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@@H]1CCC[N@H+](C[C@H]([NH3+])CC(F)F)[C@H]1C ZINC000393728922 710670500 /nfs/dbraw/zinc/67/05/00/710670500.db2.gz LHLGKFPIHFQZRU-KXUCPTDWSA-N 2 1 220.307 2.089 20 0 BEADMP C[NH+](C)[C@H](C[NH2+]C1CC2(CCC2)C1)C1CC1 ZINC000381712175 710682750 /nfs/dbraw/zinc/68/27/50/710682750.db2.gz KLTILZRYBSZUPK-CYBMUJFWSA-N 2 1 222.376 2.249 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000723077904 710724620 /nfs/dbraw/zinc/72/46/20/710724620.db2.gz JILRUKUCDOWWAK-ZBBUEOHVSA-N 2 1 222.376 2.247 20 0 BEADMP Cc1ccccc1OCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723669334 710731339 /nfs/dbraw/zinc/73/13/39/710731339.db2.gz HPZGQECYCWJSLQ-CQSZACIVSA-N 2 1 248.370 2.045 20 0 BEADMP C[C@@H]1C[C@H](C)CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000723780923 710731733 /nfs/dbraw/zinc/73/17/33/710731733.db2.gz WUPKDLYRXQEAOT-SYQHCUMBSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@H]1OCC[N@@H+](CCCCCCC[NH3+])[C@@H]1C ZINC000380492804 712901370 /nfs/dbraw/zinc/90/13/70/712901370.db2.gz AYTFQNFSUKSUIY-CHWSQXEVSA-N 2 1 228.380 2.005 20 0 BEADMP CC(C)(C)[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000380612379 712901808 /nfs/dbraw/zinc/90/18/08/712901808.db2.gz YMTHLMKMMAUMHQ-ZJUUUORDSA-N 2 1 234.334 2.337 20 0 BEADMP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H]1C)[NH+]1CCCC1 ZINC000380604219 712901932 /nfs/dbraw/zinc/90/19/32/712901932.db2.gz WCIMJQJDANTJDE-MJBXVCDLSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000383994985 710987250 /nfs/dbraw/zinc/98/72/50/710987250.db2.gz AATPGSLGIGAVAH-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)[C@@H]1C ZINC000380702836 712902567 /nfs/dbraw/zinc/90/25/67/712902567.db2.gz XSIZJJVEFUAALL-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP Cc1ccccc1C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000385621025 711016810 /nfs/dbraw/zinc/01/68/10/711016810.db2.gz QFEBPGWMLUAOMJ-GVRJEKJASA-N 2 1 242.366 2.081 20 0 BEADMP CSC(C)(C)CC[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000385843228 711018242 /nfs/dbraw/zinc/01/82/42/711018242.db2.gz OBSJVFUHIXUMPK-LBPRGKRZSA-N 2 1 244.448 2.450 20 0 BEADMP CC(C)[C@@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000389668972 711085636 /nfs/dbraw/zinc/08/56/36/711085636.db2.gz SJKUAHWRFHJXTG-UWVGGRQHSA-N 2 1 220.307 2.089 20 0 BEADMP C[C@@H]1C[N@@H+](CCCC(C)(F)F)CC[C@@H]1[NH3+] ZINC000390067680 711104548 /nfs/dbraw/zinc/10/45/48/711104548.db2.gz DIHZGKAVIFLIAG-ZJUUUORDSA-N 2 1 220.307 2.091 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCC(C)(F)F ZINC000390075489 711104923 /nfs/dbraw/zinc/10/49/23/711104923.db2.gz SMNJGKDMCGNMTO-NXEZZACHSA-N 2 1 220.307 2.233 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCC3CC3)C[C@@H]21 ZINC000394594342 711195281 /nfs/dbraw/zinc/19/52/81/711195281.db2.gz GCIREFZQGXBDIT-MELADBBJSA-N 2 1 222.376 2.236 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000396615729 711361852 /nfs/dbraw/zinc/36/18/52/711361852.db2.gz GEPNKVHGGKTQNG-BDAKNGLRSA-N 2 1 224.270 2.059 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000396570683 711353459 /nfs/dbraw/zinc/35/34/59/711353459.db2.gz LESRLRDMRVBBSK-SRVKXCTJSA-N 2 1 228.405 2.002 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1cccs1 ZINC000396548835 711353600 /nfs/dbraw/zinc/35/36/00/711353600.db2.gz DDXSYJKROMJPHO-CMPLNLGQSA-N 2 1 224.373 2.021 20 0 BEADMP CSC1(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)CCC1 ZINC000396541579 711353976 /nfs/dbraw/zinc/35/39/76/711353976.db2.gz ATDKCCVTFAWOSI-MNOVXSKESA-N 2 1 228.405 2.002 20 0 BEADMP CS[C@@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)C1 ZINC000396570679 711356007 /nfs/dbraw/zinc/35/60/07/711356007.db2.gz LESJISNXQSHQNP-YFKTTZPYSA-N 2 1 228.405 2.001 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1=CCCCC1 ZINC000396708647 711367570 /nfs/dbraw/zinc/36/75/70/711367570.db2.gz OJZIXGQYSRIUDW-YPMHNXCESA-N 2 1 208.349 2.217 20 0 BEADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396725680 711368247 /nfs/dbraw/zinc/36/82/47/711368247.db2.gz VYJXRHSHARTTLC-YVECIDJPSA-N 2 1 210.365 2.153 20 0 BEADMP CO[C@@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000386019271 711020278 /nfs/dbraw/zinc/02/02/78/711020278.db2.gz WRTCWLMSDQTGSF-HIFRSBDPSA-N 2 1 248.370 2.045 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000396726036 711369133 /nfs/dbraw/zinc/36/91/33/711369133.db2.gz WDNQANXTSQJNOB-IINYFYTJSA-N 2 1 222.376 2.153 20 0 BEADMP CC(C)C[C@H]1CCC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000396964927 711374426 /nfs/dbraw/zinc/37/44/26/711374426.db2.gz DCDFVDCNAOAGQH-GHMZBOCLSA-N 2 1 234.334 2.479 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCSC(C)(C)C ZINC000397268825 711381239 /nfs/dbraw/zinc/38/12/39/711381239.db2.gz MVMHFZZJTDCBQU-GHMZBOCLSA-N 2 1 230.421 2.248 20 0 BEADMP CCC[N@@H+](C[C@@H]1C[C@H]1CC)C1CC[NH2+]CC1 ZINC000723089360 711501892 /nfs/dbraw/zinc/50/18/92/711501892.db2.gz POGZRLKQIAWKKV-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000723126403 711506561 /nfs/dbraw/zinc/50/65/61/711506561.db2.gz JDTBEXNKZSKIJI-MBJXGIAVSA-N 2 1 222.376 2.092 20 0 BEADMP Cc1cccc(OCC[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000723670434 711533425 /nfs/dbraw/zinc/53/34/25/711533425.db2.gz RKUUXDHUZOABCT-CQSZACIVSA-N 2 1 248.370 2.045 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723678357 711533834 /nfs/dbraw/zinc/53/38/34/711533834.db2.gz JZZPOORMCCEWGF-MCIONIFRSA-N 2 1 224.392 2.483 20 0 BEADMP COCc1cccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000723690525 711534020 /nfs/dbraw/zinc/53/40/20/711534020.db2.gz QVSBAXMNTQOUDZ-CYBMUJFWSA-N 2 1 248.370 2.004 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1C ZINC000723690543 711534276 /nfs/dbraw/zinc/53/42/76/711534276.db2.gz RLQWWWPDZTWOFH-CYBMUJFWSA-N 2 1 248.370 2.174 20 0 BEADMP Cc1ccsc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723713252 711536092 /nfs/dbraw/zinc/53/60/92/711536092.db2.gz WJDPWDIABDUDNU-NSHDSACASA-N 2 1 224.373 2.227 20 0 BEADMP Cc1cc(C)nc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000723846368 711539082 /nfs/dbraw/zinc/53/90/82/711539082.db2.gz RGEKRTOFARIMDP-AWEZNQCLSA-N 2 1 247.386 2.259 20 0 BEADMP Cc1cc(C)nc(C[NH+]2CCC(C)([NH3+])CC2)c1 ZINC000723879133 711542122 /nfs/dbraw/zinc/54/21/22/711542122.db2.gz LCJFSEXVVWTYNN-UHFFFAOYSA-N 2 1 233.359 2.012 20 0 BEADMP COc1ccccc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723901458 711544872 /nfs/dbraw/zinc/54/48/72/711544872.db2.gz OXHUDEPMDBWUDI-CHWSQXEVSA-N 2 1 248.370 2.112 20 0 BEADMP Cc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723910291 711544920 /nfs/dbraw/zinc/54/49/20/711544920.db2.gz UIFDGZSUZNIHTE-UKRRQHHQSA-N 2 1 232.371 2.412 20 0 BEADMP C[N@@H+](CCCF)CCCCCCC[NH3+] ZINC000716752657 711580979 /nfs/dbraw/zinc/58/09/79/711580979.db2.gz JOIKVJVIQUGCFA-UHFFFAOYSA-N 2 1 204.333 2.187 20 0 BEADMP C[C@@H](Cc1ccco1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925604849 711704939 /nfs/dbraw/zinc/70/49/39/711704939.db2.gz AUZFTLWTICUOQQ-AAEUAGOBSA-N 2 1 234.343 2.085 20 0 BEADMP C(C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)C1CCCC1 ZINC000335009506 711719306 /nfs/dbraw/zinc/71/93/06/711719306.db2.gz OOSYJZQSDHVLFQ-AWEZNQCLSA-N 2 1 222.376 2.395 20 0 BEADMP C(C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)C1CCCC1 ZINC000335009506 711719308 /nfs/dbraw/zinc/71/93/08/711719308.db2.gz OOSYJZQSDHVLFQ-AWEZNQCLSA-N 2 1 222.376 2.395 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1CCC=CCC1 ZINC000925880242 711762082 /nfs/dbraw/zinc/76/20/82/711762082.db2.gz HOUWTKHTYMHFIC-TZMCWYRMSA-N 2 1 222.376 2.320 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C2CC(SC)C2)[C@H](C)C1 ZINC000925170342 711786424 /nfs/dbraw/zinc/78/64/24/711786424.db2.gz MPAZCTVLTBBWCJ-XVSSEFHLSA-N 2 1 242.432 2.200 20 0 BEADMP Cc1cccc(C)c1C[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000159763629 711804668 /nfs/dbraw/zinc/80/46/68/711804668.db2.gz VPTICNVNYSXHKU-HNNXBMFYSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1cccc(C)c1C[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000159763629 711804669 /nfs/dbraw/zinc/80/46/69/711804669.db2.gz VPTICNVNYSXHKU-HNNXBMFYSA-N 2 1 232.371 2.473 20 0 BEADMP [NH3+]CC[C@H]1CCC[N@@H+](CCc2cccs2)C1 ZINC000069724371 711893591 /nfs/dbraw/zinc/89/35/91/711893591.db2.gz UXCIXTVAACPFQC-GFCCVEGCSA-N 2 1 238.400 2.351 20 0 BEADMP COC[C@@H](C[N@@H+](C)C1CCC([NH3+])CC1)C(C)C ZINC000721911906 711917602 /nfs/dbraw/zinc/91/76/02/711917602.db2.gz LCPSIWXHPIMSER-IYXRBSQSSA-N 2 1 242.407 2.107 20 0 BEADMP CC1(C)CC(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000530219203 711937786 /nfs/dbraw/zinc/93/77/86/711937786.db2.gz OPDSMGFERGUNJT-OAHLLOKOSA-N 2 1 236.403 2.498 20 0 BEADMP CC[C@@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000700239998 711988178 /nfs/dbraw/zinc/98/81/78/711988178.db2.gz ZLVFKYMPDKSVLD-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccoc2)C1 ZINC000700806233 712006964 /nfs/dbraw/zinc/00/69/64/712006964.db2.gz YKGGZDVMYLXIBR-LBPRGKRZSA-N 2 1 222.332 2.101 20 0 BEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccoc2)C1 ZINC000700806233 712006966 /nfs/dbraw/zinc/00/69/66/712006966.db2.gz YKGGZDVMYLXIBR-LBPRGKRZSA-N 2 1 222.332 2.101 20 0 BEADMP CCCCCC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000702628111 712057014 /nfs/dbraw/zinc/05/70/14/712057014.db2.gz QVBBZBWZFAFNTJ-OKILXGFUSA-N 2 1 224.392 2.498 20 0 BEADMP Cc1cc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)ccc1F ZINC000703602579 712081925 /nfs/dbraw/zinc/08/19/25/712081925.db2.gz JQWJLTOSROOYNV-DZGCQCFKSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1cc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)ccc1F ZINC000703602579 712081926 /nfs/dbraw/zinc/08/19/26/712081926.db2.gz JQWJLTOSROOYNV-DZGCQCFKSA-N 2 1 248.345 2.175 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@H]1CC=CCC1 ZINC000706881134 712158468 /nfs/dbraw/zinc/15/84/68/712158468.db2.gz NMENCDPCSPJBDH-IHRRRGAJSA-N 2 1 222.376 2.463 20 0 BEADMP C[C@H](C[N@@H+](C)CCC[NH3+])CC(C)(C)C ZINC000708315136 712186301 /nfs/dbraw/zinc/18/63/01/712186301.db2.gz SRXBGHWLIOQFBY-NSHDSACASA-N 2 1 200.370 2.339 20 0 BEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CCC(F)(F)C1)C2 ZINC000709843660 712229507 /nfs/dbraw/zinc/22/95/07/712229507.db2.gz NKROAILBWKIFON-KXNHARMFSA-N 2 1 244.329 2.233 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])CCC1CCOCC1 ZINC000710751478 712256408 /nfs/dbraw/zinc/25/64/08/712256408.db2.gz SJNWIODHFYIWKT-UHFFFAOYSA-N 2 1 242.407 2.254 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](CF)C1 ZINC000711484471 712306561 /nfs/dbraw/zinc/30/65/61/712306561.db2.gz MIAAYJUXWWWXRJ-GFCCVEGCSA-N 2 1 216.344 2.187 20 0 BEADMP C1=C[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000711721301 712322367 /nfs/dbraw/zinc/32/23/67/712322367.db2.gz ZLCRWUZHVPINAT-GFCCVEGCSA-N 2 1 220.360 2.169 20 0 BEADMP C[C@H]1c2sccc2CC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000712263441 712345077 /nfs/dbraw/zinc/34/50/77/712345077.db2.gz HMKZIFCVDRJGEU-WDEREUQCSA-N 2 1 236.384 2.277 20 0 BEADMP C[C@@H]1CSCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000379538600 712387665 /nfs/dbraw/zinc/38/76/65/712387665.db2.gz DRSYCTADWCUIAM-STQMWFEESA-N 2 1 242.432 2.061 20 0 BEADMP CC1(C)[C@@H]2C[N@H+](CCCCCCC[NH3+])C[C@@H]21 ZINC000379564320 712388398 /nfs/dbraw/zinc/38/83/98/712388398.db2.gz MTXYYIDSRLYPND-BETUJISGSA-N 2 1 224.392 2.483 20 0 BEADMP CC[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000379783116 712398833 /nfs/dbraw/zinc/39/88/33/712398833.db2.gz GUGLZUIIEOBDGJ-ZJUUUORDSA-N 2 1 220.307 2.091 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000712495599 712431332 /nfs/dbraw/zinc/43/13/32/712431332.db2.gz POHYQIRAUXRQPZ-IKOXMDCHSA-N 2 1 222.376 2.295 20 0 BEADMP COc1cccc(C[N@@H+]2CC[NH2+]CCC2(C)C)c1 ZINC000712560653 712445915 /nfs/dbraw/zinc/44/59/15/712445915.db2.gz DIUQEDMDNWLRMP-UHFFFAOYSA-N 2 1 248.370 2.269 20 0 BEADMP COc1cccc(C[N@H+]2CC[NH2+]CCC2(C)C)c1 ZINC000712560653 712445917 /nfs/dbraw/zinc/44/59/17/712445917.db2.gz DIUQEDMDNWLRMP-UHFFFAOYSA-N 2 1 248.370 2.269 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712748922 712448803 /nfs/dbraw/zinc/44/88/03/712448803.db2.gz ICCCPZAGGNXURS-AHLTXXRQSA-N 2 1 222.376 2.153 20 0 BEADMP CC[C@H](C)C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713173131 712453440 /nfs/dbraw/zinc/45/34/40/712453440.db2.gz DIMSASNJUCGBDD-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP C=C/C=C/CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000713492291 712462783 /nfs/dbraw/zinc/46/27/83/712462783.db2.gz YBNQZFUKUOKFRX-ONEGZZNKSA-N 2 1 220.360 2.335 20 0 BEADMP C=C/C=C\CC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000713700476 712469595 /nfs/dbraw/zinc/46/95/95/712469595.db2.gz CENYBCZWMXCIQY-AIMRDXAKSA-N 2 1 208.349 2.178 20 0 BEADMP C=C/C=C/CC[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000713757103 712471990 /nfs/dbraw/zinc/47/19/90/712471990.db2.gz FPZHTRUUYRGFLX-MJKAUQOVSA-N 2 1 248.292 2.188 20 0 BEADMP C[NH2+]C[C@@H]1CCCC[N@@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000714809348 712498099 /nfs/dbraw/zinc/49/80/99/712498099.db2.gz ARMXBKUYMVIMCG-ILXRZTDVSA-N 2 1 236.403 2.497 20 0 BEADMP C[NH2+]C[C@@H]1CCCC[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000714809348 712498101 /nfs/dbraw/zinc/49/81/01/712498101.db2.gz ARMXBKUYMVIMCG-ILXRZTDVSA-N 2 1 236.403 2.497 20 0 BEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C2 ZINC000714782485 712498210 /nfs/dbraw/zinc/49/82/10/712498210.db2.gz QLSWEVUNOJBDRO-YADOHIMWSA-N 2 1 234.387 2.234 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCS2)CC[N@H+]1C ZINC000715603384 712527668 /nfs/dbraw/zinc/52/76/68/712527668.db2.gz PZIIYVAFCABIHT-UPJWGTAASA-N 2 1 242.432 2.344 20 0 BEADMP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000716629510 712568229 /nfs/dbraw/zinc/56/82/29/712568229.db2.gz WMBHTKJQTPYJPW-AVRGHOLYSA-N 2 1 248.414 2.495 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCC2CC2)C1 ZINC000813335343 712587831 /nfs/dbraw/zinc/58/78/31/712587831.db2.gz AHENPZUPACKVIL-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCC2CC2)C1 ZINC000813335343 712587833 /nfs/dbraw/zinc/58/78/33/712587833.db2.gz AHENPZUPACKVIL-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCC2CC2)C1 ZINC000813335343 712587834 /nfs/dbraw/zinc/58/78/34/712587834.db2.gz AHENPZUPACKVIL-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CC1([NH2+]C[C@H]([NH3+])CC(F)F)CCCCC1 ZINC000379994370 712645275 /nfs/dbraw/zinc/64/52/75/712645275.db2.gz ZIPKXACUTFOOKK-SECBINFHSA-N 2 1 220.307 2.281 20 0 BEADMP CC(C)Cc1ccc([C@H](C)[NH2+]CC[NH3+])cc1 ZINC000037712466 712744801 /nfs/dbraw/zinc/74/48/01/712744801.db2.gz IXMKMZBESGGBFP-LBPRGKRZSA-N 2 1 220.360 2.494 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC000037741974 712753644 /nfs/dbraw/zinc/75/36/44/712753644.db2.gz WUAWHUYYQJUGFE-CYBMUJFWSA-N 2 1 210.365 2.237 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC000037741975 712753654 /nfs/dbraw/zinc/75/36/54/712753654.db2.gz WUAWHUYYQJUGFE-ZDUSSCGKSA-N 2 1 210.365 2.237 20 0 BEADMP C[C@@H]1CC[N@@H+](CCCC(C)(F)F)C[C@@H]1C[NH3+] ZINC000718570264 712775078 /nfs/dbraw/zinc/77/50/78/712775078.db2.gz JJFKHMLOJIXFSL-MNOVXSKESA-N 2 1 234.334 2.339 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCCC(C)(F)F)C1 ZINC000718710772 712778362 /nfs/dbraw/zinc/77/83/62/712778362.db2.gz XXMGTYVCLJURJV-GHMZBOCLSA-N 2 1 234.334 2.481 20 0 BEADMP C[NH+]1CCC([NH2+]CC2(C)CC(F)(F)C2)CC1 ZINC000720910613 712877585 /nfs/dbraw/zinc/87/75/85/712877585.db2.gz APVLLQRPLOPDEK-UHFFFAOYSA-N 2 1 232.318 2.106 20 0 BEADMP Cc1cc(C)[nH+]c(N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC001165035680 721885714 /nfs/dbraw/zinc/88/57/14/721885714.db2.gz NSVXRPVKDGGTEG-CYBMUJFWSA-N 2 1 233.359 2.229 20 0 BEADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cc2[nH]ccc2c[nH+]1 ZINC001164633108 719161898 /nfs/dbraw/zinc/16/18/98/719161898.db2.gz GQCPUZRVXALSJZ-QWRGUYRKSA-N 2 1 244.342 2.092 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000697043518 963667864 /nfs/dbraw/zinc/66/78/64/963667864.db2.gz WPHMLVHMZILBKJ-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@]1([NH3+])CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC001204763605 967149697 /nfs/dbraw/zinc/14/96/97/967149697.db2.gz MWGHLWWAIMSYRG-NSHDSACASA-N 2 1 232.318 2.235 20 0 BEADMP C[C@]1([NH3+])CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC001204763605 967149708 /nfs/dbraw/zinc/14/97/08/967149708.db2.gz MWGHLWWAIMSYRG-NSHDSACASA-N 2 1 232.318 2.235 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205983999 967931891 /nfs/dbraw/zinc/93/18/91/967931891.db2.gz QUDZGQLMXXNTMC-OLZOCXBDSA-N 2 1 212.381 2.339 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1[NH3+] ZINC001206049833 968012917 /nfs/dbraw/zinc/01/29/17/968012917.db2.gz SETXZSJVPRAJEX-MWLCHTKSSA-N 2 1 232.318 2.091 20 0 BEADMP C[NH2+]CC[C@@H]1CCCC[N@H+]1CC1CCC1 ZINC000083839995 1165934395 /nfs/dbraw/zinc/93/43/95/1165934395.db2.gz QVGJUZIJYZOTRL-ZDUSSCGKSA-N 2 1 210.365 2.251 20 0 BEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC000083912473 1165938415 /nfs/dbraw/zinc/93/84/15/1165938415.db2.gz LNSYBMVIOZERPV-YHWZYXNKSA-N 2 1 208.349 2.001 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+]CC1(O)CCCCC1 ZINC000226389984 1165972754 /nfs/dbraw/zinc/97/27/54/1165972754.db2.gz ZHPWJSYACADDDB-UHFFFAOYSA-N 2 1 242.407 2.002 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000723098558 1166029301 /nfs/dbraw/zinc/02/93/01/1166029301.db2.gz SZDNBIDOJJAYSC-SYAUCNOPSA-N 2 1 244.382 2.459 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000723098558 1166029306 /nfs/dbraw/zinc/02/93/06/1166029306.db2.gz SZDNBIDOJJAYSC-SYAUCNOPSA-N 2 1 244.382 2.459 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207275797 968710449 /nfs/dbraw/zinc/71/04/49/968710449.db2.gz PQIZGSCZMANBSA-GFCCVEGCSA-N 2 1 212.381 2.306 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001207286508 968720105 /nfs/dbraw/zinc/72/01/05/968720105.db2.gz VLYRCCJIKGDRPF-LBPRGKRZSA-N 2 1 246.345 2.305 20 0 BEADMP CC(C)(C)CCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000300827604 1166149580 /nfs/dbraw/zinc/14/95/80/1166149580.db2.gz HUGPGQRMNYIBTI-GFCCVEGCSA-N 2 1 212.381 2.483 20 0 BEADMP CCCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC000390756979 1166187819 /nfs/dbraw/zinc/18/78/19/1166187819.db2.gz ILLCZAYBCNUUCG-UHFFFAOYSA-N 2 1 210.365 2.252 20 0 BEADMP CCC(CC)C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000129460525 1166189236 /nfs/dbraw/zinc/18/92/36/1166189236.db2.gz QAGNUCZIAIXAJQ-UHFFFAOYSA-N 2 1 242.407 2.123 20 0 BEADMP CC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000227633912 1166223540 /nfs/dbraw/zinc/22/35/40/1166223540.db2.gz PXTPTNZDRPHLES-KGLIPLIRSA-N 2 1 218.344 2.041 20 0 BEADMP CC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC000227633912 1166223547 /nfs/dbraw/zinc/22/35/47/1166223547.db2.gz PXTPTNZDRPHLES-KGLIPLIRSA-N 2 1 218.344 2.041 20 0 BEADMP C[NH+](C)CC1(C[N@@H+](C)CC2CC2)CCCC1 ZINC001208182016 969112308 /nfs/dbraw/zinc/11/23/08/969112308.db2.gz KMROHLRCNXOAPH-UHFFFAOYSA-N 2 1 224.392 2.450 20 0 BEADMP Cc1cc[nH+]c(C)c1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000304584278 969144541 /nfs/dbraw/zinc/14/45/41/969144541.db2.gz STADDPMCWKKBNQ-VXGBXAGGSA-N 2 1 219.332 2.380 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]3C[C@H]32)CC1 ZINC001208602871 969157562 /nfs/dbraw/zinc/15/75/62/969157562.db2.gz PSYIBIVOJIBYKW-UONOGXRCSA-N 2 1 222.376 2.203 20 0 BEADMP CC[NH+]1CCC(C[N@@H+](C)CCC2CC2)CC1 ZINC001208601732 969157987 /nfs/dbraw/zinc/15/79/87/969157987.db2.gz RTTGDEYOHGTAIP-UHFFFAOYSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)[C@@H](C)[C@H]1C ZINC000399640126 1166248854 /nfs/dbraw/zinc/24/88/54/1166248854.db2.gz XFCSWCROQSJSNW-AGIUHOORSA-N 2 1 224.392 2.352 20 0 BEADMP CCC[N@H+](CC1CC1)C[C@H]1CCC[NH+](C)C1 ZINC001208604385 969156498 /nfs/dbraw/zinc/15/64/98/969156498.db2.gz NZDFQCVDXUWTBN-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[N@@H+](CC1CC1)C[C@H]1CCC[NH+](C)C1 ZINC001208604385 969156501 /nfs/dbraw/zinc/15/65/01/969156501.db2.gz NZDFQCVDXUWTBN-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[NH+](CC1CC1)C[C@H]1CCC[N@H+](C)C1 ZINC001208604385 969156506 /nfs/dbraw/zinc/15/65/06/969156506.db2.gz NZDFQCVDXUWTBN-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[NH+](CC1CC1)C[C@H]1CCC[N@@H+](C)C1 ZINC001208604385 969156511 /nfs/dbraw/zinc/15/65/11/969156511.db2.gz NZDFQCVDXUWTBN-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C)C1 ZINC000227667479 1166249378 /nfs/dbraw/zinc/24/93/78/1166249378.db2.gz ZYNHTDVDEFQBMC-HUUCEWRRSA-N 2 1 232.371 2.301 20 0 BEADMP CC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]([NH2+]C)C1 ZINC000227667479 1166249387 /nfs/dbraw/zinc/24/93/87/1166249387.db2.gz ZYNHTDVDEFQBMC-HUUCEWRRSA-N 2 1 232.371 2.301 20 0 BEADMP C[N@@H+](C[C@@H]1CC1(C)C)C[C@H]1CCC[NH+](C)C1 ZINC001208607576 969162018 /nfs/dbraw/zinc/16/20/18/969162018.db2.gz DDHQDWOCYUXIQC-STQMWFEESA-N 2 1 224.392 2.306 20 0 BEADMP C[NH+](C[C@@H]1CC1(C)C)C[C@H]1CCC[N@H+](C)C1 ZINC001208607576 969162026 /nfs/dbraw/zinc/16/20/26/969162026.db2.gz DDHQDWOCYUXIQC-STQMWFEESA-N 2 1 224.392 2.306 20 0 BEADMP C[NH+](C[C@@H]1CC1(C)C)C[C@H]1CCC[N@@H+](C)C1 ZINC001208607576 969162035 /nfs/dbraw/zinc/16/20/35/969162035.db2.gz DDHQDWOCYUXIQC-STQMWFEESA-N 2 1 224.392 2.306 20 0 BEADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@](C)(F)C2)C1 ZINC001208607640 969163649 /nfs/dbraw/zinc/16/36/49/969163649.db2.gz MGQUZJLZCQXHRY-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@](C)(F)C2)C1 ZINC001208607640 969163652 /nfs/dbraw/zinc/16/36/52/969163652.db2.gz MGQUZJLZCQXHRY-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@](C)(F)C2)C1 ZINC001208607640 969163657 /nfs/dbraw/zinc/16/36/57/969163657.db2.gz MGQUZJLZCQXHRY-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@](C)(F)C2)C1 ZINC001208607640 969163662 /nfs/dbraw/zinc/16/36/62/969163662.db2.gz MGQUZJLZCQXHRY-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP CCO[C@@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207285216 1166273013 /nfs/dbraw/zinc/27/30/13/1166273013.db2.gz DFMZUJRECBXWFE-CYBMUJFWSA-N 2 1 242.407 2.075 20 0 BEADMP CCCCC[C@@H](O)C[N@@H+](CC)CCC[NH+](C)C ZINC001253540542 969212155 /nfs/dbraw/zinc/21/21/55/969212155.db2.gz FIYKEFJNKVNPFP-CQSZACIVSA-N 2 1 244.423 2.201 20 0 BEADMP CCCCC[C@H](O)C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001253549799 969221464 /nfs/dbraw/zinc/22/14/64/969221464.db2.gz GCEBBQNWXWIKLB-KBPBESRZSA-N 2 1 242.407 2.002 20 0 BEADMP CC[N@H+](Cc1ccncc1)C[C@H]1CC[C@@H]([NH3+])C1 ZINC000227797956 1166327535 /nfs/dbraw/zinc/32/75/35/1166327535.db2.gz VOGBQRUCORNPQX-UONOGXRCSA-N 2 1 233.359 2.031 20 0 BEADMP C[N@H+](Cc1ccccc1F)C[C@H]1CC[C@@H]([NH3+])C1 ZINC000227803672 1166330257 /nfs/dbraw/zinc/33/02/57/1166330257.db2.gz VDQIPAVMHKRSTJ-WCQYABFASA-N 2 1 236.334 2.385 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]3CCC[C@H]32)C[NH2+]1 ZINC000228018615 1166379964 /nfs/dbraw/zinc/37/99/64/1166379964.db2.gz VEUCWUGYRDUPKE-ZOBORPQBSA-N 2 1 222.376 2.391 20 0 BEADMP CC[N@H+](C(C)C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123949 969421446 /nfs/dbraw/zinc/42/14/46/969421446.db2.gz NSBCIVNAOVATSL-ITGUQSILSA-N 2 1 210.365 2.342 20 0 BEADMP CC[N@@H+](C(C)C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123949 969421455 /nfs/dbraw/zinc/42/14/55/969421455.db2.gz NSBCIVNAOVATSL-ITGUQSILSA-N 2 1 210.365 2.342 20 0 BEADMP CC[NH+](C(C)C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169123949 969421463 /nfs/dbraw/zinc/42/14/63/969421463.db2.gz NSBCIVNAOVATSL-ITGUQSILSA-N 2 1 210.365 2.342 20 0 BEADMP CC[NH+](C(C)C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169123949 969421473 /nfs/dbraw/zinc/42/14/73/969421473.db2.gz NSBCIVNAOVATSL-ITGUQSILSA-N 2 1 210.365 2.342 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H](C)C2)C1 ZINC000253182779 1166407415 /nfs/dbraw/zinc/40/74/15/1166407415.db2.gz GDDKHENKRRFJEC-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CC=CCC1)C2 ZINC001169115629 969457774 /nfs/dbraw/zinc/45/77/74/969457774.db2.gz LSDHQZBBRRRMPY-SYQHCUMBSA-N 2 1 220.360 2.310 20 0 BEADMP CCC(CC)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000250788640 1166429991 /nfs/dbraw/zinc/42/99/91/1166429991.db2.gz YCGMGHQKLDRPCR-XYYAHUGASA-N 2 1 210.365 2.390 20 0 BEADMP C[N@H+]1CCC[C@H](NC(=[NH2+])C(C)(C)C)CC1 ZINC001254499711 969657007 /nfs/dbraw/zinc/65/70/07/969657007.db2.gz OFLIPKXWOPFZFR-JTQLQIEISA-N 2 1 211.353 2.084 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CC[C@@H](F)C2)CC1 ZINC001254497631 969658239 /nfs/dbraw/zinc/65/82/39/969658239.db2.gz LUQLVJDLVBIWTK-JHJVBQTASA-N 2 1 228.355 2.199 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001254499208 969662533 /nfs/dbraw/zinc/66/25/33/969662533.db2.gz COOIREBYZWWATD-NWDGAFQWSA-N 2 1 246.345 2.496 20 0 BEADMP C[N@@H+]1CCC[C@H]([NH+]2CC3(C2)CC(F)(F)C3)CC1 ZINC001254516011 969684949 /nfs/dbraw/zinc/68/49/49/969684949.db2.gz IOOQELXPCZQYSJ-NSHDSACASA-N 2 1 244.329 2.202 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2CC3(C2)CC(F)(F)C3)CC1 ZINC001254516011 969684955 /nfs/dbraw/zinc/68/49/55/969684955.db2.gz IOOQELXPCZQYSJ-NSHDSACASA-N 2 1 244.329 2.202 20 0 BEADMP CC[C@@H]1CC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254534599 969732702 /nfs/dbraw/zinc/73/27/02/969732702.db2.gz YCQPUWBEDCTCOA-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@@H]1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254534599 969732711 /nfs/dbraw/zinc/73/27/11/969732711.db2.gz YCQPUWBEDCTCOA-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@@H]1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254534599 969732719 /nfs/dbraw/zinc/73/27/19/969732719.db2.gz YCQPUWBEDCTCOA-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP C(=C/C1CC1)\C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000378861345 1166563641 /nfs/dbraw/zinc/56/36/41/1166563641.db2.gz QVVGXEKHXSEPPN-JLAUGEKOSA-N 2 1 220.360 2.169 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001170098025 970266114 /nfs/dbraw/zinc/26/61/14/970266114.db2.gz JSPHJAIIQVNIML-YHQUGGNUSA-N 2 1 222.376 2.390 20 0 BEADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CCOC(C)(C)C1 ZINC001255527346 970290671 /nfs/dbraw/zinc/29/06/71/970290671.db2.gz KDKGTXUYXAOMKR-GFCCVEGCSA-N 2 1 228.380 2.003 20 0 BEADMP Cc1ccc(C[C@H](C)[NH2+]C(C)(C)C[NH3+])cc1 ZINC001255771553 970474803 /nfs/dbraw/zinc/47/48/03/970474803.db2.gz BFHCIVTYENXTPG-LBPRGKRZSA-N 2 1 220.360 2.253 20 0 BEADMP CC[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000252968675 1166774155 /nfs/dbraw/zinc/77/41/55/1166774155.db2.gz YSHLPAJQSFDQCS-JHJVBQTASA-N 2 1 210.365 2.249 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)CC1CC1 ZINC001255954870 970586602 /nfs/dbraw/zinc/58/66/02/970586602.db2.gz JQAAFGCBOVZXRG-GFCCVEGCSA-N 2 1 212.381 2.449 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)C(C)C ZINC001255955105 970589509 /nfs/dbraw/zinc/58/95/09/970589509.db2.gz NZEUJOGZKPPLLW-LBPRGKRZSA-N 2 1 200.370 2.447 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H](C)C1 ZINC001255956750 970595447 /nfs/dbraw/zinc/59/54/47/970595447.db2.gz MCXFSMOPAAOKLB-OLZOCXBDSA-N 2 1 212.381 2.449 20 0 BEADMP CCCC[N@@H+](C)C1CC[NH+](C2CC2)CC1 ZINC001256072306 970644856 /nfs/dbraw/zinc/64/48/56/970644856.db2.gz AWVCUHLABIRHPD-UHFFFAOYSA-N 2 1 210.365 2.345 20 0 BEADMP C(C[NH2+][C@@H]1CCC[NH2+]C1)CC1CCCC1 ZINC000225110463 1166919077 /nfs/dbraw/zinc/91/90/77/1166919077.db2.gz MRKURUCZEDZGQG-CYBMUJFWSA-N 2 1 210.365 2.298 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C(F)(F)F)C2)CC[NH2+]1 ZINC000304455511 1166919347 /nfs/dbraw/zinc/91/93/47/1166919347.db2.gz WWQURMTUVKPSSM-BBBLOLIVSA-N 2 1 236.281 2.011 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C(F)(F)F)C2)CC[NH2+]1 ZINC000304455511 1166919358 /nfs/dbraw/zinc/91/93/58/1166919358.db2.gz WWQURMTUVKPSSM-BBBLOLIVSA-N 2 1 236.281 2.011 20 0 BEADMP C[NH+]1CCC([NH+]2C[C@@H]3CCCC[C@H]3C2)CC1 ZINC001256202566 970703102 /nfs/dbraw/zinc/70/31/02/970703102.db2.gz GYVRTCOSCBRMNK-STQMWFEESA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC([N@H+]2CC[C@H]3CCC[C@@H]3C2)CC1 ZINC001256205054 970706884 /nfs/dbraw/zinc/70/68/84/970706884.db2.gz VKGULSPKSARELR-CHWSQXEVSA-N 2 1 222.376 2.203 20 0 BEADMP CN1CCC([N@H+]2CCC[C@@H](C(F)F)C2)CC1 ZINC001256207391 970710439 /nfs/dbraw/zinc/71/04/39/970710439.db2.gz HJIUHWZTWWLNIQ-SNVBAGLBSA-N 2 1 232.318 2.058 20 0 BEADMP C[NH+]1CCC([N@@H+]2CCC[C@@H](C(F)F)C2)CC1 ZINC001256207391 970710453 /nfs/dbraw/zinc/71/04/53/970710453.db2.gz HJIUHWZTWWLNIQ-SNVBAGLBSA-N 2 1 232.318 2.058 20 0 BEADMP C[NH+]1CCC([N@H+]2CCC[C@@H](C(F)F)C2)CC1 ZINC001256207391 970710457 /nfs/dbraw/zinc/71/04/57/970710457.db2.gz HJIUHWZTWWLNIQ-SNVBAGLBSA-N 2 1 232.318 2.058 20 0 BEADMP CN1CCC([N@H+]2CCc3ccsc3C2)CC1 ZINC001256207379 970714560 /nfs/dbraw/zinc/71/45/60/970714560.db2.gz GMSFIKADAHNEEY-UHFFFAOYSA-N 2 1 236.384 2.200 20 0 BEADMP C[NH+]1CCC(N2CCc3ccsc3C2)CC1 ZINC001256207379 970714569 /nfs/dbraw/zinc/71/45/69/970714569.db2.gz GMSFIKADAHNEEY-UHFFFAOYSA-N 2 1 236.384 2.200 20 0 BEADMP Cc1cnccc1CC[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000397484493 1166995055 /nfs/dbraw/zinc/99/50/55/1166995055.db2.gz AWQUZNKLDHIDTG-HNNXBMFYSA-N 2 1 249.402 2.238 20 0 BEADMP CC(C)C[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000688038037 1167024411 /nfs/dbraw/zinc/02/44/11/1167024411.db2.gz GXDWXXOCSAXCEB-UHFFFAOYSA-N 2 1 238.400 2.482 20 0 BEADMP CCSC[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001173293203 975170170 /nfs/dbraw/zinc/17/01/70/975170170.db2.gz YQNWEHVLURYLST-QWHCGFSZSA-N 2 1 244.448 2.450 20 0 BEADMP CCSC[C@@H](C)n1cc[nH+]c1CCC[NH3+] ZINC001173301251 975194322 /nfs/dbraw/zinc/19/43/22/975194322.db2.gz KOJDJBINMMJNFE-SNVBAGLBSA-N 2 1 227.377 2.089 20 0 BEADMP Cc1sccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206200441 975376403 /nfs/dbraw/zinc/37/64/03/975376403.db2.gz RPYGJNMGQYKAIO-VXGBXAGGSA-N 2 1 242.363 2.318 20 0 BEADMP COc1ccc(CC[C@H](C)[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000257362712 1167165435 /nfs/dbraw/zinc/16/54/35/1167165435.db2.gz PXWRKOAPKOUWHX-GXTWGEPZSA-N 2 1 248.370 2.049 20 0 BEADMP COc1ccc(CC[C@H](C)[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000257362712 1167165437 /nfs/dbraw/zinc/16/54/37/1167165437.db2.gz PXWRKOAPKOUWHX-GXTWGEPZSA-N 2 1 248.370 2.049 20 0 BEADMP C[C@@]1([NH3+])CC[N@H+](CCCC2CCCC2)C1 ZINC001204763923 1167185627 /nfs/dbraw/zinc/18/56/27/1167185627.db2.gz SPWNWCMJZUEUCS-CYBMUJFWSA-N 2 1 210.365 2.380 20 0 BEADMP C[C@@]1([NH3+])CC[N@@H+](CCCC2CCCC2)C1 ZINC001204763923 1167185630 /nfs/dbraw/zinc/18/56/30/1167185630.db2.gz SPWNWCMJZUEUCS-CYBMUJFWSA-N 2 1 210.365 2.380 20 0 BEADMP CC(C)C[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000308832363 1167202745 /nfs/dbraw/zinc/20/27/45/1167202745.db2.gz UTLLHFQVUMCFIG-MROQNXINSA-N 2 1 212.381 2.397 20 0 BEADMP C1CCC2(C1)CC[N@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC000308955095 1167228221 /nfs/dbraw/zinc/22/82/21/1167228221.db2.gz YDUWCYWSKGBPRB-GFCCVEGCSA-N 2 1 208.349 2.005 20 0 BEADMP CC(C)CC[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC000309072651 1167246522 /nfs/dbraw/zinc/24/65/22/1167246522.db2.gz GHSKHUYQEIPJOT-QWHCGFSZSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000309172991 1167261505 /nfs/dbraw/zinc/26/15/05/1167261505.db2.gz LTPKBFFOBJVNOX-XQQFMLRXSA-N 2 1 212.381 2.495 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2csc(C)c2)C1 ZINC000309360748 1167295459 /nfs/dbraw/zinc/29/54/59/1167295459.db2.gz ZJGWACVZSMJOHO-LBPRGKRZSA-N 2 1 238.400 2.488 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2csc(C)c2)C1 ZINC000309360748 1167295466 /nfs/dbraw/zinc/29/54/66/1167295466.db2.gz ZJGWACVZSMJOHO-LBPRGKRZSA-N 2 1 238.400 2.488 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)nc1 ZINC000134391244 1167328516 /nfs/dbraw/zinc/32/85/16/1167328516.db2.gz VEEMUXMQNLMNDY-ZFWWWQNUSA-N 2 1 247.386 2.352 20 0 BEADMP C[C@H]1CC([N@H+]2CC[C@]3(CC[NH2+]C3)C2)C[C@H](C)C1 ZINC000310143891 1167423354 /nfs/dbraw/zinc/42/33/54/1167423354.db2.gz DUSUNTAUQCIRJV-NFAWXSAZSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3F)CC[C@H]1[NH3+] ZINC000251617090 1167449746 /nfs/dbraw/zinc/44/97/46/1167449746.db2.gz DTEYCLRRZGABKQ-KMUNFCNLSA-N 2 1 248.345 2.482 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC000251799936 1167460363 /nfs/dbraw/zinc/46/03/63/1167460363.db2.gz LXQXEXNCOGRKQX-SYQHCUMBSA-N 2 1 224.392 2.352 20 0 BEADMP Cc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000689733037 1167463562 /nfs/dbraw/zinc/46/35/62/1167463562.db2.gz KAJWTJXABRQFAX-AGUYFDCRSA-N 2 1 248.370 2.345 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H]2CCC[C@@H](C)C2)C1 ZINC000251931657 1167465337 /nfs/dbraw/zinc/46/53/37/1167465337.db2.gz VJDBPCSZJZHVFS-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@@H+](CC1CC[NH2+]CC1)CC1(C)CCCC1 ZINC000380694763 1167503398 /nfs/dbraw/zinc/50/33/98/1167503398.db2.gz JSIXOSYSDGXBOZ-UHFFFAOYSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000252088985 1167588634 /nfs/dbraw/zinc/58/86/34/1167588634.db2.gz DHFGMHRDZVJKGO-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP COC1(C[NH2+]CCC[N@@H+](C)CC(C)C)CCC1 ZINC001336758220 977924079 /nfs/dbraw/zinc/92/40/79/977924079.db2.gz QASYISNIZZBQES-UHFFFAOYSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@@H]1C ZINC000310397857 1167681332 /nfs/dbraw/zinc/68/13/32/1167681332.db2.gz MIFPGUTWJHAJDJ-FQKPHLNHSA-N 2 1 236.403 2.352 20 0 BEADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCCCC[C@@H]1C ZINC000226957560 1167764422 /nfs/dbraw/zinc/76/44/22/1167764422.db2.gz YQKXHYYFMKHFOQ-STQMWFEESA-N 2 1 212.381 2.482 20 0 BEADMP Cc1cccc(F)c1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205117507 1167771234 /nfs/dbraw/zinc/77/12/34/1167771234.db2.gz PRQDUWCEYMRSIL-GFCCVEGCSA-N 2 1 236.334 2.447 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CCC[C@H]([NH3+])CC2)cn1 ZINC001205117681 1167770796 /nfs/dbraw/zinc/77/07/96/1167770796.db2.gz RPUXDLGYPMVLHZ-AWEZNQCLSA-N 2 1 233.359 2.012 20 0 BEADMP [NH3+][C@@H]1CCC[N@H+](Cc2cc3ccoc3cn2)CC1 ZINC001205117551 1167771602 /nfs/dbraw/zinc/77/16/02/1167771602.db2.gz RDTRRCHCKJJPLT-GFCCVEGCSA-N 2 1 245.326 2.141 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cc3ccoc3cn2)CC1 ZINC001205117551 1167771606 /nfs/dbraw/zinc/77/16/06/1167771606.db2.gz RDTRRCHCKJJPLT-GFCCVEGCSA-N 2 1 245.326 2.141 20 0 BEADMP C1CC[C@H]2CCC[N@@H+]([C@H]3CCC[NH2+]C3)[C@@H]2C1 ZINC000252372139 1167826053 /nfs/dbraw/zinc/82/60/53/1167826053.db2.gz HBTGAYJPEGRVRI-MELADBBJSA-N 2 1 222.376 2.393 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235409751 979037072 /nfs/dbraw/zinc/03/70/72/979037072.db2.gz WUTILDPETAWHJQ-BFHYXJOUSA-N 2 1 242.382 2.446 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206542134 979647744 /nfs/dbraw/zinc/64/77/44/979647744.db2.gz SEOUNJNWKIDIHM-JHJVBQTASA-N 2 1 210.365 2.093 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+]CCOc2ccccc2)CC1 ZINC000086818955 1168311081 /nfs/dbraw/zinc/31/10/81/1168311081.db2.gz KJAUJRVMOFZSEE-AWEZNQCLSA-N 2 1 248.370 2.139 20 0 BEADMP C(C1CC1)[N@H+]([C@@H]1CCNC1)C1CCCCC1 ZINC001236649404 979688677 /nfs/dbraw/zinc/68/86/77/979688677.db2.gz XZLGVRRXKDBTNR-CQSZACIVSA-N 2 1 222.376 2.393 20 0 BEADMP C(C1CC1)[N@@H+]([C@@H]1CCNC1)C1CCCCC1 ZINC001236649404 979688682 /nfs/dbraw/zinc/68/86/82/979688682.db2.gz XZLGVRRXKDBTNR-CQSZACIVSA-N 2 1 222.376 2.393 20 0 BEADMP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2COc3ccccc32)CC1 ZINC000086819143 1168313736 /nfs/dbraw/zinc/31/37/36/1168313736.db2.gz PZRXIONPXYWJJZ-GXTWGEPZSA-N 2 1 246.354 2.194 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2COc3ccccc32)CC1 ZINC000086819143 1168313740 /nfs/dbraw/zinc/31/37/40/1168313740.db2.gz PZRXIONPXYWJJZ-GXTWGEPZSA-N 2 1 246.354 2.194 20 0 BEADMP [NH3+]CC1(C[N@@H+](Cc2cccs2)C2CC2)CC1 ZINC000168767200 1168389847 /nfs/dbraw/zinc/38/98/47/1168389847.db2.gz ZUVYZRXWHFZXOB-UHFFFAOYSA-N 2 1 236.384 2.451 20 0 BEADMP CCC1CCC([N@@H+](C)C[C@@H](C)C[NH3+])CC1 ZINC000042515300 1168394234 /nfs/dbraw/zinc/39/42/34/1168394234.db2.gz HQWJCBBOXMQRAQ-HIFPTAJRSA-N 2 1 212.381 2.482 20 0 BEADMP CCC[N@@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC001119933684 1168440388 /nfs/dbraw/zinc/44/03/88/1168440388.db2.gz HWPHUXAFPHLXKJ-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+]Cc1cc(C)ccc1OC ZINC001345099875 980547021 /nfs/dbraw/zinc/54/70/21/980547021.db2.gz LACSAMHVNZQLPZ-GFCCVEGCSA-N 2 1 236.359 2.091 20 0 BEADMP CCc1cccnc1[C@H](C)[NH2+]CC[C@H](C)[NH2+]C ZINC001345481619 980618656 /nfs/dbraw/zinc/61/86/56/980618656.db2.gz FCNFQYSOVOKKPJ-RYUDHWBXSA-N 2 1 235.375 2.293 20 0 BEADMP CCCCC[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205537178 980904298 /nfs/dbraw/zinc/90/42/98/980904298.db2.gz DWORSKXKWYPVIG-LBPRGKRZSA-N 2 1 216.344 2.330 20 0 BEADMP CCCCC[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205537177 980905558 /nfs/dbraw/zinc/90/55/58/980905558.db2.gz DWORSKXKWYPVIG-GFCCVEGCSA-N 2 1 216.344 2.330 20 0 BEADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001348100600 981281978 /nfs/dbraw/zinc/28/19/78/981281978.db2.gz YFSFFZCTDWMZJU-YNEHKIRRSA-N 2 1 240.391 2.016 20 0 BEADMP C1[C@@H]2C[NH2+]C[C@@H]2[N@@H+]1C1CCCCCCC1 ZINC001246914871 1168661031 /nfs/dbraw/zinc/66/10/31/1168661031.db2.gz DQIPHPQXBWPYEX-AAEUAGOBSA-N 2 1 208.349 2.003 20 0 BEADMP C1[C@@H]2C[NH2+]C[C@@H]2[N@H+]1C1CCCCCCC1 ZINC001246914871 1168661037 /nfs/dbraw/zinc/66/10/37/1168661037.db2.gz DQIPHPQXBWPYEX-AAEUAGOBSA-N 2 1 208.349 2.003 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+]C2CC(C)(C)C2)CC1 ZINC000258121868 1168934597 /nfs/dbraw/zinc/93/45/97/1168934597.db2.gz POTMXZPSZWADBU-LLVKDONJSA-N 2 1 210.365 2.249 20 0 BEADMP CCC[C@@H](C)C[N@@H+]1CCc2nccn2CC1 ZINC001201552973 983311886 /nfs/dbraw/zinc/31/18/86/983311886.db2.gz XDGQGWIFDNWELR-GFCCVEGCSA-N 2 1 221.348 2.177 20 0 BEADMP CCC[C@@H](C)C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001201552973 983311894 /nfs/dbraw/zinc/31/18/94/983311894.db2.gz XDGQGWIFDNWELR-GFCCVEGCSA-N 2 1 221.348 2.177 20 0 BEADMP CCC[C@@H](C)C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001201552973 983311904 /nfs/dbraw/zinc/31/19/04/983311904.db2.gz XDGQGWIFDNWELR-GFCCVEGCSA-N 2 1 221.348 2.177 20 0 BEADMP CSCCC[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001201697086 983410449 /nfs/dbraw/zinc/41/04/49/983410449.db2.gz ZLGPPCYJBPECBC-UHFFFAOYSA-N 2 1 242.432 2.298 20 0 BEADMP C[N@H+](CCC(C)(C)C)C1CC[NH+](C)CC1 ZINC001202055540 983540831 /nfs/dbraw/zinc/54/08/31/983540831.db2.gz MDWPSQIPNYJKGN-UHFFFAOYSA-N 2 1 212.381 2.449 20 0 BEADMP C[N@@H+](CCC(C)(C)C)C1CC[NH+](C)CC1 ZINC001202055540 983540836 /nfs/dbraw/zinc/54/08/36/983540836.db2.gz MDWPSQIPNYJKGN-UHFFFAOYSA-N 2 1 212.381 2.449 20 0 BEADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001258050132 1169130725 /nfs/dbraw/zinc/13/07/25/1169130725.db2.gz BKPBOBWWVZKDJI-BFHYXJOUSA-N 2 1 242.407 2.107 20 0 BEADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001258050132 1169130730 /nfs/dbraw/zinc/13/07/30/1169130730.db2.gz BKPBOBWWVZKDJI-BFHYXJOUSA-N 2 1 242.407 2.107 20 0 BEADMP CCOCC[C@H](C)[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001172432647 974719400 /nfs/dbraw/zinc/71/94/00/974719400.db2.gz XNRMQDLCCATLNY-ZDUSSCGKSA-N 2 1 242.407 2.218 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)[C@@H](C)CCOC(C)C ZINC001172455562 974818288 /nfs/dbraw/zinc/81/82/88/974818288.db2.gz VPZAICIFSHCOEK-AWEZNQCLSA-N 2 1 244.423 2.464 20 0 BEADMP C[C@]1(C[NH3+])CCC[N@H+](C2CCSCC2)CC1 ZINC001246577307 972880707 /nfs/dbraw/zinc/88/07/07/972880707.db2.gz NYRMYENGDNOGEQ-ZDUSSCGKSA-N 2 1 242.432 2.333 20 0 BEADMP CC(C)[N@@H+](CCC[NH3+])[C@H](C)Cc1ccccn1 ZINC001256396861 970803578 /nfs/dbraw/zinc/80/35/78/970803578.db2.gz LVDWGPMCAFNWNO-CYBMUJFWSA-N 2 1 235.375 2.072 20 0 BEADMP CC[N@@H+](CCCCCC[NH3+])[C@H]1CCCOC1 ZINC000402642573 970819553 /nfs/dbraw/zinc/81/95/53/970819553.db2.gz FNDHPZUMTNUGCL-ZDUSSCGKSA-N 2 1 228.380 2.006 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCOC(C)(C)C1 ZINC000351918935 970823589 /nfs/dbraw/zinc/82/35/89/970823589.db2.gz LAKMYMSSPPIFHL-ZDUSSCGKSA-N 2 1 242.407 2.218 20 0 BEADMP CC(C)(C)[NH+]1CCC([NH+]2CC=CC2)CC1 ZINC001256569240 970867276 /nfs/dbraw/zinc/86/72/76/970867276.db2.gz XDZFTZOGRMIGAO-UHFFFAOYSA-N 2 1 208.349 2.121 20 0 BEADMP C[C@@H]1CCCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256621107 970887945 /nfs/dbraw/zinc/88/79/45/970887945.db2.gz KOLAETVAOWQEGT-HABKJSAYSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256621107 970887947 /nfs/dbraw/zinc/88/79/47/970887947.db2.gz KOLAETVAOWQEGT-HABKJSAYSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256621107 970887953 /nfs/dbraw/zinc/88/79/53/970887953.db2.gz KOLAETVAOWQEGT-HABKJSAYSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256621107 970887956 /nfs/dbraw/zinc/88/79/56/970887956.db2.gz KOLAETVAOWQEGT-HABKJSAYSA-N 2 1 222.376 2.486 20 0 BEADMP CCCCCC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403174070 970893942 /nfs/dbraw/zinc/89/39/42/970893942.db2.gz OGNBLWYPWUIXSL-NSHDSACASA-N 2 1 234.334 2.483 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@H](C)Cc1ccncc1 ZINC001256719860 970942319 /nfs/dbraw/zinc/94/23/19/970942319.db2.gz VIIMTBIPIVKBEI-CYBMUJFWSA-N 2 1 235.375 2.073 20 0 BEADMP ClC(Cl)=CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000403600470 970993881 /nfs/dbraw/zinc/99/38/81/970993881.db2.gz GMRSUVOOXLXJER-AOOOYVTPSA-N 2 1 249.185 2.237 20 0 BEADMP C[NH+](C)C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403654902 970995201 /nfs/dbraw/zinc/99/52/01/970995201.db2.gz WCWWWRGSJDTCGF-YOGCLGLASA-N 2 1 242.432 2.343 20 0 BEADMP CCC[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256855666 970999273 /nfs/dbraw/zinc/99/92/73/970999273.db2.gz RKMXOUSBFSSESW-UHFFFAOYSA-N 2 1 233.359 2.392 20 0 BEADMP CC[C@@H]1CO[C@@H](CC)C[N@H+]1CCCCCC[NH3+] ZINC000403731889 971033558 /nfs/dbraw/zinc/03/35/58/971033558.db2.gz BABZVGRCCDWKKW-KGLIPLIRSA-N 2 1 242.407 2.395 20 0 BEADMP COC(=[NH2+])c1cccc(C2=C[NH2+]CCC2)c1 ZINC001243953217 971051652 /nfs/dbraw/zinc/05/16/52/971051652.db2.gz YYNFYRCLRVDLKG-UHFFFAOYSA-N 2 1 216.284 2.383 20 0 BEADMP C[C@H]1CC([NH2+]CC[C@H]2CCC[N@H+]2C)C[C@H](C)O1 ZINC001257084118 971094873 /nfs/dbraw/zinc/09/48/73/971094873.db2.gz ODYZNUQYEMYKCY-SGMGOOAPSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]1CCC[N@@H+](C/C=C\Cl)[C@@H]1CC[NH3+] ZINC000404368519 971156522 /nfs/dbraw/zinc/15/65/22/971156522.db2.gz QEZLGAGLQVDZBW-KQLCGWBMSA-N 2 1 216.756 2.188 20 0 BEADMP CCC(CC)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001257297072 971183948 /nfs/dbraw/zinc/18/39/48/971183948.db2.gz PKHPUGPTPCQQDJ-NEPJUHHUSA-N 2 1 210.365 2.059 20 0 BEADMP CCC(CC)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001257297072 971183955 /nfs/dbraw/zinc/18/39/55/971183955.db2.gz PKHPUGPTPCQQDJ-NEPJUHHUSA-N 2 1 210.365 2.059 20 0 BEADMP CCC(CC)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001257297072 971183961 /nfs/dbraw/zinc/18/39/61/971183961.db2.gz PKHPUGPTPCQQDJ-NEPJUHHUSA-N 2 1 210.365 2.059 20 0 BEADMP CCC(CC)[N@@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001257303962 971191701 /nfs/dbraw/zinc/19/17/01/971191701.db2.gz WAPTUQXMKHOENY-AAEUAGOBSA-N 2 1 210.365 2.201 20 0 BEADMP Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405241481 971218331 /nfs/dbraw/zinc/21/83/31/971218331.db2.gz WKODHTPLHSLXSU-KPXOXKRLSA-N 2 1 249.358 2.212 20 0 BEADMP CCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001257327070 971226483 /nfs/dbraw/zinc/22/64/83/971226483.db2.gz GEVPISPEIPQVKA-MELADBBJSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1 ZINC001257327070 971226494 /nfs/dbraw/zinc/22/64/94/971226494.db2.gz GEVPISPEIPQVKA-MELADBBJSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001257327070 971226501 /nfs/dbraw/zinc/22/65/01/971226501.db2.gz GEVPISPEIPQVKA-MELADBBJSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001257329274 971227959 /nfs/dbraw/zinc/22/79/59/971227959.db2.gz XRPXHNBTPKPXEG-LBPRGKRZSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@H](C[N@@H+]1CC[C@@](C)([NH3+])C1)c1ccccc1 ZINC000405734538 971300558 /nfs/dbraw/zinc/30/05/58/971300558.db2.gz ACHMGDPWSKJXAF-TZMCWYRMSA-N 2 1 218.344 2.213 20 0 BEADMP C[C@H](C[N@H+]1CC[C@@](C)([NH3+])C1)c1ccccc1 ZINC000405734538 971300567 /nfs/dbraw/zinc/30/05/67/971300567.db2.gz ACHMGDPWSKJXAF-TZMCWYRMSA-N 2 1 218.344 2.213 20 0 BEADMP C[C@@]1([NH3+])CC[N@@H+](CCC2CCCCC2)C1 ZINC000405794945 971309755 /nfs/dbraw/zinc/30/97/55/971309755.db2.gz MZKNBBXOUIZJMJ-CYBMUJFWSA-N 2 1 210.365 2.380 20 0 BEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001276758548 971324200 /nfs/dbraw/zinc/32/42/00/971324200.db2.gz FAFZSUFLMHZDEO-BLRNQLGPSA-N 2 1 246.398 2.413 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCCSC1)C2 ZINC001257657802 971458374 /nfs/dbraw/zinc/45/83/74/971458374.db2.gz PKUZYYSJBVPEQT-FVCCEPFGSA-N 2 1 240.416 2.097 20 0 BEADMP CC(C)C[NH+]1CCC([N@@H+](C)CC2CC2)CC1 ZINC001258011405 971554251 /nfs/dbraw/zinc/55/42/51/971554251.db2.gz MDFAKBSGMOGVIV-UHFFFAOYSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CCC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206155408 974262755 /nfs/dbraw/zinc/26/27/55/974262755.db2.gz LIIHLFPMLZXWJZ-RYUDHWBXSA-N 2 1 216.344 2.184 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206155408 974262762 /nfs/dbraw/zinc/26/27/62/974262762.db2.gz LIIHLFPMLZXWJZ-RYUDHWBXSA-N 2 1 216.344 2.184 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170714986 971632966 /nfs/dbraw/zinc/63/29/66/971632966.db2.gz CTOMLUHINZCEOK-ZSOGYDGISA-N 2 1 236.403 2.495 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(C)CC1)C2 ZINC001172100979 974346069 /nfs/dbraw/zinc/34/60/69/974346069.db2.gz VOVYWTNGXPIIOB-CLLJXQQHSA-N 2 1 222.376 2.391 20 0 BEADMP CCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100788 974347981 /nfs/dbraw/zinc/34/79/81/974347981.db2.gz TXYHQSYULVNWHS-XYYAHUGASA-N 2 1 210.365 2.391 20 0 BEADMP CSCC[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130764 974358001 /nfs/dbraw/zinc/35/80/01/974358001.db2.gz RMVSSMHWRSPKMH-CLLJXQQHSA-N 2 1 242.432 2.297 20 0 BEADMP CSCC[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130764 974358013 /nfs/dbraw/zinc/35/80/13/974358013.db2.gz RMVSSMHWRSPKMH-CLLJXQQHSA-N 2 1 242.432 2.297 20 0 BEADMP CSCC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172130764 974358019 /nfs/dbraw/zinc/35/80/19/974358019.db2.gz RMVSSMHWRSPKMH-CLLJXQQHSA-N 2 1 242.432 2.297 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1ccco1)C2 ZINC001172103748 974363462 /nfs/dbraw/zinc/36/34/62/974363462.db2.gz XGRRFIUXNAWAET-BTTYYORXSA-N 2 1 248.370 2.427 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC=CC1)C2 ZINC001172104027 974365631 /nfs/dbraw/zinc/36/56/31/974365631.db2.gz YWHVQTFVPLVYBQ-BTTYYORXSA-N 2 1 220.360 2.310 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC=CC1)C2 ZINC001172104027 974365634 /nfs/dbraw/zinc/36/56/34/974365634.db2.gz YWHVQTFVPLVYBQ-BTTYYORXSA-N 2 1 220.360 2.310 20 0 BEADMP CSCC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172130764 974358030 /nfs/dbraw/zinc/35/80/30/974358030.db2.gz RMVSSMHWRSPKMH-CLLJXQQHSA-N 2 1 242.432 2.297 20 0 BEADMP C[C@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172122069 974389369 /nfs/dbraw/zinc/38/93/69/974389369.db2.gz WLSKMFRFNQGOEX-FQUUOJAGSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172122069 974389377 /nfs/dbraw/zinc/38/93/77/974389377.db2.gz WLSKMFRFNQGOEX-FQUUOJAGSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172122069 974389382 /nfs/dbraw/zinc/38/93/82/974389382.db2.gz WLSKMFRFNQGOEX-FQUUOJAGSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172122069 974389387 /nfs/dbraw/zinc/38/93/87/974389387.db2.gz WLSKMFRFNQGOEX-FQUUOJAGSA-N 2 1 222.376 2.344 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC1)C2 ZINC001172115154 974383883 /nfs/dbraw/zinc/38/38/83/974383883.db2.gz VIBFBUBPTJIKHY-ITGUQSILSA-N 2 1 208.349 2.098 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC1)C2 ZINC001172115154 974383888 /nfs/dbraw/zinc/38/38/88/974383888.db2.gz VIBFBUBPTJIKHY-ITGUQSILSA-N 2 1 208.349 2.098 20 0 BEADMP CC1(C)[C@@H]2C[C@H]([N@H+]3CCc4[nH+]ccn4CC3)C[C@@H]21 ZINC001170761920 971744485 /nfs/dbraw/zinc/74/44/85/971744485.db2.gz PKXCSPWVDZUSFD-CLLJXQQHSA-N 2 1 245.370 2.176 20 0 BEADMP CC1(C)[C@@H]2C[C@H]([N@@H+]3CCc4[nH+]ccn4CC3)C[C@@H]21 ZINC001170761920 971744498 /nfs/dbraw/zinc/74/44/98/971744498.db2.gz PKXCSPWVDZUSFD-CLLJXQQHSA-N 2 1 245.370 2.176 20 0 BEADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170765996 971758096 /nfs/dbraw/zinc/75/80/96/971758096.db2.gz ZZCDEERHDVUXFE-XYFZXANASA-N 2 1 248.414 2.305 20 0 BEADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]2C1 ZINC001170768005 971761947 /nfs/dbraw/zinc/76/19/47/971761947.db2.gz VSLFEPQIGTYMHH-SBAKFKMJSA-N 2 1 248.414 2.305 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]2C1 ZINC001170768005 971761956 /nfs/dbraw/zinc/76/19/56/971761956.db2.gz VSLFEPQIGTYMHH-SBAKFKMJSA-N 2 1 248.414 2.305 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]2C1 ZINC001170768005 971761959 /nfs/dbraw/zinc/76/19/59/971761959.db2.gz VSLFEPQIGTYMHH-SBAKFKMJSA-N 2 1 248.414 2.305 20 0 BEADMP CC[C@H](C)OCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001172315674 974522298 /nfs/dbraw/zinc/52/22/98/974522298.db2.gz CLAYFPBLKAVOLF-HZSPNIEDSA-N 2 1 242.407 2.121 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(F)c(C)c1 ZINC000310930621 971989452 /nfs/dbraw/zinc/98/94/52/971989452.db2.gz LOALHZYKHZTMQQ-UHFFFAOYSA-N 2 1 247.317 2.429 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C2(C)CCCCC2)C[NH2+]1 ZINC001246080836 972136519 /nfs/dbraw/zinc/13/65/19/972136519.db2.gz KPWVNTAWDGJGJC-VXGBXAGGSA-N 2 1 210.365 2.439 20 0 BEADMP Cc1cccc2c1CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC001246108073 972171572 /nfs/dbraw/zinc/17/15/72/972171572.db2.gz CYHUDWJPFQJPFS-HUUCEWRRSA-N 2 1 244.382 2.194 20 0 BEADMP C[N@H+]1CCC=C(c2cccc3c2CC[C@@H]3[NH3+])C1 ZINC001241571244 1169735015 /nfs/dbraw/zinc/73/50/15/1169735015.db2.gz WQDHSPJQCOSTES-HNNXBMFYSA-N 2 1 228.339 2.352 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CCCc2cccs2)C[NH2+]1 ZINC001246169904 972200195 /nfs/dbraw/zinc/20/01/95/972200195.db2.gz OOMBTJBENRLUJG-VXGBXAGGSA-N 2 1 238.400 2.411 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)CC[C@@H](C)SC ZINC001208149257 957027735 /nfs/dbraw/zinc/02/77/35/957027735.db2.gz MWALOSVQLGTODE-GFCCVEGCSA-N 2 1 232.437 2.402 20 0 BEADMP CC[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208608376 957088631 /nfs/dbraw/zinc/08/86/31/957088631.db2.gz IDQJGGCMPZXSIJ-KGLIPLIRSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@@H]1CCC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208608376 957088645 /nfs/dbraw/zinc/08/86/45/957088645.db2.gz IDQJGGCMPZXSIJ-KGLIPLIRSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@@H]1CCC[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208608376 957088655 /nfs/dbraw/zinc/08/86/55/957088655.db2.gz IDQJGGCMPZXSIJ-KGLIPLIRSA-N 2 1 224.392 2.450 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CC3(C2)CCCC3)C1 ZINC001208608174 957094456 /nfs/dbraw/zinc/09/44/56/957094456.db2.gz QYBFPXUGGSZWOB-CYBMUJFWSA-N 2 1 222.376 2.204 20 0 BEADMP Cc1cc(C)[nH+]c(NC2=CC[N@H+](C)CC2)c1 ZINC001208717044 957130156 /nfs/dbraw/zinc/13/01/56/957130156.db2.gz ARRDPURAGVSRNY-UHFFFAOYSA-N 2 1 217.316 2.330 20 0 BEADMP Cc1cc(C)[nH+]c(NC2=CC[N@@H+](C)CC2)c1 ZINC001208717044 957130163 /nfs/dbraw/zinc/13/01/63/957130163.db2.gz ARRDPURAGVSRNY-UHFFFAOYSA-N 2 1 217.316 2.330 20 0 BEADMP C[C@H]1CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000705581197 957354815 /nfs/dbraw/zinc/35/48/15/957354815.db2.gz HREXQXQPOKDGKM-ICIURTGMSA-N 2 1 222.376 2.391 20 0 BEADMP C1[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)C12CCCCC2 ZINC001246333636 972294609 /nfs/dbraw/zinc/29/46/09/972294609.db2.gz KWAYIDNHBBCAGR-CHWSQXEVSA-N 2 1 222.376 2.441 20 0 BEADMP C[C@@H](Cc1ccc(O)cc1)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246345268 972299286 /nfs/dbraw/zinc/29/92/86/972299286.db2.gz DLXGVRAAMIGUIY-MBNYWOFBSA-N 2 1 248.370 2.053 20 0 BEADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246345268 972299293 /nfs/dbraw/zinc/29/92/93/972299293.db2.gz DLXGVRAAMIGUIY-MBNYWOFBSA-N 2 1 248.370 2.053 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000723138838 958298284 /nfs/dbraw/zinc/29/82/84/958298284.db2.gz RDIPCCZPAMZUDL-YIYPIFLZSA-N 2 1 222.376 2.106 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000723138838 958298295 /nfs/dbraw/zinc/29/82/95/958298295.db2.gz RDIPCCZPAMZUDL-YIYPIFLZSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CCc2ccc(F)cc2)C[NH2+]1 ZINC000399188609 958558003 /nfs/dbraw/zinc/55/80/03/958558003.db2.gz OZAWZMDYZLGUHN-RISCZKNCSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(F)cc2)C[NH2+]1 ZINC000399188607 958559978 /nfs/dbraw/zinc/55/99/78/958559978.db2.gz OZAWZMDYZLGUHN-BXUZGUMPSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@H]1CC[C@H]([N@@H+]2CCC23CCCC3)C[NH2+]1 ZINC000707628662 958636848 /nfs/dbraw/zinc/63/68/48/958636848.db2.gz WMUGLHQSGLBIQT-RYUDHWBXSA-N 2 1 208.349 2.145 20 0 BEADMP C[C@H]1CC[C@H]([N@H+]2CCC23CCCC3)C[NH2+]1 ZINC000707628662 958636854 /nfs/dbraw/zinc/63/68/54/958636854.db2.gz WMUGLHQSGLBIQT-RYUDHWBXSA-N 2 1 208.349 2.145 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](c3ccccc3)C2)C1 ZINC000693547766 958759056 /nfs/dbraw/zinc/75/90/56/958759056.db2.gz SBZIEJGGZJOHIU-AEGPPILISA-N 2 1 230.355 2.213 20 0 BEADMP C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000693578905 958869039 /nfs/dbraw/zinc/86/90/39/958869039.db2.gz LMQQTJVSBOSEJB-VEGXAWMVSA-N 2 1 210.365 2.090 20 0 BEADMP C[C@@H](Cc1ccccn1)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000707961851 958879350 /nfs/dbraw/zinc/87/93/50/958879350.db2.gz VMONDLYLFQKGSE-DZGCQCFKSA-N 2 1 247.386 2.087 20 0 BEADMP C1=CCC(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001350396647 959169764 /nfs/dbraw/zinc/16/97/64/959169764.db2.gz DRGFCASSPAMKTC-UHFFFAOYSA-N 2 1 234.387 2.418 20 0 BEADMP CC(C)[C@H](C)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC000308826549 959520101 /nfs/dbraw/zinc/52/01/01/959520101.db2.gz AJOFEGZDZAMNOL-RWMBFGLXSA-N 2 1 212.381 2.493 20 0 BEADMP CCc1ccccc1C[N@@H+]1CC[C@](C)([NH3+])C1 ZINC000405848893 959526101 /nfs/dbraw/zinc/52/61/01/959526101.db2.gz LKFKVLVXZQYVAC-AWEZNQCLSA-N 2 1 218.344 2.172 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@](C)([NH3+])C1 ZINC000405848893 959526108 /nfs/dbraw/zinc/52/61/08/959526108.db2.gz LKFKVLVXZQYVAC-AWEZNQCLSA-N 2 1 218.344 2.172 20 0 BEADMP C[NH2+]CC[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000708796048 959823687 /nfs/dbraw/zinc/82/36/87/959823687.db2.gz AUBAYWMKNXLFFF-CYBMUJFWSA-N 2 1 210.365 2.108 20 0 BEADMP C[NH2+]CC[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000708796048 959823696 /nfs/dbraw/zinc/82/36/96/959823696.db2.gz AUBAYWMKNXLFFF-CYBMUJFWSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@H]1C[N@H+](Cc2csc(Cl)c2)C[C@H]1C[NH3+] ZINC000708843775 959911937 /nfs/dbraw/zinc/91/19/37/959911937.db2.gz UPLVVLCKPWQNNQ-WCBMZHEXSA-N 2 1 244.791 2.428 20 0 BEADMP C[C@H]1C[N@@H+](Cc2csc(Cl)c2)C[C@H]1C[NH3+] ZINC000708843775 959911944 /nfs/dbraw/zinc/91/19/44/959911944.db2.gz UPLVVLCKPWQNNQ-WCBMZHEXSA-N 2 1 244.791 2.428 20 0 BEADMP CCCCC[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708863824 959986227 /nfs/dbraw/zinc/98/62/27/959986227.db2.gz QEWOGKAMTZZMLV-RWMBFGLXSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@]1(F)CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207436776 960089357 /nfs/dbraw/zinc/08/93/57/960089357.db2.gz PPDPOGGMZKZRPQ-CYBMUJFWSA-N 2 1 228.355 2.200 20 0 BEADMP C[C@]1(F)CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207436777 960091529 /nfs/dbraw/zinc/09/15/29/960091529.db2.gz PPDPOGGMZKZRPQ-ZDUSSCGKSA-N 2 1 228.355 2.200 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CCCC(F)(F)C1 ZINC000695114596 960108142 /nfs/dbraw/zinc/10/81/42/960108142.db2.gz WXFVOHQOHVQGMQ-GARJFASQSA-N 2 1 232.318 2.294 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000695114596 960108149 /nfs/dbraw/zinc/10/81/49/960108149.db2.gz WXFVOHQOHVQGMQ-GARJFASQSA-N 2 1 232.318 2.294 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000925530893 960286619 /nfs/dbraw/zinc/28/66/19/960286619.db2.gz HHOSLVKKSNCKSQ-OCCSQVGLSA-N 2 1 240.391 2.066 20 0 BEADMP CCOCC[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001172410557 974673587 /nfs/dbraw/zinc/67/35/87/974673587.db2.gz HUPCLGUULQNZKY-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1(Cl)CC1 ZINC000695655869 960327522 /nfs/dbraw/zinc/32/75/22/960327522.db2.gz OCLSTRVJNWHJLR-QJPTWQEYSA-N 2 1 242.794 2.363 20 0 BEADMP CC1C[NH+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801927 960594382 /nfs/dbraw/zinc/59/43/82/960594382.db2.gz KZGZGOPDIZALLM-UHFFFAOYSA-N 2 1 201.273 2.015 20 0 BEADMP COC[C@H]1CCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140802436 960596792 /nfs/dbraw/zinc/59/67/92/960596792.db2.gz VOYHWTDRYQZCBA-GFCCVEGCSA-N 2 1 245.326 2.174 20 0 BEADMP COC[C@H]1CCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140802436 960596804 /nfs/dbraw/zinc/59/68/04/960596804.db2.gz VOYHWTDRYQZCBA-GFCCVEGCSA-N 2 1 245.326 2.174 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2ccncc2)CC[NH2+]1 ZINC000709467547 960612930 /nfs/dbraw/zinc/61/29/30/960612930.db2.gz UMNAQUPEGQMUFW-VHDGCEQUSA-N 2 1 245.370 2.359 20 0 BEADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccsc2)CC[NH2+]1 ZINC000709447385 960613684 /nfs/dbraw/zinc/61/36/84/960613684.db2.gz JAROWESVDOWHAE-JQWIXIFHSA-N 2 1 224.373 2.320 20 0 BEADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccsc2)CC[NH2+]1 ZINC000709447385 960613691 /nfs/dbraw/zinc/61/36/91/960613691.db2.gz JAROWESVDOWHAE-JQWIXIFHSA-N 2 1 224.373 2.320 20 0 BEADMP CC[N@H+](Cc1ccncc1)[C@H]1CC[NH2+][C@H](C)C1 ZINC000709480744 960622932 /nfs/dbraw/zinc/62/29/32/960622932.db2.gz YHZZEWFVFGDBLW-OCCSQVGLSA-N 2 1 233.359 2.044 20 0 BEADMP CC[N@@H+](Cc1ccncc1)[C@H]1CC[NH2+][C@H](C)C1 ZINC000709480744 960622942 /nfs/dbraw/zinc/62/29/42/960622942.db2.gz YHZZEWFVFGDBLW-OCCSQVGLSA-N 2 1 233.359 2.044 20 0 BEADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]1CCCC(C)(C)C1 ZINC000709525821 960633521 /nfs/dbraw/zinc/63/35/21/960633521.db2.gz RTKRSYRGDVFZRW-NWDGAFQWSA-N 2 1 212.381 2.482 20 0 BEADMP Cc1cc(NCc2ccc(N)[nH+]c2C)cc(C)[nH+]1 ZINC001167786397 960886568 /nfs/dbraw/zinc/88/65/68/960886568.db2.gz PSYYYNKMFGTJTI-UHFFFAOYSA-N 2 1 242.326 2.018 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]CCc2cccc(F)c2)C[NH2+]1 ZINC000399214738 961094553 /nfs/dbraw/zinc/09/45/53/961094553.db2.gz ZEYQUBBQSHSAOV-FZMZJTMJSA-N 2 1 236.334 2.098 20 0 BEADMP CC[C@H](Cc1cccs1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925785103 961166361 /nfs/dbraw/zinc/16/63/61/961166361.db2.gz JECVWFQCTCUJCY-NQBHXWOUSA-N 2 1 238.400 2.267 20 0 BEADMP CO[C@H](C[N@@H+](C)C1CCC([NH3+])CC1)C1CCC1 ZINC000692219528 961361033 /nfs/dbraw/zinc/36/10/33/961361033.db2.gz ZQBZEMVZZUOJKM-JXQTWKCFSA-N 2 1 240.391 2.003 20 0 BEADMP C(C1CC[NH2+]CC1)[N@@H+]1C[C@@H]2CCC[C@@H](C2)C1 ZINC000300760995 961658937 /nfs/dbraw/zinc/65/89/37/961658937.db2.gz NMSWCAKQJQMIGE-OKILXGFUSA-N 2 1 222.376 2.108 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167911246 961817401 /nfs/dbraw/zinc/81/74/01/961817401.db2.gz ATVBRFHSAJJNHI-YGOQEGJDSA-N 2 1 234.387 2.390 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167911246 961817403 /nfs/dbraw/zinc/81/74/03/961817403.db2.gz ATVBRFHSAJJNHI-YGOQEGJDSA-N 2 1 234.387 2.390 20 0 BEADMP C[C@H]1C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167959901 962842760 /nfs/dbraw/zinc/84/27/60/962842760.db2.gz UMYZOAQTMHNCJC-OKFLDJDMSA-N 2 1 234.387 2.390 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000696804422 963514751 /nfs/dbraw/zinc/51/47/51/963514751.db2.gz YFHXNZKOEAAOIF-GFCCVEGCSA-N 2 1 212.381 2.483 20 0 BEADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CCC2(CCC2)C1 ZINC000697017447 963639158 /nfs/dbraw/zinc/63/91/58/963639158.db2.gz SBLSYDYOBBEOED-ZDUSSCGKSA-N 2 1 222.376 2.252 20 0 BEADMP Oc1c[nH]c(Cl)cc1=[NH+]C=C1CC[NH2+]CC1 ZINC001159288066 964049076 /nfs/dbraw/zinc/04/90/76/964049076.db2.gz LZZMJAJGTJGTGG-UHFFFAOYSA-N 2 1 239.706 2.120 20 0 BEADMP c1[nH]c2ccc(NC3=CCC[NH2+]CC3)cc2[nH+]1 ZINC001160224811 964273546 /nfs/dbraw/zinc/27/35/46/964273546.db2.gz ZYNNZRQJZNFPHV-UHFFFAOYSA-N 2 1 228.299 2.242 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1cccc(N)[nH+]1)C2 ZINC001160468809 964307356 /nfs/dbraw/zinc/30/73/56/964307356.db2.gz HEMLTFNKBNRYME-CNDDSTCGSA-N 2 1 246.358 2.091 20 0 BEADMP C[NH+](C)C1CCC([N@H+]2CCC3(CC3)C2)CC1 ZINC001168314448 964421655 /nfs/dbraw/zinc/42/16/55/964421655.db2.gz LGFXCWLTJYYDGM-UHFFFAOYSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+](C)C1CCC([N@@H+](C)Cc2ccncc2)CC1 ZINC001168315524 964425022 /nfs/dbraw/zinc/42/50/22/964425022.db2.gz XQIKNDAZOYARAY-UHFFFAOYSA-N 2 1 247.386 2.386 20 0 BEADMP C[NH+](C)C1CCC([N@@H+](C)Cc2ccccn2)CC1 ZINC001168314945 964425964 /nfs/dbraw/zinc/42/59/64/964425964.db2.gz IPLKFDKIXQAEIE-UHFFFAOYSA-N 2 1 247.386 2.386 20 0 BEADMP C[NH+](C)C1CCC([N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)CC1 ZINC001168318772 964434240 /nfs/dbraw/zinc/43/42/40/964434240.db2.gz FMYDRNFXJYHTFC-FDZXDKCCSA-N 2 1 240.366 2.149 20 0 BEADMP CSCC[N@@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168328807 964460176 /nfs/dbraw/zinc/46/01/76/964460176.db2.gz KNHRUBRNVMKDJU-UHFFFAOYSA-N 2 1 230.421 2.154 20 0 BEADMP c1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)ccn1 ZINC001168347826 964488350 /nfs/dbraw/zinc/48/83/50/964488350.db2.gz RNLZRGMFFNVIJP-UHFFFAOYSA-N 2 1 245.370 2.046 20 0 BEADMP C[C@@H](CC[NH2+]Cc1cc(F)cc(F)c1)[NH+](C)C ZINC000697826804 964549492 /nfs/dbraw/zinc/54/94/92/964549492.db2.gz KLFUWWLFGVJSDE-JTQLQIEISA-N 2 1 242.313 2.395 20 0 BEADMP C[C@@H](CC[NH2+]Cc1cccc(F)c1)[NH+](C)C ZINC000697905977 964672740 /nfs/dbraw/zinc/67/27/40/964672740.db2.gz WQJWHJZDXUSYCI-NSHDSACASA-N 2 1 224.323 2.256 20 0 BEADMP FC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCC1 ZINC001168364330 964683775 /nfs/dbraw/zinc/68/37/75/964683775.db2.gz BKJCEGWWQDSWCT-UHFFFAOYSA-N 2 1 240.366 2.343 20 0 BEADMP C[NH2+]CCC[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000249855173 964754947 /nfs/dbraw/zinc/75/49/47/964754947.db2.gz QFWJZBGJOJTABE-STQMWFEESA-N 2 1 210.365 2.108 20 0 BEADMP CC(C)c1ccc(N[C@H]2C[C@@](C)([NH3+])C2)[nH+]c1 ZINC001162328731 964933429 /nfs/dbraw/zinc/93/34/29/964933429.db2.gz YMUSLWLTGLRTJD-BJHJDKERSA-N 2 1 219.332 2.497 20 0 BEADMP CN(C)c1cc[nH+]c(N[C@@]2(C)CCC[N@@H+](C)C2)c1 ZINC001162343034 964940227 /nfs/dbraw/zinc/94/02/27/964940227.db2.gz ZYPZTPDQENGQBZ-AWEZNQCLSA-N 2 1 248.374 2.044 20 0 BEADMP CCc1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)[nH+]c1 ZINC001162399312 964958934 /nfs/dbraw/zinc/95/89/34/964958934.db2.gz AYRKTQVJWFUPFZ-NWDGAFQWSA-N 2 1 219.332 2.326 20 0 BEADMP [NH3+][C@@H]1CCC[C@H](Nc2[nH+]ccc3cc[nH]c32)C1 ZINC001162403398 964963837 /nfs/dbraw/zinc/96/38/37/964963837.db2.gz ZIBNLQMMYDRBOB-MNOVXSKESA-N 2 1 230.315 2.245 20 0 BEADMP Cc1ccc(NC[C@H]2CCC[NH2+]C[C@@H]2C)[nH+]c1 ZINC001162456291 964984531 /nfs/dbraw/zinc/98/45/31/964984531.db2.gz WDAAJGWWWIMNRS-QWHCGFSZSA-N 2 1 233.359 2.438 20 0 BEADMP CNc1ccc(NC[C@H]2CCC[NH2+]C[C@@H]2C)c[nH+]1 ZINC001162457678 964984872 /nfs/dbraw/zinc/98/48/72/964984872.db2.gz QMVJHVXMLSIFDV-NWDGAFQWSA-N 2 1 248.374 2.171 20 0 BEADMP C(C1CC1)[NH+]1CCC([N@H+]2CCC3(CC3)C2)CC1 ZINC001168374141 964991486 /nfs/dbraw/zinc/99/14/86/964991486.db2.gz WQNQOGAKBOHDBF-UHFFFAOYSA-N 2 1 234.387 2.347 20 0 BEADMP CCc1cccc(NC[C@H]2C[NH2+][C@H](C)C2)[nH+]1 ZINC001162559747 965054614 /nfs/dbraw/zinc/05/46/14/965054614.db2.gz QTTSAWAQJHQCJV-GHMZBOCLSA-N 2 1 219.332 2.054 20 0 BEADMP C1=C[C@H](Nc2cccc(C3CC3)[nH+]2)[C@@H]2C[NH2+]C[C@H]12 ZINC001162801117 965186240 /nfs/dbraw/zinc/18/62/40/965186240.db2.gz GOJXYNKXPFJPFF-SCRDCRAPSA-N 2 1 241.338 2.145 20 0 BEADMP CCc1cccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)[nH+]1 ZINC001163267521 965320463 /nfs/dbraw/zinc/32/04/63/965320463.db2.gz XCMNPEGNJSHBHA-WXHSDQCUSA-N 2 1 231.343 2.054 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](Nc2cccc(N)[nH+]2)[C@@H](C)C1 ZINC001163365411 965369764 /nfs/dbraw/zinc/36/97/64/965369764.db2.gz ZVKAJMURYHKZIO-NWDGAFQWSA-N 2 1 248.374 2.195 20 0 BEADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](C1CCCCC1)C2 ZINC001257461668 1169870086 /nfs/dbraw/zinc/87/00/86/1169870086.db2.gz XETVXDQJQYNORW-TZMCWYRMSA-N 2 1 222.376 2.203 20 0 BEADMP Cc1cc(O)cc(C)c1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205068941 965426715 /nfs/dbraw/zinc/42/67/15/965426715.db2.gz QECFGFAHJJXJGL-STQMWFEESA-N 2 1 248.370 2.321 20 0 BEADMP Cc1cc(O)cc(C)c1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205068941 965426722 /nfs/dbraw/zinc/42/67/22/965426722.db2.gz QECFGFAHJJXJGL-STQMWFEESA-N 2 1 248.370 2.321 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc3[nH]ccc32)CC1 ZINC001205093867 965718938 /nfs/dbraw/zinc/71/89/38/965718938.db2.gz GWKPWIMMGAYMQY-ZDUSSCGKSA-N 2 1 243.354 2.481 20 0 BEADMP C[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC000699202798 965805749 /nfs/dbraw/zinc/80/57/49/965805749.db2.gz DTZZHSWJOMJVIT-WQGXVZNYSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC001168465693 965812498 /nfs/dbraw/zinc/81/24/98/965812498.db2.gz VGVYVYHVFCXZTQ-NEPJUHHUSA-N 2 1 238.350 2.283 20 0 BEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC001168465699 965812574 /nfs/dbraw/zinc/81/25/74/965812574.db2.gz VGVYVYHVFCXZTQ-VXGBXAGGSA-N 2 1 238.350 2.283 20 0 BEADMP CCCC[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699303321 965837361 /nfs/dbraw/zinc/83/73/61/965837361.db2.gz ACGNMATXVXTNAM-YHWZYXNKSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1C[NH3+] ZINC001205131416 965938425 /nfs/dbraw/zinc/93/84/25/965938425.db2.gz YCZLIZYIRSXOGA-GXTWGEPZSA-N 2 1 224.392 2.483 20 0 BEADMP Cc1cc(C)[nH+]c(N2CCC[C@H]2C[NH+](C)C)c1 ZINC001165073458 965955601 /nfs/dbraw/zinc/95/56/01/965955601.db2.gz YEPBYGJALFSSRV-ZDUSSCGKSA-N 2 1 233.359 2.229 20 0 BEADMP CC1=C[C@@H](C)[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001234979685 965982097 /nfs/dbraw/zinc/98/20/97/965982097.db2.gz QVNJVQMNUUYYPP-BARDWOONSA-N 2 1 234.387 2.130 20 0 BEADMP C[NH2+]C[C@H]1CCCC[N@@H+]1CC[C@H]1CCCCO1 ZINC000699569243 965996081 /nfs/dbraw/zinc/99/60/81/965996081.db2.gz IYRMBNIHFFZWBU-ZIAGYGMSSA-N 2 1 240.391 2.020 20 0 BEADMP C[NH2+]C[C@H]1CCCC[N@H+]1CC[C@H]1CCCCO1 ZINC000699569243 965996097 /nfs/dbraw/zinc/99/60/97/965996097.db2.gz IYRMBNIHFFZWBU-ZIAGYGMSSA-N 2 1 240.391 2.020 20 0 BEADMP CC[C@@H](C)C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235123358 966008350 /nfs/dbraw/zinc/00/83/50/966008350.db2.gz JIRJCLONQSZDNO-OLZOCXBDSA-N 2 1 210.365 2.251 20 0 BEADMP CCc1ccccc1C[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235986367 966198768 /nfs/dbraw/zinc/19/87/68/966198768.db2.gz DSBYZFMHPASKLN-GJZGRUSLSA-N 2 1 230.355 2.172 20 0 BEADMP CCc1ccccc1C[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235986367 966198786 /nfs/dbraw/zinc/19/87/86/966198786.db2.gz DSBYZFMHPASKLN-GJZGRUSLSA-N 2 1 230.355 2.172 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2cccc3c2CCC3)C1 ZINC001236052301 966256634 /nfs/dbraw/zinc/25/66/34/966256634.db2.gz PYSVZUZMDRQCMR-SWLSCSKDSA-N 2 1 244.382 2.344 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2cccc3c2CCC3)C1 ZINC001236052301 966256635 /nfs/dbraw/zinc/25/66/35/966256635.db2.gz PYSVZUZMDRQCMR-SWLSCSKDSA-N 2 1 244.382 2.344 20 0 BEADMP C([C@@H]1CC2CCC1CC2)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000691658364 966292717 /nfs/dbraw/zinc/29/27/17/966292717.db2.gz BZTYKHRDJBCZQD-NCOXYXGASA-N 2 1 248.414 2.497 20 0 BEADMP C([C@@H]1CC2CCC1CC2)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000691658364 966292722 /nfs/dbraw/zinc/29/27/22/966292722.db2.gz BZTYKHRDJBCZQD-NCOXYXGASA-N 2 1 248.414 2.497 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237380693 966656123 /nfs/dbraw/zinc/65/61/23/966656123.db2.gz GUYYDCZVYCXELB-NPJQDHAYSA-N 2 1 246.398 2.273 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237380693 966656138 /nfs/dbraw/zinc/65/61/38/966656138.db2.gz GUYYDCZVYCXELB-NPJQDHAYSA-N 2 1 246.398 2.273 20 0 BEADMP CC1CC(C[N@@H+](C)CCCCCC[NH3+])C1 ZINC000691960312 966714959 /nfs/dbraw/zinc/71/49/59/966714959.db2.gz BLMGPQDBJLBJJG-UHFFFAOYSA-N 2 1 212.381 2.483 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC001205190358 966800596 /nfs/dbraw/zinc/80/05/96/966800596.db2.gz NPUQFKAHSYDFGX-ZWNOBZJWSA-N 2 1 229.327 2.089 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc2cc[nH]c21 ZINC001205190358 966800605 /nfs/dbraw/zinc/80/06/05/966800605.db2.gz NPUQFKAHSYDFGX-ZWNOBZJWSA-N 2 1 229.327 2.089 20 0 BEADMP CC[N@@H+]1C[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2C1 ZINC001203918037 966823136 /nfs/dbraw/zinc/82/31/36/966823136.db2.gz NCJYKDPXVCVQPP-OKILXGFUSA-N 2 1 248.345 2.209 20 0 BEADMP CC[N@@H+](CCn1ccnc1)Cc1ccc(O)cc1 ZINC001204098853 966895821 /nfs/dbraw/zinc/89/58/21/966895821.db2.gz LHYIIHRIQFMCJY-UHFFFAOYSA-N 2 1 245.326 2.111 20 0 BEADMP CCCC[N@@H+](CC)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001204611298 967104518 /nfs/dbraw/zinc/10/45/18/967104518.db2.gz KHTQFEMIKSXZPK-LBPRGKRZSA-N 2 1 228.380 2.223 20 0 BEADMP CCCC[N@@H+](CC)CC[C@H]1COC(C)(C)N1 ZINC001204611298 967104503 /nfs/dbraw/zinc/10/45/03/967104503.db2.gz KHTQFEMIKSXZPK-LBPRGKRZSA-N 2 1 228.380 2.223 20 0 BEADMP CCCC[N@H+](CC)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001204611298 967104510 /nfs/dbraw/zinc/10/45/10/967104510.db2.gz KHTQFEMIKSXZPK-LBPRGKRZSA-N 2 1 228.380 2.223 20 0 BEADMP CCC[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)[C@H](C)CC ZINC001204630201 967109241 /nfs/dbraw/zinc/10/92/41/967109241.db2.gz NSRQUTNKJQYLKM-NEPJUHHUSA-N 2 1 228.380 2.221 20 0 BEADMP CCC[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)[C@H](C)CC ZINC001204630201 967109247 /nfs/dbraw/zinc/10/92/47/967109247.db2.gz NSRQUTNKJQYLKM-NEPJUHHUSA-N 2 1 228.380 2.221 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)CC1 ZINC001204904331 967223683 /nfs/dbraw/zinc/22/36/83/967223683.db2.gz OTAMWQZPMWRASK-BFHYXJOUSA-N 2 1 234.387 2.402 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)CC1 ZINC001204904331 967223696 /nfs/dbraw/zinc/22/36/96/967223696.db2.gz OTAMWQZPMWRASK-BFHYXJOUSA-N 2 1 234.387 2.402 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc2[nH]ccc2c1 ZINC001205063920 967316239 /nfs/dbraw/zinc/31/62/39/967316239.db2.gz FIZLAYANEUDADV-FZMZJTMJSA-N 2 1 243.354 2.480 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc2[nH]ccc2c1 ZINC001205063920 967316254 /nfs/dbraw/zinc/31/62/54/967316254.db2.gz FIZLAYANEUDADV-FZMZJTMJSA-N 2 1 243.354 2.480 20 0 BEADMP CCOc1ccccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205095578 967337572 /nfs/dbraw/zinc/33/75/72/967337572.db2.gz ZMHBBPNMLHBJCG-AWEZNQCLSA-N 2 1 248.370 2.399 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)s1 ZINC001205093912 967339883 /nfs/dbraw/zinc/33/98/83/967339883.db2.gz HXPDJKGPSVYQRY-LLVKDONJSA-N 2 1 224.373 2.370 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+](CCc2cccs2)CC1 ZINC001205093764 967341434 /nfs/dbraw/zinc/34/14/34/967341434.db2.gz FWCWPMWNJQZIIK-LLVKDONJSA-N 2 1 224.373 2.104 20 0 BEADMP CN(C)c1cccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205109479 967352050 /nfs/dbraw/zinc/35/20/50/967352050.db2.gz GYHMZXWCVOAAAY-AWEZNQCLSA-N 2 1 247.386 2.066 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205109275 967352134 /nfs/dbraw/zinc/35/21/34/967352134.db2.gz DIFIVJKCTFVMOK-AWEZNQCLSA-N 2 1 236.334 2.447 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(C)n1 ZINC001205117128 967363264 /nfs/dbraw/zinc/36/32/64/967363264.db2.gz LGNSFOVESSWRPE-CQSZACIVSA-N 2 1 233.359 2.012 20 0 BEADMP Cc1cccc(CC[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205131395 967374257 /nfs/dbraw/zinc/37/42/57/967374257.db2.gz XTMKCRYYMXINTQ-DZGCQCFKSA-N 2 1 232.371 2.064 20 0 BEADMP COc1cc(C)cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205140918 967389621 /nfs/dbraw/zinc/38/96/21/967389621.db2.gz RRTSHHQOKHOFNM-GXTWGEPZSA-N 2 1 248.370 2.030 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)ccn1 ZINC001205263639 967454668 /nfs/dbraw/zinc/45/46/68/967454668.db2.gz BCQBDNLEDOUEIT-AWEZNQCLSA-N 2 1 233.359 2.093 20 0 BEADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccsc2)CC1 ZINC001205263899 967456220 /nfs/dbraw/zinc/45/62/20/967456220.db2.gz FMADWPWOLJWWNT-LBPRGKRZSA-N 2 1 224.373 2.451 20 0 BEADMP Cc1ccnc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205265827 967456931 /nfs/dbraw/zinc/45/69/31/967456931.db2.gz RQQJPMRYZOEWLJ-AWEZNQCLSA-N 2 1 233.359 2.093 20 0 BEADMP Cc1ncccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205266703 967457441 /nfs/dbraw/zinc/45/74/41/967457441.db2.gz WJEROUVAALZMDX-CQSZACIVSA-N 2 1 233.359 2.093 20 0 BEADMP Cc1ccncc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205273147 967467454 /nfs/dbraw/zinc/46/74/54/967467454.db2.gz GBLATKZTHHJFAH-CQSZACIVSA-N 2 1 233.359 2.093 20 0 BEADMP Cc1c(O)cccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205280897 967472458 /nfs/dbraw/zinc/47/24/58/967472458.db2.gz LGUZZPCNHRESSR-HNNXBMFYSA-N 2 1 248.370 2.404 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C[C@@H]1C[NH3+] ZINC001205297122 967495709 /nfs/dbraw/zinc/49/57/09/967495709.db2.gz ZKBTVZOWGRVMSJ-SEBNEYGDSA-N 2 1 234.387 2.115 20 0 BEADMP Cc1cnc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(C)c1 ZINC001205296171 967497616 /nfs/dbraw/zinc/49/76/16/967497616.db2.gz IICICOQJSIQKLF-OAHLLOKOSA-N 2 1 247.386 2.402 20 0 BEADMP CSCCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205603584 967721564 /nfs/dbraw/zinc/72/15/64/967721564.db2.gz QOUFCKSHKPOONP-NWDGAFQWSA-N 2 1 230.421 2.046 20 0 BEADMP Cc1ncccc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205618427 967725766 /nfs/dbraw/zinc/72/57/66/967725766.db2.gz VWFXTYUPXJKEDL-JSGCOSHPSA-N 2 1 247.386 2.197 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)[nH]1 ZINC001205618226 967727232 /nfs/dbraw/zinc/72/72/32/967727232.db2.gz SVGJCILYBLAVRH-AAEUAGOBSA-N 2 1 235.375 2.130 20 0 BEADMP Cc1cncc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205617582 967729382 /nfs/dbraw/zinc/72/93/82/967729382.db2.gz LCGYTXNEGSYDRW-DZGCQCFKSA-N 2 1 247.386 2.197 20 0 BEADMP C[C@@H]1CC[N@H+](Cc2cccc3cc[nH]c32)C[C@@H]1[NH3+] ZINC001205872632 967867885 /nfs/dbraw/zinc/86/78/85/967867885.db2.gz PKFQNZOVCKOYEV-RISCZKNCSA-N 2 1 243.354 2.337 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C[C@@H]1[NH3+] ZINC001205872632 967867887 /nfs/dbraw/zinc/86/78/87/967867887.db2.gz PKFQNZOVCKOYEV-RISCZKNCSA-N 2 1 243.354 2.337 20 0 BEADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001205901802 967876284 /nfs/dbraw/zinc/87/62/84/967876284.db2.gz GJODZEHNHGRGSI-KHMAMNHCSA-N 2 1 234.387 2.258 20 0 BEADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001205901957 967876638 /nfs/dbraw/zinc/87/66/38/967876638.db2.gz GJODZEHNHGRGSI-SEBNEYGDSA-N 2 1 234.387 2.258 20 0 BEADMP C[C@H]1C[N@@H+](CC(C)(C)C)CCC[C@@H]1C[NH3+] ZINC001205981140 967922736 /nfs/dbraw/zinc/92/27/36/967922736.db2.gz BXWMJAUPGZPUKG-NWDGAFQWSA-N 2 1 212.381 2.339 20 0 BEADMP C[C@@H]1CC[N@@H+](CCCC[NH3+])CCC1(F)F ZINC001205982183 967930731 /nfs/dbraw/zinc/93/07/31/967930731.db2.gz LIBFOKIILFYUHU-SNVBAGLBSA-N 2 1 220.307 2.093 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)o1 ZINC001205983916 967934328 /nfs/dbraw/zinc/93/43/28/967934328.db2.gz QGKOCEMIQVKVJL-AAEUAGOBSA-N 2 1 236.359 2.395 20 0 BEADMP C[C@H]1C[N@@H+](Cc2cccc(N)c2)CCC[C@H]1C[NH3+] ZINC001206013475 967968178 /nfs/dbraw/zinc/96/81/78/967968178.db2.gz ROHKQXXPBVZDSF-JSGCOSHPSA-N 2 1 247.386 2.076 20 0 BEADMP C[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@H]1[NH3+] ZINC001206049833 968012897 /nfs/dbraw/zinc/01/28/97/968012897.db2.gz SETXZSJVPRAJEX-MWLCHTKSSA-N 2 1 232.318 2.091 20 0 BEADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CCCCCC1 ZINC000693579846 968090498 /nfs/dbraw/zinc/09/04/98/968090498.db2.gz PRUDVEVESXDYNE-TXEJJXNPSA-N 2 1 210.365 2.378 20 0 BEADMP [NH3+][C@H]1CC[N@H+](Cc2ccccc2F)CC[C@H]1F ZINC001206157332 968096652 /nfs/dbraw/zinc/09/66/52/968096652.db2.gz XZFSYNQDJVFCBE-OLZOCXBDSA-N 2 1 240.297 2.087 20 0 BEADMP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2F)CC[C@H]1F ZINC001206157332 968096666 /nfs/dbraw/zinc/09/66/66/968096666.db2.gz XZFSYNQDJVFCBE-OLZOCXBDSA-N 2 1 240.297 2.087 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cs1 ZINC001206214219 968148537 /nfs/dbraw/zinc/14/85/37/968148537.db2.gz XWTCNWDLLMULDH-RYUDHWBXSA-N 2 1 242.363 2.318 20 0 BEADMP CC[C@@H](C)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206294003 968203456 /nfs/dbraw/zinc/20/34/56/968203456.db2.gz ILAFNCJFWUWUAQ-CHWSQXEVSA-N 2 1 212.381 2.483 20 0 BEADMP CSCCC[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206296342 968207493 /nfs/dbraw/zinc/20/74/93/968207493.db2.gz RJPMESNWHVVXHW-GFCCVEGCSA-N 2 1 230.421 2.190 20 0 BEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc(N)c2)CC1 ZINC001206317235 968226367 /nfs/dbraw/zinc/22/63/67/968226367.db2.gz DGBVWSGSQSZAMU-OAHLLOKOSA-N 2 1 247.386 2.220 20 0 BEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2N)CC1 ZINC001206326870 968234844 /nfs/dbraw/zinc/23/48/44/968234844.db2.gz PYZJPETYXHITLP-HNNXBMFYSA-N 2 1 247.386 2.220 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000387964944 968278177 /nfs/dbraw/zinc/27/81/77/968278177.db2.gz DVWYWKLUMBLBBS-YJBUHQLJSA-N 2 1 222.376 2.247 20 0 BEADMP Cc1cccnc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206549803 968376943 /nfs/dbraw/zinc/37/69/43/968376943.db2.gz PYVKUEUINPXHFC-HNNXBMFYSA-N 2 1 247.386 2.341 20 0 BEADMP Cc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)nc1 ZINC001206556812 968379799 /nfs/dbraw/zinc/37/97/99/968379799.db2.gz XNAGTOUHGODZLV-OAHLLOKOSA-N 2 1 247.386 2.341 20 0 BEADMP Cn1c[nH+]c2cccc(Nc3cc[nH+]c(N)c3)c21 ZINC001206578177 968395713 /nfs/dbraw/zinc/39/57/13/968395713.db2.gz JQUQYXIPVFHDAJ-UHFFFAOYSA-N 2 1 239.282 2.294 20 0 BEADMP CC1(C[NH3+])C[NH+](CCCc2cccc(F)c2)C1 ZINC001206711629 968436989 /nfs/dbraw/zinc/43/69/89/968436989.db2.gz MBLJHPIFGGBIOW-UHFFFAOYSA-N 2 1 236.334 2.039 20 0 BEADMP C[C@H]1CC[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)C1 ZINC000085869187 968509362 /nfs/dbraw/zinc/50/93/62/968509362.db2.gz GLRZLXGJJPLQRQ-YWPUVAFDSA-N 2 1 210.365 2.377 20 0 BEADMP [NH3+]C/C=C/CNc1[nH+]ccc2ccccc21 ZINC000164522565 968522072 /nfs/dbraw/zinc/52/20/72/968522072.db2.gz DRDMRPWTLIWJPH-ONEGZZNKSA-N 2 1 213.284 2.162 20 0 BEADMP C[N@@H+](CC1CCCC1)C[C@@H]1CCCC[NH2+]C1 ZINC000829275125 968825739 /nfs/dbraw/zinc/82/57/39/968825739.db2.gz KLUYVMYNMVUWLQ-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP C[N@@H+]1CC=C(c2ccc(C3([NH3+])CC3)cc2)CC1 ZINC001241322777 968975679 /nfs/dbraw/zinc/97/56/79/968975679.db2.gz SMINZYNHKBLXOW-UHFFFAOYSA-N 2 1 228.339 2.353 20 0 BEADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H](F)C2)CC1 ZINC001208105798 968999546 /nfs/dbraw/zinc/99/95/46/968999546.db2.gz CMCKHKSJVDRPII-GFCCVEGCSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC(C)(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC001208102315 969002044 /nfs/dbraw/zinc/00/20/44/969002044.db2.gz DRPAIIVMDUHELG-OKILXGFUSA-N 2 1 236.403 2.450 20 0 BEADMP CS[C@H](C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001208137479 969046964 /nfs/dbraw/zinc/04/69/64/969046964.db2.gz IXMRPKOOJIYYTN-LLVKDONJSA-N 2 1 230.421 2.154 20 0 BEADMP CS[C@H](C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001208137479 969046972 /nfs/dbraw/zinc/04/69/72/969046972.db2.gz IXMRPKOOJIYYTN-LLVKDONJSA-N 2 1 230.421 2.154 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)CCC(C)C ZINC000349380903 969081579 /nfs/dbraw/zinc/08/15/79/969081579.db2.gz GAUCGFFKRNFZHS-UHFFFAOYSA-N 2 1 200.370 2.306 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)CC1CCOCC1 ZINC000349415241 969095616 /nfs/dbraw/zinc/09/56/16/969095616.db2.gz IIBTVRHZIRMYGN-UHFFFAOYSA-N 2 1 242.407 2.077 20 0 BEADMP Cc1ccccc1OCC[N@H+](C)C1CC[NH2+]CC1 ZINC000036300531 969153907 /nfs/dbraw/zinc/15/39/07/969153907.db2.gz QISUPFFXZNXNLN-UHFFFAOYSA-N 2 1 248.370 2.058 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(C)(F)CC2)C1 ZINC001208605097 969156384 /nfs/dbraw/zinc/15/63/84/969156384.db2.gz YRSCQXHYKFHJAL-LBPRGKRZSA-N 2 1 228.355 2.152 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@H]3CCC[C@H]3C2)C1 ZINC001208605175 969158118 /nfs/dbraw/zinc/15/81/18/969158118.db2.gz AJMCXDZMFNZIRN-KKUMJFAQSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)C1 ZINC001208605175 969158119 /nfs/dbraw/zinc/15/81/19/969158119.db2.gz AJMCXDZMFNZIRN-KKUMJFAQSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@H]3CCC[C@H]3C2)C1 ZINC001208605175 969158122 /nfs/dbraw/zinc/15/81/22/969158122.db2.gz AJMCXDZMFNZIRN-KKUMJFAQSA-N 2 1 236.403 2.450 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@](C)(CF)C2)C1 ZINC001208607259 969164738 /nfs/dbraw/zinc/16/47/38/969164738.db2.gz KXMLWNWMGAYRBL-QWHCGFSZSA-N 2 1 228.355 2.010 20 0 BEADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@](C)(CF)C2)C1 ZINC001208607259 969164744 /nfs/dbraw/zinc/16/47/44/969164744.db2.gz KXMLWNWMGAYRBL-QWHCGFSZSA-N 2 1 228.355 2.010 20 0 BEADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@](C)(CF)C2)C1 ZINC001208607259 969164747 /nfs/dbraw/zinc/16/47/47/969164747.db2.gz KXMLWNWMGAYRBL-QWHCGFSZSA-N 2 1 228.355 2.010 20 0 BEADMP CC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208609587 969167750 /nfs/dbraw/zinc/16/77/50/969167750.db2.gz UXLGVDQAVFHIOF-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208609587 969167755 /nfs/dbraw/zinc/16/77/55/969167755.db2.gz UXLGVDQAVFHIOF-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@@H]1CCC[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC001208609587 969167758 /nfs/dbraw/zinc/16/77/58/969167758.db2.gz UXLGVDQAVFHIOF-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@@H]1CCC[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208609587 969167764 /nfs/dbraw/zinc/16/77/64/969167764.db2.gz UXLGVDQAVFHIOF-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCCCC23CC3)C1 ZINC001208614319 969170291 /nfs/dbraw/zinc/17/02/91/969170291.db2.gz CLYANLWYJYMPSB-CYBMUJFWSA-N 2 1 222.376 2.347 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCCCC23CC3)C1 ZINC001208614319 969170295 /nfs/dbraw/zinc/17/02/95/969170295.db2.gz CLYANLWYJYMPSB-CYBMUJFWSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCCCC23CC3)C1 ZINC001208614319 969170300 /nfs/dbraw/zinc/17/03/00/969170300.db2.gz CLYANLWYJYMPSB-CYBMUJFWSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@H+]2CCCCC23CC3)C1 ZINC001208614319 969170301 /nfs/dbraw/zinc/17/03/01/969170301.db2.gz CLYANLWYJYMPSB-CYBMUJFWSA-N 2 1 222.376 2.347 20 0 BEADMP C[N@@H+](C1CC1)C1CC[NH+](CCC2CC2)CC1 ZINC001208688055 969194807 /nfs/dbraw/zinc/19/48/07/969194807.db2.gz JLJGDODVFSSNQE-UHFFFAOYSA-N 2 1 222.376 2.345 20 0 BEADMP Cc1cc(N)[nH+]cc1-c1cccc2c1CC[NH2+]C2 ZINC001242085523 969201620 /nfs/dbraw/zinc/20/16/20/969201620.db2.gz VJBUARRULJAXKU-UHFFFAOYSA-N 2 1 239.322 2.285 20 0 BEADMP Cc1ccnc(C)c1NC1=CC[N@@H+](C)CC1 ZINC001208742870 969230652 /nfs/dbraw/zinc/23/06/52/969230652.db2.gz YIIOHBWPEMRGHJ-UHFFFAOYSA-N 2 1 217.316 2.330 20 0 BEADMP Cc1cnccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205995730 969264518 /nfs/dbraw/zinc/26/45/18/969264518.db2.gz PSICHOYFJPVYRV-KBPBESRZSA-N 2 1 247.386 2.197 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccoc2)CCC[C@H]1C[NH3+] ZINC001205996331 969304339 /nfs/dbraw/zinc/30/43/39/969304339.db2.gz WGQIDGOMUCXZBF-AAEUAGOBSA-N 2 1 222.332 2.086 20 0 BEADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCC3)C2)cc1 ZINC001208947515 969312638 /nfs/dbraw/zinc/31/26/38/969312638.db2.gz LMYGICLKKTUERM-HNNXBMFYSA-N 2 1 230.355 2.214 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccco1)C2 ZINC001169096148 969383943 /nfs/dbraw/zinc/38/39/43/969383943.db2.gz UVOLIJQRSSMGBW-XYYAHUGASA-N 2 1 234.343 2.037 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(O)cc1)C2 ZINC001169093102 969385791 /nfs/dbraw/zinc/38/57/91/969385791.db2.gz FNZMGBHQZOKQKP-ZSOGYDGISA-N 2 1 246.354 2.107 20 0 BEADMP Cc1ncccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169093049 969387195 /nfs/dbraw/zinc/38/71/95/969387195.db2.gz FIGGPXKAFISTLS-QKDCVEJESA-N 2 1 245.370 2.105 20 0 BEADMP Cc1ncccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169093049 969387201 /nfs/dbraw/zinc/38/72/01/969387201.db2.gz FIGGPXKAFISTLS-QKDCVEJESA-N 2 1 245.370 2.105 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@@H](F)C1)C2 ZINC001169080307 969404184 /nfs/dbraw/zinc/40/41/84/969404184.db2.gz MKXOZRKMGONXRD-NJMOYASZSA-N 2 1 226.339 2.092 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C2 ZINC001169079812 969404538 /nfs/dbraw/zinc/40/45/38/969404538.db2.gz LRSBOXJDDFOICL-ILWJIGKKSA-N 2 1 236.281 2.154 20 0 BEADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCC1 ZINC001169118770 969412149 /nfs/dbraw/zinc/41/21/49/969412149.db2.gz NFYCYGBPVWDOJO-ZRJCITRHSA-N 2 1 222.376 2.390 20 0 BEADMP C[C@@H]1CCCC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123390 969418046 /nfs/dbraw/zinc/41/80/46/969418046.db2.gz KOLAETVAOWQEGT-YIYPIFLZSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@@H]1CCCC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123390 969418054 /nfs/dbraw/zinc/41/80/54/969418054.db2.gz KOLAETVAOWQEGT-YIYPIFLZSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@@H]1CCCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169123390 969418058 /nfs/dbraw/zinc/41/80/58/969418058.db2.gz KOLAETVAOWQEGT-YIYPIFLZSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@@H]1CCCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169123390 969418062 /nfs/dbraw/zinc/41/80/62/969418062.db2.gz KOLAETVAOWQEGT-YIYPIFLZSA-N 2 1 222.376 2.486 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCCCC1)C2 ZINC001169124307 969418364 /nfs/dbraw/zinc/41/83/64/969418364.db2.gz BUSBXTGDXRTUOU-WDNDVIMCSA-N 2 1 222.376 2.488 20 0 BEADMP C[C@@H]1C[C@@H](F)C[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126107 969428771 /nfs/dbraw/zinc/42/87/71/969428771.db2.gz PPDIHFOCCWNNPC-NJMOYASZSA-N 2 1 226.339 2.044 20 0 BEADMP C[C@@H]1C[C@@H](F)C[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126107 969428775 /nfs/dbraw/zinc/42/87/75/969428775.db2.gz PPDIHFOCCWNNPC-NJMOYASZSA-N 2 1 226.339 2.044 20 0 BEADMP C[C@@H]1C[C@@H](F)C[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126107 969428780 /nfs/dbraw/zinc/42/87/80/969428780.db2.gz PPDIHFOCCWNNPC-NJMOYASZSA-N 2 1 226.339 2.044 20 0 BEADMP C[C@@H]1C[C@@H](F)C[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126107 969428782 /nfs/dbraw/zinc/42/87/82/969428782.db2.gz PPDIHFOCCWNNPC-NJMOYASZSA-N 2 1 226.339 2.044 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@@H](F)C1)C2 ZINC001169126564 969433653 /nfs/dbraw/zinc/43/36/53/969433653.db2.gz WJMJAGXIPJWLHS-MQYQWHSLSA-N 2 1 240.366 2.436 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@@H](F)C1)C2 ZINC001169126564 969433658 /nfs/dbraw/zinc/43/36/58/969433658.db2.gz WJMJAGXIPJWLHS-MQYQWHSLSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC[C@@H](F)C1)C2 ZINC001169126564 969433661 /nfs/dbraw/zinc/43/36/61/969433661.db2.gz WJMJAGXIPJWLHS-MQYQWHSLSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC[C@@H](F)C1)C2 ZINC001169126564 969433666 /nfs/dbraw/zinc/43/36/66/969433666.db2.gz WJMJAGXIPJWLHS-MQYQWHSLSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](CF)C1)C2 ZINC001169142798 969453237 /nfs/dbraw/zinc/45/32/37/969453237.db2.gz VXSKCKDKLRTOTK-MQYQWHSLSA-N 2 1 240.366 2.293 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H](CF)C1)C2 ZINC001169142798 969453249 /nfs/dbraw/zinc/45/32/49/969453249.db2.gz VXSKCKDKLRTOTK-MQYQWHSLSA-N 2 1 240.366 2.293 20 0 BEADMP CC[C@@H]1CCC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169143139 969467253 /nfs/dbraw/zinc/46/72/53/969467253.db2.gz YFNNESGIUXTJBM-MQYQWHSLSA-N 2 1 222.376 2.486 20 0 BEADMP CC[C@@H]1CCC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169143139 969467264 /nfs/dbraw/zinc/46/72/64/969467264.db2.gz YFNNESGIUXTJBM-MQYQWHSLSA-N 2 1 222.376 2.486 20 0 BEADMP CC[C@@H]1CCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169143139 969467272 /nfs/dbraw/zinc/46/72/72/969467272.db2.gz YFNNESGIUXTJBM-MQYQWHSLSA-N 2 1 222.376 2.486 20 0 BEADMP CC[C@@H]1CCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169143139 969467278 /nfs/dbraw/zinc/46/72/78/969467278.db2.gz YFNNESGIUXTJBM-MQYQWHSLSA-N 2 1 222.376 2.486 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](CC1CC1)C1CC1)C2 ZINC001169153579 969469606 /nfs/dbraw/zinc/46/96/06/969469606.db2.gz LAVCBUMNKWNGIG-QDMKHBRRSA-N 2 1 234.387 2.486 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](CC1CC1)C1CC1)C2 ZINC001169153579 969469616 /nfs/dbraw/zinc/46/96/16/969469616.db2.gz LAVCBUMNKWNGIG-QDMKHBRRSA-N 2 1 234.387 2.486 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+](CC1CC1)C1CC1)C2 ZINC001169153579 969469627 /nfs/dbraw/zinc/46/96/27/969469627.db2.gz LAVCBUMNKWNGIG-QDMKHBRRSA-N 2 1 234.387 2.486 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+](CC1CC1)C1CC1)C2 ZINC001169153579 969469638 /nfs/dbraw/zinc/46/96/38/969469638.db2.gz LAVCBUMNKWNGIG-QDMKHBRRSA-N 2 1 234.387 2.486 20 0 BEADMP C(C[N@H+]1CCC2(CC2)C1)C[NH+]1CCCCC1 ZINC001209449206 969516712 /nfs/dbraw/zinc/51/67/12/969516712.db2.gz DHCZJHLPUULWNK-UHFFFAOYSA-N 2 1 222.376 2.348 20 0 BEADMP CC[NH+]1CCC([NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001169263894 969520636 /nfs/dbraw/zinc/52/06/36/969520636.db2.gz COGMJGNCZWRSPO-CHWSQXEVSA-N 2 1 224.392 2.449 20 0 BEADMP CCN1CCC([N@H+]2CCC[C@H](F)CC2)CC1 ZINC001169246288 969537533 /nfs/dbraw/zinc/53/75/33/969537533.db2.gz SEJVBZJXNRQYHB-LBPRGKRZSA-N 2 1 228.355 2.295 20 0 BEADMP CC[NH+]1CCC([N@@H+]2CCC[C@H](F)CC2)CC1 ZINC001169246288 969537542 /nfs/dbraw/zinc/53/75/42/969537542.db2.gz SEJVBZJXNRQYHB-LBPRGKRZSA-N 2 1 228.355 2.295 20 0 BEADMP CC[NH+]1CCC([N@H+]2CCC[C@H](F)CC2)CC1 ZINC001169246288 969537547 /nfs/dbraw/zinc/53/75/47/969537547.db2.gz SEJVBZJXNRQYHB-LBPRGKRZSA-N 2 1 228.355 2.295 20 0 BEADMP CCN1CCC([N@H+]2CC[C@](C)(CF)C2)CC1 ZINC001169246266 969537603 /nfs/dbraw/zinc/53/76/03/969537603.db2.gz RRDXSLHFZUJWSR-CYBMUJFWSA-N 2 1 228.355 2.152 20 0 BEADMP CC[NH+]1CCC([N@@H+]2CC[C@](C)(CF)C2)CC1 ZINC001169246266 969537611 /nfs/dbraw/zinc/53/76/11/969537611.db2.gz RRDXSLHFZUJWSR-CYBMUJFWSA-N 2 1 228.355 2.152 20 0 BEADMP CC[NH+]1CCC([N@H+]2CC[C@](C)(CF)C2)CC1 ZINC001169246266 969537617 /nfs/dbraw/zinc/53/76/17/969537617.db2.gz RRDXSLHFZUJWSR-CYBMUJFWSA-N 2 1 228.355 2.152 20 0 BEADMP Nc1cc[nH+]cc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC001209729663 969584762 /nfs/dbraw/zinc/58/47/62/969584762.db2.gz QNPVHIKAIMDTJL-VXGBXAGGSA-N 2 1 231.343 2.116 20 0 BEADMP Nc1cc[nH+]cc1C[NH+]1CC2CCC(CC2)C1 ZINC001209737374 969599967 /nfs/dbraw/zinc/59/99/67/969599967.db2.gz LHKWFXHMEISTRG-UHFFFAOYSA-N 2 1 231.343 2.116 20 0 BEADMP C[C@@H](C[NH3+])C[N@@H+](C)C1CCc2ccccc2CC1 ZINC001254454866 969642911 /nfs/dbraw/zinc/64/29/11/969642911.db2.gz JCHPOKAHKOPQIB-ZDUSSCGKSA-N 2 1 246.398 2.461 20 0 BEADMP CC(C)(C[NH3+])[NH2+]C1CCc2ccccc2CC1 ZINC001254450557 969645142 /nfs/dbraw/zinc/64/51/42/969645142.db2.gz VPPVQDLEUORYCL-UHFFFAOYSA-N 2 1 232.371 2.261 20 0 BEADMP Cc1c[nH+]ccc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209841198 969650651 /nfs/dbraw/zinc/65/06/51/969650651.db2.gz FYJRBTHLWBOCOV-UHFFFAOYSA-N 2 1 224.267 2.432 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ncccc32)CC1 ZINC001254506944 969672011 /nfs/dbraw/zinc/67/20/11/969672011.db2.gz DDUCEFOKQIXHGV-SWLSCSKDSA-N 2 1 245.370 2.143 20 0 BEADMP Cc1ccnc(CC[NH2+][C@@H]2CCC[N@H+](C)CC2)c1 ZINC001254505893 969676091 /nfs/dbraw/zinc/67/60/91/969676091.db2.gz KZHHZWMYXQUVCU-CQSZACIVSA-N 2 1 247.386 2.006 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1cccc(N)c1 ZINC001254509305 969684480 /nfs/dbraw/zinc/68/44/80/969684480.db2.gz YMTHBOPDNQPZEY-SWLSCSKDSA-N 2 1 247.386 2.404 20 0 BEADMP CC[N@H+](Cc1ccccn1)[C@H]1CCC[NH+](C)CC1 ZINC001254525713 969715622 /nfs/dbraw/zinc/71/56/22/969715622.db2.gz LILNHTZITGPQCT-HNNXBMFYSA-N 2 1 247.386 2.388 20 0 BEADMP CC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH+](C)CC1 ZINC001254525713 969715632 /nfs/dbraw/zinc/71/56/32/969715632.db2.gz LILNHTZITGPQCT-HNNXBMFYSA-N 2 1 247.386 2.388 20 0 BEADMP CC[NH+](Cc1ccccn1)[C@H]1CCC[N@H+](C)CC1 ZINC001254525713 969715639 /nfs/dbraw/zinc/71/56/39/969715639.db2.gz LILNHTZITGPQCT-HNNXBMFYSA-N 2 1 247.386 2.388 20 0 BEADMP CC[NH+](Cc1ccccn1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254525713 969715647 /nfs/dbraw/zinc/71/56/47/969715647.db2.gz LILNHTZITGPQCT-HNNXBMFYSA-N 2 1 247.386 2.388 20 0 BEADMP C[N@@H+](CCc1cccnc1)[C@H]1CCC[NH+](C)CC1 ZINC001254525447 969719700 /nfs/dbraw/zinc/71/97/00/969719700.db2.gz ISMBUIRCJDXTGJ-HNNXBMFYSA-N 2 1 247.386 2.040 20 0 BEADMP C[NH+](CCc1cccnc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254525447 969719709 /nfs/dbraw/zinc/71/97/09/969719709.db2.gz ISMBUIRCJDXTGJ-HNNXBMFYSA-N 2 1 247.386 2.040 20 0 BEADMP C[NH+](CCc1cccnc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254525447 969719718 /nfs/dbraw/zinc/71/97/18/969719718.db2.gz ISMBUIRCJDXTGJ-HNNXBMFYSA-N 2 1 247.386 2.040 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[NH2+][C@@H](C)CC2)c1C ZINC001210474645 969900789 /nfs/dbraw/zinc/90/07/89/969900789.db2.gz HPBXFZIOXJCNHE-ZDUSSCGKSA-N 2 1 232.371 2.487 20 0 BEADMP Cc1cccc(C[N@H+]2CC[NH2+][C@@H](C)CC2)c1C ZINC001210474645 969900795 /nfs/dbraw/zinc/90/07/95/969900795.db2.gz HPBXFZIOXJCNHE-ZDUSSCGKSA-N 2 1 232.371 2.487 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2CC[NH2+][C@H](C)CC2)c1 ZINC001210474600 969901041 /nfs/dbraw/zinc/90/10/41/969901041.db2.gz GXGPJABIAJDXBQ-CQSZACIVSA-N 2 1 232.371 2.487 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CC[NH2+][C@H](C)CC2)c1 ZINC001210474600 969901052 /nfs/dbraw/zinc/90/10/52/969901052.db2.gz GXGPJABIAJDXBQ-CQSZACIVSA-N 2 1 232.371 2.487 20 0 BEADMP CCCC[NH+]1CCC([N@@H+](C)[C@H](C)COC)CC1 ZINC001255577375 970375554 /nfs/dbraw/zinc/37/55/54/970375554.db2.gz FXVLNILSEYPAQW-CYBMUJFWSA-N 2 1 242.407 2.218 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[C@@H](C)C1 ZINC001170156373 970484028 /nfs/dbraw/zinc/48/40/28/970484028.db2.gz DUDNIHKFWMOWPX-CHWSQXEVSA-N 2 1 212.381 2.449 20 0 BEADMP Cc1ccc(C[C@@H](C)[NH2+]C2(C[NH3+])CC2)cc1 ZINC001255785279 970487897 /nfs/dbraw/zinc/48/78/97/970487897.db2.gz ZNEJMWPEXGEWAR-GFCCVEGCSA-N 2 1 218.344 2.007 20 0 BEADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]C(C)(C)C[NH3+] ZINC001255857602 970501381 /nfs/dbraw/zinc/50/13/81/970501381.db2.gz WEYWNJLZGMFFIQ-JTQLQIEISA-N 2 1 224.323 2.084 20 0 BEADMP C[NH2+][C@H]1CC[N@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000400138105 970554695 /nfs/dbraw/zinc/55/46/95/970554695.db2.gz YUCYAQHPUGPFSG-HOAMVYINSA-N 2 1 222.376 2.106 20 0 BEADMP C[NH2+][C@H]1CC[N@@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000400138105 970554711 /nfs/dbraw/zinc/55/47/11/970554711.db2.gz YUCYAQHPUGPFSG-HOAMVYINSA-N 2 1 222.376 2.106 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cccn1C ZINC001255941530 970569802 /nfs/dbraw/zinc/56/98/02/970569802.db2.gz SQBZUFQEIRDDIQ-CYBMUJFWSA-N 2 1 237.391 2.235 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)CCSC ZINC001255972109 970606930 /nfs/dbraw/zinc/60/69/30/970606930.db2.gz NLQWVAUMINCWIO-GFCCVEGCSA-N 2 1 232.437 2.402 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CC([C@H](C)OC)C1 ZINC001255970751 970608197 /nfs/dbraw/zinc/60/81/97/970608197.db2.gz FPBUHCQEOPRMSD-OLZOCXBDSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@H]1C[C@@H]([N@@H+](CC)CCC[NH+](C)C)CCO1 ZINC001170238945 970619300 /nfs/dbraw/zinc/61/93/00/970619300.db2.gz LJMXGNAMYNBNQR-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP CC[N@@H+](C1CC1)C1CCN(C2CC2)CC1 ZINC001256072290 970635811 /nfs/dbraw/zinc/63/58/11/970635811.db2.gz AMKQYDOWCRDRSD-UHFFFAOYSA-N 2 1 208.349 2.098 20 0 BEADMP CC(C)C[N@H+](C)C1CC[NH+](C2CC2)CC1 ZINC001256073742 970642344 /nfs/dbraw/zinc/64/23/44/970642344.db2.gz YLWBUXNNZAGNMY-UHFFFAOYSA-N 2 1 210.365 2.201 20 0 BEADMP CC(C)C[N@@H+](C)C1CC[NH+](C2CC2)CC1 ZINC001256073742 970642352 /nfs/dbraw/zinc/64/23/52/970642352.db2.gz YLWBUXNNZAGNMY-UHFFFAOYSA-N 2 1 210.365 2.201 20 0 BEADMP CCCC[N@H+](C)C1CC[NH+](C2CC2)CC1 ZINC001256072306 970644852 /nfs/dbraw/zinc/64/48/52/970644852.db2.gz AWVCUHLABIRHPD-UHFFFAOYSA-N 2 1 210.365 2.345 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@@H]2CCC(C)(C)C2)CC1 ZINC001256199339 970693417 /nfs/dbraw/zinc/69/34/17/970693417.db2.gz MPMALCDFTYSNJN-GFCCVEGCSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH+]1CCC([N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CC1 ZINC001256204485 970701718 /nfs/dbraw/zinc/70/17/18/970701718.db2.gz SSMRLMDIUCIKII-PWSUYJOCSA-N 2 1 244.329 2.058 20 0 BEADMP C[NH+]1CCC([N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CC1 ZINC001256204485 970701726 /nfs/dbraw/zinc/70/17/26/970701726.db2.gz SSMRLMDIUCIKII-PWSUYJOCSA-N 2 1 244.329 2.058 20 0 BEADMP C[NH+]1CCC([N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CC1 ZINC001256203488 970702063 /nfs/dbraw/zinc/70/20/63/970702063.db2.gz ZBSGXASWNFQFNE-PHIMTYICSA-N 2 1 244.329 2.058 20 0 BEADMP C[NH+]1CCC([N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CC1 ZINC001256203488 970702067 /nfs/dbraw/zinc/70/20/67/970702067.db2.gz ZBSGXASWNFQFNE-PHIMTYICSA-N 2 1 244.329 2.058 20 0 BEADMP COc1cccc2c1C[N@@H+](C1CCN(C)CC1)C2 ZINC001256211514 970720581 /nfs/dbraw/zinc/72/05/81/970720581.db2.gz YWEWDCLCHIRJBT-UHFFFAOYSA-N 2 1 246.354 2.105 20 0 BEADMP COc1cccc2c1C[N@H+](C1CCN(C)CC1)C2 ZINC001256211514 970720590 /nfs/dbraw/zinc/72/05/90/970720590.db2.gz YWEWDCLCHIRJBT-UHFFFAOYSA-N 2 1 246.354 2.105 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)C1 ZINC001246548263 972681429 /nfs/dbraw/zinc/68/14/29/972681429.db2.gz JVTMBMAWZAFVAJ-UPJWGTAASA-N 2 1 228.355 2.328 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC001327839356 972755198 /nfs/dbraw/zinc/75/51/98/972755198.db2.gz GTPOHZZHHIWSLN-ZJUUUORDSA-N 2 1 241.766 2.241 20 0 BEADMP C[C@@H](CC1CC1)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246560395 972792492 /nfs/dbraw/zinc/79/24/92/972792492.db2.gz ULPMPFLRVLILIC-GXSJLCMTSA-N 2 1 232.318 2.091 20 0 BEADMP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001246577789 972893970 /nfs/dbraw/zinc/89/39/70/972893970.db2.gz PPYPWULJAVSTJH-CRWXNKLISA-N 2 1 222.376 2.236 20 0 BEADMP C[C@@H]1C[C@@H]([NH+]2CC3(C[NH2+]C3)C2)CC(C)(C)C1 ZINC001246612096 973031685 /nfs/dbraw/zinc/03/16/85/973031685.db2.gz FKRKSSUGXRYANH-VXGBXAGGSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@@H]1CC([N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)C[C@@H](C)C1 ZINC001246658233 973065740 /nfs/dbraw/zinc/06/57/40/973065740.db2.gz PTIXQQFTQWEXDV-XPCVCDNBSA-N 2 1 236.403 2.495 20 0 BEADMP CC1(C)CCC([N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC001246846540 973149310 /nfs/dbraw/zinc/14/93/10/973149310.db2.gz OOBXKTQTQUVPOR-CHWSQXEVSA-N 2 1 236.403 2.497 20 0 BEADMP CC1(C)CCC([N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC001246846542 973152497 /nfs/dbraw/zinc/15/24/97/973152497.db2.gz OOBXKTQTQUVPOR-OLZOCXBDSA-N 2 1 236.403 2.497 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cncc(C)c1 ZINC001329024804 973431986 /nfs/dbraw/zinc/43/19/86/973431986.db2.gz VDJCYOWFDUBEBE-VXGBXAGGSA-N 2 1 221.348 2.039 20 0 BEADMP CC(C)(C)C1CCC([N@H+]2C[C@H]3C[NH2+][C@H]3C2)CC1 ZINC001246928469 973549536 /nfs/dbraw/zinc/54/95/36/973549536.db2.gz ZYOPJKSKJDISFO-RYSNWHEDSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@H]1C[C@@H](C[N@@H+](C)CCC(F)(F)F)CC[NH2+]1 ZINC000235657776 973878677 /nfs/dbraw/zinc/87/86/77/973878677.db2.gz NJHQWIPDOWSIFV-UWVGGRQHSA-N 2 1 238.297 2.259 20 0 BEADMP CCOC(=[NH2+])CCCCO[C@H](C)C[NH+](C)C ZINC001224963148 974102352 /nfs/dbraw/zinc/10/23/52/974102352.db2.gz HHYSEPXDQNOLLO-LLVKDONJSA-N 2 1 230.352 2.137 20 0 BEADMP c1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)nc1 ZINC000257708536 974111767 /nfs/dbraw/zinc/11/17/67/974111767.db2.gz NELHRCCSNBWINZ-UHFFFAOYSA-N 2 1 245.370 2.047 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206152811 974228511 /nfs/dbraw/zinc/22/85/11/974228511.db2.gz BEJPOQILGXHIMV-NEPJUHHUSA-N 2 1 216.344 2.184 20 0 BEADMP CCC(CC)C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206152811 974228530 /nfs/dbraw/zinc/22/85/30/974228530.db2.gz BEJPOQILGXHIMV-NEPJUHHUSA-N 2 1 216.344 2.184 20 0 BEADMP [NH3+][C@H]1CC[N@@H+](CCCC(F)(F)F)CC[C@H]1F ZINC001206153487 974256065 /nfs/dbraw/zinc/25/60/65/974256065.db2.gz CXAMZBPKYKONHI-BDAKNGLRSA-N 2 1 242.260 2.090 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](CCCC(F)(F)F)CC[C@@H]1F ZINC001206153639 974260741 /nfs/dbraw/zinc/26/07/41/974260741.db2.gz CXAMZBPKYKONHI-DTWKUNHWSA-N 2 1 242.260 2.090 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)C2 ZINC001172098520 974338979 /nfs/dbraw/zinc/33/89/79/974338979.db2.gz FMXHXHGBFRTMDP-KSTCHIGDSA-N 2 1 240.366 2.482 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)C2 ZINC001172098520 974338987 /nfs/dbraw/zinc/33/89/87/974338987.db2.gz FMXHXHGBFRTMDP-KSTCHIGDSA-N 2 1 240.366 2.482 20 0 BEADMP Cc1oncc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172098680 974340112 /nfs/dbraw/zinc/34/01/12/974340112.db2.gz GPALDGVPYQNJED-BTTYYORXSA-N 2 1 249.358 2.088 20 0 BEADMP Cc1oncc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098680 974340119 /nfs/dbraw/zinc/34/01/19/974340119.db2.gz GPALDGVPYQNJED-BTTYYORXSA-N 2 1 249.358 2.088 20 0 BEADMP C[C@H]([NH3+])c1nccn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098431 974340773 /nfs/dbraw/zinc/34/07/73/974340773.db2.gz DWPHZWXIDWHONC-WUHRBBMRSA-N 2 1 248.374 2.091 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC(F)(F)C1)C2 ZINC001172099708 974345415 /nfs/dbraw/zinc/34/54/15/974345415.db2.gz MZDBRYBHXJEXNJ-WLLOZRIZSA-N 2 1 244.329 2.389 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC(F)(F)C1)C2 ZINC001172099708 974345422 /nfs/dbraw/zinc/34/54/22/974345422.db2.gz MZDBRYBHXJEXNJ-WLLOZRIZSA-N 2 1 244.329 2.389 20 0 BEADMP CCOCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099519 974347747 /nfs/dbraw/zinc/34/77/47/974347747.db2.gz JAMNPKOTZZTJDW-BTTYYORXSA-N 2 1 240.391 2.018 20 0 BEADMP C[NH+](Cc1ccno1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172131660 974356806 /nfs/dbraw/zinc/35/68/06/974356806.db2.gz XVFBMAZRFKTKQR-ITGUQSILSA-N 2 1 249.358 2.122 20 0 BEADMP C[N@@H+](Cc1ccno1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131660 974356798 /nfs/dbraw/zinc/35/67/98/974356798.db2.gz XVFBMAZRFKTKQR-ITGUQSILSA-N 2 1 249.358 2.122 20 0 BEADMP C[N@H+](Cc1ccno1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131660 974356793 /nfs/dbraw/zinc/35/67/93/974356793.db2.gz XVFBMAZRFKTKQR-ITGUQSILSA-N 2 1 249.358 2.122 20 0 BEADMP C[NH+](Cc1ccno1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172131660 974356817 /nfs/dbraw/zinc/35/68/17/974356817.db2.gz XVFBMAZRFKTKQR-ITGUQSILSA-N 2 1 249.358 2.122 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(F)CCC1)C2 ZINC001172107767 974364077 /nfs/dbraw/zinc/36/40/77/974364077.db2.gz BXFKATZVSGUJSB-CLLJXQQHSA-N 2 1 240.366 2.484 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH+](C)C)[C@H]1CC1(F)F ZINC001330628001 974372193 /nfs/dbraw/zinc/37/21/93/974372193.db2.gz ZXBZOCNKOSMYJQ-IRCOFANPSA-N 2 1 246.345 2.493 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC1(C)C)C2 ZINC001172112609 974377400 /nfs/dbraw/zinc/37/74/00/974377400.db2.gz YDIACNBISYQJHC-RNJOBUHISA-N 2 1 222.376 2.390 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC1(C)C)C2 ZINC001172112609 974377409 /nfs/dbraw/zinc/37/74/09/974377409.db2.gz YDIACNBISYQJHC-RNJOBUHISA-N 2 1 222.376 2.390 20 0 BEADMP C[C@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172122070 974389690 /nfs/dbraw/zinc/38/96/90/974389690.db2.gz WLSKMFRFNQGOEX-IGQOVBAYSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172122070 974389698 /nfs/dbraw/zinc/38/96/98/974389698.db2.gz WLSKMFRFNQGOEX-IGQOVBAYSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172122070 974389705 /nfs/dbraw/zinc/38/97/05/974389705.db2.gz WLSKMFRFNQGOEX-IGQOVBAYSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172122070 974389715 /nfs/dbraw/zinc/38/97/15/974389715.db2.gz WLSKMFRFNQGOEX-IGQOVBAYSA-N 2 1 222.376 2.344 20 0 BEADMP CC/C=C\CCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206157457 974392228 /nfs/dbraw/zinc/39/22/28/974392228.db2.gz YTFIQBKWMWNEPC-RSNNXLNZSA-N 2 1 228.355 2.494 20 0 BEADMP CC/C=C\CCC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206157457 974392235 /nfs/dbraw/zinc/39/22/35/974392235.db2.gz YTFIQBKWMWNEPC-RSNNXLNZSA-N 2 1 228.355 2.494 20 0 BEADMP CC[C@@H](C)OCC[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC001172317887 974526769 /nfs/dbraw/zinc/52/67/69/974526769.db2.gz VXMAZMDESUPGMM-QWHCGFSZSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC001172317888 974528475 /nfs/dbraw/zinc/52/84/75/974528475.db2.gz VXMAZMDESUPGMM-STQMWFEESA-N 2 1 242.407 2.264 20 0 BEADMP CCCCCC[C@@H](CCC)[N@H+](CC[NH3+])CCO ZINC001172379970 974586290 /nfs/dbraw/zinc/58/62/90/974586290.db2.gz YBRATPGWIACFAI-CQSZACIVSA-N 2 1 244.423 2.379 20 0 BEADMP CCCCCC[C@@H](CCC)[N@@H+](CC[NH3+])CCO ZINC001172379970 974586300 /nfs/dbraw/zinc/58/63/00/974586300.db2.gz YBRATPGWIACFAI-CQSZACIVSA-N 2 1 244.423 2.379 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@@H+](C)CCC[NH+](C)C ZINC001172334376 974601008 /nfs/dbraw/zinc/60/10/08/974601008.db2.gz BPBPMQHVHDIOQW-KBPBESRZSA-N 2 1 244.423 2.464 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccccc3)[C@H]2C1 ZINC001204089097 974864753 /nfs/dbraw/zinc/86/47/53/974864753.db2.gz KSBIZZKVSZCIAG-SOUVJXGZSA-N 2 1 230.355 2.116 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172546181 974879153 /nfs/dbraw/zinc/87/91/53/974879153.db2.gz KHYPTHNTQAKELJ-RBSFLKMASA-N 2 1 230.355 2.356 20 0 BEADMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172546181 974879154 /nfs/dbraw/zinc/87/91/54/974879154.db2.gz KHYPTHNTQAKELJ-RBSFLKMASA-N 2 1 230.355 2.356 20 0 BEADMP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]cc3C3CC3)C[C@@H]21 ZINC001332320683 975055175 /nfs/dbraw/zinc/05/51/75/975055175.db2.gz XLHHKYLKWAQWJX-DOMZBBRYSA-N 2 1 243.354 2.099 20 0 BEADMP CC[C@H]1CC[C@@H]([N@@H+](C)CCC[NH+](C)C)C1 ZINC001173275531 975086868 /nfs/dbraw/zinc/08/68/68/975086868.db2.gz VUDICFJFSNUHIK-QWHCGFSZSA-N 2 1 212.381 2.449 20 0 BEADMP CC[N@@H+]1CC[C@H](NC(=[NH2+])c2cccc(C)c2)C1 ZINC001173355884 975310078 /nfs/dbraw/zinc/31/00/78/975310078.db2.gz ZEZFYRJLQHITQR-ZDUSSCGKSA-N 2 1 231.343 2.004 20 0 BEADMP CC[N@H+]1CC[C@H](NC(=[NH2+])c2cccc(C)c2)C1 ZINC001173355884 975310080 /nfs/dbraw/zinc/31/00/80/975310080.db2.gz ZEZFYRJLQHITQR-ZDUSSCGKSA-N 2 1 231.343 2.004 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC001334775082 976642735 /nfs/dbraw/zinc/64/27/35/976642735.db2.gz QYOGEWTUSZJYEE-HRCADAONSA-N 2 1 244.382 2.288 20 0 BEADMP c1cc(N[C@H]2CC[N@H+](C3CCCCC3)C2)cc[nH+]1 ZINC001336398632 977661089 /nfs/dbraw/zinc/66/10/89/977661089.db2.gz DFQKPXMMELMTBW-AWEZNQCLSA-N 2 1 245.370 2.322 20 0 BEADMP C[C@H]1CC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012225 977838013 /nfs/dbraw/zinc/83/80/13/977838013.db2.gz WKMADQLFMQCYER-VIFPVBQESA-N 2 1 201.273 2.157 20 0 BEADMP C[C@@H]1COCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011412 977839700 /nfs/dbraw/zinc/83/97/00/977839700.db2.gz JXYKWSLOCMNGQH-NSHDSACASA-N 2 1 245.326 2.031 20 0 BEADMP C[N@H+](Cc1cc2c[nH+]ccc2[nH]1)CC1CC1 ZINC001232012370 977839712 /nfs/dbraw/zinc/83/97/12/977839712.db2.gz ZTXRPTWXCWWQPJ-UHFFFAOYSA-N 2 1 215.300 2.405 20 0 BEADMP Cc1cccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)n1 ZINC001206293979 978292524 /nfs/dbraw/zinc/29/25/24/978292524.db2.gz IGMXDJUFHFOGNY-HNNXBMFYSA-N 2 1 247.386 2.341 20 0 BEADMP C[C@]1(C[NH3+])CCC[N@@H+](C[C@H]2CCC=CO2)CC1 ZINC001206293270 978293184 /nfs/dbraw/zinc/29/31/84/978293184.db2.gz GYCVALYSUFTMPZ-KGLIPLIRSA-N 2 1 238.375 2.130 20 0 BEADMP Cc1cccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC001179818644 978760537 /nfs/dbraw/zinc/76/05/37/978760537.db2.gz ZFHBCDFYJIVSTM-ARFHVFGLSA-N 2 1 244.382 2.425 20 0 BEADMP c1cc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc[nH+]1 ZINC001339463824 978855748 /nfs/dbraw/zinc/85/57/48/978855748.db2.gz FLWVQARIYUYPAX-AWEZNQCLSA-N 2 1 245.370 2.037 20 0 BEADMP CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000070643030 978862093 /nfs/dbraw/zinc/86/20/93/978862093.db2.gz XSMQHIPNBGAFGC-AAEUAGOBSA-N 2 1 210.365 2.249 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)CC1 ZINC001235025476 978954679 /nfs/dbraw/zinc/95/46/79/978954679.db2.gz BZMLWXFEZDYROA-ZQDZILKHSA-N 2 1 234.387 2.273 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1C ZINC001235031825 978955035 /nfs/dbraw/zinc/95/50/35/978955035.db2.gz OYMSOBHNWXVORR-JKSUJKDBSA-N 2 1 244.382 2.406 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1C ZINC001235031825 978955039 /nfs/dbraw/zinc/95/50/39/978955039.db2.gz OYMSOBHNWXVORR-JKSUJKDBSA-N 2 1 244.382 2.406 20 0 BEADMP CC1=C[C@@H](C)[C@H](C[N@H+]2CCC3(C[NH2+]C3)C2)CC1 ZINC001235023999 978955109 /nfs/dbraw/zinc/95/51/09/978955109.db2.gz JGHYLWARNPBBDX-KGLIPLIRSA-N 2 1 234.387 2.274 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CC[C@@]3(CC[NH2+]3)C2)CC1 ZINC001235062689 978967998 /nfs/dbraw/zinc/96/79/98/978967998.db2.gz BTCKIVOANMOZEJ-ZNMIVQPWSA-N 2 1 234.387 2.417 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001235144957 978981114 /nfs/dbraw/zinc/98/11/14/978981114.db2.gz AHCRIRIUADXJGE-CRWXNKLISA-N 2 1 220.360 2.012 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001235144957 978981118 /nfs/dbraw/zinc/98/11/18/978981118.db2.gz AHCRIRIUADXJGE-CRWXNKLISA-N 2 1 220.360 2.012 20 0 BEADMP CCCC[C@H](CC)C[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001235146201 978981253 /nfs/dbraw/zinc/98/12/53/978981253.db2.gz JEJKGXAEAOLOFV-AVGNSLFASA-N 2 1 210.365 2.236 20 0 BEADMP CCCC[C@H](CC)C[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001235146201 978981257 /nfs/dbraw/zinc/98/12/57/978981257.db2.gz JEJKGXAEAOLOFV-AVGNSLFASA-N 2 1 210.365 2.236 20 0 BEADMP CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001235210540 978999059 /nfs/dbraw/zinc/99/90/59/978999059.db2.gz LUBSBRGFOTUZPH-NDBYEHHHSA-N 2 1 210.365 2.092 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]32)CC1 ZINC001235256774 979012117 /nfs/dbraw/zinc/01/21/17/979012117.db2.gz GQMUBVNKTKODFG-XQLPTFJDSA-N 2 1 234.387 2.273 20 0 BEADMP CCCCc1ccc(C[N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)cc1 ZINC001235285948 979019667 /nfs/dbraw/zinc/01/96/67/979019667.db2.gz WSNZVCRKRVCWLQ-MUJYYYPQSA-N 2 1 244.382 2.418 20 0 BEADMP CC(C)[N@@H+](CC[C@H]1COC(C)(C)N1)CC1CC1 ZINC001235695706 979123904 /nfs/dbraw/zinc/12/39/04/979123904.db2.gz ZXKGGBAHMPJJNK-ZDUSSCGKSA-N 2 1 240.391 2.221 20 0 BEADMP CC(C)[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)CC1CC1 ZINC001235695706 979123910 /nfs/dbraw/zinc/12/39/10/979123910.db2.gz ZXKGGBAHMPJJNK-ZDUSSCGKSA-N 2 1 240.391 2.221 20 0 BEADMP CC(C)[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)CC1CC1 ZINC001235695706 979123919 /nfs/dbraw/zinc/12/39/19/979123919.db2.gz ZXKGGBAHMPJJNK-ZDUSSCGKSA-N 2 1 240.391 2.221 20 0 BEADMP Cc1cccc(CC[N@H+]2CCCC3(C[NH2+]C3)C2)c1 ZINC001235711216 979127547 /nfs/dbraw/zinc/12/75/47/979127547.db2.gz MSAORRDIRLFHTB-UHFFFAOYSA-N 2 1 244.382 2.223 20 0 BEADMP CCC[C@H](C)C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235710846 979130066 /nfs/dbraw/zinc/13/00/66/979130066.db2.gz HVEMWOQZNXPAGB-LBPRGKRZSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H]1C[C@@H](C)CC[N@@H+]1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235820725 979157958 /nfs/dbraw/zinc/15/79/58/979157958.db2.gz UCCOJWSIDUCFCK-XQQFMLRXSA-N 2 1 240.391 2.221 20 0 BEADMP C[C@@H]1C[C@@H](C)CC[N@H+]1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235820725 979157963 /nfs/dbraw/zinc/15/79/63/979157963.db2.gz UCCOJWSIDUCFCK-XQQFMLRXSA-N 2 1 240.391 2.221 20 0 BEADMP C[NH2+]CCC[N@@H+](C)CCc1cccc(Cl)c1 ZINC001235839712 979169778 /nfs/dbraw/zinc/16/97/78/979169778.db2.gz VNEIDFJJDFUMKU-UHFFFAOYSA-N 2 1 240.778 2.424 20 0 BEADMP [NH3+][C@H](Cc1ccccc1)CN1C[C@H]2CC[C@@H]1C2 ZINC001235935874 979215011 /nfs/dbraw/zinc/21/50/11/979215011.db2.gz YAOKFVUJOYGNLI-RRFJBIMHSA-N 2 1 230.355 2.041 20 0 BEADMP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001235935874 979215018 /nfs/dbraw/zinc/21/50/18/979215018.db2.gz YAOKFVUJOYGNLI-RRFJBIMHSA-N 2 1 230.355 2.041 20 0 BEADMP [NH3+][C@H](Cc1ccccc1)C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001235935874 979215026 /nfs/dbraw/zinc/21/50/26/979215026.db2.gz YAOKFVUJOYGNLI-RRFJBIMHSA-N 2 1 230.355 2.041 20 0 BEADMP C[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)C[C@H]1CC1(C)C ZINC001235958093 979227197 /nfs/dbraw/zinc/22/71/97/979227197.db2.gz GCLIEBOEIASZKK-NEPJUHHUSA-N 2 1 240.391 2.079 20 0 BEADMP C[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)C[C@H]1CC1(C)C ZINC001235958093 979227207 /nfs/dbraw/zinc/22/72/07/979227207.db2.gz GCLIEBOEIASZKK-NEPJUHHUSA-N 2 1 240.391 2.079 20 0 BEADMP C[N@H+](C/C=C/c1ccccc1)CCCC[NH3+] ZINC001235963160 979233141 /nfs/dbraw/zinc/23/31/41/979233141.db2.gz RJFFDLUSZYXVOR-JXMROGBWSA-N 2 1 218.344 2.371 20 0 BEADMP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1cccc3[nH]ccc31)C2 ZINC001235977177 979238356 /nfs/dbraw/zinc/23/83/56/979238356.db2.gz FSURVYJUBPTFLH-DOMZBBRYSA-N 2 1 241.338 2.091 20 0 BEADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1cccc3[nH]ccc31)C2 ZINC001235977177 979238368 /nfs/dbraw/zinc/23/83/68/979238368.db2.gz FSURVYJUBPTFLH-DOMZBBRYSA-N 2 1 241.338 2.091 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235980376 979249764 /nfs/dbraw/zinc/24/97/64/979249764.db2.gz MPUQEIOXTLYYEV-LSDHHAIUSA-N 2 1 230.355 2.227 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235980376 979249775 /nfs/dbraw/zinc/24/97/75/979249775.db2.gz MPUQEIOXTLYYEV-LSDHHAIUSA-N 2 1 230.355 2.227 20 0 BEADMP [NH3+][C@]12CC[C@H]1C[N@H+](CCCc1cccc(F)c1)C2 ZINC001235981820 979256487 /nfs/dbraw/zinc/25/64/87/979256487.db2.gz XRJVBDNFQWBTCG-ZFWWWQNUSA-N 2 1 248.345 2.181 20 0 BEADMP [NH3+][C@]12CC[C@H]1C[N@@H+](CCCc1cccc(F)c1)C2 ZINC001235981820 979256508 /nfs/dbraw/zinc/25/65/08/979256508.db2.gz XRJVBDNFQWBTCG-ZFWWWQNUSA-N 2 1 248.345 2.181 20 0 BEADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](CCCc1cccc(F)c1)C2 ZINC001235981819 979260529 /nfs/dbraw/zinc/26/05/29/979260529.db2.gz XRJVBDNFQWBTCG-UKRRQHHQSA-N 2 1 248.345 2.181 20 0 BEADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](CCCc1cccc(F)c1)C2 ZINC001235981819 979260541 /nfs/dbraw/zinc/26/05/41/979260541.db2.gz XRJVBDNFQWBTCG-UKRRQHHQSA-N 2 1 248.345 2.181 20 0 BEADMP Cc1cccc(CC[N@@H+]2C[C@H](C)C[C@@H]([NH3+])C2)c1 ZINC001236044585 979336729 /nfs/dbraw/zinc/33/67/29/979336729.db2.gz OLRMKALKCOACIG-UKRRQHHQSA-N 2 1 232.371 2.207 20 0 BEADMP Cc1cccc(CC[N@H+]2C[C@H](C)C[C@@H]([NH3+])C2)c1 ZINC001236044585 979336739 /nfs/dbraw/zinc/33/67/39/979336739.db2.gz OLRMKALKCOACIG-UKRRQHHQSA-N 2 1 232.371 2.207 20 0 BEADMP Cc1cccc(CC[N@@H+]2C[C@@H](C)C[C@H]([NH3+])C2)c1 ZINC001236044586 979339172 /nfs/dbraw/zinc/33/91/72/979339172.db2.gz OLRMKALKCOACIG-ZFWWWQNUSA-N 2 1 232.371 2.207 20 0 BEADMP Cc1cccc(CC[N@H+]2C[C@@H](C)C[C@H]([NH3+])C2)c1 ZINC001236044586 979339181 /nfs/dbraw/zinc/33/91/81/979339181.db2.gz OLRMKALKCOACIG-ZFWWWQNUSA-N 2 1 232.371 2.207 20 0 BEADMP CC/C=C\CCC[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236059820 979348511 /nfs/dbraw/zinc/34/85/11/979348511.db2.gz MIWOCRVNQWAYNY-NMEQGOOXSA-N 2 1 222.376 2.417 20 0 BEADMP CC/C=C\CCC[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236059820 979348523 /nfs/dbraw/zinc/34/85/23/979348523.db2.gz MIWOCRVNQWAYNY-NMEQGOOXSA-N 2 1 222.376 2.417 20 0 BEADMP C[C@H]1C[N@H+](Cc2cccc3c2CCC3)CCC[NH2+]1 ZINC001236101864 979387289 /nfs/dbraw/zinc/38/72/89/979387289.db2.gz ZZUHEZATNCCBTH-ZDUSSCGKSA-N 2 1 244.382 2.359 20 0 BEADMP CC(C)[C@H]1CCC[N@H+]1CC[C@H]1COC(C)(C)N1 ZINC001236109745 979391913 /nfs/dbraw/zinc/39/19/13/979391913.db2.gz WCAODBFQZBQFDL-QWHCGFSZSA-N 2 1 240.391 2.221 20 0 BEADMP CC(C)[C@H]1CCC[N@@H+]1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001236109745 979391915 /nfs/dbraw/zinc/39/19/15/979391915.db2.gz WCAODBFQZBQFDL-QWHCGFSZSA-N 2 1 240.391 2.221 20 0 BEADMP CC(C)[C@H]1CCC[N@H+]1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001236109745 979391920 /nfs/dbraw/zinc/39/19/20/979391920.db2.gz WCAODBFQZBQFDL-QWHCGFSZSA-N 2 1 240.391 2.221 20 0 BEADMP [NH3+]CCCC[N@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001236108636 979392958 /nfs/dbraw/zinc/39/29/58/979392958.db2.gz LRUONPUERBTLFE-BETUJISGSA-N 2 1 230.355 2.312 20 0 BEADMP CC(C)[C@@H]1CCC[N@H+]1CC[C@H]1COC(C)(C)N1 ZINC001236109747 979394880 /nfs/dbraw/zinc/39/48/80/979394880.db2.gz WCAODBFQZBQFDL-STQMWFEESA-N 2 1 240.391 2.221 20 0 BEADMP CC(C)[C@@H]1CCC[N@@H+]1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001236109747 979394897 /nfs/dbraw/zinc/39/48/97/979394897.db2.gz WCAODBFQZBQFDL-STQMWFEESA-N 2 1 240.391 2.221 20 0 BEADMP CC(C)[C@@H]1CCC[N@H+]1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001236109747 979394910 /nfs/dbraw/zinc/39/49/10/979394910.db2.gz WCAODBFQZBQFDL-STQMWFEESA-N 2 1 240.391 2.221 20 0 BEADMP C[C@H]1C[N@H+](C[C@H]([NH3+])Cc2ccccc2)C2(CC2)C1 ZINC001236153674 979414677 /nfs/dbraw/zinc/41/46/77/979414677.db2.gz LMJZFYRQUQMZSD-UKRRQHHQSA-N 2 1 244.382 2.431 20 0 BEADMP C[C@H]1C[N@@H+](C[C@H]([NH3+])Cc2ccccc2)C2(CC2)C1 ZINC001236153674 979414682 /nfs/dbraw/zinc/41/46/82/979414682.db2.gz LMJZFYRQUQMZSD-UKRRQHHQSA-N 2 1 244.382 2.431 20 0 BEADMP Cc1ccc2c(C[N@@H+]3CCC[C@@H]3C[NH3+])c[nH]c2c1 ZINC001236242978 979462351 /nfs/dbraw/zinc/46/23/51/979462351.db2.gz QZPAJVCBNWGBOJ-CYBMUJFWSA-N 2 1 243.354 2.399 20 0 BEADMP Cc1ccc2c(C[N@H+]3CCC[C@@H]3C[NH3+])c[nH]c2c1 ZINC001236242978 979462356 /nfs/dbraw/zinc/46/23/56/979462356.db2.gz QZPAJVCBNWGBOJ-CYBMUJFWSA-N 2 1 243.354 2.399 20 0 BEADMP C(C1CCCC1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315035 979524996 /nfs/dbraw/zinc/52/49/96/979524996.db2.gz UZWPGHVDSZAFQM-OKILXGFUSA-N 2 1 222.376 2.108 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001236411236 979588033 /nfs/dbraw/zinc/58/80/33/979588033.db2.gz NAWMFYRYEWIQCV-XPABHHOTSA-N 2 1 234.387 2.128 20 0 BEADMP COC(C)(C)CC[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205254831 979729060 /nfs/dbraw/zinc/72/90/60/979729060.db2.gz CATLEJWHRILMCB-ZDUSSCGKSA-N 2 1 228.380 2.005 20 0 BEADMP CS[C@@H](C)CC[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205254698 979729231 /nfs/dbraw/zinc/72/92/31/979729231.db2.gz ACGQGHGTXOAZFP-NWDGAFQWSA-N 2 1 230.421 2.331 20 0 BEADMP COc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205265172 979821879 /nfs/dbraw/zinc/82/18/79/979821879.db2.gz OAGLBVPCJSDTEP-OAHLLOKOSA-N 2 1 248.370 2.399 20 0 BEADMP [NH3+]CCCC[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC001237191643 979839959 /nfs/dbraw/zinc/83/99/59/979839959.db2.gz PNFZCJFRQSYMSL-UHFFFAOYSA-N 2 1 240.297 2.062 20 0 BEADMP CNc1ccccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205280681 979875335 /nfs/dbraw/zinc/87/53/35/979875335.db2.gz FUNIIQSFSPIKRP-HNNXBMFYSA-N 2 1 247.386 2.432 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)oc1C ZINC001237384943 979882937 /nfs/dbraw/zinc/88/29/37/979882937.db2.gz ZBTGQUGAACOKOG-HIFRSBDPSA-N 2 1 248.370 2.470 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)oc1C ZINC001237384943 979882941 /nfs/dbraw/zinc/88/29/41/979882941.db2.gz ZBTGQUGAACOKOG-HIFRSBDPSA-N 2 1 248.370 2.470 20 0 BEADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001184386309 980058858 /nfs/dbraw/zinc/05/88/58/980058858.db2.gz BRKGZNJAWKPDFQ-ODXJTPSBSA-N 2 1 224.392 2.351 20 0 BEADMP COCC[N@H+](Cc1cccc2c[nH+]cn21)C(C)C ZINC001238114736 980160029 /nfs/dbraw/zinc/16/00/29/980160029.db2.gz VRVZWIQJVMOPAV-UHFFFAOYSA-N 2 1 247.342 2.191 20 0 BEADMP COCC[N@@H+](Cc1cccc2c[nH+]cn21)C(C)C ZINC001238114736 980160033 /nfs/dbraw/zinc/16/00/33/980160033.db2.gz VRVZWIQJVMOPAV-UHFFFAOYSA-N 2 1 247.342 2.191 20 0 BEADMP c1[nH+]cn2c1cccc2C[NH+]1C2CCC1CC2 ZINC001238109948 980160858 /nfs/dbraw/zinc/16/08/58/980160858.db2.gz HQVZSLQWDCQVGN-UHFFFAOYSA-N 2 1 227.311 2.461 20 0 BEADMP F[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc2c[nH+]cn21 ZINC001238120593 980165854 /nfs/dbraw/zinc/16/58/54/980165854.db2.gz YMLOHUULCDPJIR-BPNCWPANSA-N 2 1 245.301 2.267 20 0 BEADMP F[C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc2c[nH+]cn21 ZINC001238120593 980165859 /nfs/dbraw/zinc/16/58/59/980165859.db2.gz YMLOHUULCDPJIR-BPNCWPANSA-N 2 1 245.301 2.267 20 0 BEADMP Cc1ccc(C[N@H+]2CC[NH2+]CC[C@@H]2C)c(C)c1 ZINC001205325957 980195704 /nfs/dbraw/zinc/19/57/04/980195704.db2.gz SINPSFUUTVPWCI-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[NH2+]CC[C@@H]2C)c(C)c1 ZINC001205325957 980195710 /nfs/dbraw/zinc/19/57/10/980195710.db2.gz SINPSFUUTVPWCI-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP C([C@H]1CC2CCC1CC2)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000691658352 980382281 /nfs/dbraw/zinc/38/22/81/980382281.db2.gz BZTYKHRDJBCZQD-KDQUWOQTSA-N 2 1 248.414 2.497 20 0 BEADMP C([C@H]1CC2CCC1CC2)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000691658352 980382284 /nfs/dbraw/zinc/38/22/84/980382284.db2.gz BZTYKHRDJBCZQD-KDQUWOQTSA-N 2 1 248.414 2.497 20 0 BEADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccco3)C2)CC1 ZINC001203285399 980806445 /nfs/dbraw/zinc/80/64/45/980806445.db2.gz JTVHYFZOVNJAFS-UHFFFAOYSA-N 2 1 234.343 2.197 20 0 BEADMP C[NH+](C)Cc1ccccc1-c1cc(N)cc[nH+]1 ZINC001239680563 980840370 /nfs/dbraw/zinc/84/03/70/980840370.db2.gz WJGMPRIPYNQKSU-UHFFFAOYSA-N 2 1 227.311 2.392 20 0 BEADMP [NH3+]Cc1cncc(-c2[nH+]ccc3[nH]ccc32)c1 ZINC001239784215 980913975 /nfs/dbraw/zinc/91/39/75/980913975.db2.gz JVGVRIRLPGJLKO-UHFFFAOYSA-N 2 1 224.267 2.084 20 0 BEADMP CCOC(C)(C)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205604854 981180976 /nfs/dbraw/zinc/18/09/76/981180976.db2.gz YFIVJSRBGHOIRV-CHWSQXEVSA-N 2 1 242.407 2.108 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+]Cc1cnc(C2CC2)s1 ZINC001348514720 981380074 /nfs/dbraw/zinc/38/00/74/981380074.db2.gz FYOGDSRILNQUDR-SECBINFHSA-N 2 1 239.388 2.108 20 0 BEADMP Cc1cc(C2=CC[NH2+]CC2)cn2cc[nH+]c12 ZINC001240467175 981401633 /nfs/dbraw/zinc/40/16/33/981401633.db2.gz ZDWUQOOLXYGWDT-UHFFFAOYSA-N 2 1 213.284 2.019 20 0 BEADMP CC[N@H+]1CCc2cc(C3=CC[NH2+]CC3)ccc2C1 ZINC001240468295 981402861 /nfs/dbraw/zinc/40/28/61/981402861.db2.gz PKMURBCYVWKRDW-UHFFFAOYSA-N 2 1 242.366 2.441 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2cccc(N)c2)CC[C@H]1C[NH3+] ZINC001205638818 981412716 /nfs/dbraw/zinc/41/27/16/981412716.db2.gz SERXEMVDSLTTJC-OCCSQVGLSA-N 2 1 247.386 2.076 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccccc1F ZINC001348851715 981461433 /nfs/dbraw/zinc/46/14/33/981461433.db2.gz GEPURRBEPWPYON-QWRGUYRKSA-N 2 1 224.323 2.474 20 0 BEADMP C[N@H+]1CCc2c(F)cc(C3=CCC[NH2+]C3)cc2C1 ZINC001240679849 981584963 /nfs/dbraw/zinc/58/49/63/981584963.db2.gz KLNUZPBDUYQZPR-UHFFFAOYSA-N 2 1 246.329 2.190 20 0 BEADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@@H]3C=CCCCCC3)C[C@H]21 ZINC001196630815 982476797 /nfs/dbraw/zinc/47/67/97/982476797.db2.gz AHVVFJQJFIKLKA-KBXIAJHMSA-N 2 1 234.387 2.367 20 0 BEADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@@H]3C=CCCCCC3)C[C@H]21 ZINC001196630815 982476805 /nfs/dbraw/zinc/47/68/05/982476805.db2.gz AHVVFJQJFIKLKA-KBXIAJHMSA-N 2 1 234.387 2.367 20 0 BEADMP COC(=[NH2+])c1cccc(C2=CC[N@H+](C)CC2)c1 ZINC001241329856 982491239 /nfs/dbraw/zinc/49/12/39/982491239.db2.gz BLBFFGCBSMFBDB-UHFFFAOYSA-N 2 1 230.311 2.377 20 0 BEADMP COC(=[NH2+])c1cccc(C2=CC[N@@H+](C)CC2)c1 ZINC001241329856 982491244 /nfs/dbraw/zinc/49/12/44/982491244.db2.gz BLBFFGCBSMFBDB-UHFFFAOYSA-N 2 1 230.311 2.377 20 0 BEADMP C[N@@H+]1CC=C(c2cccc(C[NH3+])c2F)CC1 ZINC001241329920 982492873 /nfs/dbraw/zinc/49/28/73/982492873.db2.gz FRHJOSKFCUSTEW-UHFFFAOYSA-N 2 1 220.291 2.003 20 0 BEADMP Cc1cccc(CC[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC001205863233 982916781 /nfs/dbraw/zinc/91/67/81/982916781.db2.gz LVOGEDLRNAHLLZ-HIFRSBDPSA-N 2 1 232.371 2.207 20 0 BEADMP Cc1cccc(CC[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC001205863233 982916803 /nfs/dbraw/zinc/91/68/03/982916803.db2.gz LVOGEDLRNAHLLZ-HIFRSBDPSA-N 2 1 232.371 2.207 20 0 BEADMP CC[C@@H](C)C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001201502794 983274149 /nfs/dbraw/zinc/27/41/49/983274149.db2.gz KYPQDQKKXUJRGW-CYBMUJFWSA-N 2 1 236.403 2.450 20 0 BEADMP CC[C@@H](C)C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001201502794 983274150 /nfs/dbraw/zinc/27/41/50/983274150.db2.gz KYPQDQKKXUJRGW-CYBMUJFWSA-N 2 1 236.403 2.450 20 0 BEADMP CC(C)CC[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001201617075 983378051 /nfs/dbraw/zinc/37/80/51/983378051.db2.gz GUXKHJXFIJGWLG-UHFFFAOYSA-N 2 1 236.403 2.450 20 0 BEADMP CC(C)CC[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001201617075 983378056 /nfs/dbraw/zinc/37/80/56/983378056.db2.gz GUXKHJXFIJGWLG-UHFFFAOYSA-N 2 1 236.403 2.450 20 0 BEADMP CC[N@@H+](C)C1CCN(CCCSC)CC1 ZINC001201697584 983410335 /nfs/dbraw/zinc/41/03/35/983410335.db2.gz IKJFDHZOTKLGKJ-UHFFFAOYSA-N 2 1 230.421 2.156 20 0 BEADMP CC[N@H+](C)C1CC[NH+](CCCSC)CC1 ZINC001201697584 983410340 /nfs/dbraw/zinc/41/03/40/983410340.db2.gz IKJFDHZOTKLGKJ-UHFFFAOYSA-N 2 1 230.421 2.156 20 0 BEADMP CC[N@@H+](C)C1CC[NH+](CCCSC)CC1 ZINC001201697584 983410344 /nfs/dbraw/zinc/41/03/44/983410344.db2.gz IKJFDHZOTKLGKJ-UHFFFAOYSA-N 2 1 230.421 2.156 20 0 BEADMP CSCCCN1CCC([N@@H+](C)C2CC2)CC1 ZINC001201697086 983410439 /nfs/dbraw/zinc/41/04/39/983410439.db2.gz ZLGPPCYJBPECBC-UHFFFAOYSA-N 2 1 242.432 2.298 20 0 BEADMP CSCCC[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001201697086 983410443 /nfs/dbraw/zinc/41/04/43/983410443.db2.gz ZLGPPCYJBPECBC-UHFFFAOYSA-N 2 1 242.432 2.298 20 0 BEADMP CC(C)[N@@H+](CC1CC1)C1CCN(C)CC1 ZINC001201952359 983523957 /nfs/dbraw/zinc/52/39/57/983523957.db2.gz NMKGKRFJUWQNCD-UHFFFAOYSA-N 2 1 210.365 2.201 20 0 BEADMP CC[N@@H+](CCn1ccnc1)CC1CCCC1 ZINC001202190051 983596174 /nfs/dbraw/zinc/59/61/74/983596174.db2.gz KAWUUESLLHFBLW-UHFFFAOYSA-N 2 1 221.348 2.395 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCC[C@@H]1C[NH3+] ZINC001205985211 984302120 /nfs/dbraw/zinc/30/21/20/984302120.db2.gz WODXCDNADFUUSF-DZGCQCFKSA-N 2 1 232.371 2.493 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@H]1C[C@@H]1c1cccc(F)c1)C1CC1 ZINC001580228457 984432776 /nfs/dbraw/zinc/43/27/76/984432776.db2.gz BPKLEZBUKFHRDB-RDBSUJKOSA-N 2 1 234.318 2.009 20 0 BEADMP CC[C@H](C)C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001275061848 984457501 /nfs/dbraw/zinc/45/75/01/984457501.db2.gz LOWOAOVWBLWACI-ZDUSSCGKSA-N 2 1 224.392 2.450 20 0 BEADMP CCC(CC)C[NH+]1CC2(C1)CC[N@H+](C)C2 ZINC001275069075 984467752 /nfs/dbraw/zinc/46/77/52/984467752.db2.gz DTDYVTQIBTXNON-UHFFFAOYSA-N 2 1 210.365 2.060 20 0 BEADMP CCC(CC)C[NH+]1CC2(C1)CC[N@@H+](C)C2 ZINC001275069075 984467756 /nfs/dbraw/zinc/46/77/56/984467756.db2.gz DTDYVTQIBTXNON-UHFFFAOYSA-N 2 1 210.365 2.060 20 0 BEADMP CCC[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001275103961 984487986 /nfs/dbraw/zinc/48/79/86/984487986.db2.gz VXZMYYDVBYMVJY-ZDUSSCGKSA-N 2 1 210.365 2.204 20 0 BEADMP CCC[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001275103961 984487991 /nfs/dbraw/zinc/48/79/91/984487991.db2.gz VXZMYYDVBYMVJY-ZDUSSCGKSA-N 2 1 210.365 2.204 20 0 BEADMP CCC[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001275103961 984487996 /nfs/dbraw/zinc/48/79/96/984487996.db2.gz VXZMYYDVBYMVJY-ZDUSSCGKSA-N 2 1 210.365 2.204 20 0 BEADMP CCCC[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001275114607 984493064 /nfs/dbraw/zinc/49/30/64/984493064.db2.gz BADNJDQLEFVGNN-BETUJISGSA-N 2 1 210.365 2.060 20 0 BEADMP CCCC[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001275114607 984493083 /nfs/dbraw/zinc/49/30/83/984493083.db2.gz BADNJDQLEFVGNN-BETUJISGSA-N 2 1 210.365 2.060 20 0 BEADMP CCCC[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001275114607 984493095 /nfs/dbraw/zinc/49/30/95/984493095.db2.gz BADNJDQLEFVGNN-BETUJISGSA-N 2 1 210.365 2.060 20 0 BEADMP CSCCC[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001275109441 984493474 /nfs/dbraw/zinc/49/34/74/984493474.db2.gz FGXNIMMVVYIPJE-BETUJISGSA-N 2 1 242.432 2.013 20 0 BEADMP CSCCC[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001275109441 984493478 /nfs/dbraw/zinc/49/34/78/984493478.db2.gz FGXNIMMVVYIPJE-BETUJISGSA-N 2 1 242.432 2.013 20 0 BEADMP CSCCC[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001275109441 984493484 /nfs/dbraw/zinc/49/34/84/984493484.db2.gz FGXNIMMVVYIPJE-BETUJISGSA-N 2 1 242.432 2.013 20 0 BEADMP c1ccc([C@@H]2C[C@H]2C[NH2+][C@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC001580891710 984622921 /nfs/dbraw/zinc/62/29/21/984622921.db2.gz FFTUGPSODQRQTR-QRJUGERDSA-N 2 1 242.366 2.273 20 0 BEADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccoc3)C[C@H]2CC1 ZINC001275943457 984736315 /nfs/dbraw/zinc/73/63/15/984736315.db2.gz IBBWFESMSNTXPJ-OKILXGFUSA-N 2 1 234.343 2.053 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]2CC1 ZINC001275943457 984736389 /nfs/dbraw/zinc/73/63/89/984736389.db2.gz IBBWFESMSNTXPJ-OKILXGFUSA-N 2 1 234.343 2.053 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccoc3)C[C@H]2CC1 ZINC001275943457 984736455 /nfs/dbraw/zinc/73/64/55/984736455.db2.gz IBBWFESMSNTXPJ-OKILXGFUSA-N 2 1 234.343 2.053 20 0 BEADMP Cc1ccc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)[nH]1 ZINC001276072189 984810602 /nfs/dbraw/zinc/81/06/02/984810602.db2.gz PKGMVXIXITZLCC-UHFFFAOYSA-N 2 1 247.386 2.241 20 0 BEADMP CN(C)CCC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925500804 984827045 /nfs/dbraw/zinc/82/70/45/984827045.db2.gz FSIXWSWLRCGJOU-OAHLLOKOSA-N 2 1 249.402 2.008 20 0 BEADMP C[N@@H+](CCC[NH3+])[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001578466473 985100168 /nfs/dbraw/zinc/10/01/68/985100168.db2.gz OERWNFQHXZDKSS-NWDGAFQWSA-N 2 1 212.381 2.482 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC001578638305 985246079 /nfs/dbraw/zinc/24/60/79/985246079.db2.gz KAMSNRNWQRNWTD-NOOOWODRSA-N 2 1 238.400 2.438 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001578662710 985270384 /nfs/dbraw/zinc/27/03/84/985270384.db2.gz QEJDJMOSYICIPL-ZDUSSCGKSA-N 2 1 222.376 2.251 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]1CC1CC2(CCC2)C1 ZINC001578662710 985270397 /nfs/dbraw/zinc/27/03/97/985270397.db2.gz QEJDJMOSYICIPL-ZDUSSCGKSA-N 2 1 222.376 2.251 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CCc2ccccc2C1 ZINC001578687338 985298038 /nfs/dbraw/zinc/29/80/38/985298038.db2.gz JLNAXIPBKQELBK-AWEZNQCLSA-N 2 1 246.398 2.333 20 0 BEADMP c1c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)sc2c1C[NH2+]CC2 ZINC000687979617 985444500 /nfs/dbraw/zinc/44/45/00/985444500.db2.gz APGPHGWQSPUETJ-ZYHUDNBSSA-N 2 1 248.395 2.236 20 0 BEADMP CSCC[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001258199964 985608411 /nfs/dbraw/zinc/60/84/11/985608411.db2.gz LXXROOYSMKWHQP-QWHCGFSZSA-N 2 1 244.448 2.450 20 0 BEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001459792990 985624422 /nfs/dbraw/zinc/62/44/22/985624422.db2.gz PJZMSNNYRILTNW-NWDGAFQWSA-N 2 1 246.345 2.305 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001459792990 985624428 /nfs/dbraw/zinc/62/44/28/985624428.db2.gz PJZMSNNYRILTNW-NWDGAFQWSA-N 2 1 246.345 2.305 20 0 BEADMP CSCC[C@@H](C)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001258229114 985682262 /nfs/dbraw/zinc/68/22/62/985682262.db2.gz NANQIWODFLYHDS-GFCCVEGCSA-N 2 1 242.432 2.298 20 0 BEADMP CC[C@@H](CC(F)F)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000688725590 985716292 /nfs/dbraw/zinc/71/62/92/985716292.db2.gz IQKBEMHRDDXRCG-WDEREUQCSA-N 2 1 234.334 2.339 20 0 BEADMP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000688760801 985719379 /nfs/dbraw/zinc/71/93/79/985719379.db2.gz LUMZCBBJCPFYJO-QWRGUYRKSA-N 2 1 234.334 2.339 20 0 BEADMP CSC1(C[NH2+]C[C@@H]2CCC(C)(C)CN2)CC1 ZINC001579364869 985859758 /nfs/dbraw/zinc/85/97/58/985859758.db2.gz DINQEKWEUPELCU-NSHDSACASA-N 2 1 242.432 2.250 20 0 BEADMP CSC1(C[NH2+]C[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC001579364869 985859769 /nfs/dbraw/zinc/85/97/69/985859769.db2.gz DINQEKWEUPELCU-NSHDSACASA-N 2 1 242.432 2.250 20 0 BEADMP CSc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC001579388070 985869336 /nfs/dbraw/zinc/86/93/36/985869336.db2.gz NLIRXHUHNDWADL-VHSXEESVSA-N 2 1 240.372 2.171 20 0 BEADMP CSc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC001579388070 985869338 /nfs/dbraw/zinc/86/93/38/985869338.db2.gz NLIRXHUHNDWADL-VHSXEESVSA-N 2 1 240.372 2.171 20 0 BEADMP CCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001460865745 985925690 /nfs/dbraw/zinc/92/56/90/985925690.db2.gz ZZIPEUKCEHVCKV-UPJWGTAASA-N 2 1 210.365 2.059 20 0 BEADMP CCC[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001460865745 985925707 /nfs/dbraw/zinc/92/57/07/985925707.db2.gz ZZIPEUKCEHVCKV-UPJWGTAASA-N 2 1 210.365 2.059 20 0 BEADMP CCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001460865745 985925721 /nfs/dbraw/zinc/92/57/21/985925721.db2.gz ZZIPEUKCEHVCKV-UPJWGTAASA-N 2 1 210.365 2.059 20 0 BEADMP CCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001460865745 985925738 /nfs/dbraw/zinc/92/57/38/985925738.db2.gz ZZIPEUKCEHVCKV-UPJWGTAASA-N 2 1 210.365 2.059 20 0 BEADMP C[C@H]([NH3+])CC[NH2+]Cc1cncc(Cl)c1Cl ZINC001579480064 986003201 /nfs/dbraw/zinc/00/32/01/986003201.db2.gz LMVICRNPHJPMIM-ZETCQYMHSA-N 2 1 248.157 2.215 20 0 BEADMP C[C@]1(C[NH2+][C@H]2CC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC001579509441 986053004 /nfs/dbraw/zinc/05/30/04/986053004.db2.gz OTFYMFDQGKDVFQ-RRFJBIMHSA-N 2 1 230.355 2.132 20 0 BEADMP c1cc(C[NH2+]Cc2ccc3c[nH+]cn3c2)sn1 ZINC001461567762 986088189 /nfs/dbraw/zinc/08/81/89/986088189.db2.gz XTQHJEZUQACDCR-UHFFFAOYSA-N 2 1 244.323 2.081 20 0 BEADMP Cc1cc(C)cc(CC[NH2+][C@H]2C[NH2+]CC23CC3)c1 ZINC001579580364 986093979 /nfs/dbraw/zinc/09/39/79/986093979.db2.gz WKFAOWQNADXGOD-HNNXBMFYSA-N 2 1 244.382 2.188 20 0 BEADMP CCCC[C@@H](CCC)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001258752885 986116141 /nfs/dbraw/zinc/11/61/41/986116141.db2.gz NAQIJATZUGLOLU-CHWSQXEVSA-N 2 1 228.380 2.005 20 0 BEADMP Cc1ccc(CC[N@@H+]2C3CCC2(C[NH3+])CC3)cc1 ZINC001579687064 986175387 /nfs/dbraw/zinc/17/53/87/986175387.db2.gz DXZOIAQELUDNHK-UHFFFAOYSA-N 2 1 244.382 2.493 20 0 BEADMP Cc1ccc(CC[N@H+]2C3CCC2(C[NH3+])CC3)cc1 ZINC001579687064 986175415 /nfs/dbraw/zinc/17/54/15/986175415.db2.gz DXZOIAQELUDNHK-UHFFFAOYSA-N 2 1 244.382 2.493 20 0 BEADMP Cc1ccc(CC[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1C ZINC001579687746 986179625 /nfs/dbraw/zinc/17/96/25/986179625.db2.gz OAKHGOVXTYWFTO-UKRRQHHQSA-N 2 1 232.371 2.125 20 0 BEADMP Cc1ccc(CC[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1C ZINC001579687746 986179646 /nfs/dbraw/zinc/17/96/46/986179646.db2.gz OAKHGOVXTYWFTO-UKRRQHHQSA-N 2 1 232.371 2.125 20 0 BEADMP Cc1cccc2c1CC(C)(C)[N@H+](C[C@@H](C)[NH3+])C2 ZINC001579776238 986215151 /nfs/dbraw/zinc/21/51/51/986215151.db2.gz KLZSGWGWIGQFSQ-GFCCVEGCSA-N 2 1 232.371 2.479 20 0 BEADMP Cc1cccc2c1CC(C)(C)[N@@H+](C[C@@H](C)[NH3+])C2 ZINC001579776238 986215179 /nfs/dbraw/zinc/21/51/79/986215179.db2.gz KLZSGWGWIGQFSQ-GFCCVEGCSA-N 2 1 232.371 2.479 20 0 BEADMP C[C@H]1CCC[C@@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC001258825526 986289944 /nfs/dbraw/zinc/28/99/44/986289944.db2.gz DBHSJPLDWQMPCL-IGQOVBAYSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@H]1CCC[C@@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC001258825526 986289924 /nfs/dbraw/zinc/28/99/24/986289924.db2.gz DBHSJPLDWQMPCL-IGQOVBAYSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@H]1CCC[C@@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC001258825526 986289937 /nfs/dbraw/zinc/28/99/37/986289937.db2.gz DBHSJPLDWQMPCL-IGQOVBAYSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccns2)C1 ZINC001206564201 986391642 /nfs/dbraw/zinc/39/16/42/986391642.db2.gz MYAIFFZUMLMCDS-LBPRGKRZSA-N 2 1 239.388 2.094 20 0 BEADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccns2)C1 ZINC001206564201 986391643 /nfs/dbraw/zinc/39/16/43/986391643.db2.gz MYAIFFZUMLMCDS-LBPRGKRZSA-N 2 1 239.388 2.094 20 0 BEADMP C[C@@]1(C[N@H+]2CCC[C@@H](CCF)C2)CCC[NH2+]C1 ZINC000689421677 986582892 /nfs/dbraw/zinc/58/28/92/986582892.db2.gz MGZCUYDGDYBFFS-UONOGXRCSA-N 2 1 242.382 2.448 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+](CCCC(F)(F)F)CC1 ZINC000378662195 986616235 /nfs/dbraw/zinc/61/62/35/986616235.db2.gz CICVRJIECDUSOB-SECBINFHSA-N 2 1 224.270 2.142 20 0 BEADMP CC1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254517947 986651101 /nfs/dbraw/zinc/65/11/01/986651101.db2.gz ZOTSJWJCVBSSTJ-CYBMUJFWSA-N 2 1 210.365 2.203 20 0 BEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2Cc1ccc(CF)cc1 ZINC001580253153 986700096 /nfs/dbraw/zinc/70/00/96/986700096.db2.gz IFPFUPXNLWBVMS-GJZGRUSLSA-N 2 1 248.345 2.469 20 0 BEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2Cc1ccc(CF)cc1 ZINC001580253153 986700103 /nfs/dbraw/zinc/70/01/03/986700103.db2.gz IFPFUPXNLWBVMS-GJZGRUSLSA-N 2 1 248.345 2.469 20 0 BEADMP COC(C)(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000383134255 986779789 /nfs/dbraw/zinc/77/97/89/986779789.db2.gz VYPNVELKWGTELW-YHWZYXNKSA-N 2 1 240.391 2.016 20 0 BEADMP Cc1cc(C)c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)[nH]1 ZINC001137331144 986789567 /nfs/dbraw/zinc/78/95/67/986789567.db2.gz RIPMPTBXBHKTHU-OAHLLOKOSA-N 2 1 247.386 2.159 20 0 BEADMP Cc1cc(C)c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)[nH]1 ZINC001137331144 986789576 /nfs/dbraw/zinc/78/95/76/986789576.db2.gz RIPMPTBXBHKTHU-OAHLLOKOSA-N 2 1 247.386 2.159 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)[nH]1 ZINC001137331144 986789593 /nfs/dbraw/zinc/78/95/93/986789593.db2.gz RIPMPTBXBHKTHU-OAHLLOKOSA-N 2 1 247.386 2.159 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)[nH]1 ZINC001137331144 986789603 /nfs/dbraw/zinc/78/96/03/986789603.db2.gz RIPMPTBXBHKTHU-OAHLLOKOSA-N 2 1 247.386 2.159 20 0 BEADMP C[N@H+]1CC[C@H](n2c(CC[NH3+])cc3ccccc32)C1 ZINC001255424619 986944148 /nfs/dbraw/zinc/94/41/48/986944148.db2.gz ZIOUPXFRCZDFFO-AWEZNQCLSA-N 2 1 243.354 2.019 20 0 BEADMP C[NH2+]Cc1ccc2c(ccn2[C@@H]2CC[N@@H+](C)C2)c1 ZINC001255432828 986953773 /nfs/dbraw/zinc/95/37/73/986953773.db2.gz UQPCWBAKYSTSJF-CQSZACIVSA-N 2 1 243.354 2.237 20 0 BEADMP CC(C)c1[nH+]ccn1C[C@@H]1CCCC[NH2+]C1 ZINC000697002679 987342432 /nfs/dbraw/zinc/34/24/32/987342432.db2.gz ZXRKCTLEPUHQFU-GFCCVEGCSA-N 2 1 221.348 2.396 20 0 BEADMP CCCCC[C@H](O)C[N@H+](CC)[C@@H]1CCC[NH2+]C1 ZINC001246048247 987343335 /nfs/dbraw/zinc/34/33/35/987343335.db2.gz WBFQGFQQGJRHTG-KGLIPLIRSA-N 2 1 242.407 2.002 20 0 BEADMP CCCCC[C@H](O)C[N@@H+](CC)[C@@H]1CCC[NH2+]C1 ZINC001246048247 987343343 /nfs/dbraw/zinc/34/33/43/987343343.db2.gz WBFQGFQQGJRHTG-KGLIPLIRSA-N 2 1 242.407 2.002 20 0 BEADMP CC[C@@H]1CCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000697041058 987346135 /nfs/dbraw/zinc/34/61/35/987346135.db2.gz KJOOQLGPFYHEDJ-CHWSQXEVSA-N 2 1 210.365 2.251 20 0 BEADMP CC[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000697044073 987347117 /nfs/dbraw/zinc/34/71/17/987347117.db2.gz ZEMJLSWVOCGFDM-OLZOCXBDSA-N 2 1 210.365 2.108 20 0 BEADMP CC(C)CC[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000697041142 987347270 /nfs/dbraw/zinc/34/72/70/987347270.db2.gz LQTGFVOFLVZTRO-ZDUSSCGKSA-N 2 1 212.381 2.354 20 0 BEADMP CC[C@@]1(C)CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000697036853 987347712 /nfs/dbraw/zinc/34/77/12/987347712.db2.gz MSSRCJHNDAUIHS-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP CC[C@H]1CCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000697041061 987347812 /nfs/dbraw/zinc/34/78/12/987347812.db2.gz KJOOQLGPFYHEDJ-OLZOCXBDSA-N 2 1 210.365 2.251 20 0 BEADMP CC[C@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000697044075 987348699 /nfs/dbraw/zinc/34/86/99/987348699.db2.gz ZEMJLSWVOCGFDM-QWHCGFSZSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@H](CC[NH2+]Cc1ccc(F)cc1)[NH+](C)C ZINC000697902252 987365527 /nfs/dbraw/zinc/36/55/27/987365527.db2.gz DWPOPOIRWYMGMI-LLVKDONJSA-N 2 1 224.323 2.256 20 0 BEADMP CSC(C)(C)C[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246101365 987424559 /nfs/dbraw/zinc/42/45/59/987424559.db2.gz LACURFSXKYLDEO-IJLUTSLNSA-N 2 1 244.448 2.494 20 0 BEADMP CCc1ccc(C[C@H](C)[NH2+][C@H]2C[NH2+]C[C@@H]2C)cc1 ZINC001246118407 987463259 /nfs/dbraw/zinc/46/32/59/987463259.db2.gz XPFSYZCKQBNYEI-XEZPLFJOSA-N 2 1 246.398 2.378 20 0 BEADMP CSC(C)(C)C[C@@H](C)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246127350 987473250 /nfs/dbraw/zinc/47/32/50/987473250.db2.gz BPCWPKGBPRVARP-GHMZBOCLSA-N 2 1 242.432 2.248 20 0 BEADMP CC(C)CC[C@H](C)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246127897 987477671 /nfs/dbraw/zinc/47/76/71/987477671.db2.gz CMIUNLFFJBWNMI-RYUDHWBXSA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246134404 987488057 /nfs/dbraw/zinc/48/80/57/987488057.db2.gz NDHXUZIVMAITLL-CRWXNKLISA-N 2 1 224.392 2.399 20 0 BEADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246134110 987488569 /nfs/dbraw/zinc/48/85/69/987488569.db2.gz PGEVKRQMVPDVIV-RISCZKNCSA-N 2 1 248.345 2.098 20 0 BEADMP CCCC1CCC([NH2+][C@]23C[C@H]2C[NH2+]C3)CC1 ZINC001246137552 987495628 /nfs/dbraw/zinc/49/56/28/987495628.db2.gz ZKTITAJCMULEOP-YIOUJQMASA-N 2 1 222.376 2.297 20 0 BEADMP CC[C@H](C)[C@H](C)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001473732522 987535964 /nfs/dbraw/zinc/53/59/64/987535964.db2.gz SPYIJGZPECMIPW-QWRGUYRKSA-N 2 1 233.359 2.457 20 0 BEADMP CC[C@H](C)[C@H](C)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001473732522 987535975 /nfs/dbraw/zinc/53/59/75/987535975.db2.gz SPYIJGZPECMIPW-QWRGUYRKSA-N 2 1 233.359 2.457 20 0 BEADMP CC[C@@H](C)[C@@H](C)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001473732518 987539794 /nfs/dbraw/zinc/53/97/94/987539794.db2.gz SPYIJGZPECMIPW-GHMZBOCLSA-N 2 1 233.359 2.457 20 0 BEADMP CC[C@@H](C)[C@@H](C)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001473732518 987539807 /nfs/dbraw/zinc/53/98/07/987539807.db2.gz SPYIJGZPECMIPW-GHMZBOCLSA-N 2 1 233.359 2.457 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@]2(C)CCC[NH2+]C2)C1 ZINC001246187008 987568031 /nfs/dbraw/zinc/56/80/31/987568031.db2.gz FJCIGMSXLIXTRN-FRRDWIJNSA-N 2 1 210.365 2.297 20 0 BEADMP CC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ncccc1C ZINC001246189793 987581167 /nfs/dbraw/zinc/58/11/67/987581167.db2.gz LZCQDFHPFJDZBU-CYBMUJFWSA-N 2 1 233.359 2.183 20 0 BEADMP Cc1ccnc(CCC[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC001246240033 987638368 /nfs/dbraw/zinc/63/83/68/987638368.db2.gz LIYYFPIYDQFJIW-DZGCQCFKSA-N 2 1 247.386 2.053 20 0 BEADMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccccn1 ZINC001246240601 987643024 /nfs/dbraw/zinc/64/30/24/987643024.db2.gz QYSKABQBKWTTAO-AGIUHOORSA-N 2 1 233.359 2.263 20 0 BEADMP CCCC[C@@H]1C[C@H]([NH2+]CCC(C)(C)[NH3+])CC[NH2+]1 ZINC001246271905 987665489 /nfs/dbraw/zinc/66/54/89/987665489.db2.gz JGHCJVOMSDHPLH-CHWSQXEVSA-N 3 1 241.423 2.014 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1CCc2c(C)cccc2C1 ZINC001246272873 987667409 /nfs/dbraw/zinc/66/74/09/987667409.db2.gz OIMZQYFDKPPRQD-CQSZACIVSA-N 2 1 232.371 2.051 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccn2)C2CC2)CC[NH2+]1 ZINC001246276231 987670826 /nfs/dbraw/zinc/67/08/26/987670826.db2.gz BUMODDKSPDTPNI-UXIGCNINSA-N 2 1 245.370 2.263 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2C[C@H](C)[C@H](C)C2)CC1 ZINC001474370321 987703188 /nfs/dbraw/zinc/70/31/88/987703188.db2.gz XHFKPXATGCTOKO-BETUJISGSA-N 2 1 224.392 2.306 20 0 BEADMP C[C@H]1CCC[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC001246332647 987739247 /nfs/dbraw/zinc/73/92/47/987739247.db2.gz QVUWSIHYHLYEBM-CYDGBPFRSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C2CC3(C2)CC(F)(F)C3)C[NH2+]1 ZINC001246336663 987745618 /nfs/dbraw/zinc/74/56/18/987745618.db2.gz VBTNDAQLYRECOH-ZJUUUORDSA-N 2 1 244.329 2.294 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CCCCCCCCO)C[NH2+]1 ZINC001246345048 987752853 /nfs/dbraw/zinc/75/28/53/987752853.db2.gz VACOVGSNOTYDHN-ZIAGYGMSSA-N 2 1 242.407 2.049 20 0 BEADMP CC1(C)C[C@@H]([NH2+][C@@H]2CNc3ccccc32)CC[NH2+]1 ZINC001246357014 987764442 /nfs/dbraw/zinc/76/44/42/987764442.db2.gz SAWFNBZJRLSDSQ-SMDDNHRTSA-N 2 1 245.370 2.273 20 0 BEADMP CC[C@@H]1C[C@@H]([NH2+][C@H]2CNc3ccccc32)CC[NH2+]1 ZINC001246356925 987764472 /nfs/dbraw/zinc/76/44/72/987764472.db2.gz RBQFVFFIOLHSOS-XUJVJEKNSA-N 2 1 245.370 2.273 20 0 BEADMP c1ccc2c(c1)NC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246356979 987764634 /nfs/dbraw/zinc/76/46/34/987764634.db2.gz RRLOPSUMNXMMNS-BTQFLJHSSA-N 2 1 243.354 2.026 20 0 BEADMP CCCC[C@H]1C[C@@H]([NH2+]C(C)(C)CC[NH3+])CC[NH2+]1 ZINC001246357835 987767054 /nfs/dbraw/zinc/76/70/54/987767054.db2.gz ASTHAITYFFKGAQ-STQMWFEESA-N 3 1 241.423 2.014 20 0 BEADMP c1ccc2c(c1)CC[C@H](C[NH2+][C@H]1CCC[NH2+]C1)C2 ZINC001246397890 987783311 /nfs/dbraw/zinc/78/33/11/987783311.db2.gz UQFOYCUPFLFKKB-BBRMVZONSA-N 2 1 244.382 2.133 20 0 BEADMP Fc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC001246395972 987785158 /nfs/dbraw/zinc/78/51/58/987785158.db2.gz NKAFZOWOPMSDOZ-HUUCEWRRSA-N 2 1 248.345 2.025 20 0 BEADMP CCCCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CC(C)(C)O1 ZINC001246411535 987790347 /nfs/dbraw/zinc/79/03/47/987790347.db2.gz FHNZASOJMKBBQD-QWHCGFSZSA-N 2 1 242.407 2.312 20 0 BEADMP CC[C@H](CC(C)C)[NH2+]C[C@H]1C[NH2+]CC(C)(C)O1 ZINC001246413183 987791804 /nfs/dbraw/zinc/79/18/04/987791804.db2.gz OAWKJYRPBFHLFL-CHWSQXEVSA-N 2 1 242.407 2.168 20 0 BEADMP CC[C@@H](C)C[C@@H](CC)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246451889 987793683 /nfs/dbraw/zinc/79/36/83/987793683.db2.gz ICOGFOBAZNFFGY-ZIAGYGMSSA-N 3 1 243.439 2.119 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]CC2(CC3CC3)CC2)C[NH2+]1 ZINC001246429664 987794739 /nfs/dbraw/zinc/79/47/39/987794739.db2.gz CGQMDKXYECRAEE-WCQYABFASA-N 2 1 222.376 2.297 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CC2(CC3CC3)CC2)C[NH2+]1 ZINC001246429665 987796235 /nfs/dbraw/zinc/79/62/35/987796235.db2.gz CGQMDKXYECRAEE-YPMHNXCESA-N 2 1 222.376 2.297 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]C(C)(C)Cc2ccccn2)C[NH2+]1 ZINC001246432883 987798636 /nfs/dbraw/zinc/79/86/36/987798636.db2.gz IQGJDGDIMIOZHD-GXTWGEPZSA-N 2 1 247.386 2.133 20 0 BEADMP CCCCC[C@@H](CC)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246452614 987810124 /nfs/dbraw/zinc/81/01/24/987810124.db2.gz KOKYVWBAWHWRTK-CQSZACIVSA-N 3 1 243.439 2.263 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246496439 987849966 /nfs/dbraw/zinc/84/99/66/987849966.db2.gz UKQINANDJXXSHP-MLGHIDQZSA-N 2 1 210.365 2.151 20 0 BEADMP C[C@@H]1CC[C@@H](C)C1[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246496438 987851611 /nfs/dbraw/zinc/85/16/11/987851611.db2.gz UKQINANDJXXSHP-KKOKHZNYSA-N 2 1 210.365 2.151 20 0 BEADMP CC[C@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]C[C@H](C)C2)C1 ZINC001246499045 987852083 /nfs/dbraw/zinc/85/20/83/987852083.db2.gz RPGQDVYIJKLATB-VOAKCMCISA-N 2 1 210.365 2.153 20 0 BEADMP CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]C[C@H](C)C2)C1 ZINC001246499043 987853430 /nfs/dbraw/zinc/85/34/30/987853430.db2.gz RPGQDVYIJKLATB-NDBYEHHHSA-N 2 1 210.365 2.153 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+]C/C=C\C1CC1 ZINC001117706684 987871112 /nfs/dbraw/zinc/87/11/12/987871112.db2.gz MRVZJERXZRIRIY-ARJAWSKDSA-N 2 1 231.343 2.203 20 0 BEADMP CCCCCC[C@H](C)[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC001246536659 987893214 /nfs/dbraw/zinc/89/32/14/987893214.db2.gz VULAOWJBJXVVDT-UONOGXRCSA-N 2 1 242.407 2.395 20 0 BEADMP C[C@@H]1CC([N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)C[C@@H](C)C1 ZINC001246535368 987894390 /nfs/dbraw/zinc/89/43/90/987894390.db2.gz YEKBGQHLAMIXDE-GMXVVIOVSA-N 2 1 222.376 2.234 20 0 BEADMP C[C@@H]1CC([N@H+]2C[C@@H]([NH3+])C3(CC3)C2)C[C@@H](C)C1 ZINC001246535368 987894394 /nfs/dbraw/zinc/89/43/94/987894394.db2.gz YEKBGQHLAMIXDE-GMXVVIOVSA-N 2 1 222.376 2.234 20 0 BEADMP CC(C)OCC[C@@H](C)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246538411 987897444 /nfs/dbraw/zinc/89/74/44/987897444.db2.gz BVMVTEZYKXIRQR-OLZOCXBDSA-N 2 1 228.380 2.003 20 0 BEADMP CCOC1CCC([N@H+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001246540003 987900962 /nfs/dbraw/zinc/90/09/62/987900962.db2.gz DXIKQFKBRPEYKH-HSBZDZAISA-N 2 1 240.391 2.147 20 0 BEADMP CO[C@@H]1CCC[C@@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)C1 ZINC001246546813 987925877 /nfs/dbraw/zinc/92/58/77/987925877.db2.gz AKRHKGCNEADANT-MGPQQGTHSA-N 2 1 240.391 2.147 20 0 BEADMP C[C@@H]1c2ccccc2CC[N@H+]1C1CC[NH2+]CC1 ZINC001246547768 987927678 /nfs/dbraw/zinc/92/76/78/987927678.db2.gz NPZLGYJUTKSJAF-GFCCVEGCSA-N 2 1 230.355 2.358 20 0 BEADMP CCC(CC)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246549385 987938321 /nfs/dbraw/zinc/93/83/21/987938321.db2.gz MFFFJNKNWGKWEY-LBPRGKRZSA-N 2 1 216.344 2.328 20 0 BEADMP CC1(C)C[C@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CCO1 ZINC001246552077 987949373 /nfs/dbraw/zinc/94/93/73/987949373.db2.gz NRBVZNCPKHXICI-TZMCWYRMSA-N 2 1 240.391 2.147 20 0 BEADMP CSCC[C@@H](C)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246552938 987951791 /nfs/dbraw/zinc/95/17/91/987951791.db2.gz QDXBDAMEBHOKGZ-VXGBXAGGSA-N 2 1 230.421 2.331 20 0 BEADMP C[C@H](CC1CC1)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246552845 987952096 /nfs/dbraw/zinc/95/20/96/987952096.db2.gz VVDUYNXMIGZXFI-DGCLKSJQSA-N 2 1 228.355 2.328 20 0 BEADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CCO1 ZINC001246551687 987952928 /nfs/dbraw/zinc/95/29/28/987952928.db2.gz MKFQZNDFZPNPCM-BFHYXJOUSA-N 2 1 240.391 2.147 20 0 BEADMP C[C@H](CC1CC1)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246552847 987953047 /nfs/dbraw/zinc/95/30/47/987953047.db2.gz VVDUYNXMIGZXFI-YPMHNXCESA-N 2 1 228.355 2.328 20 0 BEADMP CC1(C)C[C@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CCO1 ZINC001246552075 987955633 /nfs/dbraw/zinc/95/56/33/987955633.db2.gz NRBVZNCPKHXICI-OCCSQVGLSA-N 2 1 240.391 2.147 20 0 BEADMP CC1(C)CC[C@H]([N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)C1 ZINC001246553306 987960086 /nfs/dbraw/zinc/96/00/86/987960086.db2.gz AUEMDAXSVSUTQF-MNOVXSKESA-N 2 1 246.345 2.481 20 0 BEADMP CCC[C@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246553601 987960322 /nfs/dbraw/zinc/96/03/22/987960322.db2.gz ZKEOBOMTQCNKBM-NWDGAFQWSA-N 2 1 216.344 2.328 20 0 BEADMP C[C@H]1CC[N@H+](C2CCCC2)CC[C@H]1C[NH3+] ZINC001246558593 987973653 /nfs/dbraw/zinc/97/36/53/987973653.db2.gz MQPYQKBLGQPPRI-RYUDHWBXSA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@@H]1CC[C@@H]([N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)C1 ZINC001246557584 987979247 /nfs/dbraw/zinc/97/92/47/987979247.db2.gz MIZWOROXXRCCCN-IJLUTSLNSA-N 2 1 246.345 2.481 20 0 BEADMP C[C@H]1C[N@H+](C2CCSCC2)CCC[C@@H]1C[NH3+] ZINC001246564956 988012485 /nfs/dbraw/zinc/01/24/85/988012485.db2.gz GWVNVMNDNQAXHU-NWDGAFQWSA-N 2 1 242.432 2.189 20 0 BEADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3C[C@H]3C2)CCC[C@@H]1C[NH3+] ZINC001246571770 988057334 /nfs/dbraw/zinc/05/73/34/988057334.db2.gz WYZLHAYFWBAYGA-POQQGIQPSA-N 2 1 222.376 2.092 20 0 BEADMP CCOCC[C@@H](C)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246571266 988058139 /nfs/dbraw/zinc/05/81/39/988058139.db2.gz AREYRNVZLFEHKS-ZIAGYGMSSA-N 2 1 242.407 2.252 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@@](F)(C[NH3+])C2)C1 ZINC001246572728 988059886 /nfs/dbraw/zinc/05/98/86/988059886.db2.gz BAIOFEQMWCIJHW-FRRDWIJNSA-N 2 1 228.355 2.328 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@](F)(C[NH3+])C2)C1 ZINC001246572728 988059902 /nfs/dbraw/zinc/05/99/02/988059902.db2.gz BAIOFEQMWCIJHW-FRRDWIJNSA-N 2 1 228.355 2.328 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)(F)CC2)CC[NH2+]1 ZINC001246573131 988067506 /nfs/dbraw/zinc/06/75/06/988067506.db2.gz YUBYOFQTQWTFPD-JHJVBQTASA-N 2 1 228.355 2.341 20 0 BEADMP CCC(CC)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246575090 988078782 /nfs/dbraw/zinc/07/87/82/988078782.db2.gz GSZSGNXGJYRKPL-LBPRGKRZSA-N 2 1 216.344 2.328 20 0 BEADMP CCC(CC)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246575090 988078802 /nfs/dbraw/zinc/07/88/02/988078802.db2.gz GSZSGNXGJYRKPL-LBPRGKRZSA-N 2 1 216.344 2.328 20 0 BEADMP CC(C)OCC[C@H](C)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246584164 988119629 /nfs/dbraw/zinc/11/96/29/988119629.db2.gz SOQUJIIKDGVMBP-KBPBESRZSA-N 2 1 242.407 2.251 20 0 BEADMP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)C[C@@H]21 ZINC001246588234 988156185 /nfs/dbraw/zinc/15/61/85/988156185.db2.gz PQAQZWUCPQUFHK-IEECTRCBSA-N 2 1 240.366 2.182 20 0 BEADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)C[C@@H]21 ZINC001246588234 988156203 /nfs/dbraw/zinc/15/62/03/988156203.db2.gz PQAQZWUCPQUFHK-IEECTRCBSA-N 2 1 240.366 2.182 20 0 BEADMP C[C@@H](Cc1ccccn1)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246592532 988174416 /nfs/dbraw/zinc/17/44/16/988174416.db2.gz KBGCQTOZJRHHAP-UONOGXRCSA-N 2 1 247.386 2.073 20 0 BEADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@H]2CCCOCC2)C1 ZINC001246593915 988182776 /nfs/dbraw/zinc/18/27/76/988182776.db2.gz OTSZHERGZFZJFL-KBPBESRZSA-N 2 1 240.391 2.006 20 0 BEADMP C[C@@H](Cc1ccco1)[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246613490 988237543 /nfs/dbraw/zinc/23/75/43/988237543.db2.gz ZUEOPADQWIQNIJ-ZFWWWQNUSA-N 2 1 248.370 2.429 20 0 BEADMP C[C@@H](Cc1ccco1)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246613490 988237564 /nfs/dbraw/zinc/23/75/64/988237564.db2.gz ZUEOPADQWIQNIJ-ZFWWWQNUSA-N 2 1 248.370 2.429 20 0 BEADMP C[C@H](Cc1ccco1)[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246613444 988244498 /nfs/dbraw/zinc/24/44/98/988244498.db2.gz ZUEOPADQWIQNIJ-HIFRSBDPSA-N 2 1 248.370 2.429 20 0 BEADMP C[C@H](Cc1ccco1)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246613444 988244512 /nfs/dbraw/zinc/24/45/12/988244512.db2.gz ZUEOPADQWIQNIJ-HIFRSBDPSA-N 2 1 248.370 2.429 20 0 BEADMP C1CCC2(C1)CCC[N@@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246616536 988261739 /nfs/dbraw/zinc/26/17/39/988261739.db2.gz WWWPAXQNOIGMRB-CYBMUJFWSA-N 2 1 222.376 2.395 20 0 BEADMP C1CCC2(C1)CCC[N@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246616536 988261758 /nfs/dbraw/zinc/26/17/58/988261758.db2.gz WWWPAXQNOIGMRB-CYBMUJFWSA-N 2 1 222.376 2.395 20 0 BEADMP CC[C@H](C)C[C@H](CC)[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246629707 988303211 /nfs/dbraw/zinc/30/32/11/988303211.db2.gz HIHLROHSUAAXBN-XDQVBPFNSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](C)C[C@H](CC)[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246629707 988303226 /nfs/dbraw/zinc/30/32/26/988303226.db2.gz HIHLROHSUAAXBN-XDQVBPFNSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H](C)C[C@H](CC)[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246629712 988308372 /nfs/dbraw/zinc/30/83/72/988308372.db2.gz HIHLROHSUAAXBN-ZOBORPQBSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H](C)C[C@H](CC)[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246629712 988308390 /nfs/dbraw/zinc/30/83/90/988308390.db2.gz HIHLROHSUAAXBN-ZOBORPQBSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)CC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246629630 988309488 /nfs/dbraw/zinc/30/94/88/988309488.db2.gz FORKKPOBYIFSCZ-RWMBFGLXSA-N 2 1 210.365 2.247 20 0 BEADMP CC(C)CC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246629630 988309503 /nfs/dbraw/zinc/30/95/03/988309503.db2.gz FORKKPOBYIFSCZ-RWMBFGLXSA-N 2 1 210.365 2.247 20 0 BEADMP C1CC12CCC([N@H+]1CC[C@H]3[NH2+]CC[C@H]31)CC2 ZINC001246635028 988316694 /nfs/dbraw/zinc/31/66/94/988316694.db2.gz IZPAGBIJMMMLMM-CHWSQXEVSA-N 2 1 220.360 2.145 20 0 BEADMP CC[C@H]1CC[C@@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246640308 988342813 /nfs/dbraw/zinc/34/28/13/988342813.db2.gz SBRGLLAOYXLWIT-UMSGYPCISA-N 2 1 208.349 2.001 20 0 BEADMP CC[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246644304 988358285 /nfs/dbraw/zinc/35/82/85/988358285.db2.gz SBRGLLAOYXLWIT-FVCCEPFGSA-N 2 1 208.349 2.001 20 0 BEADMP CCCC[C@@H](CC)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246647288 988361390 /nfs/dbraw/zinc/36/13/90/988361390.db2.gz KABQJUBGNWPMEC-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)=CCC[C@H](C)[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246653109 988376279 /nfs/dbraw/zinc/37/62/79/988376279.db2.gz RESUKXIHIBNUCH-MELADBBJSA-N 2 1 222.376 2.415 20 0 BEADMP CC(C)=CCC[C@H](C)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246653109 988376289 /nfs/dbraw/zinc/37/62/89/988376289.db2.gz RESUKXIHIBNUCH-MELADBBJSA-N 2 1 222.376 2.415 20 0 BEADMP C[C@H]1C[C@@H]([N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CC[NH2+]1 ZINC001246656403 988385746 /nfs/dbraw/zinc/38/57/46/988385746.db2.gz NOJKRZHMJRVRJY-USZNOCQGSA-N 2 1 244.329 2.104 20 0 BEADMP CCCCC[C@@H](CC)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246657992 988387546 /nfs/dbraw/zinc/38/75/46/988387546.db2.gz BMGXNDCTDAUABS-FVCCEPFGSA-N 2 1 210.365 2.234 20 0 BEADMP CCCC[C@H](C)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246658851 988388045 /nfs/dbraw/zinc/38/80/45/988388045.db2.gz AYDZLGPCTXSDMD-YNEHKIRRSA-N 2 1 210.365 2.378 20 0 BEADMP C1C[C@@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]2C1 ZINC001246656414 988388127 /nfs/dbraw/zinc/38/81/27/988388127.db2.gz NQHUFJDJNMNKQS-NLXYCFSDSA-N 2 1 234.387 2.391 20 0 BEADMP C1C[C@@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]2C1 ZINC001246656414 988388143 /nfs/dbraw/zinc/38/81/43/988388143.db2.gz NQHUFJDJNMNKQS-NLXYCFSDSA-N 2 1 234.387 2.391 20 0 BEADMP CC(C)(C)C1CCC([N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)CC1 ZINC001246665937 988406230 /nfs/dbraw/zinc/40/62/30/988406230.db2.gz VJERIBYKBCXEJA-MOIJGLSHSA-N 2 1 236.403 2.480 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001118547232 988425619 /nfs/dbraw/zinc/42/56/19/988425619.db2.gz WOSAILLHEVXFBD-ZIQFBCGOSA-N 2 1 244.329 2.008 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H](c3ccncc3)C2)CC[NH2+]1 ZINC001246774104 988455309 /nfs/dbraw/zinc/45/53/09/988455309.db2.gz COTYVIFTYIEHGP-VHDGCEQUSA-N 2 1 245.370 2.011 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CCCC3(C[NH2+]C3)C2)C[C@@H]1C ZINC001246792232 988468823 /nfs/dbraw/zinc/46/88/23/988468823.db2.gz ORBVMOXMLUWNIW-RDBSUJKOSA-N 2 1 236.403 2.497 20 0 BEADMP CC[N@H+](Cc1cccnc1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246809020 988490429 /nfs/dbraw/zinc/49/04/29/988490429.db2.gz WIJFFUYEPGDFTM-GXTWGEPZSA-N 2 1 233.359 2.044 20 0 BEADMP CC[N@@H+](Cc1cccnc1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246809020 988490448 /nfs/dbraw/zinc/49/04/48/988490448.db2.gz WIJFFUYEPGDFTM-GXTWGEPZSA-N 2 1 233.359 2.044 20 0 BEADMP COC(C)(C)[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246811808 988497223 /nfs/dbraw/zinc/49/72/23/988497223.db2.gz XMXHUXTUYZPDAC-AGIUHOORSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)[C@H](C)C1 ZINC001246811409 988497917 /nfs/dbraw/zinc/49/79/17/988497917.db2.gz VELJTGIBRWVDFS-LPWJVIDDSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@H]1C[C@@H]([N@@H+]2Cc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246814947 988498570 /nfs/dbraw/zinc/49/85/70/988498570.db2.gz ASOUQRAXHPLEPX-HZMBPMFUSA-N 2 1 234.318 2.282 20 0 BEADMP C[C@H]1C[C@@H]([N@H+]2Cc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246814947 988498580 /nfs/dbraw/zinc/49/85/80/988498580.db2.gz ASOUQRAXHPLEPX-HZMBPMFUSA-N 2 1 234.318 2.282 20 0 BEADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001246822522 988508904 /nfs/dbraw/zinc/50/89/04/988508904.db2.gz BKPBOBWWVZKDJI-IHRRRGAJSA-N 2 1 242.407 2.107 20 0 BEADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001246822522 988508917 /nfs/dbraw/zinc/50/89/17/988508917.db2.gz BKPBOBWWVZKDJI-IHRRRGAJSA-N 2 1 242.407 2.107 20 0 BEADMP CCCC(CCC)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001246846429 988552447 /nfs/dbraw/zinc/55/24/47/988552447.db2.gz NPDAZVZRNKDCEM-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CCCCC[C@H](C)[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001246845905 988557246 /nfs/dbraw/zinc/55/72/46/988557246.db2.gz NERUPRRCAVXVSR-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP CCCCC[C@H](C)[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246857569 988590295 /nfs/dbraw/zinc/59/02/95/988590295.db2.gz AZWHTYFKLVCCOG-YNEHKIRRSA-N 2 1 210.365 2.378 20 0 BEADMP CC1(C)CCC([N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246859855 988595726 /nfs/dbraw/zinc/59/57/26/988595726.db2.gz KWMLIRXMHSHVCQ-BXUZGUMPSA-N 2 1 222.376 2.378 20 0 BEADMP CC(C)CC[C@H](C)[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246862124 988600048 /nfs/dbraw/zinc/60/00/48/988600048.db2.gz QBMRWEPKEWYPEA-RWMBFGLXSA-N 2 1 210.365 2.234 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)Cc2ccc(C)cc2)C1 ZINC001246863879 988607018 /nfs/dbraw/zinc/60/70/18/988607018.db2.gz LZQIQHZPHLTMDG-GOEBONIOSA-N 2 1 246.398 2.467 20 0 BEADMP CC[C@@H](CC(C)C)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC001246866136 988622374 /nfs/dbraw/zinc/62/23/74/988622374.db2.gz ZXTQXFAZDOEERL-STQMWFEESA-N 2 1 212.381 2.352 20 0 BEADMP C[NH2+]CC[C@@H](C)[N@H+]1Cc2ccccc2C[C@@H]1C ZINC001246874047 988632074 /nfs/dbraw/zinc/63/20/74/988632074.db2.gz UVBNDJVPWHJJTD-OLZOCXBDSA-N 2 1 232.371 2.431 20 0 BEADMP [NH3+][C@]12C[C@H]1C[N@@H+]([C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001246876203 988642916 /nfs/dbraw/zinc/64/29/16/988642916.db2.gz YIJXTWTWENLLCQ-UGUYLWEFSA-N 2 1 242.366 2.356 20 0 BEADMP [NH3+][C@]12C[C@H]1C[N@H+]([C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001246876203 988642940 /nfs/dbraw/zinc/64/29/40/988642940.db2.gz YIJXTWTWENLLCQ-UGUYLWEFSA-N 2 1 242.366 2.356 20 0 BEADMP CCc1ccc(C[C@@H](C)[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC001246883941 988651433 /nfs/dbraw/zinc/65/14/33/988651433.db2.gz YUIDCHHBDNPPRM-IOASZLSFSA-N 2 1 246.398 2.459 20 0 BEADMP CCc1ccc(C[C@@H](C)[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC001246883941 988651438 /nfs/dbraw/zinc/65/14/38/988651438.db2.gz YUIDCHHBDNPPRM-IOASZLSFSA-N 2 1 246.398 2.459 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccncc2)CC1(C)C ZINC001118856469 988654142 /nfs/dbraw/zinc/65/41/42/988654142.db2.gz XHPOPQOIXNODNA-AWEZNQCLSA-N 2 1 247.386 2.087 20 0 BEADMP CCC[N@@H+](C1CCOCC1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246900270 988674228 /nfs/dbraw/zinc/67/42/28/988674228.db2.gz UOTJSRDMYYEVPC-TZMCWYRMSA-N 2 1 240.391 2.018 20 0 BEADMP FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCC[NH2+]C1 ZINC001118896598 988675663 /nfs/dbraw/zinc/67/56/63/988675663.db2.gz DFVAUGKIHXIQTA-SDDRHHMPSA-N 2 1 244.329 2.248 20 0 BEADMP C[C@@H]([NH3+])C[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC001118898759 988677080 /nfs/dbraw/zinc/67/70/80/988677080.db2.gz YXDGYHLTOXHJDJ-UQOMUDLDSA-N 2 1 230.355 2.069 20 0 BEADMP CCCOC1CCC([N@@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC001246917545 988717206 /nfs/dbraw/zinc/71/72/06/988717206.db2.gz RLVGZPRSNWSUDJ-ROKHWSDSSA-N 2 1 240.391 2.147 20 0 BEADMP CCCOC1CCC([N@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC001246917545 988717216 /nfs/dbraw/zinc/71/72/16/988717216.db2.gz RLVGZPRSNWSUDJ-ROKHWSDSSA-N 2 1 240.391 2.147 20 0 BEADMP CCC[C@@H](CC)[N@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001246929982 988745805 /nfs/dbraw/zinc/74/58/05/988745805.db2.gz RDPGHCOSIJSYCQ-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[C@@H](CC)[N@@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001246929982 988745836 /nfs/dbraw/zinc/74/58/36/988745836.db2.gz RDPGHCOSIJSYCQ-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246935404 988758422 /nfs/dbraw/zinc/75/84/22/988758422.db2.gz VDBMWDDJAWCDJQ-MQYQWHSLSA-N 2 1 222.376 2.106 20 0 BEADMP CCC[C@@H](CC)[N@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001246929977 988758887 /nfs/dbraw/zinc/75/88/87/988758887.db2.gz RDPGHCOSIJSYCQ-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[C@@H](CC)[N@@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001246929977 988758893 /nfs/dbraw/zinc/75/88/93/988758893.db2.gz RDPGHCOSIJSYCQ-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@@H+]1C1CCCCC1 ZINC001246934291 988759018 /nfs/dbraw/zinc/75/90/18/988759018.db2.gz UAHDUYISEUCUFP-BETUJISGSA-N 2 1 222.376 2.251 20 0 BEADMP CC[C@H]1CCCC[N@H+]1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246936585 988766172 /nfs/dbraw/zinc/76/61/72/988766172.db2.gz FMAHAOQRSOBZIB-AVGNSLFASA-N 2 1 210.365 2.391 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+]2CCCC3(CCC3)C2)C[NH2+]1 ZINC001246943513 988773966 /nfs/dbraw/zinc/77/39/66/988773966.db2.gz UNONMYTYQTZIOO-OLZOCXBDSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CCCC3(CCC3)C2)C[NH2+]1 ZINC001246943513 988773976 /nfs/dbraw/zinc/77/39/76/988773976.db2.gz UNONMYTYQTZIOO-OLZOCXBDSA-N 2 1 222.376 2.393 20 0 BEADMP CCCCCC[C@@H](C)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246951307 988788959 /nfs/dbraw/zinc/78/89/59/988788959.db2.gz ZWDXXSDBXKYWKQ-MQYQWHSLSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)CCC[C@H](C)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246947498 988789709 /nfs/dbraw/zinc/78/97/09/988789709.db2.gz LETQSPRTROQNEE-IGQOVBAYSA-N 2 1 224.392 2.351 20 0 BEADMP CCSC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247005796 988833465 /nfs/dbraw/zinc/83/34/65/988833465.db2.gz GRRHQLYKVAPVGU-XQQFMLRXSA-N 2 1 242.432 2.202 20 0 BEADMP CCSC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247005796 988833469 /nfs/dbraw/zinc/83/34/69/988833469.db2.gz GRRHQLYKVAPVGU-XQQFMLRXSA-N 2 1 242.432 2.202 20 0 BEADMP C[NH2+]CC[C@H](C)[N@@H+](C)[C@H]1CC[C@H](C)CC1 ZINC001247003605 988838249 /nfs/dbraw/zinc/83/82/49/988838249.db2.gz MXHAIUGQRLFYNB-AVGNSLFASA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC001247016395 988843596 /nfs/dbraw/zinc/84/35/96/988843596.db2.gz USGLBMIEVVDJPB-MQYQWHSLSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC001247016395 988843598 /nfs/dbraw/zinc/84/35/98/988843598.db2.gz USGLBMIEVVDJPB-MQYQWHSLSA-N 2 1 222.376 2.249 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(F)cc(F)c1 ZINC001325267647 989136171 /nfs/dbraw/zinc/13/61/71/989136171.db2.gz NDQAPDSBKFSFGE-VIFPVBQESA-N 2 1 228.286 2.052 20 0 BEADMP Cc1cccnc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC001325317429 989155388 /nfs/dbraw/zinc/15/53/88/989155388.db2.gz AOJCCORYLUKAKB-UHFFFAOYSA-N 2 1 247.386 2.354 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1nccc2ccccc21 ZINC001325626417 989218785 /nfs/dbraw/zinc/21/87/85/989218785.db2.gz QEZBNRMRQJWLKP-LBPRGKRZSA-N 2 1 243.354 2.180 20 0 BEADMP Cc1ccccc1NC(=[NH2+])NCC1([NH+](C)C)CC1 ZINC001326948788 989784517 /nfs/dbraw/zinc/78/45/17/989784517.db2.gz MCZMVWBRZLIYSS-UHFFFAOYSA-N 2 1 246.358 2.025 20 0 BEADMP C[C@@H]1CC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138769270 991032957 /nfs/dbraw/zinc/03/29/57/991032957.db2.gz MMRNUECDKBYZRJ-CYBMUJFWSA-N 2 1 248.370 2.221 20 0 BEADMP CCC(CC)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001308554269 991036533 /nfs/dbraw/zinc/03/65/33/991036533.db2.gz NPJMDGMEQZUKHS-MELADBBJSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@H]1CC([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C[C@H](C)C1 ZINC001258169136 991066127 /nfs/dbraw/zinc/06/61/27/991066127.db2.gz USXDQRYXSJLCJA-SYQHCUMBSA-N 2 1 236.403 2.305 20 0 BEADMP C[C@H]1CC([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C[C@H](C)C1 ZINC001258169136 991066137 /nfs/dbraw/zinc/06/61/37/991066137.db2.gz USXDQRYXSJLCJA-SYQHCUMBSA-N 2 1 236.403 2.305 20 0 BEADMP C[C@H]1CC([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C[C@H](C)C1 ZINC001258169136 991066146 /nfs/dbraw/zinc/06/61/46/991066146.db2.gz USXDQRYXSJLCJA-SYQHCUMBSA-N 2 1 236.403 2.305 20 0 BEADMP CSCC[C@H](C)[N@@H+](CCC[NH3+])C(C)C ZINC001258200048 991115683 /nfs/dbraw/zinc/11/56/83/991115683.db2.gz OMUVNRFJTADUCI-NSHDSACASA-N 2 1 218.410 2.187 20 0 BEADMP CC(C)C1(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)CC1 ZINC001308959766 991234481 /nfs/dbraw/zinc/23/44/81/991234481.db2.gz DMUKADCTADHFAX-KGLIPLIRSA-N 2 1 236.403 2.306 20 0 BEADMP CC(C)C1(C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)CC1 ZINC001308959766 991234491 /nfs/dbraw/zinc/23/44/91/991234491.db2.gz DMUKADCTADHFAX-KGLIPLIRSA-N 2 1 236.403 2.306 20 0 BEADMP CC(C)C1(C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)CC1 ZINC001308959766 991234498 /nfs/dbraw/zinc/23/44/98/991234498.db2.gz DMUKADCTADHFAX-KGLIPLIRSA-N 2 1 236.403 2.306 20 0 BEADMP COc1ccc(CC[C@@H](C)[NH2+]C2(C[NH3+])CC2)cc1 ZINC001258396971 991345878 /nfs/dbraw/zinc/34/58/78/991345878.db2.gz UCZGXLFPPQPTEO-GFCCVEGCSA-N 2 1 248.370 2.097 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001560622562 991526423 /nfs/dbraw/zinc/52/64/23/991526423.db2.gz KSRMRUOLXDYHLW-IKOXMDCHSA-N 2 1 222.376 2.105 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](C)[C@@H](F)C2)CC1 ZINC001560708081 991570349 /nfs/dbraw/zinc/57/03/49/991570349.db2.gz BATLXMGYRLGXNN-JSGCOSHPSA-N 2 1 242.382 2.398 20 0 BEADMP CCCC[C@@H](CCC)[NH2+]CCC[N@@H+](C)CCO ZINC001258759444 991704148 /nfs/dbraw/zinc/70/41/48/991704148.db2.gz SYUPJWRLCCEEEF-CQSZACIVSA-N 2 1 244.423 2.249 20 0 BEADMP C[C@H]1CCC[C@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001258819999 991841628 /nfs/dbraw/zinc/84/16/28/991841628.db2.gz JEKPQAPIGSKRIY-XGUBFFRZSA-N 2 1 236.403 2.449 20 0 BEADMP C[C@@H]1CCC[C@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001258819997 991843261 /nfs/dbraw/zinc/84/32/61/991843261.db2.gz JEKPQAPIGSKRIY-KBXIAJHMSA-N 2 1 236.403 2.449 20 0 BEADMP C[C@@H]1CCC[C@@H]([N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)C1 ZINC001258827014 991849754 /nfs/dbraw/zinc/84/97/54/991849754.db2.gz GJJRVLBQMOLHMB-KBUPBQIOSA-N 2 1 236.403 2.449 20 0 BEADMP C[C@H]1CCC[C@H]([N@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001258828078 991855376 /nfs/dbraw/zinc/85/53/76/991855376.db2.gz YPLXDCFAYAHLJM-STQMWFEESA-N 2 1 233.359 2.320 20 0 BEADMP C[C@H]1CCC[C@H]([N@@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001258828078 991855380 /nfs/dbraw/zinc/85/53/80/991855380.db2.gz YPLXDCFAYAHLJM-STQMWFEESA-N 2 1 233.359 2.320 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC1(F)F ZINC001258896995 991891077 /nfs/dbraw/zinc/89/10/77/991891077.db2.gz BKHPCIYVKISNFE-QWRGUYRKSA-N 2 1 234.334 2.494 20 0 BEADMP CCOC1CC([NH2+][C@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001320130291 992109931 /nfs/dbraw/zinc/10/99/31/992109931.db2.gz CQDSTLIIKMNNNM-CLRIEMFWSA-N 2 1 240.391 2.016 20 0 BEADMP FC1(F)CC[C@H](CC[NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001574227526 992824298 /nfs/dbraw/zinc/82/42/98/992824298.db2.gz URKVHTRVHUSNPY-MNOVXSKESA-N 2 1 232.318 2.154 20 0 BEADMP FC1(F)CC[C@@H](CC[NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC001574227533 992825414 /nfs/dbraw/zinc/82/54/14/992825414.db2.gz URKVHTRVHUSNPY-WDEREUQCSA-N 2 1 232.318 2.154 20 0 BEADMP C(C[N@H+]1CC[C@@H](C2CCC2)C1)[C@H]1CC[NH2+]C1 ZINC001574773963 992899193 /nfs/dbraw/zinc/89/91/93/992899193.db2.gz HNPIXMNJYDCNHK-TZMCWYRMSA-N 2 1 222.376 2.108 20 0 BEADMP C(C1CC1)[N@@H+](CC1C[NH2+]C1)C1CCCCC1 ZINC001574795966 992911305 /nfs/dbraw/zinc/91/13/05/992911305.db2.gz RKSGBUWGJIUGNP-UHFFFAOYSA-N 2 1 222.376 2.251 20 0 BEADMP CC(C)(C)[C@@H]1CCC[N@H+]1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC001575120254 992989063 /nfs/dbraw/zinc/98/90/63/992989063.db2.gz SJKHKGLQXYGZOJ-DYEKYZERSA-N 2 1 222.376 2.106 20 0 BEADMP CC(C)(C)[C@@H](CN)[NH2+]Cc1cccn1C(F)F ZINC001575109018 992989121 /nfs/dbraw/zinc/98/91/21/992989121.db2.gz SXHJGWWHXLYSHT-SNVBAGLBSA-N 2 1 245.317 2.346 20 0 BEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cccn1C(F)F ZINC001575109018 992989128 /nfs/dbraw/zinc/98/91/28/992989128.db2.gz SXHJGWWHXLYSHT-SNVBAGLBSA-N 2 1 245.317 2.346 20 0 BEADMP CC(C)(C[NH3+])[NH2+]C[C@@H]1CCc2ccccc21 ZINC001575317420 993009424 /nfs/dbraw/zinc/00/94/24/993009424.db2.gz AZQYSRNUEZTLKS-LBPRGKRZSA-N 2 1 218.344 2.043 20 0 BEADMP CC(C)(C[NH3+])[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC001575318312 993009521 /nfs/dbraw/zinc/00/95/21/993009521.db2.gz ROCHSDZCFLAJQU-LBPRGKRZSA-N 2 1 240.391 2.195 20 0 BEADMP Cc1cc(F)cc(N[C@@H](C)CC[NH+](C)C)[nH+]1 ZINC001262680441 993020603 /nfs/dbraw/zinc/02/06/03/993020603.db2.gz CSHBKPIKWAZNGL-VIFPVBQESA-N 2 1 225.311 2.281 20 0 BEADMP CC(C)[C@@H]1CCCCC[N@H+]1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC001575499619 993058446 /nfs/dbraw/zinc/05/84/46/993058446.db2.gz FLNIKPYYVQADEF-ILXRZTDVSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)C1CC([NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)C1 ZINC001575499646 993059422 /nfs/dbraw/zinc/05/94/22/993059422.db2.gz VLXYKDYKQXCJJK-HRDMENRUSA-N 2 1 224.392 2.397 20 0 BEADMP CC(C)C[C@@H]1CCC[N@@H+](C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC001575549351 993069432 /nfs/dbraw/zinc/06/94/32/993069432.db2.gz GOHPWCSJTZPCHQ-SOUVJXGZSA-N 2 1 236.403 2.354 20 0 BEADMP CC(C)CSCCC[N@@H+](C)C1CC([NH3+])C1 ZINC001575617726 993083703 /nfs/dbraw/zinc/08/37/03/993083703.db2.gz QNKMTYAKBIOGRY-UHFFFAOYSA-N 2 1 230.421 2.187 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)Cc1cccnc1)[C@H]1CCCC[NH2+]1 ZINC001576055883 993167062 /nfs/dbraw/zinc/16/70/62/993167062.db2.gz HUKGYOUKMYBSCK-GZBFAFLISA-N 2 1 247.386 2.133 20 0 BEADMP CC1(C)[C@@H]2C[N@@H+](C[C@H]([NH3+])Cc3ccccc3)C[C@@H]21 ZINC000379558826 993251860 /nfs/dbraw/zinc/25/18/60/993251860.db2.gz LSOWCHVXUJLCNH-KFWWJZLASA-N 2 1 244.382 2.144 20 0 BEADMP CC1(C)[C@@H]2C[N@H+](C[C@H]([NH3+])Cc3ccccc3)C[C@@H]21 ZINC000379558826 993251867 /nfs/dbraw/zinc/25/18/67/993251867.db2.gz LSOWCHVXUJLCNH-KFWWJZLASA-N 2 1 244.382 2.144 20 0 BEADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC001576380195 993284548 /nfs/dbraw/zinc/28/45/48/993284548.db2.gz JVUCDMYXCSTYKS-XQQFMLRXSA-N 2 1 245.370 2.174 20 0 BEADMP Cc1ncsc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000380752191 993344067 /nfs/dbraw/zinc/34/40/67/993344067.db2.gz UJJFVYNHAKHNKF-NSHDSACASA-N 2 1 239.388 2.012 20 0 BEADMP CC[C@H]1CC[C@@H]([NH2+]CCn2cc[nH+]c2C)C1 ZINC000380814881 993352122 /nfs/dbraw/zinc/35/21/22/993352122.db2.gz KVRKBZARVCBONM-QWHCGFSZSA-N 2 1 221.348 2.360 20 0 BEADMP C[C@@H]1CC(C)(C)C[N@H+]1CCC[NH2+]C1CC1 ZINC001576590140 993352944 /nfs/dbraw/zinc/35/29/44/993352944.db2.gz ZDJIAUAKLMTLSY-LLVKDONJSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1CC=CC[C@H]1[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001576671281 993382881 /nfs/dbraw/zinc/38/28/81/993382881.db2.gz WPVQXYUFPOUKFK-YVECIDJPSA-N 2 1 208.349 2.071 20 0 BEADMP C[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000381279199 993383265 /nfs/dbraw/zinc/38/32/65/993383265.db2.gz XRPATXIGFXMWOP-IVZWLZJFSA-N 2 1 238.297 2.257 20 0 BEADMP C[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000381279199 993383272 /nfs/dbraw/zinc/38/32/72/993383272.db2.gz XRPATXIGFXMWOP-IVZWLZJFSA-N 2 1 238.297 2.257 20 0 BEADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCSC2)[C@H](C)C1 ZINC000381512978 993402117 /nfs/dbraw/zinc/40/21/17/993402117.db2.gz RQHYYBOBDONXDB-FRRDWIJNSA-N 2 1 242.432 2.200 20 0 BEADMP CC(C)C([NH2+][C@@H]1C[NH2+]C[C@@H](C)C1)C(C)C ZINC001576849776 993433356 /nfs/dbraw/zinc/43/33/56/993433356.db2.gz KEFAXJHQERADKR-RYUDHWBXSA-N 2 1 212.381 2.255 20 0 BEADMP C[C@H](Cc1ccco1)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000383652631 993507467 /nfs/dbraw/zinc/50/74/67/993507467.db2.gz DVOCYRQVWNACQJ-OLZOCXBDSA-N 2 1 236.359 2.271 20 0 BEADMP C[C@H](Cc1ccco1)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000383652629 993510201 /nfs/dbraw/zinc/51/02/01/993510201.db2.gz DVOCYRQVWNACQJ-CHWSQXEVSA-N 2 1 236.359 2.271 20 0 BEADMP CC[C@H]1CCC[C@@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)C1 ZINC001577246534 993553930 /nfs/dbraw/zinc/55/39/30/993553930.db2.gz DTMIYRKYWPGLMF-LJISPDSOSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@H]1CCC[C@@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)C1 ZINC001577246534 993553935 /nfs/dbraw/zinc/55/39/35/993553935.db2.gz DTMIYRKYWPGLMF-LJISPDSOSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2CC[NH2+]C[C@H](C)C2)c1 ZINC000385299374 993656717 /nfs/dbraw/zinc/65/67/17/993656717.db2.gz KPWVWEHBRDUOAC-ZDUSSCGKSA-N 2 1 232.371 2.345 20 0 BEADMP CCCSC[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001577597107 993690806 /nfs/dbraw/zinc/69/08/06/993690806.db2.gz QGDPRUBXYIQFCW-SRVKXCTJSA-N 2 1 230.421 2.248 20 0 BEADMP CC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C[C@H](C)OC ZINC001577672058 993719247 /nfs/dbraw/zinc/71/92/47/993719247.db2.gz SETSLJDYAWDXOO-QWHCGFSZSA-N 2 1 244.423 2.497 20 0 BEADMP CC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C[C@H](C)OC ZINC001577672058 993719258 /nfs/dbraw/zinc/71/92/58/993719258.db2.gz SETSLJDYAWDXOO-QWHCGFSZSA-N 2 1 244.423 2.497 20 0 BEADMP C[NH+](C)[C@H](C[NH2+]C1CC(C)(C)C1)C1CC1 ZINC000389908435 993766813 /nfs/dbraw/zinc/76/68/13/993766813.db2.gz IAHDRINDUNYUHG-GFCCVEGCSA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)CC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000390189738 993776010 /nfs/dbraw/zinc/77/60/10/993776010.db2.gz MTCKVGWQGBDUHM-MJBXVCDLSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)CC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000390189738 993776014 /nfs/dbraw/zinc/77/60/14/993776014.db2.gz MTCKVGWQGBDUHM-MJBXVCDLSA-N 2 1 224.392 2.495 20 0 BEADMP C[N@H+]1CC[C@H](C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000390470474 993791661 /nfs/dbraw/zinc/79/16/61/993791661.db2.gz JCERMHZNRUMCNO-GFCCVEGCSA-N 2 1 222.376 2.251 20 0 BEADMP [NH3+]C[C@@H]1CCCC[N@@H+](CCc2cccs2)C1 ZINC000390470307 993792508 /nfs/dbraw/zinc/79/25/08/993792508.db2.gz HCAXZRDXPYYVTC-LBPRGKRZSA-N 2 1 238.400 2.351 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C2CC3(CCC3)C2)C[NH2+]1 ZINC000829314714 994573616 /nfs/dbraw/zinc/57/36/16/994573616.db2.gz USYYTIJIODJRAT-GHMZBOCLSA-N 2 1 208.349 2.049 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]C2CC3(CCC3)C2)C[NH2+]1 ZINC000829314717 994574684 /nfs/dbraw/zinc/57/46/84/994574684.db2.gz USYYTIJIODJRAT-WDEREUQCSA-N 2 1 208.349 2.049 20 0 BEADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CC3CC3)C[C@@H]2C1 ZINC001335584631 994818844 /nfs/dbraw/zinc/81/88/44/994818844.db2.gz WXKFMLDIXIFISH-MELADBBJSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001621570548 1170164149 /nfs/dbraw/zinc/16/41/49/1170164149.db2.gz XACUCJSLKICMMB-FAAHXZRKSA-N 2 1 236.403 2.495 20 0 BEADMP CCc1ccc(C[N@@H+](C)CCCC[NH3+])cc1 ZINC000036198785 1170912293 /nfs/dbraw/zinc/91/22/93/1170912293.db2.gz SKBMLJLJTCTFHU-UHFFFAOYSA-N 2 1 220.360 2.420 20 0 BEADMP CCCC[N@@H+](CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747537 1171153165 /nfs/dbraw/zinc/15/31/65/1171153165.db2.gz BJATXMDWIRXQAI-FUNVUKJBSA-N 2 1 210.365 2.391 20 0 BEADMP c1ccc([C@@H]2CC[N@@H+]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000050599360 1171819054 /nfs/dbraw/zinc/81/90/54/1171819054.db2.gz JRSZTULCLLFNCP-HUUCEWRRSA-N 2 1 230.355 2.228 20 0 BEADMP c1ccc([C@@H]2CC[N@H+]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000050599360 1171819061 /nfs/dbraw/zinc/81/90/61/1171819061.db2.gz JRSZTULCLLFNCP-HUUCEWRRSA-N 2 1 230.355 2.228 20 0 BEADMP CC[C@H]1CO[C@@H](C)C[N@H+]1CC(CC)(CC)C[NH3+] ZINC000051257658 1171887932 /nfs/dbraw/zinc/88/79/32/1171887932.db2.gz SJPFQSAYWLHHBV-STQMWFEESA-N 2 1 242.407 2.251 20 0 BEADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(CC)(CC)C[NH3+] ZINC000051257656 1171889631 /nfs/dbraw/zinc/88/96/31/1171889631.db2.gz SJPFQSAYWLHHBV-QWHCGFSZSA-N 2 1 242.407 2.251 20 0 BEADMP CCC[C@H](C)C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC000051321022 1171893944 /nfs/dbraw/zinc/89/39/44/1171893944.db2.gz ILTCSGLOPJDUCO-AVGNSLFASA-N 2 1 212.381 2.482 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C)C[C@@H]1C ZINC000548918496 398139114 /nfs/dbraw/zinc/13/91/14/398139114.db2.gz AWNOTSNGIQMCNR-OLZOCXBDSA-N 2 1 212.381 2.449 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1F ZINC000228152194 178000209 /nfs/dbraw/zinc/00/02/09/178000209.db2.gz HIWVPSGJCIQHNE-WCQYABFASA-N 2 1 236.334 2.303 20 0 BEADMP Cc1cc(C)cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])c1 ZINC000415012714 398153435 /nfs/dbraw/zinc/15/34/35/398153435.db2.gz UCNQQAFBRVAECK-RYUDHWBXSA-N 2 1 206.333 2.129 20 0 BEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649908587 398183655 /nfs/dbraw/zinc/18/36/55/398183655.db2.gz RWAYXHZWYKAOQF-LBPRGKRZSA-N 2 1 246.345 2.449 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649908587 398183657 /nfs/dbraw/zinc/18/36/57/398183657.db2.gz RWAYXHZWYKAOQF-LBPRGKRZSA-N 2 1 246.345 2.449 20 0 BEADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000415096565 398161870 /nfs/dbraw/zinc/16/18/70/398161870.db2.gz BKVBIUDRBNOBNT-RWMBFGLXSA-N 2 1 233.359 2.120 20 0 BEADMP C1[C@@H]([NH2+][C@H]2CCC[NH2+]C2)[C@@H]1C1CCCCC1 ZINC000415118215 398163706 /nfs/dbraw/zinc/16/37/06/398163706.db2.gz WDZDPDSTNGSLFM-MELADBBJSA-N 2 1 222.376 2.297 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C[C@@H](C)c1ccc(F)cc1 ZINC000415118945 398163732 /nfs/dbraw/zinc/16/37/32/398163732.db2.gz DVFBXHWSDGVOFS-GFCCVEGCSA-N 2 1 238.350 2.471 20 0 BEADMP C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423174059 398164270 /nfs/dbraw/zinc/16/42/70/398164270.db2.gz BDDPBPWMJLPKQE-DDHJBXDOSA-N 2 1 228.405 2.001 20 0 BEADMP Cc1cc(F)ccc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271894734 178085275 /nfs/dbraw/zinc/08/52/75/178085275.db2.gz PBLFMOADOVWHED-UHFFFAOYSA-N 2 1 248.345 2.486 20 0 BEADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227058190 178085589 /nfs/dbraw/zinc/08/55/89/178085589.db2.gz LGODTSYLCZHEQN-SMDDNHRTSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227058190 178085591 /nfs/dbraw/zinc/08/55/91/178085591.db2.gz LGODTSYLCZHEQN-SMDDNHRTSA-N 2 1 236.334 2.303 20 0 BEADMP CCC[C@H](C[NH2+]CCC[N@@H+](C)C(C)C)OC ZINC000385947782 398193401 /nfs/dbraw/zinc/19/34/01/398193401.db2.gz CDKXWGUFIIFSRO-CYBMUJFWSA-N 2 1 230.396 2.121 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)[C@H]1C ZINC000336697650 398198710 /nfs/dbraw/zinc/19/87/10/398198710.db2.gz ZFZCZIFTEQEWAQ-FRRDWIJNSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1[C@@H](C)CC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000380602292 398202449 /nfs/dbraw/zinc/20/24/49/398202449.db2.gz HJGSJNOUCVGFNQ-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cc(NC[C@@H](C)C[NH+]2CCCC2)nc(C)[nH+]1 ZINC000058003323 178165224 /nfs/dbraw/zinc/16/52/24/178165224.db2.gz YEOIOKGQIREERA-LLVKDONJSA-N 2 1 248.374 2.237 20 0 BEADMP Cc1[nH+]ccn1C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000258814446 349518139 /nfs/dbraw/zinc/51/81/39/349518139.db2.gz KQEOUZXHELDFGC-GFCCVEGCSA-N 2 1 233.290 2.073 20 0 BEADMP Cc1cc(NCC2(C)CC[NH+](C)CC2)nc(C)[nH+]1 ZINC000232181128 178157353 /nfs/dbraw/zinc/15/73/53/178157353.db2.gz SQKUWXRJOAPXOU-UHFFFAOYSA-N 2 1 248.374 2.237 20 0 BEADMP C[C@](C[NH3+])([NH2+]CCCc1ccccc1)C1CC1 ZINC000430573539 398229301 /nfs/dbraw/zinc/22/93/01/398229301.db2.gz RNSYKXIWAHCOFB-OAHLLOKOSA-N 2 1 232.371 2.336 20 0 BEADMP CCC[N@@H+](CCCOC(C)C)C1CC[NH2+]CC1 ZINC000431103845 398234786 /nfs/dbraw/zinc/23/47/86/398234786.db2.gz ZHDNURMTXGXUMA-UHFFFAOYSA-N 2 1 242.407 2.266 20 0 BEADMP CCC(CC)C[NH2+]CCn1cc[nH+]c1C ZINC000159260469 168362151 /nfs/dbraw/zinc/36/21/51/168362151.db2.gz YYPYCQVMJYKCCN-UHFFFAOYSA-N 2 1 209.337 2.217 20 0 BEADMP CCC[NH+](CCC)CCCc1c[nH+]cn1C ZINC000576596523 365636597 /nfs/dbraw/zinc/63/65/97/365636597.db2.gz VRLONAFYFVBURC-UHFFFAOYSA-N 2 1 223.364 2.475 20 0 BEADMP Cc1cccc(CC[N@H+](C)C[C@H]2CC[NH+](C)C2)c1 ZINC000449262921 398266239 /nfs/dbraw/zinc/26/62/39/398266239.db2.gz FYSJXIUHQKGWCQ-MRXNPFEDSA-N 2 1 246.398 2.421 20 0 BEADMP Cc1cccc(CC[NH+](C)C[C@H]2CC[N@H+](C)C2)c1 ZINC000449262921 398266242 /nfs/dbraw/zinc/26/62/42/398266242.db2.gz FYSJXIUHQKGWCQ-MRXNPFEDSA-N 2 1 246.398 2.421 20 0 BEADMP Cc1cccc(CC[NH+](C)C[C@H]2CC[N@@H+](C)C2)c1 ZINC000449262921 398266245 /nfs/dbraw/zinc/26/62/45/398266245.db2.gz FYSJXIUHQKGWCQ-MRXNPFEDSA-N 2 1 246.398 2.421 20 0 BEADMP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)[C@@H](C)C1 ZINC000378761552 346828306 /nfs/dbraw/zinc/82/83/06/346828306.db2.gz KBFBNRPZMZVMDU-WUHRBBMRSA-N 2 1 228.355 2.197 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)[C@@H](C)C1 ZINC000378761552 346828310 /nfs/dbraw/zinc/82/83/10/346828310.db2.gz KBFBNRPZMZVMDU-WUHRBBMRSA-N 2 1 228.355 2.197 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624124196 346853973 /nfs/dbraw/zinc/85/39/73/346853973.db2.gz ZSSHLMDDESGQDW-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000166562560 361851586 /nfs/dbraw/zinc/85/15/86/361851586.db2.gz FBUSIUYPLXFZER-LBPRGKRZSA-N 2 1 200.370 2.351 20 0 BEADMP C[NH+]1CCC([NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000083371995 398278293 /nfs/dbraw/zinc/27/82/93/398278293.db2.gz VTGMQDOXMYXDKE-UHFFFAOYSA-N 2 1 243.354 2.352 20 0 BEADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)CC1CC1 ZINC000166564460 361853263 /nfs/dbraw/zinc/85/32/63/361853263.db2.gz SMGFXXAVQWRZDQ-LBPRGKRZSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)CC1CC1 ZINC000166564563 361853319 /nfs/dbraw/zinc/85/33/19/361853319.db2.gz SMGFXXAVQWRZDQ-GFCCVEGCSA-N 2 1 212.381 2.495 20 0 BEADMP CCC(CC)[NH2+]CCC[N@@H+](C)C(C)C ZINC000166567027 361853515 /nfs/dbraw/zinc/85/35/15/361853515.db2.gz RKLLVMDFFFJJHO-UHFFFAOYSA-N 2 1 200.370 2.495 20 0 BEADMP CC[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000162230869 349613537 /nfs/dbraw/zinc/61/35/37/349613537.db2.gz HBBJFUQGDKIZKQ-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000530513426 342801845 /nfs/dbraw/zinc/80/18/45/342801845.db2.gz ZFQFYVBSKSHUKJ-UONOGXRCSA-N 2 1 233.359 2.131 20 0 BEADMP Cc1cc(N)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000335365119 398287096 /nfs/dbraw/zinc/28/70/96/398287096.db2.gz YIPJPUXLBHJZCZ-IUODEOHRSA-N 2 1 247.386 2.150 20 0 BEADMP CCC(CC)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000336743340 168390295 /nfs/dbraw/zinc/39/02/95/168390295.db2.gz TYKLMVXDZAEPSA-UHFFFAOYSA-N 2 1 241.404 2.483 20 0 BEADMP C1C[C@H]2C[C@H]([NH2+]C3CCSCC3)CC[N@H+]2C1 ZINC000106868995 398286224 /nfs/dbraw/zinc/28/62/24/398286224.db2.gz IRSLVGSOGWWFBB-OLZOCXBDSA-N 2 1 240.416 2.098 20 0 BEADMP CCC(CC)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000336660238 168391688 /nfs/dbraw/zinc/39/16/88/168391688.db2.gz RLUMYYKTWBAJQB-NSHDSACASA-N 2 1 200.370 2.493 20 0 BEADMP CCC(CC)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000336660238 168391690 /nfs/dbraw/zinc/39/16/90/168391690.db2.gz RLUMYYKTWBAJQB-NSHDSACASA-N 2 1 200.370 2.493 20 0 BEADMP C[N@@H+](C/C=C/c1ccccc1)C1CC[NH2+]CC1 ZINC000036300569 342809049 /nfs/dbraw/zinc/80/90/49/342809049.db2.gz PFMPDTRROMGAJB-VMPITWQZSA-N 2 1 230.355 2.384 20 0 BEADMP Cc1[nH+]cc(-c2ccc(CC[NH+](C)C)cc2)n1C ZINC000630053231 361922353 /nfs/dbraw/zinc/92/23/53/361922353.db2.gz QTXKGRWTNNOTOK-UHFFFAOYSA-N 2 1 243.354 2.500 20 0 BEADMP CCC[C@H](C)[NH2+][C@H](C)C[NH+](CC)CC ZINC000045689642 538992717 /nfs/dbraw/zinc/99/27/17/538992717.db2.gz YHERBNPYOVUDLK-NWDGAFQWSA-N 2 1 200.370 2.495 20 0 BEADMP C[N@@H+](CCC[NH3+])CCc1c(F)cccc1Cl ZINC000381996078 398294810 /nfs/dbraw/zinc/29/48/10/398294810.db2.gz XXQQRVALTQPEFJ-UHFFFAOYSA-N 2 1 244.741 2.302 20 0 BEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC2CCC2)C1 ZINC000350764160 398302193 /nfs/dbraw/zinc/30/21/93/398302193.db2.gz ONQLSOABYMRCKW-HNNXBMFYSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC000350764160 398302194 /nfs/dbraw/zinc/30/21/94/398302194.db2.gz ONQLSOABYMRCKW-HNNXBMFYSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC000350764160 398302195 /nfs/dbraw/zinc/30/21/95/398302195.db2.gz ONQLSOABYMRCKW-HNNXBMFYSA-N 2 1 236.403 2.450 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[NH2+]CCc1c[nH+]cn1C ZINC000401646942 342866988 /nfs/dbraw/zinc/86/69/88/342866988.db2.gz MGKUIXGXOJKUJY-OLZOCXBDSA-N 2 1 235.375 2.379 20 0 BEADMP CC(C)[N@@H+](CC1CC1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000232639024 342867972 /nfs/dbraw/zinc/86/79/72/342867972.db2.gz KLMGDXXPIXYCHO-JSGCOSHPSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000038812868 342894364 /nfs/dbraw/zinc/89/43/64/342894364.db2.gz MRPBFWSFSJAPRS-OCCSQVGLSA-N 2 1 218.344 2.246 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000038812868 342894365 /nfs/dbraw/zinc/89/43/65/342894365.db2.gz MRPBFWSFSJAPRS-OCCSQVGLSA-N 2 1 218.344 2.246 20 0 BEADMP C[NH+](C)CCC[NH2+]Cc1nccc2ccccc21 ZINC000134738261 342880838 /nfs/dbraw/zinc/88/08/38/342880838.db2.gz NXMPMLOQHSYZOW-UHFFFAOYSA-N 2 1 243.354 2.276 20 0 BEADMP C(C1CC1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000134871392 342910138 /nfs/dbraw/zinc/91/01/38/342910138.db2.gz CSKBTEYENJBTKP-ZFWWWQNUSA-N 2 1 234.387 2.345 20 0 BEADMP C(C1CC1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000134871392 342910140 /nfs/dbraw/zinc/91/01/40/342910140.db2.gz CSKBTEYENJBTKP-ZFWWWQNUSA-N 2 1 234.387 2.345 20 0 BEADMP C(C1CC1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000134871392 342910141 /nfs/dbraw/zinc/91/01/41/342910141.db2.gz CSKBTEYENJBTKP-ZFWWWQNUSA-N 2 1 234.387 2.345 20 0 BEADMP C([NH2+]C1CCCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000037408433 342930638 /nfs/dbraw/zinc/93/06/38/342930638.db2.gz ZZRXJFZFEGXNTH-LLVKDONJSA-N 2 1 208.349 2.003 20 0 BEADMP CC[C@@H](c1ccccc1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313350932 259333743 /nfs/dbraw/zinc/33/37/43/259333743.db2.gz LDLYUAKFCZJNSB-CABCVRRESA-N 2 1 248.370 2.187 20 0 BEADMP CC(C)[N@@H+](Cc1ccccc1)C[C@@H](C)[NH3+] ZINC000019386518 187206042 /nfs/dbraw/zinc/20/60/42/187206042.db2.gz HZJWXSRXDXATFA-GFCCVEGCSA-N 2 1 206.333 2.244 20 0 BEADMP CC(C)[N@H+](Cc1ccccc1)C[C@@H](C)[NH3+] ZINC000019386518 187206044 /nfs/dbraw/zinc/20/60/44/187206044.db2.gz HZJWXSRXDXATFA-GFCCVEGCSA-N 2 1 206.333 2.244 20 0 BEADMP C[C@H](CCc1ccco1)[NH2+]C1CC[NH+](C)CC1 ZINC000020144556 342971847 /nfs/dbraw/zinc/97/18/47/342971847.db2.gz FYUGFPVLXRLTFS-GFCCVEGCSA-N 2 1 236.359 2.285 20 0 BEADMP CCC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccccc1 ZINC000233358299 259336169 /nfs/dbraw/zinc/33/61/69/259336169.db2.gz LDDSMRPHYVXLDL-AAEUAGOBSA-N 2 1 206.333 2.465 20 0 BEADMP CC(C)[NH+]1CCC([NH2+]Cc2ccncc2)CC1 ZINC000020189008 342975850 /nfs/dbraw/zinc/97/58/50/342975850.db2.gz FVKHYHLVAGGABT-UHFFFAOYSA-N 2 1 233.359 2.044 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H](C)F)[C@H](C)C1 ZINC000351852907 136257475 /nfs/dbraw/zinc/25/74/75/136257475.db2.gz AZTGJKZVZIHOEC-AGIUHOORSA-N 2 1 230.371 2.397 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H](C)F)[C@H](C)C1 ZINC000351852907 136257476 /nfs/dbraw/zinc/25/74/76/136257476.db2.gz AZTGJKZVZIHOEC-AGIUHOORSA-N 2 1 230.371 2.397 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H](C)F)[C@H](C)C1 ZINC000351852907 136257477 /nfs/dbraw/zinc/25/74/77/136257477.db2.gz AZTGJKZVZIHOEC-AGIUHOORSA-N 2 1 230.371 2.397 20 0 BEADMP CC(C)C[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000355693238 187212824 /nfs/dbraw/zinc/21/28/24/187212824.db2.gz VBYXETRAMKOWCI-OLZOCXBDSA-N 2 1 212.381 2.305 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000351856985 136258337 /nfs/dbraw/zinc/25/83/37/136258337.db2.gz AHWCYIIWZQIXEX-NVBFEUDRSA-N 2 1 248.345 2.482 20 0 BEADMP CSC1(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)CCC1 ZINC000235244106 342999007 /nfs/dbraw/zinc/99/90/07/342999007.db2.gz GQFDOZJNPALASQ-LBPRGKRZSA-N 2 1 242.432 2.204 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000367625808 187229354 /nfs/dbraw/zinc/22/93/54/187229354.db2.gz ZAJPPFXMGKLSJP-IHRRRGAJSA-N 2 1 222.376 2.391 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000355107505 187233151 /nfs/dbraw/zinc/23/31/51/187233151.db2.gz NSPOKMZBCCOVFJ-FRRDWIJNSA-N 2 1 210.365 2.234 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000049329894 187233265 /nfs/dbraw/zinc/23/32/65/187233265.db2.gz WTBXHJRKGDOPJC-WCQYABFASA-N 2 1 221.348 2.360 20 0 BEADMP Cc1ccc2cc(C[N@@H+](C)CCC[NH3+])ccc2n1 ZINC000097862704 343155610 /nfs/dbraw/zinc/15/56/10/343155610.db2.gz KVUIGLVGANZOTF-UHFFFAOYSA-N 2 1 243.354 2.324 20 0 BEADMP CC[N@@H+]1CCC[C@@H]1C[NH2+]CCCC(C)C ZINC000165189880 343198710 /nfs/dbraw/zinc/19/87/10/343198710.db2.gz VKUISFFOLAKOKD-CYBMUJFWSA-N 2 1 212.381 2.497 20 0 BEADMP CC[N@H+]1CCC[C@@H]1C[NH2+]CCCC(C)C ZINC000165189880 343198712 /nfs/dbraw/zinc/19/87/12/343198712.db2.gz VKUISFFOLAKOKD-CYBMUJFWSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)C1CCC1 ZINC000322427087 259356483 /nfs/dbraw/zinc/35/64/83/259356483.db2.gz AVCLLHJBGMKESV-ZDUSSCGKSA-N 2 1 221.348 2.360 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(C)cc1C ZINC000087472106 136281483 /nfs/dbraw/zinc/28/14/83/136281483.db2.gz UCDXLEDUGPYRQC-UHFFFAOYSA-N 2 1 220.360 2.345 20 0 BEADMP C[NH2+]CCC[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000087472117 136281604 /nfs/dbraw/zinc/28/16/04/136281604.db2.gz QUGVNJWUPAVZMU-JTQLQIEISA-N 2 1 241.404 2.362 20 0 BEADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000087472117 136281605 /nfs/dbraw/zinc/28/16/05/136281605.db2.gz QUGVNJWUPAVZMU-JTQLQIEISA-N 2 1 241.404 2.362 20 0 BEADMP CCCc1csc(C[NH2+][C@H](C)C[C@H](C)[NH3+])n1 ZINC000569724090 323038892 /nfs/dbraw/zinc/03/88/92/323038892.db2.gz PRLMRUZAIKQJQH-VHSXEESVSA-N 2 1 241.404 2.311 20 0 BEADMP CCC[C@@H](C)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626586 343286456 /nfs/dbraw/zinc/28/64/56/343286456.db2.gz QWLXGMQOWMZGIR-CHWSQXEVSA-N 2 1 212.381 2.483 20 0 BEADMP CC(C)[N@@H+](CC[C@H]1CCC[NH2+]C1)CC1CC1 ZINC000051919310 343278966 /nfs/dbraw/zinc/27/89/66/343278966.db2.gz OVAHMZUHPHKYLW-CYBMUJFWSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000034996643 343282644 /nfs/dbraw/zinc/28/26/44/343282644.db2.gz NFRSHUWWJUZKOM-INIZCTEOSA-N 2 1 244.382 2.228 20 0 BEADMP CCCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000036907535 343327505 /nfs/dbraw/zinc/32/75/05/343327505.db2.gz YUXAOOKQNMXUKB-RWMBFGLXSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCOc1ccccc1 ZINC000052092377 343300514 /nfs/dbraw/zinc/30/05/14/343300514.db2.gz PNKMOBPFELNHOS-KGLIPLIRSA-N 2 1 248.370 2.267 20 0 BEADMP Cc1c[nH+]ccc1N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000335696677 136327321 /nfs/dbraw/zinc/32/73/21/136327321.db2.gz ULWMQIRZQQCQMP-GFCCVEGCSA-N 2 1 242.326 2.117 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000349157520 136327765 /nfs/dbraw/zinc/32/77/65/136327765.db2.gz YTPCJFVNDMXXMU-SNPRPXQTSA-N 2 1 236.403 2.306 20 0 BEADMP CC[N@@H+](C/C=C/c1ccncc1)CCC[NH+](C)C ZINC000349372529 136343671 /nfs/dbraw/zinc/34/36/71/136343671.db2.gz VHNTWIBPPBJPCL-FNORWQNLSA-N 2 1 247.386 2.368 20 0 BEADMP CC[N@H+](C/C=C/c1ccncc1)CCC[NH+](C)C ZINC000349372529 136343672 /nfs/dbraw/zinc/34/36/72/136343672.db2.gz VHNTWIBPPBJPCL-FNORWQNLSA-N 2 1 247.386 2.368 20 0 BEADMP CC(C)(C)[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000166299332 136332105 /nfs/dbraw/zinc/33/21/05/136332105.db2.gz HCTCUBLMJXWPCU-JSGCOSHPSA-N 2 1 224.392 2.354 20 0 BEADMP CC[C@@H](F)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000335703328 136334702 /nfs/dbraw/zinc/33/47/02/136334702.db2.gz PKQNPWYJOSQWBM-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP CC[C@@H](F)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000335703328 136334703 /nfs/dbraw/zinc/33/47/03/136334703.db2.gz PKQNPWYJOSQWBM-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP CC[C@@H](F)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000335703328 136334704 /nfs/dbraw/zinc/33/47/04/136334704.db2.gz PKQNPWYJOSQWBM-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP CC[C@@H](F)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000335703328 136334705 /nfs/dbraw/zinc/33/47/05/136334705.db2.gz PKQNPWYJOSQWBM-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[C@H](Cc1ccsc1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000570026335 323047584 /nfs/dbraw/zinc/04/75/84/323047584.db2.gz OYJKHEPFXTZCSW-DMDPSCGWSA-N 2 1 238.400 2.267 20 0 BEADMP C[C@H](Cc1ccsc1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000570026336 323047640 /nfs/dbraw/zinc/04/76/40/323047640.db2.gz OYJKHEPFXTZCSW-LOWVWBTDSA-N 2 1 238.400 2.267 20 0 BEADMP CC[N@H+]1CCC[C@@H]1CNc1cc(C)ccn1 ZINC000043561430 343477632 /nfs/dbraw/zinc/47/76/32/343477632.db2.gz DIYSCTZCPUOLDC-GFCCVEGCSA-N 2 1 219.332 2.286 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+]CC1CCCCC1 ZINC000060312922 343479111 /nfs/dbraw/zinc/47/91/11/343479111.db2.gz DDZATDUARAGZOT-UHFFFAOYSA-N 2 1 221.348 2.133 20 0 BEADMP Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CC[NH3+])c1 ZINC000084011170 343513876 /nfs/dbraw/zinc/51/38/76/343513876.db2.gz CKLDACUBLHMWRH-AWEZNQCLSA-N 2 1 218.344 2.399 20 0 BEADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2CC[NH3+])c1 ZINC000084011170 343513877 /nfs/dbraw/zinc/51/38/77/343513877.db2.gz CKLDACUBLHMWRH-AWEZNQCLSA-N 2 1 218.344 2.399 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+]Cc1cccs1 ZINC000083758683 343498354 /nfs/dbraw/zinc/49/83/54/343498354.db2.gz QHYDEAJRPGFAKN-SNVBAGLBSA-N 2 1 212.362 2.355 20 0 BEADMP CC[NH2+]CCC[NH2+][C@H](C)c1sccc1OC ZINC000570200157 323052647 /nfs/dbraw/zinc/05/26/47/323052647.db2.gz NSBDQCGHLZLVGZ-SNVBAGLBSA-N 2 1 242.388 2.407 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccccc1F ZINC000049329903 343596230 /nfs/dbraw/zinc/59/62/30/343596230.db2.gz ZEXZBNXZBDLMJH-UHFFFAOYSA-N 2 1 233.290 2.120 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC=CCC2)[C@@H](C)C1 ZINC000222092404 349818336 /nfs/dbraw/zinc/81/83/36/349818336.db2.gz PQEQXRXDTAPIBQ-MJBXVCDLSA-N 2 1 222.376 2.415 20 0 BEADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(F)c1 ZINC000049551755 343602129 /nfs/dbraw/zinc/60/21/29/343602129.db2.gz KZINFYHSPQITRG-LLVKDONJSA-N 2 1 224.323 2.256 20 0 BEADMP C[C@@H](CC1CCC1)[NH2+]CCc1c[nH+]cn1C ZINC000390556911 537797734 /nfs/dbraw/zinc/79/77/34/537797734.db2.gz QUZUNFDSBKZLCF-NSHDSACASA-N 2 1 221.348 2.131 20 0 BEADMP Cc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)c(F)c1 ZINC000631139616 343626969 /nfs/dbraw/zinc/62/69/69/343626969.db2.gz KFFUUPHFWPNORI-GFCCVEGCSA-N 2 1 238.350 2.421 20 0 BEADMP Cc1ncccc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000311073674 343629667 /nfs/dbraw/zinc/62/96/67/343629667.db2.gz MHEVNDIKBGQVKW-AWEZNQCLSA-N 2 1 247.386 2.210 20 0 BEADMP Cc1ncccc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000311073674 343629669 /nfs/dbraw/zinc/62/96/69/343629669.db2.gz MHEVNDIKBGQVKW-AWEZNQCLSA-N 2 1 247.386 2.210 20 0 BEADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000380002029 365793587 /nfs/dbraw/zinc/79/35/87/365793587.db2.gz YBRKQMWGPHSNTP-GFCCVEGCSA-N 2 1 244.423 2.103 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000087769957 343659940 /nfs/dbraw/zinc/65/99/40/343659940.db2.gz PTVZYJBTTRCRGL-LBPRGKRZSA-N 2 1 210.365 2.249 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2ccc(Cl)s2)CCC1 ZINC000088052232 343698947 /nfs/dbraw/zinc/69/89/47/343698947.db2.gz KTFSKJJRRRWZLX-UHFFFAOYSA-N 2 1 230.764 2.373 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348080110 537811296 /nfs/dbraw/zinc/81/12/96/537811296.db2.gz GRYAQURJFZSXFT-UONOGXRCSA-N 2 1 233.359 2.360 20 0 BEADMP Cc1ccsc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527837 343781331 /nfs/dbraw/zinc/78/13/31/343781331.db2.gz YCOGWWMYVPRJNH-LLVKDONJSA-N 2 1 224.373 2.227 20 0 BEADMP CC(C)[C@H]1CC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336665060 537817440 /nfs/dbraw/zinc/81/74/40/537817440.db2.gz LKBNVBQAPVKWGX-KGLIPLIRSA-N 2 1 222.376 2.273 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000336734938 537832271 /nfs/dbraw/zinc/83/22/71/537832271.db2.gz LHBJAYWVLGJJCL-UBHSHLNASA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000336734938 537832278 /nfs/dbraw/zinc/83/22/78/537832278.db2.gz LHBJAYWVLGJJCL-UBHSHLNASA-N 2 1 224.392 2.495 20 0 BEADMP CCC[N@H+](CC)CC[NH2+]CC1(C)CCC1 ZINC000336712261 537829659 /nfs/dbraw/zinc/82/96/59/537829659.db2.gz UXXOCSXZLPAKQX-UHFFFAOYSA-N 2 1 212.381 2.498 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+]CC1(C)CCC1 ZINC000336712261 537829664 /nfs/dbraw/zinc/82/96/64/537829664.db2.gz UXXOCSXZLPAKQX-UHFFFAOYSA-N 2 1 212.381 2.498 20 0 BEADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)ccn1 ZINC000621776703 343899398 /nfs/dbraw/zinc/89/93/98/343899398.db2.gz SZWUBVAASGCCRL-WHOFXGATSA-N 2 1 247.386 2.195 20 0 BEADMP CCC(CC)C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299893174 344117753 /nfs/dbraw/zinc/11/77/53/344117753.db2.gz IWGKJPCDVHERKT-QWHCGFSZSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000132241927 344289776 /nfs/dbraw/zinc/28/97/76/344289776.db2.gz RPTZXAJZMPXLAZ-AAEUAGOBSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1C[C@H](N)C[N@@H+]1CCCOCc1ccccc1 ZINC000385069946 344314023 /nfs/dbraw/zinc/31/40/23/344314023.db2.gz HLUONAXBUJHOGW-ZFWWWQNUSA-N 2 1 248.370 2.015 20 0 BEADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCCOCc1ccccc1 ZINC000385069946 344314029 /nfs/dbraw/zinc/31/40/29/344314029.db2.gz HLUONAXBUJHOGW-ZFWWWQNUSA-N 2 1 248.370 2.015 20 0 BEADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCCOCc1ccccc1 ZINC000385069946 344314032 /nfs/dbraw/zinc/31/40/32/344314032.db2.gz HLUONAXBUJHOGW-ZFWWWQNUSA-N 2 1 248.370 2.015 20 0 BEADMP CSc1ccc(C[N@@H+](C)CCC[NH3+])cc1 ZINC000133214516 344315326 /nfs/dbraw/zinc/31/53/26/344315326.db2.gz HQKFHBHSZPIUBZ-UHFFFAOYSA-N 2 1 224.373 2.189 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000387729681 347046832 /nfs/dbraw/zinc/04/68/32/347046832.db2.gz RSAZZNODOKKJFZ-NDBYEHHHSA-N 2 1 210.365 2.105 20 0 BEADMP c1cc2[nH+]ccc(N[C@H]3CCC[NH2+]CC3)c2s1 ZINC000634813619 344399227 /nfs/dbraw/zinc/39/92/27/344399227.db2.gz ROUZZQZBKGMHFK-JTQLQIEISA-N 2 1 247.367 2.272 20 0 BEADMP CCC1CCC([N@@H+](C)CCC[NH2+]C)CC1 ZINC000042516778 344456540 /nfs/dbraw/zinc/45/65/40/344456540.db2.gz OWRSOGZHORFLLQ-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)C(C)C ZINC000049330423 344614177 /nfs/dbraw/zinc/61/41/77/344614177.db2.gz KDSJDWWPYCSJJG-LBPRGKRZSA-N 2 1 209.337 2.216 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000049538806 344651705 /nfs/dbraw/zinc/65/17/05/344651705.db2.gz UIFOANBBALSIHK-OIBJUYFYSA-N 2 1 227.377 2.148 20 0 BEADMP C[NH2+]CCC[N@H+](C)[C@@H](C)c1cccs1 ZINC000049728260 344685653 /nfs/dbraw/zinc/68/56/53/344685653.db2.gz FGQVGMONAMCFNS-JTQLQIEISA-N 2 1 212.362 2.350 20 0 BEADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1cccs1 ZINC000049728260 344685655 /nfs/dbraw/zinc/68/56/55/344685655.db2.gz FGQVGMONAMCFNS-JTQLQIEISA-N 2 1 212.362 2.350 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCCC(C)(F)F)CC[N@H+]1C ZINC000390110261 259380494 /nfs/dbraw/zinc/38/04/94/259380494.db2.gz WNOJMMRJKPLLIH-GHMZBOCLSA-N 2 1 234.334 2.494 20 0 BEADMP CCOCCC[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076003215 344790509 /nfs/dbraw/zinc/79/05/09/344790509.db2.gz YALRRALSVALMAG-AWEZNQCLSA-N 2 1 242.407 2.077 20 0 BEADMP CC(C)C[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037485329 187293379 /nfs/dbraw/zinc/29/33/79/187293379.db2.gz LVIOGPRFNAMSPW-CHWSQXEVSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)[C@@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000319025526 259382359 /nfs/dbraw/zinc/38/23/59/259382359.db2.gz ROVLZXVBHGAUGM-CYBMUJFWSA-N 2 1 235.375 2.195 20 0 BEADMP CC(C)[C@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000319044189 259382459 /nfs/dbraw/zinc/38/24/59/259382459.db2.gz USANLOIWUVGKLJ-NWDGAFQWSA-N 2 1 212.381 2.399 20 0 BEADMP CO[C@@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)C ZINC000154907470 345056381 /nfs/dbraw/zinc/05/63/81/345056381.db2.gz QPQOCXBSLAJZDJ-AGIUHOORSA-N 2 1 242.407 2.120 20 0 BEADMP CCN(CCC[NH+](C)C)c1cc(C)cc[nH+]1 ZINC000425259701 192086101 /nfs/dbraw/zinc/08/61/01/192086101.db2.gz VPIIBXLOCXXVKR-UHFFFAOYSA-N 2 1 221.348 2.168 20 0 BEADMP C[C@H]1CC2(CCC2)C[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634995189 345183795 /nfs/dbraw/zinc/18/37/95/345183795.db2.gz XVZWEWWRTCMDKL-DCBWTQNWSA-N 2 1 220.360 2.003 20 0 BEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000635024325 345224533 /nfs/dbraw/zinc/22/45/33/345224533.db2.gz WLOHBQLNPJQIOG-KBPBESRZSA-N 2 1 241.338 2.204 20 0 BEADMP C[C@H](CC[NH2+]CC1(F)CC1)[NH+]1CCCCC1 ZINC000381287915 345245022 /nfs/dbraw/zinc/24/50/22/345245022.db2.gz ZZGGJXJZENHCPZ-GFCCVEGCSA-N 2 1 228.355 2.343 20 0 BEADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227058200 345246542 /nfs/dbraw/zinc/24/65/42/345246542.db2.gz LGODTSYLCZHEQN-FZMZJTMJSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227058200 345246543 /nfs/dbraw/zinc/24/65/43/345246543.db2.gz LGODTSYLCZHEQN-FZMZJTMJSA-N 2 1 236.334 2.303 20 0 BEADMP C[C@@H]1C[N@@H+](C/C=C\c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000634998758 345199569 /nfs/dbraw/zinc/19/95/69/345199569.db2.gz KORNVFXDYKFDHQ-BTBCPRSTSA-N 2 1 248.345 2.366 20 0 BEADMP Cc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1F ZINC000634998869 345199749 /nfs/dbraw/zinc/19/97/49/345199749.db2.gz LZPQSPUSFSCADX-WCQYABFASA-N 2 1 236.334 2.161 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000634999610 345199920 /nfs/dbraw/zinc/19/99/20/345199920.db2.gz WZILUUWDDZNTQK-BVUBDWEXSA-N 2 1 244.382 2.317 20 0 BEADMP C[C@H](Cc1ccccc1)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999614 345199971 /nfs/dbraw/zinc/19/99/71/345199971.db2.gz WZXDXGJGOXAFRM-FMKPAKJESA-N 2 1 246.398 2.392 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999665 345200716 /nfs/dbraw/zinc/20/07/16/345200716.db2.gz XOCUEKZOXISMEW-DGCLKSJQSA-N 2 1 236.334 2.161 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(C)(F)CC1 ZINC000635002117 345204262 /nfs/dbraw/zinc/20/42/62/345204262.db2.gz MGCVQUHSDDRWIN-LLVKDONJSA-N 2 1 216.344 2.184 20 0 BEADMP C[N@H+]1CCC[C@@H]2CN(C/C=C/Cl)CC[C@@H]21 ZINC000158866720 345385223 /nfs/dbraw/zinc/38/52/23/345385223.db2.gz XRNXTWPJMRBORC-ZBWCZXCSSA-N 2 1 228.767 2.155 20 0 BEADMP C[N@@H+]1CCC[C@@H]2C[NH+](C/C=C/Cl)CC[C@@H]21 ZINC000158866720 345385225 /nfs/dbraw/zinc/38/52/25/345385225.db2.gz XRNXTWPJMRBORC-ZBWCZXCSSA-N 2 1 228.767 2.155 20 0 BEADMP C[N@H+]1CCC[C@@H]2C[NH+](C/C=C/Cl)CC[C@@H]21 ZINC000158866720 345385227 /nfs/dbraw/zinc/38/52/27/345385227.db2.gz XRNXTWPJMRBORC-ZBWCZXCSSA-N 2 1 228.767 2.155 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@H+](C/C=C/Cl)CC[C@@H]21 ZINC000158866720 345385228 /nfs/dbraw/zinc/38/52/28/345385228.db2.gz XRNXTWPJMRBORC-ZBWCZXCSSA-N 2 1 228.767 2.155 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C/C=C/Cl)CC[C@@H]21 ZINC000158866720 345385229 /nfs/dbraw/zinc/38/52/29/345385229.db2.gz XRNXTWPJMRBORC-ZBWCZXCSSA-N 2 1 228.767 2.155 20 0 BEADMP CCOC(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159307366 345422105 /nfs/dbraw/zinc/42/21/05/345422105.db2.gz RMQKLACBZCGNJY-CHWSQXEVSA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccccc1 ZINC000058058259 192088238 /nfs/dbraw/zinc/08/82/38/192088238.db2.gz HGULBZJMCQKVRU-CQSZACIVSA-N 2 1 220.360 2.492 20 0 BEADMP C[NH+](C)[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)C1CC1 ZINC000378801421 345575496 /nfs/dbraw/zinc/57/54/96/345575496.db2.gz ULJYWBSNIIWPBA-CRWXNKLISA-N 2 1 222.376 2.105 20 0 BEADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CC1 ZINC000378801422 345576189 /nfs/dbraw/zinc/57/61/89/345576189.db2.gz ULJYWBSNIIWPBA-DGAVXFQQSA-N 2 1 222.376 2.105 20 0 BEADMP C(C[N@H+]1CCC[C@H]2CCC[C@H]21)[C@H]1CC[NH2+]C1 ZINC000251294655 187359845 /nfs/dbraw/zinc/35/98/45/187359845.db2.gz OAUDKEJYPNAFMB-MGPQQGTHSA-N 2 1 222.376 2.251 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CC23CCCC3)CC1 ZINC000335917591 345850842 /nfs/dbraw/zinc/85/08/42/345850842.db2.gz JCCWHFKSZUBMLH-CYBMUJFWSA-N 2 1 222.376 2.393 20 0 BEADMP C(C[N@H+]1CC[C@@H]2CCCC[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000400889408 345866719 /nfs/dbraw/zinc/86/67/19/345866719.db2.gz ZSOBJHPJYOMJRE-RDBSUJKOSA-N 2 1 222.376 2.251 20 0 BEADMP CC1(C)SC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000309815619 187311065 /nfs/dbraw/zinc/31/10/65/187311065.db2.gz VFHHABUJJJNSRB-SRVKXCTJSA-N 2 1 240.416 2.097 20 0 BEADMP CC[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000181132593 345929330 /nfs/dbraw/zinc/92/93/30/345929330.db2.gz DDKNNRVTFYQVCL-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP CO[C@@H](CC(C)C)C[NH+]1CCC([NH+](C)C)CC1 ZINC000419196280 192101965 /nfs/dbraw/zinc/10/19/65/192101965.db2.gz ZFCIYAWNVWRXKC-AWEZNQCLSA-N 2 1 242.407 2.074 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000031994558 179081679 /nfs/dbraw/zinc/08/16/79/179081679.db2.gz FYRIYXLPXCYYNJ-HNNXBMFYSA-N 2 1 230.355 2.180 20 0 BEADMP Cc1cccc(C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000011888321 179076098 /nfs/dbraw/zinc/07/60/98/179076098.db2.gz CBHXHESECXQGEL-CQSZACIVSA-N 2 1 218.344 2.166 20 0 BEADMP CCC(F)(F)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000641798169 362743407 /nfs/dbraw/zinc/74/34/07/362743407.db2.gz IFEQMKPWFWPSFI-NWDGAFQWSA-N 2 1 246.345 2.353 20 0 BEADMP CCC(F)(F)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000641798169 362743409 /nfs/dbraw/zinc/74/34/09/362743409.db2.gz IFEQMKPWFWPSFI-NWDGAFQWSA-N 2 1 246.345 2.353 20 0 BEADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccc(N)c2)[C@@H]1C ZINC000641808874 362762362 /nfs/dbraw/zinc/76/23/62/362762362.db2.gz ONGKITOQIXEZCF-JMSVASOKSA-N 2 1 247.386 2.217 20 0 BEADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccc(N)c2)[C@@H]1C ZINC000641808874 362762368 /nfs/dbraw/zinc/76/23/68/362762368.db2.gz ONGKITOQIXEZCF-JMSVASOKSA-N 2 1 247.386 2.217 20 0 BEADMP COc1ccc(C)cc1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641805080 362762582 /nfs/dbraw/zinc/76/25/82/362762582.db2.gz MNMLIPZWKYBFQX-UONOGXRCSA-N 2 1 248.370 2.219 20 0 BEADMP C[C@H]1CCC(C)(C)[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000641801053 362752882 /nfs/dbraw/zinc/75/28/82/362752882.db2.gz LYCMVCPFFJSVAM-NWDGAFQWSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1CCC(C)(C)[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000641801054 362753553 /nfs/dbraw/zinc/75/35/53/362753553.db2.gz LYCMVCPFFJSVAM-RYUDHWBXSA-N 2 1 210.365 2.249 20 0 BEADMP Cc1ccncc1CCC[N@H+]1CCC[C@]1(C)CO ZINC000580060657 346501507 /nfs/dbraw/zinc/50/15/07/346501507.db2.gz VLMWDXODROLERW-OAHLLOKOSA-N 2 1 248.370 2.169 20 0 BEADMP Cc1cccc(N(C)CC2CC[NH+](C)CC2)[nH+]1 ZINC000157405044 179115273 /nfs/dbraw/zinc/11/52/73/179115273.db2.gz DLDUOVHDRIRHJC-UHFFFAOYSA-N 2 1 233.359 2.168 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000300415316 346670833 /nfs/dbraw/zinc/67/08/33/346670833.db2.gz SXECNNROCKQDSX-YIYPIFLZSA-N 2 1 242.407 2.262 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000300415316 346670834 /nfs/dbraw/zinc/67/08/34/346670834.db2.gz SXECNNROCKQDSX-YIYPIFLZSA-N 2 1 242.407 2.262 20 0 BEADMP Cc1cccc(N[C@H](C)[C@@H]2CCC[NH2+]C2)[nH+]1 ZINC000050164107 179156687 /nfs/dbraw/zinc/15/66/87/179156687.db2.gz FNYJIYIZMGROFY-VXGBXAGGSA-N 2 1 219.332 2.190 20 0 BEADMP Cc1cccc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)[nH+]1 ZINC000050164105 179153173 /nfs/dbraw/zinc/15/31/73/179153173.db2.gz FNYJIYIZMGROFY-NWDGAFQWSA-N 2 1 219.332 2.190 20 0 BEADMP Cc1cccc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)n1 ZINC000163889278 179154743 /nfs/dbraw/zinc/15/47/43/179154743.db2.gz CSKMJCNNNPVYLP-NWDGAFQWSA-N 2 1 231.343 2.427 20 0 BEADMP Cc1cccc(OCC[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000228202289 179166685 /nfs/dbraw/zinc/16/66/85/179166685.db2.gz IWDJZXHEHHTUFB-UONOGXRCSA-N 2 1 248.370 2.043 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CCC23CCC3)CC1 ZINC000309649366 347130005 /nfs/dbraw/zinc/13/00/05/347130005.db2.gz NMZRSAVSIJSRFA-ZDUSSCGKSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC(C)(C)O2)CC[N@H+]1C ZINC000160329993 347253019 /nfs/dbraw/zinc/25/30/19/347253019.db2.gz LNRMPFLVNKRSEH-UPJWGTAASA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC(C)(C)O2)CC[N@H+]1C ZINC000160330247 347257698 /nfs/dbraw/zinc/25/76/98/347257698.db2.gz LNRMPFLVNKRSEH-AGIUHOORSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000020200921 347423082 /nfs/dbraw/zinc/42/30/82/347423082.db2.gz NBIHCCSZXUWTQJ-CHWSQXEVSA-N 2 1 212.381 2.495 20 0 BEADMP Cc1ccccc1CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359283911 179261394 /nfs/dbraw/zinc/26/13/94/179261394.db2.gz KIXOKSVNFQJGJF-IYBDPMFKSA-N 2 1 244.382 2.079 20 0 BEADMP Cc1ccccc1C[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000042435967 179268725 /nfs/dbraw/zinc/26/87/25/179268725.db2.gz UMRYCONIHINLCH-CQSZACIVSA-N 2 1 218.344 2.164 20 0 BEADMP Cc1ccccc1C[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000042435967 179268726 /nfs/dbraw/zinc/26/87/26/179268726.db2.gz UMRYCONIHINLCH-CQSZACIVSA-N 2 1 218.344 2.164 20 0 BEADMP Cc1ccccc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000228074013 179276990 /nfs/dbraw/zinc/27/69/90/179276990.db2.gz UHUWXBOGCHTLEN-OLZOCXBDSA-N 2 1 218.344 2.164 20 0 BEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1(C)CC1 ZINC000577329430 365925807 /nfs/dbraw/zinc/92/58/07/365925807.db2.gz POYDDCLYDMHFMO-OLZOCXBDSA-N 2 1 222.376 2.345 20 0 BEADMP CS[C@@H]1CC[C@H]1[NH2+]CCC[N@@H+](C)CC(C)C ZINC000593647108 347926155 /nfs/dbraw/zinc/92/61/55/347926155.db2.gz WJJXMMPBUDBPJV-CHWSQXEVSA-N 2 1 244.448 2.448 20 0 BEADMP CC[C@H](C)[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000319604598 259399292 /nfs/dbraw/zinc/39/92/92/259399292.db2.gz WPSLGINHQLTJHZ-SRVKXCTJSA-N 2 1 200.370 2.384 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CSCCF)C1 ZINC000595010209 348159613 /nfs/dbraw/zinc/15/96/13/348159613.db2.gz IZPGPNKGEUGIND-NEPJUHHUSA-N 2 1 248.411 2.009 20 0 BEADMP CCSC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000595100234 348195182 /nfs/dbraw/zinc/19/51/82/348195182.db2.gz QDCHLMZEFHPJME-NEPJUHHUSA-N 2 1 242.432 2.344 20 0 BEADMP C[C@@H](c1cccnc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253176865 348229248 /nfs/dbraw/zinc/22/92/48/348229248.db2.gz ALZILMHMUQIRFN-MBNYWOFBSA-N 2 1 233.359 2.059 20 0 BEADMP Cc1cccnc1C[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000093465851 179383271 /nfs/dbraw/zinc/38/32/71/179383271.db2.gz MPTSALZKXHNMFI-QWHCGFSZSA-N 2 1 233.359 2.010 20 0 BEADMP CC[C@@H](C[NH2+]CC1(C)CC1)[NH+]1CCCC1 ZINC000309096773 349984944 /nfs/dbraw/zinc/98/49/44/349984944.db2.gz FDNNQGMGGJZSGS-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@@H](C)[C@H]1C ZINC000419375006 192129637 /nfs/dbraw/zinc/12/96/37/192129637.db2.gz QVWBSRITSSQMFN-RFGFWPKPSA-N 2 1 224.392 2.447 20 0 BEADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)[C@@H](C)[C@H]1C ZINC000419375006 192129638 /nfs/dbraw/zinc/12/96/38/192129638.db2.gz QVWBSRITSSQMFN-RFGFWPKPSA-N 2 1 224.392 2.447 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C2CCC1CC2 ZINC000535765312 323190610 /nfs/dbraw/zinc/19/06/10/323190610.db2.gz IYYPTGLTPDQGPT-PNESKVBLSA-N 2 1 208.349 2.098 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2(C)CCC2)C1 ZINC000432829412 192372879 /nfs/dbraw/zinc/37/28/79/192372879.db2.gz PUZAPBOQYQFKAD-LBPRGKRZSA-N 2 1 210.365 2.060 20 0 BEADMP C[C@H]1CC([NH2+]C2CC[NH+](C)CC2)C[C@H](C)C1 ZINC000082829741 348820968 /nfs/dbraw/zinc/82/09/68/348820968.db2.gz QRTSFKYXOJNPDP-VXGBXAGGSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)C[C@@H]1C ZINC000082836297 348825569 /nfs/dbraw/zinc/82/55/69/348825569.db2.gz JZPRVROTLFLZSG-MBNYWOFBSA-N 2 1 224.392 2.495 20 0 BEADMP COc1ccc(C)cc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000251152538 349183283 /nfs/dbraw/zinc/18/32/83/349183283.db2.gz IYMXFLWAFJIWBC-OCCSQVGLSA-N 2 1 248.370 2.315 20 0 BEADMP COc1ccc(C)cc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000251152538 349183286 /nfs/dbraw/zinc/18/32/86/349183286.db2.gz IYMXFLWAFJIWBC-OCCSQVGLSA-N 2 1 248.370 2.315 20 0 BEADMP CC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000421873251 192398109 /nfs/dbraw/zinc/39/81/09/192398109.db2.gz HHIUTPUKYSLNGT-FQUUOJAGSA-N 2 1 224.392 2.495 20 0 BEADMP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000252685975 349210151 /nfs/dbraw/zinc/21/01/51/349210151.db2.gz IYTBJFSIMGWWNY-TZMCWYRMSA-N 2 1 248.370 2.397 20 0 BEADMP C[C@H]([NH2+]CCc1ccsc1)[C@H]1CCCC[NH2+]1 ZINC000386540228 349273706 /nfs/dbraw/zinc/27/37/06/349273706.db2.gz DAIIILLHDMGJCD-WCQYABFASA-N 2 1 238.400 2.411 20 0 BEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336675098 538045769 /nfs/dbraw/zinc/04/57/69/538045769.db2.gz PFUNSVUHENBLLX-CRWXNKLISA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336675098 538045774 /nfs/dbraw/zinc/04/57/74/538045774.db2.gz PFUNSVUHENBLLX-CRWXNKLISA-N 2 1 224.392 2.493 20 0 BEADMP C[C@@H](c1ccncc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000603939455 350057130 /nfs/dbraw/zinc/05/71/30/350057130.db2.gz MDFBZUHXMQTVKY-QWHCGFSZSA-N 2 1 233.359 2.026 20 0 BEADMP C[C@@H](c1ccncc1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000603939455 350057134 /nfs/dbraw/zinc/05/71/34/350057134.db2.gz MDFBZUHXMQTVKY-QWHCGFSZSA-N 2 1 233.359 2.026 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304585685 350157705 /nfs/dbraw/zinc/15/77/05/350157705.db2.gz OSHFETMEHCKCDC-XJFOESAGSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)C[N@H+](CC[NH3+])Cc1ccccc1 ZINC000032011648 350175490 /nfs/dbraw/zinc/17/54/90/350175490.db2.gz VEYLXGLFNXLEDQ-UHFFFAOYSA-N 2 1 206.333 2.103 20 0 BEADMP CC(C)C[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000032011648 350175494 /nfs/dbraw/zinc/17/54/94/350175494.db2.gz VEYLXGLFNXLEDQ-UHFFFAOYSA-N 2 1 206.333 2.103 20 0 BEADMP Cc1ncc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000226927431 180143679 /nfs/dbraw/zinc/14/36/79/180143679.db2.gz VDEYMECBMHROLS-GXSJLCMTSA-N 2 1 239.388 2.011 20 0 BEADMP Cc1ncc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000226927431 180143683 /nfs/dbraw/zinc/14/36/83/180143683.db2.gz VDEYMECBMHROLS-GXSJLCMTSA-N 2 1 239.388 2.011 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C(C)C)C1 ZINC000151105468 191059226 /nfs/dbraw/zinc/05/92/26/191059226.db2.gz NMLVNUJEHIOCNI-QWHCGFSZSA-N 2 1 212.381 2.352 20 0 BEADMP CCC(CC)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000154175057 191075001 /nfs/dbraw/zinc/07/50/01/191075001.db2.gz DXBIIQRZHASUKU-YPMHNXCESA-N 2 1 212.381 2.495 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C/C=C/Cl ZINC000130383711 180235653 /nfs/dbraw/zinc/23/56/53/180235653.db2.gz ZVAFORNUIBQFRS-HWKANZROSA-N 2 1 227.739 2.266 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)C/C=C/Cl ZINC000130383711 180235655 /nfs/dbraw/zinc/23/56/55/180235655.db2.gz ZVAFORNUIBQFRS-HWKANZROSA-N 2 1 227.739 2.266 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCCF ZINC000285767503 180237298 /nfs/dbraw/zinc/23/72/98/180237298.db2.gz WOBDASJZZBHTCI-UHFFFAOYSA-N 2 1 227.327 2.263 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCCF ZINC000285767503 180237300 /nfs/dbraw/zinc/23/73/00/180237300.db2.gz WOBDASJZZBHTCI-UHFFFAOYSA-N 2 1 227.327 2.263 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@H](C)C1 ZINC000309796637 180246334 /nfs/dbraw/zinc/24/63/34/180246334.db2.gz QICDQAUXGZIYBF-WCQYABFASA-N 2 1 221.348 2.360 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)CC(C)(C)C ZINC000336653924 180247475 /nfs/dbraw/zinc/24/74/75/180247475.db2.gz ZIDHJEWBJYVCFP-UHFFFAOYSA-N 2 1 209.337 2.169 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)CC(C)(C)C ZINC000336653924 180247477 /nfs/dbraw/zinc/24/74/77/180247477.db2.gz ZIDHJEWBJYVCFP-UHFFFAOYSA-N 2 1 209.337 2.169 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)C(C)C ZINC000270871606 180251840 /nfs/dbraw/zinc/25/18/40/180251840.db2.gz UFDOOECEMBXKKV-NSHDSACASA-N 2 1 209.337 2.168 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)C(C)C ZINC000270871606 180251843 /nfs/dbraw/zinc/25/18/43/180251843.db2.gz UFDOOECEMBXKKV-NSHDSACASA-N 2 1 209.337 2.168 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cccs1 ZINC000270827128 180252225 /nfs/dbraw/zinc/25/22/25/180252225.db2.gz KUQGGGDTADEDBU-UHFFFAOYSA-N 2 1 235.356 2.385 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1cccs1 ZINC000270827128 180252226 /nfs/dbraw/zinc/25/22/26/180252226.db2.gz KUQGGGDTADEDBU-UHFFFAOYSA-N 2 1 235.356 2.385 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)C(C)C ZINC000309019494 180244083 /nfs/dbraw/zinc/24/40/83/180244083.db2.gz WEFCQDQYBSIPJM-NSHDSACASA-N 2 1 209.337 2.216 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)C1CCC1 ZINC000336743671 180244674 /nfs/dbraw/zinc/24/46/74/180244674.db2.gz PKKROZRVQQRZMB-NSHDSACASA-N 2 1 221.348 2.360 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCc2occc21 ZINC000278869381 180261492 /nfs/dbraw/zinc/26/14/92/180261492.db2.gz WXAGXNQFHLLAFN-ZDUSSCGKSA-N 2 1 245.326 2.452 20 0 BEADMP Cc1nccn1CC[C@H]1CCCC[N@@H+]1C ZINC000230201920 180261970 /nfs/dbraw/zinc/26/19/70/180261970.db2.gz IBBOSNNDVUJHOG-GFCCVEGCSA-N 2 1 207.321 2.066 20 0 BEADMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1C ZINC000230201920 180261972 /nfs/dbraw/zinc/26/19/72/180261972.db2.gz IBBOSNNDVUJHOG-GFCCVEGCSA-N 2 1 207.321 2.066 20 0 BEADMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1C ZINC000230201920 180261974 /nfs/dbraw/zinc/26/19/74/180261974.db2.gz IBBOSNNDVUJHOG-GFCCVEGCSA-N 2 1 207.321 2.066 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H]1C[C@H]1C ZINC000309801518 180266545 /nfs/dbraw/zinc/26/65/45/180266545.db2.gz WNPIOTVZOKXSPD-WZRBSPASSA-N 2 1 221.348 2.073 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000324871788 350314121 /nfs/dbraw/zinc/31/41/21/350314121.db2.gz CBWGYTNFYJMDGI-SWLSCSKDSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1ncsc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000082666943 180313821 /nfs/dbraw/zinc/31/38/21/180313821.db2.gz UCIZVVPXNQNPAG-LLVKDONJSA-N 2 1 239.388 2.025 20 0 BEADMP Cc1ncsc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000082666943 180313825 /nfs/dbraw/zinc/31/38/25/180313825.db2.gz UCIZVVPXNQNPAG-LLVKDONJSA-N 2 1 239.388 2.025 20 0 BEADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)ccn1 ZINC000623537089 362955400 /nfs/dbraw/zinc/95/54/00/362955400.db2.gz MQUPXYDKTIQJRL-CQSZACIVSA-N 2 1 247.386 2.352 20 0 BEADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)ccn1 ZINC000623537089 362955404 /nfs/dbraw/zinc/95/54/04/362955404.db2.gz MQUPXYDKTIQJRL-CQSZACIVSA-N 2 1 247.386 2.352 20 0 BEADMP Cc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)nc(C)[nH+]1 ZINC000040623729 350390654 /nfs/dbraw/zinc/39/06/54/350390654.db2.gz YTBGRXJUJQUEBH-CYBMUJFWSA-N 2 1 248.374 2.236 20 0 BEADMP Cc1cc(NC[C@H]2CC[N@H+](C(C)C)C2)nc(C)[nH+]1 ZINC000040623729 350390657 /nfs/dbraw/zinc/39/06/57/350390657.db2.gz YTBGRXJUJQUEBH-CYBMUJFWSA-N 2 1 248.374 2.236 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCOC2(C)C)CC1(C)C ZINC000623537453 362956175 /nfs/dbraw/zinc/95/61/75/362956175.db2.gz YKSCGTVDUBYYDO-RYUDHWBXSA-N 2 1 240.391 2.016 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000226873704 350461124 /nfs/dbraw/zinc/46/11/24/350461124.db2.gz MMYZMMWCQQINKD-OCCSQVGLSA-N 2 1 218.344 2.307 20 0 BEADMP C[C@@H]([NH3+])C[N@@H+](C)CCCCc1ccccc1 ZINC000163003978 350492767 /nfs/dbraw/zinc/49/27/67/350492767.db2.gz DJBBHONKRBKHED-CYBMUJFWSA-N 2 1 220.360 2.288 20 0 BEADMP C[C@H]([NH3+])C[N@@H+](C)CCCCc1ccccc1 ZINC000163003870 350492856 /nfs/dbraw/zinc/49/28/56/350492856.db2.gz DJBBHONKRBKHED-ZDUSSCGKSA-N 2 1 220.360 2.288 20 0 BEADMP C[C@@H]1CC[N@@H+](CCC[NH3+])[C@H]2CCCC[C@H]12 ZINC000577481863 365964030 /nfs/dbraw/zinc/96/40/30/365964030.db2.gz GGONNHQUKJXBBT-UPJWGTAASA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623548233 362968018 /nfs/dbraw/zinc/96/80/18/362968018.db2.gz QSWKJPBUBXGNGY-XQQFMLRXSA-N 2 1 240.391 2.016 20 0 BEADMP COCC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623548951 362969495 /nfs/dbraw/zinc/96/94/95/362969495.db2.gz KAYCSAXXVSPELE-QWHCGFSZSA-N 2 1 242.407 2.121 20 0 BEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2occc2C)C1 ZINC000337879136 350635009 /nfs/dbraw/zinc/63/50/09/350635009.db2.gz QHIMJNKLKLRHOC-CYBMUJFWSA-N 2 1 236.359 2.410 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2occc2C)C1 ZINC000337879136 350635012 /nfs/dbraw/zinc/63/50/12/350635012.db2.gz QHIMJNKLKLRHOC-CYBMUJFWSA-N 2 1 236.359 2.410 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccsc1 ZINC000063153015 351263456 /nfs/dbraw/zinc/26/34/56/351263456.db2.gz XJRXGAMYMXMLGZ-KOLCDFICSA-N 2 1 210.346 2.060 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccsc1 ZINC000063153015 351263458 /nfs/dbraw/zinc/26/34/58/351263458.db2.gz XJRXGAMYMXMLGZ-KOLCDFICSA-N 2 1 210.346 2.060 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CC2(C)C)CC1 ZINC000336723839 351348946 /nfs/dbraw/zinc/34/89/46/351348946.db2.gz AXKINCDIUIDXES-YPMHNXCESA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC1 ZINC000252715905 538100753 /nfs/dbraw/zinc/10/07/53/538100753.db2.gz XAYYSTZSAJEYPP-UBHSHLNASA-N 2 1 222.376 2.391 20 0 BEADMP CCC[C@H](C[N@@H+](C)CC1CC[NH+](C)CC1)OC ZINC000638028269 351907569 /nfs/dbraw/zinc/90/75/69/351907569.db2.gz DPOSXMAZAKSWBV-CQSZACIVSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@]2(C)CCCO2)CC1 ZINC000340179486 351979935 /nfs/dbraw/zinc/97/99/35/351979935.db2.gz DDQUNQSANYZQBC-JSGCOSHPSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCC[C@@H]1C ZINC000152422756 191152768 /nfs/dbraw/zinc/15/27/68/191152768.db2.gz NHGWEDVGQUDFHS-STQMWFEESA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCC[C@@H]1C ZINC000152422756 191152771 /nfs/dbraw/zinc/15/27/71/191152771.db2.gz NHGWEDVGQUDFHS-STQMWFEESA-N 2 1 212.381 2.497 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638338541 352158993 /nfs/dbraw/zinc/15/89/93/352158993.db2.gz YLOONSFNSUHQRQ-YIYPIFLZSA-N 2 1 224.392 2.352 20 0 BEADMP CC(C)C1(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000638360606 352171838 /nfs/dbraw/zinc/17/18/38/352171838.db2.gz XEHCNWKAHXIJHS-CYBMUJFWSA-N 2 1 236.403 2.497 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]CC2CCSCC2)C1 ZINC000638382173 352193774 /nfs/dbraw/zinc/19/37/74/352193774.db2.gz SSDRGVCLVUUSPD-CYBMUJFWSA-N 2 1 242.432 2.061 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CC2(F)F)C1 ZINC000638408354 352213792 /nfs/dbraw/zinc/21/37/92/352213792.db2.gz AHEYAVYEWULFAT-UTUOFQBUSA-N 2 1 246.345 2.352 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CS[C@H](C)C2)C1 ZINC000638409119 352219077 /nfs/dbraw/zinc/21/90/77/352219077.db2.gz JIAWTVFEPBANFB-JHJVBQTASA-N 2 1 242.432 2.202 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+]CC1CCSCC1 ZINC000638502313 352322905 /nfs/dbraw/zinc/32/29/05/352322905.db2.gz AJUYFWPTLNFIEZ-GFCCVEGCSA-N 2 1 244.448 2.450 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]CC1CCSCC1 ZINC000638502313 352322908 /nfs/dbraw/zinc/32/29/08/352322908.db2.gz AJUYFWPTLNFIEZ-GFCCVEGCSA-N 2 1 244.448 2.450 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638503138 352323885 /nfs/dbraw/zinc/32/38/85/352323885.db2.gz FVPPTACNACMNLI-FQUUOJAGSA-N 2 1 224.392 2.352 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638503138 352323888 /nfs/dbraw/zinc/32/38/88/352323888.db2.gz FVPPTACNACMNLI-FQUUOJAGSA-N 2 1 224.392 2.352 20 0 BEADMP CC(C)[C@@H]1CC[C@H]([NH2+][C@@H](C)C[NH3+])C[C@@H]1C ZINC000414947032 352370537 /nfs/dbraw/zinc/37/05/37/352370537.db2.gz UFYACWJNKTUNLX-CYDGBPFRSA-N 2 1 212.381 2.384 20 0 BEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2C)[C@H](C)C1 ZINC000607956979 352468413 /nfs/dbraw/zinc/46/84/13/352468413.db2.gz CGHGZJKJCROMMM-IUODEOHRSA-N 2 1 247.386 2.210 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2C)[C@H](C)C1 ZINC000607956979 352468415 /nfs/dbraw/zinc/46/84/15/352468415.db2.gz CGHGZJKJCROMMM-IUODEOHRSA-N 2 1 247.386 2.210 20 0 BEADMP Cc1cnc(C[NH2+]CCCCn2cc[nH+]c2C)o1 ZINC000638675238 352514431 /nfs/dbraw/zinc/51/44/31/352514431.db2.gz RCXLXSZDCHUMNJ-UHFFFAOYSA-N 2 1 248.330 2.058 20 0 BEADMP C[N@H+](Cc1ccsc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746513 352603918 /nfs/dbraw/zinc/60/39/18/352603918.db2.gz WMTUETAGTVESRL-FUNVUKJBSA-N 2 1 236.384 2.463 20 0 BEADMP C[N@@H+](Cc1ccsc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746513 352603920 /nfs/dbraw/zinc/60/39/20/352603920.db2.gz WMTUETAGTVESRL-FUNVUKJBSA-N 2 1 236.384 2.463 20 0 BEADMP C[C@@H](Cc1ccsc1)[NH2+]C1CC[NH+](C)CC1 ZINC000049154169 352607690 /nfs/dbraw/zinc/60/76/90/352607690.db2.gz TULBINHMCZJLBU-NSHDSACASA-N 2 1 238.400 2.363 20 0 BEADMP COC1([C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)CCC1 ZINC000412026406 191240213 /nfs/dbraw/zinc/24/02/13/191240213.db2.gz SFFFXFRNNJKUTF-QWHCGFSZSA-N 2 1 240.391 2.018 20 0 BEADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334217506 352817590 /nfs/dbraw/zinc/81/75/90/352817590.db2.gz HGCXOSIFIKYVRS-KGLIPLIRSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@@H](C)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334217506 352817594 /nfs/dbraw/zinc/81/75/94/352817594.db2.gz HGCXOSIFIKYVRS-KGLIPLIRSA-N 2 1 224.392 2.450 20 0 BEADMP Cc1sccc1C[N@@H+]1CCN2CCC1CC2 ZINC000334205476 352799966 /nfs/dbraw/zinc/79/99/66/352799966.db2.gz UPWHPCZROFRPEH-UHFFFAOYSA-N 2 1 236.384 2.337 20 0 BEADMP CC(C)C[C@@H](C)C[NH2+]C1CC[NH+](C)CC1 ZINC000300874167 188000988 /nfs/dbraw/zinc/00/09/88/188000988.db2.gz HZEOIOWONWBTEY-GFCCVEGCSA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000300831790 188001721 /nfs/dbraw/zinc/00/17/21/188001721.db2.gz CCWIQMWOKXTLTP-YNEHKIRRSA-N 2 1 212.381 2.338 20 0 BEADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000307709603 353100436 /nfs/dbraw/zinc/10/04/36/353100436.db2.gz MYPLLKGTMMBZEU-GFCCVEGCSA-N 2 1 240.297 2.103 20 0 BEADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000307709603 353100439 /nfs/dbraw/zinc/10/04/39/353100439.db2.gz MYPLLKGTMMBZEU-GFCCVEGCSA-N 2 1 240.297 2.103 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000271835759 188026087 /nfs/dbraw/zinc/02/60/87/188026087.db2.gz SUGKJBIGCPSSRZ-NSHDSACASA-N 2 1 245.326 2.248 20 0 BEADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1C ZINC000050597693 188046110 /nfs/dbraw/zinc/04/61/10/188046110.db2.gz KPEGFRJHASSHGD-AWEZNQCLSA-N 2 1 248.370 2.174 20 0 BEADMP C[N@@H+]1CCCC12CC[NH+](C1CCCC1)CC2 ZINC000336444510 188056357 /nfs/dbraw/zinc/05/63/57/188056357.db2.gz JPSCMQFUTDQPHP-UHFFFAOYSA-N 2 1 222.376 2.489 20 0 BEADMP C[N@H+]1CCCC12CC[NH+](C1CCCC1)CC2 ZINC000336444510 188056359 /nfs/dbraw/zinc/05/63/59/188056359.db2.gz JPSCMQFUTDQPHP-UHFFFAOYSA-N 2 1 222.376 2.489 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+]CC2(SC)CC2)C1 ZINC000336768648 353281330 /nfs/dbraw/zinc/28/13/30/353281330.db2.gz RDVAMBYRMFCXIC-LBPRGKRZSA-N 2 1 242.432 2.204 20 0 BEADMP C(C1CCCCC1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000031994527 188233379 /nfs/dbraw/zinc/23/33/79/188233379.db2.gz CMDIFNVECSBZAR-AWEZNQCLSA-N 2 1 222.376 2.252 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000353578854 188235145 /nfs/dbraw/zinc/23/51/45/188235145.db2.gz TUDYZPCAZPMTJP-MGPQQGTHSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000353578854 188235147 /nfs/dbraw/zinc/23/51/47/188235147.db2.gz TUDYZPCAZPMTJP-MGPQQGTHSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000251361054 188258666 /nfs/dbraw/zinc/25/86/66/188258666.db2.gz DHVUDBOQQPPAHM-CHWSQXEVSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)[C@H]1C ZINC000252219724 353299354 /nfs/dbraw/zinc/29/93/54/353299354.db2.gz YRTHNYBSOKWNCL-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H]1C[N@H+](Cc2ccccc2F)CC[C@@H]1[NH3+] ZINC000134104452 538114897 /nfs/dbraw/zinc/11/48/97/538114897.db2.gz NBENLCVWIPWRFC-FZMZJTMJSA-N 2 1 236.334 2.385 20 0 BEADMP CC[C@H]1C[N@@H+](Cc2ccccc2F)CC[C@@H]1[NH3+] ZINC000134104452 538114898 /nfs/dbraw/zinc/11/48/98/538114898.db2.gz NBENLCVWIPWRFC-FZMZJTMJSA-N 2 1 236.334 2.385 20 0 BEADMP C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000306073397 188328937 /nfs/dbraw/zinc/32/89/37/188328937.db2.gz DNFJOCUWIWKGKC-JARUQAPTSA-N 2 1 234.387 2.391 20 0 BEADMP CC[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000126429309 188330281 /nfs/dbraw/zinc/33/02/81/188330281.db2.gz ZAZTVIGDKVRMDN-LLVKDONJSA-N 2 1 244.342 2.464 20 0 BEADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000227167742 188330973 /nfs/dbraw/zinc/33/09/73/188330973.db2.gz OKPGHPGGXNNHFU-RDBSUJKOSA-N 2 1 222.376 2.251 20 0 BEADMP CC[N@@H+]1CCC[C@H](CNc2cc(C)[nH+]c(C)n2)C1 ZINC000132038963 353374697 /nfs/dbraw/zinc/37/46/97/353374697.db2.gz HUQNEANPRLXOAB-CYBMUJFWSA-N 2 1 248.374 2.237 20 0 BEADMP CC[N@H+]1CCC[C@H](CNc2cc(C)[nH+]c(C)n2)C1 ZINC000132038963 353374699 /nfs/dbraw/zinc/37/46/99/353374699.db2.gz HUQNEANPRLXOAB-CYBMUJFWSA-N 2 1 248.374 2.237 20 0 BEADMP CCC[C@@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)OC ZINC000639106238 353613253 /nfs/dbraw/zinc/61/32/53/353613253.db2.gz XLRLXKYMIRCJJE-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000639165369 354015833 /nfs/dbraw/zinc/01/58/33/354015833.db2.gz GWLDAEFBNRMVBU-KBPBESRZSA-N 2 1 240.391 2.020 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000639165369 354015837 /nfs/dbraw/zinc/01/58/37/354015837.db2.gz GWLDAEFBNRMVBU-KBPBESRZSA-N 2 1 240.391 2.020 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000343921884 354043263 /nfs/dbraw/zinc/04/32/63/354043263.db2.gz FJISVXVKFYOBQT-HZSPNIEDSA-N 2 1 242.407 2.121 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000343921884 354043264 /nfs/dbraw/zinc/04/32/64/354043264.db2.gz FJISVXVKFYOBQT-HZSPNIEDSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CC2(F)F)C1 ZINC000639170767 354125497 /nfs/dbraw/zinc/12/54/97/354125497.db2.gz XOMWPJIQSGXCFW-TUAOUCFPSA-N 2 1 246.345 2.350 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2CC2(F)F)C1 ZINC000639170766 354125850 /nfs/dbraw/zinc/12/58/50/354125850.db2.gz XOMWPJIQSGXCFW-SRVKXCTJSA-N 2 1 246.345 2.350 20 0 BEADMP CCC[C@H](C)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231463821 363344355 /nfs/dbraw/zinc/34/43/55/363344355.db2.gz KPBLXDDUQMBHBY-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@@H](C)[C@H](C[N@@H+](CC)CCC[NH+](C)C)OC ZINC000639175024 354190785 /nfs/dbraw/zinc/19/07/85/354190785.db2.gz GNOBGTUDKUDURI-KGLIPLIRSA-N 2 1 244.423 2.321 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)[C@H](C)C1 ZINC000449742832 202017492 /nfs/dbraw/zinc/01/74/92/202017492.db2.gz RMVGRGVCRSRSRX-UNQGMJICSA-N 2 1 236.403 2.352 20 0 BEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000449743390 202017885 /nfs/dbraw/zinc/01/78/85/202017885.db2.gz XFZJFYVDUMPKFH-AJNGGQMLSA-N 2 1 234.387 2.249 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@](C)(CC)OC ZINC000639176218 354220252 /nfs/dbraw/zinc/22/02/52/354220252.db2.gz ZGYWLVPZTHJBPR-CQSZACIVSA-N 2 1 244.423 2.465 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639180383 354276677 /nfs/dbraw/zinc/27/66/77/354276677.db2.gz WONIIDRBCLWGMQ-UXXRCYHCSA-N 2 1 236.403 2.305 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639180383 354276680 /nfs/dbraw/zinc/27/66/80/354276680.db2.gz WONIIDRBCLWGMQ-UXXRCYHCSA-N 2 1 236.403 2.305 20 0 BEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639180383 354276682 /nfs/dbraw/zinc/27/66/82/354276682.db2.gz WONIIDRBCLWGMQ-UXXRCYHCSA-N 2 1 236.403 2.305 20 0 BEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639180383 354276685 /nfs/dbraw/zinc/27/66/85/354276685.db2.gz WONIIDRBCLWGMQ-UXXRCYHCSA-N 2 1 236.403 2.305 20 0 BEADMP CCc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc[nH+]1 ZINC000334650440 354443251 /nfs/dbraw/zinc/44/32/51/354443251.db2.gz GLRRMWLGUQLKRC-HIFRSBDPSA-N 2 1 245.370 2.317 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C2CC3(CCC3)C2)CC[N@@H+]1C ZINC000334727831 354528204 /nfs/dbraw/zinc/52/82/04/354528204.db2.gz NVAJRCBTDJOTHN-RYUDHWBXSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C2CC3(CCC3)C2)CC[N@H+]1C ZINC000334727831 354528209 /nfs/dbraw/zinc/52/82/09/354528209.db2.gz NVAJRCBTDJOTHN-RYUDHWBXSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@H]1CCCCC[N@H+]1CCc1cncn1C ZINC000335145404 354854471 /nfs/dbraw/zinc/85/44/71/354854471.db2.gz CNRTZMSOIKPGLP-LBPRGKRZSA-N 2 1 221.348 2.227 20 0 BEADMP Cc1ccccc1CCC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000346079144 354859967 /nfs/dbraw/zinc/85/99/67/354859967.db2.gz CQOVEWRXLGWUNH-OAHLLOKOSA-N 2 1 232.371 2.351 20 0 BEADMP Cc1ccccc1CCC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000346079144 354859971 /nfs/dbraw/zinc/85/99/71/354859971.db2.gz CQOVEWRXLGWUNH-OAHLLOKOSA-N 2 1 232.371 2.351 20 0 BEADMP CC[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000233923324 363410350 /nfs/dbraw/zinc/41/03/50/363410350.db2.gz RWNYEXCVPFQXRV-YNEHKIRRSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000346034012 354862646 /nfs/dbraw/zinc/86/26/46/354862646.db2.gz DQZGZHSCMXTHEQ-HIFRSBDPSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000346034012 354862648 /nfs/dbraw/zinc/86/26/48/354862648.db2.gz DQZGZHSCMXTHEQ-HIFRSBDPSA-N 2 1 232.371 2.288 20 0 BEADMP C1CCC2(C1)CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000335174985 354942457 /nfs/dbraw/zinc/94/24/57/354942457.db2.gz ASJOCCZKVKIZGM-STQMWFEESA-N 2 1 222.376 2.441 20 0 BEADMP C1CC2(CCCC2)[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000335177544 354947658 /nfs/dbraw/zinc/94/76/58/354947658.db2.gz IRNSGHPRAMGQNC-NWDGAFQWSA-N 2 1 208.349 2.051 20 0 BEADMP CCO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000449754986 202022144 /nfs/dbraw/zinc/02/21/44/202022144.db2.gz LJCXXWMBOGTJDJ-ZIAGYGMSSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1nccn1CC[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000335192920 355025769 /nfs/dbraw/zinc/02/57/69/355025769.db2.gz SJVBAESZIKAYOQ-NSHDSACASA-N 2 1 221.348 2.312 20 0 BEADMP CC[C@@H](C[N@@H+]1CC[C@@H](N)C1)c1ccccc1 ZINC000346690661 355075367 /nfs/dbraw/zinc/07/53/67/355075367.db2.gz URQNGHPBTVFSIZ-GXTWGEPZSA-N 2 1 218.344 2.213 20 0 BEADMP CC[C@@H](C[N@H+]1CC[C@@H](N)C1)c1ccccc1 ZINC000346690661 355075370 /nfs/dbraw/zinc/07/53/70/355075370.db2.gz URQNGHPBTVFSIZ-GXTWGEPZSA-N 2 1 218.344 2.213 20 0 BEADMP CC[C@@H](C[N@@H+]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000346690661 355075372 /nfs/dbraw/zinc/07/53/72/355075372.db2.gz URQNGHPBTVFSIZ-GXTWGEPZSA-N 2 1 218.344 2.213 20 0 BEADMP CC[C@@H](C[N@H+]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000346690661 355075375 /nfs/dbraw/zinc/07/53/75/355075375.db2.gz URQNGHPBTVFSIZ-GXTWGEPZSA-N 2 1 218.344 2.213 20 0 BEADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccs1 ZINC000335217870 355056305 /nfs/dbraw/zinc/05/63/05/355056305.db2.gz MDHNVSLRAMQJGP-RYUDHWBXSA-N 2 1 224.373 2.498 20 0 BEADMP CC(C)([NH3+])C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000346848848 355137690 /nfs/dbraw/zinc/13/76/90/355137690.db2.gz OHYXVMRIIMSYMF-AWEZNQCLSA-N 2 1 232.371 2.288 20 0 BEADMP Fc1cccc(C2([NH2+]C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000346972366 355208154 /nfs/dbraw/zinc/20/81/54/355208154.db2.gz HEZVYSCSACMAHV-GFCCVEGCSA-N 2 1 248.345 2.404 20 0 BEADMP CC[C@]1(C)CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346977892 355211791 /nfs/dbraw/zinc/21/17/91/355211791.db2.gz NECZOWBPQOIPNF-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@H](C)F)C1 ZINC000352003346 134034892 /nfs/dbraw/zinc/03/48/92/134034892.db2.gz LLXTYQZFSNGIHB-RYUDHWBXSA-N 2 1 216.344 2.008 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC[C@H](C)F)C1 ZINC000352003346 134034893 /nfs/dbraw/zinc/03/48/93/134034893.db2.gz LLXTYQZFSNGIHB-RYUDHWBXSA-N 2 1 216.344 2.008 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC000352003346 134034894 /nfs/dbraw/zinc/03/48/94/134034894.db2.gz LLXTYQZFSNGIHB-RYUDHWBXSA-N 2 1 216.344 2.008 20 0 BEADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000346989550 355189270 /nfs/dbraw/zinc/18/92/70/355189270.db2.gz RTLYOWSUIVNMQK-OLZOCXBDSA-N 2 1 224.392 2.354 20 0 BEADMP CC(C)([NH3+])C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000346999352 355196971 /nfs/dbraw/zinc/19/69/71/355196971.db2.gz GAUQKWRAUZWZJE-ZDUSSCGKSA-N 2 1 240.391 2.147 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000113511974 355247873 /nfs/dbraw/zinc/24/78/73/355247873.db2.gz IZBBBJXBUZTRNQ-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP C[N@@H+](CCCC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000639245038 355232875 /nfs/dbraw/zinc/23/28/75/355232875.db2.gz SLQCBLQVKJCMNU-BTTYYORXSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@@H](C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1)OC ZINC000412975992 191345912 /nfs/dbraw/zinc/34/59/12/191345912.db2.gz HGJZYKGIVSIXKD-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP CC[C@H](C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1)OC ZINC000412975346 191347055 /nfs/dbraw/zinc/34/70/55/191347055.db2.gz FQWNLYLJSXVHRP-HZSPNIEDSA-N 2 1 242.407 2.216 20 0 BEADMP CC[C@H](C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)OC ZINC000412975346 191347056 /nfs/dbraw/zinc/34/70/56/191347056.db2.gz FQWNLYLJSXVHRP-HZSPNIEDSA-N 2 1 242.407 2.216 20 0 BEADMP C[C@H]1C[C@@H]([NH+](C)CCCCF)CC[N@@H+]1C ZINC000352015364 134035856 /nfs/dbraw/zinc/03/58/56/134035856.db2.gz PXRCXDWTAZDZSS-RYUDHWBXSA-N 2 1 216.344 2.151 20 0 BEADMP C[C@H]1C[C@@H]([NH+](C)CCCCF)CC[N@H+]1C ZINC000352015364 134035857 /nfs/dbraw/zinc/03/58/57/134035857.db2.gz PXRCXDWTAZDZSS-RYUDHWBXSA-N 2 1 216.344 2.151 20 0 BEADMP C[C@H]1C[C@@H]([N@H+](C)CCCCF)CC[NH+]1C ZINC000352015364 134035858 /nfs/dbraw/zinc/03/58/58/134035858.db2.gz PXRCXDWTAZDZSS-RYUDHWBXSA-N 2 1 216.344 2.151 20 0 BEADMP C[C@H]1C[C@@H]([N@@H+](C)CCCCF)CC[NH+]1C ZINC000352015364 134035859 /nfs/dbraw/zinc/03/58/59/134035859.db2.gz PXRCXDWTAZDZSS-RYUDHWBXSA-N 2 1 216.344 2.151 20 0 BEADMP CC[C@@](C)(C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)OC ZINC000639258127 355305055 /nfs/dbraw/zinc/30/50/55/355305055.db2.gz ZWRVMHPHBFYMFM-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP CO[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000216365028 355358332 /nfs/dbraw/zinc/35/83/32/355358332.db2.gz KVAQJPABYDRHAN-BFHYXJOUSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]1CC2(C[N@H+]1CC1(C)CC1)CC[NH2+]CC2 ZINC000583559179 355609962 /nfs/dbraw/zinc/60/99/62/355609962.db2.gz JAWZETUXQNMVBU-LBPRGKRZSA-N 2 1 222.376 2.251 20 0 BEADMP Cc1ccc(CC[N@H+](C)CC2CN(C)C2)cc1 ZINC000639309350 355665444 /nfs/dbraw/zinc/66/54/44/355665444.db2.gz MDVJFZNEBRREGF-UHFFFAOYSA-N 2 1 232.371 2.031 20 0 BEADMP CCOc1cccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000215955892 355619271 /nfs/dbraw/zinc/61/92/71/355619271.db2.gz FQZNAAUGYWLEPT-JSGCOSHPSA-N 2 1 248.370 2.254 20 0 BEADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccc1F ZINC000215959969 355620676 /nfs/dbraw/zinc/62/06/76/355620676.db2.gz VVVJAAIQBYLOBH-WCQYABFASA-N 2 1 236.334 2.303 20 0 BEADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3C=CCCC3)C2)C1 ZINC000335887760 355679929 /nfs/dbraw/zinc/67/99/29/355679929.db2.gz CFBLXFVFIGLAGK-KGLIPLIRSA-N 2 1 220.360 2.123 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3C=CCCC3)C2)C1 ZINC000335887760 355679931 /nfs/dbraw/zinc/67/99/31/355679931.db2.gz CFBLXFVFIGLAGK-KGLIPLIRSA-N 2 1 220.360 2.123 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3C=CCCC3)C2)C1 ZINC000335887760 355679932 /nfs/dbraw/zinc/67/99/32/355679932.db2.gz CFBLXFVFIGLAGK-KGLIPLIRSA-N 2 1 220.360 2.123 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CS1 ZINC000639346598 355793540 /nfs/dbraw/zinc/79/35/40/355793540.db2.gz HMKUZJWSOYHEFS-AGIUHOORSA-N 2 1 242.432 2.202 20 0 BEADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000216029051 355797960 /nfs/dbraw/zinc/79/79/60/355797960.db2.gz WGAVVGBFHSRTLX-JSGCOSHPSA-N 2 1 248.370 2.254 20 0 BEADMP Cn1cccc1[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000336053439 134060899 /nfs/dbraw/zinc/06/08/99/134060899.db2.gz XUKMLNIARFJXER-OAHLLOKOSA-N 2 1 247.386 2.162 20 0 BEADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccncc2)C1 ZINC000608577962 355866209 /nfs/dbraw/zinc/86/62/09/355866209.db2.gz OPBDUYHDSDXDAT-ZIAGYGMSSA-N 2 1 247.386 2.416 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccncc2)C1 ZINC000608577962 355866210 /nfs/dbraw/zinc/86/62/10/355866210.db2.gz OPBDUYHDSDXDAT-ZIAGYGMSSA-N 2 1 247.386 2.416 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2ccncc2)C1 ZINC000608577962 355866211 /nfs/dbraw/zinc/86/62/11/355866211.db2.gz OPBDUYHDSDXDAT-ZIAGYGMSSA-N 2 1 247.386 2.416 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2ccncc2)C1 ZINC000608577962 355866212 /nfs/dbraw/zinc/86/62/12/355866212.db2.gz OPBDUYHDSDXDAT-ZIAGYGMSSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000351471954 355996641 /nfs/dbraw/zinc/99/66/41/355996641.db2.gz NIIQRMBMUPKVHS-MBNYWOFBSA-N 2 1 232.327 2.191 20 0 BEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1C[C@@H]1C ZINC000351232408 355965631 /nfs/dbraw/zinc/96/56/31/355965631.db2.gz XWSUUNCHDFJHKY-DGAVXFQQSA-N 2 1 222.376 2.201 20 0 BEADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@@H](C)C(C)C ZINC000420295764 192204216 /nfs/dbraw/zinc/20/42/16/192204216.db2.gz CQJMFDHACRFTMD-QWHCGFSZSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000420297419 192204602 /nfs/dbraw/zinc/20/46/02/192204602.db2.gz DIIBBELAXOBEGU-DZGCQCFKSA-N 2 1 232.371 2.431 20 0 BEADMP C[C@@H](c1cccc(O)c1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420296023 192204922 /nfs/dbraw/zinc/20/49/22/192204922.db2.gz CVTSRNJMUXOYCM-QWHCGFSZSA-N 2 1 248.370 2.385 20 0 BEADMP CCC[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420297079 192205581 /nfs/dbraw/zinc/20/55/81/192205581.db2.gz FINZSZGNUHZINE-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP CC(C)C[N@H+](Cc1ccccc1)C[C@@H](C)[NH3+] ZINC000420296876 192205962 /nfs/dbraw/zinc/20/59/62/192205962.db2.gz CILFCLXPBYHNJA-CYBMUJFWSA-N 2 1 220.360 2.492 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000420281781 192199778 /nfs/dbraw/zinc/19/97/78/192199778.db2.gz AJWSCCZZTMMPFP-MJBXVCDLSA-N 2 1 240.391 2.005 20 0 BEADMP [NH3+]CC[C@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000420321216 192200520 /nfs/dbraw/zinc/20/05/20/192200520.db2.gz ZSZYPPZYGPUWIU-KGLIPLIRSA-N 2 1 240.391 2.006 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCCc2ccncc2)C1 ZINC000420292677 192202572 /nfs/dbraw/zinc/20/25/72/192202572.db2.gz PVJXNQJUOOGUTD-HIFRSBDPSA-N 2 1 247.386 2.073 20 0 BEADMP [NH3+]CCC[N@@H+](CCCF)CC1CCCC1 ZINC000420316338 192213454 /nfs/dbraw/zinc/21/34/54/192213454.db2.gz NKUITXHZDADBOJ-UHFFFAOYSA-N 2 1 216.344 2.187 20 0 BEADMP CCCCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331968 192213824 /nfs/dbraw/zinc/21/38/24/192213824.db2.gz CJEJVYJODXASAW-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP CO[C@@H](C)C[N@@H+](CC[C@H]1CCC[NH2+]C1)C(C)C ZINC000420307609 192208238 /nfs/dbraw/zinc/20/82/38/192208238.db2.gz RNVPFAFZGIYJSK-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP CCc1cccc(C[NH2+]CC2([NH3+])CCC2)c1 ZINC000420304423 192208354 /nfs/dbraw/zinc/20/83/54/192208354.db2.gz IVTUGGSHVZTNOS-UHFFFAOYSA-N 2 1 218.344 2.220 20 0 BEADMP CC(C)[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCS1 ZINC000420314103 192212141 /nfs/dbraw/zinc/21/21/41/192212141.db2.gz YSVUWFCXCCTVGV-OLZOCXBDSA-N 2 1 242.432 2.059 20 0 BEADMP CC[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)C1CC1 ZINC000420326241 192230112 /nfs/dbraw/zinc/23/01/12/192230112.db2.gz XAMRXKFARCAMPQ-CYBMUJFWSA-N 2 1 248.370 2.222 20 0 BEADMP c1cncc([C@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000420354796 192219072 /nfs/dbraw/zinc/21/90/72/192219072.db2.gz DKELWUYPNHISHL-UKRRQHHQSA-N 2 1 245.370 2.218 20 0 BEADMP c1cc([C@@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)ccn1 ZINC000420363488 192223749 /nfs/dbraw/zinc/22/37/49/192223749.db2.gz PHBXAVVNPDHRNG-HIFRSBDPSA-N 2 1 245.370 2.218 20 0 BEADMP C[NH2+]CCC[N@H+](C)CCO[C@@H]1CCCC[C@@H]1C ZINC000420392566 192236583 /nfs/dbraw/zinc/23/65/83/192236583.db2.gz VLMNTWPRQDWADX-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP C[NH2+]CCC[N@@H+](C)CCO[C@@H]1CCCC[C@@H]1C ZINC000420392566 192236586 /nfs/dbraw/zinc/23/65/86/192236586.db2.gz VLMNTWPRQDWADX-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CC[C@H]([NH2+]CCC[NH3+])c1cc(F)ccc1F ZINC000420402619 192238464 /nfs/dbraw/zinc/23/84/64/192238464.db2.gz KBVNJFOJXLRGNQ-LBPRGKRZSA-N 2 1 228.286 2.354 20 0 BEADMP CCCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420409529 192239201 /nfs/dbraw/zinc/23/92/01/192239201.db2.gz XFHIXICTTJSTMH-CHWSQXEVSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000420410158 192239636 /nfs/dbraw/zinc/23/96/36/192239636.db2.gz RDDWRYMFLLYILQ-KCQAQPDRSA-N 2 1 248.370 2.091 20 0 BEADMP CCCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420409530 192239686 /nfs/dbraw/zinc/23/96/86/192239686.db2.gz XFHIXICTTJSTMH-OLZOCXBDSA-N 2 1 210.365 2.251 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000580381480 356440686 /nfs/dbraw/zinc/44/06/86/356440686.db2.gz GNERMXYMNQSQPH-MCIONIFRSA-N 2 1 242.407 2.121 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000580381480 356440690 /nfs/dbraw/zinc/44/06/90/356440690.db2.gz GNERMXYMNQSQPH-MCIONIFRSA-N 2 1 242.407 2.121 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000580381479 356440714 /nfs/dbraw/zinc/44/07/14/356440714.db2.gz GNERMXYMNQSQPH-HZSPNIEDSA-N 2 1 242.407 2.121 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000580381479 356440716 /nfs/dbraw/zinc/44/07/16/356440716.db2.gz GNERMXYMNQSQPH-HZSPNIEDSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@H]1CC[N@@H+](Cc2cccs2)C[C@@H]1C[NH3+] ZINC000167598974 134118862 /nfs/dbraw/zinc/11/88/62/134118862.db2.gz GOSSCKJLDSKVQF-QWRGUYRKSA-N 2 1 224.373 2.165 20 0 BEADMP CCCCOCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000249613228 535313362 /nfs/dbraw/zinc/31/33/62/535313362.db2.gz IFZFBRCSFFJZCR-MGPQQGTHSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[C@@H](C)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000223496045 535326722 /nfs/dbraw/zinc/32/67/22/535326722.db2.gz QMZLCKLSOMTUCN-OLZOCXBDSA-N 2 1 212.381 2.354 20 0 BEADMP CCCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757342 356663577 /nfs/dbraw/zinc/66/35/77/356663577.db2.gz GPAUTVZCWYJMRG-UHFFFAOYSA-N 2 1 210.365 2.204 20 0 BEADMP CCCc1nc(C)c(C[NH2+][C@H](C)C[C@@H](C)[NH3+])o1 ZINC000423138539 192582891 /nfs/dbraw/zinc/58/28/91/192582891.db2.gz XVWTYCXIGLYZBD-NXEZZACHSA-N 2 1 239.363 2.151 20 0 BEADMP CCc1cc(NCCCn2cc[nH+]c2C)cc[nH+]1 ZINC000450349309 202137163 /nfs/dbraw/zinc/13/71/63/202137163.db2.gz NYKXWFUYOMBDSL-UHFFFAOYSA-N 2 1 244.342 2.073 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000353078044 134160591 /nfs/dbraw/zinc/16/05/91/134160591.db2.gz GNUJFZFGEHELEI-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000353078044 134160592 /nfs/dbraw/zinc/16/05/92/134160592.db2.gz GNUJFZFGEHELEI-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000450408141 202156524 /nfs/dbraw/zinc/15/65/24/202156524.db2.gz VFBVJJBRAKYHHP-NWDGAFQWSA-N 2 1 246.345 2.305 20 0 BEADMP CCC[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000086573169 538557318 /nfs/dbraw/zinc/55/73/18/538557318.db2.gz OIPJRQXRQWZXIN-YHWZYXNKSA-N 2 1 210.365 2.249 20 0 BEADMP CCC[NH+](C)[C@H](C)CC[N@H+](C)CCC ZINC000153331336 538568363 /nfs/dbraw/zinc/56/83/63/538568363.db2.gz CLEUYPOQRBDAEB-GFCCVEGCSA-N 2 1 200.370 2.449 20 0 BEADMP CCC[NH+](C)CC[C@@H](C)[N@H+](C)CCC ZINC000153331336 538568367 /nfs/dbraw/zinc/56/83/67/538568367.db2.gz CLEUYPOQRBDAEB-GFCCVEGCSA-N 2 1 200.370 2.449 20 0 BEADMP CCC[NH+](C)CC[C@@H](C)[N@@H+](C)CCC ZINC000153331336 538568377 /nfs/dbraw/zinc/56/83/77/538568377.db2.gz CLEUYPOQRBDAEB-GFCCVEGCSA-N 2 1 200.370 2.449 20 0 BEADMP CCC(=O)CCC[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000450467074 202174093 /nfs/dbraw/zinc/17/40/93/202174093.db2.gz KHULMFFBGCUZJR-STQMWFEESA-N 2 1 240.391 2.160 20 0 BEADMP CCC(=O)CCC[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000450467072 202174310 /nfs/dbraw/zinc/17/43/10/202174310.db2.gz KHULMFFBGCUZJR-OLZOCXBDSA-N 2 1 240.391 2.160 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623360544 356804708 /nfs/dbraw/zinc/80/47/08/356804708.db2.gz NTHZAPBZPHSYNW-CQSZACIVSA-N 2 1 247.386 2.352 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623360544 356804709 /nfs/dbraw/zinc/80/47/09/356804709.db2.gz NTHZAPBZPHSYNW-CQSZACIVSA-N 2 1 247.386 2.352 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)Cc2ccncc2)CC1 ZINC000360244704 356903761 /nfs/dbraw/zinc/90/37/61/356903761.db2.gz FOONGIMSINFONG-CYBMUJFWSA-N 2 1 247.386 2.087 20 0 BEADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623375494 356894721 /nfs/dbraw/zinc/89/47/21/356894721.db2.gz PZFTWUNHJZWXSK-WCQYABFASA-N 2 1 224.392 2.495 20 0 BEADMP CCc1nc(C)c([C@@H](C)[NH2+]CCC[NH2+]C)s1 ZINC000423198122 192623280 /nfs/dbraw/zinc/62/32/80/192623280.db2.gz DFXHBZIVNFKTCU-SECBINFHSA-N 2 1 241.404 2.274 20 0 BEADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cccnc1 ZINC000019942943 356993563 /nfs/dbraw/zinc/99/35/63/356993563.db2.gz GWEQWLYHEPJOJP-ZDUSSCGKSA-N 2 1 235.375 2.464 20 0 BEADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@H]1CCO[C@H]1C ZINC000639865032 356955857 /nfs/dbraw/zinc/95/58/57/356955857.db2.gz NJJSVIFUMLGPKQ-QWHCGFSZSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@H]1CCO[C@H]1C ZINC000639865032 356955858 /nfs/dbraw/zinc/95/58/58/356955858.db2.gz NJJSVIFUMLGPKQ-QWHCGFSZSA-N 2 1 242.407 2.121 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC(C)(C)C2)C1 ZINC000389864298 357057317 /nfs/dbraw/zinc/05/73/17/357057317.db2.gz FYJHWSZXYPGKHP-LLVKDONJSA-N 2 1 210.365 2.106 20 0 BEADMP CC[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000122048036 357162416 /nfs/dbraw/zinc/16/24/16/357162416.db2.gz UVFOGBWEEOWRFS-UHFFFAOYSA-N 2 1 242.407 2.077 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC000393802928 357299915 /nfs/dbraw/zinc/29/99/15/357299915.db2.gz UPCRDYUVFNVJHH-YPMHNXCESA-N 2 1 224.392 2.352 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000356849533 538819252 /nfs/dbraw/zinc/81/92/52/538819252.db2.gz PSLANNGPNUUWMM-IHRRRGAJSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)CCC[NH3+])C1 ZINC000394504800 357363229 /nfs/dbraw/zinc/36/32/29/357363229.db2.gz FCASSFUWLJELPC-OLZOCXBDSA-N 2 1 212.381 2.483 20 0 BEADMP CC1(C)CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000149299251 357384863 /nfs/dbraw/zinc/38/48/63/357384863.db2.gz ADNXMSXBNJLJIT-VXGBXAGGSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CC(C)(C)C1 ZINC000395193030 357417074 /nfs/dbraw/zinc/41/70/74/357417074.db2.gz ZCSATZOTOPTCNG-NTZNESFSSA-N 2 1 224.392 2.493 20 0 BEADMP Cc1cnccc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397487375 357515880 /nfs/dbraw/zinc/51/58/80/357515880.db2.gz WHIJTFVAPMHXQS-LNSITVRQSA-N 2 1 247.386 2.195 20 0 BEADMP CC(C)CCOCC[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000063196352 357593035 /nfs/dbraw/zinc/59/30/35/357593035.db2.gz OVUSHEOADZIKRU-ZIAGYGMSSA-N 2 1 242.407 2.251 20 0 BEADMP CC(C)CCOCC[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000063196352 357593040 /nfs/dbraw/zinc/59/30/40/357593040.db2.gz OVUSHEOADZIKRU-ZIAGYGMSSA-N 2 1 242.407 2.251 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCCCC1 ZINC000132062996 325196981 /nfs/dbraw/zinc/19/69/81/325196981.db2.gz DLLBGMZBBXMCQZ-YPMHNXCESA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCCCC1 ZINC000132062996 325196985 /nfs/dbraw/zinc/19/69/85/325196985.db2.gz DLLBGMZBBXMCQZ-YPMHNXCESA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000159978955 538881066 /nfs/dbraw/zinc/88/10/66/538881066.db2.gz SDFPXNQBIRETAY-KWCYVHTRSA-N 2 1 222.376 2.249 20 0 BEADMP CCOC[C@@H]([NH2+]C1CC[NH+](CC)CC1)C(C)C ZINC000233723967 357740511 /nfs/dbraw/zinc/74/05/11/357740511.db2.gz PLOUVHZLOMAFKG-CQSZACIVSA-N 2 1 242.407 2.121 20 0 BEADMP CC[NH+](CC)CCC[N@@H+]1CCS[C@H](C)C1 ZINC000191480355 357773443 /nfs/dbraw/zinc/77/34/43/357773443.db2.gz ZRXGKYVPLJTLKK-GFCCVEGCSA-N 2 1 230.421 2.156 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CCS[C@H](C)C1 ZINC000191480355 357773448 /nfs/dbraw/zinc/77/34/48/357773448.db2.gz ZRXGKYVPLJTLKK-GFCCVEGCSA-N 2 1 230.421 2.156 20 0 BEADMP CCc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)s1 ZINC000399233999 357899755 /nfs/dbraw/zinc/89/97/55/357899755.db2.gz DCACKGMRIQXPGB-LBPRGKRZSA-N 2 1 224.373 2.137 20 0 BEADMP Cc1ccc(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cn1 ZINC000584463914 357980915 /nfs/dbraw/zinc/98/09/15/357980915.db2.gz SILDODISVKSDPW-HIFRSBDPSA-N 2 1 247.386 2.053 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000037484242 358072800 /nfs/dbraw/zinc/07/28/00/358072800.db2.gz UGRQIMHAELXZIR-LLVKDONJSA-N 2 1 222.376 2.106 20 0 BEADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000037670764 358091767 /nfs/dbraw/zinc/09/17/67/358091767.db2.gz AOHMDDXXTMMKGZ-LBPRGKRZSA-N 2 1 231.343 2.286 20 0 BEADMP Cc1cccc(NC[C@@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000037670764 358091770 /nfs/dbraw/zinc/09/17/70/358091770.db2.gz AOHMDDXXTMMKGZ-LBPRGKRZSA-N 2 1 231.343 2.286 20 0 BEADMP CSCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172434633 134266006 /nfs/dbraw/zinc/26/60/06/134266006.db2.gz LZXVLDIHPLIOHH-CYBMUJFWSA-N 2 1 242.432 2.300 20 0 BEADMP C[C@]1(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)CC[NH2+]C1 ZINC000226595332 358340778 /nfs/dbraw/zinc/34/07/78/358340778.db2.gz XUIRUNFHFATIGK-IHRRRGAJSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H](C)S1 ZINC000226670227 358342480 /nfs/dbraw/zinc/34/24/80/358342480.db2.gz MQHKKZVZXIQPKM-FRRDWIJNSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H](c1ccccc1F)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000219122130 134274468 /nfs/dbraw/zinc/27/44/68/134274468.db2.gz DCZNYNSJWHXWJD-QWRGUYRKSA-N 2 1 222.307 2.167 20 0 BEADMP C[C@H](CC[N@@H+](C)CCC[NH3+])c1ccccc1 ZINC000227744515 358362938 /nfs/dbraw/zinc/36/29/38/358362938.db2.gz KODNGUBUBKGHTO-CYBMUJFWSA-N 2 1 220.360 2.461 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccnc1 ZINC000044535036 358389500 /nfs/dbraw/zinc/38/95/00/358389500.db2.gz FRWGJXCXPRXFEP-CHWSQXEVSA-N 2 1 233.359 2.074 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccnc1 ZINC000044535036 358389503 /nfs/dbraw/zinc/38/95/03/358389503.db2.gz FRWGJXCXPRXFEP-CHWSQXEVSA-N 2 1 233.359 2.074 20 0 BEADMP C[C@]1(C[NH3+])CC[N@@H+](CCCOc2ccccc2)C1 ZINC000235706936 358447833 /nfs/dbraw/zinc/44/78/33/358447833.db2.gz OOTMFISGQXQRMT-OAHLLOKOSA-N 2 1 248.370 2.126 20 0 BEADMP C[C@H]1SCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000220553675 491133310 /nfs/dbraw/zinc/13/33/10/491133310.db2.gz BFIPACPCNZCUEE-MFKMUULPSA-N 2 1 240.416 2.097 20 0 BEADMP CCCCOCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127999644 358568617 /nfs/dbraw/zinc/56/86/17/358568617.db2.gz XTPIKNBNZCNBEZ-UONOGXRCSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCCC2)CCO1 ZINC000131993480 358702429 /nfs/dbraw/zinc/70/24/29/358702429.db2.gz VYRKZWFBGAVBRH-CHWSQXEVSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000132416712 491135909 /nfs/dbraw/zinc/13/59/09/491135909.db2.gz XAYYSTZSAJEYPP-FPMFFAJLSA-N 2 1 222.376 2.391 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000049330055 358682795 /nfs/dbraw/zinc/68/27/95/358682795.db2.gz JBJZZWPAJRMDMI-DGCLKSJQSA-N 2 1 221.348 2.360 20 0 BEADMP C[NH+](C)CCCC[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000132078684 358705304 /nfs/dbraw/zinc/70/53/04/358705304.db2.gz XHIBOUBAEPTLBU-HUUCEWRRSA-N 2 1 247.386 2.063 20 0 BEADMP Cc1nc(C)c([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)s1 ZINC000049538744 358694439 /nfs/dbraw/zinc/69/44/39/358694439.db2.gz UUHDPIIFDSRNHS-GZMMTYOYSA-N 2 1 241.404 2.394 20 0 BEADMP CCCCOCC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000133290071 358750028 /nfs/dbraw/zinc/75/00/28/358750028.db2.gz YHAUTMWLEUGVMR-ZDUSSCGKSA-N 2 1 230.396 2.108 20 0 BEADMP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000132402313 358722545 /nfs/dbraw/zinc/72/25/45/358722545.db2.gz SIYXPCRGCOCYCW-MRVWCRGKSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000132402313 358722546 /nfs/dbraw/zinc/72/25/46/358722546.db2.gz SIYXPCRGCOCYCW-MRVWCRGKSA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(F)cc1F ZINC000423304912 192694885 /nfs/dbraw/zinc/69/48/85/192694885.db2.gz PUNQJUXXFXHYPN-ZDUSSCGKSA-N 2 1 240.297 2.225 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH+]1[C@H](C)C[C@H]1C ZINC000548096684 325428831 /nfs/dbraw/zinc/42/88/31/325428831.db2.gz IHHJTQFQZZVDTA-VXGBXAGGSA-N 2 1 221.348 2.454 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)C1CCCC1 ZINC000069804822 359033627 /nfs/dbraw/zinc/03/36/27/359033627.db2.gz YOAQCMJCERUWRU-NSHDSACASA-N 2 1 221.348 2.360 20 0 BEADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1C=CCCC1 ZINC000247081080 359193547 /nfs/dbraw/zinc/19/35/47/359193547.db2.gz UDTDKSXEAHBKAB-UONOGXRCSA-N 2 1 222.376 2.369 20 0 BEADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1C=CCCC1 ZINC000247081080 359193550 /nfs/dbraw/zinc/19/35/50/359193550.db2.gz UDTDKSXEAHBKAB-UONOGXRCSA-N 2 1 222.376 2.369 20 0 BEADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]1C=CCCC1 ZINC000247081080 359193554 /nfs/dbraw/zinc/19/35/54/359193554.db2.gz UDTDKSXEAHBKAB-UONOGXRCSA-N 2 1 222.376 2.369 20 0 BEADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]1C=CCCC1 ZINC000247081080 359193559 /nfs/dbraw/zinc/19/35/59/359193559.db2.gz UDTDKSXEAHBKAB-UONOGXRCSA-N 2 1 222.376 2.369 20 0 BEADMP CO[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000623436965 359330037 /nfs/dbraw/zinc/33/00/37/359330037.db2.gz LSXRXXOVEQABHH-OLZOCXBDSA-N 2 1 242.407 2.120 20 0 BEADMP COCCC[C@@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423379713 192755771 /nfs/dbraw/zinc/75/57/71/192755771.db2.gz GUBIERMILJOULR-CHWSQXEVSA-N 2 1 242.407 2.169 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCSC2)CC1(C)C ZINC000623439386 359332307 /nfs/dbraw/zinc/33/23/07/359332307.db2.gz GRPPWZBOXXFELC-RYUDHWBXSA-N 2 1 242.432 2.344 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCO2)CC1(C)C ZINC000623443992 359334795 /nfs/dbraw/zinc/33/47/95/359334795.db2.gz XNGCHOAUJMOBHC-JSGCOSHPSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000423383781 192759611 /nfs/dbraw/zinc/75/96/11/192759611.db2.gz FFMWKQWEEDPBLC-IMIFBBOLSA-N 2 1 218.344 2.115 20 0 BEADMP COC1([C@@H](C)[NH2+]C2CC[NH+](C)CC2)CCCC1 ZINC000421819539 359504815 /nfs/dbraw/zinc/50/48/15/359504815.db2.gz HPXXKDMXJJYQCA-GFCCVEGCSA-N 2 1 240.391 2.018 20 0 BEADMP CCc1nc(NCC2([NH+](C)C)CCC2)cc(C)[nH+]1 ZINC000286564284 359534649 /nfs/dbraw/zinc/53/46/49/359534649.db2.gz FMGAKIRYEXDAIF-UHFFFAOYSA-N 2 1 248.374 2.244 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+]CC1(C)CCC1 ZINC000309010074 491142316 /nfs/dbraw/zinc/14/23/16/491142316.db2.gz WMJKFXKOZOKCJH-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCC23CC3)C1 ZINC000578454355 366575031 /nfs/dbraw/zinc/57/50/31/366575031.db2.gz XLDZAYNGWDHVOO-STQMWFEESA-N 2 1 222.376 2.251 20 0 BEADMP CCc1cc(NCC(C)(C)[NH+](C)C)nc(C)[nH+]1 ZINC000088760316 359977584 /nfs/dbraw/zinc/97/75/84/359977584.db2.gz OIKXMZVWOGBTNZ-UHFFFAOYSA-N 2 1 236.363 2.100 20 0 BEADMP COc1ccccc1C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000089749236 360036591 /nfs/dbraw/zinc/03/65/91/360036591.db2.gz LSWBSPSXKBVGFI-ZDUSSCGKSA-N 2 1 248.370 2.127 20 0 BEADMP Cc1ccccc1C[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000089749189 360036715 /nfs/dbraw/zinc/03/67/15/360036715.db2.gz LHIAZRDVKJSELO-CQSZACIVSA-N 2 1 232.371 2.426 20 0 BEADMP CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000090219852 360066200 /nfs/dbraw/zinc/06/62/00/360066200.db2.gz RJYGCKZYEQMESY-CHWSQXEVSA-N 2 1 222.376 2.393 20 0 BEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1(C2CC2)CC1 ZINC000090772695 360086679 /nfs/dbraw/zinc/08/66/79/360086679.db2.gz VUZHWDSIQVJVQA-ZIAGYGMSSA-N 2 1 234.387 2.393 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000090772729 360086764 /nfs/dbraw/zinc/08/67/64/360086764.db2.gz ZWZJXOPAANFGGM-YPMHNXCESA-N 2 1 222.376 2.106 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC000623481307 360443854 /nfs/dbraw/zinc/44/38/54/360443854.db2.gz ZLLZYFCKQAVUSA-FRRDWIJNSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC=CCC2)CC[N@@H+]1C ZINC000156129388 360950551 /nfs/dbraw/zinc/95/05/51/360950551.db2.gz DVCJSKRGMMLAKQ-FRRDWIJNSA-N 2 1 208.349 2.167 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC=CCC2)CC[N@H+]1C ZINC000156129388 360950553 /nfs/dbraw/zinc/95/05/53/360950553.db2.gz DVCJSKRGMMLAKQ-FRRDWIJNSA-N 2 1 208.349 2.167 20 0 BEADMP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629407439 361055707 /nfs/dbraw/zinc/05/57/07/361055707.db2.gz ADQXCZZTQYFPAG-KCQAQPDRSA-N 2 1 232.371 2.266 20 0 BEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)Cc1ccsc1 ZINC000629390725 361045682 /nfs/dbraw/zinc/04/56/82/361045682.db2.gz WDJOYATVYMJKEU-WCFLWFBJSA-N 2 1 238.400 2.409 20 0 BEADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000629408394 361059205 /nfs/dbraw/zinc/05/92/05/361059205.db2.gz UUEITBFJFNDEAG-GXTWGEPZSA-N 2 1 232.371 2.304 20 0 BEADMP CCCC[C@@H](COC)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000629521594 361117676 /nfs/dbraw/zinc/11/76/76/361117676.db2.gz VTDVVZZIXYIBGB-QWHCGFSZSA-N 2 1 240.391 2.066 20 0 BEADMP FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC[NH2+]CC1 ZINC000629500596 361100989 /nfs/dbraw/zinc/10/09/89/361100989.db2.gz XFAKFHFCJQVTAC-TXEJJXNPSA-N 2 1 244.329 2.248 20 0 BEADMP COc1ccc(F)c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000622043633 370674340 /nfs/dbraw/zinc/67/43/40/370674340.db2.gz GKIAQKWPVHKEPH-UWVGGRQHSA-N 2 1 240.322 2.050 20 0 BEADMP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000336658145 361320117 /nfs/dbraw/zinc/32/01/17/361320117.db2.gz MLAIQVVELMRROV-AGIUHOORSA-N 2 1 222.376 2.391 20 0 BEADMP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000336658145 361320119 /nfs/dbraw/zinc/32/01/19/361320119.db2.gz MLAIQVVELMRROV-AGIUHOORSA-N 2 1 222.376 2.391 20 0 BEADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000429528148 201112453 /nfs/dbraw/zinc/11/24/53/201112453.db2.gz IPAWIRWBVBRHLC-ZDUSSCGKSA-N 2 1 210.365 2.203 20 0 BEADMP C/C=C\C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000629536616 361399770 /nfs/dbraw/zinc/39/97/70/361399770.db2.gz IBEDEJCVWMOCQA-VPOWOMEUSA-N 2 1 218.344 2.111 20 0 BEADMP [NH3+]C1(C[NH2+][C@H]2CCCNc3ccccc32)CCC1 ZINC000333347961 181331992 /nfs/dbraw/zinc/33/19/92/181331992.db2.gz ZRRVQERFDAAHIB-AWEZNQCLSA-N 2 1 245.370 2.404 20 0 BEADMP COC1(C[C@H](C)[NH2+]C2CC[NH+](C)CC2)CCC1 ZINC000429361232 201104153 /nfs/dbraw/zinc/10/41/53/201104153.db2.gz IYBMQYGUXVDNAC-LBPRGKRZSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429576512 201117942 /nfs/dbraw/zinc/11/79/42/201117942.db2.gz CKDUBOSFTJTOPX-DGCLKSJQSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429576512 201117945 /nfs/dbraw/zinc/11/79/45/201117945.db2.gz CKDUBOSFTJTOPX-DGCLKSJQSA-N 2 1 221.348 2.312 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)[C@@H]1C[C@@H]1C ZINC000629540440 361414120 /nfs/dbraw/zinc/41/41/20/361414120.db2.gz PIGVSCIFTMZPTB-YYHQMBLXSA-N 2 1 210.365 2.151 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)C[NH2+]1 ZINC000629534687 361408298 /nfs/dbraw/zinc/40/82/98/361408298.db2.gz ASCKGAMCRDVWDE-RGDJUOJXSA-N 2 1 222.376 2.295 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC23CCCC3)C[NH2+]1 ZINC000629542709 361420156 /nfs/dbraw/zinc/42/01/56/361420156.db2.gz JOBIVGRTQJDJPN-JHJVBQTASA-N 2 1 222.376 2.439 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C1CCSCC1 ZINC000629543348 361422145 /nfs/dbraw/zinc/42/21/45/361422145.db2.gz YYDYNPNUHGQMML-NQBHXWOUSA-N 2 1 242.432 2.248 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCCC12CC2 ZINC000629554894 361436430 /nfs/dbraw/zinc/43/64/30/361436430.db2.gz OKUJOPRTFUGYPO-FRRDWIJNSA-N 2 1 222.376 2.154 20 0 BEADMP C[C@@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000629553072 361437061 /nfs/dbraw/zinc/43/70/61/361437061.db2.gz LEMGKGIQCSBGBA-ARFHVFGLSA-N 2 1 244.382 2.448 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)C[NH2+]1 ZINC000629542549 361419177 /nfs/dbraw/zinc/41/91/77/361419177.db2.gz FPWFSIMJMDYYME-SAXRGWBVSA-N 2 1 222.376 2.295 20 0 BEADMP CC(C)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563983 361458623 /nfs/dbraw/zinc/45/86/23/361458623.db2.gz IUOSXGIKQBVYGU-ZJUUUORDSA-N 2 1 238.297 2.102 20 0 BEADMP C[C@H]1CCC[C@@H](CC[N@@H+](C)CCOCC[NH3+])C1 ZINC000629576859 361468453 /nfs/dbraw/zinc/46/84/53/361468453.db2.gz DRTBLMQPXGDSLA-KBPBESRZSA-N 2 1 242.407 2.110 20 0 BEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC1CCCCC1)C2 ZINC000629584554 361473686 /nfs/dbraw/zinc/47/36/86/361473686.db2.gz RTPQWXCSFYAPPG-GASCZTMLSA-N 2 1 236.403 2.498 20 0 BEADMP C[NH2+]CCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000163321670 361454753 /nfs/dbraw/zinc/45/47/53/361454753.db2.gz YSNWJLACDRNUEE-UHFFFAOYSA-N 2 1 230.714 2.178 20 0 BEADMP CCCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629567153 361457762 /nfs/dbraw/zinc/45/77/62/361457762.db2.gz WYTMXXXWRGYDPO-UWVGGRQHSA-N 2 1 238.297 2.246 20 0 BEADMP FC(F)C1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000433323658 201181961 /nfs/dbraw/zinc/18/19/61/201181961.db2.gz XUZZTGWWKMYNKO-UHFFFAOYSA-N 2 1 244.329 2.248 20 0 BEADMP CC(C)C[C@H](C)C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629660065 361564091 /nfs/dbraw/zinc/56/40/91/361564091.db2.gz NDLPBLUVMMBSCS-RWMBFGLXSA-N 2 1 212.381 2.399 20 0 BEADMP Cc1ccc(CCCN[C@H]2CC[C@H](C)[NH2+]C2)cn1 ZINC000629659776 361564265 /nfs/dbraw/zinc/56/42/65/361564265.db2.gz GTQPDJHTPKMLHH-ZFWWWQNUSA-N 3 1 247.386 2.053 20 0 BEADMP CC[C@H]1CCC[C@H](C[N@@H+](C)CCOCC[NH3+])C1 ZINC000629667996 361589075 /nfs/dbraw/zinc/58/90/75/361589075.db2.gz ZAIUKPYABRYGCE-KBPBESRZSA-N 2 1 242.407 2.110 20 0 BEADMP CC[N@@H+](Cc1ccc(C)cn1)[C@H]1CCC[NH2+]CC1 ZINC000435379098 201264396 /nfs/dbraw/zinc/26/43/96/201264396.db2.gz AYTVPWAFLBMPHW-HNNXBMFYSA-N 2 1 247.386 2.354 20 0 BEADMP C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000435378807 201264579 /nfs/dbraw/zinc/26/45/79/201264579.db2.gz KAPBGEUSQXXVEV-DZGCQCFKSA-N 2 1 232.371 2.146 20 0 BEADMP CCCc1cccc(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000435368855 201266470 /nfs/dbraw/zinc/26/64/70/201266470.db2.gz JLIQTFIXPGMBCB-OAHLLOKOSA-N 2 1 232.371 2.420 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000435377073 201266543 /nfs/dbraw/zinc/26/65/43/201266543.db2.gz XUHHPSSGITZWTN-ZBFHGGJFSA-N 2 1 246.398 2.407 20 0 BEADMP CC[N@@H+](Cc1cccc(O)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435391530 201267968 /nfs/dbraw/zinc/26/79/68/201267968.db2.gz STYMBTUXGZBJPL-CQSZACIVSA-N 2 1 248.370 2.356 20 0 BEADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H]1C ZINC000154410082 201277609 /nfs/dbraw/zinc/27/76/09/201277609.db2.gz BHAIOBIZDVCTJN-RDBSUJKOSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000154410082 201277611 /nfs/dbraw/zinc/27/76/11/201277611.db2.gz BHAIOBIZDVCTJN-RDBSUJKOSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000435871038 201290336 /nfs/dbraw/zinc/29/03/36/201290336.db2.gz ISWQWQGWRUKNOI-HNNXBMFYSA-N 2 1 232.371 2.303 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]C2CCCCCC2)C[NH2+]1 ZINC000398951184 364278555 /nfs/dbraw/zinc/27/85/55/364278555.db2.gz DNDVHHONXSCBGE-AAEUAGOBSA-N 2 1 210.365 2.439 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C)C[NH2+]1 ZINC000398959298 364280094 /nfs/dbraw/zinc/28/00/94/364280094.db2.gz KZVKDWZGOLKRRQ-RNJOBUHISA-N 2 1 210.365 2.295 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H](C2CC2)C2CCC2)C[NH2+]1 ZINC000399035029 364737744 /nfs/dbraw/zinc/73/77/44/364737744.db2.gz NOMZRUAOFUZCJC-DDTOSNHZSA-N 2 1 222.376 2.295 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@H](C2CC2)C2CCC2)C[NH2+]1 ZINC000399035030 364737959 /nfs/dbraw/zinc/73/79/59/364737959.db2.gz NOMZRUAOFUZCJC-HONMWMINSA-N 2 1 222.376 2.295 20 0 BEADMP CC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C1CCC1 ZINC000399043738 364749852 /nfs/dbraw/zinc/74/98/52/364749852.db2.gz RONIFBBQBSPRLH-WXHSDQCUSA-N 2 1 210.365 2.295 20 0 BEADMP CC[NH2+]CCC[NH2+][C@H](C)c1cccc(O)c1 ZINC000573711317 364899405 /nfs/dbraw/zinc/89/94/05/364899405.db2.gz GIMOGCBSPKMKAF-LLVKDONJSA-N 2 1 222.332 2.042 20 0 BEADMP Cc1cnccc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000573806726 364921665 /nfs/dbraw/zinc/92/16/65/364921665.db2.gz OJMBFDITFUBSGN-AWEZNQCLSA-N 2 1 247.386 2.212 20 0 BEADMP Cc1ccc(CC[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000573931522 364949879 /nfs/dbraw/zinc/94/98/79/364949879.db2.gz XAIWMECWOHUNQY-UKRRQHHQSA-N 2 1 232.371 2.349 20 0 BEADMP [NH3+]CCC[N@H+]1CCC[C@H]1c1ccccc1 ZINC000034492707 181381066 /nfs/dbraw/zinc/38/10/66/181381066.db2.gz PLCSEZLEEKMIDY-ZDUSSCGKSA-N 2 1 204.317 2.172 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CCCc1cncn1C ZINC000574288293 365029694 /nfs/dbraw/zinc/02/96/94/365029694.db2.gz GTMYPFRKLPIUGS-LLVKDONJSA-N 2 1 209.337 2.083 20 0 BEADMP CC[C@@H](C)[N@H+](C)CCCc1c[nH+]cn1C ZINC000574288293 365029696 /nfs/dbraw/zinc/02/96/96/365029696.db2.gz GTMYPFRKLPIUGS-LLVKDONJSA-N 2 1 209.337 2.083 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000574288293 365029700 /nfs/dbraw/zinc/02/97/00/365029700.db2.gz GTMYPFRKLPIUGS-LLVKDONJSA-N 2 1 209.337 2.083 20 0 BEADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccsc1 ZINC000575859828 365387068 /nfs/dbraw/zinc/38/70/68/365387068.db2.gz TVCTWEOQVSMWTE-SNVBAGLBSA-N 2 1 212.362 2.398 20 0 BEADMP C[C@H]1CSC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453593593 202780030 /nfs/dbraw/zinc/78/00/30/202780030.db2.gz GWQAGDSOTHXION-AAEUAGOBSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2cccc(O)c2)CC[NH2+]1 ZINC000580939946 367210349 /nfs/dbraw/zinc/21/03/49/367210349.db2.gz NKZDVDVQNBLKHF-JSGCOSHPSA-N 2 1 248.370 2.212 20 0 BEADMP CC(C)[C@H](C[NH2+]CC1(C)CC1)[NH+]1CCCC1 ZINC000381129717 367354465 /nfs/dbraw/zinc/35/44/65/367354465.db2.gz KJLRKGABMDGQGG-ZDUSSCGKSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000380806858 367306345 /nfs/dbraw/zinc/30/63/45/367306345.db2.gz QNEYGBMOYSWATM-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP CC1(C)CCC[C@H](C[N@@H+]2CC[C@H]([NH3+])C2)C1 ZINC000381450135 367407967 /nfs/dbraw/zinc/40/79/67/367407967.db2.gz HDNIWVNUKKYEIR-RYUDHWBXSA-N 2 1 210.365 2.236 20 0 BEADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@H]([NH3+])C2)C1 ZINC000381450135 367407971 /nfs/dbraw/zinc/40/79/71/367407971.db2.gz HDNIWVNUKKYEIR-RYUDHWBXSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CC1(C)C ZINC000399124836 367596892 /nfs/dbraw/zinc/59/68/92/367596892.db2.gz JMCSZRLBWOOJHV-NOOOWODRSA-N 2 1 210.365 2.151 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3C2)C[NH2+]1 ZINC000399129541 367597539 /nfs/dbraw/zinc/59/75/39/367597539.db2.gz VWKPTLCPTCSXEC-WQVCFCJDSA-N 2 1 244.382 2.274 20 0 BEADMP C[C@@H](c1ccncc1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000383922995 367659972 /nfs/dbraw/zinc/65/99/72/367659972.db2.gz HXOXLXGVPCRTBH-HZSPNIEDSA-N 2 1 247.386 2.463 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CCCCC1 ZINC000252710420 367690204 /nfs/dbraw/zinc/69/02/04/367690204.db2.gz GPLNZMMVGDJOCD-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cccc(C[N@H+](C)C2CC([NH3+])C2)c1C ZINC000384706888 367718089 /nfs/dbraw/zinc/71/80/89/367718089.db2.gz CKBYKZOYFUIKCS-UHFFFAOYSA-N 2 1 218.344 2.225 20 0 BEADMP CC/C=C/C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000384866945 367746332 /nfs/dbraw/zinc/74/63/32/367746332.db2.gz NZEHXOUCVMZTQD-PDSHNHIRSA-N 2 1 210.365 2.271 20 0 BEADMP C[N@H+](Cc1ccc2c(c1)CCC2)C1(C[NH3+])CCC1 ZINC000385168905 367803188 /nfs/dbraw/zinc/80/31/88/367803188.db2.gz FXHWFVDFLBRLQB-UHFFFAOYSA-N 2 1 244.382 2.489 20 0 BEADMP C[N@@H+](Cc1ccc2c(c1)CCC2)C1(C[NH3+])CCC1 ZINC000385168905 367803193 /nfs/dbraw/zinc/80/31/93/367803193.db2.gz FXHWFVDFLBRLQB-UHFFFAOYSA-N 2 1 244.382 2.489 20 0 BEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C/C=C\c3ccccc3)C[C@H]12 ZINC000385774189 367863331 /nfs/dbraw/zinc/86/33/31/367863331.db2.gz WEYFXHHMOUYZGT-WEMDRRJRSA-N 2 1 242.366 2.369 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCSCC[C@H]2C)CC[NH2+]1 ZINC000385411262 367826140 /nfs/dbraw/zinc/82/61/40/367826140.db2.gz UVBSIKWXLRAHRU-JHJVBQTASA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]([N@@H+](C)CC[C@@H]1CCC[NH2+]C1)C1(C)CC1 ZINC000385417290 367827813 /nfs/dbraw/zinc/82/78/13/367827813.db2.gz ZHKIHCMJHOJTFF-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H](C)[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)OC ZINC000386046306 367903390 /nfs/dbraw/zinc/90/33/90/367903390.db2.gz UJTVRSBOZBRCOD-DGAVXFQQSA-N 2 1 242.407 2.168 20 0 BEADMP CCC[N@H+](CC(F)F)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000387096571 368050485 /nfs/dbraw/zinc/05/04/85/368050485.db2.gz WIQKVFIIFDTTBP-QWRGUYRKSA-N 2 1 234.334 2.352 20 0 BEADMP CCC[N@@H+](CC(F)F)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000387096571 368050491 /nfs/dbraw/zinc/05/04/91/368050491.db2.gz WIQKVFIIFDTTBP-QWRGUYRKSA-N 2 1 234.334 2.352 20 0 BEADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1nccs1 ZINC000080310341 368494091 /nfs/dbraw/zinc/49/40/91/368494091.db2.gz LFZVKRBBDBJEIY-JTQLQIEISA-N 2 1 247.367 2.453 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@](C)(C[NH3+])C2CC2)c(C)n1 ZINC000631823205 368982755 /nfs/dbraw/zinc/98/27/55/368982755.db2.gz YRGJKZIQBMSHQD-OAHLLOKOSA-N 2 1 247.386 2.224 20 0 BEADMP C[N@H+]1CCCC[C@@H](C[NH2+]CC2(C)CCC2)C1 ZINC000623656912 368996796 /nfs/dbraw/zinc/99/67/96/368996796.db2.gz FLDYARZZRAGUFB-ZDUSSCGKSA-N 2 1 224.392 2.498 20 0 BEADMP Cc1cnccc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623657450 368998096 /nfs/dbraw/zinc/99/80/96/368998096.db2.gz RCKIVWFEQBFODX-CQSZACIVSA-N 2 1 247.386 2.212 20 0 BEADMP CC[C@H](C)C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657780 368999863 /nfs/dbraw/zinc/99/98/63/368999863.db2.gz YXPRIKOCMUWOGH-QWHCGFSZSA-N 2 1 212.381 2.354 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c(C)n1 ZINC000631824192 368987619 /nfs/dbraw/zinc/98/76/19/368987619.db2.gz YJQASIAHMPZSQK-JSGCOSHPSA-N 2 1 247.386 2.176 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839694 369169981 /nfs/dbraw/zinc/16/99/81/369169981.db2.gz JRSKBYAHNSJXSG-ZIAGYGMSSA-N 2 1 232.371 2.330 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631839693 369170073 /nfs/dbraw/zinc/17/00/73/369170073.db2.gz JRSKBYAHNSJXSG-UONOGXRCSA-N 2 1 232.371 2.330 20 0 BEADMP CC(C)[N@@H+](CCc1cncn1C)CC1CCC1 ZINC000459429607 203281192 /nfs/dbraw/zinc/28/11/92/203281192.db2.gz PRBOKUMMPKSQHC-UHFFFAOYSA-N 2 1 235.375 2.473 20 0 BEADMP CS[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459455522 203284705 /nfs/dbraw/zinc/28/47/05/203284705.db2.gz ZAPULAIIHFTWHM-STQMWFEESA-N 2 1 240.416 2.097 20 0 BEADMP C[C@H](Cc1ccsc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400483033 369350799 /nfs/dbraw/zinc/35/07/99/369350799.db2.gz WPTAGDQTUUEHOP-NQBHXWOUSA-N 2 1 238.400 2.409 20 0 BEADMP CSc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107573404 369354054 /nfs/dbraw/zinc/35/40/54/369354054.db2.gz JTPLVJAWCJTQNP-STQMWFEESA-N 2 1 248.395 2.060 20 0 BEADMP Cc1ccccc1CCC[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631861229 369471065 /nfs/dbraw/zinc/47/10/65/369471065.db2.gz YCUAASMAVBSOGW-DZGCQCFKSA-N 2 1 232.371 2.349 20 0 BEADMP Cc1ccccc1CCC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631861229 369471067 /nfs/dbraw/zinc/47/10/67/369471067.db2.gz YCUAASMAVBSOGW-DZGCQCFKSA-N 2 1 232.371 2.349 20 0 BEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCSC2)C1 ZINC000459724466 203342394 /nfs/dbraw/zinc/34/23/94/203342394.db2.gz DSTOYNDQZPDNJP-STQMWFEESA-N 2 1 242.432 2.204 20 0 BEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCSC2)C1 ZINC000459724465 203343385 /nfs/dbraw/zinc/34/33/85/203343385.db2.gz DSTOYNDQZPDNJP-QWHCGFSZSA-N 2 1 242.432 2.204 20 0 BEADMP CC(C)[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459736645 203346239 /nfs/dbraw/zinc/34/62/39/203346239.db2.gz QEFSUWFEHVGBHT-OLZOCXBDSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000459737337 203347834 /nfs/dbraw/zinc/34/78/34/203347834.db2.gz QYFSBWACOJJVCO-KGLIPLIRSA-N 2 1 247.386 2.464 20 0 BEADMP CC[C@H](C[NH2+][C@@H](C)C1CC1)[NH+]1CCCC1 ZINC000165255926 203384224 /nfs/dbraw/zinc/38/42/24/203384224.db2.gz DINJFUPNAAJJNT-WCQYABFASA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CCC1 ZINC000459787789 203369534 /nfs/dbraw/zinc/36/95/34/203369534.db2.gz PZDWDJMEJQYKSN-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CCC1 ZINC000459787786 203370123 /nfs/dbraw/zinc/37/01/23/203370123.db2.gz PZDWDJMEJQYKSN-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459795016 203372066 /nfs/dbraw/zinc/37/20/66/203372066.db2.gz XDKBTJJOOMVBLZ-HZSPNIEDSA-N 2 1 233.359 2.360 20 0 BEADMP C[C@@H]1CSC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459798035 203372325 /nfs/dbraw/zinc/37/23/25/203372325.db2.gz XKELHXXGWGDTRY-AGIUHOORSA-N 2 1 242.432 2.059 20 0 BEADMP CO[C@H](C[N@@H+]1C[C@H]([NH3+])C[C@H]1C)C1CCCCC1 ZINC000631862887 369579123 /nfs/dbraw/zinc/57/91/23/369579123.db2.gz UYGMPYXXZSITJD-MRVWCRGKSA-N 2 1 240.391 2.003 20 0 BEADMP CO[C@H](C[N@H+]1C[C@H]([NH3+])C[C@H]1C)C1CCCCC1 ZINC000631862887 369579126 /nfs/dbraw/zinc/57/91/26/369579126.db2.gz UYGMPYXXZSITJD-MRVWCRGKSA-N 2 1 240.391 2.003 20 0 BEADMP C[C@H](c1ccccc1F)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453114 370045521 /nfs/dbraw/zinc/04/55/21/370045521.db2.gz ARKMTBNHMRASBO-WOPDTQHZSA-N 2 1 234.318 2.038 20 0 BEADMP COc1ccccc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253199450 370161193 /nfs/dbraw/zinc/16/11/93/370161193.db2.gz WKBONDJEZHGZOB-GXTWGEPZSA-N 2 1 248.370 2.112 20 0 BEADMP Cc1ccc(CC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000631868167 370381959 /nfs/dbraw/zinc/38/19/59/370381959.db2.gz ZAKQAXMYGVLGPL-CVEARBPZSA-N 2 1 244.382 2.269 20 0 BEADMP C[N@H+](Cc1cncc(Cl)c1)CC(C)(C)C[NH3+] ZINC000621774212 370519822 /nfs/dbraw/zinc/51/98/22/370519822.db2.gz NPFDEMZMIAJOHE-UHFFFAOYSA-N 2 1 241.766 2.152 20 0 BEADMP C[N@@H+](Cc1cncc(Cl)c1)CC(C)(C)C[NH3+] ZINC000621774212 370519827 /nfs/dbraw/zinc/51/98/27/370519827.db2.gz NPFDEMZMIAJOHE-UHFFFAOYSA-N 2 1 241.766 2.152 20 0 BEADMP Cc1ccccc1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621777343 370525383 /nfs/dbraw/zinc/52/53/83/370525383.db2.gz AZXHZNUSBIVIBR-HUUCEWRRSA-N 2 1 230.355 2.308 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000621777318 370525668 /nfs/dbraw/zinc/52/56/68/370525668.db2.gz APSCFRXEFLKXFW-LSDHHAIUSA-N 2 1 230.355 2.308 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000621777318 370525670 /nfs/dbraw/zinc/52/56/70/370525670.db2.gz APSCFRXEFLKXFW-LSDHHAIUSA-N 2 1 230.355 2.308 20 0 BEADMP Cc1ccccc1C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621777344 370525944 /nfs/dbraw/zinc/52/59/44/370525944.db2.gz AZXHZNUSBIVIBR-LSDHHAIUSA-N 2 1 230.355 2.308 20 0 BEADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CC1CCCCC1)C2 ZINC000621777652 370527285 /nfs/dbraw/zinc/52/72/85/370527285.db2.gz DJBVHYATJHXSHZ-ZIAGYGMSSA-N 2 1 222.376 2.380 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621784432 370535495 /nfs/dbraw/zinc/53/54/95/370535495.db2.gz OVRSSUCOFLPBTB-NQBHXWOUSA-N 2 1 246.345 2.481 20 0 BEADMP CC[N@H+](CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C(C)C ZINC000378661496 371012085 /nfs/dbraw/zinc/01/20/85/371012085.db2.gz BTTNVJFPQDBAKP-BFHYXJOUSA-N 2 1 224.392 2.495 20 0 BEADMP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C(C)C ZINC000378661496 371012092 /nfs/dbraw/zinc/01/20/92/371012092.db2.gz BTTNVJFPQDBAKP-BFHYXJOUSA-N 2 1 224.392 2.495 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@@H]2CCCC23CC3)CC1 ZINC000623825013 371112826 /nfs/dbraw/zinc/11/28/26/371112826.db2.gz UWDRQQLGEWQDSO-LBPRGKRZSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@H](Cc1ccccc1)C[N@@H+](C)CCC[NH3+] ZINC000568983393 326384534 /nfs/dbraw/zinc/38/45/34/326384534.db2.gz IAQJNLOSKYOPEP-CYBMUJFWSA-N 2 1 220.360 2.146 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@]2(C)CCCOC2)CC1(C)C ZINC000623908125 371149590 /nfs/dbraw/zinc/14/95/90/371149590.db2.gz PULIHWSOCPVZQU-GXTWGEPZSA-N 2 1 240.391 2.018 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@]2(C)CCCOC2)CC1(C)C ZINC000623908126 371149843 /nfs/dbraw/zinc/14/98/43/371149843.db2.gz PULIHWSOCPVZQU-JSGCOSHPSA-N 2 1 240.391 2.018 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC000228471113 181586116 /nfs/dbraw/zinc/58/61/16/181586116.db2.gz WLFFXPIBHJRZDU-BFHYXJOUSA-N 2 1 222.376 2.236 20 0 BEADMP COCCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120521 371321346 /nfs/dbraw/zinc/32/13/46/371321346.db2.gz BBUYNTLIEVKNJV-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CC(C)(C)C2)C1 ZINC000624123449 371324155 /nfs/dbraw/zinc/32/41/55/371324155.db2.gz MDTSSDGUHJLHKU-GFCCVEGCSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCC2(C)C)C1 ZINC000624123394 371324661 /nfs/dbraw/zinc/32/46/61/371324661.db2.gz LCPHBRXYOJQBIG-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@H](C)O1 ZINC000631218279 372242376 /nfs/dbraw/zinc/24/23/76/372242376.db2.gz MHSCYJOFIRUHJD-XQHKEYJVSA-N 2 1 240.391 2.015 20 0 BEADMP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000631260845 372266815 /nfs/dbraw/zinc/26/68/15/372266815.db2.gz DMTPZAURYGJJCL-UKKRHICBSA-N 2 1 248.292 2.154 20 0 BEADMP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000631260845 372266823 /nfs/dbraw/zinc/26/68/23/372266823.db2.gz DMTPZAURYGJJCL-UKKRHICBSA-N 2 1 248.292 2.154 20 0 BEADMP C[NH+](C)CCC[NH2+][C@@H]1CCCc2ncccc21 ZINC000631560893 372424354 /nfs/dbraw/zinc/42/43/54/372424354.db2.gz HCTXEYFBGWJWFU-CQSZACIVSA-N 2 1 233.359 2.000 20 0 BEADMP CCC[NH+]1CCC([NH2+]CC(C)(C)F)CC1 ZINC000631658427 372484985 /nfs/dbraw/zinc/48/49/85/372484985.db2.gz KVHONQVIYVQVQF-UHFFFAOYSA-N 2 1 216.344 2.199 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@](C)(C[NH3+])C(C)C)c(C)n1 ZINC000631822985 372599887 /nfs/dbraw/zinc/59/98/87/372599887.db2.gz TUKAAGSXJDFZCK-OAHLLOKOSA-N 2 1 249.402 2.470 20 0 BEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000631827868 372607736 /nfs/dbraw/zinc/60/77/36/372607736.db2.gz YHWRFBCNFZOLEX-NXEZZACHSA-N 2 1 234.334 2.385 20 0 BEADMP CCO[C@H](C[N@H+]1CCCCC[C@@H]([NH3+])C1)C1CC1 ZINC000631835335 372622288 /nfs/dbraw/zinc/62/22/88/372622288.db2.gz SAWBHTAUXOWYSQ-ZIAGYGMSSA-N 2 1 240.391 2.005 20 0 BEADMP CCO[C@@H](C[N@H+]1CCCCC[C@@H]([NH3+])C1)C1CC1 ZINC000631835333 372623680 /nfs/dbraw/zinc/62/36/80/372623680.db2.gz SAWBHTAUXOWYSQ-KGLIPLIRSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C[NH3+] ZINC000631839948 372636775 /nfs/dbraw/zinc/63/67/75/372636775.db2.gz NEVFXQZDWVQKFL-WCQYABFASA-N 2 1 210.365 2.093 20 0 BEADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCCc1cccc(F)c1 ZINC000631860628 372660000 /nfs/dbraw/zinc/66/00/00/372660000.db2.gz MCOZZZHTPBMMIP-FZMZJTMJSA-N 2 1 236.334 2.180 20 0 BEADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCCc1cccc(F)c1 ZINC000631860628 372660007 /nfs/dbraw/zinc/66/00/07/372660007.db2.gz MCOZZZHTPBMMIP-FZMZJTMJSA-N 2 1 236.334 2.180 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CC1CCCCCC1 ZINC000631861622 372661580 /nfs/dbraw/zinc/66/15/80/372661580.db2.gz FUXMAQVPWSZSNY-DGCLKSJQSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CC1CCCCCC1 ZINC000631861622 372661603 /nfs/dbraw/zinc/66/16/03/372661603.db2.gz FUXMAQVPWSZSNY-DGCLKSJQSA-N 2 1 210.365 2.378 20 0 BEADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000631873777 372675372 /nfs/dbraw/zinc/67/53/72/372675372.db2.gz WBCADJVWECMQBS-HIFRSBDPSA-N 2 1 236.403 2.498 20 0 BEADMP FCCCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890973 372675495 /nfs/dbraw/zinc/67/54/95/372675495.db2.gz VGVIGWUQMNCDHD-CHWSQXEVSA-N 2 1 228.355 2.200 20 0 BEADMP FCCCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890973 372675501 /nfs/dbraw/zinc/67/55/01/372675501.db2.gz VGVIGWUQMNCDHD-CHWSQXEVSA-N 2 1 228.355 2.200 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631884989 372680265 /nfs/dbraw/zinc/68/02/65/372680265.db2.gz RKRRVSKXYSJTBB-OLZOCXBDSA-N 2 1 210.365 2.106 20 0 BEADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890149 372687326 /nfs/dbraw/zinc/68/73/26/372687326.db2.gz MSXWPSIHPJABQZ-QMIVOQANSA-N 2 1 234.387 2.106 20 0 BEADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890149 372687328 /nfs/dbraw/zinc/68/73/28/372687328.db2.gz MSXWPSIHPJABQZ-QMIVOQANSA-N 2 1 234.387 2.106 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000414936833 205791058 /nfs/dbraw/zinc/79/10/58/205791058.db2.gz WVVWQLLBLZFKTA-BNOWGMLFSA-N 2 1 218.344 2.260 20 0 BEADMP CSCCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000223738556 259569299 /nfs/dbraw/zinc/56/92/99/259569299.db2.gz QIMVZSBPEYEUFG-YNEHKIRRSA-N 2 1 244.448 2.448 20 0 BEADMP C(C1CC1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246433211 374260519 /nfs/dbraw/zinc/26/05/19/374260519.db2.gz CSKBTEYENJBTKP-DZGCQCFKSA-N 2 1 234.387 2.345 20 0 BEADMP C(C1CC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246433211 374260523 /nfs/dbraw/zinc/26/05/23/374260523.db2.gz CSKBTEYENJBTKP-DZGCQCFKSA-N 2 1 234.387 2.345 20 0 BEADMP C(C1CC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246433211 374260529 /nfs/dbraw/zinc/26/05/29/374260529.db2.gz CSKBTEYENJBTKP-DZGCQCFKSA-N 2 1 234.387 2.345 20 0 BEADMP CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246559593 374273545 /nfs/dbraw/zinc/27/35/45/374273545.db2.gz KUKRNAUGFUSGAA-GXTWGEPZSA-N 2 1 222.376 2.345 20 0 BEADMP CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246559593 374273552 /nfs/dbraw/zinc/27/35/52/374273552.db2.gz KUKRNAUGFUSGAA-GXTWGEPZSA-N 2 1 222.376 2.345 20 0 BEADMP CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246559593 374273555 /nfs/dbraw/zinc/27/35/55/374273555.db2.gz KUKRNAUGFUSGAA-GXTWGEPZSA-N 2 1 222.376 2.345 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CCC1 ZINC000156880774 206076590 /nfs/dbraw/zinc/07/65/90/206076590.db2.gz OPIWKEYDFFVUAA-NTZNESFSSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CCC1 ZINC000156880774 206076593 /nfs/dbraw/zinc/07/65/93/206076593.db2.gz OPIWKEYDFFVUAA-NTZNESFSSA-N 2 1 210.365 2.247 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCC2)[C@H](C)C1 ZINC000166956050 206141497 /nfs/dbraw/zinc/14/14/97/206141497.db2.gz DLVDLELQCTZUIC-YPMHNXCESA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178972789 134314023 /nfs/dbraw/zinc/31/40/23/134314023.db2.gz UZCCXRFDIFCJRS-CQSZACIVSA-N 2 1 224.392 2.354 20 0 BEADMP CCC[N@H+](CC)CCNc1cc(C)[nH+]c(C)n1 ZINC000189456697 169122181 /nfs/dbraw/zinc/12/21/81/169122181.db2.gz ZXLKZCCZAQWXRC-UHFFFAOYSA-N 2 1 236.363 2.237 20 0 BEADMP CCC[N@@H+](CC)CCNc1cc(C)[nH+]c(C)n1 ZINC000189456697 169122184 /nfs/dbraw/zinc/12/21/84/169122184.db2.gz ZXLKZCCZAQWXRC-UHFFFAOYSA-N 2 1 236.363 2.237 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCC1(C)C ZINC000308848943 169123599 /nfs/dbraw/zinc/12/35/99/169123599.db2.gz QMTFVTPMPDQYLD-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCC1(C)C ZINC000308848943 169123600 /nfs/dbraw/zinc/12/36/00/169123600.db2.gz QMTFVTPMPDQYLD-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000308812696 169123619 /nfs/dbraw/zinc/12/36/19/169123619.db2.gz AAKUPAPTMLOFPY-RWMBFGLXSA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000308812696 169123620 /nfs/dbraw/zinc/12/36/20/169123620.db2.gz AAKUPAPTMLOFPY-RWMBFGLXSA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)Nc1cc[nH+]cc1C ZINC000357794720 169127739 /nfs/dbraw/zinc/12/77/39/169127739.db2.gz CRHLVRKPGDPNFD-ZDUSSCGKSA-N 2 1 235.375 2.344 20 0 BEADMP CCC[N@@H+](C[C@H]1CCCCO1)C1CC[NH2+]CC1 ZINC000037539187 169172376 /nfs/dbraw/zinc/17/23/76/169172376.db2.gz BUURVQQERXDXKB-CQSZACIVSA-N 2 1 240.391 2.020 20 0 BEADMP CCC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000036883452 169155911 /nfs/dbraw/zinc/15/59/11/169155911.db2.gz RPCAZXDMNFBHKB-UHFFFAOYSA-N 2 1 206.333 2.247 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000336776981 169196550 /nfs/dbraw/zinc/19/65/50/169196550.db2.gz HBYYCUYHVZFPLB-QWHCGFSZSA-N 2 1 242.432 2.204 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000336776981 169196551 /nfs/dbraw/zinc/19/65/51/169196551.db2.gz HBYYCUYHVZFPLB-QWHCGFSZSA-N 2 1 242.432 2.204 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CC(C)(C)C ZINC000309039324 169199401 /nfs/dbraw/zinc/19/94/01/169199401.db2.gz KFIOMUNBMIJCQS-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CC(C)(C)C ZINC000309039324 169199402 /nfs/dbraw/zinc/19/94/02/169199402.db2.gz KFIOMUNBMIJCQS-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000309899563 169200301 /nfs/dbraw/zinc/20/03/01/169200301.db2.gz HBYYCUYHVZFPLB-STQMWFEESA-N 2 1 242.432 2.204 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000309899563 169200303 /nfs/dbraw/zinc/20/03/03/169200303.db2.gz HBYYCUYHVZFPLB-STQMWFEESA-N 2 1 242.432 2.204 20 0 BEADMP CCC[N@H+](Cc1ccccn1)C1CC[NH2+]CC1 ZINC000037539276 169179722 /nfs/dbraw/zinc/17/97/22/169179722.db2.gz VDXHMDOXGWZSRE-UHFFFAOYSA-N 2 1 233.359 2.046 20 0 BEADMP CCC[N@@H+](Cc1ccccn1)C1CC[NH2+]CC1 ZINC000037539276 169179724 /nfs/dbraw/zinc/17/97/24/169179724.db2.gz VDXHMDOXGWZSRE-UHFFFAOYSA-N 2 1 233.359 2.046 20 0 BEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cnccc2C)C1 ZINC000279942746 169207981 /nfs/dbraw/zinc/20/79/81/169207981.db2.gz NXLLCPZQJKHHHQ-CQSZACIVSA-N 2 1 247.386 2.212 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cnccc2C)C1 ZINC000279942746 169207983 /nfs/dbraw/zinc/20/79/83/169207983.db2.gz NXLLCPZQJKHHHQ-CQSZACIVSA-N 2 1 247.386 2.212 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)C1 ZINC000309976875 169208021 /nfs/dbraw/zinc/20/80/21/169208021.db2.gz UBJWWFHJAFZJFP-IGQOVBAYSA-N 2 1 224.392 2.352 20 0 BEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2occc2C)C1 ZINC000266197320 169208161 /nfs/dbraw/zinc/20/81/61/169208161.db2.gz KJNJTKWDROOPFE-CYBMUJFWSA-N 2 1 236.359 2.410 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2occc2C)C1 ZINC000266197320 169208163 /nfs/dbraw/zinc/20/81/63/169208163.db2.gz KJNJTKWDROOPFE-CYBMUJFWSA-N 2 1 236.359 2.410 20 0 BEADMP c1cc(C2CC2)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000094522264 183335126 /nfs/dbraw/zinc/33/51/26/183335126.db2.gz AGCJSMGVIZUXAH-IYBDPMFKSA-N 2 1 242.366 2.215 20 0 BEADMP c1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000035054366 183393720 /nfs/dbraw/zinc/39/37/20/183393720.db2.gz CPJJQHTYGBMCMD-UHFFFAOYSA-N 2 1 244.382 2.446 20 0 BEADMP c1ccc(C[N@H+](CC2CC[NH2+]CC2)C2CC2)nc1 ZINC000094021673 183396105 /nfs/dbraw/zinc/39/61/05/183396105.db2.gz WVLINNTWASIGNE-UHFFFAOYSA-N 2 1 245.370 2.046 20 0 BEADMP CCC[C@@H](C)[N@H+](C)CCn1cc[nH+]c1C ZINC000270800372 169365847 /nfs/dbraw/zinc/36/58/47/169365847.db2.gz FFZLBNVDDUPXSK-LLVKDONJSA-N 2 1 209.337 2.312 20 0 BEADMP CCC[C@@H](C)[N@@H+](C)CCn1cc[nH+]c1C ZINC000270800372 169365848 /nfs/dbraw/zinc/36/58/48/169365848.db2.gz FFZLBNVDDUPXSK-LLVKDONJSA-N 2 1 209.337 2.312 20 0 BEADMP CCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020523812 169369399 /nfs/dbraw/zinc/36/93/99/169369399.db2.gz CPXDLEUJNIEIRU-ODWCKFRGSA-N 2 1 210.365 2.390 20 0 BEADMP CCC[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140930 169369855 /nfs/dbraw/zinc/36/98/55/169369855.db2.gz ICAAEAVMQFIQQM-LLVKDONJSA-N 2 1 210.365 2.391 20 0 BEADMP CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037485343 169370062 /nfs/dbraw/zinc/37/00/62/169370062.db2.gz KLFYBJYPRHYDQQ-NEPJUHHUSA-N 2 1 210.365 2.249 20 0 BEADMP CCC[C@@H](C)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366486239 169358925 /nfs/dbraw/zinc/35/89/25/169358925.db2.gz CYEZBPYVHDEVDI-ZIAGYGMSSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[C@@H](C)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366486239 169358926 /nfs/dbraw/zinc/35/89/26/169358926.db2.gz CYEZBPYVHDEVDI-ZIAGYGMSSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[C@@H](C)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366486239 169358927 /nfs/dbraw/zinc/35/89/27/169358927.db2.gz CYEZBPYVHDEVDI-ZIAGYGMSSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[C@@H](C)[NH2+][C@@H](C)C[NH+](CC)CC ZINC000045689634 169371037 /nfs/dbraw/zinc/37/10/37/169371037.db2.gz YHERBNPYOVUDLK-NEPJUHHUSA-N 2 1 200.370 2.495 20 0 BEADMP c1ccc(C[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC000059822929 1172578182 /nfs/dbraw/zinc/57/81/82/1172578182.db2.gz BVLLQLZTNONJDP-UHFFFAOYSA-N 2 1 230.355 2.357 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000560110475 383910124 /nfs/dbraw/zinc/91/01/24/383910124.db2.gz AOLAXSFELNFMCO-YIYPIFLZSA-N 2 1 242.407 2.262 20 0 BEADMP CCc1cc(NCC[NH+](CC)CC)nc(C)[nH+]1 ZINC000088760105 383922906 /nfs/dbraw/zinc/92/29/06/383922906.db2.gz SVGWAUPIMFOUSF-UHFFFAOYSA-N 2 1 236.363 2.101 20 0 BEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000070533447 383934357 /nfs/dbraw/zinc/93/43/57/383934357.db2.gz LNAOIVGFHGQXQY-ZDUSSCGKSA-N 2 1 210.365 2.237 20 0 BEADMP CCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000560336451 384075344 /nfs/dbraw/zinc/07/53/44/384075344.db2.gz DBUKTMJPWMZBNQ-UHFFFAOYSA-N 2 1 212.381 2.449 20 0 BEADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)C1CCCCC1 ZINC000087472221 384150589 /nfs/dbraw/zinc/15/05/89/384150589.db2.gz DVSFWGVPIFANTB-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP Cc1sccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000293963393 384151842 /nfs/dbraw/zinc/15/18/42/384151842.db2.gz CPWFHQFGAOCLBN-UHFFFAOYSA-N 2 1 224.373 2.240 20 0 BEADMP Cc1cc(C)c(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1C ZINC000235343544 384153720 /nfs/dbraw/zinc/15/37/20/384153720.db2.gz AAVRBUQDCBTXEC-HIFRSBDPSA-N 2 1 232.371 2.391 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1C ZINC000235343544 384153723 /nfs/dbraw/zinc/15/37/23/384153723.db2.gz AAVRBUQDCBTXEC-HIFRSBDPSA-N 2 1 232.371 2.391 20 0 BEADMP C[NH2+]CCC[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000309636648 384185047 /nfs/dbraw/zinc/18/50/47/384185047.db2.gz MYGIERPFAZSWBT-FRRDWIJNSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000163242840 384188979 /nfs/dbraw/zinc/18/89/79/384188979.db2.gz IIJKKCIRIWDQBE-BLLLJJGKSA-N 2 1 244.382 2.344 20 0 BEADMP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000224187402 384232202 /nfs/dbraw/zinc/23/22/02/384232202.db2.gz IGLCJYOXIZKHDQ-CHWSQXEVSA-N 2 1 204.317 2.171 20 0 BEADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC000224187402 384232207 /nfs/dbraw/zinc/23/22/07/384232207.db2.gz IGLCJYOXIZKHDQ-CHWSQXEVSA-N 2 1 204.317 2.171 20 0 BEADMP Cc1ccoc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000093089169 384210242 /nfs/dbraw/zinc/21/02/42/384210242.db2.gz SKUILBTYUBOPCI-UHFFFAOYSA-N 2 1 236.359 2.362 20 0 BEADMP CC[C@@H](C)[N@H+](C)CCNc1cc(C)[nH+]c(C)n1 ZINC000132306769 384225220 /nfs/dbraw/zinc/22/52/20/384225220.db2.gz XAPWTKVPYNSQNP-LLVKDONJSA-N 2 1 236.363 2.236 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CCNc1cc(C)[nH+]c(C)n1 ZINC000132306769 384225224 /nfs/dbraw/zinc/22/52/24/384225224.db2.gz XAPWTKVPYNSQNP-LLVKDONJSA-N 2 1 236.363 2.236 20 0 BEADMP CC[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]CC1 ZINC000113712501 384261011 /nfs/dbraw/zinc/26/10/11/384261011.db2.gz BAYXAEPCUIDNRS-CQSZACIVSA-N 2 1 233.359 2.046 20 0 BEADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)C1CC1 ZINC000083055766 384278475 /nfs/dbraw/zinc/27/84/75/384278475.db2.gz VUYRASPLMBSCHC-CYBMUJFWSA-N 2 1 210.365 2.249 20 0 BEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCSC)C1 ZINC000174215593 384307625 /nfs/dbraw/zinc/30/76/25/384307625.db2.gz YQLDJDBBVBVYGW-ZDUSSCGKSA-N 2 1 244.448 2.403 20 0 BEADMP CSCCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000119847002 384307859 /nfs/dbraw/zinc/30/78/59/384307859.db2.gz ZFECGXRTHSTYCR-UHFFFAOYSA-N 2 1 241.404 2.267 20 0 BEADMP CSCCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000119847002 384307862 /nfs/dbraw/zinc/30/78/62/384307862.db2.gz ZFECGXRTHSTYCR-UHFFFAOYSA-N 2 1 241.404 2.267 20 0 BEADMP CSCC[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000119975512 384322616 /nfs/dbraw/zinc/32/26/16/384322616.db2.gz PLYQLPCKNDMLQN-RYUDHWBXSA-N 2 1 239.388 2.129 20 0 BEADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccccc1N(C)C ZINC000093941151 384284182 /nfs/dbraw/zinc/28/41/82/384284182.db2.gz QVKQKJWILYQWOO-ZDUSSCGKSA-N 2 1 249.402 2.355 20 0 BEADMP CSCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000173962693 384291579 /nfs/dbraw/zinc/29/15/79/384291579.db2.gz NDCZETXQLAABOW-GFCCVEGCSA-N 2 1 230.421 2.156 20 0 BEADMP CSCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000173962693 384291586 /nfs/dbraw/zinc/29/15/86/384291586.db2.gz NDCZETXQLAABOW-GFCCVEGCSA-N 2 1 230.421 2.156 20 0 BEADMP CSCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000173962693 384291590 /nfs/dbraw/zinc/29/15/90/384291590.db2.gz NDCZETXQLAABOW-GFCCVEGCSA-N 2 1 230.421 2.156 20 0 BEADMP CCC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000174513606 384338366 /nfs/dbraw/zinc/33/83/66/384338366.db2.gz DLEFOXAYHPBHOM-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCOC)[C@H](C)C1 ZINC000174776562 384363842 /nfs/dbraw/zinc/36/38/42/384363842.db2.gz SUWBYOYSPVASLV-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCOC)[C@H](C)C1 ZINC000174776562 384363846 /nfs/dbraw/zinc/36/38/46/384363846.db2.gz SUWBYOYSPVASLV-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCOC)[C@H](C)C1 ZINC000174776562 384363848 /nfs/dbraw/zinc/36/38/48/384363848.db2.gz SUWBYOYSPVASLV-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP Cc1cc[nH+]c(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000292826370 384415588 /nfs/dbraw/zinc/41/55/88/384415588.db2.gz PHEHUSYEFVZXAS-HNNXBMFYSA-N 2 1 245.370 2.312 20 0 BEADMP Cc1cc[nH+]c(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000292826370 384415591 /nfs/dbraw/zinc/41/55/91/384415591.db2.gz PHEHUSYEFVZXAS-HNNXBMFYSA-N 2 1 245.370 2.312 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000335602284 384377670 /nfs/dbraw/zinc/37/76/70/384377670.db2.gz GALCLFZUKGVOQX-ZDUSSCGKSA-N 2 1 222.376 2.417 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCC23CCC3)CC1 ZINC000335602320 384378770 /nfs/dbraw/zinc/37/87/70/384378770.db2.gz QCMMQMGGPVTGSN-ZDUSSCGKSA-N 2 1 220.360 2.171 20 0 BEADMP CC[C@@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000181125401 384449385 /nfs/dbraw/zinc/44/93/85/384449385.db2.gz VLPCHWUILSCCGW-GFCCVEGCSA-N 2 1 235.375 2.473 20 0 BEADMP CC[C@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000181125415 384449485 /nfs/dbraw/zinc/44/94/85/384449485.db2.gz VLPCHWUILSCCGW-LBPRGKRZSA-N 2 1 235.375 2.473 20 0 BEADMP Cn1c[nH+]cc1CCC[N@H+](C)C1CC(C)(C)C1 ZINC000568180871 384465965 /nfs/dbraw/zinc/46/59/65/384465965.db2.gz FAFMAZSBXAKDEE-UHFFFAOYSA-N 2 1 235.375 2.473 20 0 BEADMP Cn1c[nH+]cc1CCC[N@@H+](C)C1CC(C)(C)C1 ZINC000568180871 384465969 /nfs/dbraw/zinc/46/59/69/384465969.db2.gz FAFMAZSBXAKDEE-UHFFFAOYSA-N 2 1 235.375 2.473 20 0 BEADMP C[N@@H+](CC1CC[NH2+]CC1)C1CC(C)(C)C1 ZINC000335662071 384467155 /nfs/dbraw/zinc/46/71/55/384467155.db2.gz DWLVZNDIKNJSPX-UHFFFAOYSA-N 2 1 210.365 2.106 20 0 BEADMP CCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037485344 384507379 /nfs/dbraw/zinc/50/73/79/384507379.db2.gz KLFYBJYPRHYDQQ-RYUDHWBXSA-N 2 1 210.365 2.249 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647181547 384562941 /nfs/dbraw/zinc/56/29/41/384562941.db2.gz GOPHUMKFHGWHGN-NSHDSACASA-N 2 1 246.345 2.496 20 0 BEADMP CC(C)(C)CCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643065991 384579855 /nfs/dbraw/zinc/57/98/55/384579855.db2.gz JENPIFKLBFQMOD-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)(C)CCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643065991 384579864 /nfs/dbraw/zinc/57/98/64/384579864.db2.gz JENPIFKLBFQMOD-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CCC(C)(C)CC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643066271 384580218 /nfs/dbraw/zinc/58/02/18/384580218.db2.gz MHZXYAJAPCAKDU-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643066271 384580221 /nfs/dbraw/zinc/58/02/21/384580221.db2.gz MHZXYAJAPCAKDU-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000355107484 384584240 /nfs/dbraw/zinc/58/42/40/384584240.db2.gz NSPOKMZBCCOVFJ-AGIUHOORSA-N 2 1 210.365 2.234 20 0 BEADMP CC(C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344670 384603393 /nfs/dbraw/zinc/60/33/93/384603393.db2.gz WOUOLCMTHHNEMF-CABCVRRESA-N 2 1 232.371 2.330 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CCC1CC1 ZINC000336746528 384603901 /nfs/dbraw/zinc/60/39/01/384603901.db2.gz RLSHSJLSDMRUFT-LLVKDONJSA-N 2 1 221.348 2.360 20 0 BEADMP Cc1nc(C)c(C[NH2+]C[C@H](C)C[NH+](C)C)s1 ZINC000309786084 384607846 /nfs/dbraw/zinc/60/78/46/384607846.db2.gz SOUWZGRPSYDECY-VIFPVBQESA-N 2 1 241.404 2.047 20 0 BEADMP CC(C)COCC[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000315843987 384617844 /nfs/dbraw/zinc/61/78/44/384617844.db2.gz FTXRWCCOGYOQKM-IHRRRGAJSA-N 2 1 242.407 2.107 20 0 BEADMP CC(C)COCC[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000315843987 384617846 /nfs/dbraw/zinc/61/78/46/384617846.db2.gz FTXRWCCOGYOQKM-IHRRRGAJSA-N 2 1 242.407 2.107 20 0 BEADMP C1[C@@H]2CC[C@@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C[C@H]12 ZINC000403313573 384629372 /nfs/dbraw/zinc/62/93/72/384629372.db2.gz BLUKRLYVRXPGGA-VQJWOFKYSA-N 2 1 234.387 2.391 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CC(C)(C)C)C1 ZINC000041051477 384595094 /nfs/dbraw/zinc/59/50/94/384595094.db2.gz HBOUDVZSGHDZKQ-GFCCVEGCSA-N 2 1 212.381 2.352 20 0 BEADMP C[N@@H+](CCn1ccnc1)C1CCCCC1 ZINC000124671460 384668948 /nfs/dbraw/zinc/66/89/48/384668948.db2.gz KYAGXZOSKWBUOX-UHFFFAOYSA-N 2 1 207.321 2.148 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC000044536038 384656785 /nfs/dbraw/zinc/65/67/85/384656785.db2.gz MRUBQZFBAMDXFZ-LBPRGKRZSA-N 2 1 212.381 2.354 20 0 BEADMP CSCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000309935864 384725046 /nfs/dbraw/zinc/72/50/46/384725046.db2.gz ZTBPYAGZZOTQGY-UPJWGTAASA-N 2 1 242.432 2.202 20 0 BEADMP C[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300358200 384684222 /nfs/dbraw/zinc/68/42/22/384684222.db2.gz CTXGMSAWONUCHY-OPRDCNLKSA-N 2 1 238.297 2.400 20 0 BEADMP C[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300358200 384684227 /nfs/dbraw/zinc/68/42/27/384684227.db2.gz CTXGMSAWONUCHY-OPRDCNLKSA-N 2 1 238.297 2.400 20 0 BEADMP C(C1CC1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544066 384715199 /nfs/dbraw/zinc/71/51/99/384715199.db2.gz VZNMMOGASAABMA-KGLIPLIRSA-N 2 1 222.376 2.108 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)c(C)c1 ZINC000647548752 384741048 /nfs/dbraw/zinc/74/10/48/384741048.db2.gz SMPFDUKKPCGUIN-BBRMVZONSA-N 2 1 246.398 2.434 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000647548964 384744493 /nfs/dbraw/zinc/74/44/93/384744493.db2.gz CBJDRBRDDHYCPT-AEGPPILISA-N 2 1 244.382 2.304 20 0 BEADMP C[C@H]([NH2+]CC[NH3+])C1CCC(C(F)(F)F)CC1 ZINC000423192541 384746897 /nfs/dbraw/zinc/74/68/97/384746897.db2.gz VVBBXHGWTWLJHV-IDKOKCKLSA-N 2 1 238.297 2.292 20 0 BEADMP Cc1cccc(C)c1CC[NH2+][C@H]1CNC[C@@H](C)C1 ZINC000647549638 384747723 /nfs/dbraw/zinc/74/77/23/384747723.db2.gz KSCYUMTVCJUVAR-SWLSCSKDSA-N 2 1 246.398 2.434 20 0 BEADMP Cc1cccc(C)c1CC[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647549638 384747731 /nfs/dbraw/zinc/74/77/31/384747731.db2.gz KSCYUMTVCJUVAR-SWLSCSKDSA-N 2 1 246.398 2.434 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CC1(C)C ZINC000397596463 384755117 /nfs/dbraw/zinc/75/51/17/384755117.db2.gz KIGJCEIXIAHZAF-OUCADQQQSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CC1(C)C ZINC000397596467 384756848 /nfs/dbraw/zinc/75/68/48/384756848.db2.gz KIGJCEIXIAHZAF-SGMGOOAPSA-N 2 1 236.403 2.495 20 0 BEADMP Cc1ccc(F)cc1C[NH2+]CCC[NH+](C)C ZINC000083353579 384761737 /nfs/dbraw/zinc/76/17/37/384761737.db2.gz QTQKYDILHFQVLF-UHFFFAOYSA-N 2 1 224.323 2.175 20 0 BEADMP CC(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000375852032 384826494 /nfs/dbraw/zinc/82/64/94/384826494.db2.gz NBBOPOWNCLCSCR-MCIONIFRSA-N 2 1 224.392 2.495 20 0 BEADMP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000107786774 384782865 /nfs/dbraw/zinc/78/28/65/384782865.db2.gz LLTOZJYRRUBMFE-SMDDNHRTSA-N 2 1 236.359 2.329 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000107786844 384783350 /nfs/dbraw/zinc/78/33/50/384783350.db2.gz AJGCVWLEVXLQSQ-CMPLNLGQSA-N 2 1 222.332 2.083 20 0 BEADMP [NH3+]C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)C1CC1 ZINC000423284566 384789642 /nfs/dbraw/zinc/78/96/42/384789642.db2.gz WXLHGBBRKITVIU-UONOGXRCSA-N 2 1 234.318 2.140 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC000564826215 384792781 /nfs/dbraw/zinc/79/27/81/384792781.db2.gz FJUYEEDCKBSWRD-JQWIXIFHSA-N 2 1 210.365 2.010 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403677729 384850576 /nfs/dbraw/zinc/85/05/76/384850576.db2.gz PLNXXFYURNBWPU-QLFBSQMISA-N 2 1 234.387 2.274 20 0 BEADMP CC[C@@H](C)C[NH2+]CC[N@H+](CC)C(C)C ZINC000308600597 384856197 /nfs/dbraw/zinc/85/61/97/384856197.db2.gz OFKAMSSXTCCCBC-GFCCVEGCSA-N 2 1 200.370 2.352 20 0 BEADMP CC[C@@H](C)C[NH2+]CC[N@@H+](CC)C(C)C ZINC000308600597 384856200 /nfs/dbraw/zinc/85/62/00/384856200.db2.gz OFKAMSSXTCCCBC-GFCCVEGCSA-N 2 1 200.370 2.352 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCC2(C)C)C1 ZINC000086857122 384893643 /nfs/dbraw/zinc/89/36/43/384893643.db2.gz DTPQYFLXSWBZLC-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000049708895 384897668 /nfs/dbraw/zinc/89/76/68/384897668.db2.gz MMYZMMWCQQINKD-GXTWGEPZSA-N 2 1 218.344 2.307 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(F)c1 ZINC000049710178 384898618 /nfs/dbraw/zinc/89/86/18/384898618.db2.gz SKEHZVGUWKIZBC-ZWNOBZJWSA-N 2 1 222.307 2.137 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(F)c1 ZINC000049710178 384898623 /nfs/dbraw/zinc/89/86/23/384898623.db2.gz SKEHZVGUWKIZBC-ZWNOBZJWSA-N 2 1 222.307 2.137 20 0 BEADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@@H](C)C1(C)CC1 ZINC000127638836 384908294 /nfs/dbraw/zinc/90/82/94/384908294.db2.gz ZSASOVXGKXGCHO-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)[C@H]1CCOC1 ZINC000336677870 384925921 /nfs/dbraw/zinc/92/59/21/384925921.db2.gz ACJJZFMAPUDDDQ-KBPBESRZSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)(C)[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000257777262 384926545 /nfs/dbraw/zinc/92/65/45/384926545.db2.gz MRQDOHUKJVNXEE-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)(C)[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000257777263 384927175 /nfs/dbraw/zinc/92/71/75/384927175.db2.gz MRQDOHUKJVNXEE-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccoc1 ZINC000087290076 384936421 /nfs/dbraw/zinc/93/64/21/384936421.db2.gz GIVRKPQGKQCSNU-NWDGAFQWSA-N 2 1 222.332 2.272 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccoc1 ZINC000087290076 384936436 /nfs/dbraw/zinc/93/64/36/384936436.db2.gz GIVRKPQGKQCSNU-NWDGAFQWSA-N 2 1 222.332 2.272 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccoc1 ZINC000087290076 384936440 /nfs/dbraw/zinc/93/64/40/384936440.db2.gz GIVRKPQGKQCSNU-NWDGAFQWSA-N 2 1 222.332 2.272 20 0 BEADMP CSc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000258903045 384944731 /nfs/dbraw/zinc/94/47/31/384944731.db2.gz HRLDCKJGXCJPTA-STQMWFEESA-N 2 1 236.384 2.378 20 0 BEADMP CCc1ccc(CC[N@@H+](C)CCC[NH2+]C)cc1 ZINC000258854276 384948010 /nfs/dbraw/zinc/94/80/10/384948010.db2.gz XUSLXPQHHISEGE-UHFFFAOYSA-N 2 1 234.387 2.333 20 0 BEADMP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1F ZINC000258855691 384948048 /nfs/dbraw/zinc/94/80/48/384948048.db2.gz FICYNYOHUHFPFS-ZIAGYGMSSA-N 2 1 236.334 2.494 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCCCO2)[C@@H]1CC[NH3+] ZINC000404281181 384965801 /nfs/dbraw/zinc/96/58/01/384965801.db2.gz FAWRGGXLJSPLQP-MGPQQGTHSA-N 2 1 240.391 2.005 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)C2CC2)[C@H](C)C1 ZINC000177387002 384992226 /nfs/dbraw/zinc/99/22/26/384992226.db2.gz KAAVRKKGRUQBIK-MDZLAQPJSA-N 2 1 210.365 2.105 20 0 BEADMP C[NH+](C)CCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000128151829 385004628 /nfs/dbraw/zinc/00/46/28/385004628.db2.gz ZLJMGPFANBISRA-AWEZNQCLSA-N 2 1 236.334 2.354 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(F)ccc2C)C1 ZINC000157073783 385062566 /nfs/dbraw/zinc/06/25/66/385062566.db2.gz ZGFMBBAOHGZPPV-GFCCVEGCSA-N 2 1 236.334 2.175 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(F)ccc2C)C1 ZINC000157073783 385062570 /nfs/dbraw/zinc/06/25/70/385062570.db2.gz ZGFMBBAOHGZPPV-GFCCVEGCSA-N 2 1 236.334 2.175 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000157085177 385063900 /nfs/dbraw/zinc/06/39/00/385063900.db2.gz MPFLJVRKQUVRSD-BXUZGUMPSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000157085177 385063906 /nfs/dbraw/zinc/06/39/06/385063906.db2.gz MPFLJVRKQUVRSD-BXUZGUMPSA-N 2 1 236.334 2.303 20 0 BEADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000340464313 385065215 /nfs/dbraw/zinc/06/52/15/385065215.db2.gz SPVKTRBFSQTGLH-RVMXOQNASA-N 2 1 228.355 2.197 20 0 BEADMP CCC[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000308754186 385073051 /nfs/dbraw/zinc/07/30/51/385073051.db2.gz VRCPNRKLDBKAGD-RYUDHWBXSA-N 2 1 200.370 2.493 20 0 BEADMP CCC[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000308754186 385073058 /nfs/dbraw/zinc/07/30/58/385073058.db2.gz VRCPNRKLDBKAGD-RYUDHWBXSA-N 2 1 200.370 2.493 20 0 BEADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccccc1F ZINC000404806682 385077726 /nfs/dbraw/zinc/07/77/26/385077726.db2.gz ZCMRCCVHDHZRGY-VXGBXAGGSA-N 2 1 222.307 2.041 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)C1CC1 ZINC000165372707 385116227 /nfs/dbraw/zinc/11/62/27/385116227.db2.gz AYYIPKZDAMDRSS-LLVKDONJSA-N 2 1 221.348 2.360 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1C ZINC000227055365 385085273 /nfs/dbraw/zinc/08/52/73/385085273.db2.gz NWERWQIKMPZRGH-DZGCQCFKSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1C ZINC000227055374 385085687 /nfs/dbraw/zinc/08/56/87/385085687.db2.gz NWERWQIKMPZRGH-ZFWWWQNUSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1F ZINC000227056815 385086175 /nfs/dbraw/zinc/08/61/75/385086175.db2.gz NBEMEEUMRNYEJA-FZMZJTMJSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1F ZINC000227056815 385086179 /nfs/dbraw/zinc/08/61/79/385086179.db2.gz NBEMEEUMRNYEJA-FZMZJTMJSA-N 2 1 236.334 2.303 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC23CC3)[C@H]2CCC[C@@H]21 ZINC000424321269 385160297 /nfs/dbraw/zinc/16/02/97/385160297.db2.gz KCMFLPRVTBXEMI-MROQNXINSA-N 2 1 220.360 2.001 20 0 BEADMP C[C@@H](c1ccncc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000644784183 385170585 /nfs/dbraw/zinc/17/05/85/385170585.db2.gz IRRRTCSORHGISY-ZFWWWQNUSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@@H](c1ccncc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000644784183 385170593 /nfs/dbraw/zinc/17/05/93/385170593.db2.gz IRRRTCSORHGISY-ZFWWWQNUSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@@H](c1ccncc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000644784183 385170596 /nfs/dbraw/zinc/17/05/96/385170596.db2.gz IRRRTCSORHGISY-ZFWWWQNUSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@@H](c1ccncc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000644784183 385170603 /nfs/dbraw/zinc/17/06/03/385170603.db2.gz IRRRTCSORHGISY-ZFWWWQNUSA-N 2 1 245.370 2.170 20 0 BEADMP Cc1ncccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647483061 385207032 /nfs/dbraw/zinc/20/70/32/385207032.db2.gz WDMCBSNLSBXABY-UHFFFAOYSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1ncccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647483061 385207033 /nfs/dbraw/zinc/20/70/33/385207033.db2.gz WDMCBSNLSBXABY-UHFFFAOYSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)nc1 ZINC000647482714 385210502 /nfs/dbraw/zinc/21/05/02/385210502.db2.gz ZUQBWDXSTKPWKN-UHFFFAOYSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)nc1 ZINC000647482714 385210508 /nfs/dbraw/zinc/21/05/08/385210508.db2.gz ZUQBWDXSTKPWKN-UHFFFAOYSA-N 2 1 245.370 2.106 20 0 BEADMP C[N@H+]1C[C@@H](C[NH2+]CC2CC2)[C@H](c2ccccc2)C1 ZINC000647248817 385212709 /nfs/dbraw/zinc/21/27/09/385212709.db2.gz IJQWATRXINEEAA-CVEARBPZSA-N 2 1 244.382 2.331 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H](C)C1CCC1 ZINC000178231685 385214140 /nfs/dbraw/zinc/21/41/40/385214140.db2.gz JCJIFHNONZRQMB-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)C1CCC1 ZINC000178231685 385214143 /nfs/dbraw/zinc/21/41/43/385214143.db2.gz JCJIFHNONZRQMB-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000252713515 385217271 /nfs/dbraw/zinc/21/72/71/385217271.db2.gz PKIHKCWZYWMVAU-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCC12CCCCC2 ZINC000313037794 385230860 /nfs/dbraw/zinc/23/08/60/385230860.db2.gz VGVBEDHRRHULNU-NEPJUHHUSA-N 2 1 210.365 2.426 20 0 BEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)C(C)C ZINC000167306387 385309365 /nfs/dbraw/zinc/30/93/65/385309365.db2.gz SIAQOTCTOAKVRD-RYUDHWBXSA-N 2 1 223.364 2.462 20 0 BEADMP C[C@]1(C[N@H+]2CCC[C@@H]3CCC[C@H]32)CC[NH2+]C1 ZINC000228026577 385315395 /nfs/dbraw/zinc/31/53/95/385315395.db2.gz OQVPWCOLWYBJOC-MJBXVCDLSA-N 2 1 222.376 2.251 20 0 BEADMP CCc1cc(NC[C@@H](C)[N@H+](C)C2CC2)nc(C)[nH+]1 ZINC000227865333 385264785 /nfs/dbraw/zinc/26/47/85/385264785.db2.gz DMQGWXXNDQFYMK-SNVBAGLBSA-N 2 1 248.374 2.242 20 0 BEADMP CCc1cc(NC[C@@H](C)[N@@H+](C)C2CC2)nc(C)[nH+]1 ZINC000227865333 385264790 /nfs/dbraw/zinc/26/47/90/385264790.db2.gz DMQGWXXNDQFYMK-SNVBAGLBSA-N 2 1 248.374 2.242 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000034264456 385276941 /nfs/dbraw/zinc/27/69/41/385276941.db2.gz FOSNQWWFKGJNOZ-CQSZACIVSA-N 2 1 218.344 2.070 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C2CCC2)C1 ZINC000178510410 385290686 /nfs/dbraw/zinc/29/06/86/385290686.db2.gz SDQJFFZKWWRFBI-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCCOC ZINC000178502617 385292121 /nfs/dbraw/zinc/29/21/21/385292121.db2.gz LPOMWDGMTQPBRF-STQMWFEESA-N 2 1 230.396 2.121 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCCOC ZINC000178502617 385292128 /nfs/dbraw/zinc/29/21/28/385292128.db2.gz LPOMWDGMTQPBRF-STQMWFEESA-N 2 1 230.396 2.121 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]C2CCCCC2)CC1 ZINC000308944123 385300011 /nfs/dbraw/zinc/30/00/11/385300011.db2.gz NCFQZKBGMKNGHV-UHFFFAOYSA-N 2 1 208.349 2.171 20 0 BEADMP C[C@@H]([NH2+]CCC[NH3+])c1c(F)cccc1Cl ZINC000308979013 385331689 /nfs/dbraw/zinc/33/16/89/385331689.db2.gz DCRDVHMUWFEOPR-MRVPVSSYSA-N 2 1 230.714 2.479 20 0 BEADMP CC(C)CCC[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000309009695 385359107 /nfs/dbraw/zinc/35/91/07/385359107.db2.gz RHJKAEBRHMOWSG-UHFFFAOYSA-N 2 1 210.365 2.274 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000228203217 385362983 /nfs/dbraw/zinc/36/29/83/385362983.db2.gz NPBQKRQRYPCKBR-KBPBESRZSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1cc(C)cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000228201036 385363537 /nfs/dbraw/zinc/36/35/37/385363537.db2.gz RBLQPORCPZTZAD-DZGCQCFKSA-N 2 1 232.371 2.473 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CC1(C)C ZINC000309017188 385371130 /nfs/dbraw/zinc/37/11/30/385371130.db2.gz UWRHPWDTHAZJAK-PWSUYJOCSA-N 2 1 210.365 2.105 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000228078912 385327737 /nfs/dbraw/zinc/32/77/37/385327737.db2.gz DJCRXGQGHNOFAK-KGLIPLIRSA-N 2 1 232.371 2.473 20 0 BEADMP CC(C)(C)CCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309339103 385539203 /nfs/dbraw/zinc/53/92/03/385539203.db2.gz KGRPNFROILTXGK-QWHCGFSZSA-N 2 1 224.392 2.354 20 0 BEADMP CC(C)(C)CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000309388807 385560073 /nfs/dbraw/zinc/56/00/73/385560073.db2.gz SPOTUJVGAJGNGR-AVGNSLFASA-N 2 1 224.392 2.482 20 0 BEADMP CC1(C)CC([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000309396385 385561452 /nfs/dbraw/zinc/56/14/52/385561452.db2.gz GQSOAXOGHVZGDQ-UHFFFAOYSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccnc1 ZINC000181656272 385592124 /nfs/dbraw/zinc/59/21/24/385592124.db2.gz NQQONUPJSLRVTI-OCCSQVGLSA-N 2 1 233.359 2.217 20 0 BEADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccnc1 ZINC000181656272 385592134 /nfs/dbraw/zinc/59/21/34/385592134.db2.gz NQQONUPJSLRVTI-OCCSQVGLSA-N 2 1 233.359 2.217 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000414848944 385615161 /nfs/dbraw/zinc/61/51/61/385615161.db2.gz XQJASUIGRUDGMO-QMMMGPOBSA-N 2 1 246.276 2.049 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1C ZINC000336678957 385622103 /nfs/dbraw/zinc/62/21/03/385622103.db2.gz QRNIFRRBNOFACW-SUNKGSAMSA-N 2 1 222.376 2.247 20 0 BEADMP Cc1ccncc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000280860423 385611731 /nfs/dbraw/zinc/61/17/31/385611731.db2.gz LYRBRNWKGPHLNH-CABCVRRESA-N 2 1 247.386 2.352 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)CC[N@@H+]1C ZINC000309506159 385643173 /nfs/dbraw/zinc/64/31/73/385643173.db2.gz VYDBCQQQKYKDHO-RUZUBIRVSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)CC[N@H+]1C ZINC000309506159 385643174 /nfs/dbraw/zinc/64/31/74/385643174.db2.gz VYDBCQQQKYKDHO-RUZUBIRVSA-N 2 1 222.376 2.247 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](C)CC)C1 ZINC000093064966 385651143 /nfs/dbraw/zinc/65/11/43/385651143.db2.gz XAFHMGNHQRVWDG-QWHCGFSZSA-N 2 1 212.381 2.354 20 0 BEADMP Cc1ccc(C[NH2+][C@H](C[NH3+])CC(C)C)cc1 ZINC000414852714 385679508 /nfs/dbraw/zinc/67/95/08/385679508.db2.gz RIIJKWIHORNPKS-AWEZNQCLSA-N 2 1 220.360 2.458 20 0 BEADMP CC[C@@H]1C[C@@H](C[NH2+][C@@H](C[NH3+])CC(C)C)CCO1 ZINC000414853130 385683757 /nfs/dbraw/zinc/68/37/57/385683757.db2.gz RWPYICPIWQGKJX-BFHYXJOUSA-N 2 1 242.407 2.155 20 0 BEADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCOCC1)C1CCCCC1 ZINC000414853718 385689626 /nfs/dbraw/zinc/68/96/26/385689626.db2.gz SVKGZPCWPZEQRC-ZIAGYGMSSA-N 2 1 240.391 2.053 20 0 BEADMP Cc1ccc(C[N@H+](C)CCn2cc[nH+]c2C)o1 ZINC000270801829 385746171 /nfs/dbraw/zinc/74/61/71/385746171.db2.gz FOFLETOJQDXOOF-UHFFFAOYSA-N 2 1 233.315 2.225 20 0 BEADMP Cc1ccc(C[N@@H+](C)CCn2cc[nH+]c2C)o1 ZINC000270801829 385746178 /nfs/dbraw/zinc/74/61/78/385746178.db2.gz FOFLETOJQDXOOF-UHFFFAOYSA-N 2 1 233.315 2.225 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414944964 385786362 /nfs/dbraw/zinc/78/63/62/385786362.db2.gz OXOOBEMRXSSOGI-AEGPPILISA-N 2 1 232.371 2.434 20 0 BEADMP CC(C)CCC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000363854206 385747687 /nfs/dbraw/zinc/74/76/87/385747687.db2.gz MXILQICIJBYOFT-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000363854206 385747691 /nfs/dbraw/zinc/74/76/91/385747691.db2.gz MXILQICIJBYOFT-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CCC[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000363854206 385747697 /nfs/dbraw/zinc/74/76/97/385747697.db2.gz MXILQICIJBYOFT-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CCC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000363854206 385747699 /nfs/dbraw/zinc/74/76/99/385747699.db2.gz MXILQICIJBYOFT-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414863593 385758669 /nfs/dbraw/zinc/75/86/69/385758669.db2.gz AWZGLOGTAUOUEN-LSDHHAIUSA-N 2 1 232.371 2.268 20 0 BEADMP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414863592 385759385 /nfs/dbraw/zinc/75/93/85/385759385.db2.gz AWZGLOGTAUOUEN-HUUCEWRRSA-N 2 1 232.371 2.268 20 0 BEADMP CC[C@@H](C)C[N@H+](C)CCn1cc[nH+]c1C ZINC000270942912 385762855 /nfs/dbraw/zinc/76/28/55/385762855.db2.gz YVWOCXZPCNOWAW-LLVKDONJSA-N 2 1 209.337 2.169 20 0 BEADMP CC[C@@H](C)C[N@@H+](C)CCn1cc[nH+]c1C ZINC000270942912 385762857 /nfs/dbraw/zinc/76/28/57/385762857.db2.gz YVWOCXZPCNOWAW-LLVKDONJSA-N 2 1 209.337 2.169 20 0 BEADMP C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414866233 385775952 /nfs/dbraw/zinc/77/59/52/385775952.db2.gz MRQZLSLYRHKZNB-DTWKUNHWSA-N 2 1 224.270 2.059 20 0 BEADMP CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414866516 385780342 /nfs/dbraw/zinc/78/03/42/385780342.db2.gz NATUJLVBXAPYSU-FRRDWIJNSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000052334403 385726433 /nfs/dbraw/zinc/72/64/33/385726433.db2.gz KOJHNAHKRIHGGB-DGCLKSJQSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000052334400 385726445 /nfs/dbraw/zinc/72/64/45/385726445.db2.gz KOJHNAHKRIHGGB-WCQYABFASA-N 2 1 210.365 2.297 20 0 BEADMP Cc1cccc(CC[C@@H](C)[NH2+][C@@H](C)C[NH3+])c1 ZINC000414947470 385803840 /nfs/dbraw/zinc/80/38/40/385803840.db2.gz VGAJVNCWXBIAEC-OLZOCXBDSA-N 2 1 220.360 2.253 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000414948230 385808144 /nfs/dbraw/zinc/80/81/44/385808144.db2.gz WVVWQLLBLZFKTA-IACUBPJLSA-N 2 1 218.344 2.260 20 0 BEADMP CC[NH2+][C@H](C)C[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000414952179 385823565 /nfs/dbraw/zinc/82/35/65/385823565.db2.gz IGFFYNLHFZOACP-VXGBXAGGSA-N 2 1 238.350 2.344 20 0 BEADMP C[C@H]([NH2+][C@H]1CCS[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000647804756 385838711 /nfs/dbraw/zinc/83/87/11/385838711.db2.gz YIDNHYPUVUPKCB-BJDJZHNGSA-N 2 1 228.405 2.001 20 0 BEADMP CC(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000112341317 385839171 /nfs/dbraw/zinc/83/91/71/385839171.db2.gz VJNQQHQMQXDHRS-NWDGAFQWSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCS[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000647804757 385839472 /nfs/dbraw/zinc/83/94/72/385839472.db2.gz YIDNHYPUVUPKCB-KXNHARMFSA-N 2 1 228.405 2.001 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCS[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000647804760 385839684 /nfs/dbraw/zinc/83/96/84/385839684.db2.gz YIDNHYPUVUPKCB-WRWGMCAJSA-N 2 1 228.405 2.001 20 0 BEADMP C[C@H]([NH2+][C@H]1CCS[C@H]1C)c1c[nH+]ccc1N ZINC000647804389 385841049 /nfs/dbraw/zinc/84/10/49/385841049.db2.gz PGVCVUYYOXHHGQ-AUTRQRHGSA-N 2 1 237.372 2.039 20 0 BEADMP c1ccc(OCCCC[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000414869768 385842717 /nfs/dbraw/zinc/84/27/17/385842717.db2.gz RRFWJBMHCKCXON-CQSZACIVSA-N 2 1 248.370 2.187 20 0 BEADMP CC(C)COc1ccc(C[NH2+][C@@H](C)C[NH3+])cc1 ZINC000414946203 385794734 /nfs/dbraw/zinc/79/47/34/385794734.db2.gz RZVFIHXKMBJIEX-LBPRGKRZSA-N 2 1 236.359 2.158 20 0 BEADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(F)cc1 ZINC000342101546 385926767 /nfs/dbraw/zinc/92/67/67/385926767.db2.gz LHCAHPOHNVAMMH-SNVBAGLBSA-N 2 1 222.307 2.358 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000340469493 385859557 /nfs/dbraw/zinc/85/95/57/385859557.db2.gz KEFWBJLGRACTON-ZIAGYGMSSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@H](C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)c1ccccc1 ZINC000221384947 385994543 /nfs/dbraw/zinc/99/45/43/385994543.db2.gz BPEARXPZHJYSQB-VNQPRFMTSA-N 2 1 244.382 2.474 20 0 BEADMP C[C@H](C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)c1ccccc1 ZINC000221384947 385994551 /nfs/dbraw/zinc/99/45/51/385994551.db2.gz BPEARXPZHJYSQB-VNQPRFMTSA-N 2 1 244.382 2.474 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000285958541 385980460 /nfs/dbraw/zinc/98/04/60/385980460.db2.gz GOGVCLBETDVSBX-LBPRGKRZSA-N 2 1 244.342 2.246 20 0 BEADMP CC[C@H]1CC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336748837 385988761 /nfs/dbraw/zinc/98/87/61/385988761.db2.gz CZUGPKNMFGWKBC-STQMWFEESA-N 2 1 208.349 2.027 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000414060217 385936548 /nfs/dbraw/zinc/93/65/48/385936548.db2.gz JFLOWHDOJKAFHT-LPWJVIDDSA-N 2 1 212.381 2.351 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304648739 385955899 /nfs/dbraw/zinc/95/58/99/385955899.db2.gz YAYJLFNFVBABBH-MJBXVCDLSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000414170852 386015979 /nfs/dbraw/zinc/01/59/79/386015979.db2.gz CLEMYGLHPYKZFM-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP COC(C)(C)[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414169825 386016394 /nfs/dbraw/zinc/01/63/94/386016394.db2.gz BODLPBZMNOWFFD-OLZOCXBDSA-N 2 1 242.407 2.121 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC2(C)C)C1 ZINC000414168595 386016779 /nfs/dbraw/zinc/01/67/79/386016779.db2.gz ANUPTYXQDIYIGU-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CCc1ccc(C[NH2+]C[C@@H]([NH3+])CC)cc1 ZINC000414977368 386031323 /nfs/dbraw/zinc/03/13/23/386031323.db2.gz JSOPLNVRBWIFKR-ZDUSSCGKSA-N 2 1 206.333 2.076 20 0 BEADMP C[C@H](C1CCC1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000393911263 386040330 /nfs/dbraw/zinc/04/03/30/386040330.db2.gz CBRVABWLWPFOKG-NQBHXWOUSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@@H](C[NH2+]Cc1ccc(F)cc1)C[NH+](C)C ZINC000291762330 386041901 /nfs/dbraw/zinc/04/19/01/386041901.db2.gz RQIDVZPJBGBLBT-NSHDSACASA-N 2 1 224.323 2.113 20 0 BEADMP CC[C@H](C[NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000414884377 386042175 /nfs/dbraw/zinc/04/21/75/386042175.db2.gz ODIITHGTXJLHCV-TZMCWYRMSA-N 2 1 218.344 2.132 20 0 BEADMP CCCOc1cccc(C[NH2+]C[C@@H]([NH3+])CC)c1 ZINC000414979395 386043313 /nfs/dbraw/zinc/04/33/13/386043313.db2.gz NWGPTGFZTMFVBJ-ZDUSSCGKSA-N 2 1 236.359 2.302 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000414164580 386047527 /nfs/dbraw/zinc/04/75/27/386047527.db2.gz AWIYLLKYIQNIRA-YIYPIFLZSA-N 2 1 224.392 2.351 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000414164580 386047533 /nfs/dbraw/zinc/04/75/33/386047533.db2.gz AWIYLLKYIQNIRA-YIYPIFLZSA-N 2 1 224.392 2.351 20 0 BEADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000414884726 386048226 /nfs/dbraw/zinc/04/82/26/386048226.db2.gz OOQVVOTXNPRZOG-ZGKBOVNRSA-N 2 1 230.355 2.130 20 0 BEADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000414884707 386048261 /nfs/dbraw/zinc/04/82/61/386048261.db2.gz OOQVVOTXNPRZOG-PMOUVXMZSA-N 2 1 230.355 2.130 20 0 BEADMP c1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414884761 386050071 /nfs/dbraw/zinc/05/00/71/386050071.db2.gz OPINMGUHHSZUAD-QLFBSQMISA-N 2 1 230.355 2.274 20 0 BEADMP CO[C@H](C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)C1CC1 ZINC000425419626 385996284 /nfs/dbraw/zinc/99/62/84/385996284.db2.gz QRAPCWWELYHIJA-CHWSQXEVSA-N 2 1 249.358 2.014 20 0 BEADMP F[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000414291497 386101643 /nfs/dbraw/zinc/10/16/43/386101643.db2.gz UKOXHEIBSBABER-REWJHTLYSA-N 2 1 240.366 2.484 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414665693 386112957 /nfs/dbraw/zinc/11/29/57/386112957.db2.gz FMDIOSRBXSCSQL-KBMXLJTQSA-N 2 1 244.382 2.331 20 0 BEADMP Cc1cncc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c1 ZINC000274575944 386121148 /nfs/dbraw/zinc/12/11/48/386121148.db2.gz IEPXNUYUPBBAPG-QWHCGFSZSA-N 2 1 235.375 2.381 20 0 BEADMP Fc1ccc(C[N@@H+](C[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000647873529 386121236 /nfs/dbraw/zinc/12/12/36/386121236.db2.gz WOPOZGRIOAFZBD-ZDUSSCGKSA-N 2 1 248.345 2.400 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC=CCC1)c1c[nH+]ccc1N ZINC000335032937 386067984 /nfs/dbraw/zinc/06/79/84/386067984.db2.gz CJSIYERUXXHFKG-MNOVXSKESA-N 2 1 217.316 2.253 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(SC)cc1 ZINC000414982774 386071320 /nfs/dbraw/zinc/07/13/20/386071320.db2.gz SMKRXMNRQDEFIK-NSHDSACASA-N 2 1 224.373 2.235 20 0 BEADMP CSc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000414886617 386079872 /nfs/dbraw/zinc/07/98/72/386079872.db2.gz CQTQXXVSHGSAOM-ZDUSSCGKSA-N 2 1 236.384 2.235 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C[C@H]1C ZINC000414887829 386093736 /nfs/dbraw/zinc/09/37/36/386093736.db2.gz JBHJTWQDTNZBKZ-LPWJVIDDSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)CC[N@@H+]1C ZINC000414350000 386151100 /nfs/dbraw/zinc/15/11/00/386151100.db2.gz YUFCXKYZYQPTRU-WUHRBBMRSA-N 2 1 234.343 2.208 20 0 BEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)CC[N@H+]1C ZINC000414350000 386151107 /nfs/dbraw/zinc/15/11/07/386151107.db2.gz YUFCXKYZYQPTRU-WUHRBBMRSA-N 2 1 234.343 2.208 20 0 BEADMP [NH3+][C@H](C[NH2+]Cc1ccc(C2CC2)cc1)C1CC1 ZINC000414892609 386152872 /nfs/dbraw/zinc/15/28/72/386152872.db2.gz QFWOSULURFXAEH-OAHLLOKOSA-N 2 1 230.355 2.391 20 0 BEADMP [NH3+]CCC[N@H+](Cc1ccccc1F)C1CC1 ZINC000414678302 386160161 /nfs/dbraw/zinc/16/01/61/386160161.db2.gz KIKOVLZVWZPPSC-UHFFFAOYSA-N 2 1 222.307 2.139 20 0 BEADMP [NH3+]CCC[N@@H+](Cc1ccccc1F)C1CC1 ZINC000414678302 386160163 /nfs/dbraw/zinc/16/01/63/386160163.db2.gz KIKOVLZVWZPPSC-UHFFFAOYSA-N 2 1 222.307 2.139 20 0 BEADMP FC1(F)CC[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000310213234 386165122 /nfs/dbraw/zinc/16/51/22/386165122.db2.gz CVRVVEMPKTYPIP-SDDRHHMPSA-N 2 1 244.329 2.106 20 0 BEADMP FC1(F)CC[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000310213234 386165127 /nfs/dbraw/zinc/16/51/27/386165127.db2.gz CVRVVEMPKTYPIP-SDDRHHMPSA-N 2 1 244.329 2.106 20 0 BEADMP CC[C@H]1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000414894258 386170276 /nfs/dbraw/zinc/17/02/76/386170276.db2.gz SQEJTPZAELNHKX-XQQFMLRXSA-N 2 1 210.365 2.297 20 0 BEADMP CCOC[C@H]1CCC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414686902 386176476 /nfs/dbraw/zinc/17/64/76/386176476.db2.gz BTGZDVDHGUWMHF-KBPBESRZSA-N 2 1 242.407 2.108 20 0 BEADMP CCOC[C@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414686902 386176481 /nfs/dbraw/zinc/17/64/81/386176481.db2.gz BTGZDVDHGUWMHF-KBPBESRZSA-N 2 1 242.407 2.108 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]CCC1CCOCC1 ZINC000310366161 386181298 /nfs/dbraw/zinc/18/12/98/386181298.db2.gz WDJCQUQBKZQBPA-ZDUSSCGKSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]CCC1CCOCC1 ZINC000310366161 386181299 /nfs/dbraw/zinc/18/12/99/386181299.db2.gz WDJCQUQBKZQBPA-ZDUSSCGKSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@H](CC[NH3+])[NH2+]Cc1ccsc1Cl ZINC000414895158 386186902 /nfs/dbraw/zinc/18/69/02/386186902.db2.gz MMVMAXRCTDDQIQ-SSDOTTSWSA-N 2 1 218.753 2.228 20 0 BEADMP C[C@@H](CC[NH3+])[NH2+]Cc1ccsc1Cl ZINC000414895159 386187762 /nfs/dbraw/zinc/18/77/62/386187762.db2.gz MMVMAXRCTDDQIQ-ZETCQYMHSA-N 2 1 218.753 2.228 20 0 BEADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647874407 386136175 /nfs/dbraw/zinc/13/61/75/386136175.db2.gz RZFCFJDUKODIBQ-NEPJUHHUSA-N 2 1 236.334 2.428 20 0 BEADMP Fc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414891239 386136798 /nfs/dbraw/zinc/13/67/98/386136798.db2.gz WENUPQKYSAAKNW-QLFBSQMISA-N 2 1 248.345 2.413 20 0 BEADMP c1csc([C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647872811 386141105 /nfs/dbraw/zinc/14/11/05/386141105.db2.gz WXSJDKSHDPPKIF-NEPJUHHUSA-N 2 1 236.384 2.495 20 0 BEADMP COc1ccc([C@H](C)[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000647874679 386144004 /nfs/dbraw/zinc/14/40/04/386144004.db2.gz MMPZRICYWGCPKN-QWHCGFSZSA-N 2 1 248.370 2.298 20 0 BEADMP CC[N@@H+](CCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647880973 386202873 /nfs/dbraw/zinc/20/28/73/386202873.db2.gz KJVNAPZZPRXAMN-OAHLLOKOSA-N 2 1 232.371 2.161 20 0 BEADMP CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CC[NH2+]C1 ZINC000647880941 386203111 /nfs/dbraw/zinc/20/31/11/386203111.db2.gz HOEADKOEFPDYMK-CQSZACIVSA-N 2 1 248.370 2.127 20 0 BEADMP Cc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1C ZINC000414896528 386203739 /nfs/dbraw/zinc/20/37/39/386203739.db2.gz PERUKICCCRSUIP-AWEZNQCLSA-N 2 1 218.344 2.130 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000414702303 386208792 /nfs/dbraw/zinc/20/87/92/386208792.db2.gz IGMWHLIQIHCCCU-OLZOCXBDSA-N 2 1 244.448 2.433 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCS[C@H](C(C)C)C1 ZINC000414702303 386208799 /nfs/dbraw/zinc/20/87/99/386208799.db2.gz IGMWHLIQIHCCCU-OLZOCXBDSA-N 2 1 244.448 2.433 20 0 BEADMP CC[C@H](C)[C@@H](C)[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647884522 386259593 /nfs/dbraw/zinc/25/95/93/386259593.db2.gz ZECYVXSBODGPAU-YNEHKIRRSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H](c1ccccn1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414702602 386210624 /nfs/dbraw/zinc/21/06/24/386210624.db2.gz ICUZAHJLTBWGLW-HZSPNIEDSA-N 2 1 247.386 2.463 20 0 BEADMP C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCC[NH3+] ZINC000414702793 386211433 /nfs/dbraw/zinc/21/14/33/386211433.db2.gz LXCUNFJNPDJMBZ-JSGCOSHPSA-N 2 1 218.344 2.213 20 0 BEADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C1CCC1 ZINC000414704296 386213829 /nfs/dbraw/zinc/21/38/29/386213829.db2.gz MVBZBSBYDOSZIV-VXGBXAGGSA-N 2 1 210.365 2.249 20 0 BEADMP CCSCC[N@@H+](C)[C@@H]1CCN(C)C[C@H]1C ZINC000336648797 386259774 /nfs/dbraw/zinc/25/97/74/386259774.db2.gz PPWGSARFHVPBII-VXGBXAGGSA-N 2 1 230.421 2.012 20 0 BEADMP CCSCC[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000336648797 386259777 /nfs/dbraw/zinc/25/97/77/386259777.db2.gz PPWGSARFHVPBII-VXGBXAGGSA-N 2 1 230.421 2.012 20 0 BEADMP CCSCC[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000336648797 386259783 /nfs/dbraw/zinc/25/97/83/386259783.db2.gz PPWGSARFHVPBII-VXGBXAGGSA-N 2 1 230.421 2.012 20 0 BEADMP CCSCC[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000336648797 386259786 /nfs/dbraw/zinc/25/97/86/386259786.db2.gz PPWGSARFHVPBII-VXGBXAGGSA-N 2 1 230.421 2.012 20 0 BEADMP CCSCC[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000336648797 386259791 /nfs/dbraw/zinc/25/97/91/386259791.db2.gz PPWGSARFHVPBII-VXGBXAGGSA-N 2 1 230.421 2.012 20 0 BEADMP C[C@@H](c1cccnc1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414709933 386225510 /nfs/dbraw/zinc/22/55/10/386225510.db2.gz KPFWMLQJVYFAOH-HZSPNIEDSA-N 2 1 247.386 2.463 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccccc1F ZINC000132183318 386227031 /nfs/dbraw/zinc/22/70/31/386227031.db2.gz UNXGNJYWVVAGFH-RYUDHWBXSA-N 2 1 236.334 2.476 20 0 BEADMP [NH3+]CCC[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000414710330 386228087 /nfs/dbraw/zinc/22/80/87/386228087.db2.gz RVINXQCHQCKZFO-UHFFFAOYSA-N 2 1 236.334 2.181 20 0 BEADMP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339066401 386233491 /nfs/dbraw/zinc/23/34/91/386233491.db2.gz BZKLPLKIBXGSBJ-VHDGCEQUSA-N 2 1 248.370 2.427 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+]C/C=C\c1ccc(F)cc1 ZINC000415002061 386237297 /nfs/dbraw/zinc/23/72/97/386237297.db2.gz DEWLOWZHRGLKPA-WZQADMAKSA-N 2 1 222.307 2.164 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCOC ZINC000336730494 386244622 /nfs/dbraw/zinc/24/46/22/386244622.db2.gz IJAOPMOGTVRULG-QWHCGFSZSA-N 2 1 230.396 2.121 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCOC ZINC000336730494 386244627 /nfs/dbraw/zinc/24/46/27/386244627.db2.gz IJAOPMOGTVRULG-QWHCGFSZSA-N 2 1 230.396 2.121 20 0 BEADMP Cc1ccccc1[C@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647883911 386247237 /nfs/dbraw/zinc/24/72/37/386247237.db2.gz JQPHPGOPQQYECN-GJZGRUSLSA-N 2 1 244.382 2.394 20 0 BEADMP CC[N@@H+](CCC[NH3+])[C@@H](C)c1cccc(OC)c1 ZINC000414694714 386192871 /nfs/dbraw/zinc/19/28/71/386192871.db2.gz DQDBSWPLUODUHN-LBPRGKRZSA-N 2 1 236.359 2.427 20 0 BEADMP CC[C@@H]1c2ccsc2CC[N@@H+]1CCC[NH3+] ZINC000414693060 386194400 /nfs/dbraw/zinc/19/44/00/386194400.db2.gz BRHOZABJBBNCPC-LLVKDONJSA-N 2 1 224.373 2.406 20 0 BEADMP CCCCO[C@@H]1C[C@@H]([N@@H+](C)CCC[NH3+])C1(C)C ZINC000414696036 386197337 /nfs/dbraw/zinc/19/73/37/386197337.db2.gz AULASGGQKUCTAW-CHWSQXEVSA-N 2 1 242.407 2.251 20 0 BEADMP C[C@H]1c2c(F)cccc2CC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647885852 386286635 /nfs/dbraw/zinc/28/66/35/386286635.db2.gz YGADSQJXTMUSEB-NWDGAFQWSA-N 2 1 248.345 2.354 20 0 BEADMP C[C@H]1c2c(F)cccc2CC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647885852 386286640 /nfs/dbraw/zinc/28/66/40/386286640.db2.gz YGADSQJXTMUSEB-NWDGAFQWSA-N 2 1 248.345 2.354 20 0 BEADMP CCC[C@]1(C)CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647886128 386294741 /nfs/dbraw/zinc/29/47/41/386294741.db2.gz XKWLNKGAINCQJF-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647885883 386296101 /nfs/dbraw/zinc/29/61/01/386296101.db2.gz DRFTWKROMNKOCK-IIAWOOMASA-N 2 1 244.382 2.474 20 0 BEADMP CC[N@@H+](CCC[NH3+])[C@H](C)c1cccc(O)c1 ZINC000414734216 386299210 /nfs/dbraw/zinc/29/92/10/386299210.db2.gz BQAWQIYWTLXDPD-LLVKDONJSA-N 2 1 222.332 2.124 20 0 BEADMP Cc1ccc(F)cc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000335260641 386318639 /nfs/dbraw/zinc/31/86/39/386318639.db2.gz NRWBONLFXOLAOE-RISCZKNCSA-N 2 1 236.334 2.364 20 0 BEADMP CCCOc1cccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])c1 ZINC000415003898 386264595 /nfs/dbraw/zinc/26/45/95/386264595.db2.gz GRLXGVQRPWSPJE-VXGBXAGGSA-N 2 1 236.359 2.301 20 0 BEADMP Cc1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])s1 ZINC000335276827 386340759 /nfs/dbraw/zinc/34/07/59/386340759.db2.gz FUZSCOAQWRRNEG-GHMZBOCLSA-N 2 1 239.388 2.119 20 0 BEADMP CC(C)C[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647888166 386341028 /nfs/dbraw/zinc/34/10/28/386341028.db2.gz VEMHKBDLASNELL-KBPBESRZSA-N 2 1 224.392 2.497 20 0 BEADMP CN(CC[C@@H]1CCC[N@H+]1C)CCC(F)(F)F ZINC000336686979 386348114 /nfs/dbraw/zinc/34/81/14/386348114.db2.gz XETJMCBHKGBBEU-JTQLQIEISA-N 2 1 238.297 2.355 20 0 BEADMP Cc1ccc([C@]2(C)CC[N@@H+](CCC[NH3+])C2)cc1 ZINC000414747096 386350843 /nfs/dbraw/zinc/35/08/43/386350843.db2.gz RRDCHXDIDVCQCW-OAHLLOKOSA-N 2 1 232.371 2.307 20 0 BEADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647889970 386362813 /nfs/dbraw/zinc/36/28/13/386362813.db2.gz CDCZOTCMALWEMK-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]([NH3+])C[NH+]1CCC(C2CCCC2)CC1 ZINC000647890169 386366882 /nfs/dbraw/zinc/36/68/82/386366882.db2.gz WJXUSOOKQVBECZ-NSHDSACASA-N 2 1 210.365 2.236 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCC1(C)C ZINC000289956445 386377864 /nfs/dbraw/zinc/37/78/64/386377864.db2.gz CEQHEMQFSCNVFC-ZDUSSCGKSA-N 2 1 233.359 2.426 20 0 BEADMP CC[C@@H](CSC)[N@@H+](C)CCc1cncn1C ZINC000298394140 386334538 /nfs/dbraw/zinc/33/45/38/386334538.db2.gz LMPMKZJZBQDSOG-NSHDSACASA-N 2 1 241.404 2.036 20 0 BEADMP CC(C)[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000336681588 386337356 /nfs/dbraw/zinc/33/73/56/386337356.db2.gz QWSHAMKSXMCEKQ-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000336681588 386337360 /nfs/dbraw/zinc/33/73/60/386337360.db2.gz QWSHAMKSXMCEKQ-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000336681588 386337363 /nfs/dbraw/zinc/33/73/63/386337363.db2.gz QWSHAMKSXMCEKQ-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@@H]1C[C@@H](C)C[N@@H+]1CC[NH2+]C(C)(C)C ZINC000399179066 386438066 /nfs/dbraw/zinc/43/80/66/386438066.db2.gz RDGSDZLJPKLUTN-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H]1C[C@@H](C)C[N@H+]1CC[NH2+]C(C)(C)C ZINC000399179066 386438069 /nfs/dbraw/zinc/43/80/69/386438069.db2.gz RDGSDZLJPKLUTN-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP COc1ccc([C@@H](C)C[N@@H+](C)C2CC([NH3+])C2)cc1 ZINC000414769386 386445574 /nfs/dbraw/zinc/44/55/74/386445574.db2.gz KBBLNRCSVFDBBN-XGNXJENSSA-N 2 1 248.370 2.220 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000157119793 386449726 /nfs/dbraw/zinc/44/97/26/386449726.db2.gz RVVIQCLXNZALAC-FDYHWXHSSA-N 2 1 242.432 2.200 20 0 BEADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@H](C)CCCOC ZINC000336776249 386393272 /nfs/dbraw/zinc/39/32/72/386393272.db2.gz FGAVVJYIYGBGKQ-OLZOCXBDSA-N 2 1 230.396 2.121 20 0 BEADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000442664178 386412506 /nfs/dbraw/zinc/41/25/06/386412506.db2.gz LRWSUEPIAQFOKD-WFASDCNBSA-N 2 1 247.386 2.237 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000442664178 386412509 /nfs/dbraw/zinc/41/25/09/386412509.db2.gz LRWSUEPIAQFOKD-WFASDCNBSA-N 2 1 247.386 2.237 20 0 BEADMP C[C@@H]([NH3+])C[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000442664151 386413182 /nfs/dbraw/zinc/41/31/82/386413182.db2.gz LRFNTTQTFPVJAT-LLVKDONJSA-N 2 1 236.334 2.180 20 0 BEADMP C[C@@H]([NH3+])C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000442664151 386413185 /nfs/dbraw/zinc/41/31/85/386413185.db2.gz LRFNTTQTFPVJAT-LLVKDONJSA-N 2 1 236.334 2.180 20 0 BEADMP CO[C@H](C)C[N@@H+](CC[C@H]1CCC[NH+]1C)C(C)C ZINC000336714279 386432777 /nfs/dbraw/zinc/43/27/77/386432777.db2.gz QPHPUVCEJWYRBA-ZIAGYGMSSA-N 2 1 242.407 2.216 20 0 BEADMP CO[C@H](C)C[NH+](CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC000336714279 386432785 /nfs/dbraw/zinc/43/27/85/386432785.db2.gz QPHPUVCEJWYRBA-ZIAGYGMSSA-N 2 1 242.407 2.216 20 0 BEADMP CO[C@H](C)C[NH+](CC[C@H]1CCC[N@H+]1C)C(C)C ZINC000336714279 386432787 /nfs/dbraw/zinc/43/27/87/386432787.db2.gz QPHPUVCEJWYRBA-ZIAGYGMSSA-N 2 1 242.407 2.216 20 0 BEADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000399173390 386434264 /nfs/dbraw/zinc/43/42/64/386434264.db2.gz PBOMNUQGPBJWFZ-XDQVBPFNSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H]1C[C@@H](C)C[N@@H+]1CC[NH2+]C(C)(C)C ZINC000399179063 386436053 /nfs/dbraw/zinc/43/60/53/386436053.db2.gz RDGSDZLJPKLUTN-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H]1C[C@@H](C)C[N@H+]1CC[NH2+]C(C)(C)C ZINC000399179063 386436058 /nfs/dbraw/zinc/43/60/58/386436058.db2.gz RDGSDZLJPKLUTN-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccn1 ZINC000391194722 386473967 /nfs/dbraw/zinc/47/39/67/386473967.db2.gz RCEOAKWVZKCGNZ-UXIGCNINSA-N 2 1 247.386 2.208 20 0 BEADMP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)ccn1 ZINC000391194722 386473971 /nfs/dbraw/zinc/47/39/71/386473971.db2.gz RCEOAKWVZKCGNZ-UXIGCNINSA-N 2 1 247.386 2.208 20 0 BEADMP Cc1ccoc1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000135146919 386480702 /nfs/dbraw/zinc/48/07/02/386480702.db2.gz ILQYKLUUNYEBHA-GFCCVEGCSA-N 2 1 234.343 2.162 20 0 BEADMP Cc1ccoc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000135146919 386480705 /nfs/dbraw/zinc/48/07/05/386480705.db2.gz ILQYKLUUNYEBHA-GFCCVEGCSA-N 2 1 234.343 2.162 20 0 BEADMP Cc1ccoc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000135146919 386480711 /nfs/dbraw/zinc/48/07/11/386480711.db2.gz ILQYKLUUNYEBHA-GFCCVEGCSA-N 2 1 234.343 2.162 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccsc1 ZINC000060264887 386487605 /nfs/dbraw/zinc/48/76/05/386487605.db2.gz HOEDMKXJKRKNEL-UHFFFAOYSA-N 2 1 221.329 2.043 20 0 BEADMP Cc1ccc2cc(C[NH2+][C@H](C)[C@H](C)[NH3+])ccc2n1 ZINC000415014130 386497678 /nfs/dbraw/zinc/49/76/78/386497678.db2.gz LHZQWYKCAWJLGW-NWDGAFQWSA-N 2 1 243.354 2.369 20 0 BEADMP C[C@H](Cc1ccccc1)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000414781381 386500937 /nfs/dbraw/zinc/50/09/37/386500937.db2.gz HQSKBVINJQZWQC-IPYPFGDCSA-N 2 1 232.371 2.287 20 0 BEADMP CCC[C@H](C)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000415050917 386505474 /nfs/dbraw/zinc/50/54/74/386505474.db2.gz DWPPEYQLAXIPRK-QWRGUYRKSA-N 2 1 200.370 2.386 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CC3)[C@H]2CCC[C@@H]21 ZINC000417339911 386506083 /nfs/dbraw/zinc/50/60/83/386506083.db2.gz OWXNMWJZTPESMD-CRWXNKLISA-N 2 1 234.387 2.249 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CC3)[C@@H]2CCC[C@@H]21 ZINC000417339916 386507516 /nfs/dbraw/zinc/50/75/16/386507516.db2.gz OWXNMWJZTPESMD-XUXIUFHCSA-N 2 1 234.387 2.249 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CC3)[C@@H]2CCC[C@H]21 ZINC000417339913 386507668 /nfs/dbraw/zinc/50/76/68/386507668.db2.gz OWXNMWJZTPESMD-XDQVBPFNSA-N 2 1 234.387 2.249 20 0 BEADMP C[C@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414785773 386513275 /nfs/dbraw/zinc/51/32/75/386513275.db2.gz TWXGJKOMDVDABX-BYNSBNAKSA-N 2 1 236.403 2.497 20 0 BEADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC1CCC1 ZINC000061458132 386514498 /nfs/dbraw/zinc/51/44/98/386514498.db2.gz QMUYLBWURVXLMG-LBPRGKRZSA-N 2 1 210.365 2.108 20 0 BEADMP [NH3+]C[C@H]([NH2+]Cc1ccc(F)cc1)C1CCCC1 ZINC000415041665 386527561 /nfs/dbraw/zinc/52/75/61/386527561.db2.gz LOMMHGNNDINEPZ-AWEZNQCLSA-N 2 1 236.334 2.433 20 0 BEADMP CC(C)(C)c1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415040534 386527902 /nfs/dbraw/zinc/52/79/02/386527902.db2.gz QGDPKRFCUHMWLZ-FICVDOATSA-N 2 1 244.382 2.292 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000094339165 386457856 /nfs/dbraw/zinc/45/78/56/386457856.db2.gz UHSCNENIZQZPMG-DOMZBBRYSA-N 2 1 232.371 2.418 20 0 BEADMP C[C@H](C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1)c1ccccc1 ZINC000094339087 386458394 /nfs/dbraw/zinc/45/83/94/386458394.db2.gz NLMVPNGWBMQFEC-NFAWXSAZSA-N 2 1 232.371 2.459 20 0 BEADMP C[NH+]1CCC([NH2+]CC2(C(F)(F)F)CC2)CC1 ZINC000336756967 386578325 /nfs/dbraw/zinc/57/83/25/386578325.db2.gz HIYHBCULGPPUIU-UHFFFAOYSA-N 2 1 236.281 2.013 20 0 BEADMP Cc1cc(Cl)cc(C)c1C[NH2+][C@H](C)C[NH3+] ZINC000414921195 386582126 /nfs/dbraw/zinc/58/21/26/386582126.db2.gz AMFYFAVYRHYDID-SNVBAGLBSA-N 2 1 226.751 2.394 20 0 BEADMP CC(C)(C[NH2+][C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000415079960 386584478 /nfs/dbraw/zinc/58/44/78/386584478.db2.gz IXTBTBONXLRVMP-CQSZACIVSA-N 2 1 232.371 2.207 20 0 BEADMP Cc1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)c(C)c1 ZINC000414800179 386584773 /nfs/dbraw/zinc/58/47/73/386584773.db2.gz RWOHNIUTDUGOCN-CQSZACIVSA-N 2 1 220.360 2.376 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC000414921357 386585691 /nfs/dbraw/zinc/58/56/91/386585691.db2.gz DLOWLDBCLFWBDD-IJLUTSLNSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@H](CCc1ccsc1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414803036 386595447 /nfs/dbraw/zinc/59/54/47/386595447.db2.gz IYSOZUZHGRPCHC-MFKMUULPSA-N 2 1 238.400 2.396 20 0 BEADMP NC[C@@H]([NH2+]Cc1cc(Cl)cs1)C1CC1 ZINC000414803051 386595459 /nfs/dbraw/zinc/59/54/59/386595459.db2.gz IZNAFZLGOUKMTQ-SNVBAGLBSA-N 2 1 230.764 2.228 20 0 BEADMP CCOc1cccc(C[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000414802773 386596214 /nfs/dbraw/zinc/59/62/14/386596214.db2.gz VXCQERBGFIMXEQ-CQSZACIVSA-N 2 1 236.359 2.158 20 0 BEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cccc(F)c1 ZINC000415046537 386531350 /nfs/dbraw/zinc/53/13/50/386531350.db2.gz CRWQZJRVSXGXAL-LBPRGKRZSA-N 2 1 224.323 2.289 20 0 BEADMP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000414788775 386533914 /nfs/dbraw/zinc/53/39/14/386533914.db2.gz MWASBQLOUTVHJS-BMFZPTHFSA-N 2 1 244.382 2.159 20 0 BEADMP C[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000414788775 386533921 /nfs/dbraw/zinc/53/39/21/386533921.db2.gz MWASBQLOUTVHJS-BMFZPTHFSA-N 2 1 244.382 2.159 20 0 BEADMP Cc1cccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1 ZINC000415048898 386534818 /nfs/dbraw/zinc/53/48/18/386534818.db2.gz GMOPBSBTXNPEBK-ZDUSSCGKSA-N 2 1 220.360 2.458 20 0 BEADMP CC[C@@H]1C[C@@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)CCO1 ZINC000415056045 386538132 /nfs/dbraw/zinc/53/81/32/386538132.db2.gz PDXNFQBDIMHKJM-XQQFMLRXSA-N 2 1 242.407 2.155 20 0 BEADMP Cc1cc(F)ccc1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414789604 386538079 /nfs/dbraw/zinc/53/80/79/386538079.db2.gz FMFBZUWSZVWQKC-ZDUSSCGKSA-N 2 1 224.323 2.207 20 0 BEADMP CC[C@@]1(C)CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000399386457 386538804 /nfs/dbraw/zinc/53/88/04/386538804.db2.gz RIUVNBMEEYTJOP-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP Cc1cc(F)ccc1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414789603 386540238 /nfs/dbraw/zinc/54/02/38/386540238.db2.gz FMFBZUWSZVWQKC-CYBMUJFWSA-N 2 1 224.323 2.207 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC000647995268 386547008 /nfs/dbraw/zinc/54/70/08/386547008.db2.gz KBDZTNJYZDNYPV-YNEHKIRRSA-N 2 1 224.392 2.482 20 0 BEADMP [NH3+]C[C@H]([NH2+]Cc1ccsc1)C1CCCC1 ZINC000415065562 386548259 /nfs/dbraw/zinc/54/82/59/386548259.db2.gz NAXLBJFJEKMHJM-LBPRGKRZSA-N 2 1 224.373 2.355 20 0 BEADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)C1CCC1 ZINC000415067377 386549021 /nfs/dbraw/zinc/54/90/21/386549021.db2.gz OZUPFJNPNJBNKI-MFKMUULPSA-N 2 1 210.365 2.282 20 0 BEADMP FC(F)(F)C[C@H]1CC[N@@H+](CCn2ccnc2)C1 ZINC000278567195 386549772 /nfs/dbraw/zinc/54/97/72/386549772.db2.gz BVUAMGRRFQZUCW-SNVBAGLBSA-N 2 1 247.264 2.157 20 0 BEADMP Cc1cccc(C[NH2+][C@@H](C[NH3+])C2CC2)c1C ZINC000414791978 386551317 /nfs/dbraw/zinc/55/13/17/386551317.db2.gz BRLQSCUGONVRPA-AWEZNQCLSA-N 2 1 218.344 2.130 20 0 BEADMP CC(C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647974877 386555342 /nfs/dbraw/zinc/55/53/42/386555342.db2.gz AEWLAVCMRPSYAD-OLZOCXBDSA-N 2 1 210.365 2.106 20 0 BEADMP CCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647974962 386555610 /nfs/dbraw/zinc/55/56/10/386555610.db2.gz DQEKWVANEYFEFO-CHWSQXEVSA-N 2 1 210.365 2.108 20 0 BEADMP CCOc1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000414793579 386555815 /nfs/dbraw/zinc/55/58/15/386555815.db2.gz KTQWRMITAHESSK-CQSZACIVSA-N 2 1 236.359 2.158 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415071132 386556172 /nfs/dbraw/zinc/55/61/72/386556172.db2.gz VYTITXFWUSPCHM-KGYLQXTDSA-N 2 1 210.365 2.282 20 0 BEADMP C[C@@H]1CCC[C@H]1[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415071137 386557144 /nfs/dbraw/zinc/55/71/44/386557144.db2.gz VYTITXFWUSPCHM-RTXFEEFZSA-N 2 1 210.365 2.282 20 0 BEADMP CC(C)([NH3+])C[NH2+]C/C=C\c1ccccc1 ZINC000414796499 386566198 /nfs/dbraw/zinc/56/61/98/386566198.db2.gz BXEPKHADQQJISK-TWGQIWQCSA-N 2 1 204.317 2.027 20 0 BEADMP NC[C@H]([NH2+]Cc1cc(Cl)cs1)C1CC1 ZINC000414803049 386597875 /nfs/dbraw/zinc/59/78/75/386597875.db2.gz IZNAFZLGOUKMTQ-JTQLQIEISA-N 2 1 230.764 2.228 20 0 BEADMP CC(C)[C@@H](C[NH2+][C@@H]1CCC[NH2+]C1)c1cccnc1 ZINC000415076659 386573594 /nfs/dbraw/zinc/57/35/94/386573594.db2.gz DGPOINDCIVWWGR-HUUCEWRRSA-N 2 1 247.386 2.163 20 0 BEADMP C[NH2+]CCC[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000647997632 386619516 /nfs/dbraw/zinc/61/95/16/386619516.db2.gz UMUFGRWKVZQIHT-CYBMUJFWSA-N 2 1 210.365 2.251 20 0 BEADMP Cc1cccc(C)c1C[NH2+]CC(C)(C)[NH3+] ZINC000414810047 386620339 /nfs/dbraw/zinc/62/03/39/386620339.db2.gz WNRZUURZIIXXRO-UHFFFAOYSA-N 2 1 206.333 2.130 20 0 BEADMP CSc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000414808287 386622341 /nfs/dbraw/zinc/62/23/41/386622341.db2.gz SCMRLXBHEQASGO-CYBMUJFWSA-N 2 1 236.384 2.235 20 0 BEADMP Cc1cc(C[NH2+]CC(C)(C)[NH3+])cc2cccnc12 ZINC000414808412 386625278 /nfs/dbraw/zinc/62/52/78/386625278.db2.gz SRPJKEGWOZEKGX-UHFFFAOYSA-N 2 1 243.354 2.370 20 0 BEADMP CCC([NH3+])(CC)C[NH2+]Cc1ccccc1N(C)C ZINC000414809177 386628798 /nfs/dbraw/zinc/62/87/98/386628798.db2.gz UQYVZQMBYPOQFA-UHFFFAOYSA-N 2 1 249.402 2.360 20 0 BEADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000425916479 386628889 /nfs/dbraw/zinc/62/88/89/386628889.db2.gz FQYFKGUUZUMCHZ-CHWSQXEVSA-N 2 1 249.402 2.492 20 0 BEADMP Cc1cc(C)cc(C[NH2+]CC(C)(C)[NH3+])c1 ZINC000414810908 386634527 /nfs/dbraw/zinc/63/45/27/386634527.db2.gz YGVXASRUZRITGN-UHFFFAOYSA-N 2 1 206.333 2.130 20 0 BEADMP C[C@@H]1CCC[C@@H](C[NH2+][C@@H](C[NH3+])C2CC2)C1 ZINC000414812872 386643990 /nfs/dbraw/zinc/64/39/90/386643990.db2.gz PVPLFOZHAYFZQK-WZRBSPASSA-N 2 1 210.365 2.140 20 0 BEADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)C1CC1 ZINC000414814770 386650276 /nfs/dbraw/zinc/65/02/76/386650276.db2.gz RZYJCDPBNGTLGW-OAHLLOKOSA-N 2 1 230.355 2.391 20 0 BEADMP [NH3+]C[C@H]([NH2+]CCCCOc1ccccc1)C1CC1 ZINC000414815245 386650602 /nfs/dbraw/zinc/65/06/02/386650602.db2.gz TXTAGDOVTBWQMR-HNNXBMFYSA-N 2 1 248.370 2.173 20 0 BEADMP Cc1occc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414461914 386601245 /nfs/dbraw/zinc/60/12/45/386601245.db2.gz LMVKSTQHPRQJOA-CYBMUJFWSA-N 2 1 236.359 2.410 20 0 BEADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(OC)cc1 ZINC000414805830 386605760 /nfs/dbraw/zinc/60/57/60/386605760.db2.gz AZWQPMXWUWVHIU-ZDUSSCGKSA-N 2 1 236.359 2.302 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])C2CC2)C[C@H]1C ZINC000414804532 386608219 /nfs/dbraw/zinc/60/82/19/386608219.db2.gz KSRQPXHJNPIIAB-VCDKRKBESA-N 2 1 210.365 2.138 20 0 BEADMP Cc1nc2ccc(C[NH2+][C@H](C)C[NH3+])cc2s1 ZINC000414923365 386608930 /nfs/dbraw/zinc/60/89/30/386608930.db2.gz FBTQDKYRLGIRSW-MRVPVSSYSA-N 2 1 235.356 2.042 20 0 BEADMP Cc1ccc2cc(C[NH2+]CC(C)(C)[NH3+])ccc2n1 ZINC000414804211 386609172 /nfs/dbraw/zinc/60/91/72/386609172.db2.gz NODQDDJTUXTAKQ-UHFFFAOYSA-N 2 1 243.354 2.370 20 0 BEADMP [NH3+]C[C@@H]([NH2+]C/C=C\c1ccc(F)cc1)C1CC1 ZINC000414807922 386612106 /nfs/dbraw/zinc/61/21/06/386612106.db2.gz RTSPXHBBRLXOIZ-DDGIKZQJSA-N 2 1 234.318 2.166 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C1CC1 ZINC000414807421 386618054 /nfs/dbraw/zinc/61/80/54/386618054.db2.gz QYXBSALLLMEMSR-MCIONIFRSA-N 2 1 222.376 2.282 20 0 BEADMP C[NH2+]CC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000414819902 386660153 /nfs/dbraw/zinc/66/01/53/386660153.db2.gz BANHKJBVIXFTHV-UHFFFAOYSA-N 2 1 212.381 2.400 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000414926351 386661997 /nfs/dbraw/zinc/66/19/97/386661997.db2.gz KAHFQHWKMGQGAG-VHSXEESVSA-N 2 1 226.751 2.208 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000414926737 386664296 /nfs/dbraw/zinc/66/42/96/386664296.db2.gz KPEXQJQOSIPSRW-DDTOSNHZSA-N 2 1 236.334 2.399 20 0 BEADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000414926220 386670257 /nfs/dbraw/zinc/67/02/57/386670257.db2.gz KNKVSHXAUWTNJW-GUTXKFCHSA-N 2 1 232.371 2.378 20 0 BEADMP C[NH2+]CC[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000414821536 386676899 /nfs/dbraw/zinc/67/68/99/386676899.db2.gz FFOUEKMPJLFGEY-UHFFFAOYSA-N 2 1 212.381 2.400 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+]C1Cc2ccccc2C1 ZINC000414818444 386656966 /nfs/dbraw/zinc/65/69/66/386656966.db2.gz VUTHKIZBPDQBHM-CQSZACIVSA-N 2 1 232.371 2.261 20 0 BEADMP C[NH2+]CC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000414828981 386700967 /nfs/dbraw/zinc/70/09/67/386700967.db2.gz LTLPOJRRBOCYQD-KBPBESRZSA-N 2 1 218.344 2.132 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C1CC1)C1CCC1 ZINC000324980401 386703013 /nfs/dbraw/zinc/70/30/13/386703013.db2.gz RBROINRIJSXODF-AWEZNQCLSA-N 2 1 233.359 2.360 20 0 BEADMP CCNCC[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000414836190 386730885 /nfs/dbraw/zinc/73/08/85/386730885.db2.gz VUYJMKNMHVLEED-STQMWFEESA-N 2 1 220.360 2.378 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000414836190 386730891 /nfs/dbraw/zinc/73/08/91/386730891.db2.gz VUYJMKNMHVLEED-STQMWFEESA-N 2 1 220.360 2.378 20 0 BEADMP Cc1cc(NCC[N@H+](C)C2CCCCC2)cc[nH+]1 ZINC000357186398 386734640 /nfs/dbraw/zinc/73/46/40/386734640.db2.gz JGJXRLNOTFUIEU-UHFFFAOYSA-N 2 1 247.386 2.488 20 0 BEADMP C[C@H](Cc1ccccc1)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000340693023 386714251 /nfs/dbraw/zinc/71/42/51/386714251.db2.gz WXKOYBGDRLIFOZ-UMVBOHGHSA-N 2 1 232.371 2.144 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CC[C@H](C(C)C)[C@@H](C)C1 ZINC000414833674 386714837 /nfs/dbraw/zinc/71/48/37/386714837.db2.gz STFKRFKASILRDU-YNEHKIRRSA-N 2 1 212.381 2.256 20 0 BEADMP CC[C@H](C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000340692941 386714868 /nfs/dbraw/zinc/71/48/68/386714868.db2.gz WNSMXQITFCZKTH-GUTXKFCHSA-N 2 1 232.371 2.459 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000414831892 386716289 /nfs/dbraw/zinc/71/62/89/386716289.db2.gz PWSXVCKEZDCGHV-QWHCGFSZSA-N 2 1 210.365 2.154 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000414832063 386716708 /nfs/dbraw/zinc/71/67/08/386716708.db2.gz DDWMFOSAKZOZRL-MJBXVCDLSA-N 2 1 242.407 2.153 20 0 BEADMP Cc1cc[nH+]c(NCC2CC[NH+](C)CC2)c1 ZINC000044526207 386722863 /nfs/dbraw/zinc/72/28/63/386722863.db2.gz BFESRNUPEZHIHN-UHFFFAOYSA-N 2 1 219.332 2.144 20 0 BEADMP Cc1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cn1 ZINC000414839585 386746565 /nfs/dbraw/zinc/74/65/65/386746565.db2.gz LNCGPNSWUDISCR-OAHLLOKOSA-N 2 1 247.386 2.387 20 0 BEADMP COC1(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC000336663986 386752204 /nfs/dbraw/zinc/75/22/04/386752204.db2.gz WSABQULOYXKJDD-STQMWFEESA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000414931260 386761981 /nfs/dbraw/zinc/76/19/81/386761981.db2.gz RBMZDUIMUARVKE-GRYCIOLGSA-N 2 1 206.333 2.115 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000390472144 386766468 /nfs/dbraw/zinc/76/64/68/386766468.db2.gz JOCCUCGXBOIXOO-XDQVBPFNSA-N 2 1 224.392 2.495 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000390472144 386766476 /nfs/dbraw/zinc/76/64/76/386766476.db2.gz JOCCUCGXBOIXOO-XDQVBPFNSA-N 2 1 224.392 2.495 20 0 BEADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414843693 386766525 /nfs/dbraw/zinc/76/65/25/386766525.db2.gz KINJMZCTXWBCDU-UWVGGRQHSA-N 2 1 238.297 2.307 20 0 BEADMP [NH3+]C[C@H]1CCC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000334143456 386743044 /nfs/dbraw/zinc/74/30/44/386743044.db2.gz RPLZIDFDKHDAFR-IAQYHMDHSA-N 2 1 248.345 2.484 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000334143457 386744174 /nfs/dbraw/zinc/74/41/74/386744174.db2.gz RPLZIDFDKHDAFR-NHYWBVRUSA-N 2 1 248.345 2.484 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000414933766 386789599 /nfs/dbraw/zinc/78/95/99/386789599.db2.gz URZRHEBMPYVICX-WVWOOGAGSA-N 2 1 218.344 2.115 20 0 BEADMP CC(C)[C@@H]1CC[C@H]([NH2+][C@H](C)C[NH3+])C[C@@H]1C ZINC000414933464 386782802 /nfs/dbraw/zinc/78/28/02/386782802.db2.gz UFYACWJNKTUNLX-RNJOBUHISA-N 2 1 212.381 2.384 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@@H+](C)C2CC([NH3+])C2)C1 ZINC000394999399 386797138 /nfs/dbraw/zinc/79/71/38/386797138.db2.gz FPRYAGIQCFMSNG-IALDZJHCSA-N 2 1 210.365 2.234 20 0 BEADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H](C)C[NH3+] ZINC000300026067 386799233 /nfs/dbraw/zinc/79/92/33/386799233.db2.gz WGPPWDMEYYUMDH-YVECIDJPSA-N 2 1 212.381 2.384 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000300023919 386800334 /nfs/dbraw/zinc/80/03/34/386800334.db2.gz JCMULZMCBMJUIK-HRDYMLBCSA-N 2 1 224.270 2.044 20 0 BEADMP CCCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000249335647 386828855 /nfs/dbraw/zinc/82/88/55/386828855.db2.gz YUXAOOKQNMXUKB-FRRDWIJNSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](O)CCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000398503307 386833542 /nfs/dbraw/zinc/83/35/42/386833542.db2.gz KNKAPQKFSQSGDR-CQDKDKBSSA-N 2 1 248.370 2.272 20 0 BEADMP CCc1cc(NC[C@@H](C2CC2)[NH+](C)C)nc(C)[nH+]1 ZINC000301364131 386837963 /nfs/dbraw/zinc/83/79/63/386837963.db2.gz RKOAKQRNMQXMRJ-ZDUSSCGKSA-N 2 1 248.374 2.100 20 0 BEADMP CS[C@@H]1CC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000425340271 386842796 /nfs/dbraw/zinc/84/27/96/386842796.db2.gz ADDNZANJGNKEFR-CHWSQXEVSA-N 2 1 242.432 2.344 20 0 BEADMP C[N@@H+](Cc1cccs1)C[C@H]1CCC[NH2+]C1 ZINC000021950288 386852485 /nfs/dbraw/zinc/85/24/85/386852485.db2.gz GPAHYXKPLJFYQN-NSHDSACASA-N 2 1 224.373 2.180 20 0 BEADMP C[N@H+](Cc1cccs1)C[C@H]1CCC[NH2+]C1 ZINC000021950288 386852488 /nfs/dbraw/zinc/85/24/88/386852488.db2.gz GPAHYXKPLJFYQN-NSHDSACASA-N 2 1 224.373 2.180 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccn(C)c2)C[C@@H]1C ZINC000353749688 386870465 /nfs/dbraw/zinc/87/04/65/386870465.db2.gz GDLHEZBBLIOXFH-ZFWWWQNUSA-N 2 1 249.402 2.330 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccn(C)c2)C[C@@H]1C ZINC000353749688 386870469 /nfs/dbraw/zinc/87/04/69/386870469.db2.gz GDLHEZBBLIOXFH-ZFWWWQNUSA-N 2 1 249.402 2.330 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccn(C)c2)C[C@@H]1C ZINC000353749688 386870473 /nfs/dbraw/zinc/87/04/73/386870473.db2.gz GDLHEZBBLIOXFH-ZFWWWQNUSA-N 2 1 249.402 2.330 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccn(C)c2)C[C@@H]1C ZINC000353749688 386870476 /nfs/dbraw/zinc/87/04/76/386870476.db2.gz GDLHEZBBLIOXFH-ZFWWWQNUSA-N 2 1 249.402 2.330 20 0 BEADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC000334847949 386896158 /nfs/dbraw/zinc/89/61/58/386896158.db2.gz YQMBMWVMRSMCJZ-VHSXEESVSA-N 2 1 240.297 2.324 20 0 BEADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2)CC[NH2+]1 ZINC000334864417 386919620 /nfs/dbraw/zinc/91/96/20/386919620.db2.gz PMOZHFDJNVDGJO-GXSJLCMTSA-N 2 1 240.297 2.195 20 0 BEADMP CS[C@@H]1CC[C@@H]1[NH2+]CCC[N@@H+](C)C(C)C ZINC000425359396 386977724 /nfs/dbraw/zinc/97/77/24/386977724.db2.gz PXXPEUNPIYTMNL-NWDGAFQWSA-N 2 1 230.421 2.200 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2ccccc2)C1 ZINC000104411928 387005775 /nfs/dbraw/zinc/00/57/75/387005775.db2.gz AQAZVTBZQOGHRO-KGLIPLIRSA-N 2 1 248.370 2.125 20 0 BEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000070074086 387042833 /nfs/dbraw/zinc/04/28/33/387042833.db2.gz BVNPENLXFKTULE-HNNXBMFYSA-N 2 1 232.371 2.290 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC2CC(F)(F)C2)[C@@H](C)C1 ZINC000425957012 387045731 /nfs/dbraw/zinc/04/57/31/387045731.db2.gz ZNQKZYYBVOWSPW-JQWIXIFHSA-N 2 1 246.345 2.352 20 0 BEADMP C[C@@H]1CN(c2cc[nH+]c3ccsc32)CC[NH2+]1 ZINC000334968832 387052954 /nfs/dbraw/zinc/05/29/54/387052954.db2.gz UCXUAXBZZFEMAH-SECBINFHSA-N 2 1 233.340 2.094 20 0 BEADMP CCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000110442778 387062568 /nfs/dbraw/zinc/06/25/68/387062568.db2.gz NMMXVIDYSZAWSI-ZDUSSCGKSA-N 2 1 248.370 2.127 20 0 BEADMP CCOc1ccccc1C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000110442778 387062573 /nfs/dbraw/zinc/06/25/73/387062573.db2.gz NMMXVIDYSZAWSI-ZDUSSCGKSA-N 2 1 248.370 2.127 20 0 BEADMP C(C1CCC1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000334978861 387065429 /nfs/dbraw/zinc/06/54/29/387065429.db2.gz CAGYSGDXKAZMOX-UONOGXRCSA-N 2 1 222.376 2.108 20 0 BEADMP CS[C@@H]1CC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000425372837 387014453 /nfs/dbraw/zinc/01/44/53/387014453.db2.gz UFLLNTWOFWNUBK-YNEHKIRRSA-N 2 1 242.432 2.202 20 0 BEADMP CCOC(C)(C)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000188692749 387070780 /nfs/dbraw/zinc/07/07/80/387070780.db2.gz WUJZZZZPBOTJEM-CHWSQXEVSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000111695443 387084802 /nfs/dbraw/zinc/08/48/02/387084802.db2.gz LUGQPGHOCHXCEI-NEPJUHHUSA-N 2 1 236.334 2.385 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000111695443 387084805 /nfs/dbraw/zinc/08/48/05/387084805.db2.gz LUGQPGHOCHXCEI-NEPJUHHUSA-N 2 1 236.334 2.385 20 0 BEADMP CC[C@](C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)OC ZINC000322514415 387093094 /nfs/dbraw/zinc/09/30/94/387093094.db2.gz JTUQVBUJCCDHNK-MGPQQGTHSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1ccc(F)c(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000228409716 387093848 /nfs/dbraw/zinc/09/38/48/387093848.db2.gz AAJFCJHPECQGAO-UHFFFAOYSA-N 2 1 236.334 2.366 20 0 BEADMP CCOc1cccc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)c1 ZINC000071142482 387095144 /nfs/dbraw/zinc/09/51/44/387095144.db2.gz OUTHGYNFASDYFK-CQSZACIVSA-N 2 1 248.370 2.127 20 0 BEADMP CCOc1cccc(C[N@H+]2CC[C@H](C[NH2+]C)C2)c1 ZINC000071142482 387095150 /nfs/dbraw/zinc/09/51/50/387095150.db2.gz OUTHGYNFASDYFK-CQSZACIVSA-N 2 1 248.370 2.127 20 0 BEADMP CCc1ccccc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000250262662 387111780 /nfs/dbraw/zinc/11/17/80/387111780.db2.gz DVDAHRXMHABHPY-CHWSQXEVSA-N 2 1 232.371 2.418 20 0 BEADMP C[C@@H]([NH2+]C1CCCCC1)c1c[nH+]ccc1N ZINC000335023935 387114192 /nfs/dbraw/zinc/11/41/92/387114192.db2.gz LVSCWWBGGVTGPH-SNVBAGLBSA-N 2 1 219.332 2.477 20 0 BEADMP CC[C@@H]([NH2+]CC1C[NH2+]C1)c1ccccc1F ZINC000423301248 387132169 /nfs/dbraw/zinc/13/21/69/387132169.db2.gz GVLRIPMXJJAAHK-CYBMUJFWSA-N 2 1 222.307 2.086 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000228821436 387121682 /nfs/dbraw/zinc/12/16/82/387121682.db2.gz JPRHVNFZRMBVTD-MFKMUULPSA-N 2 1 238.400 2.486 20 0 BEADMP Cc1ccsc1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000228821405 387122573 /nfs/dbraw/zinc/12/25/73/387122573.db2.gz LMTAIAIPRNSLKO-NEPJUHHUSA-N 2 1 238.400 2.486 20 0 BEADMP C[N@@H+](CCCCF)CCC[NH+]1CCCC1 ZINC000352393926 387145220 /nfs/dbraw/zinc/14/52/20/387145220.db2.gz FDRHPMRHABAJGK-UHFFFAOYSA-N 2 1 216.344 2.154 20 0 BEADMP C[C@@H](F)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000352402823 387146936 /nfs/dbraw/zinc/14/69/36/387146936.db2.gz QBWYJLQYHDSWQV-VXGBXAGGSA-N 2 1 216.344 2.151 20 0 BEADMP [NH3+][C@@H](C[NH2+][C@H]1CCc2cc(F)ccc21)C1CC1 ZINC000423310970 387147795 /nfs/dbraw/zinc/14/77/95/387147795.db2.gz BBGSEXUXXSTHEE-KBPBESRZSA-N 2 1 234.318 2.140 20 0 BEADMP Cc1cc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cs1 ZINC000423312863 387151608 /nfs/dbraw/zinc/15/16/08/387151608.db2.gz DXBHLMULUFFKOW-CABZTGNLSA-N 2 1 224.373 2.444 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(F)c1 ZINC000423313343 387151838 /nfs/dbraw/zinc/15/18/38/387151838.db2.gz FOSVHRSIRGRYNB-NOZJJQNGSA-N 2 1 222.307 2.214 20 0 BEADMP [NH3+][C@@H](C[NH2+][C@@H]1CCc2ccccc21)C1CC1 ZINC000423316505 387157588 /nfs/dbraw/zinc/15/75/88/387157588.db2.gz JSSQSPODHAZMBM-UONOGXRCSA-N 2 1 216.328 2.001 20 0 BEADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccs1 ZINC000423320615 387161450 /nfs/dbraw/zinc/16/14/50/387161450.db2.gz MILUONLIOZTOFN-SCZZXKLOSA-N 2 1 210.346 2.136 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])cc1C ZINC000423320903 387162187 /nfs/dbraw/zinc/16/21/87/387162187.db2.gz GZUWCFVDUSXHLC-NEPJUHHUSA-N 2 1 206.333 2.301 20 0 BEADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423321170 387162990 /nfs/dbraw/zinc/16/29/90/387162990.db2.gz MXCGIRRGUXISMY-DFKRKDTASA-N 2 1 248.345 2.386 20 0 BEADMP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423328078 387170926 /nfs/dbraw/zinc/17/09/26/387170926.db2.gz RYAPUJHWTUHDOE-KBPBESRZSA-N 2 1 246.354 2.009 20 0 BEADMP Cc1ccc(C[C@@H]([NH2+][C@H](C)C[NH3+])C(C)C)cc1 ZINC000423329149 387173279 /nfs/dbraw/zinc/17/32/79/387173279.db2.gz OOAARQWVFGQTAO-UKRRQHHQSA-N 2 1 234.387 2.499 20 0 BEADMP CCC(CC)[N@@H+](CCOC)C[C@]1(C)CC[NH2+]C1 ZINC000062911979 387173583 /nfs/dbraw/zinc/17/35/83/387173583.db2.gz BHVVYSQNJNDHRA-CQSZACIVSA-N 2 1 242.407 2.123 20 0 BEADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423330637 387176469 /nfs/dbraw/zinc/17/64/69/387176469.db2.gz PLWIEMWQZZJNME-OCCSQVGLSA-N 2 1 248.370 2.234 20 0 BEADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc2c(c1)COC2 ZINC000423331730 387178149 /nfs/dbraw/zinc/17/81/49/387178149.db2.gz UUADZNSIEMLYLW-ZUZCIYMTSA-N 2 1 246.354 2.105 20 0 BEADMP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423334863 387180825 /nfs/dbraw/zinc/18/08/25/387180825.db2.gz SVBUHGBKMRLPML-IJLUTSLNSA-N 2 1 236.359 2.124 20 0 BEADMP CC(C)[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccnc1 ZINC000423337388 387184977 /nfs/dbraw/zinc/18/49/77/387184977.db2.gz YHBCITKATZYZHY-ZIAGYGMSSA-N 2 1 233.359 2.106 20 0 BEADMP [NH3+][C@H](C[NH2+][C@H]1CCCc2ccc(O)cc21)C1CC1 ZINC000423337369 387185628 /nfs/dbraw/zinc/18/56/28/387185628.db2.gz YGMDCJUDMFOEHJ-CABCVRRESA-N 2 1 246.354 2.097 20 0 BEADMP CC(C)[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccnc1 ZINC000423337381 387186078 /nfs/dbraw/zinc/18/60/78/387186078.db2.gz YHBCITKATZYZHY-KBPBESRZSA-N 2 1 233.359 2.106 20 0 BEADMP [NH3+][C@H](C[NH2+][C@H]1CCCOc2ccccc21)C1CC1 ZINC000423338451 387188951 /nfs/dbraw/zinc/18/89/51/387188951.db2.gz ZFHMDOZNHPKCGL-KGLIPLIRSA-N 2 1 246.354 2.227 20 0 BEADMP c1ccc(CCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000336794651 387190013 /nfs/dbraw/zinc/19/00/13/387190013.db2.gz DPDRBMHDXUSNPD-HOTGVXAUSA-N 2 1 244.382 2.303 20 0 BEADMP CCC[C@H]([NH2+]CC1([NH3+])CCC1)c1cccnc1 ZINC000423341983 387190552 /nfs/dbraw/zinc/19/05/52/387190552.db2.gz YRDZYNKDWLZKSK-ZDUSSCGKSA-N 2 1 233.359 2.394 20 0 BEADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(Cl)s1 ZINC000423301833 387135134 /nfs/dbraw/zinc/13/51/34/387135134.db2.gz IDNOKGCNCVSAFO-ZETCQYMHSA-N 2 1 230.764 2.272 20 0 BEADMP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000423303958 387137366 /nfs/dbraw/zinc/13/73/66/387137366.db2.gz NFDWZBKHGGITSA-NDBYEHHHSA-N 2 1 210.365 2.153 20 0 BEADMP Cc1cncc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000423354349 387205159 /nfs/dbraw/zinc/20/51/59/387205159.db2.gz CTDBJKQVAIAJOY-GXTWGEPZSA-N 2 1 233.359 2.183 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cc2c(s1)CCC2 ZINC000423359633 387209346 /nfs/dbraw/zinc/20/93/46/387209346.db2.gz DPBHUBKUJLRXTG-DTWKUNHWSA-N 2 1 224.373 2.235 20 0 BEADMP Cc1nc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cs1 ZINC000423359195 387210123 /nfs/dbraw/zinc/21/01/23/387210123.db2.gz CVSRTHOUTZRJSO-GDPRMGEGSA-N 2 1 239.388 2.372 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000423360389 387212960 /nfs/dbraw/zinc/21/29/60/387212960.db2.gz FKMJXBASKPGZDR-IUCAKERBSA-N 2 1 244.285 2.286 20 0 BEADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H](C)C[NH3+] ZINC000423367529 387219361 /nfs/dbraw/zinc/21/93/61/387219361.db2.gz MRGKYIGINCQNRE-NTZNESFSSA-N 2 1 218.344 2.480 20 0 BEADMP Cc1cccc([C@H](C)[NH2+][C@@H](C)C[NH3+])c1C ZINC000423368396 387221823 /nfs/dbraw/zinc/22/18/23/387221823.db2.gz NFBBPPOSOXMXBI-JQWIXIFHSA-N 2 1 206.333 2.301 20 0 BEADMP Cc1ccc(C[C@@H]([NH2+][C@@H](C)C[NH3+])C(C)C)cc1 ZINC000423369369 387223503 /nfs/dbraw/zinc/22/35/03/387223503.db2.gz OOAARQWVFGQTAO-DZGCQCFKSA-N 2 1 234.387 2.499 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000423370002 387224106 /nfs/dbraw/zinc/22/41/06/387224106.db2.gz TZFIRTSJEBYFKI-FRRDWIJNSA-N 2 1 222.376 2.297 20 0 BEADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423396370 387232054 /nfs/dbraw/zinc/23/20/54/387232054.db2.gz NTLOHPVGHGVRRJ-UOVKNHIHSA-N 2 1 248.370 2.124 20 0 BEADMP CC[NH+](CC)CCCCn1cc[nH+]c1C ZINC000120394912 387234667 /nfs/dbraw/zinc/23/46/67/387234667.db2.gz SADXCGUGLXTQGW-UHFFFAOYSA-N 2 1 209.337 2.314 20 0 BEADMP Cc1ccnc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000353618571 387243201 /nfs/dbraw/zinc/24/32/01/387243201.db2.gz GQWFDXHCBOSPJL-ZDUSSCGKSA-N 2 1 245.370 2.303 20 0 BEADMP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)o1 ZINC000423409749 387244817 /nfs/dbraw/zinc/24/48/17/387244817.db2.gz ZDLLFFFFKMQFTJ-NTZNESFSSA-N 2 1 236.359 2.491 20 0 BEADMP Cc1ccccc1C[C@@H]([NH2+][C@@H](C)C[NH3+])C1CC1 ZINC000423409330 387247050 /nfs/dbraw/zinc/24/70/50/387247050.db2.gz YSKTURXUZPRKQI-SWLSCSKDSA-N 2 1 232.371 2.253 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2sccc21 ZINC000423421902 387251031 /nfs/dbraw/zinc/25/10/31/387251031.db2.gz CCHNRAXOUSEOEO-ZMHPAJMFSA-N 2 1 248.395 2.494 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000423466314 387314329 /nfs/dbraw/zinc/31/43/29/387314329.db2.gz NJIWPFITFLWVNU-UWVGGRQHSA-N 2 1 212.362 2.444 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(C)s1 ZINC000423466316 387315667 /nfs/dbraw/zinc/31/56/67/387315667.db2.gz NJIWPFITFLWVNU-ZJUUUORDSA-N 2 1 212.362 2.444 20 0 BEADMP CCc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)s1 ZINC000423428640 387255350 /nfs/dbraw/zinc/25/53/50/387255350.db2.gz JNXAIGLQWJGYLY-MVVXRAEJSA-N 2 1 236.384 2.179 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cncc(F)c1 ZINC000423376210 387258278 /nfs/dbraw/zinc/25/82/78/387258278.db2.gz KWJTWNQQFFHKKU-BREBYQMCSA-N 2 1 237.322 2.012 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000423378222 387260894 /nfs/dbraw/zinc/26/08/94/387260894.db2.gz WGHXKKZJXPTFOA-ZANVPECISA-N 2 1 222.307 2.140 20 0 BEADMP COC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000423379470 387262348 /nfs/dbraw/zinc/26/23/48/387262348.db2.gz LXFOLGQNHUBRKI-SNPRPXQTSA-N 2 1 248.370 2.104 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCCc2ccccc21 ZINC000423381406 387262406 /nfs/dbraw/zinc/26/24/06/387262406.db2.gz ZRDOZHFTOYMLCE-FZMZJTMJSA-N 2 1 218.344 2.391 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000423381365 387262730 /nfs/dbraw/zinc/26/27/30/387262730.db2.gz ZNQZXEBOOWLPFV-QPUJVOFHSA-N 2 1 224.735 2.264 20 0 BEADMP Cc1ccncc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423380298 387263365 /nfs/dbraw/zinc/26/33/65/387263365.db2.gz NSKCPINZBOMLJV-AGIUHOORSA-N 2 1 233.359 2.181 20 0 BEADMP CC[C@H]([NH2+][C@@H](C)C[NH3+])c1cccc(OC)c1 ZINC000423380320 387263772 /nfs/dbraw/zinc/26/37/72/387263772.db2.gz YHRUBJVDFQGHLA-GWCFXTLKSA-N 2 1 222.332 2.083 20 0 BEADMP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423383393 387265213 /nfs/dbraw/zinc/26/52/13/387265213.db2.gz PCCLWPLGTPTAQM-MBNYWOFBSA-N 2 1 247.386 2.435 20 0 BEADMP CC[NH2+]CCC[NH2+][C@H](C)c1cnc(C)s1 ZINC000643499032 387283856 /nfs/dbraw/zinc/28/38/56/387283856.db2.gz NOZUUBOMKWAORF-SECBINFHSA-N 2 1 227.377 2.102 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCNc2ccccc21 ZINC000423431789 387283962 /nfs/dbraw/zinc/28/39/62/387283962.db2.gz AYKRRPMFIHKPEY-COPLHBTASA-N 2 1 233.359 2.259 20 0 BEADMP CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(F)c1 ZINC000423436418 387286558 /nfs/dbraw/zinc/28/65/58/387286558.db2.gz POAOQXYPZWKPOE-RQJABVFESA-N 2 1 234.318 2.084 20 0 BEADMP CC(C)CCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352525447 387288355 /nfs/dbraw/zinc/28/83/55/387288355.db2.gz GQCXSATXIFKEEB-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(C2CC2)c1 ZINC000423437552 387288620 /nfs/dbraw/zinc/28/86/20/387288620.db2.gz UILLYNXSEUQMCO-XGVBPZLHSA-N 2 1 242.366 2.432 20 0 BEADMP CC(C)CCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352525446 387288947 /nfs/dbraw/zinc/28/89/47/387288947.db2.gz GQCXSATXIFKEEB-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)[C@H](C)[NH3+] ZINC000423441059 387289540 /nfs/dbraw/zinc/28/95/40/387289540.db2.gz JASVGWNHYFOLKF-RWEMILLDSA-N 2 1 222.307 2.138 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1csc(C)c1 ZINC000423440070 387290086 /nfs/dbraw/zinc/29/00/86/387290086.db2.gz AJZWYZRZWBZREQ-MWLCHTKSSA-N 2 1 212.362 2.444 20 0 BEADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000423442110 387292885 /nfs/dbraw/zinc/29/28/85/387292885.db2.gz UVWOSLYSMQCTLT-UGFHNGPFSA-N 2 1 247.386 2.238 20 0 BEADMP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000423443098 387293036 /nfs/dbraw/zinc/29/30/36/387293036.db2.gz VKOISWVMZNVDBZ-RFQIPJPRSA-N 2 1 248.757 2.135 20 0 BEADMP CC(C)[C@@H]([NH2+][C@H](C)C[NH3+])c1ccccc1 ZINC000232684554 387293873 /nfs/dbraw/zinc/29/38/73/387293873.db2.gz YYOUJZUUECYFDS-DGCLKSJQSA-N 2 1 206.333 2.321 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)C1CCOCC1 ZINC000353910383 387296006 /nfs/dbraw/zinc/29/60/06/387296006.db2.gz DDYCFXBYOBHYFK-CYBMUJFWSA-N 2 1 242.407 2.121 20 0 BEADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000423449568 387296617 /nfs/dbraw/zinc/29/66/17/387296617.db2.gz RUXLIRNXFYKPJQ-WDMOLILDSA-N 2 1 218.344 2.308 20 0 BEADMP C[C@H](C[NH3+])[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000162041573 387296626 /nfs/dbraw/zinc/29/66/26/387296626.db2.gz IQCOCYJFMGOCGN-LLVKDONJSA-N 2 1 220.360 2.421 20 0 BEADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])CCC2 ZINC000423449742 387297406 /nfs/dbraw/zinc/29/74/06/387297406.db2.gz RZDMGIMPLMBYFE-JRPNMDOOSA-N 2 1 248.370 2.398 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)c1ccccc1N(C)C)[C@H](C)[NH3+] ZINC000423449777 387298730 /nfs/dbraw/zinc/29/87/30/387298730.db2.gz SCJIYQINXSYXAH-TUAOUCFPSA-N 2 1 235.375 2.139 20 0 BEADMP Cc1ccsc1[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000423450358 387299441 /nfs/dbraw/zinc/29/94/41/387299441.db2.gz SRQSWFRVOPYZCF-GUBZILKMSA-N 2 1 212.362 2.443 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)C1CCSCC1 ZINC000643501800 387354804 /nfs/dbraw/zinc/35/48/04/387354804.db2.gz QCNRMVBHKAPJFW-DGCLKSJQSA-N 2 1 242.432 2.250 20 0 BEADMP C([NH2+][C@H]1CCC12CCC2)[C@@H]1CCCC[NH2+]1 ZINC000643502489 387365442 /nfs/dbraw/zinc/36/54/42/387365442.db2.gz HXQAVGKPQFAFNO-RYUDHWBXSA-N 2 1 208.349 2.051 20 0 BEADMP CC[C@H](C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423540181 387366577 /nfs/dbraw/zinc/36/65/77/387366577.db2.gz DAJJHZUIZUMWPK-VHSXEESVSA-N 2 1 207.321 2.191 20 0 BEADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000360933838 387369137 /nfs/dbraw/zinc/36/91/37/387369137.db2.gz WJJRVLVDCCSGMU-MQYQWHSLSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000360933838 387369142 /nfs/dbraw/zinc/36/91/42/387369142.db2.gz WJJRVLVDCCSGMU-MQYQWHSLSA-N 2 1 240.391 2.016 20 0 BEADMP Cc1ccnc([C@H](C)[NH2+]CCC[NH2+]C2CC2)c1 ZINC000423548647 387371100 /nfs/dbraw/zinc/37/11/00/387371100.db2.gz HBCAGAIUAKRJGJ-LBPRGKRZSA-N 2 1 233.359 2.183 20 0 BEADMP CO[C@@H](C)[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373522730 387378818 /nfs/dbraw/zinc/37/88/18/387378818.db2.gz OAFOMBMOBIJYIQ-FEPKRQSRSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000423476484 387324296 /nfs/dbraw/zinc/32/42/96/387324296.db2.gz SMWJAAIMPBKNGX-DGCLKSJQSA-N 2 1 222.307 2.140 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H](c1cccnc1)C(C)C ZINC000423485979 387332308 /nfs/dbraw/zinc/33/23/08/387332308.db2.gz ZHVRTQDBTBORJI-OLZOCXBDSA-N 2 1 221.348 2.106 20 0 BEADMP CC1(C)CC[C@@H]1[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423497058 387339132 /nfs/dbraw/zinc/33/91/32/387339132.db2.gz FXKKISOCDBHCNU-RYUDHWBXSA-N 2 1 210.365 2.282 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)[C@H]1C ZINC000423498504 387339784 /nfs/dbraw/zinc/33/97/84/387339784.db2.gz BJOCHYPAJPOBON-XVLPMQGWSA-N 2 1 244.382 2.376 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)[C@@H]1C ZINC000423498502 387340991 /nfs/dbraw/zinc/34/09/91/387340991.db2.gz BJOCHYPAJPOBON-DMVVEVTLSA-N 2 1 244.382 2.376 20 0 BEADMP C(C[NH2+]C1C2CC3CC(C2)CC1C3)[NH2+]C1CC1 ZINC000643506323 387458510 /nfs/dbraw/zinc/45/85/10/387458510.db2.gz RZQPGXIEMJKMID-UHFFFAOYSA-N 2 1 234.387 2.153 20 0 BEADMP [NH3+]CCC[N@H+](Cc1ccccc1)CC1(F)CC1 ZINC000515650517 387413752 /nfs/dbraw/zinc/41/37/52/387413752.db2.gz YUXBSMFCIVMKHE-UHFFFAOYSA-N 2 1 236.334 2.340 20 0 BEADMP [NH3+]CCC[N@@H+](Cc1ccccc1)CC1(F)CC1 ZINC000515650517 387413757 /nfs/dbraw/zinc/41/37/57/387413757.db2.gz YUXBSMFCIVMKHE-UHFFFAOYSA-N 2 1 236.334 2.340 20 0 BEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccoc1 ZINC000643474764 387494061 /nfs/dbraw/zinc/49/40/61/387494061.db2.gz GSLMJSFRTNXACM-MDFVCYEDSA-N 2 1 220.316 2.213 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccoc1 ZINC000643474796 387496200 /nfs/dbraw/zinc/49/62/00/387496200.db2.gz MHUNDDLMGTWEQU-PWSUYJOCSA-N 2 1 208.305 2.072 20 0 BEADMP CO[C@@H]1CC[N@H+](CCCC(C)(C)C)[C@H](C[NH3+])C1 ZINC000309996759 387532900 /nfs/dbraw/zinc/53/29/00/387532900.db2.gz YHRNEVZPNBXNDZ-QWHCGFSZSA-N 2 1 242.407 2.251 20 0 BEADMP CO[C@@H]1CC[N@@H+](CCCC(C)(C)C)[C@H](C[NH3+])C1 ZINC000309996759 387532906 /nfs/dbraw/zinc/53/29/06/387532906.db2.gz YHRNEVZPNBXNDZ-QWHCGFSZSA-N 2 1 242.407 2.251 20 0 BEADMP CC[N@H+]1CC[C@@H](N(C)CC2(F)CC2)C[C@@H]1C ZINC000527219147 387538874 /nfs/dbraw/zinc/53/88/74/387538874.db2.gz IHRZLMUDOXDWIL-NWDGAFQWSA-N 2 1 228.355 2.293 20 0 BEADMP C(C[NH2+][C@@H]1CCC12CCCC2)[NH2+]C1CC1 ZINC000643507555 387476583 /nfs/dbraw/zinc/47/65/83/387476583.db2.gz IDDHYRAGYCUBNU-GFCCVEGCSA-N 2 1 208.349 2.051 20 0 BEADMP C(C[NH2+]C1CC1)[NH2+]C(C1CCC1)C1CCC1 ZINC000643507554 387477497 /nfs/dbraw/zinc/47/74/97/387477497.db2.gz IARXNLXGRUJHOM-UHFFFAOYSA-N 2 1 222.376 2.297 20 0 BEADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]CC2(F)CC2)C1 ZINC000527232875 387542204 /nfs/dbraw/zinc/54/22/04/387542204.db2.gz XCWGCBWYLGUCRY-ZDUSSCGKSA-N 2 1 242.382 2.446 20 0 BEADMP CC[C@H]([NH2+]CC[NH2+]C1CC1)C1CCCC1 ZINC000643507661 387478884 /nfs/dbraw/zinc/47/88/84/387478884.db2.gz MAEZGRZDTVIOLR-ZDUSSCGKSA-N 2 1 210.365 2.297 20 0 BEADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507789 387479045 /nfs/dbraw/zinc/47/90/45/387479045.db2.gz PPVRZWCQUAPLFP-NEPJUHHUSA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CC2(F)CC2)C1 ZINC000527232875 387542208 /nfs/dbraw/zinc/54/22/08/387542208.db2.gz XCWGCBWYLGUCRY-ZDUSSCGKSA-N 2 1 242.382 2.446 20 0 BEADMP C[C@@H](CCCc1cccnc1)[NH2+]CC[NH2+]C1CC1 ZINC000643507644 387480086 /nfs/dbraw/zinc/48/00/86/387480086.db2.gz LMQSWNREPUFGEO-ZDUSSCGKSA-N 2 1 247.386 2.134 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CC[NH2+]C2CC2)[C@@H](C)C1 ZINC000643507992 387481884 /nfs/dbraw/zinc/48/18/84/387481884.db2.gz YKBIVRMQWWTXIM-NTZNESFSSA-N 2 1 210.365 2.153 20 0 BEADMP c1ccc2c(c1)CCC[C@@H]([NH2+]CC[NH2+]C1CC1)C2 ZINC000643507467 387486068 /nfs/dbraw/zinc/48/60/68/387486068.db2.gz FQDUKGLLNBOBOJ-MRXNPFEDSA-N 2 1 244.382 2.276 20 0 BEADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000643508440 387489758 /nfs/dbraw/zinc/48/97/58/387489758.db2.gz KBWAUUXKCNPSIH-CQSZACIVSA-N 2 1 247.386 2.437 20 0 BEADMP COc1cccc(C[C@H]2CCC[N@H+]2CCC[NH3+])c1 ZINC000516258533 387490291 /nfs/dbraw/zinc/49/02/91/387490291.db2.gz GWKYWBZMIUFIMJ-CQSZACIVSA-N 2 1 248.370 2.051 20 0 BEADMP CC(C)[NH2+]CCC[NH2+][C@H]1CCCc2cccnc21 ZINC000643508439 387490637 /nfs/dbraw/zinc/49/06/37/387490637.db2.gz KBWAUUXKCNPSIH-AWEZNQCLSA-N 2 1 247.386 2.437 20 0 BEADMP CCCCOCC[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000362184823 387581570 /nfs/dbraw/zinc/58/15/70/387581570.db2.gz JOVWSNCNMZCIIH-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP CCCCOCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000362184823 387581574 /nfs/dbraw/zinc/58/15/74/387581574.db2.gz JOVWSNCNMZCIIH-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP CCCCOCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000362184823 387581580 /nfs/dbraw/zinc/58/15/80/387581580.db2.gz JOVWSNCNMZCIIH-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP [NH3+][C@H](C[NH2+]Cc1cccc(C2CC2)c1)C1CC1 ZINC000422553051 387598055 /nfs/dbraw/zinc/59/80/55/387598055.db2.gz IUGNXSYNEHAHPD-OAHLLOKOSA-N 2 1 230.355 2.391 20 0 BEADMP C[C@@H](C[NH3+])[NH2+]Cc1cccc(C2CC2)c1 ZINC000422554938 387598486 /nfs/dbraw/zinc/59/84/86/387598486.db2.gz NZJUYIQDTWKYJA-JTQLQIEISA-N 2 1 204.317 2.001 20 0 BEADMP Cc1csc([C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+])n1 ZINC000422707376 387619983 /nfs/dbraw/zinc/61/99/83/387619983.db2.gz WMVDOQIWHGKTQB-NRPADANISA-N 2 1 227.377 2.228 20 0 BEADMP CC(C)COCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000375689649 387567354 /nfs/dbraw/zinc/56/73/54/387567354.db2.gz DYUDWQPSIDATSA-CQSZACIVSA-N 2 1 242.407 2.075 20 0 BEADMP CC(C)COCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000375689649 387567357 /nfs/dbraw/zinc/56/73/57/387567357.db2.gz DYUDWQPSIDATSA-CQSZACIVSA-N 2 1 242.407 2.075 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCc2ccc(C)cc2)C1 ZINC000430605605 387632781 /nfs/dbraw/zinc/63/27/81/387632781.db2.gz STFGTPOTJXOQON-INIZCTEOSA-N 2 1 246.398 2.469 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000356254196 387633598 /nfs/dbraw/zinc/63/35/98/387633598.db2.gz HHKFCHBXIWPNMY-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000356254196 387633600 /nfs/dbraw/zinc/63/36/00/387633600.db2.gz HHKFCHBXIWPNMY-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC([NH3+])CC1 ZINC000430630990 387636753 /nfs/dbraw/zinc/63/67/53/387636753.db2.gz SNLONNPIEDUGGN-JSGCOSHPSA-N 2 1 240.391 2.005 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnc(C)c2)C1 ZINC000527647771 387640379 /nfs/dbraw/zinc/64/03/79/387640379.db2.gz RWRGQXCTILMGBZ-HNNXBMFYSA-N 2 1 247.386 2.212 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1ccccc1 ZINC000422732470 387641215 /nfs/dbraw/zinc/64/12/15/387641215.db2.gz OKWPIFQVLQEABS-ZFWWWQNUSA-N 2 1 232.371 2.207 20 0 BEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCCC1 ZINC000422732541 387641585 /nfs/dbraw/zinc/64/15/85/387641585.db2.gz OXOGQAMYXNNCMU-SWLSCSKDSA-N 2 1 232.371 2.477 20 0 BEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC000422736875 387646173 /nfs/dbraw/zinc/64/61/73/387646173.db2.gz HFRGOLYRGZEGBR-IUCAKERBSA-N 2 1 228.286 2.180 20 0 BEADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccoc1 ZINC000643518389 387648725 /nfs/dbraw/zinc/64/87/25/387648725.db2.gz BQXDRCOEGBOIPH-DGCLKSJQSA-N 2 1 222.332 2.320 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccnc(C)c2)C1 ZINC000527643838 387652241 /nfs/dbraw/zinc/65/22/41/387652241.db2.gz CZPGKYDOSBFMDS-OAHLLOKOSA-N 2 1 247.386 2.212 20 0 BEADMP C[C@H]([NH3+])C[C@H](C)NC[C@H](c1ccccc1)[NH+](C)C ZINC000422750978 387656588 /nfs/dbraw/zinc/65/65/88/387656588.db2.gz FCFPTKOTCWOYCF-KCQAQPDRSA-N 2 1 249.402 2.005 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000422754268 387657599 /nfs/dbraw/zinc/65/75/99/387657599.db2.gz JJOVQIRZLPCNPO-HIFRSBDPSA-N 2 1 247.386 2.076 20 0 BEADMP c1cc2ccc(C[NH2+]CCC[NH+]3CCC3)cc2[nH]1 ZINC000527683422 387658388 /nfs/dbraw/zinc/65/83/88/387658388.db2.gz GIJIOJZKTCXGLB-UHFFFAOYSA-N 2 1 243.354 2.353 20 0 BEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527686844 387658440 /nfs/dbraw/zinc/65/84/40/387658440.db2.gz XTGPEDRPGKZJEF-UGFHNGPFSA-N 2 1 234.387 2.273 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)CC[N@@H+]1C ZINC000125701274 387664311 /nfs/dbraw/zinc/66/43/11/387664311.db2.gz IJHWSPOPFGSWOU-JHJVBQTASA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)CC[N@H+]1C ZINC000125701274 387664314 /nfs/dbraw/zinc/66/43/14/387664314.db2.gz IJHWSPOPFGSWOU-JHJVBQTASA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)[C@@H]1C[C@H]1C1CC1 ZINC000527714008 387670156 /nfs/dbraw/zinc/67/01/56/387670156.db2.gz YDJWVYMNYCHPOS-IXOXFDKPSA-N 2 1 245.370 2.291 20 0 BEADMP CC[C@@H]([NH2+]CCOC1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422772598 387671114 /nfs/dbraw/zinc/67/11/14/387671114.db2.gz XEFVYJOEJYCJBQ-KGLIPLIRSA-N 2 1 240.391 2.066 20 0 BEADMP CCc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])s1 ZINC000422870626 387748991 /nfs/dbraw/zinc/74/89/91/387748991.db2.gz ZCRMOGZJYNSZNN-RYUDHWBXSA-N 2 1 224.373 2.280 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3cccnc32)CC[NH2+]1 ZINC000643526172 387749901 /nfs/dbraw/zinc/74/99/01/387749901.db2.gz RUDCHOOVYGMSGO-BNOWGMLFSA-N 2 1 245.370 2.189 20 0 BEADMP CO[C@H](C)[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000128554177 387750025 /nfs/dbraw/zinc/75/00/25/387750025.db2.gz IJROWCHYEGUBNK-MELADBBJSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CC12CC2 ZINC000527845775 387752292 /nfs/dbraw/zinc/75/22/92/387752292.db2.gz JKJFMHBZOWMRJY-RISCZKNCSA-N 2 1 234.387 2.391 20 0 BEADMP C[NH2+][C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC000150060664 387698665 /nfs/dbraw/zinc/69/86/65/387698665.db2.gz XCYSYKUBEYTKBT-ZDUSSCGKSA-N 2 1 210.365 2.251 20 0 BEADMP C[NH2+][C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC000150060664 387698670 /nfs/dbraw/zinc/69/86/70/387698670.db2.gz XCYSYKUBEYTKBT-ZDUSSCGKSA-N 2 1 210.365 2.251 20 0 BEADMP Cc1ccc2[nH]c(C[NH2+][C@H](C)C[C@H](C)[NH3+])nc2c1 ZINC000422801794 387703341 /nfs/dbraw/zinc/70/33/41/387703341.db2.gz AOCWFZIVNRZFMS-WDEREUQCSA-N 2 1 246.358 2.087 20 0 BEADMP Cc1ccc2nc(C[NH2+][C@H](C)C[C@H](C)[NH3+])[nH]c2c1 ZINC000422801794 387703344 /nfs/dbraw/zinc/70/33/44/387703344.db2.gz AOCWFZIVNRZFMS-WDEREUQCSA-N 2 1 246.358 2.087 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000422809985 387708168 /nfs/dbraw/zinc/70/81/68/387708168.db2.gz MXLDHRPNOQDGIK-ZFWWWQNUSA-N 2 1 244.382 2.306 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)Cc1cccs1)[C@H]1CCC[NH2+]1 ZINC000422809714 387709161 /nfs/dbraw/zinc/70/91/61/387709161.db2.gz QGTXZYHWYFYWPY-DMDPSCGWSA-N 2 1 238.400 2.409 20 0 BEADMP CC[C@H]([NH2+]C[C@@H](OC)C(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000422812441 387711095 /nfs/dbraw/zinc/71/10/95/387711095.db2.gz QIQVNLBTLAROEM-RWMBFGLXSA-N 2 1 242.407 2.168 20 0 BEADMP CCc1cccnc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522609 387719644 /nfs/dbraw/zinc/71/96/44/387719644.db2.gz QCPNMPNSAQDZMT-OCCSQVGLSA-N 2 1 247.386 2.437 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CC23CC3)C1 ZINC000527849183 387755597 /nfs/dbraw/zinc/75/55/97/387755597.db2.gz KSDOVBIZQVIOMC-UPJWGTAASA-N 2 1 222.376 2.106 20 0 BEADMP CC[N@H+](CC[NH2+][C@H](C)[C@H]1CCCOC1)C(C)C ZINC000356831676 387727134 /nfs/dbraw/zinc/72/71/34/387727134.db2.gz DZKCSRWWNOTSDP-KGLIPLIRSA-N 2 1 242.407 2.121 20 0 BEADMP CC[N@@H+](CC[NH2+][C@H](C)[C@H]1CCCOC1)C(C)C ZINC000356831676 387727138 /nfs/dbraw/zinc/72/71/38/387727138.db2.gz DZKCSRWWNOTSDP-KGLIPLIRSA-N 2 1 242.407 2.121 20 0 BEADMP Cc1cccc(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422844059 387731654 /nfs/dbraw/zinc/73/16/54/387731654.db2.gz KSKFYSSIUNHHOT-DZGCQCFKSA-N 2 1 232.371 2.125 20 0 BEADMP COCCCCC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000452095738 387734970 /nfs/dbraw/zinc/73/49/70/387734970.db2.gz LYKLPQDCKJAKHC-UHFFFAOYSA-N 2 1 242.407 2.267 20 0 BEADMP CC[C@@H]([NH2+]C[C@H](C)[NH3+])c1cccc(C)c1 ZINC000643527168 387762332 /nfs/dbraw/zinc/76/23/32/387762332.db2.gz KGMVFEDZVIBKHU-WCQYABFASA-N 2 1 206.333 2.383 20 0 BEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CC12CC2 ZINC000527905331 387762737 /nfs/dbraw/zinc/76/27/37/387762737.db2.gz NJIRALPBUZSAAA-WYTNZGFTSA-N 2 1 234.387 2.390 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000643527609 387765832 /nfs/dbraw/zinc/76/58/32/387765832.db2.gz PFBUEJOUNSRWRJ-HZMBPMFUSA-N 2 1 243.354 2.482 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000643527534 387766548 /nfs/dbraw/zinc/76/65/48/387766548.db2.gz OFGAILHCUQNNHB-ZANVPECISA-N 2 1 222.307 2.140 20 0 BEADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)[NH3+])CCC2 ZINC000643528397 387769845 /nfs/dbraw/zinc/76/98/45/387769845.db2.gz IRJWJSKJTXKHFO-YGRLFVJLSA-N 2 1 234.343 2.009 20 0 BEADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@H](C)[NH3+] ZINC000643528058 387774407 /nfs/dbraw/zinc/77/44/07/387774407.db2.gz YJLCFIKYFOZJNE-NTZNESFSSA-N 2 1 218.344 2.480 20 0 BEADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](C)[NH3+] ZINC000643528057 387775200 /nfs/dbraw/zinc/77/52/00/387775200.db2.gz YJLCFIKYFOZJNE-NQBHXWOUSA-N 2 1 218.344 2.480 20 0 BEADMP CC[C@H]([NH2+]C[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000643529219 387775465 /nfs/dbraw/zinc/77/54/65/387775465.db2.gz WZSLMNJQCYBMHK-MFKMUULPSA-N 2 1 222.332 2.083 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[C@@H]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422925045 387778175 /nfs/dbraw/zinc/77/81/75/387778175.db2.gz UYEFJSUMHCSKDX-QCEMKRCNSA-N 2 1 244.382 2.348 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[C@@H]1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422925041 387778453 /nfs/dbraw/zinc/77/84/53/387778453.db2.gz UYEFJSUMHCSKDX-ARLBYUKCSA-N 2 1 244.382 2.348 20 0 BEADMP CCCC1(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422929200 387780793 /nfs/dbraw/zinc/78/07/93/387780793.db2.gz ORNWFJURQGSDNM-NWDGAFQWSA-N 2 1 210.365 2.154 20 0 BEADMP CC(C)CC1(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422928837 387781227 /nfs/dbraw/zinc/78/12/27/387781227.db2.gz MYBAAUGKKXYXTB-OLZOCXBDSA-N 2 1 224.392 2.400 20 0 BEADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000442662741 387812769 /nfs/dbraw/zinc/81/27/69/387812769.db2.gz IEIHQQZPXRPMPT-OCCSQVGLSA-N 2 1 218.344 2.041 20 0 BEADMP CCC(CC)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432423226 387788956 /nfs/dbraw/zinc/78/89/56/387788956.db2.gz IXVBDLDWHWWQAB-CYBMUJFWSA-N 2 1 242.407 2.266 20 0 BEADMP CCC(CC)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432423226 387788959 /nfs/dbraw/zinc/78/89/59/387788959.db2.gz IXVBDLDWHWWQAB-CYBMUJFWSA-N 2 1 242.407 2.266 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC000422981032 387791223 /nfs/dbraw/zinc/79/12/23/387791223.db2.gz RXHRYCQCUGFETI-QLNSKBQOSA-N 2 1 216.328 2.169 20 0 BEADMP CCCC(O)(CCC)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422980177 387791553 /nfs/dbraw/zinc/79/15/53/387791553.db2.gz OTHASFRLQUHXKM-STQMWFEESA-N 2 1 242.407 2.048 20 0 BEADMP C[C@@H]([NH2+]Cc1coc2ccccc12)C1C[NH2+]C1 ZINC000422983841 387794673 /nfs/dbraw/zinc/79/46/73/387794673.db2.gz VINWFMGJWNOBKI-SNVBAGLBSA-N 2 1 230.311 2.130 20 0 BEADMP Cc1ncccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000527983049 387799330 /nfs/dbraw/zinc/79/93/30/387799330.db2.gz BTTHFXRXLHLRCQ-LALPHHSUSA-N 2 1 247.386 2.208 20 0 BEADMP Cc1ncccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000527983049 387799333 /nfs/dbraw/zinc/79/93/33/387799333.db2.gz BTTHFXRXLHLRCQ-LALPHHSUSA-N 2 1 247.386 2.208 20 0 BEADMP CC(C)=CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152484203 387801888 /nfs/dbraw/zinc/80/18/88/387801888.db2.gz ZRSQSFWIABCRTH-ZDUSSCGKSA-N 2 1 210.365 2.226 20 0 BEADMP CC(C)=CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152484203 387801894 /nfs/dbraw/zinc/80/18/94/387801894.db2.gz ZRSQSFWIABCRTH-ZDUSSCGKSA-N 2 1 210.365 2.226 20 0 BEADMP CC(C)=CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152484203 387801899 /nfs/dbraw/zinc/80/18/99/387801899.db2.gz ZRSQSFWIABCRTH-ZDUSSCGKSA-N 2 1 210.365 2.226 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000422995000 387803451 /nfs/dbraw/zinc/80/34/51/387803451.db2.gz WUJJJHQGJTUXDI-GMTAPVOTSA-N 2 1 232.318 2.152 20 0 BEADMP C[C@@H]([NH2+]CCCc1ccccn1)[C@@H]1CCCC[NH2+]1 ZINC000423000956 387805084 /nfs/dbraw/zinc/80/50/84/387805084.db2.gz WJOQEWUNPAWVCY-HIFRSBDPSA-N 2 1 247.386 2.134 20 0 BEADMP CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000527999756 387807603 /nfs/dbraw/zinc/80/76/03/387807603.db2.gz PNJQENJOMPWFCQ-RQJABVFESA-N 2 1 240.391 2.015 20 0 BEADMP CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000527999756 387807606 /nfs/dbraw/zinc/80/76/06/387807606.db2.gz PNJQENJOMPWFCQ-RQJABVFESA-N 2 1 240.391 2.015 20 0 BEADMP CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000527999754 387808399 /nfs/dbraw/zinc/80/83/99/387808399.db2.gz PNJQENJOMPWFCQ-DGAVXFQQSA-N 2 1 240.391 2.015 20 0 BEADMP CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000527999754 387808402 /nfs/dbraw/zinc/80/84/02/387808402.db2.gz PNJQENJOMPWFCQ-DGAVXFQQSA-N 2 1 240.391 2.015 20 0 BEADMP C[C@@H]([NH2+]C1(c2ccc(F)cc2)CC1)C1C[NH2+]C1 ZINC000422955616 387808877 /nfs/dbraw/zinc/80/88/77/387808877.db2.gz JTQWHWOJPMUDBC-SNVBAGLBSA-N 2 1 234.318 2.012 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000643527041 387759288 /nfs/dbraw/zinc/75/92/88/387759288.db2.gz CFBIPNJURWATFP-MFKMUULPSA-N 2 1 204.317 2.075 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000643527057 387759843 /nfs/dbraw/zinc/75/98/43/387759843.db2.gz COEPVTWVMNSRME-QPUJVOFHSA-N 2 1 224.735 2.264 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432796995 387821934 /nfs/dbraw/zinc/82/19/34/387821934.db2.gz JMJIMIQSQHVICG-UPJWGTAASA-N 2 1 210.365 2.059 20 0 BEADMP Cc1occc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000320976995 387826353 /nfs/dbraw/zinc/82/63/53/387826353.db2.gz PKGYZTRRVQZIIA-ZIAGYGMSSA-N 2 1 234.343 2.304 20 0 BEADMP Cc1occc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000320976995 387826360 /nfs/dbraw/zinc/82/63/60/387826360.db2.gz PKGYZTRRVQZIIA-ZIAGYGMSSA-N 2 1 234.343 2.304 20 0 BEADMP Cc1cnccc1CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423008381 387830602 /nfs/dbraw/zinc/83/06/02/387830602.db2.gz ABJOKCJOCZNILF-DZGCQCFKSA-N 2 1 247.386 2.053 20 0 BEADMP Cc1ccsc1CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423013406 387835574 /nfs/dbraw/zinc/83/55/74/387835574.db2.gz FVHZNSRSQRKIJM-VXGBXAGGSA-N 2 1 238.400 2.329 20 0 BEADMP C[NH+](C)CCC[N@@H+](C)CC1Cc2ccccc2C1 ZINC000582578267 387851307 /nfs/dbraw/zinc/85/13/07/387851307.db2.gz UMYFLVQKDFFZDT-UHFFFAOYSA-N 2 1 246.398 2.285 20 0 BEADMP CC[C@H](CC(F)(F)F)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423042239 387855991 /nfs/dbraw/zinc/85/59/91/387855991.db2.gz YTGLDEJHWUOTKF-OPRDCNLKSA-N 2 1 238.297 2.448 20 0 BEADMP CSCCCCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423049091 387858295 /nfs/dbraw/zinc/85/82/95/387858295.db2.gz IVVXBFMYAZZTCX-RYUDHWBXSA-N 2 1 230.421 2.107 20 0 BEADMP C[N@@H+]1C[C@@H]2C[NH+](CC3CCCCCC3)C[C@@H]2C1 ZINC000193630928 387858401 /nfs/dbraw/zinc/85/84/01/387858401.db2.gz MGEQRVDCKVUWTG-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP CCC(O)(CC)CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423066277 387869162 /nfs/dbraw/zinc/86/91/62/387869162.db2.gz DHSWEGUDQHVBBT-STQMWFEESA-N 2 1 242.407 2.048 20 0 BEADMP Cc1cc(NC[C@@H]2CC[N@H+]2C2CCCC2)cc[nH+]1 ZINC000528205917 387869917 /nfs/dbraw/zinc/86/99/17/387869917.db2.gz ATLFPJQGAODOMQ-HNNXBMFYSA-N 2 1 245.370 2.241 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC(C)(C)C1 ZINC000309512976 387813804 /nfs/dbraw/zinc/81/38/04/387813804.db2.gz QFTVEKYENOXINF-NSHDSACASA-N 2 1 221.348 2.131 20 0 BEADMP CC[C@H]([NH2+]CCc1ccccc1O)[C@@H]1CCC[NH2+]1 ZINC000422970280 387819423 /nfs/dbraw/zinc/81/94/23/387819423.db2.gz FSYKGJRQBALZGC-KBPBESRZSA-N 2 1 248.370 2.055 20 0 BEADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423105668 387891395 /nfs/dbraw/zinc/89/13/95/387891395.db2.gz ZFNQESXXNPYYIA-FVCCEPFGSA-N 2 1 210.365 2.010 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194536165 387891508 /nfs/dbraw/zinc/89/15/08/387891508.db2.gz KRVZXGLBXOSOMF-BARDWOONSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194536165 387891513 /nfs/dbraw/zinc/89/15/13/387891513.db2.gz KRVZXGLBXOSOMF-BARDWOONSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000194536165 387891516 /nfs/dbraw/zinc/89/15/16/387891516.db2.gz KRVZXGLBXOSOMF-BARDWOONSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000157893529 387880971 /nfs/dbraw/zinc/88/09/71/387880971.db2.gz MCRPDVMSLZZPJJ-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000643540609 387882283 /nfs/dbraw/zinc/88/22/83/387882283.db2.gz YHZCSQVAJDKTTO-CMPLNLGQSA-N 2 1 221.348 2.086 20 0 BEADMP C=Cc1ccc(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000423139521 387916814 /nfs/dbraw/zinc/91/68/14/387916814.db2.gz LAQHEVZJPRNSPZ-BBRMVZONSA-N 2 1 244.382 2.460 20 0 BEADMP CC[C@@H]([NH2+]CCc1ncccc1C)[C@@H]1CCC[NH2+]1 ZINC000423151310 387930083 /nfs/dbraw/zinc/93/00/83/387930083.db2.gz JSVMSPRDKUPOSZ-HIFRSBDPSA-N 2 1 247.386 2.053 20 0 BEADMP CC[C@H](C)[C@H](C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1)OC ZINC000423152469 387933110 /nfs/dbraw/zinc/93/31/10/387933110.db2.gz FEMSMKPBRPPBLE-XUXIUFHCSA-N 2 1 242.407 2.168 20 0 BEADMP CC[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423155338 387933788 /nfs/dbraw/zinc/93/37/88/387933788.db2.gz IZIHXKAUWIWWMW-DGAVXFQQSA-N 2 1 224.392 2.400 20 0 BEADMP C[C@H]([NH2+]CCC(C)(F)F)c1c[nH+]ccc1N ZINC000423143666 387920992 /nfs/dbraw/zinc/92/09/92/387920992.db2.gz DPWPUNRCYYDZQP-QMMMGPOBSA-N 2 1 229.274 2.190 20 0 BEADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000423145446 387922301 /nfs/dbraw/zinc/92/23/01/387922301.db2.gz KROIIFBEYNSCBR-NOOOWODRSA-N 2 1 214.328 2.127 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)nc1 ZINC000423168348 387953003 /nfs/dbraw/zinc/95/30/03/387953003.db2.gz ULGWBKCDRWUWAQ-DZGCQCFKSA-N 2 1 247.386 2.053 20 0 BEADMP CC(C)C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044535008 387937930 /nfs/dbraw/zinc/93/79/30/387937930.db2.gz PFZADHSVZZJEMN-STQMWFEESA-N 2 1 212.381 2.352 20 0 BEADMP CCCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044533298 387938342 /nfs/dbraw/zinc/93/83/42/387938342.db2.gz HGYXWFGDEOULSL-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1C[C@H]1C ZINC000321056697 387939083 /nfs/dbraw/zinc/93/90/83/387939083.db2.gz HVZMEESONKCQFP-QMVSFRDZSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1C[C@H]1C ZINC000321056697 387939087 /nfs/dbraw/zinc/93/90/87/387939087.db2.gz HVZMEESONKCQFP-QMVSFRDZSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H](CC(C)(C)C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423166162 387949881 /nfs/dbraw/zinc/94/98/81/387949881.db2.gz QSHZZWLEYUCRRX-UTUOFQBUSA-N 2 1 212.381 2.399 20 0 BEADMP FCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423186523 387972123 /nfs/dbraw/zinc/97/21/23/387972123.db2.gz KFPNQBQZAQQYRB-AVGNSLFASA-N 2 1 228.355 2.246 20 0 BEADMP C[C@H](CCc1ccc(Cl)s1)[NH2+]CC[NH3+] ZINC000423175739 387961216 /nfs/dbraw/zinc/96/12/16/387961216.db2.gz BAGJFTQWMFSBOQ-MRVPVSSYSA-N 2 1 232.780 2.271 20 0 BEADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]CC[NH3+] ZINC000423178001 387964948 /nfs/dbraw/zinc/96/49/48/387964948.db2.gz FMAYBHKGFZVTFM-CQSZACIVSA-N 2 1 220.360 2.192 20 0 BEADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423186047 387969444 /nfs/dbraw/zinc/96/94/44/387969444.db2.gz JWCQKRMKPLXLAF-UTUOFQBUSA-N 2 1 210.365 2.153 20 0 BEADMP CC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1CC1 ZINC000423193989 387980614 /nfs/dbraw/zinc/98/06/14/387980614.db2.gz XWBASJHFZIWAPJ-OAHLLOKOSA-N 2 1 247.386 2.340 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccnc1 ZINC000424338226 387980771 /nfs/dbraw/zinc/98/07/71/387980771.db2.gz UHJYWCYSMSHFQZ-CYZMBNFOSA-N 2 1 219.332 2.002 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccn2C)[C@@H](C)C1 ZINC000245748993 387981084 /nfs/dbraw/zinc/98/10/84/387981084.db2.gz NLSGIZXCDASZHO-ZFWWWQNUSA-N 2 1 249.402 2.187 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccn2C)[C@@H](C)C1 ZINC000245748993 387981088 /nfs/dbraw/zinc/98/10/88/387981088.db2.gz NLSGIZXCDASZHO-ZFWWWQNUSA-N 2 1 249.402 2.187 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccn2C)[C@@H](C)C1 ZINC000245748993 387981092 /nfs/dbraw/zinc/98/10/92/387981092.db2.gz NLSGIZXCDASZHO-ZFWWWQNUSA-N 2 1 249.402 2.187 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccn2C)[C@@H](C)C1 ZINC000245748993 387981095 /nfs/dbraw/zinc/98/10/95/387981095.db2.gz NLSGIZXCDASZHO-ZFWWWQNUSA-N 2 1 249.402 2.187 20 0 BEADMP C[C@@H]([NH2+]CC[NH3+])[C@@H](C)c1nc2ccccc2s1 ZINC000423189211 387972904 /nfs/dbraw/zinc/97/29/04/387972904.db2.gz QNPSGUNDSKHKFM-NXEZZACHSA-N 2 1 249.383 2.337 20 0 BEADMP C[NH+](C)[C@H](C[NH2+][C@H](C1CC1)C1CCC1)C1CC1 ZINC000453059353 387974760 /nfs/dbraw/zinc/97/47/60/387974760.db2.gz KYHNIVGCRXBIMN-CABCVRRESA-N 2 1 236.403 2.495 20 0 BEADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC[NH3+])cc1 ZINC000423191506 387975730 /nfs/dbraw/zinc/97/57/30/387975730.db2.gz UIPFTRDQYXDTEW-KBPBESRZSA-N 2 1 218.344 2.179 20 0 BEADMP [NH3+]CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000423192032 387977712 /nfs/dbraw/zinc/97/77/12/387977712.db2.gz VEPULRPNHJWIGW-CHWSQXEVSA-N 2 1 222.307 2.010 20 0 BEADMP C[NH2+]CCC[NH2+][C@@H](C)c1sccc1OC ZINC000423202533 387989374 /nfs/dbraw/zinc/98/93/74/387989374.db2.gz QXAIFRPPZGTFKL-VIFPVBQESA-N 2 1 228.361 2.017 20 0 BEADMP Cc1ccnc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000423206819 387990882 /nfs/dbraw/zinc/99/08/82/387990882.db2.gz CDADKPFXQNFRII-MELADBBJSA-N 2 1 247.386 2.429 20 0 BEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(O)c1 ZINC000423205525 387991164 /nfs/dbraw/zinc/99/11/64/387991164.db2.gz BURTWKKUAMWJGA-BKQLOGFTSA-N 2 1 246.354 2.326 20 0 BEADMP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000423211977 387995637 /nfs/dbraw/zinc/99/56/37/387995637.db2.gz ZICMUJODDAVIRI-CVEARBPZSA-N 2 1 244.382 2.268 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(O)c1 ZINC000424371364 387997334 /nfs/dbraw/zinc/99/73/34/387997334.db2.gz FXUFIQYXNOJIKK-ZLKJLUDKSA-N 2 1 234.343 2.313 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000420410159 387999468 /nfs/dbraw/zinc/99/94/68/387999468.db2.gz RDDWRYMFLLYILQ-YDHLFZDLSA-N 2 1 248.370 2.091 20 0 BEADMP Cc1ccccc1C[C@H]([NH2+][C@@H]1CC[NH2+]C1)C1CC1 ZINC000423219018 388000710 /nfs/dbraw/zinc/00/07/10/388000710.db2.gz VMEXWWZPMMHYRI-CVEARBPZSA-N 2 1 244.382 2.268 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)CC(F)(F)F)CC1 ZINC000159322777 388007679 /nfs/dbraw/zinc/00/76/79/388007679.db2.gz VDUTZUKRCQRHSN-SECBINFHSA-N 2 1 238.297 2.401 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000423226524 388009568 /nfs/dbraw/zinc/00/95/68/388009568.db2.gz RBHFIRKJNYIBGA-UONOGXRCSA-N 2 1 232.371 2.378 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000423226525 388010145 /nfs/dbraw/zinc/01/01/45/388010145.db2.gz RBHFIRKJNYIBGA-ZIAGYGMSSA-N 2 1 232.371 2.378 20 0 BEADMP C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246108361 388010453 /nfs/dbraw/zinc/01/04/53/388010453.db2.gz BROXFNVAOGTROQ-OLZOCXBDSA-N 2 1 233.359 2.026 20 0 BEADMP C[C@H](c1ccccn1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246108361 388010455 /nfs/dbraw/zinc/01/04/55/388010455.db2.gz BROXFNVAOGTROQ-OLZOCXBDSA-N 2 1 233.359 2.026 20 0 BEADMP C[NH2+]CC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000423240454 388024804 /nfs/dbraw/zinc/02/48/04/388024804.db2.gz GXXGRNZFMSOHCD-SECBINFHSA-N 2 1 220.307 2.009 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](CCC(C)C)C1CC1 ZINC000423240874 388024949 /nfs/dbraw/zinc/02/49/49/388024949.db2.gz UEMJCOUXLLSLRB-CYBMUJFWSA-N 2 1 212.381 2.400 20 0 BEADMP CC[N@H+](CC[NH2+][C@H](C)C1(C)CC1)C(C)C ZINC000156632746 388012964 /nfs/dbraw/zinc/01/29/64/388012964.db2.gz DMAPIPKBLYIXON-GFCCVEGCSA-N 2 1 212.381 2.495 20 0 BEADMP CC[N@@H+](CC[NH2+][C@H](C)C1(C)CC1)C(C)C ZINC000156632746 388012967 /nfs/dbraw/zinc/01/29/67/388012967.db2.gz DMAPIPKBLYIXON-GFCCVEGCSA-N 2 1 212.381 2.495 20 0 BEADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000423231925 388016957 /nfs/dbraw/zinc/01/69/57/388016957.db2.gz HMDARNNJVIZZHM-OLZOCXBDSA-N 2 1 212.381 2.400 20 0 BEADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423234925 388019394 /nfs/dbraw/zinc/01/93/94/388019394.db2.gz MQSKXADAYFHGOX-HIFRSBDPSA-N 2 1 247.386 2.307 20 0 BEADMP CC[NH2+]CC[NH2+][C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000423253928 388034754 /nfs/dbraw/zinc/03/47/54/388034754.db2.gz ZYRVRXJYVGDZNN-QWHCGFSZSA-N 2 1 242.407 2.025 20 0 BEADMP CC[NH2+]CC[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000423253477 388034908 /nfs/dbraw/zinc/03/49/08/388034908.db2.gz ZDWVYSZYDMBKQR-STQMWFEESA-N 2 1 212.381 2.400 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)C1CC1 ZINC000453292790 388036756 /nfs/dbraw/zinc/03/67/56/388036756.db2.gz PEBXKBQERWLNBE-YXCITZCRSA-N 2 1 222.376 2.247 20 0 BEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCC12CCC2 ZINC000423257883 388038716 /nfs/dbraw/zinc/03/87/16/388038716.db2.gz ANAOBHKJWWCISB-NWDGAFQWSA-N 2 1 210.365 2.282 20 0 BEADMP COCC1CCC([NH2+][C@H](C[NH3+])CC(C)C)CC1 ZINC000423257899 388038774 /nfs/dbraw/zinc/03/87/74/388038774.db2.gz AOAFPJWXOSKZTL-RUXDESIVSA-N 2 1 242.407 2.155 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000083055511 388044548 /nfs/dbraw/zinc/04/45/48/388044548.db2.gz GNWFSRFGQZOYQH-SMDDNHRTSA-N 2 1 222.376 2.249 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000083055228 388044561 /nfs/dbraw/zinc/04/45/61/388044561.db2.gz XEEOEKZVZYWSKH-BFHYXJOUSA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000083055228 388044563 /nfs/dbraw/zinc/04/45/63/388044563.db2.gz XEEOEKZVZYWSKH-BFHYXJOUSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CCCCC2)[C@@H](C)O1 ZINC000423263469 388042500 /nfs/dbraw/zinc/04/25/00/388042500.db2.gz OKSVSCOODVWDDW-MHDGFBEUSA-N 2 1 240.391 2.050 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)C1CCSCC1 ZINC000423263476 388042733 /nfs/dbraw/zinc/04/27/33/388042733.db2.gz OKWAQBHKDGMTNQ-DGCLKSJQSA-N 2 1 244.448 2.481 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000423265607 388043269 /nfs/dbraw/zinc/04/32/69/388043269.db2.gz CJWNUNQMSOXOCA-KOLCDFICSA-N 2 1 224.348 2.403 20 0 BEADMP C[NH2+]CC[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000423244692 388027539 /nfs/dbraw/zinc/02/75/39/388027539.db2.gz LTSUYZNZTAZOLW-SNVBAGLBSA-N 2 1 242.313 2.095 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CC(C)(F)C1 ZINC000453256544 388028472 /nfs/dbraw/zinc/02/84/72/388028472.db2.gz UFZLSYQEUJIYML-LLDQHTGMSA-N 2 1 228.355 2.195 20 0 BEADMP CC[NH+]1CCC([NH2+]Cc2cc(C)nc(C)c2)CC1 ZINC000421390423 388029622 /nfs/dbraw/zinc/02/96/22/388029622.db2.gz UQVVWGDQUTVHPF-UHFFFAOYSA-N 2 1 247.386 2.272 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1C[C@H](OCC)C1(CC)CC ZINC000423246209 388030078 /nfs/dbraw/zinc/03/00/78/388030078.db2.gz MZVQWZONABTOAW-OLZOCXBDSA-N 2 1 242.407 2.169 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000423271976 388051553 /nfs/dbraw/zinc/05/15/53/388051553.db2.gz JNDRSFLUHLLPKC-VHSXEESVSA-N 2 1 242.313 2.471 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@H]1CCc2c1cccc2F)C1CC1 ZINC000423275021 388054570 /nfs/dbraw/zinc/05/45/70/388054570.db2.gz LHZLZFGBYWVDSD-KBPBESRZSA-N 2 1 234.318 2.140 20 0 BEADMP CCC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1cccnc1 ZINC000423274530 388054958 /nfs/dbraw/zinc/05/49/58/388054958.db2.gz MEYXVSIZONJWOK-KBPBESRZSA-N 2 1 235.375 2.496 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(C)o1 ZINC000423276970 388058154 /nfs/dbraw/zinc/05/81/54/388058154.db2.gz PBUGZUSGHFOECJ-MWLCHTKSSA-N 2 1 210.321 2.094 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccccc1F ZINC000423277649 388059004 /nfs/dbraw/zinc/05/90/04/388059004.db2.gz QFCRGSTZPDRLHE-GHMZBOCLSA-N 2 1 224.323 2.332 20 0 BEADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000453362263 388059784 /nfs/dbraw/zinc/05/97/84/388059784.db2.gz QYNAGTXDMHYPFM-XUXIUFHCSA-N 2 1 224.392 2.351 20 0 BEADMP CCOc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423278685 388060300 /nfs/dbraw/zinc/06/03/00/388060300.db2.gz QDIREWNGNUWXIW-XHDPSFHLSA-N 2 1 248.370 2.473 20 0 BEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccccc1 ZINC000083764280 388060504 /nfs/dbraw/zinc/06/05/04/388060504.db2.gz AJQWVHPCMVCJGM-LBPRGKRZSA-N 2 1 206.333 2.150 20 0 BEADMP COc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)c(C)c1 ZINC000423279630 388061582 /nfs/dbraw/zinc/06/15/82/388061582.db2.gz RTGSSDJYXSSTRW-XHDPSFHLSA-N 2 1 248.370 2.392 20 0 BEADMP [NH3+]C[C@H]([NH2+]C1C2CC3CC(C2)CC1C3)C1CC1 ZINC000423280465 388061587 /nfs/dbraw/zinc/06/15/87/388061587.db2.gz SQBJGFPWYNUSBY-RQDKRIMHSA-N 2 1 234.387 2.138 20 0 BEADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(OC)cc1 ZINC000423279884 388061960 /nfs/dbraw/zinc/06/19/60/388061960.db2.gz RYEYMKDODFNTCV-HUUCEWRRSA-N 2 1 248.370 2.473 20 0 BEADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(OC)c1 ZINC000423284552 388067388 /nfs/dbraw/zinc/06/73/88/388067388.db2.gz WWHHICJMZFGKEQ-CABCVRRESA-N 2 1 248.370 2.473 20 0 BEADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423287212 388072142 /nfs/dbraw/zinc/07/21/42/388072142.db2.gz KWWZPXVZVLKNQS-AAEUAGOBSA-N 2 1 236.359 2.090 20 0 BEADMP CC[C@@H]([NH2+]CC(C)(C)[NH3+])c1cccc(OC)c1 ZINC000423288398 388072638 /nfs/dbraw/zinc/07/26/38/388072638.db2.gz RYZFXNPPEJTZMN-CYBMUJFWSA-N 2 1 236.359 2.473 20 0 BEADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccccc1N(C)C ZINC000423287740 388072753 /nfs/dbraw/zinc/07/27/53/388072753.db2.gz ODANGMUKYKNVLN-NSHDSACASA-N 2 1 235.375 2.141 20 0 BEADMP COc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)[NH3+])CC2 ZINC000423289776 388074683 /nfs/dbraw/zinc/07/46/83/388074683.db2.gz YETIBEKIVJLRGN-CYBMUJFWSA-N 2 1 234.343 2.009 20 0 BEADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000084221685 388075377 /nfs/dbraw/zinc/07/53/77/388075377.db2.gz HIMFLNDJATVPDK-VNHYZAJKSA-N 2 1 248.345 2.428 20 0 BEADMP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](C)CC2)C1 ZINC000084340856 388076461 /nfs/dbraw/zinc/07/64/61/388076461.db2.gz ULTNISVWZAPNJP-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CSC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000336658276 388076820 /nfs/dbraw/zinc/07/68/20/388076820.db2.gz BHMPUCLPWKORBM-RVMXOQNASA-N 2 1 242.432 2.200 20 0 BEADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CCCNCC2)C1 ZINC000346679777 388081474 /nfs/dbraw/zinc/08/14/74/388081474.db2.gz ATFAJTWAGNAPFJ-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP CC[C@@H]1CCC[C@@H](CN2CCC[NH2+]CC2)C1 ZINC000346679777 388081477 /nfs/dbraw/zinc/08/14/77/388081477.db2.gz ATFAJTWAGNAPFJ-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP Cc1ccc(F)c(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000084946414 388081611 /nfs/dbraw/zinc/08/16/11/388081611.db2.gz AZJHMHJMJIQWRQ-RISCZKNCSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1ccc(F)c(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000084946414 388081612 /nfs/dbraw/zinc/08/16/12/388081612.db2.gz AZJHMHJMJIQWRQ-RISCZKNCSA-N 2 1 236.334 2.303 20 0 BEADMP C(C1CCCCCC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282045 388085862 /nfs/dbraw/zinc/08/58/62/388085862.db2.gz VBPQKOQVDGJQBO-OKILXGFUSA-N 2 1 222.376 2.108 20 0 BEADMP C[C@@H]1CSC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453593598 388089031 /nfs/dbraw/zinc/08/90/31/388089031.db2.gz GWQAGDSOTHXION-YPMHNXCESA-N 2 1 242.432 2.202 20 0 BEADMP CC(C)OC[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453601803 388090402 /nfs/dbraw/zinc/09/04/02/388090402.db2.gz VXSUWSNQTSBKPO-CYBMUJFWSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@H](c1ccccn1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000086637302 388105658 /nfs/dbraw/zinc/10/56/58/388105658.db2.gz AHCBPQFLILGHIJ-LLVKDONJSA-N 2 1 221.348 2.059 20 0 BEADMP C[C@H](c1ccccn1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086637302 388105661 /nfs/dbraw/zinc/10/56/61/388105661.db2.gz AHCBPQFLILGHIJ-LLVKDONJSA-N 2 1 221.348 2.059 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccccc1OC ZINC000423267071 388045723 /nfs/dbraw/zinc/04/57/23/388045723.db2.gz DTHOHZGOZJBPQL-VXGBXAGGSA-N 2 1 236.359 2.201 20 0 BEADMP [NH3+]C[C@@H]([NH2+][C@H]1CCC12CCCC2)C1CC1 ZINC000423267637 388045921 /nfs/dbraw/zinc/04/59/21/388045921.db2.gz CZLVLXWNHWQZBK-NEPJUHHUSA-N 2 1 208.349 2.036 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000160134356 388046805 /nfs/dbraw/zinc/04/68/05/388046805.db2.gz ARNMVPKEMSYOGP-MCIONIFRSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000160134356 388046808 /nfs/dbraw/zinc/04/68/08/388046808.db2.gz ARNMVPKEMSYOGP-MCIONIFRSA-N 2 1 242.407 2.121 20 0 BEADMP CC/C=C\C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000453332243 388048824 /nfs/dbraw/zinc/04/88/24/388048824.db2.gz VTNFZKLMTDQAFK-YNLGZWBXSA-N 2 1 222.376 2.415 20 0 BEADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@H](C)C[NH2+]C ZINC000423269535 388049043 /nfs/dbraw/zinc/04/90/43/388049043.db2.gz HDPOGCFBDWFGFO-VXGBXAGGSA-N 2 1 235.375 2.150 20 0 BEADMP C[NH+]1CCC([NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000083371994 388049953 /nfs/dbraw/zinc/04/99/53/388049953.db2.gz PRWAQSITIDPMKQ-UHFFFAOYSA-N 2 1 243.354 2.352 20 0 BEADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000423270206 388050131 /nfs/dbraw/zinc/05/01/31/388050131.db2.gz GHEBNJUBZUOUFD-ZIAGYGMSSA-N 2 1 218.344 2.465 20 0 BEADMP CCc1cccnc1[C@H](C)[NH2+]C[C@H](C)C[NH2+]C ZINC000423269532 388050165 /nfs/dbraw/zinc/05/01/65/388050165.db2.gz HDPOGCFBDWFGFO-NEPJUHHUSA-N 2 1 235.375 2.150 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000449330517 388174177 /nfs/dbraw/zinc/17/41/77/388174177.db2.gz UKSQVYFHWWCYKW-RWMBFGLXSA-N 2 1 244.448 2.448 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000449330517 388174178 /nfs/dbraw/zinc/17/41/78/388174178.db2.gz UKSQVYFHWWCYKW-RWMBFGLXSA-N 2 1 244.448 2.448 20 0 BEADMP C([NH2+][C@@H](C1CC1)C1CCC1)[C@H]1CCCC[NH2+]1 ZINC000324846570 388124936 /nfs/dbraw/zinc/12/49/36/388124936.db2.gz XTJSYLWPOWOGJT-ZIAGYGMSSA-N 2 1 222.376 2.297 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(C)c2)[C@H](C)C1 ZINC000449402886 388195121 /nfs/dbraw/zinc/19/51/21/388195121.db2.gz NQMREMRKCPZOHM-DOMZBBRYSA-N 2 1 247.386 2.210 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(C)c2)[C@H](C)C1 ZINC000449402886 388195122 /nfs/dbraw/zinc/19/51/22/388195122.db2.gz NQMREMRKCPZOHM-DOMZBBRYSA-N 2 1 247.386 2.210 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000449442084 388207252 /nfs/dbraw/zinc/20/72/52/388207252.db2.gz WFDMGXKNUNUYAG-RTXFEEFZSA-N 2 1 208.349 2.001 20 0 BEADMP CC/C=C/C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000449455703 388210306 /nfs/dbraw/zinc/21/03/06/388210306.db2.gz LOSYAEYVCHLIBI-AMRKSYTLSA-N 2 1 210.365 2.273 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000449485822 388215947 /nfs/dbraw/zinc/21/59/47/388215947.db2.gz ROIROUFOMRXRIZ-CRWXNKLISA-N 2 1 224.392 2.352 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CC[C@H](C)C1 ZINC000164420216 388238153 /nfs/dbraw/zinc/23/81/53/388238153.db2.gz KSNKPKQMWILXIB-XQQFMLRXSA-N 2 1 212.381 2.495 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000164666337 388242448 /nfs/dbraw/zinc/24/24/48/388242448.db2.gz ISLWBCJGLUPLAK-DGCLKSJQSA-N 2 1 212.381 2.339 20 0 BEADMP C[C@H]1CCC[C@H]([NH2+]CCC[NH+]2CCC2)C1 ZINC000521370548 256518971 /nfs/dbraw/zinc/51/89/71/256518971.db2.gz WPRQPYCCORTFBH-STQMWFEESA-N 2 1 210.365 2.251 20 0 BEADMP CC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccc(C)cc1 ZINC000234044201 388352380 /nfs/dbraw/zinc/35/23/80/388352380.db2.gz BCIUVVHQDKLOMR-AAEUAGOBSA-N 2 1 206.333 2.383 20 0 BEADMP C[NH+](C/C=C/C[N@H+](C)CC1CC1)CC1CC1 ZINC000193490512 388361204 /nfs/dbraw/zinc/36/12/04/388361204.db2.gz HSEBIYRUBYFMAL-ONEGZZNKSA-N 2 1 222.376 2.226 20 0 BEADMP C[C@@H](C[NH3+])[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000235124465 388364936 /nfs/dbraw/zinc/36/49/36/388364936.db2.gz KXSGPMYGSVBIGX-UEJVZZJDSA-N 2 1 224.270 2.044 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300924105 388386460 /nfs/dbraw/zinc/38/64/60/388386460.db2.gz LRFSLUTWBMJOTR-AXFHLTTASA-N 2 1 232.318 2.091 20 0 BEADMP CCOCCCC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000165101405 388390851 /nfs/dbraw/zinc/39/08/51/388390851.db2.gz FTTJJHLURWJWDW-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)CC[C@H]1[NH3+] ZINC000300785733 388394091 /nfs/dbraw/zinc/39/40/91/388394091.db2.gz BEBQREPYARJJFF-OUAUKWLOSA-N 2 1 232.318 2.091 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000300997952 388397620 /nfs/dbraw/zinc/39/76/20/388397620.db2.gz VHKLEWWKLKSFKN-OUAUKWLOSA-N 2 1 232.318 2.233 20 0 BEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCc1ccccn1 ZINC000308632912 388446478 /nfs/dbraw/zinc/44/64/78/388446478.db2.gz HIVGPEIKPBFPMP-UHFFFAOYSA-N 2 1 247.386 2.088 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCCCCF ZINC000336674027 388461744 /nfs/dbraw/zinc/46/17/44/388461744.db2.gz GYPLAGBCPJIJTE-RYUDHWBXSA-N 2 1 216.344 2.328 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336717616 388468199 /nfs/dbraw/zinc/46/81/99/388468199.db2.gz YCMUJNBEBMDCNA-QWHCGFSZSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@H]([NH2+]CCF)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000336731410 388470797 /nfs/dbraw/zinc/47/07/97/388470797.db2.gz FHXVKXBPYJPLGX-NWDGAFQWSA-N 2 1 228.355 2.199 20 0 BEADMP C[C@H]([NH2+]CCF)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000336731410 388470801 /nfs/dbraw/zinc/47/08/01/388470801.db2.gz FHXVKXBPYJPLGX-NWDGAFQWSA-N 2 1 228.355 2.199 20 0 BEADMP CC[C@](C)(C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)OC ZINC000322511803 388437539 /nfs/dbraw/zinc/43/75/39/388437539.db2.gz JBNQTNIHAQSPDG-XJFOESAGSA-N 2 1 242.407 2.120 20 0 BEADMP COC(C)(C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322549678 388437668 /nfs/dbraw/zinc/43/76/68/388437668.db2.gz AXEICEWGGYTOTO-ODWCKFRGSA-N 2 1 240.391 2.015 20 0 BEADMP COC(C)(C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322549680 388437716 /nfs/dbraw/zinc/43/77/16/388437716.db2.gz AXEICEWGGYTOTO-WODVXLOZSA-N 2 1 240.391 2.015 20 0 BEADMP Cc1cccnc1CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000404868138 388438985 /nfs/dbraw/zinc/43/89/85/388438985.db2.gz MECSNEMWVQNFPJ-UKRRQHHQSA-N 2 1 247.386 2.053 20 0 BEADMP C[N@H+]1CC[C@@]2(CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC000528510621 388538333 /nfs/dbraw/zinc/53/83/33/388538333.db2.gz BMJILERZVIYPRK-OAHLLOKOSA-N 2 1 236.403 2.450 20 0 BEADMP CCC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)OC ZINC000356333471 388547792 /nfs/dbraw/zinc/54/77/92/388547792.db2.gz KYNXDFPWMLXFCU-BFHYXJOUSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CS1 ZINC000397796014 388499686 /nfs/dbraw/zinc/49/96/86/388499686.db2.gz ANLLFKJMHIAKMH-IEECTRCBSA-N 2 1 242.432 2.199 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH+]1[C@@H](C)C[C@@H]1C ZINC000548096682 388511425 /nfs/dbraw/zinc/51/14/25/388511425.db2.gz IHHJTQFQZZVDTA-RYUDHWBXSA-N 2 1 221.348 2.454 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1cccs1 ZINC000516759675 388516180 /nfs/dbraw/zinc/51/61/80/388516180.db2.gz WWMFIJILMSNMIP-YPMHNXCESA-N 2 1 238.400 2.268 20 0 BEADMP c1ccc([C@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)nc1 ZINC000516973474 388529731 /nfs/dbraw/zinc/52/97/31/388529731.db2.gz UMTBJOILTKSCND-DZGCQCFKSA-N 2 1 245.370 2.218 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2F)[C@@H]2CCC[C@H]21 ZINC000550934150 388617088 /nfs/dbraw/zinc/61/70/88/388617088.db2.gz WVMNOXKPDVJCNZ-ZUWCUPBKSA-N 2 1 240.366 2.339 20 0 BEADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@H]1C ZINC000245558748 388589836 /nfs/dbraw/zinc/58/98/36/388589836.db2.gz BHAIOBIZDVCTJN-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000245558748 388589838 /nfs/dbraw/zinc/58/98/38/388589838.db2.gz BHAIOBIZDVCTJN-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC000245558748 388589840 /nfs/dbraw/zinc/58/98/40/388589840.db2.gz BHAIOBIZDVCTJN-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP CO[C@H](C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C)c1ccccc1 ZINC000379171134 388594322 /nfs/dbraw/zinc/59/43/22/388594322.db2.gz DIKNAXKSMCFXGE-BPLDGKMQSA-N 2 1 248.370 2.186 20 0 BEADMP C[C@@H]1CC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@@H](C)O1 ZINC000245694289 388598421 /nfs/dbraw/zinc/59/84/21/388598421.db2.gz KCGJRBXBXVGYOR-FDYHWXHSSA-N 2 1 240.391 2.015 20 0 BEADMP C[C@@H]1CC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@@H](C)O1 ZINC000245694289 388598426 /nfs/dbraw/zinc/59/84/26/388598426.db2.gz KCGJRBXBXVGYOR-FDYHWXHSSA-N 2 1 240.391 2.015 20 0 BEADMP CO[C@@H](C[N@H+](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000379227962 388599548 /nfs/dbraw/zinc/59/95/48/388599548.db2.gz RTJHKPQDCRTHGM-HNNXBMFYSA-N 2 1 248.370 2.058 20 0 BEADMP CO[C@@H](C[N@@H+](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000379227962 388599549 /nfs/dbraw/zinc/59/95/49/388599549.db2.gz RTJHKPQDCRTHGM-HNNXBMFYSA-N 2 1 248.370 2.058 20 0 BEADMP Cc1ncccc1CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245744288 388602084 /nfs/dbraw/zinc/60/20/84/388602084.db2.gz MLQYUQGDLANSLB-WFASDCNBSA-N 2 1 247.386 2.305 20 0 BEADMP Cc1ncccc1C[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000245744288 388602085 /nfs/dbraw/zinc/60/20/85/388602085.db2.gz MLQYUQGDLANSLB-WFASDCNBSA-N 2 1 247.386 2.305 20 0 BEADMP Cc1ncccc1C[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000245744288 388602088 /nfs/dbraw/zinc/60/20/88/388602088.db2.gz MLQYUQGDLANSLB-WFASDCNBSA-N 2 1 247.386 2.305 20 0 BEADMP FCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000368530616 388569215 /nfs/dbraw/zinc/56/92/15/388569215.db2.gz OETJRFJIOHOPAT-UHFFFAOYSA-N 2 1 228.355 2.343 20 0 BEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOC(C)C)C1 ZINC000081569613 388584321 /nfs/dbraw/zinc/58/43/21/388584321.db2.gz GHLWFOQMCPAEQR-CQSZACIVSA-N 2 1 242.407 2.075 20 0 BEADMP C[C@@H](C1CC1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000125016157 388668129 /nfs/dbraw/zinc/66/81/29/388668129.db2.gz KKOOLZVGFCUJIQ-AAEUAGOBSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H](C1CC1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000125016157 388668130 /nfs/dbraw/zinc/66/81/30/388668130.db2.gz KKOOLZVGFCUJIQ-AAEUAGOBSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H](C1CC1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000125016157 388668132 /nfs/dbraw/zinc/66/81/32/388668132.db2.gz KKOOLZVGFCUJIQ-AAEUAGOBSA-N 2 1 210.365 2.201 20 0 BEADMP COC[C@@H](C)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247673363 388668809 /nfs/dbraw/zinc/66/88/09/388668809.db2.gz YWCIIBJJNZHWAI-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP COC[C@@H](C)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247673363 388668811 /nfs/dbraw/zinc/66/88/11/388668811.db2.gz YWCIIBJJNZHWAI-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP COC[C@@H](C)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247673363 388668813 /nfs/dbraw/zinc/66/88/13/388668813.db2.gz YWCIIBJJNZHWAI-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP CC1=CC[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000552117517 388670698 /nfs/dbraw/zinc/67/06/98/388670698.db2.gz PPZPIWQILHKFIS-KGLIPLIRSA-N 2 1 222.376 2.417 20 0 BEADMP CCCCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000248054798 388673398 /nfs/dbraw/zinc/67/33/98/388673398.db2.gz XFDNHZZPZHCRRX-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP Cc1ccncc1CCC[N@H+](C)CCC[NH+](C)C ZINC000564377438 388625010 /nfs/dbraw/zinc/62/50/10/388625010.db2.gz HULOHFZDQPAACC-UHFFFAOYSA-N 2 1 249.402 2.206 20 0 BEADMP C[NH2+][C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC000530210828 388627531 /nfs/dbraw/zinc/62/75/31/388627531.db2.gz LTYOCCMEUWHKSH-GFCCVEGCSA-N 2 1 210.365 2.106 20 0 BEADMP C[NH2+][C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000530210828 388627533 /nfs/dbraw/zinc/62/75/33/388627533.db2.gz LTYOCCMEUWHKSH-GFCCVEGCSA-N 2 1 210.365 2.106 20 0 BEADMP CS[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000246290264 388628629 /nfs/dbraw/zinc/62/86/29/388628629.db2.gz CIFBWXJYROYSBR-NNYUYHANSA-N 2 1 230.421 2.056 20 0 BEADMP CCC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000246324586 388630332 /nfs/dbraw/zinc/63/03/32/388630332.db2.gz FPZGULZXHNXWJL-FRRDWIJNSA-N 2 1 224.392 2.495 20 0 BEADMP CC1(C)CC(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000530216447 388630486 /nfs/dbraw/zinc/63/04/86/388630486.db2.gz BMZWMFMJADVUKC-AWEZNQCLSA-N 2 1 222.376 2.108 20 0 BEADMP Cc1ccc(C2=CC[N@@H+](C)CC2)cc1C[NH3+] ZINC000530248520 388639720 /nfs/dbraw/zinc/63/97/20/388639720.db2.gz OYVUTLPRPFHQEL-UHFFFAOYSA-N 2 1 216.328 2.173 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cccc(O)c1 ZINC000261551881 388643219 /nfs/dbraw/zinc/64/32/19/388643219.db2.gz MMOGRWDOGFTHOK-MJVIPROJSA-N 2 1 234.343 2.041 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000223328234 388650187 /nfs/dbraw/zinc/65/01/87/388650187.db2.gz SJNTTZUYTCOSML-RKDXNWHRSA-N 2 1 212.724 2.338 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CCSC)[C@@H](C)C1 ZINC000246789520 388651681 /nfs/dbraw/zinc/65/16/81/388651681.db2.gz MGALPTRIMWGCIE-RYUDHWBXSA-N 2 1 230.421 2.012 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CCSC)[C@@H](C)C1 ZINC000246789520 388651683 /nfs/dbraw/zinc/65/16/83/388651683.db2.gz MGALPTRIMWGCIE-RYUDHWBXSA-N 2 1 230.421 2.012 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCSC)[C@@H](C)C1 ZINC000246789520 388651685 /nfs/dbraw/zinc/65/16/85/388651685.db2.gz MGALPTRIMWGCIE-RYUDHWBXSA-N 2 1 230.421 2.012 20 0 BEADMP COCC[C@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000246856127 388654003 /nfs/dbraw/zinc/65/40/03/388654003.db2.gz CTOXVWXNDSBLDW-HZSPNIEDSA-N 2 1 242.407 2.121 20 0 BEADMP COCC[C@H](C)[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000246856127 388654005 /nfs/dbraw/zinc/65/40/05/388654005.db2.gz CTOXVWXNDSBLDW-HZSPNIEDSA-N 2 1 242.407 2.121 20 0 BEADMP COC[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000247049972 388657773 /nfs/dbraw/zinc/65/77/73/388657773.db2.gz NFMOQWFDYOLNLN-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCCSC)[C@@H](C)C1 ZINC000223736893 388657930 /nfs/dbraw/zinc/65/79/30/388657930.db2.gz JEZDTZNQDHXQGL-RYUDHWBXSA-N 2 1 230.421 2.059 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C(C)C)C1 ZINC000247056058 388657965 /nfs/dbraw/zinc/65/79/65/388657965.db2.gz NMLVNUJEHIOCNI-OLZOCXBDSA-N 2 1 212.381 2.352 20 0 BEADMP Cc1ccnc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000552043844 388663854 /nfs/dbraw/zinc/66/38/54/388663854.db2.gz DCEVBWWEORKLGL-KBPBESRZSA-N 2 1 247.386 2.382 20 0 BEADMP Cc1ccnc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000552043844 388663857 /nfs/dbraw/zinc/66/38/57/388663857.db2.gz DCEVBWWEORKLGL-KBPBESRZSA-N 2 1 247.386 2.382 20 0 BEADMP C[N@H+](CCC[NH3+])Cc1cc(Cl)cs1 ZINC000227744706 388756743 /nfs/dbraw/zinc/75/67/43/388756743.db2.gz FYTVQPFDVYQIBA-UHFFFAOYSA-N 2 1 218.753 2.182 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1cc(Cl)cs1 ZINC000227744706 388756745 /nfs/dbraw/zinc/75/67/45/388756745.db2.gz FYTVQPFDVYQIBA-UHFFFAOYSA-N 2 1 218.753 2.182 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)[C@H]2CCC[C@H]21 ZINC000554095452 388799277 /nfs/dbraw/zinc/79/92/77/388799277.db2.gz FNDHLNSTAPQOMF-WTPMCQDGSA-N 2 1 244.329 2.102 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000227808835 388759801 /nfs/dbraw/zinc/75/98/01/388759801.db2.gz AOKZPQDHUQWSSE-XQHKEYJVSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000227808835 388759803 /nfs/dbraw/zinc/75/98/03/388759803.db2.gz AOKZPQDHUQWSSE-XQHKEYJVSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000252173821 388761805 /nfs/dbraw/zinc/76/18/05/388761805.db2.gz ONXDOIKKFHVVQH-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000069674868 388858817 /nfs/dbraw/zinc/85/88/17/388858817.db2.gz DOTSREYMHRSYNQ-FDYHWXHSSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1c[nH+]ccc1N ZINC000564825626 388891323 /nfs/dbraw/zinc/89/13/23/388891323.db2.gz YISORXUMRFBUHF-GMTAPVOTSA-N 2 1 249.358 2.101 20 0 BEADMP CCC[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000268846632 389006213 /nfs/dbraw/zinc/00/62/13/389006213.db2.gz JCRAPOQSVJVQNH-NSHDSACASA-N 2 1 209.337 2.360 20 0 BEADMP Cc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271786752 389024837 /nfs/dbraw/zinc/02/48/37/389024837.db2.gz FSOMCNCMBFAQMF-UHFFFAOYSA-N 2 1 230.355 2.347 20 0 BEADMP C[C@@H](CCc1ccco1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271836597 389025632 /nfs/dbraw/zinc/02/56/32/389025632.db2.gz GDKZBDAWOYJLRY-ZDUSSCGKSA-N 2 1 248.370 2.452 20 0 BEADMP C[NH+](C)[C@@H]1CCCN(c2cc[nH+]cc2Cl)C1 ZINC000267429121 132189854 /nfs/dbraw/zinc/18/98/54/132189854.db2.gz WHDNVQWQLCOHDP-SNVBAGLBSA-N 2 1 239.750 2.265 20 0 BEADMP Cc1cc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc[nH+]1 ZINC000274799041 132204039 /nfs/dbraw/zinc/20/40/39/132204039.db2.gz JMLALKGRPHSOJH-LBPRGKRZSA-N 2 1 242.326 2.497 20 0 BEADMP CC(C)(C)CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252839421 133651973 /nfs/dbraw/zinc/65/19/73/133651973.db2.gz AWRUHZQSYDDKOA-AVGNSLFASA-N 2 1 224.392 2.482 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000335468893 133877952 /nfs/dbraw/zinc/87/79/52/133877952.db2.gz VCZUAZPRSROULT-QMTHXVAHSA-N 2 1 243.354 2.482 20 0 BEADMP C[C@H]1CCSCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000335938088 134013081 /nfs/dbraw/zinc/01/30/81/134013081.db2.gz OAFKSKFMSOHTBF-STQMWFEESA-N 2 1 242.432 2.298 20 0 BEADMP C[C@H]1CCSCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000335938088 134013082 /nfs/dbraw/zinc/01/30/82/134013082.db2.gz OAFKSKFMSOHTBF-STQMWFEESA-N 2 1 242.432 2.298 20 0 BEADMP Cc1ccsc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000167607994 134153085 /nfs/dbraw/zinc/15/30/85/134153085.db2.gz DSFLDCQYYBKWSA-CMPLNLGQSA-N 2 1 238.400 2.473 20 0 BEADMP COc1cccc([C@H](C)[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000217508939 134249164 /nfs/dbraw/zinc/24/91/64/134249164.db2.gz RRFGCTKXUIJSCM-STQMWFEESA-N 2 1 248.370 2.427 20 0 BEADMP C[C@H](CC[NH3+])[NH2+]Cc1c(F)cccc1Cl ZINC000220496135 134305472 /nfs/dbraw/zinc/30/54/72/134305472.db2.gz ZBRFMIGHCAINKN-MRVPVSSYSA-N 2 1 230.714 2.306 20 0 BEADMP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000222164108 134330295 /nfs/dbraw/zinc/33/02/95/134330295.db2.gz VNTJYJUWWWZKQF-MRTXSQPYSA-N 2 1 224.392 2.493 20 0 BEADMP CCC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226867015 134370169 /nfs/dbraw/zinc/37/01/69/134370169.db2.gz ZAJNUGLUQJHGEL-RWMBFGLXSA-N 2 1 212.381 2.495 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2C)CC1 ZINC000070825953 134924230 /nfs/dbraw/zinc/92/42/30/134924230.db2.gz PDAAMUVXVTZONC-DGCLKSJQSA-N 2 1 210.365 2.249 20 0 BEADMP CC1CC([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000231787272 135024491 /nfs/dbraw/zinc/02/44/91/135024491.db2.gz ZIYUVPFBOGBWKJ-UHFFFAOYSA-N 2 1 208.349 2.001 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000250232137 135050376 /nfs/dbraw/zinc/05/03/76/135050376.db2.gz GHOCQOSCAARFEI-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)CCOCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250589282 135056293 /nfs/dbraw/zinc/05/62/93/135056293.db2.gz JTGRIYCOJRXFSV-UONOGXRCSA-N 2 1 242.407 2.108 20 0 BEADMP CC[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000251757252 135076374 /nfs/dbraw/zinc/07/63/74/135076374.db2.gz LSRKSKBSNXYOBT-CHWSQXEVSA-N 2 1 210.365 2.108 20 0 BEADMP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000251754094 135076669 /nfs/dbraw/zinc/07/66/69/135076669.db2.gz LNYMFBWFLGQALI-AGIUHOORSA-N 2 1 210.365 2.297 20 0 BEADMP CC[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000251757258 135076700 /nfs/dbraw/zinc/07/67/00/135076700.db2.gz LSRKSKBSNXYOBT-QWHCGFSZSA-N 2 1 210.365 2.108 20 0 BEADMP CC(C)C[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000252115231 135083243 /nfs/dbraw/zinc/08/32/43/135083243.db2.gz IKMDKKJRPXPMIM-CHWSQXEVSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)C[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000252115231 135083246 /nfs/dbraw/zinc/08/32/46/135083246.db2.gz IKMDKKJRPXPMIM-CHWSQXEVSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000252111300 135083493 /nfs/dbraw/zinc/08/34/93/135083493.db2.gz HUHIKYFQIDCGHS-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000252176405 135085392 /nfs/dbraw/zinc/08/53/92/135085392.db2.gz SBYCPPSFAXXGGB-ZOBORPQBSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000252176405 135085394 /nfs/dbraw/zinc/08/53/94/135085394.db2.gz SBYCPPSFAXXGGB-ZOBORPQBSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000252176404 135085691 /nfs/dbraw/zinc/08/56/91/135085691.db2.gz SBYCPPSFAXXGGB-RFGFWPKPSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000252176404 135085693 /nfs/dbraw/zinc/08/56/93/135085693.db2.gz SBYCPPSFAXXGGB-RFGFWPKPSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@H](C1CC1)[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000086702095 135095203 /nfs/dbraw/zinc/09/52/03/135095203.db2.gz AFNZHKSFAWKEKD-LLVKDONJSA-N 2 1 222.376 2.249 20 0 BEADMP CSC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000252713718 135100777 /nfs/dbraw/zinc/10/07/77/135100777.db2.gz QAFINOGIMHLPGJ-FIQHERPVSA-N 2 1 230.421 2.056 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CS1 ZINC000086935158 135102343 /nfs/dbraw/zinc/10/23/43/135102343.db2.gz ZSTUVBBQMVLBRX-PWSUYJOCSA-N 2 1 240.416 2.097 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC000252730831 135103819 /nfs/dbraw/zinc/10/38/19/135103819.db2.gz NBGFPSHUULNCEB-FRRDWIJNSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC000252730831 135103822 /nfs/dbraw/zinc/10/38/22/135103822.db2.gz NBGFPSHUULNCEB-FRRDWIJNSA-N 2 1 224.392 2.495 20 0 BEADMP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000252732530 135104980 /nfs/dbraw/zinc/10/49/80/135104980.db2.gz VNTJYJUWWWZKQF-KSTCHIGDSA-N 2 1 224.392 2.493 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC000261535561 135108562 /nfs/dbraw/zinc/10/85/62/135108562.db2.gz ONXWXSRLUDJVDF-WCQYABFASA-N 2 1 210.365 2.236 20 0 BEADMP C[C@]1(C[N@H+]2CCCCC(C)(C)C2)CC[NH2+]C1 ZINC000261882912 135112205 /nfs/dbraw/zinc/11/22/05/135112205.db2.gz RIZMLUBEGZARNM-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP CC(C)CCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252861904 135114198 /nfs/dbraw/zinc/11/41/98/135114198.db2.gz NSIDJBWTQFTMLK-IHRRRGAJSA-N 2 1 224.392 2.482 20 0 BEADMP Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252891540 135116340 /nfs/dbraw/zinc/11/63/40/135116340.db2.gz KZMIYWIKDADWTO-UKRRQHHQSA-N 2 1 232.371 2.425 20 0 BEADMP C[NH2+]CCC[N@@H+](CC(C)C)C1CCCC1 ZINC000087286621 135119582 /nfs/dbraw/zinc/11/95/82/135119582.db2.gz PTMOPZFTBKCURK-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000253063070 135119937 /nfs/dbraw/zinc/11/99/37/135119937.db2.gz GIYRGRDOZNJLRL-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C1CCC(C)(C)CC1 ZINC000087287408 135121711 /nfs/dbraw/zinc/12/17/11/135121711.db2.gz YFXUREWUMCTRCX-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP Cc1ccsc1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000087309997 135121866 /nfs/dbraw/zinc/12/18/66/135121866.db2.gz IBGOLLVELNBUHG-JTQLQIEISA-N 2 1 212.362 2.129 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@H](C[NH3+])C2CCCC2)C1 ZINC000253282339 135126345 /nfs/dbraw/zinc/12/63/45/135126345.db2.gz LGTFQYCPCKTWSO-RAIGVLPGSA-N 2 1 210.365 2.282 20 0 BEADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000258924861 135135640 /nfs/dbraw/zinc/13/56/40/135135640.db2.gz JCTWUIBGFPNRIM-CHWSQXEVSA-N 2 1 240.297 2.324 20 0 BEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000258944834 135136118 /nfs/dbraw/zinc/13/61/18/135136118.db2.gz KEHNPCXDVOZHNT-RYUDHWBXSA-N 2 1 224.735 2.309 20 0 BEADMP C(C1CCCCC1)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000257690649 135139023 /nfs/dbraw/zinc/13/90/23/135139023.db2.gz NKRPDRPJGXNMJL-CQSZACIVSA-N 2 1 222.376 2.395 20 0 BEADMP C[NH2+]CCC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000087472350 135143626 /nfs/dbraw/zinc/14/36/26/135143626.db2.gz BEDZJUMIMPSVBS-AWEZNQCLSA-N 2 1 218.344 2.215 20 0 BEADMP C[NH2+]CCC[N@@H+](C)CCC1CCCCC1 ZINC000087473703 135143721 /nfs/dbraw/zinc/14/37/21/135143721.db2.gz KZGOVXJQKONBER-UHFFFAOYSA-N 2 1 212.381 2.498 20 0 BEADMP CC1CCC(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000261545384 135144990 /nfs/dbraw/zinc/14/49/90/135144990.db2.gz GANOEVFIGHAVSZ-CVSAEHQPSA-N 2 1 236.403 2.497 20 0 BEADMP CC1CCC(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000261545384 135144991 /nfs/dbraw/zinc/14/49/91/135144991.db2.gz GANOEVFIGHAVSZ-CVSAEHQPSA-N 2 1 236.403 2.497 20 0 BEADMP NCC[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000261529270 135155143 /nfs/dbraw/zinc/15/51/43/135155143.db2.gz ANHZSARBBQFLQJ-UHFFFAOYSA-N 2 1 210.365 2.382 20 0 BEADMP NCC[N@H+]1CCCC2(C1)CCCCCC2 ZINC000261529270 135155145 /nfs/dbraw/zinc/15/51/45/135155145.db2.gz ANHZSARBBQFLQJ-UHFFFAOYSA-N 2 1 210.365 2.382 20 0 BEADMP [NH3+]CC[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000261529270 135155146 /nfs/dbraw/zinc/15/51/46/135155146.db2.gz ANHZSARBBQFLQJ-UHFFFAOYSA-N 2 1 210.365 2.382 20 0 BEADMP [NH3+]CC[N@H+]1CCCC2(C1)CCCCCC2 ZINC000261529270 135155148 /nfs/dbraw/zinc/15/51/48/135155148.db2.gz ANHZSARBBQFLQJ-UHFFFAOYSA-N 2 1 210.365 2.382 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])s1 ZINC000261529406 135156056 /nfs/dbraw/zinc/15/60/56/135156056.db2.gz RVDUOBQYFBGZBJ-AEJSXWLSSA-N 2 1 212.362 2.443 20 0 BEADMP C[C@H](C1CC1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261530768 135158331 /nfs/dbraw/zinc/15/83/31/135158331.db2.gz CZKPCMOMCASSEL-UTUOFQBUSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@H]1[C@H]([NH3+])CC[N@H+]1CCC1CCCCC1 ZINC000261531377 135160146 /nfs/dbraw/zinc/16/01/46/135160146.db2.gz GGRUVJQKOKAWRU-WCQYABFASA-N 2 1 210.365 2.378 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000261531614 135160538 /nfs/dbraw/zinc/16/05/38/135160538.db2.gz HHEGMMGPDAQDCH-GUBZILKMSA-N 2 1 210.296 2.212 20 0 BEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000261531613 135161132 /nfs/dbraw/zinc/16/11/32/135161132.db2.gz HHEGMMGPDAQDCH-BBBLOLIVSA-N 2 1 210.296 2.212 20 0 BEADMP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H](C)[NH3+] ZINC000261531831 135161991 /nfs/dbraw/zinc/16/19/91/135161991.db2.gz HZLQKGPPCCUSRT-RYUDHWBXSA-N 2 1 206.333 2.335 20 0 BEADMP Cc1ccccc1[C@H](C)[N@H+](C)C[C@H](C)[NH3+] ZINC000261531831 135161993 /nfs/dbraw/zinc/16/19/93/135161993.db2.gz HZLQKGPPCCUSRT-RYUDHWBXSA-N 2 1 206.333 2.335 20 0 BEADMP CC[N@@H+](CC1CCC1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261534465 135167139 /nfs/dbraw/zinc/16/71/39/135167139.db2.gz QSRIDKGPERMGCK-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H](c1ccccc1)[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261534495 135167306 /nfs/dbraw/zinc/16/73/06/135167306.db2.gz RHULSGUGHGXAJQ-IACUBPJLSA-N 2 1 218.344 2.417 20 0 BEADMP C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCC(C)(C)C1 ZINC000087772953 135167737 /nfs/dbraw/zinc/16/77/37/135167737.db2.gz LMAHMNQYFDVREP-ZDUSSCGKSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H](C)C(C)C ZINC000261537022 135173013 /nfs/dbraw/zinc/17/30/13/135173013.db2.gz UPBZWXISNFUCNT-CHWSQXEVSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000261537018 135173502 /nfs/dbraw/zinc/17/35/02/135173502.db2.gz UPBDOCGOENLOID-AEJSXWLSSA-N 2 1 210.296 2.212 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c(C)c1 ZINC000261540949 135180504 /nfs/dbraw/zinc/18/05/04/135180504.db2.gz ARQZMUWYKRFGPB-HNNXBMFYSA-N 2 1 232.371 2.474 20 0 BEADMP C[C@@H]([N@@H+](C)C[C@@]1(C)CC[NH2+]C1)C1(C)CC1 ZINC000261543740 135184644 /nfs/dbraw/zinc/18/46/44/135184644.db2.gz ICLORWCZVGKEHU-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261548323 135186684 /nfs/dbraw/zinc/18/66/84/135186684.db2.gz NKKWLYVOQIBZHK-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261548325 135187105 /nfs/dbraw/zinc/18/71/05/135187105.db2.gz NKKWLYVOQIBZHK-YNEHKIRRSA-N 2 1 210.365 2.106 20 0 BEADMP CC[NH+](CC)CCC[NH2+]Cc1scnc1C ZINC000084149142 135187206 /nfs/dbraw/zinc/18/72/06/135187206.db2.gz ZMDPRRUUSLQDGW-UHFFFAOYSA-N 2 1 241.404 2.273 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1C ZINC000261553061 135191933 /nfs/dbraw/zinc/19/19/33/135191933.db2.gz ABOOVRFOPLPRTJ-HZPDHXFCSA-N 2 1 244.382 2.487 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1C ZINC000261554949 135194558 /nfs/dbraw/zinc/19/45/58/135194558.db2.gz BDBBDAJZYOYZMX-HNNXBMFYSA-N 2 1 248.370 2.174 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261556910 135197145 /nfs/dbraw/zinc/19/71/45/135197145.db2.gz CFRTWQJWHXLSGL-NUEKZKHPSA-N 2 1 244.382 2.473 20 0 BEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000261558460 135199517 /nfs/dbraw/zinc/19/95/17/135199517.db2.gz SLNQRXWESAVHCL-RNCFNFMXSA-N 2 1 240.297 2.052 20 0 BEADMP Cc1ccccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261561708 135202688 /nfs/dbraw/zinc/20/26/88/135202688.db2.gz VRTWUIFDHCVLAI-HIFRSBDPSA-N 2 1 230.355 2.036 20 0 BEADMP Cc1ccccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261561681 135203039 /nfs/dbraw/zinc/20/30/39/135203039.db2.gz VPESSKODPJYVGW-LSDHHAIUSA-N 2 1 230.355 2.179 20 0 BEADMP C[C@H](c1ccccc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261562947 135205315 /nfs/dbraw/zinc/20/53/15/135205315.db2.gz WSZJTFIYZKVUHL-UNQGMJICSA-N 2 1 230.355 2.417 20 0 BEADMP C[C@](C[NH3+])([NH2+]CCC1CCCC1)C1CC1 ZINC000261563875 135206356 /nfs/dbraw/zinc/20/63/56/135206356.db2.gz CEBIUXYHPDLBIU-CYBMUJFWSA-N 2 1 210.365 2.284 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261564737 135206720 /nfs/dbraw/zinc/20/67/20/135206720.db2.gz HLFFRXGXANSTNY-TUKIKUTGSA-N 2 1 248.345 2.303 20 0 BEADMP C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000261566992 135208753 /nfs/dbraw/zinc/20/87/53/135208753.db2.gz DTIAIYQCERYMOH-KGLIPLIRSA-N 2 1 222.376 2.393 20 0 BEADMP C(C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000261566992 135208755 /nfs/dbraw/zinc/20/87/55/135208755.db2.gz DTIAIYQCERYMOH-KGLIPLIRSA-N 2 1 222.376 2.393 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000261570708 135213172 /nfs/dbraw/zinc/21/31/72/135213172.db2.gz HCOYWZSBPURHKL-TZMCWYRMSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000261570708 135213173 /nfs/dbraw/zinc/21/31/73/135213173.db2.gz HCOYWZSBPURHKL-TZMCWYRMSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1cccc([C@@H]2CCC[N@@H+]2CC[NH3+])c1C ZINC000261570687 135213380 /nfs/dbraw/zinc/21/33/80/135213380.db2.gz HBWGFNPUCKAJCE-AWEZNQCLSA-N 2 1 218.344 2.399 20 0 BEADMP Cc1cccc([C@@H]2CCC[N@H+]2CC[NH3+])c1C ZINC000261570687 135213382 /nfs/dbraw/zinc/21/33/82/135213382.db2.gz HBWGFNPUCKAJCE-AWEZNQCLSA-N 2 1 218.344 2.399 20 0 BEADMP CCOc1ccccc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261572624 135214508 /nfs/dbraw/zinc/21/45/08/135214508.db2.gz LVHGZQMHBWDYQX-OAHLLOKOSA-N 2 1 248.370 2.256 20 0 BEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC3CCCCC3)C[C@H]12 ZINC000261574648 135216918 /nfs/dbraw/zinc/21/69/18/135216918.db2.gz JKCGDQCQVPLBHE-HZSPNIEDSA-N 2 1 222.376 2.236 20 0 BEADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000261576005 135217307 /nfs/dbraw/zinc/21/73/07/135217307.db2.gz KAJUCIWUKIJIQA-GWCFXTLKSA-N 2 1 238.762 2.428 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261576444 135217931 /nfs/dbraw/zinc/21/79/31/135217931.db2.gz NQMWSZNUDYXOOT-CVEARBPZSA-N 2 1 244.382 2.433 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261578014 135218868 /nfs/dbraw/zinc/21/88/68/135218868.db2.gz ORUGOYHYMZZVAS-NUEKZKHPSA-N 2 1 244.382 2.473 20 0 BEADMP C[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000261581568 135222107 /nfs/dbraw/zinc/22/21/07/135222107.db2.gz QSNZEXOQHWFZSE-FVQBIDKESA-N 2 1 244.382 2.474 20 0 BEADMP C[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000261581570 135222138 /nfs/dbraw/zinc/22/21/38/135222138.db2.gz QSNZEXOQHWFZSE-VNQPRFMTSA-N 2 1 244.382 2.474 20 0 BEADMP CC(C)(C)CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164370819 135224744 /nfs/dbraw/zinc/22/47/44/135224744.db2.gz AWRUHZQSYDDKOA-XQQFMLRXSA-N 2 1 224.392 2.482 20 0 BEADMP C(C1CCCCC1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261584824 135226054 /nfs/dbraw/zinc/22/60/54/135226054.db2.gz QBAJWFPYERFNAI-UONOGXRCSA-N 2 1 222.376 2.108 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261585620 135227171 /nfs/dbraw/zinc/22/71/71/135227171.db2.gz TYCRLJLTKXELAM-GOEBONIOSA-N 2 1 244.382 2.345 20 0 BEADMP Cc1ccc(F)c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261587179 135228424 /nfs/dbraw/zinc/22/84/24/135228424.db2.gz UXDADHAFMFVUQY-HNNXBMFYSA-N 2 1 248.345 2.320 20 0 BEADMP Cc1ccc(F)c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261587179 135228425 /nfs/dbraw/zinc/22/84/25/135228425.db2.gz UXDADHAFMFVUQY-HNNXBMFYSA-N 2 1 248.345 2.320 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1F ZINC000261591644 135232209 /nfs/dbraw/zinc/23/22/09/135232209.db2.gz XXJNGCMYTNPIEJ-KBPBESRZSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1F ZINC000261591644 135232210 /nfs/dbraw/zinc/23/22/10/135232210.db2.gz XXJNGCMYTNPIEJ-KBPBESRZSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CC[C@H]([NH3+])[C@H]1C ZINC000261594293 135233970 /nfs/dbraw/zinc/23/39/70/135233970.db2.gz XLNXSOUVPORQIW-OCCSQVGLSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@H]1C ZINC000261594293 135233972 /nfs/dbraw/zinc/23/39/72/135233972.db2.gz XLNXSOUVPORQIW-OCCSQVGLSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000261593552 135234341 /nfs/dbraw/zinc/23/43/41/135234341.db2.gz ZHAPODGRISYZTR-HNNXBMFYSA-N 2 1 248.345 2.320 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000261593552 135234342 /nfs/dbraw/zinc/23/43/42/135234342.db2.gz ZHAPODGRISYZTR-HNNXBMFYSA-N 2 1 248.345 2.320 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261593517 135234501 /nfs/dbraw/zinc/23/45/01/135234501.db2.gz ZFNACOHVQZINRO-GDBMZVCRSA-N 2 1 244.382 2.487 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC000261593553 135234590 /nfs/dbraw/zinc/23/45/90/135234590.db2.gz ZHAPODGRISYZTR-OAHLLOKOSA-N 2 1 248.345 2.320 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC000261593553 135234591 /nfs/dbraw/zinc/23/45/91/135234591.db2.gz ZHAPODGRISYZTR-OAHLLOKOSA-N 2 1 248.345 2.320 20 0 BEADMP C(C1CCCCC1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261597531 135236878 /nfs/dbraw/zinc/23/68/78/135236878.db2.gz ZEUMRFFJIRUTRN-KBPBESRZSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@H]1CC[N@@H+](CCC2CCCC2)C[C@H]1C[NH3+] ZINC000261599724 135237892 /nfs/dbraw/zinc/23/78/92/135237892.db2.gz ZZCHRKGNHGFAAW-GXTWGEPZSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261682782 135245836 /nfs/dbraw/zinc/24/58/36/135245836.db2.gz HBZMKQIFUMZRRY-MGPQQGTHSA-N 2 1 224.392 2.483 20 0 BEADMP CCC[N@@H+](Cc1cccc(N)c1)C1CC[NH2+]CC1 ZINC000261700821 135246481 /nfs/dbraw/zinc/24/64/81/135246481.db2.gz ODESWBWQFTXMJZ-UHFFFAOYSA-N 2 1 247.386 2.233 20 0 BEADMP C[C@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC(C)(C)C1 ZINC000261714635 135247605 /nfs/dbraw/zinc/24/76/05/135247605.db2.gz FBDCNGKZOCFCTC-OCCSQVGLSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1CC[C@]2(CC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)C1 ZINC000261742112 135249084 /nfs/dbraw/zinc/24/90/84/135249084.db2.gz IPYBQJWJXJRRKF-KFWWJZLASA-N 2 1 236.403 2.498 20 0 BEADMP C[C@@H]1CC2(CCC2)C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261749099 135249816 /nfs/dbraw/zinc/24/98/16/135249816.db2.gz LRJOZIXNYFPQDR-CHWSQXEVSA-N 2 1 222.376 2.251 20 0 BEADMP CCC[C@@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261758075 135250721 /nfs/dbraw/zinc/25/07/21/135250721.db2.gz KXDZCGZFQXKGMY-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP CCC[N@@H+](C[C@@H]1CCSC1)C1CC[NH2+]CC1 ZINC000261778118 135251487 /nfs/dbraw/zinc/25/14/87/135251487.db2.gz FHEOXBJQOGOTDL-LBPRGKRZSA-N 2 1 242.432 2.204 20 0 BEADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)CC1(C)C ZINC000261819321 135255479 /nfs/dbraw/zinc/25/54/79/135255479.db2.gz IFZIYVJNCXVJJX-LBPRGKRZSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@]1(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)CC[NH2+]C1 ZINC000261878418 135258967 /nfs/dbraw/zinc/25/89/67/135258967.db2.gz QJZOMRMSMUUOLH-KGLIPLIRSA-N 2 1 233.359 2.151 20 0 BEADMP C[C@@]1(C[N@H+]2CCC[C@H]2c2ccc[nH]2)CC[NH2+]C1 ZINC000261878422 135259260 /nfs/dbraw/zinc/25/92/60/135259260.db2.gz QJZOMRMSMUUOLH-UONOGXRCSA-N 2 1 233.359 2.151 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+](CC[NH3+])Cc1ccccc1 ZINC000261943964 135264805 /nfs/dbraw/zinc/26/48/05/135264805.db2.gz NDDYWENBQGVLOO-TZMCWYRMSA-N 2 1 218.344 2.103 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000261943964 135264807 /nfs/dbraw/zinc/26/48/07/135264807.db2.gz NDDYWENBQGVLOO-TZMCWYRMSA-N 2 1 218.344 2.103 20 0 BEADMP C[C@H](C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000261953935 135266253 /nfs/dbraw/zinc/26/62/53/135266253.db2.gz GIIHAWNZOMSUQB-JTNHKYCSSA-N 2 1 236.334 2.208 20 0 BEADMP C[C@H](C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000261953935 135266254 /nfs/dbraw/zinc/26/62/54/135266254.db2.gz GIIHAWNZOMSUQB-JTNHKYCSSA-N 2 1 236.334 2.208 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CC(C)(C)C1 ZINC000261985111 135269482 /nfs/dbraw/zinc/26/94/82/135269482.db2.gz RVGZBQXHIWFXSL-QWHCGFSZSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@H]1C[C@H]1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262017357 135272751 /nfs/dbraw/zinc/27/27/51/135272751.db2.gz VUNZJOKHBPPRGI-HNKHHVNMSA-N 2 1 244.382 2.317 20 0 BEADMP CC(C)[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000262054188 135277315 /nfs/dbraw/zinc/27/73/15/135277315.db2.gz ZZTZVFLLTCVKON-AWEZNQCLSA-N 2 1 224.392 2.354 20 0 BEADMP Cc1ccc(F)cc1C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000262120295 135279489 /nfs/dbraw/zinc/27/94/89/135279489.db2.gz LVUHMVPPJSKXPQ-CQSZACIVSA-N 2 1 236.334 2.351 20 0 BEADMP Cc1cc([C@@H]2CCC[N@@H+]2C[C@@]2(C)CC[NH2+]C2)on1 ZINC000262132024 135280499 /nfs/dbraw/zinc/28/04/99/135280499.db2.gz YHMVXSOPXSZHOR-JSGCOSHPSA-N 2 1 249.358 2.120 20 0 BEADMP Cc1cc([C@@H]2CCC[N@H+]2C[C@@]2(C)CC[NH2+]C2)on1 ZINC000262132024 135280501 /nfs/dbraw/zinc/28/05/01/135280501.db2.gz YHMVXSOPXSZHOR-JSGCOSHPSA-N 2 1 249.358 2.120 20 0 BEADMP CCc1nc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cs1 ZINC000262151957 135282357 /nfs/dbraw/zinc/28/23/57/135282357.db2.gz GCENKXNHUDBYSK-ZJUUUORDSA-N 2 1 239.388 2.065 20 0 BEADMP CC(C)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334225414 135329995 /nfs/dbraw/zinc/32/99/95/135329995.db2.gz DLYXZLZNDGOUAL-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CC(C)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334225414 135329997 /nfs/dbraw/zinc/32/99/97/135329997.db2.gz DLYXZLZNDGOUAL-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CC(C)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000334225414 135329999 /nfs/dbraw/zinc/32/99/99/135329999.db2.gz DLYXZLZNDGOUAL-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000334356232 135369503 /nfs/dbraw/zinc/36/95/03/135369503.db2.gz MTUINFFTJLUFAL-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CC[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000334356232 135369504 /nfs/dbraw/zinc/36/95/04/135369504.db2.gz MTUINFFTJLUFAL-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CC[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000334356232 135369505 /nfs/dbraw/zinc/36/95/05/135369505.db2.gz MTUINFFTJLUFAL-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP Cc1nc(C)c(C[NH2+][C@H](C)CC[NH+](C)C)s1 ZINC000080694277 135383925 /nfs/dbraw/zinc/38/39/25/135383925.db2.gz JADFDSWIDFJNKK-SECBINFHSA-N 2 1 241.404 2.190 20 0 BEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2CCC2)C1 ZINC000081517051 135387276 /nfs/dbraw/zinc/38/72/76/135387276.db2.gz URSXZUDFLCDMCE-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC000081517051 135387278 /nfs/dbraw/zinc/38/72/78/135387278.db2.gz URSXZUDFLCDMCE-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC000081517051 135387279 /nfs/dbraw/zinc/38/72/79/135387279.db2.gz URSXZUDFLCDMCE-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CC1CCC([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000089555130 135537259 /nfs/dbraw/zinc/53/72/59/135537259.db2.gz QTHTYBOOMWTMBM-GNRIBBGQSA-N 2 1 224.392 2.495 20 0 BEADMP CC1CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000089555130 135537261 /nfs/dbraw/zinc/53/72/61/135537261.db2.gz QTHTYBOOMWTMBM-GNRIBBGQSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H]1CCC[N@@H+](CCc2cncn2C)C1 ZINC000347738916 136004982 /nfs/dbraw/zinc/00/49/82/136004982.db2.gz WZBJNCCLHZSNMP-GFCCVEGCSA-N 2 1 221.348 2.085 20 0 BEADMP Cc1ccccc1C[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000335325967 136051952 /nfs/dbraw/zinc/05/19/52/136051952.db2.gz MYVRAHVCWBNZEJ-CYBMUJFWSA-N 2 1 241.338 2.365 20 0 BEADMP F[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000335399956 136093825 /nfs/dbraw/zinc/09/38/25/136093825.db2.gz QGRJJPXHMASNQO-DGCLKSJQSA-N 2 1 240.366 2.484 20 0 BEADMP c1ccc2c(c1)SCC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000335553458 136098765 /nfs/dbraw/zinc/09/87/65/136098765.db2.gz WQEPUPMXEZXFKJ-GFCCVEGCSA-N 2 1 234.368 2.033 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCCSC1)c1c[nH+]ccc1N ZINC000335565726 136107654 /nfs/dbraw/zinc/10/76/54/136107654.db2.gz RGPNURRJGRLCNO-ZJUUUORDSA-N 2 1 237.372 2.040 20 0 BEADMP Cc1cc2[nH+]c(CCC[NH3+])[nH]c2c(C)c1 ZINC000062152846 1172743156 /nfs/dbraw/zinc/74/31/56/1172743156.db2.gz YXKPVVQZEASERY-UHFFFAOYSA-N 2 1 203.289 2.071 20 0 BEADMP C[C@@H]1C[C@H](N)C[N@H+]1CCC(C)(C)C1CC1 ZINC000405983530 397778684 /nfs/dbraw/zinc/77/86/84/397778684.db2.gz BJERUDWDKUNUDD-PWSUYJOCSA-N 2 1 210.365 2.234 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCC(C)(C)C1CC1 ZINC000405983530 397778691 /nfs/dbraw/zinc/77/86/91/397778691.db2.gz BJERUDWDKUNUDD-PWSUYJOCSA-N 2 1 210.365 2.234 20 0 BEADMP Cc1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1F ZINC000647531338 397779550 /nfs/dbraw/zinc/77/95/50/397779550.db2.gz PERZMHDDCZBBMK-UHFFFAOYSA-N 2 1 236.334 2.447 20 0 BEADMP C[C@H](CC1CC1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121272 397801209 /nfs/dbraw/zinc/80/12/09/397801209.db2.gz SBWSGUJIOLOLOM-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCSCC1 ZINC000161585225 397745794 /nfs/dbraw/zinc/74/57/94/397745794.db2.gz NGMYNWHOPGQRMU-MDZLAQPJSA-N 2 1 242.432 2.200 20 0 BEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000178828548 397849107 /nfs/dbraw/zinc/84/91/07/397849107.db2.gz HVHHOXYVTGGQBP-HNNXBMFYSA-N 2 1 249.402 2.472 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000388106839 397871320 /nfs/dbraw/zinc/87/13/20/397871320.db2.gz XVXHKKGSJKJTOS-ZOBORPQBSA-N 2 1 222.376 2.249 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC12CCC2 ZINC000309879994 397871731 /nfs/dbraw/zinc/87/17/31/397871731.db2.gz VAEBSDLWBFRPBN-GFCCVEGCSA-N 2 1 219.332 2.114 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC12CCCC2 ZINC000649657804 398025327 /nfs/dbraw/zinc/02/53/27/398025327.db2.gz NKFDPAZPMATBLH-ZDUSSCGKSA-N 2 1 222.376 2.489 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC12CCCC2 ZINC000649657804 398025332 /nfs/dbraw/zinc/02/53/32/398025332.db2.gz NKFDPAZPMATBLH-ZDUSSCGKSA-N 2 1 222.376 2.489 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC12CCCC2 ZINC000649657804 398025336 /nfs/dbraw/zinc/02/53/36/398025336.db2.gz NKFDPAZPMATBLH-ZDUSSCGKSA-N 2 1 222.376 2.489 20 0 BEADMP C[C@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1[NH3+] ZINC000414763642 398027741 /nfs/dbraw/zinc/02/77/41/398027741.db2.gz NCCAJWVZKWSEBY-CYUUQNCZSA-N 2 1 230.355 2.069 20 0 BEADMP C[C@H]1C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1[NH3+] ZINC000414763642 398027745 /nfs/dbraw/zinc/02/77/45/398027745.db2.gz NCCAJWVZKWSEBY-CYUUQNCZSA-N 2 1 230.355 2.069 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCCC2(CC2)C1 ZINC000414763802 398029025 /nfs/dbraw/zinc/02/90/25/398029025.db2.gz XZWUBYAQFIZAJM-LBPRGKRZSA-N 2 1 210.365 2.236 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCCC2(CC2)C1 ZINC000414763802 398029029 /nfs/dbraw/zinc/02/90/29/398029029.db2.gz XZWUBYAQFIZAJM-LBPRGKRZSA-N 2 1 210.365 2.236 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCCC2(CC2)C1 ZINC000414763800 398029078 /nfs/dbraw/zinc/02/90/78/398029078.db2.gz XZWUBYAQFIZAJM-GFCCVEGCSA-N 2 1 210.365 2.236 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCCC2(CC2)C1 ZINC000414763800 398029081 /nfs/dbraw/zinc/02/90/81/398029081.db2.gz XZWUBYAQFIZAJM-GFCCVEGCSA-N 2 1 210.365 2.236 20 0 BEADMP Fc1cc(F)cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414826531 398048712 /nfs/dbraw/zinc/04/87/12/398048712.db2.gz JABDKWCMLWZAQI-SNVBAGLBSA-N 2 1 240.297 2.054 20 0 BEADMP Cc1cc(C)cc(C[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC000038076852 397973842 /nfs/dbraw/zinc/97/38/42/397973842.db2.gz UPEGOHZHPGJZRF-AWEZNQCLSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC000038076852 397973846 /nfs/dbraw/zinc/97/38/46/397973846.db2.gz UPEGOHZHPGJZRF-AWEZNQCLSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1ccoc1CN1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000272625695 397980168 /nfs/dbraw/zinc/98/01/68/397980168.db2.gz MNNJFUBWGPABCX-STQMWFEESA-N 2 1 234.343 2.114 20 0 BEADMP COc1ccc(C[NH2+][C@@H](C[NH3+])CC(C)C)cc1 ZINC000414855293 398064085 /nfs/dbraw/zinc/06/40/85/398064085.db2.gz WQKAAEFZCTXSTR-CYBMUJFWSA-N 2 1 236.359 2.158 20 0 BEADMP CCC(CC)(CC)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000383923126 398052070 /nfs/dbraw/zinc/05/20/70/398052070.db2.gz DEKYVQSOYWXSTI-ZDUSSCGKSA-N 2 1 244.423 2.246 20 0 BEADMP CCC(CC)(C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)OC ZINC000383993541 398055536 /nfs/dbraw/zinc/05/55/36/398055536.db2.gz NMHJWAJLKZOGPY-STQMWFEESA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1cc(C)c(C)cc1C ZINC000414979665 398134404 /nfs/dbraw/zinc/13/44/04/398134404.db2.gz OCQPTZRNAMIBTM-CQSZACIVSA-N 2 1 220.360 2.439 20 0 BEADMP CC(C)C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052380101 167003459 /nfs/dbraw/zinc/00/34/59/167003459.db2.gz JSSLNGAUHRZVNL-OKILXGFUSA-N 2 1 242.407 2.121 20 0 BEADMP c1ccc2c(c1)CCC[N@H+](C1CC[NH2+]CC1)C2 ZINC000062944691 1172789229 /nfs/dbraw/zinc/78/92/29/1172789229.db2.gz OOORQYBMJWCZPI-UHFFFAOYSA-N 2 1 230.355 2.187 20 0 BEADMP CC(C)c1ccc(CC[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000259123540 322882250 /nfs/dbraw/zinc/88/22/50/322882250.db2.gz TXKWPWOPMMJDJN-HNNXBMFYSA-N 2 1 232.371 2.304 20 0 BEADMP CCc1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)s1 ZINC000225369066 487561495 /nfs/dbraw/zinc/56/14/95/487561495.db2.gz VSPIXIWULKGQRL-LBPRGKRZSA-N 2 1 226.389 2.383 20 0 BEADMP CC(C)(C[NH2+][C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043327328 487563597 /nfs/dbraw/zinc/56/35/97/487563597.db2.gz PCJVXFIIGRLTGV-AWEZNQCLSA-N 2 1 232.371 2.306 20 0 BEADMP CO[C@H]1CCC[C@@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000685658033 487571909 /nfs/dbraw/zinc/57/19/09/487571909.db2.gz XQQSWZJFODXXLU-MJBXVCDLSA-N 2 1 242.407 2.262 20 0 BEADMP CO[C@H]1CCC[C@@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000685658033 487571915 /nfs/dbraw/zinc/57/19/15/487571915.db2.gz XQQSWZJFODXXLU-MJBXVCDLSA-N 2 1 242.407 2.262 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000393399191 487573755 /nfs/dbraw/zinc/57/37/55/487573755.db2.gz OSHFETMEHCKCDC-YIYPIFLZSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)OCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127788497 167225256 /nfs/dbraw/zinc/22/52/56/167225256.db2.gz FOPUAUSBUNVECE-UONOGXRCSA-N 2 1 240.391 2.018 20 0 BEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC1CC=CC1 ZINC000238598892 487587814 /nfs/dbraw/zinc/58/78/14/487587814.db2.gz IIVPGPJECHLTMJ-ZDUSSCGKSA-N 2 1 208.349 2.156 20 0 BEADMP c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C2 ZINC000232476370 487597186 /nfs/dbraw/zinc/59/71/86/487597186.db2.gz HUIRYQQIFKVZKF-CVEARBPZSA-N 2 1 244.382 2.276 20 0 BEADMP Cc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001651697438 1172977242 /nfs/dbraw/zinc/97/72/42/1172977242.db2.gz AACROSYEHBDTJL-BZUAXINKSA-N 2 1 244.382 2.425 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662264457 409560103 /nfs/dbraw/zinc/56/01/03/409560103.db2.gz DHAXZANEWPIOHJ-DGCLKSJQSA-N 2 1 246.345 2.353 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC3CC=CC3)C[C@H]21 ZINC000662265087 409560292 /nfs/dbraw/zinc/56/02/92/409560292.db2.gz FUCICWBUZLRUSN-MGPQQGTHSA-N 2 1 220.360 2.012 20 0 BEADMP CCC[N@@H+](CC1CC=CC1)C1CC[NH2+]CC1 ZINC000662265849 409560931 /nfs/dbraw/zinc/56/09/31/409560931.db2.gz WFBSKONXRZNESU-UHFFFAOYSA-N 2 1 222.376 2.417 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC3CC=CC3)C[C@H]21 ZINC000662265060 409561055 /nfs/dbraw/zinc/56/10/55/409561055.db2.gz FUCICWBUZLRUSN-BFHYXJOUSA-N 2 1 220.360 2.012 20 0 BEADMP CC1(C)CCCC[C@H]1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000662247740 409549291 /nfs/dbraw/zinc/54/92/91/409549291.db2.gz ZOBYZJRQMOZNMJ-OLZOCXBDSA-N 2 1 224.392 2.483 20 0 BEADMP FCC[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000662310140 409632755 /nfs/dbraw/zinc/63/27/55/409632755.db2.gz HNWZVAKUMNKLJA-OLZOCXBDSA-N 2 1 228.355 2.058 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC1CCC1 ZINC000662277275 409593762 /nfs/dbraw/zinc/59/37/62/409593762.db2.gz PBXQIHOCZBZPLH-NQBHXWOUSA-N 2 1 210.365 2.153 20 0 BEADMP CC12CC(C1)C[N@H+]2CCC[NH+]1CCCCC1 ZINC000662385137 409686558 /nfs/dbraw/zinc/68/65/58/409686558.db2.gz LFUOBWAESKCOES-UHFFFAOYSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)CCc1ccccc1 ZINC000663509436 410281194 /nfs/dbraw/zinc/28/11/94/410281194.db2.gz KMQSPQYLVPZLQX-OLZOCXBDSA-N 2 1 220.360 2.205 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1cccc2c1CCC2 ZINC000650703629 410333547 /nfs/dbraw/zinc/33/35/47/410333547.db2.gz JNBRGMNLKISDCI-NHYWBVRUSA-N 2 1 230.355 2.097 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1cccc2c1CCC2 ZINC000650703629 410333552 /nfs/dbraw/zinc/33/35/52/410333552.db2.gz JNBRGMNLKISDCI-NHYWBVRUSA-N 2 1 230.355 2.097 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1cccc2c1CCC2 ZINC000650703799 410335023 /nfs/dbraw/zinc/33/50/23/410335023.db2.gz RWLWGIQSZNTADQ-CYBMUJFWSA-N 2 1 218.344 2.002 20 0 BEADMP [NH3+]C[C@@H]([NH2+]Cc1cccc2c1CCC2)C1CC1 ZINC000650703820 410336332 /nfs/dbraw/zinc/33/63/32/410336332.db2.gz SPMZQSWMLFLMCR-OAHLLOKOSA-N 2 1 230.355 2.002 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000650711703 410339310 /nfs/dbraw/zinc/33/93/10/410339310.db2.gz AKWPUORCABKCGS-LOWDOPEQSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@]3(CC3(F)F)C2)CC[NH2+]1 ZINC000650725381 410359682 /nfs/dbraw/zinc/35/96/82/410359682.db2.gz ZJNLOTMJFQCMPU-WOPDTQHZSA-N 2 1 244.329 2.106 20 0 BEADMP CN(C[C@H]1CCC[N@H+]1C)c1[nH+]ccc2[nH]ccc21 ZINC000664029571 410437169 /nfs/dbraw/zinc/43/71/69/410437169.db2.gz RAXVZCQUTBHRDF-LLVKDONJSA-N 2 1 244.342 2.093 20 0 BEADMP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000083846997 167002630 /nfs/dbraw/zinc/00/26/30/167002630.db2.gz NZDICZAMGZSOLY-YHWZYXNKSA-N 2 1 210.365 2.247 20 0 BEADMP CC(C)C[NH2+]C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000252123280 167005424 /nfs/dbraw/zinc/00/54/24/167005424.db2.gz JRFUGOVQXMBRCH-QWHCGFSZSA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)C[NH2+]C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000252123280 167005427 /nfs/dbraw/zinc/00/54/27/167005427.db2.gz JRFUGOVQXMBRCH-QWHCGFSZSA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)[NH2+]C1CC[NH+](CC[C@@H](C)F)CC1 ZINC000336770321 167093890 /nfs/dbraw/zinc/09/38/90/167093890.db2.gz WMEYILBDLVMEKH-LLVKDONJSA-N 2 1 216.344 2.197 20 0 BEADMP CC(C)C[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000396981339 410908611 /nfs/dbraw/zinc/90/86/11/410908611.db2.gz UKGKWMKVRJBXAG-OLZOCXBDSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)OCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000036908373 167223795 /nfs/dbraw/zinc/22/37/95/167223795.db2.gz IZZXJKQGTQMQAL-HZSPNIEDSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)OCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000160038069 167247350 /nfs/dbraw/zinc/24/73/50/167247350.db2.gz SVGFDUBGYMKNFK-KGLIPLIRSA-N 2 1 234.343 2.146 20 0 BEADMP CC(C)Oc1cccc(C[N@@H+](C)CCC[NH3+])c1 ZINC000123313405 167304855 /nfs/dbraw/zinc/30/48/55/167304855.db2.gz LPJRHFLYUJBGOI-UHFFFAOYSA-N 2 1 236.359 2.254 20 0 BEADMP CC(C)[C@@H](C)[N@H+](C)CC[NH2+]C(C)(C)C ZINC000042302648 167368961 /nfs/dbraw/zinc/36/89/61/167368961.db2.gz AAQMFOAAFGHRLM-LLVKDONJSA-N 2 1 200.370 2.351 20 0 BEADMP CC(C)[C@@H](C)[N@@H+](C)CC[NH2+]C(C)(C)C ZINC000042302648 167368963 /nfs/dbraw/zinc/36/89/63/167368963.db2.gz AAQMFOAAFGHRLM-LLVKDONJSA-N 2 1 200.370 2.351 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)[C@@H]1CC1(C)C ZINC000397804451 410934597 /nfs/dbraw/zinc/93/45/97/410934597.db2.gz NBSVFRYNAWJRSG-TUAOUCFPSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)[C@H]1CC1(C)C ZINC000397804447 410934778 /nfs/dbraw/zinc/93/47/78/410934778.db2.gz NBSVFRYNAWJRSG-SDDRHHMPSA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CSC[C@@H]1C ZINC000651865231 411147809 /nfs/dbraw/zinc/14/78/09/411147809.db2.gz RDKCXAAOHKVTSR-QWHCGFSZSA-N 2 1 244.448 2.305 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1COC(C)(C)C1 ZINC000651864809 411147846 /nfs/dbraw/zinc/14/78/46/411147846.db2.gz FNQXRRKIZWXUIX-CYBMUJFWSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccn(C)c1 ZINC000651865988 411148016 /nfs/dbraw/zinc/14/80/16/411148016.db2.gz PMLYXRHXWXSVBQ-UHFFFAOYSA-N 2 1 237.391 2.093 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccn(C)c1 ZINC000651865988 411148017 /nfs/dbraw/zinc/14/80/17/411148017.db2.gz PMLYXRHXWXSVBQ-UHFFFAOYSA-N 2 1 237.391 2.093 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCSCC2)CC[N@@H+]1C ZINC000657893028 411156301 /nfs/dbraw/zinc/15/63/01/411156301.db2.gz ZANKODMIUJTLMP-AGIUHOORSA-N 2 1 242.432 2.344 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCSCC2)CC[N@H+]1C ZINC000657893028 411156304 /nfs/dbraw/zinc/15/63/04/411156304.db2.gz ZANKODMIUJTLMP-AGIUHOORSA-N 2 1 242.432 2.344 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657938878 411174400 /nfs/dbraw/zinc/17/44/00/411174400.db2.gz RJNHHNJDDOQVJF-CYBMUJFWSA-N 2 1 240.416 2.124 20 0 BEADMP C[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)[C@H]1CC[NH3+] ZINC000404294058 411183111 /nfs/dbraw/zinc/18/31/11/411183111.db2.gz MROAIQNFCHFBPZ-DOMZBBRYSA-N 2 1 248.370 2.342 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657983037 411189479 /nfs/dbraw/zinc/18/94/79/411189479.db2.gz QLVRBBAKYHGUSE-HZSPNIEDSA-N 2 1 247.386 2.377 20 0 BEADMP C[NH+](C)[C@H]1C[C@@H](CNc2[nH]c3ccccc3[nH+]2)C1 ZINC000656212048 411210275 /nfs/dbraw/zinc/21/02/75/411210275.db2.gz XNXOGLCASUOZSB-PHIMTYICSA-N 2 1 244.342 2.315 20 0 BEADMP Cc1nccc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000656226192 411215246 /nfs/dbraw/zinc/21/52/46/411215246.db2.gz LLZXDBHCPNDIMN-STQMWFEESA-N 2 1 246.358 2.214 20 0 BEADMP CC1(C)[C@H]([NH2+]CC[NH3+])C[C@H]1c1ccccc1 ZINC000423193552 411238258 /nfs/dbraw/zinc/23/82/58/411238258.db2.gz WXJYNSOKTURFCQ-QWHCGFSZSA-N 2 1 218.344 2.117 20 0 BEADMP C[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000050953008 411269283 /nfs/dbraw/zinc/26/92/83/411269283.db2.gz SRBDBSQUTVKHGY-LBPRGKRZSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000050952809 411269552 /nfs/dbraw/zinc/26/95/52/411269552.db2.gz AFNYKXLSHVEBQC-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@H](c1ccccc1F)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000062014538 411277817 /nfs/dbraw/zinc/27/78/17/411277817.db2.gz ZNDXGLFPPNXIDS-VXGBXAGGSA-N 2 1 236.334 2.428 20 0 BEADMP C[C@H](c1ccccc1F)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000062014538 411277819 /nfs/dbraw/zinc/27/78/19/411277819.db2.gz ZNDXGLFPPNXIDS-VXGBXAGGSA-N 2 1 236.334 2.428 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CCCOC(C)(C)C)CC[N@H+]1C ZINC000658188034 411284199 /nfs/dbraw/zinc/28/41/99/411284199.db2.gz ZDCDYYZCBAKYGS-STQMWFEESA-N 2 1 242.407 2.264 20 0 BEADMP C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC000051889983 411284827 /nfs/dbraw/zinc/28/48/27/411284827.db2.gz VWCPIOXSSFJNSC-GFCCVEGCSA-N 2 1 238.762 2.381 20 0 BEADMP CC[N@H+](Cc1cccs1)C[C@@H]1CC[NH2+]C1 ZINC000051890024 411284955 /nfs/dbraw/zinc/28/49/55/411284955.db2.gz NXMYUZSUUCVZKI-LLVKDONJSA-N 2 1 224.373 2.180 20 0 BEADMP C[C@@H]1CCC[C@H]([N@@H+](C)C[C@@H]2CC[NH2+]C2)C1 ZINC000051889670 411285961 /nfs/dbraw/zinc/28/59/61/411285961.db2.gz XABDLEAURPRWHR-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)F)CC[N@H+]1C ZINC000658193773 411288377 /nfs/dbraw/zinc/28/83/77/411288377.db2.gz YONYOEUHWPJUGN-GHMZBOCLSA-N 2 1 216.344 2.197 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)F)[C@H](C)C1 ZINC000658193407 411288567 /nfs/dbraw/zinc/28/85/67/411288567.db2.gz UNMRRPBMMIOHCU-VXGBXAGGSA-N 2 1 230.371 2.445 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccoc2)[C@@H]2CCC[C@H]21 ZINC000658196221 411289258 /nfs/dbraw/zinc/28/92/58/411289258.db2.gz CQPRCVRMHQQWNK-SOUVJXGZSA-N 2 1 248.370 2.285 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccoc2)[C@H](C)C1 ZINC000658202198 411290888 /nfs/dbraw/zinc/29/08/88/411290888.db2.gz VGODWZBLQMKEJB-OCCSQVGLSA-N 2 1 236.359 2.142 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC2(F)F)CC[N@H+]1C ZINC000658218635 411298685 /nfs/dbraw/zinc/29/86/85/411298685.db2.gz KJLQNQYKDFGRCZ-MXWKQRLJSA-N 2 1 232.318 2.104 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]C2CCCCCC2)C1 ZINC000401785754 411330863 /nfs/dbraw/zinc/33/08/63/411330863.db2.gz ZOCHNTLNQALXFA-WCQYABFASA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H](C[NH2+][C@@H]1CCCc2cccnc21)C[NH+](C)C ZINC000311099091 411313962 /nfs/dbraw/zinc/31/39/62/411313962.db2.gz JSSJUVPJRZWTSO-GXTWGEPZSA-N 2 1 247.386 2.246 20 0 BEADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC2(C1)CCCCC2 ZINC000303391622 411317768 /nfs/dbraw/zinc/31/77/68/411317768.db2.gz OXRYXYAKBKMREJ-CYBMUJFWSA-N 2 1 222.376 2.252 20 0 BEADMP Cc1ccccc1CC[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000401763977 411323920 /nfs/dbraw/zinc/32/39/20/411323920.db2.gz FARFCSZMZQRLEE-SWLSCSKDSA-N 2 1 232.371 2.125 20 0 BEADMP C[C@H](C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)C ZINC000304265490 411356984 /nfs/dbraw/zinc/35/69/84/411356984.db2.gz JUOBJWLYYCQQNH-UPJWGTAASA-N 2 1 224.392 2.495 20 0 BEADMP Cc1ccc2c(c1)C[N@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000656786897 411365934 /nfs/dbraw/zinc/36/59/34/411365934.db2.gz CZBSWJSDWHXYNN-CQSZACIVSA-N 2 1 244.382 2.353 20 0 BEADMP CCOc1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000656788500 411367531 /nfs/dbraw/zinc/36/75/31/411367531.db2.gz RVVHLIXEOIZZGY-UHFFFAOYSA-N 2 1 248.370 2.446 20 0 BEADMP c1ccc(C[C@H]2CCC[C@@H]2[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000656788169 411368176 /nfs/dbraw/zinc/36/81/76/411368176.db2.gz QKVRXHYFZWJNQZ-PMPSAXMXSA-N 2 1 244.382 2.349 20 0 BEADMP C[C@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)C(C)(C)C ZINC000304503596 411369051 /nfs/dbraw/zinc/36/90/51/411369051.db2.gz IUPANPHFWVSSRW-OCCSQVGLSA-N 2 1 224.392 2.354 20 0 BEADMP CCC[N@H+](CCC[NH3+])Cc1ccccc1F ZINC000656792176 411372077 /nfs/dbraw/zinc/37/20/77/411372077.db2.gz PCYWAYJORLSMMN-UHFFFAOYSA-N 2 1 224.323 2.387 20 0 BEADMP CCC[N@@H+](CCC[NH3+])Cc1ccccc1F ZINC000656792176 411372079 /nfs/dbraw/zinc/37/20/79/411372079.db2.gz PCYWAYJORLSMMN-UHFFFAOYSA-N 2 1 224.323 2.387 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403350046 411340833 /nfs/dbraw/zinc/34/08/33/411340833.db2.gz IFNWFKIRYLWROB-SGMGOOAPSA-N 2 1 222.376 2.249 20 0 BEADMP CC1=C[C@@H](C)C[C@H](C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000368122137 168124786 /nfs/dbraw/zinc/12/47/86/168124786.db2.gz JRXNXWFSZXHSLI-BVUBDWEXSA-N 2 1 248.414 2.472 20 0 BEADMP CC1=C[C@@H](C)C[C@H](C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC000368122137 168124790 /nfs/dbraw/zinc/12/47/90/168124790.db2.gz JRXNXWFSZXHSLI-BVUBDWEXSA-N 2 1 248.414 2.472 20 0 BEADMP CC1CC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000309759809 168147849 /nfs/dbraw/zinc/14/78/49/168147849.db2.gz IKWIIXKQTMMFGP-PNKMZZHYSA-N 2 1 222.376 2.247 20 0 BEADMP CC1CCC([NH2+]C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000037484610 168163649 /nfs/dbraw/zinc/16/36/49/168163649.db2.gz SSUBDPAHIUDIND-OTTFEQOBSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1cccnc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404286478 411388836 /nfs/dbraw/zinc/38/88/36/411388836.db2.gz IFRGYDIYQKEJGH-HIFRSBDPSA-N 2 1 247.386 2.339 20 0 BEADMP C[N@@H+](CC1CC=CC1)C[C@H]1CCC[NH+](C)C1 ZINC000659945374 411389122 /nfs/dbraw/zinc/38/91/22/411389122.db2.gz BGFGHIZKMQKLMB-AWEZNQCLSA-N 2 1 222.376 2.226 20 0 BEADMP C[NH+](CC1CC=CC1)C[C@H]1CCC[N@H+](C)C1 ZINC000659945374 411389124 /nfs/dbraw/zinc/38/91/24/411389124.db2.gz BGFGHIZKMQKLMB-AWEZNQCLSA-N 2 1 222.376 2.226 20 0 BEADMP C[NH+](CC1CC=CC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000659945374 411389127 /nfs/dbraw/zinc/38/91/27/411389127.db2.gz BGFGHIZKMQKLMB-AWEZNQCLSA-N 2 1 222.376 2.226 20 0 BEADMP C[C@H]1CCC[N@@H+](Cc2ccccn2)[C@H]1CC[NH3+] ZINC000404360299 411391597 /nfs/dbraw/zinc/39/15/97/411391597.db2.gz DWXVNHHJYKQGQV-JSGCOSHPSA-N 2 1 233.359 2.031 20 0 BEADMP CC(C)COCC[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404406127 411394308 /nfs/dbraw/zinc/39/43/08/411394308.db2.gz UZLWCNFQDNEXNM-KBPBESRZSA-N 2 1 242.407 2.108 20 0 BEADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000401784574 411395168 /nfs/dbraw/zinc/39/51/68/411395168.db2.gz YWAIDSPSSYKKGM-YPMHNXCESA-N 2 1 210.365 2.154 20 0 BEADMP CC[NH+]1CCC([NH2+]C2CCCCC2)CC1 ZINC000006311678 169954114 /nfs/dbraw/zinc/95/41/14/169954114.db2.gz VDQZWPMNOAVCJL-UHFFFAOYSA-N 2 1 210.365 2.393 20 0 BEADMP C1=CCC(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000659949046 411508514 /nfs/dbraw/zinc/50/85/14/411508514.db2.gz UGAOXFNKWQNQFY-HNNXBMFYSA-N 2 1 234.387 2.370 20 0 BEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2C[C@H]3C[C@H]3C2)CC[N@@H+]1C ZINC000659983696 411518062 /nfs/dbraw/zinc/51/80/62/411518062.db2.gz SNBGTCNNFWVOGE-QMIVOQANSA-N 2 1 236.403 2.447 20 0 BEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2C[C@H]3C[C@H]3C2)CC[N@H+]1C ZINC000659983696 411518063 /nfs/dbraw/zinc/51/80/63/411518063.db2.gz SNBGTCNNFWVOGE-QMIVOQANSA-N 2 1 236.403 2.447 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2C[C@H]3C[C@H]3C2)CC[NH+]1C ZINC000659983696 411518064 /nfs/dbraw/zinc/51/80/64/411518064.db2.gz SNBGTCNNFWVOGE-QMIVOQANSA-N 2 1 236.403 2.447 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2C[C@H]3C[C@H]3C2)CC[NH+]1C ZINC000659983696 411518065 /nfs/dbraw/zinc/51/80/65/411518065.db2.gz SNBGTCNNFWVOGE-QMIVOQANSA-N 2 1 236.403 2.447 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CC3(CCC3)C2)C1 ZINC000336776606 170007612 /nfs/dbraw/zinc/00/76/12/170007612.db2.gz GDHOXLNSEMNUQD-LBPRGKRZSA-N 2 1 222.376 2.251 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)s2)C1 ZINC000037484277 170008262 /nfs/dbraw/zinc/00/82/62/170008262.db2.gz KOGRKLCIVMRCDU-LBPRGKRZSA-N 2 1 238.400 2.488 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC000037484259 170008551 /nfs/dbraw/zinc/00/85/51/170008551.db2.gz OFKHHAZDBGZKKG-AWEZNQCLSA-N 2 1 218.344 2.118 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2(C)CC2)[C@H](C)C1 ZINC000309465819 170011027 /nfs/dbraw/zinc/01/10/27/170011027.db2.gz PGMQVWHAKVLQAX-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](C)C2)C1 ZINC000037484184 170017497 /nfs/dbraw/zinc/01/74/97/170017497.db2.gz AYTUGLYRFRWHKY-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CSC)[C@H](C)C1 ZINC000336759666 170022186 /nfs/dbraw/zinc/02/21/86/170022186.db2.gz KYOSYHILFYPIDC-WOPDTQHZSA-N 2 1 230.421 2.058 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1CC=CC1 ZINC000660119232 411539612 /nfs/dbraw/zinc/53/96/12/411539612.db2.gz ZLJAGUUBGFDDTK-UHFFFAOYSA-N 2 1 233.359 2.480 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)CC1CC=CC1 ZINC000660119232 411539615 /nfs/dbraw/zinc/53/96/15/411539615.db2.gz ZLJAGUUBGFDDTK-UHFFFAOYSA-N 2 1 233.359 2.480 20 0 BEADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CCCCO1 ZINC000655848704 411536718 /nfs/dbraw/zinc/53/67/18/411536718.db2.gz JWULZFIMMKSXLR-KBPBESRZSA-N 2 1 240.391 2.018 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000217838311 411557560 /nfs/dbraw/zinc/55/75/60/411557560.db2.gz XWYUCUWIFQDRMR-QWHCGFSZSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000217838311 411557561 /nfs/dbraw/zinc/55/75/61/411557561.db2.gz XWYUCUWIFQDRMR-QWHCGFSZSA-N 2 1 242.407 2.264 20 0 BEADMP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000310183467 170352363 /nfs/dbraw/zinc/35/23/63/170352363.db2.gz ODYOOODAMDWANH-QWHCGFSZSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)C(C)(C)C(F)F ZINC000657825450 411608426 /nfs/dbraw/zinc/60/84/26/411608426.db2.gz ZWAQKPWACFNQPK-SECBINFHSA-N 2 1 234.334 2.350 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1COC2(CCC2)C1 ZINC000657831378 411609110 /nfs/dbraw/zinc/60/91/10/411609110.db2.gz WTCVWWPNJGJVTI-CYBMUJFWSA-N 2 1 240.391 2.018 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654954 411613215 /nfs/dbraw/zinc/61/32/15/411613215.db2.gz DGUNANXNJUXBCR-UONOGXRCSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@H](C)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654954 411613217 /nfs/dbraw/zinc/61/32/17/411613217.db2.gz DGUNANXNJUXBCR-UONOGXRCSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@H](C)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654954 411613218 /nfs/dbraw/zinc/61/32/18/411613218.db2.gz DGUNANXNJUXBCR-UONOGXRCSA-N 2 1 224.392 2.450 20 0 BEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC1CCC1)C2 ZINC000660658129 411614984 /nfs/dbraw/zinc/61/49/84/411614984.db2.gz CLMSCZHTSQVDMI-AWEZNQCLSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC000660658129 411614986 /nfs/dbraw/zinc/61/49/86/411614986.db2.gz CLMSCZHTSQVDMI-AWEZNQCLSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC000660658129 411614988 /nfs/dbraw/zinc/61/49/88/411614988.db2.gz CLMSCZHTSQVDMI-AWEZNQCLSA-N 2 1 222.376 2.204 20 0 BEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000660662772 411615917 /nfs/dbraw/zinc/61/59/17/411615917.db2.gz WHQNFDJNNGVJGK-FZKCQIBNSA-N 2 1 248.414 2.450 20 0 BEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000660662772 411615918 /nfs/dbraw/zinc/61/59/18/411615918.db2.gz WHQNFDJNNGVJGK-FZKCQIBNSA-N 2 1 248.414 2.450 20 0 BEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000660662772 411615919 /nfs/dbraw/zinc/61/59/19/411615919.db2.gz WHQNFDJNNGVJGK-FZKCQIBNSA-N 2 1 248.414 2.450 20 0 BEADMP CC[N@H+]1CCC[C@H](Nc2[nH+]ccc3[nH]ccc32)C1 ZINC000663415805 411653896 /nfs/dbraw/zinc/65/38/96/411653896.db2.gz ROYZXAJGJIZGNE-NSHDSACASA-N 2 1 244.342 2.459 20 0 BEADMP C[C@H](Cc1ccsc1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497763 411678740 /nfs/dbraw/zinc/67/87/40/411678740.db2.gz JTKKOTRIJBGTHC-QFWMXSHPSA-N 2 1 236.384 2.021 20 0 BEADMP Cc1cc(C)c(C[NH2+]CC23CC(C2)C[NH2+]3)c(C)c1 ZINC000663501426 411685173 /nfs/dbraw/zinc/68/51/73/411685173.db2.gz IBGVLJSJHMXLKM-UHFFFAOYSA-N 2 1 244.382 2.453 20 0 BEADMP C[C@]1(C[N@@H+](CCC2CC2)CC2CC2)CC[NH2+]C1 ZINC000663502227 411685643 /nfs/dbraw/zinc/68/56/43/411685643.db2.gz FXFWMEDGDOBNRY-HNNXBMFYSA-N 2 1 236.403 2.498 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000663514766 411695118 /nfs/dbraw/zinc/69/51/18/411695118.db2.gz SUETUBSAYQSNEW-SRVKXCTJSA-N 2 1 212.381 2.399 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000663514768 411696561 /nfs/dbraw/zinc/69/65/61/411696561.db2.gz SUETUBSAYQSNEW-WOPDTQHZSA-N 2 1 212.381 2.399 20 0 BEADMP CC[N@H+]1CCN(c2[nH+]ccc3[nH]ccc32)[C@H](C)C1 ZINC000663905144 411770797 /nfs/dbraw/zinc/77/07/97/411770797.db2.gz PUFCOPNJFNIBTH-LLVKDONJSA-N 2 1 244.342 2.093 20 0 BEADMP CC[C@H]([NH2+]CCCc1c[nH+]cn1C)C1CC1 ZINC000314916789 411895803 /nfs/dbraw/zinc/89/58/03/411895803.db2.gz OYLJDSIFHGKYEF-ZDUSSCGKSA-N 2 1 221.348 2.131 20 0 BEADMP c1cn(CC[N@H+](CCC2CC2)CC2CC2)cn1 ZINC000662179408 412021052 /nfs/dbraw/zinc/02/10/52/412021052.db2.gz OFSYDDNMWKGURB-UHFFFAOYSA-N 2 1 233.359 2.395 20 0 BEADMP CC(C)=CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000662245758 412043291 /nfs/dbraw/zinc/04/32/91/412043291.db2.gz OKZXUSFQLABCMR-CHWSQXEVSA-N 2 1 210.365 2.402 20 0 BEADMP CO[C@@H](C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)C1CCC1 ZINC000662248033 412046639 /nfs/dbraw/zinc/04/66/39/412046639.db2.gz RFBVAEXMZFUHHX-KGLIPLIRSA-N 2 1 242.407 2.107 20 0 BEADMP CC(C)=CCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000662264106 412056264 /nfs/dbraw/zinc/05/62/64/412056264.db2.gz AYQCGFLQHLDNGK-BFHYXJOUSA-N 2 1 222.376 2.402 20 0 BEADMP CC(C)=CCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000662264112 412056285 /nfs/dbraw/zinc/05/62/85/412056285.db2.gz AYQCGFLQHLDNGK-MELADBBJSA-N 2 1 222.376 2.402 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC000662264167 412056409 /nfs/dbraw/zinc/05/64/09/412056409.db2.gz BOJURTKJJYKZCB-WCQYABFASA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000233928548 171011274 /nfs/dbraw/zinc/01/12/74/171011274.db2.gz YFKGEZUVMPFYGK-YNEHKIRRSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000336742134 171042402 /nfs/dbraw/zinc/04/24/02/171042402.db2.gz WKTZTEFNQWJFBE-YPMHNXCESA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000336674098 171045368 /nfs/dbraw/zinc/04/53/68/171045368.db2.gz BELJYUAMSPQHLR-ZOBORPQBSA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000336674098 171045369 /nfs/dbraw/zinc/04/53/69/171045369.db2.gz BELJYUAMSPQHLR-ZOBORPQBSA-N 2 1 222.376 2.391 20 0 BEADMP CO[C@@H](C[N@H+]1CCCC[C@H]1CC[NH3+])C1CCC1 ZINC000662272585 412063162 /nfs/dbraw/zinc/06/31/62/412063162.db2.gz GVECBOWEVMPQIZ-KBPBESRZSA-N 2 1 240.391 2.005 20 0 BEADMP CO[C@@H](C[N@H+](C)C1(C[NH3+])CCC1)C1CCCC1 ZINC000662274380 412064463 /nfs/dbraw/zinc/06/44/63/412064463.db2.gz SRZKEFVHQRPLJG-ZDUSSCGKSA-N 2 1 240.391 2.005 20 0 BEADMP CO[C@@H](C[N@@H+](C)C1(C[NH3+])CCC1)C1CCCC1 ZINC000662274380 412064469 /nfs/dbraw/zinc/06/44/69/412064469.db2.gz SRZKEFVHQRPLJG-ZDUSSCGKSA-N 2 1 240.391 2.005 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000662273266 412065742 /nfs/dbraw/zinc/06/57/42/412065742.db2.gz KYDFHZIPGMSJCH-GRYCIOLGSA-N 2 1 246.345 2.352 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000662273266 412065744 /nfs/dbraw/zinc/06/57/44/412065744.db2.gz KYDFHZIPGMSJCH-GRYCIOLGSA-N 2 1 246.345 2.352 20 0 BEADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662275045 412068126 /nfs/dbraw/zinc/06/81/26/412068126.db2.gz QGIIEEAXLLLLRO-RBGFHDKUSA-N 2 1 248.414 2.354 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000662276244 412069405 /nfs/dbraw/zinc/06/94/05/412069405.db2.gz HRBSIHWPJVXKFU-LWGJEFJTSA-N 2 1 236.403 2.399 20 0 BEADMP CC(C)=CCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000662282661 412072154 /nfs/dbraw/zinc/07/21/54/412072154.db2.gz PRRMRGUIPJKGAF-CHWSQXEVSA-N 2 1 210.365 2.259 20 0 BEADMP c1ccc([C@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000662282508 412073079 /nfs/dbraw/zinc/07/30/79/412073079.db2.gz AZFZFKFYHOWDPE-ZBFHGGJFSA-N 2 1 244.382 2.476 20 0 BEADMP CC[C@@H](CC(F)F)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000662282703 412073108 /nfs/dbraw/zinc/07/31/08/412073108.db2.gz JQQSVGFFQURBQF-NSHDSACASA-N 2 1 246.345 2.496 20 0 BEADMP CC[C@H](C)C[N@H+](C)CCn1cc[nH+]c1C ZINC000270942913 171273247 /nfs/dbraw/zinc/27/32/47/171273247.db2.gz YVWOCXZPCNOWAW-NSHDSACASA-N 2 1 209.337 2.169 20 0 BEADMP CC[C@H](C)C[N@@H+](C)CCn1cc[nH+]c1C ZINC000270942913 171273248 /nfs/dbraw/zinc/27/32/48/171273248.db2.gz YVWOCXZPCNOWAW-NSHDSACASA-N 2 1 209.337 2.169 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372992404 171279840 /nfs/dbraw/zinc/27/98/40/171279840.db2.gz WYOSFVZSHGKXMG-QWHCGFSZSA-N 2 1 212.381 2.449 20 0 BEADMP CC[C@H](C)[C@@H](C)[N@@H+](CCC[NH2+]C)C1CC1 ZINC000336674214 171361968 /nfs/dbraw/zinc/36/19/68/171361968.db2.gz KBVBWKQULVASRN-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336729578 171388629 /nfs/dbraw/zinc/38/86/29/171388629.db2.gz JDKSUNLPZLSPQU-RYUDHWBXSA-N 2 1 210.365 2.273 20 0 BEADMP C[C@@H]([NH3+])C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000662305362 412091520 /nfs/dbraw/zinc/09/15/20/412091520.db2.gz GFAUVCRMZADUSQ-DGCLKSJQSA-N 2 1 210.365 2.236 20 0 BEADMP FCC[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000662312692 412093687 /nfs/dbraw/zinc/09/36/87/412093687.db2.gz YZFNCJNMYYYBBR-KBPBESRZSA-N 2 1 242.382 2.448 20 0 BEADMP FCC[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000662312693 412093726 /nfs/dbraw/zinc/09/37/26/412093726.db2.gz YZFNCJNMYYYBBR-KGLIPLIRSA-N 2 1 242.382 2.448 20 0 BEADMP CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000662318855 412097659 /nfs/dbraw/zinc/09/76/59/412097659.db2.gz HRBYOMJKJHCOBF-RWMBFGLXSA-N 2 1 210.365 2.249 20 0 BEADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000662317798 412097891 /nfs/dbraw/zinc/09/78/91/412097891.db2.gz SRCKECZRBKKNOH-OCCSQVGLSA-N 2 1 222.376 2.108 20 0 BEADMP CC[C@@H](C)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319148 412098390 /nfs/dbraw/zinc/09/83/90/412098390.db2.gz FMIAHFDZJBGLFE-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP CCCCC[C@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000662320844 412101534 /nfs/dbraw/zinc/10/15/34/412101534.db2.gz WXPYMKXYMHGORP-AWEZNQCLSA-N 2 1 242.407 2.397 20 0 BEADMP c1cncc([C@H]2CCC[C@@H]([NH2+][C@H]3CC[NH2+]C3)C2)c1 ZINC000665241291 412184966 /nfs/dbraw/zinc/18/49/66/412184966.db2.gz HJGMFRGDQRSOLZ-CFVMTHIKSA-N 2 1 245.370 2.059 20 0 BEADMP Cc1cc(C)cc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000665245472 412189648 /nfs/dbraw/zinc/18/96/48/412189648.db2.gz JSAVNBIJPHQENB-UONOGXRCSA-N 2 1 218.344 2.273 20 0 BEADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccncc1 ZINC000665248227 412192174 /nfs/dbraw/zinc/19/21/74/412192174.db2.gz SETJXOPAQORKKH-NSHDSACASA-N 2 1 219.332 2.004 20 0 BEADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cccnc1 ZINC000665247396 412193464 /nfs/dbraw/zinc/19/34/64/412193464.db2.gz AOADPHPBUGNUCI-NSHDSACASA-N 2 1 219.332 2.004 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)[C@H]1CCCC[NH2+]1 ZINC000665264673 412207950 /nfs/dbraw/zinc/20/79/50/412207950.db2.gz FUDDMIOWWIUZMM-YIYPIFLZSA-N 2 1 240.391 2.064 20 0 BEADMP C[C@@H]([NH2+]CC1=CCCC1)[C@H]1CCCC[NH2+]1 ZINC000665274254 412218140 /nfs/dbraw/zinc/21/81/40/412218140.db2.gz MJHIXKUQJQCOOY-DGCLKSJQSA-N 2 1 208.349 2.217 20 0 BEADMP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277683 412221874 /nfs/dbraw/zinc/22/18/74/412221874.db2.gz IHGKTNIDOJZQRQ-RRFBRVDKSA-N 2 1 242.366 2.262 20 0 BEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C[NH2+]C)C1(CC)CC ZINC000665295826 412243486 /nfs/dbraw/zinc/24/34/86/412243486.db2.gz JWURDMTVVOHEFT-YNEHKIRRSA-N 2 1 242.407 2.168 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337990052 172977939 /nfs/dbraw/zinc/97/79/39/172977939.db2.gz SCMPCQRTMJSBTG-HUUCEWRRSA-N 2 1 234.387 2.417 20 0 BEADMP C[NH+]1CCC([NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000070939401 172995809 /nfs/dbraw/zinc/99/58/09/172995809.db2.gz SCAJVFOQQWDUAA-UHFFFAOYSA-N 2 1 243.354 2.352 20 0 BEADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCOC1(C)C ZINC000328278706 173006124 /nfs/dbraw/zinc/00/61/24/173006124.db2.gz YSBNICBXVQCCNC-CHWSQXEVSA-N 2 1 240.391 2.018 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC2CCC1CC2 ZINC000371390481 173027432 /nfs/dbraw/zinc/02/74/32/173027432.db2.gz WPKPDMHOBNZETO-ROKHWSDSSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC2CCC1CC2 ZINC000371390481 173027435 /nfs/dbraw/zinc/02/74/35/173027435.db2.gz WPKPDMHOBNZETO-ROKHWSDSSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC2CCC1CC2 ZINC000371390481 173027436 /nfs/dbraw/zinc/02/74/36/173027436.db2.gz WPKPDMHOBNZETO-ROKHWSDSSA-N 2 1 222.376 2.345 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1C1CC1 ZINC000371205639 173028367 /nfs/dbraw/zinc/02/83/67/173028367.db2.gz UFPOVXQRKAGYNL-ZIAGYGMSSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1C1CC1 ZINC000371205639 173028369 /nfs/dbraw/zinc/02/83/69/173028369.db2.gz UFPOVXQRKAGYNL-ZIAGYGMSSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1C1CC1 ZINC000371205639 173028370 /nfs/dbraw/zinc/02/83/70/173028370.db2.gz UFPOVXQRKAGYNL-ZIAGYGMSSA-N 2 1 222.376 2.345 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1C1CC1 ZINC000371205638 173050293 /nfs/dbraw/zinc/05/02/93/173050293.db2.gz UFPOVXQRKAGYNL-UONOGXRCSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1C1CC1 ZINC000371205638 173050296 /nfs/dbraw/zinc/05/02/96/173050296.db2.gz UFPOVXQRKAGYNL-UONOGXRCSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1C1CC1 ZINC000371205638 173050299 /nfs/dbraw/zinc/05/02/99/173050299.db2.gz UFPOVXQRKAGYNL-UONOGXRCSA-N 2 1 222.376 2.345 20 0 BEADMP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CC=CCC3)[C@H]2C1 ZINC000352929408 173132372 /nfs/dbraw/zinc/13/23/72/173132372.db2.gz GVPMIYGPRGPROQ-KFWWJZLASA-N 2 1 234.387 2.369 20 0 BEADMP C[N@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CC=CCC3)[C@H]2C1 ZINC000352929408 173132374 /nfs/dbraw/zinc/13/23/74/173132374.db2.gz GVPMIYGPRGPROQ-KFWWJZLASA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1CC[C@@H]2CC[N@H+](C[C@@H]3CC=CCC3)[C@H]2C1 ZINC000352929408 173132377 /nfs/dbraw/zinc/13/23/77/173132377.db2.gz GVPMIYGPRGPROQ-KFWWJZLASA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@@H]3CC=CCC3)[C@H]2C1 ZINC000352929408 173132379 /nfs/dbraw/zinc/13/23/79/173132379.db2.gz GVPMIYGPRGPROQ-KFWWJZLASA-N 2 1 234.387 2.369 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCC2CC2)[C@H]2CCC[C@H]21 ZINC000309436389 173152115 /nfs/dbraw/zinc/15/21/15/173152115.db2.gz HHYVFKQGGPIPQI-HZSPNIEDSA-N 2 1 222.376 2.249 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccco2)[C@@H]2CCC[C@H]21 ZINC000367619985 173152953 /nfs/dbraw/zinc/15/29/53/173152953.db2.gz XMQUOFYVMVJZKM-MELADBBJSA-N 2 1 234.343 2.242 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1)C2 ZINC000100243799 173206613 /nfs/dbraw/zinc/20/66/13/173206613.db2.gz IJBWOPMYRYEKGI-QKDCVEJESA-N 2 1 230.355 2.401 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC000309651969 173347101 /nfs/dbraw/zinc/34/71/01/173347101.db2.gz UBKZHZPLVKEOQK-ZDUSSCGKSA-N 2 1 212.381 2.354 20 0 BEADMP C[NH2+]CCC[NH2+][C@H](C)c1sc(C)nc1C ZINC000043606511 173349777 /nfs/dbraw/zinc/34/97/77/173349777.db2.gz NXQBWMVQXSJEEE-MRVPVSSYSA-N 2 1 227.377 2.020 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000040591989 173368000 /nfs/dbraw/zinc/36/80/00/173368000.db2.gz YRFGKZSQVUEHAU-NSHDSACASA-N 2 1 224.373 2.180 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000040591989 173368002 /nfs/dbraw/zinc/36/80/02/173368002.db2.gz YRFGKZSQVUEHAU-NSHDSACASA-N 2 1 224.373 2.180 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000221283703 173370652 /nfs/dbraw/zinc/37/06/52/173370652.db2.gz GCKDVGNWRPGYLR-KGLIPLIRSA-N 2 1 232.371 2.331 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(F)cc2C)C1 ZINC000071142515 173370686 /nfs/dbraw/zinc/37/06/86/173370686.db2.gz HMMZHLKLDHANAP-LBPRGKRZSA-N 2 1 236.334 2.175 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C)C1 ZINC000071142515 173370687 /nfs/dbraw/zinc/37/06/87/173370687.db2.gz HMMZHLKLDHANAP-LBPRGKRZSA-N 2 1 236.334 2.175 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC000226636902 173371348 /nfs/dbraw/zinc/37/13/48/173371348.db2.gz DIMMXLIUXHJEDD-RYUDHWBXSA-N 2 1 236.334 2.428 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC000226636902 173371349 /nfs/dbraw/zinc/37/13/49/173371349.db2.gz DIMMXLIUXHJEDD-RYUDHWBXSA-N 2 1 236.334 2.428 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(C)c2C)C1 ZINC000071142593 173382008 /nfs/dbraw/zinc/38/20/08/173382008.db2.gz MJCJUUVQPGBFGO-CQSZACIVSA-N 2 1 232.371 2.345 20 0 BEADMP COCCCCC[N@@H+](C)CCCn1ccnc1 ZINC000124424176 174176101 /nfs/dbraw/zinc/17/61/01/174176101.db2.gz LPKZYLWATONUGX-UHFFFAOYSA-N 2 1 239.363 2.022 20 0 BEADMP COCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340179968 174339969 /nfs/dbraw/zinc/33/99/69/174339969.db2.gz ZSZVWMSKYUHTIH-GJZGRUSLSA-N 2 1 248.370 2.058 20 0 BEADMP COCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340179968 174339971 /nfs/dbraw/zinc/33/99/71/174339971.db2.gz ZSZVWMSKYUHTIH-GJZGRUSLSA-N 2 1 248.370 2.058 20 0 BEADMP COc1ccc(C)cc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094342052 175074416 /nfs/dbraw/zinc/07/44/16/175074416.db2.gz BXQAKALPYWFWCZ-OCCSQVGLSA-N 2 1 248.370 2.173 20 0 BEADMP COc1ccc(C)cc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094342052 175074418 /nfs/dbraw/zinc/07/44/18/175074418.db2.gz BXQAKALPYWFWCZ-OCCSQVGLSA-N 2 1 248.370 2.173 20 0 BEADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1C ZINC000050597691 175099476 /nfs/dbraw/zinc/09/94/76/175099476.db2.gz KPEGFRJHASSHGD-CQSZACIVSA-N 2 1 248.370 2.174 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000163389060 175101143 /nfs/dbraw/zinc/10/11/43/175101143.db2.gz AKYHEKAJWVADHZ-OCCSQVGLSA-N 2 1 248.370 2.112 20 0 BEADMP COc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000019958630 175188677 /nfs/dbraw/zinc/18/86/77/175188677.db2.gz IUBIAQCVACWXGF-LBPRGKRZSA-N 2 1 236.359 2.298 20 0 BEADMP COc1cccc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000020128918 175264039 /nfs/dbraw/zinc/26/40/39/175264039.db2.gz WDTIUAQBSBSNTG-UHFFFAOYSA-N 2 1 248.370 2.271 20 0 BEADMP COc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000105480727 175267876 /nfs/dbraw/zinc/26/78/76/175267876.db2.gz ZGYKOAUGHLRSPA-DOMZBBRYSA-N 2 1 248.370 2.125 20 0 BEADMP COc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)CC2)c1 ZINC000076693008 175267900 /nfs/dbraw/zinc/26/79/00/175267900.db2.gz PNNMPOVYVRWWHT-AWEZNQCLSA-N 2 1 248.370 2.269 20 0 BEADMP COc1cccc(Cl)c1C[NH2+]C[C@H](C)C[NH3+] ZINC000336685983 175273350 /nfs/dbraw/zinc/27/33/50/175273350.db2.gz UKWOMTAHFNZELR-SECBINFHSA-N 2 1 242.750 2.033 20 0 BEADMP COc1ccccc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000049551759 175329928 /nfs/dbraw/zinc/32/99/28/175329928.db2.gz LYEOKAVITOZYSU-GFCCVEGCSA-N 2 1 236.359 2.125 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1F ZINC000038041486 175861215 /nfs/dbraw/zinc/86/12/15/175861215.db2.gz WYTVWNPGILJWHA-SNVBAGLBSA-N 2 1 222.307 2.228 20 0 BEADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cccc(F)c1 ZINC000342088545 175867302 /nfs/dbraw/zinc/86/73/02/175867302.db2.gz AAOSGZUVQVPTKK-SNVBAGLBSA-N 2 1 222.307 2.358 20 0 BEADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245340 176014031 /nfs/dbraw/zinc/01/40/31/176014031.db2.gz VVTQYIZTDJMBKI-VHSXEESVSA-N 2 1 240.297 2.306 20 0 BEADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245340 176014033 /nfs/dbraw/zinc/01/40/33/176014033.db2.gz VVTQYIZTDJMBKI-VHSXEESVSA-N 2 1 240.297 2.306 20 0 BEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251604126 176021449 /nfs/dbraw/zinc/02/14/49/176021449.db2.gz DEXULUOWZSCBAU-MBNYWOFBSA-N 2 1 218.344 2.417 20 0 BEADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527645 176022315 /nfs/dbraw/zinc/02/23/15/176022315.db2.gz NVTLGACRAYICGY-QWHCGFSZSA-N 2 1 218.344 2.418 20 0 BEADMP C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226325927 176027911 /nfs/dbraw/zinc/02/79/11/176027911.db2.gz WWMCKIQIONJJKV-STQMWFEESA-N 2 1 233.359 2.203 20 0 BEADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccnc1 ZINC000019912948 176071527 /nfs/dbraw/zinc/07/15/27/176071527.db2.gz HTLKCMHZUHGNQK-CQSZACIVSA-N 2 1 247.386 2.436 20 0 BEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccnc1 ZINC000019912948 176071528 /nfs/dbraw/zinc/07/15/28/176071528.db2.gz HTLKCMHZUHGNQK-CQSZACIVSA-N 2 1 247.386 2.436 20 0 BEADMP C[C@@H]1CCC[N@H+](C[C@H]([NH3+])Cc2ccccc2)C1 ZINC000037115959 176100231 /nfs/dbraw/zinc/10/02/31/176100231.db2.gz KBXXQGMLBLCCMA-UKRRQHHQSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@H]([NH3+])Cc2ccccc2)C1 ZINC000037115959 176100232 /nfs/dbraw/zinc/10/02/32/176100232.db2.gz KBXXQGMLBLCCMA-UKRRQHHQSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@@H]1CCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335604328 176149454 /nfs/dbraw/zinc/14/94/54/176149454.db2.gz WYQKMICPHZGGRJ-DGCLKSJQSA-N 2 1 208.349 2.027 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000335024126 176185092 /nfs/dbraw/zinc/18/50/92/176185092.db2.gz WEOSWJKCXDAJAO-PWSUYJOCSA-N 2 1 246.345 2.400 20 0 BEADMP C[C@@H]1CC[C@@H](C)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000084048138 176197972 /nfs/dbraw/zinc/19/79/72/176197972.db2.gz RNWBTYAMEAKDKT-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H]2CCC[NH2+]C2)C1 ZINC000235332458 176206834 /nfs/dbraw/zinc/20/68/34/176206834.db2.gz STWCNQFYYRDJCH-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309829093 176218080 /nfs/dbraw/zinc/21/80/80/176218080.db2.gz YBQKDAGYLWXZHS-RKQHYHRCSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000336749062 176268967 /nfs/dbraw/zinc/26/89/67/176268967.db2.gz TYWUWPWZQZOVME-FRRDWIJNSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000336749062 176268969 /nfs/dbraw/zinc/26/89/69/176268969.db2.gz TYWUWPWZQZOVME-FRRDWIJNSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCSC1 ZINC000304519492 176270993 /nfs/dbraw/zinc/27/09/93/176270993.db2.gz PEYPHDYBPMHZBG-JHJVBQTASA-N 2 1 242.432 2.059 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CCCC1 ZINC000036908583 176278335 /nfs/dbraw/zinc/27/83/35/176278335.db2.gz ADPPVWLZEVORLJ-BZPMIXESSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[C@H](F)C1 ZINC000309798613 176279365 /nfs/dbraw/zinc/27/93/65/176279365.db2.gz QSIZYOUBZNPJIM-LBELIVKGSA-N 2 1 228.355 2.195 20 0 BEADMP C[C@@H]1C[N@@H+](CC2(C)CCC2)C[C@@]1(C)C[NH3+] ZINC000309013391 176284256 /nfs/dbraw/zinc/28/42/56/176284256.db2.gz YJBXWJWMIAANFQ-DGCLKSJQSA-N 2 1 210.365 2.093 20 0 BEADMP C[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@@H]1[NH3+] ZINC000235361061 176288006 /nfs/dbraw/zinc/28/80/06/176288006.db2.gz ZTDWQJFLWKRRLN-YPMHNXCESA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC000336650834 176292975 /nfs/dbraw/zinc/29/29/75/176292975.db2.gz TYIXCIYRMDZWGD-UPJWGTAASA-N 2 1 210.365 2.059 20 0 BEADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)C(C)(C)C1 ZINC000335631442 176293829 /nfs/dbraw/zinc/29/38/29/176293829.db2.gz PBPAGEFQEGDBPY-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)[C@@H]1C ZINC000336697652 176374642 /nfs/dbraw/zinc/37/46/42/176374642.db2.gz ZFZCZIFTEQEWAQ-JHJVBQTASA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC2(C)C)CC[N@H+]1C ZINC000300360420 176376395 /nfs/dbraw/zinc/37/63/95/176376395.db2.gz YHHRVYUEZBNPDP-UTUOFQBUSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccs2)CC[N@@H+]1C ZINC000090721234 176378315 /nfs/dbraw/zinc/37/83/15/176378315.db2.gz YHCXPELEHCKDMM-MNOVXSKESA-N 2 1 224.373 2.320 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccs2)CC[N@H+]1C ZINC000090721234 176378318 /nfs/dbraw/zinc/37/83/18/176378318.db2.gz YHCXPELEHCKDMM-MNOVXSKESA-N 2 1 224.373 2.320 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000309736794 176395967 /nfs/dbraw/zinc/39/59/67/176395967.db2.gz CNFZAJNPCGOHBF-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000309775596 176397354 /nfs/dbraw/zinc/39/73/54/176397354.db2.gz LPSZJWSLJCBQIJ-RKQHYHRCSA-N 2 1 222.376 2.105 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cccc(O)c1 ZINC000261551882 176924382 /nfs/dbraw/zinc/92/43/82/176924382.db2.gz MMOGRWDOGFTHOK-SUNKGSAMSA-N 2 1 234.343 2.041 20 0 BEADMP C[C@H](c1cccc(O)c1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226437845 177037934 /nfs/dbraw/zinc/03/79/34/177037934.db2.gz GSNRSUJSCLGWQC-CHWSQXEVSA-N 2 1 248.370 2.385 20 0 BEADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169589 177043977 /nfs/dbraw/zinc/04/39/77/177043977.db2.gz WWMCKIQIONJJKV-CHWSQXEVSA-N 2 1 233.359 2.203 20 0 BEADMP C[C@H](c1ccccn1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125318735 177044047 /nfs/dbraw/zinc/04/40/47/177044047.db2.gz NZZGOCAJVWEUFJ-RQJABVFESA-N 2 1 245.370 2.202 20 0 BEADMP C[C@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000042856401 177079699 /nfs/dbraw/zinc/07/96/99/177079699.db2.gz RFJLHSSBKWKONS-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000084048129 177183143 /nfs/dbraw/zinc/18/31/43/177183143.db2.gz RNWBTYAMEAKDKT-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000309105912 177193229 /nfs/dbraw/zinc/19/32/29/177193229.db2.gz HWKXDEILZBQEHM-WCQYABFASA-N 2 1 208.349 2.027 20 0 BEADMP C[C@H]1CC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000309818101 177207698 /nfs/dbraw/zinc/20/76/98/177207698.db2.gz VSPDERZCMAYJFA-GXSJLCMTSA-N 2 1 239.388 2.093 20 0 BEADMP C[C@H]1C[N@@H+](CCC2CCCCC2)C[C@@H]1[NH3+] ZINC000235675818 177246254 /nfs/dbraw/zinc/24/62/54/177246254.db2.gz ZTDWQJFLWKRRLN-AAEUAGOBSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]1C[N@@H+](CC2CCCCCC2)C[C@@H]1[NH3+] ZINC000235669464 177246631 /nfs/dbraw/zinc/24/66/31/177246631.db2.gz ZVRBWVXUAJALGW-AAEUAGOBSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]1C[N@@H+](CCCc2ccccc2)CC[C@@H]1[NH3+] ZINC000049713012 177249890 /nfs/dbraw/zinc/24/98/90/177249890.db2.gz DRNWZLBWEXEPDR-ZFWWWQNUSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000026515085 177312651 /nfs/dbraw/zinc/31/26/51/177312651.db2.gz ZFUSEAGMIYQSFG-BETUJISGSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cc[nH]c2)C1 ZINC000086251047 177313635 /nfs/dbraw/zinc/31/36/35/177313635.db2.gz XTJQBEUQYQCMBW-OKILXGFUSA-N 2 1 249.402 2.472 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1ccccc1 ZINC000049708927 177327708 /nfs/dbraw/zinc/32/77/08/177327708.db2.gz NSBXMYHTQVVHAT-JSGCOSHPSA-N 2 1 218.344 2.041 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(O)cc2)CC[N@H+]1C ZINC000156113757 177331766 /nfs/dbraw/zinc/33/17/66/177331766.db2.gz STRYNYQFCVQJRC-JSGCOSHPSA-N 2 1 248.370 2.007 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000309050385 177335145 /nfs/dbraw/zinc/33/51/45/177335145.db2.gz PIVVJSVBOPVVLH-NAWOPXAZSA-N 2 1 210.365 2.103 20 0 BEADMP C[C@H]1C[C@@H]1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000339406329 177342302 /nfs/dbraw/zinc/34/23/02/177342302.db2.gz GEGUPNWLMMYFKQ-DZGCQCFKSA-N 2 1 232.371 2.493 20 0 BEADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C[C@H]1C[C@@H]1C ZINC000336755667 177345526 /nfs/dbraw/zinc/34/55/26/177345526.db2.gz XUXMDDFHXMPAKK-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1C[C@H](C[N@@H+](C)CC2CCC2)CC[NH2+]1 ZINC000235723537 177361829 /nfs/dbraw/zinc/36/18/29/177361829.db2.gz XXOBGIURTPNGSY-WCQYABFASA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1C[C@H](N(C)Cc2cccc(O)c2)CC[N@H+]1C ZINC000093644762 177364510 /nfs/dbraw/zinc/36/45/10/177364510.db2.gz XOWUZAYHCKPZIB-GXTWGEPZSA-N 2 1 248.370 2.307 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1CCCC1 ZINC000036908584 177369221 /nfs/dbraw/zinc/36/92/21/177369221.db2.gz ADPPVWLZEVORLJ-DYEKYZERSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CCOc2ccccc2)CC[N@@H+]1C ZINC000129652449 177370186 /nfs/dbraw/zinc/37/01/86/177370186.db2.gz XBJHOCRFFJIVDB-UONOGXRCSA-N 2 1 248.370 2.138 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CCOc2ccccc2)CC[N@H+]1C ZINC000129652449 177370188 /nfs/dbraw/zinc/37/01/88/177370188.db2.gz XBJHOCRFFJIVDB-UONOGXRCSA-N 2 1 248.370 2.138 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCCCCC1 ZINC000129557983 177394991 /nfs/dbraw/zinc/39/49/91/177394991.db2.gz AREKODWKUXPTAP-YPMHNXCESA-N 2 1 210.365 2.439 20 0 BEADMP Cc1cc(N2CC[N@@H+](C)[C@H](C(C)C)C2)cc[nH+]1 ZINC000487078080 225286882 /nfs/dbraw/zinc/28/68/82/225286882.db2.gz XWTKXASOTAYVSJ-AWEZNQCLSA-N 2 1 233.359 2.166 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000488310706 225366546 /nfs/dbraw/zinc/36/65/46/225366546.db2.gz HJMONTNTFAWEAR-SYQHCUMBSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000488310706 225366550 /nfs/dbraw/zinc/36/65/50/225366550.db2.gz HJMONTNTFAWEAR-SYQHCUMBSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000488310706 225366554 /nfs/dbraw/zinc/36/65/54/225366554.db2.gz HJMONTNTFAWEAR-SYQHCUMBSA-N 2 1 222.376 2.059 20 0 BEADMP COCC(C)(C)C[NH2+]CC[N@H+](C)C1CCCC1 ZINC000494040636 226260206 /nfs/dbraw/zinc/26/02/06/226260206.db2.gz YFRFYQSRBDTJMD-UHFFFAOYSA-N 2 1 242.407 2.123 20 0 BEADMP COCC(C)(C)C[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000494040636 226260207 /nfs/dbraw/zinc/26/02/07/226260207.db2.gz YFRFYQSRBDTJMD-UHFFFAOYSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@H](Cc1cccs1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400457251 226344032 /nfs/dbraw/zinc/34/40/32/226344032.db2.gz QGTXZYHWYFYWPY-MDZLAQPJSA-N 2 1 238.400 2.409 20 0 BEADMP CC(C)CC[N@@H+](CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000096997299 487685476 /nfs/dbraw/zinc/68/54/76/487685476.db2.gz RUAKSIVNWNHGAX-CYBMUJFWSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH2+]CC[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC000414838044 487693886 /nfs/dbraw/zinc/69/38/86/487693886.db2.gz YJHRLQGDOZLHCT-STQMWFEESA-N 2 1 212.381 2.400 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000411263449 487697239 /nfs/dbraw/zinc/69/72/39/487697239.db2.gz FEFIRAOOTQPRBV-FVQBIDKESA-N 2 1 244.382 2.426 20 0 BEADMP Cc1cnccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000228658608 487701899 /nfs/dbraw/zinc/70/18/99/487701899.db2.gz JWEJWPXTRUHLJY-LSDHHAIUSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1cnccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000228658608 487701907 /nfs/dbraw/zinc/70/19/07/487701907.db2.gz JWEJWPXTRUHLJY-LSDHHAIUSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1c[nH+]ccc1NCCC[N@H+](C)CC(C)C ZINC000651362626 487714081 /nfs/dbraw/zinc/71/40/81/487714081.db2.gz CGGRUWONMMUDMS-UHFFFAOYSA-N 2 1 235.375 2.202 20 0 BEADMP CC[C@H]1C[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)CCO1 ZINC000226340009 487714391 /nfs/dbraw/zinc/71/43/91/487714391.db2.gz JIAGANJGGRZTTH-KBPBESRZSA-N 2 1 242.407 2.264 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000250286824 487729515 /nfs/dbraw/zinc/72/95/15/487729515.db2.gz KZVAPHDQCZAGPZ-DABQJJPHSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@]1(C)CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000379462400 487734045 /nfs/dbraw/zinc/73/40/45/487734045.db2.gz UKWLVJVPNUJENT-CHWSQXEVSA-N 2 1 210.365 2.108 20 0 BEADMP C(C1CCC1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250681430 487739039 /nfs/dbraw/zinc/73/90/39/487739039.db2.gz YMTNIUSCZAGENU-UONOGXRCSA-N 2 1 222.376 2.251 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](C)C(C)(C)C)C1 ZINC000251124418 487748524 /nfs/dbraw/zinc/74/85/24/487748524.db2.gz RXFKURYNWJQPFN-RYUDHWBXSA-N 2 1 212.381 2.210 20 0 BEADMP CC[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1[NH3+] ZINC000157894876 487760695 /nfs/dbraw/zinc/76/06/95/487760695.db2.gz ZRNVHNGETJENMA-RYUDHWBXSA-N 2 1 212.381 2.482 20 0 BEADMP CC[C@@H]1C[N@H+]([C@H](C)c2cccnc2)CC[C@@H]1[NH3+] ZINC000251524469 487765225 /nfs/dbraw/zinc/76/52/25/487765225.db2.gz ACGWYUHUTQFPIC-BZPMIXESSA-N 2 1 233.359 2.202 20 0 BEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000385306678 487780139 /nfs/dbraw/zinc/78/01/39/487780139.db2.gz ZALZRROSJSHHQG-ZFWWWQNUSA-N 2 1 248.345 2.387 20 0 BEADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@H](C)C1 ZINC000051732099 487784425 /nfs/dbraw/zinc/78/44/25/487784425.db2.gz UWUDXSUCGTUOSV-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]1C[N@@H+](Cc2ccsc2)CC[C@H]1[NH3+] ZINC000251691388 487790477 /nfs/dbraw/zinc/79/04/77/487790477.db2.gz IKDYGKRRAHYDRX-VXGBXAGGSA-N 2 1 224.373 2.307 20 0 BEADMP CC[C@H]1C[N@@H+](CCCC(C)C)CC[C@H]1[NH3+] ZINC000251720829 487792713 /nfs/dbraw/zinc/79/27/13/487792713.db2.gz JYGUWFSKABZEFL-QWHCGFSZSA-N 2 1 212.381 2.482 20 0 BEADMP CC[C@H]1C[N@H+](Cc2ccccc2F)CC[C@H]1[NH3+] ZINC000251780520 487796401 /nfs/dbraw/zinc/79/64/01/487796401.db2.gz NBENLCVWIPWRFC-SMDDNHRTSA-N 2 1 236.334 2.385 20 0 BEADMP CC[C@H]1C[N@@H+](Cc2ccccc2F)CC[C@H]1[NH3+] ZINC000251780520 487796407 /nfs/dbraw/zinc/79/64/07/487796407.db2.gz NBENLCVWIPWRFC-SMDDNHRTSA-N 2 1 236.334 2.385 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000459799671 487800650 /nfs/dbraw/zinc/80/06/50/487800650.db2.gz YVRRDOGOSXHFLN-VHDGCEQUSA-N 2 1 236.403 2.497 20 0 BEADMP COC[C@@H](CC(C)(C)C)[NH2+]C1CC[NH+](C)CC1 ZINC000651669060 487814369 /nfs/dbraw/zinc/81/43/69/487814369.db2.gz CSLNCDLNCZSNMN-CYBMUJFWSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000252113763 487816482 /nfs/dbraw/zinc/81/64/82/487816482.db2.gz IDXVHGFARSKHLW-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP [NH3+]CCC[N@H+]1CCCCC[C@H]1c1ccncc1 ZINC000414671209 487817894 /nfs/dbraw/zinc/81/78/94/487817894.db2.gz NJYRXTJMEMADEO-AWEZNQCLSA-N 2 1 233.359 2.348 20 0 BEADMP C[C@H](CC1CCC1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770900 487855347 /nfs/dbraw/zinc/85/53/47/487855347.db2.gz YZCHYGLAATZPPK-YPMHNXCESA-N 2 1 210.365 2.297 20 0 BEADMP C[C@H](CC[NH3+])[NH2+]Cc1cscc1Cl ZINC000666831984 487888486 /nfs/dbraw/zinc/88/84/86/487888486.db2.gz ZUYLRJGGJILCLN-SSDOTTSWSA-N 2 1 218.753 2.228 20 0 BEADMP CN1CC(C[N@@H+](C)CC(C)(C)c2ccccc2)C1 ZINC000668540191 487906570 /nfs/dbraw/zinc/90/65/70/487906570.db2.gz ZFUIVKOVYSLXEV-UHFFFAOYSA-N 2 1 246.398 2.458 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)C(C)(C)C ZINC000667066769 487936961 /nfs/dbraw/zinc/93/69/61/487936961.db2.gz HPUUWYLRGHGVOF-IJLUTSLNSA-N 2 1 212.381 2.399 20 0 BEADMP CC[C@@H](NCC[N@H+]1CC[C@H](C)C1)c1ccncc1 ZINC000562779017 323030420 /nfs/dbraw/zinc/03/04/20/323030420.db2.gz UMUVTTJHUNFYPN-DZGCQCFKSA-N 2 1 247.386 2.464 20 0 BEADMP C[C@H]([NH3+])C[C@H](C)Nc1[nH+]ccc2cc(F)ccc21 ZINC000569694061 323037251 /nfs/dbraw/zinc/03/72/51/323037251.db2.gz IJWLKUAJEDUURH-UWVGGRQHSA-N 2 1 247.317 2.334 20 0 BEADMP CCCc1csc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])n1 ZINC000569724087 323038953 /nfs/dbraw/zinc/03/89/53/323038953.db2.gz PRLMRUZAIKQJQH-UWVGGRQHSA-N 2 1 241.404 2.311 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccoc1 ZINC000572630635 323039287 /nfs/dbraw/zinc/03/92/87/323039287.db2.gz GTRNROLZIQWTBS-FOGDFJRCSA-N 2 1 208.305 2.071 20 0 BEADMP C1=CC[C@@H](C[NH2+]CCC[NH+]2CCC2)CC1 ZINC000572735540 323041297 /nfs/dbraw/zinc/04/12/97/323041297.db2.gz YJLYUGQQORXVJW-CYBMUJFWSA-N 2 1 208.349 2.028 20 0 BEADMP C1=CC[C@H](C[NH2+]CCC[NH+]2CCC2)CC1 ZINC000572735541 323041316 /nfs/dbraw/zinc/04/13/16/323041316.db2.gz YJLYUGQQORXVJW-ZDUSSCGKSA-N 2 1 208.349 2.028 20 0 BEADMP Cc1cccc2c1cc[nH+]c2N(C)CCC[NH3+] ZINC000570044511 323048302 /nfs/dbraw/zinc/04/83/02/323048302.db2.gz OBYDXHIJDYBWEF-UHFFFAOYSA-N 2 1 229.327 2.328 20 0 BEADMP Cc1nc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)sc1C ZINC000570106709 323050093 /nfs/dbraw/zinc/05/00/93/323050093.db2.gz OLWNZPHCRQSEBG-QWRGUYRKSA-N 2 1 239.388 2.119 20 0 BEADMP Cc1nc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)sc1C ZINC000570106708 323050150 /nfs/dbraw/zinc/05/01/50/323050150.db2.gz OLWNZPHCRQSEBG-MNOVXSKESA-N 2 1 239.388 2.119 20 0 BEADMP CCCc1cccc(C[N@@H+](C)CCC[NH3+])c1 ZINC000570396383 323058406 /nfs/dbraw/zinc/05/84/06/323058406.db2.gz JNDWRQKNYBRZSX-UHFFFAOYSA-N 2 1 220.360 2.420 20 0 BEADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000570673560 323066608 /nfs/dbraw/zinc/06/66/08/323066608.db2.gz DHTVHKBKHRYKEK-WCQYABFASA-N 2 1 249.358 2.159 20 0 BEADMP Cc1cccc(C[NH2+]CCC[NH+]2CCC2)c1C ZINC000534311518 323116224 /nfs/dbraw/zinc/11/62/24/323116224.db2.gz OTXPVYKUFJBHDZ-UHFFFAOYSA-N 2 1 232.371 2.489 20 0 BEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1F ZINC000401787822 323122837 /nfs/dbraw/zinc/12/28/37/323122837.db2.gz UXDUMVSAXFCVOO-LLVKDONJSA-N 2 1 247.317 2.453 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCc2ccccc21 ZINC000401832020 323127759 /nfs/dbraw/zinc/12/77/59/323127759.db2.gz JWDXVMDNXBIELT-OAHLLOKOSA-N 2 1 241.338 2.240 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CCc2c[nH+]cn2C)C[C@@H]1C ZINC000401879749 323128769 /nfs/dbraw/zinc/12/87/69/323128769.db2.gz PSEMNHYWANWNAD-FRRDWIJNSA-N 2 1 235.375 2.377 20 0 BEADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000252180558 323141331 /nfs/dbraw/zinc/14/13/31/323141331.db2.gz PYOKJFOPPONBTB-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000414945624 323152214 /nfs/dbraw/zinc/15/22/14/323152214.db2.gz QTJGHANBILXLHE-STQMWFEESA-N 2 1 220.360 2.253 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000531940792 323155981 /nfs/dbraw/zinc/15/59/81/323155981.db2.gz MRBLERYZRSCBKY-AAEUAGOBSA-N 2 1 236.359 2.203 20 0 BEADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000394937715 323184695 /nfs/dbraw/zinc/18/46/95/323184695.db2.gz CHCSGVLUGOORJU-HONMWMINSA-N 2 1 248.370 2.270 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](CC1CC1)C(C)C ZINC000535747061 323190276 /nfs/dbraw/zinc/19/02/76/323190276.db2.gz VZOHSUADVUGCCB-UHFFFAOYSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](CC1CC1)C(C)C ZINC000535747061 323190277 /nfs/dbraw/zinc/19/02/77/323190277.db2.gz VZOHSUADVUGCCB-UHFFFAOYSA-N 2 1 221.348 2.312 20 0 BEADMP CC[C@@]1(C)CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000399422500 323206029 /nfs/dbraw/zinc/20/60/29/323206029.db2.gz VKEABJNQPGHWIN-STQMWFEESA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC000530224057 323218527 /nfs/dbraw/zinc/21/85/27/323218527.db2.gz KQZIMEQPCBKFLN-WZRBSPASSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@H]1C[C@H]1C ZINC000321658946 323387253 /nfs/dbraw/zinc/38/72/53/323387253.db2.gz WLHQNWREKIFLDQ-AGIUHOORSA-N 2 1 224.392 2.495 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CCN(C/C=C(/C)Cl)C1 ZINC000528396508 324220346 /nfs/dbraw/zinc/22/03/46/324220346.db2.gz IEPCQZHTWCRWDB-QJGQKNTRSA-N 2 1 230.783 2.403 20 0 BEADMP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130197736 325023397 /nfs/dbraw/zinc/02/33/97/325023397.db2.gz NCHMNIFHVAOTIW-KWCYVHTRSA-N 2 1 222.376 2.391 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CSC[C@H]2C)C1 ZINC000304365268 325146184 /nfs/dbraw/zinc/14/61/84/325146184.db2.gz FFYHAEMWNOEDRZ-JHJVBQTASA-N 2 1 242.432 2.058 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C(C)(C)C ZINC000133321848 325285946 /nfs/dbraw/zinc/28/59/46/325285946.db2.gz UFNNQNMKVZLSJX-NWDGAFQWSA-N 2 1 212.381 2.352 20 0 BEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCCOC)C1 ZINC000076002682 325324682 /nfs/dbraw/zinc/32/46/82/325324682.db2.gz KDTMMKNZZKWSAT-CQSZACIVSA-N 2 1 242.407 2.077 20 0 BEADMP CC[C@@H]1C[N@@H+](Cc2ccsc2)CC[C@@H]1[NH3+] ZINC000122221229 487969403 /nfs/dbraw/zinc/96/94/03/487969403.db2.gz IKDYGKRRAHYDRX-NEPJUHHUSA-N 2 1 224.373 2.307 20 0 BEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000566423925 326044591 /nfs/dbraw/zinc/04/45/91/326044591.db2.gz HBMZFTLUQXNDDS-AWEZNQCLSA-N 2 1 247.386 2.475 20 0 BEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000566423925 326044595 /nfs/dbraw/zinc/04/45/95/326044595.db2.gz HBMZFTLUQXNDDS-AWEZNQCLSA-N 2 1 247.386 2.475 20 0 BEADMP COCc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000566473725 326053769 /nfs/dbraw/zinc/05/37/69/326053769.db2.gz LWTFWVCQLXAWNF-UHFFFAOYSA-N 2 1 248.370 2.018 20 0 BEADMP C[C@H]([NH2+][C@H]1CC12CCCC2)c1c[nH+]ccc1N ZINC000567375333 326177759 /nfs/dbraw/zinc/17/77/59/326177759.db2.gz RVRNBYNUJBBRCU-GWCFXTLKSA-N 2 1 231.343 2.477 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCC1(C)C ZINC000568182726 326321975 /nfs/dbraw/zinc/32/19/75/326321975.db2.gz ZOXVEXZVBDTGDJ-NWDGAFQWSA-N 2 1 210.365 2.249 20 0 BEADMP CC[N@H+]1CCC[C@@H](CN[C@@H](C)c2ccccn2)C1 ZINC000158881405 326345311 /nfs/dbraw/zinc/34/53/11/326345311.db2.gz JDXUDPPSZDGOBO-KBPBESRZSA-N 2 1 247.386 2.464 20 0 BEADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000158881405 326345312 /nfs/dbraw/zinc/34/53/12/326345312.db2.gz JDXUDPPSZDGOBO-KBPBESRZSA-N 2 1 247.386 2.464 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000158881405 326345313 /nfs/dbraw/zinc/34/53/13/326345313.db2.gz JDXUDPPSZDGOBO-KBPBESRZSA-N 2 1 247.386 2.464 20 0 BEADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1cncc(F)c1 ZINC000568617235 326367855 /nfs/dbraw/zinc/36/78/55/326367855.db2.gz ZAESBTNCVMZEQO-LLVKDONJSA-N 2 1 239.338 2.259 20 0 BEADMP CCc1cccc(C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000568630904 326368928 /nfs/dbraw/zinc/36/89/28/326368928.db2.gz VEBMTIHIBBOZCR-OAHLLOKOSA-N 2 1 232.371 2.420 20 0 BEADMP COc1cccc(C[C@@H]2CCC[N@@H+]2C[C@@H](C)[NH3+])c1 ZINC000568749353 326374849 /nfs/dbraw/zinc/37/48/49/326374849.db2.gz VYVNQVNVZFXTRO-OCCSQVGLSA-N 2 1 248.370 2.049 20 0 BEADMP COc1cccc(C[C@@H]2CCC[N@H+]2C[C@@H](C)[NH3+])c1 ZINC000568749353 326374851 /nfs/dbraw/zinc/37/48/51/326374851.db2.gz VYVNQVNVZFXTRO-OCCSQVGLSA-N 2 1 248.370 2.049 20 0 BEADMP CC[C@@H]1C[C@@H](C[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000569290964 326399016 /nfs/dbraw/zinc/39/90/16/326399016.db2.gz OEGNOKNKBPXYDT-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP CC[N@@H+]1CCN(c2ccncc2Cl)C[C@H]1C ZINC000677152182 487984817 /nfs/dbraw/zinc/98/48/17/487984817.db2.gz JSOVTNQHMZVILT-SNVBAGLBSA-N 2 1 239.750 2.265 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000677236880 488004153 /nfs/dbraw/zinc/00/41/53/488004153.db2.gz VLBTZYFYIMMGPE-UONOGXRCSA-N 2 1 248.370 2.347 20 0 BEADMP CC(C)[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667472329 488019297 /nfs/dbraw/zinc/01/92/97/488019297.db2.gz CSMYKNZBVXMOKZ-UHFFFAOYSA-N 2 1 230.315 2.108 20 0 BEADMP Cc1ncc(C[N@@H+](C)Cc2cccs2)n1C ZINC000667475404 488020358 /nfs/dbraw/zinc/02/03/58/488020358.db2.gz OUMUKUACXQUVPU-UHFFFAOYSA-N 2 1 235.356 2.422 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000663509948 488055164 /nfs/dbraw/zinc/05/51/64/488055164.db2.gz BLDUXQKDLYJBNO-STQMWFEESA-N 2 1 220.360 2.063 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)CCCC(C)C ZINC000663510252 488055515 /nfs/dbraw/zinc/05/55/15/488055515.db2.gz CTEBQZZIGQWHEI-NEPJUHHUSA-N 2 1 200.370 2.399 20 0 BEADMP Cc1nc(N[C@@H]2CCC[C@@H]([NH3+])C2)c(C)c(C)[nH+]1 ZINC000257665764 488078421 /nfs/dbraw/zinc/07/84/21/488078421.db2.gz YCSAZDLYUOCGDM-VXGBXAGGSA-N 2 1 234.347 2.084 20 0 BEADMP Fc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000257698978 488082609 /nfs/dbraw/zinc/08/26/09/488082609.db2.gz PMZZNVIHOYTJOT-OAHLLOKOSA-N 2 1 248.345 2.401 20 0 BEADMP Fc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000257698978 488082612 /nfs/dbraw/zinc/08/26/12/488082612.db2.gz PMZZNVIHOYTJOT-OAHLLOKOSA-N 2 1 248.345 2.401 20 0 BEADMP Cc1ccnc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000683010615 488090337 /nfs/dbraw/zinc/09/03/37/488090337.db2.gz CIFDNNGOQCENOW-DZGCQCFKSA-N 2 1 247.386 2.305 20 0 BEADMP C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CC[N@H+](C2CC2)C1 ZINC000378890531 488109737 /nfs/dbraw/zinc/10/97/37/488109737.db2.gz PVMWLGVKMFPXLZ-UXOAXIEHSA-N 2 1 234.387 2.249 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000378960180 488113519 /nfs/dbraw/zinc/11/35/19/488113519.db2.gz POGJRQPEEFMITM-LJISPDSOSA-N 2 1 236.403 2.495 20 0 BEADMP C[N@@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC[NH2+]CC1 ZINC000403171515 488117036 /nfs/dbraw/zinc/11/70/36/488117036.db2.gz KMMKHNHDXOKLKH-UPJWGTAASA-N 2 1 222.376 2.106 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667796579 488123628 /nfs/dbraw/zinc/12/36/28/488123628.db2.gz PJECVSPMODDHMB-XGUBFFRZSA-N 2 1 236.403 2.497 20 0 BEADMP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000403451158 488124171 /nfs/dbraw/zinc/12/41/71/488124171.db2.gz GBJDAVBNRVNALV-KHMAMNHCSA-N 2 1 234.387 2.249 20 0 BEADMP CC[C@H]1C[N@@H+](CCc2ccccc2)CC[C@@H]1[NH3+] ZINC000022130143 487478331 /nfs/dbraw/zinc/47/83/31/487478331.db2.gz JBWFBMMQKGBHTC-GJZGRUSLSA-N 2 1 232.371 2.288 20 0 BEADMP CC[C@H]1C[N@@H+](CCCC(C)C)CC[C@@H]1[NH3+] ZINC000161559906 487503200 /nfs/dbraw/zinc/50/32/00/487503200.db2.gz JYGUWFSKABZEFL-STQMWFEESA-N 2 1 212.381 2.482 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1ccccc1C1CC1 ZINC000227742546 487511381 /nfs/dbraw/zinc/51/13/81/487511381.db2.gz JDLDAOCYMKEXDQ-UHFFFAOYSA-N 2 1 218.344 2.345 20 0 BEADMP CCc1ccccc1C[N@@H+](C)CCC[NH3+] ZINC000227745019 487510829 /nfs/dbraw/zinc/51/08/29/487510829.db2.gz HMUWLKXMIJKJHC-UHFFFAOYSA-N 2 1 206.333 2.030 20 0 BEADMP C(CC1CCC1)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000662274475 487522568 /nfs/dbraw/zinc/52/25/68/487522568.db2.gz UPXDSNJUUCTVHL-KBPBESRZSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@H](c1ccncc1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086637513 487523331 /nfs/dbraw/zinc/52/33/31/487523331.db2.gz CEXSMVLFFDEUHB-LLVKDONJSA-N 2 1 221.348 2.059 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1ccc2ncccc2c1 ZINC000020247980 487534860 /nfs/dbraw/zinc/53/48/60/487534860.db2.gz DWHHIJBLYJUHHI-UHFFFAOYSA-N 2 1 229.327 2.015 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)CCC(C)C ZINC000677980929 488167603 /nfs/dbraw/zinc/16/76/03/488167603.db2.gz OAHKTOLNFHQCJW-UHFFFAOYSA-N 2 1 209.337 2.169 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)CCC(C)C ZINC000677980929 488167605 /nfs/dbraw/zinc/16/76/05/488167605.db2.gz OAHKTOLNFHQCJW-UHFFFAOYSA-N 2 1 209.337 2.169 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C(C)(C)C ZINC000310563647 488168993 /nfs/dbraw/zinc/16/89/93/488168993.db2.gz WOTRDOKSYHWAAQ-STQMWFEESA-N 2 1 244.423 2.054 20 0 BEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000310563647 488168996 /nfs/dbraw/zinc/16/89/96/488168996.db2.gz WOTRDOKSYHWAAQ-STQMWFEESA-N 2 1 244.423 2.054 20 0 BEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000310563647 488168998 /nfs/dbraw/zinc/16/89/98/488168998.db2.gz WOTRDOKSYHWAAQ-STQMWFEESA-N 2 1 244.423 2.054 20 0 BEADMP Cc1ccccc1C[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000435383466 488170841 /nfs/dbraw/zinc/17/08/41/488170841.db2.gz GXNDHYWERKRBHJ-CYBMUJFWSA-N 2 1 220.360 2.207 20 0 BEADMP CCSCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000136296336 488177464 /nfs/dbraw/zinc/17/74/64/488177464.db2.gz HIJDDVAYOOKEJW-UHFFFAOYSA-N 2 1 241.404 2.267 20 0 BEADMP CCSCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000136296336 488177470 /nfs/dbraw/zinc/17/74/70/488177470.db2.gz HIJDDVAYOOKEJW-UHFFFAOYSA-N 2 1 241.404 2.267 20 0 BEADMP Cc1ncc(C[N@H+]2CCS[C@H](C)CC2)n1C ZINC000668061482 488196612 /nfs/dbraw/zinc/19/66/12/488196612.db2.gz JDRHKIKSQSLGAN-SNVBAGLBSA-N 2 1 239.388 2.056 20 0 BEADMP Cc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)cn1 ZINC000453590782 488203468 /nfs/dbraw/zinc/20/34/68/488203468.db2.gz BGJPEHVMWLOSGO-UHFFFAOYSA-N 2 1 247.386 2.354 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC1CCC1 ZINC000398612560 488220551 /nfs/dbraw/zinc/22/05/51/488220551.db2.gz AUBGHZQWBKBMIS-CYBMUJFWSA-N 2 1 212.381 2.482 20 0 BEADMP C[N@@H+](CCC1CCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000398626392 488220578 /nfs/dbraw/zinc/22/05/78/488220578.db2.gz IBGDOVCNMANXEL-PBWFPOADSA-N 2 1 222.376 2.391 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679225299 488321667 /nfs/dbraw/zinc/32/16/67/488321667.db2.gz PQHJWECHVMBRNS-AAEUAGOBSA-N 2 1 239.338 2.262 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679225299 488321668 /nfs/dbraw/zinc/32/16/68/488321668.db2.gz PQHJWECHVMBRNS-AAEUAGOBSA-N 2 1 239.338 2.262 20 0 BEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(O)cc2)C1 ZINC000679392232 488350001 /nfs/dbraw/zinc/35/00/01/488350001.db2.gz KLVIFRYQYMFZOO-AWEZNQCLSA-N 2 1 248.370 2.166 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(O)cc2)C1 ZINC000679392232 488350003 /nfs/dbraw/zinc/35/00/03/488350003.db2.gz KLVIFRYQYMFZOO-AWEZNQCLSA-N 2 1 248.370 2.166 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(O)cc2)C1 ZINC000679392232 488350004 /nfs/dbraw/zinc/35/00/04/488350004.db2.gz KLVIFRYQYMFZOO-AWEZNQCLSA-N 2 1 248.370 2.166 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000679392232 488350005 /nfs/dbraw/zinc/35/00/05/488350005.db2.gz KLVIFRYQYMFZOO-AWEZNQCLSA-N 2 1 248.370 2.166 20 0 BEADMP C[N@@H+](CCCC[NH2+]Cc1ccc(O)cc1)C1CC1 ZINC000651599756 490124656 /nfs/dbraw/zinc/12/46/56/490124656.db2.gz HURHCDHMZSCWEN-UHFFFAOYSA-N 2 1 248.370 2.356 20 0 BEADMP CSCC[C@H](C)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000156878703 490254408 /nfs/dbraw/zinc/25/44/08/490254408.db2.gz PBTJEQDQHUXRTC-RYUDHWBXSA-N 2 1 230.421 2.059 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cc1cccs1 ZINC000071269753 490259905 /nfs/dbraw/zinc/25/99/05/490259905.db2.gz OCKKSXNVWJSWSW-NSHDSACASA-N 2 1 249.383 2.474 20 0 BEADMP c1oc2ccccc2c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000131043951 490470975 /nfs/dbraw/zinc/47/09/75/490470975.db2.gz AYMKZOJLWSBREJ-TXEJJXNPSA-N 2 1 242.322 2.084 20 0 BEADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300802347 490568615 /nfs/dbraw/zinc/56/86/15/490568615.db2.gz DCTPNDQNNGXZQK-GHMZBOCLSA-N 2 1 232.318 2.093 20 0 BEADMP CC[C@H]([NH2+][C@@H](C)C[NH+](CC)CC)[C@@H]1CCOC1 ZINC000301644853 490581955 /nfs/dbraw/zinc/58/19/55/490581955.db2.gz VYVVTRCLSFPDIJ-MJBXVCDLSA-N 2 1 242.407 2.121 20 0 BEADMP CCc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000401837209 490588019 /nfs/dbraw/zinc/58/80/19/490588019.db2.gz LTSDUEKWIQDRCU-UHFFFAOYSA-N 2 1 243.354 2.315 20 0 BEADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000662275366 491085745 /nfs/dbraw/zinc/08/57/45/491085745.db2.gz BIORHJFHZDXEDQ-IBEHDNSVSA-N 2 1 248.414 2.497 20 0 BEADMP Cc1ncccc1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404292489 491093592 /nfs/dbraw/zinc/09/35/92/491093592.db2.gz LVJHNICPMZWTLE-SWLSCSKDSA-N 2 1 247.386 2.339 20 0 BEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(O)cc1 ZINC000685470096 491100037 /nfs/dbraw/zinc/10/00/37/491100037.db2.gz UPZOGQPCBSUKNY-SWLSCSKDSA-N 2 1 248.370 2.164 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(O)cc1 ZINC000685470096 491100038 /nfs/dbraw/zinc/10/00/38/491100038.db2.gz UPZOGQPCBSUKNY-SWLSCSKDSA-N 2 1 248.370 2.164 20 0 BEADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(O)cc1 ZINC000685470096 491100039 /nfs/dbraw/zinc/10/00/39/491100039.db2.gz UPZOGQPCBSUKNY-SWLSCSKDSA-N 2 1 248.370 2.164 20 0 BEADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(O)cc1 ZINC000685470096 491100040 /nfs/dbraw/zinc/10/00/40/491100040.db2.gz UPZOGQPCBSUKNY-SWLSCSKDSA-N 2 1 248.370 2.164 20 0 BEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(O)cc1 ZINC000685470097 491100049 /nfs/dbraw/zinc/10/00/49/491100049.db2.gz UPZOGQPCBSUKNY-WFASDCNBSA-N 2 1 248.370 2.164 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(O)cc1 ZINC000685470097 491100050 /nfs/dbraw/zinc/10/00/50/491100050.db2.gz UPZOGQPCBSUKNY-WFASDCNBSA-N 2 1 248.370 2.164 20 0 BEADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(O)cc1 ZINC000685470097 491100051 /nfs/dbraw/zinc/10/00/51/491100051.db2.gz UPZOGQPCBSUKNY-WFASDCNBSA-N 2 1 248.370 2.164 20 0 BEADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(O)cc1 ZINC000685470097 491100052 /nfs/dbraw/zinc/10/00/52/491100052.db2.gz UPZOGQPCBSUKNY-WFASDCNBSA-N 2 1 248.370 2.164 20 0 BEADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)CCOC)C1 ZINC000088536715 491104880 /nfs/dbraw/zinc/10/48/80/491104880.db2.gz ZIIAFQBUEKTEAG-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[N@@H+](C[C@@H]1CC[C@@H](C)O1)C1CC[NH2+]CC1 ZINC000232018154 491123800 /nfs/dbraw/zinc/12/38/00/491123800.db2.gz XMZYAULPWGHSIR-OCCSQVGLSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cn1 ZINC000124327983 491126977 /nfs/dbraw/zinc/12/69/77/491126977.db2.gz FLKYWNAYHZVKHK-UHFFFAOYSA-N 2 1 247.386 2.356 20 0 BEADMP CC1=CCC[C@@H](C)[C@H]1C[N@@H+](C)CC1CN(C)C1 ZINC000668538699 491127285 /nfs/dbraw/zinc/12/72/85/491127285.db2.gz AJAZHAXIQWLOSX-HIFRSBDPSA-N 2 1 236.403 2.472 20 0 BEADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000091661370 491131337 /nfs/dbraw/zinc/13/13/37/491131337.db2.gz NXTTUVKXLPTAPV-GXTWGEPZSA-N 2 1 247.386 2.389 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)C2CC2)[C@@H](C)C1 ZINC000222858737 491134182 /nfs/dbraw/zinc/13/41/82/491134182.db2.gz BFKMJMZKCAWKPO-DYEKYZERSA-N 2 1 224.392 2.352 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCS[C@@H]2C)[C@H](C)C1 ZINC000309630424 491153241 /nfs/dbraw/zinc/15/32/41/491153241.db2.gz HPUFBJRJMFHBPT-FVCCEPFGSA-N 2 1 242.432 2.200 20 0 BEADMP CCC[C@H](C)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000223496107 535610128 /nfs/dbraw/zinc/61/01/28/535610128.db2.gz QMZLCKLSOMTUCN-STQMWFEESA-N 2 1 212.381 2.354 20 0 BEADMP CCC[C@H](C)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251286609 535610206 /nfs/dbraw/zinc/61/02/06/535610206.db2.gz GXYFGUWHCPGMAY-RWMBFGLXSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000488358714 534022527 /nfs/dbraw/zinc/02/25/27/534022527.db2.gz XZNGOGZDKFIUBI-KFWWJZLASA-N 2 1 236.403 2.450 20 0 BEADMP CC[C@H](COC)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000079706463 536120570 /nfs/dbraw/zinc/12/05/70/536120570.db2.gz LUMXGLFRGMPURO-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP CC(C)[N@H+](CC(F)F)CC1CC[NH+](C)CC1 ZINC000892230836 582810800 /nfs/dbraw/zinc/81/08/00/582810800.db2.gz LBIXXWUXFOXALE-UHFFFAOYSA-N 2 1 234.334 2.304 20 0 BEADMP CC(C)[N@@H+](CC(F)F)CC1CC[NH+](C)CC1 ZINC000892230836 582810804 /nfs/dbraw/zinc/81/08/04/582810804.db2.gz LBIXXWUXFOXALE-UHFFFAOYSA-N 2 1 234.334 2.304 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2CCCC23CCC3)CC1 ZINC000335658336 536344999 /nfs/dbraw/zinc/34/49/99/536344999.db2.gz UWOVPTOIIGGBRF-ZDUSSCGKSA-N 2 1 222.376 2.393 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000494960061 527817949 /nfs/dbraw/zinc/81/79/49/527817949.db2.gz XPQLSXMEVCJQLA-STQMWFEESA-N 2 1 242.432 2.013 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCSC2)C1 ZINC000494960061 527817940 /nfs/dbraw/zinc/81/79/40/527817940.db2.gz XPQLSXMEVCJQLA-STQMWFEESA-N 2 1 242.432 2.013 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCSC2)C1 ZINC000494960061 527817935 /nfs/dbraw/zinc/81/79/35/527817935.db2.gz XPQLSXMEVCJQLA-STQMWFEESA-N 2 1 242.432 2.013 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@@H]2C)C[C@@H]1C ZINC000488302150 527832394 /nfs/dbraw/zinc/83/23/94/527832394.db2.gz SEQJWIANPMUGFG-XUXIUFHCSA-N 2 1 224.392 2.447 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2C[C@@H]2C)C[C@@H]1C ZINC000488302150 527832397 /nfs/dbraw/zinc/83/23/97/527832397.db2.gz SEQJWIANPMUGFG-XUXIUFHCSA-N 2 1 224.392 2.447 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2C[C@@H]2C)C[C@@H]1C ZINC000488302150 527832400 /nfs/dbraw/zinc/83/24/00/527832400.db2.gz SEQJWIANPMUGFG-XUXIUFHCSA-N 2 1 224.392 2.447 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C ZINC000309100204 527989563 /nfs/dbraw/zinc/98/95/63/527989563.db2.gz GJMNNIMNHSUSID-UPJWGTAASA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C ZINC000309100204 527989570 /nfs/dbraw/zinc/98/95/70/527989570.db2.gz GJMNNIMNHSUSID-UPJWGTAASA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)CSCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400432979 528227247 /nfs/dbraw/zinc/22/72/47/528227247.db2.gz LSZKNVDHCUVMOO-RYUDHWBXSA-N 2 1 230.421 2.106 20 0 BEADMP CCC(C)(C)OCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000308715883 528593018 /nfs/dbraw/zinc/59/30/18/528593018.db2.gz BDQPBCKLVUCEBI-QWHCGFSZSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1CC1(C)C ZINC000401671993 529170716 /nfs/dbraw/zinc/17/07/16/529170716.db2.gz LZDLJGUGAJEWSE-CHWSQXEVSA-N 2 1 235.375 2.377 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCCOC)C1 ZINC000178511372 534945982 /nfs/dbraw/zinc/94/59/82/534945982.db2.gz UDVZLZPBVDDEOP-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP CC1(C)Cc2occc2[C@H]([NH2+]CC2C[NH2+]C2)C1 ZINC000335553113 534962220 /nfs/dbraw/zinc/96/22/20/534962220.db2.gz VCDMGQSTXLTHBE-GFCCVEGCSA-N 2 1 234.343 2.102 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)c1cccnc1 ZINC000251354871 535065444 /nfs/dbraw/zinc/06/54/44/535065444.db2.gz TZQWZXRENOMPNU-TZMCWYRMSA-N 2 1 235.375 2.448 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)c1cccnc1 ZINC000251354871 535065447 /nfs/dbraw/zinc/06/54/47/535065447.db2.gz TZQWZXRENOMPNU-TZMCWYRMSA-N 2 1 235.375 2.448 20 0 BEADMP CC(C)(C)[C@@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262110975 535075240 /nfs/dbraw/zinc/07/52/40/535075240.db2.gz WKHVMTRERXNDMK-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)[C@@H](C)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000261532703 535162395 /nfs/dbraw/zinc/16/23/95/535162395.db2.gz CREYAENNOCTFLF-OLZOCXBDSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000257789943 535176245 /nfs/dbraw/zinc/17/62/45/535176245.db2.gz XGYZEFMDIWROOC-ZIAGYGMSSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H]1CC[C@@H](C)C1 ZINC000223233291 535300446 /nfs/dbraw/zinc/30/04/46/535300446.db2.gz UTWGXNNTVBHEKZ-OLZOCXBDSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CC[C@@H](C)C1 ZINC000223233291 535300448 /nfs/dbraw/zinc/30/04/48/535300448.db2.gz UTWGXNNTVBHEKZ-OLZOCXBDSA-N 2 1 212.381 2.497 20 0 BEADMP CC[NH2+]CC1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000053664523 535461771 /nfs/dbraw/zinc/46/17/71/535461771.db2.gz LBSXOBCEOKHLFW-UHFFFAOYSA-N 2 1 233.359 2.216 20 0 BEADMP CC[C@@H](C)C[N@@H+](CC)CC[C@@H]1CC[NH2+]C1 ZINC000086440262 535510045 /nfs/dbraw/zinc/51/00/45/535510045.db2.gz OALCMGZWMITPMO-OLZOCXBDSA-N 2 1 212.381 2.354 20 0 BEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC000352003396 535585270 /nfs/dbraw/zinc/58/52/70/535585270.db2.gz LUVWPEWJXQQIMA-OLZOCXBDSA-N 2 1 230.371 2.398 20 0 BEADMP CCC[C@H](C)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000251347843 535629684 /nfs/dbraw/zinc/62/96/84/535629684.db2.gz PYEUMORPPLPSMQ-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C2CC(C)(F)C2)[C@H](C)C1 ZINC000335373322 535768985 /nfs/dbraw/zinc/76/89/85/535768985.db2.gz HXQCGKVKYSFLMR-IGJPJIBNSA-N 2 1 228.355 2.197 20 0 BEADMP CC[C@@H]1CCC[C@@H](C[N@H+](C)CC[NH2+]C)C1 ZINC000261541997 535820892 /nfs/dbraw/zinc/82/08/92/535820892.db2.gz GGAVXZLLOJEGIG-CHWSQXEVSA-N 2 1 212.381 2.354 20 0 BEADMP CC[C@@H]1CCC[C@@H](C[N@@H+](C)CC[NH2+]C)C1 ZINC000261541997 535820893 /nfs/dbraw/zinc/82/08/93/535820893.db2.gz GGAVXZLLOJEGIG-CHWSQXEVSA-N 2 1 212.381 2.354 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC23CCC(CC2)C3)C1 ZINC000347775878 535944983 /nfs/dbraw/zinc/94/49/83/535944983.db2.gz GTPXDZYAIAICFO-SLTAFYQDSA-N 2 1 236.403 2.450 20 0 BEADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000130237421 535946946 /nfs/dbraw/zinc/94/69/46/535946946.db2.gz SKLBFACROWMELS-MJBXVCDLSA-N 2 1 222.376 2.391 20 0 BEADMP C[NH+](C)[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000336120953 536137087 /nfs/dbraw/zinc/13/70/87/536137087.db2.gz GJAFYROZJUEDIZ-ZDUSSCGKSA-N 2 1 210.365 2.203 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261561595 536178627 /nfs/dbraw/zinc/17/86/27/536178627.db2.gz FZSFWDYBRZCXMJ-CVEARBPZSA-N 2 1 244.382 2.290 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2CCCC2(C)C)CC1 ZINC000086856235 536345540 /nfs/dbraw/zinc/34/55/40/536345540.db2.gz QITFTQKTVSCJJX-LBPRGKRZSA-N 2 1 210.365 2.249 20 0 BEADMP C1CC1[C@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000348105219 566265113 /nfs/dbraw/zinc/26/51/13/566265113.db2.gz NZRDXFYOBDUFHW-KBXIAJHMSA-N 2 1 234.387 2.391 20 0 BEADMP C1CC1[C@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000348105219 566265119 /nfs/dbraw/zinc/26/51/19/566265119.db2.gz NZRDXFYOBDUFHW-KBXIAJHMSA-N 2 1 234.387 2.391 20 0 BEADMP C1CC1[C@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000348105216 566265165 /nfs/dbraw/zinc/26/51/65/566265165.db2.gz NZRDXFYOBDUFHW-APIJFGDWSA-N 2 1 234.387 2.391 20 0 BEADMP C1CC1[C@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000348105216 566265170 /nfs/dbraw/zinc/26/51/70/566265170.db2.gz NZRDXFYOBDUFHW-APIJFGDWSA-N 2 1 234.387 2.391 20 0 BEADMP C[C@@H](CC[N@H+]1CC[C@@H](C)C1)[NH+]1CC[C@@H](C)C1 ZINC000431606914 566366454 /nfs/dbraw/zinc/36/64/54/566366454.db2.gz VQTQYAIBAKWKHT-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H](CC[NH+]1CC[C@@H](C)C1)[N@@H+]1CC[C@@H](C)C1 ZINC000431606914 566366459 /nfs/dbraw/zinc/36/64/59/566366459.db2.gz VQTQYAIBAKWKHT-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H](CC[NH+]1CC[C@@H](C)C1)[N@H+]1CC[C@@H](C)C1 ZINC000431606914 566366466 /nfs/dbraw/zinc/36/64/66/566366466.db2.gz VQTQYAIBAKWKHT-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP CC[N@@H+](CCC1CC1)CC1CC[NH+](C)CC1 ZINC000893589812 583168056 /nfs/dbraw/zinc/16/80/56/583168056.db2.gz KWRVEEGMKKZZIH-UHFFFAOYSA-N 2 1 224.392 2.450 20 0 BEADMP c1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)co1 ZINC000853093543 588719276 /nfs/dbraw/zinc/71/92/76/588719276.db2.gz MPYNIYITBSNMHJ-AWEZNQCLSA-N 2 1 248.370 2.491 20 0 BEADMP c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)co1 ZINC000853093543 588719277 /nfs/dbraw/zinc/71/92/77/588719277.db2.gz MPYNIYITBSNMHJ-AWEZNQCLSA-N 2 1 248.370 2.491 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CSC(C)(C)C ZINC000854231653 588781429 /nfs/dbraw/zinc/78/14/29/588781429.db2.gz ISPWYRBHXJCSSY-NXEZZACHSA-N 2 1 218.410 2.104 20 0 BEADMP CCC[C@@H](C)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000757135096 582514320 /nfs/dbraw/zinc/51/43/20/582514320.db2.gz YKEFQTJKBYWEMV-OLZOCXBDSA-N 2 1 210.365 2.393 20 0 BEADMP N[C@@H]1C[C@@H]([NH2+]CCCCCC[NH3+])c2ccccc21 ZINC000843344089 582533101 /nfs/dbraw/zinc/53/31/01/582533101.db2.gz QAEBFSLSWHGMJC-HUUCEWRRSA-N 2 1 247.386 2.240 20 0 BEADMP CC[C@H]1C[C@@H](C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000892068940 582784225 /nfs/dbraw/zinc/78/42/25/582784225.db2.gz WPFSVMAEUONXSZ-OCCSQVGLSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@H]1[C@@H](C)CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000893674300 583193165 /nfs/dbraw/zinc/19/31/65/583193165.db2.gz YUNFREATYGOHLA-JSGCOSHPSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@H]1[C@H](C)CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000893674301 583193520 /nfs/dbraw/zinc/19/35/20/583193520.db2.gz YUNFREATYGOHLA-OCCSQVGLSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CCCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000893678567 583197701 /nfs/dbraw/zinc/19/77/01/583197701.db2.gz LEXIECRQXCPKCK-CYBMUJFWSA-N 2 1 224.392 2.450 20 0 BEADMP CCO[C@@H](C[NH2+]Cc1c[nH]cn1)c1ccccc1 ZINC000894575585 583486705 /nfs/dbraw/zinc/48/67/05/583486705.db2.gz GHQCINPPTGXXFM-AWEZNQCLSA-N 2 1 245.326 2.277 20 0 BEADMP Cc1coc(C[N@@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000894779350 583519505 /nfs/dbraw/zinc/51/95/05/583519505.db2.gz GRMPNKCNAVIUHN-LBPRGKRZSA-N 2 1 245.326 2.311 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CCCC(F)(F)CC2)CC1 ZINC000895572701 583692206 /nfs/dbraw/zinc/69/22/06/583692206.db2.gz CLAGPDRRRJECFB-UHFFFAOYSA-N 2 1 246.345 2.449 20 0 BEADMP FC1(CN2CCC(Nc3ccccn3)CC2)CC1 ZINC000896195698 583782638 /nfs/dbraw/zinc/78/26/38/583782638.db2.gz OESQHECTZPBVDB-UHFFFAOYSA-N 2 1 249.333 2.460 20 0 BEADMP CC(C)[C@H]1CC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000335912687 583789622 /nfs/dbraw/zinc/78/96/22/583789622.db2.gz SAPBBMBAMXBZRQ-CHWSQXEVSA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000335912688 583789815 /nfs/dbraw/zinc/78/98/15/583789815.db2.gz SAPBBMBAMXBZRQ-OLZOCXBDSA-N 2 1 210.365 2.105 20 0 BEADMP C1[C@H]2CCC[C@H]2[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000897955450 584065477 /nfs/dbraw/zinc/06/54/77/584065477.db2.gz UVAGLQKMQOTMSJ-RYPNDVFKSA-N 2 1 234.387 2.391 20 0 BEADMP C1CC1[NH+]1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H]32)CC1 ZINC000897957077 584065623 /nfs/dbraw/zinc/06/56/23/584065623.db2.gz BCSCTZCSURPQEO-UGFHNGPFSA-N 2 1 234.387 2.391 20 0 BEADMP C[C@@H]1CC=CC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000898224395 584102829 /nfs/dbraw/zinc/10/28/29/584102829.db2.gz WCNUZFIWIMWGCW-AAVRWANBSA-N 2 1 222.376 2.413 20 0 BEADMP C[C@@H]1CC=CC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000898224395 584102830 /nfs/dbraw/zinc/10/28/30/584102830.db2.gz WCNUZFIWIMWGCW-AAVRWANBSA-N 2 1 222.376 2.413 20 0 BEADMP CSC1(C[N@@H+](C)CC(C)(C)C[NH+](C)C)CC1 ZINC000898308119 584109760 /nfs/dbraw/zinc/10/97/60/584109760.db2.gz OWBMKJBSDHFYBP-UHFFFAOYSA-N 2 1 244.448 2.402 20 0 BEADMP Cl/C=C/C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000898432043 584135299 /nfs/dbraw/zinc/13/52/99/584135299.db2.gz DWHARRPUAKZJLS-LZCJLJQNSA-N 2 1 228.767 2.203 20 0 BEADMP [NH3+]C1(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000902406024 584574221 /nfs/dbraw/zinc/57/42/21/584574221.db2.gz KDSOUSNAAASHSJ-HUUCEWRRSA-N 2 1 244.382 2.479 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CC2([NH3+])CC2)c2ccccc21 ZINC000902404182 584589182 /nfs/dbraw/zinc/58/91/82/584589182.db2.gz CPQDXGUAQGMDNQ-GWCFXTLKSA-N 2 1 216.328 2.316 20 0 BEADMP Cc1cc(C)cc([C@H](C)[NH2+]CC2([NH3+])CC2)c1 ZINC000902416899 584591375 /nfs/dbraw/zinc/59/13/75/584591375.db2.gz PDBIRKDJMVILEZ-LBPRGKRZSA-N 2 1 218.344 2.445 20 0 BEADMP C[C@H](Cc1cccs1)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902443158 584598335 /nfs/dbraw/zinc/59/83/35/584598335.db2.gz DGLFVRNDYQLTER-ZYHUDNBSSA-N 2 1 238.400 2.267 20 0 BEADMP [NH3+]C1(C[NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000902414038 584599876 /nfs/dbraw/zinc/59/98/76/584599876.db2.gz QWOBGUJBLVXVFI-ZDUSSCGKSA-N 2 1 248.395 2.098 20 0 BEADMP CCCC[C@H]1CCC[C@H]1[NH2+]CC1([NH3+])CC1 ZINC000902414731 584600742 /nfs/dbraw/zinc/60/07/42/584600742.db2.gz ZWOITHJQOWGZHB-NWDGAFQWSA-N 2 1 210.365 2.426 20 0 BEADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902415154 584601319 /nfs/dbraw/zinc/60/13/19/584601319.db2.gz BWLIOPHSTGEENV-NEPJUHHUSA-N 2 1 248.370 2.268 20 0 BEADMP C[C@H](CCc1ccco1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902472661 584601380 /nfs/dbraw/zinc/60/13/80/584601380.db2.gz DOLCYTSXFBFOEZ-MHDGFBEUSA-N 2 1 234.343 2.083 20 0 BEADMP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000902447069 584604242 /nfs/dbraw/zinc/60/42/42/584604242.db2.gz RECZEZVJAJSYLA-GJZGRUSLSA-N 2 1 244.382 2.132 20 0 BEADMP CC(C)C1CC([NH2+][C@H]2C[NH2+]CC2(C)C)C1 ZINC000902447592 584604615 /nfs/dbraw/zinc/60/46/15/584604615.db2.gz ZXQAFPKHYLYNFI-MCIGGMRASA-N 2 1 210.365 2.009 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCCC2(CC2)C1 ZINC000902452123 584607112 /nfs/dbraw/zinc/60/71/12/584607112.db2.gz IWACFQXAUYSHIK-AGIUHOORSA-N 2 1 222.376 2.297 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCSC(C)(C)C1 ZINC000902452834 584608054 /nfs/dbraw/zinc/60/80/54/584608054.db2.gz MLLLUVHIPXCTPJ-GRYCIOLGSA-N 2 1 242.432 2.248 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000902453651 584608729 /nfs/dbraw/zinc/60/87/29/584608729.db2.gz DHFVBKPNYUQPDL-UTUOFQBUSA-N 2 1 246.345 2.400 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1cncs1 ZINC000902456246 584610019 /nfs/dbraw/zinc/61/00/19/584610019.db2.gz OKCRXSNOCNATEA-INTQDDNPSA-N 2 1 237.372 2.064 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)[C@H]1CCC[NH2+]1 ZINC000902461271 584611745 /nfs/dbraw/zinc/61/17/45/584611745.db2.gz NLYXXBHELCNDNC-FRRDWIJNSA-N 2 1 240.391 2.064 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCCC(C)(C)O1 ZINC000902462319 584612612 /nfs/dbraw/zinc/61/26/12/584612612.db2.gz ULDRXDRKECCPMK-XQQFMLRXSA-N 2 1 240.391 2.064 20 0 BEADMP C[C@@H](Cc1ccsc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902464250 584613536 /nfs/dbraw/zinc/61/35/36/584613536.db2.gz AVMBYMXPPZRMDJ-FTYKPCCVSA-N 2 1 236.384 2.162 20 0 BEADMP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902467196 584613974 /nfs/dbraw/zinc/61/39/74/584613974.db2.gz MQGIKZVQXKDFLT-WRWGMCAJSA-N 2 1 242.432 2.389 20 0 BEADMP c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H]1[NH2+]3)C2 ZINC000902469638 584615331 /nfs/dbraw/zinc/61/53/31/584615331.db2.gz ZJYRYKHDEQEGSR-WCVJEAGWSA-N 2 1 242.366 2.026 20 0 BEADMP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902469041 584615667 /nfs/dbraw/zinc/61/56/67/584615667.db2.gz ODTILWIWIWNFGY-OBCWZRDOSA-N 2 1 248.345 2.239 20 0 BEADMP Cc1ncccc1CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000902513656 584623014 /nfs/dbraw/zinc/62/30/14/584623014.db2.gz NMCKHJBKNVCCCN-ZFWWWQNUSA-N 2 1 247.386 2.053 20 0 BEADMP CCCC[C@@H](COC)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902481862 584623921 /nfs/dbraw/zinc/62/39/21/584623921.db2.gz HLNTXJFTJCJTCG-KGLIPLIRSA-N 2 1 242.407 2.313 20 0 BEADMP CC1(C)[C@@H]([NH2+]C/C=C/Cl)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902520588 584631522 /nfs/dbraw/zinc/63/15/22/584631522.db2.gz PJFFCGSURMFGBR-YMJKQLDDSA-N 2 1 228.767 2.105 20 0 BEADMP CNc1ccccc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000902571681 584636098 /nfs/dbraw/zinc/63/60/98/584636098.db2.gz LSSUKEXGLAIPPH-GFCCVEGCSA-N 2 1 235.375 2.016 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902782856 584670700 /nfs/dbraw/zinc/67/07/00/584670700.db2.gz PFWCKJPATYNEQR-CHWSQXEVSA-N 2 1 233.359 2.360 20 0 BEADMP C[C@@H](C[NH2+][C@H](c1ccccn1)C1CC1)C[NH+](C)C ZINC000903174933 584732588 /nfs/dbraw/zinc/73/25/88/584732588.db2.gz PJNPXTLUDZJRIQ-WFASDCNBSA-N 2 1 247.386 2.320 20 0 BEADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000903255015 584739551 /nfs/dbraw/zinc/73/95/51/584739551.db2.gz VHNHKFNLTLWMHO-GUDWOMEESA-N 2 1 222.376 2.103 20 0 BEADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000903255015 584739552 /nfs/dbraw/zinc/73/95/52/584739552.db2.gz VHNHKFNLTLWMHO-GUDWOMEESA-N 2 1 222.376 2.103 20 0 BEADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000903255682 584739787 /nfs/dbraw/zinc/73/97/87/584739787.db2.gz ZEXTZWBFZORWJL-HQHBRHBDSA-N 2 1 248.414 2.493 20 0 BEADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000903255684 584739894 /nfs/dbraw/zinc/73/98/94/584739894.db2.gz ZEXTZWBFZORWJL-ORKIIUGYSA-N 2 1 248.414 2.493 20 0 BEADMP Cc1cc([C@H]2CCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)no1 ZINC000903430933 584761472 /nfs/dbraw/zinc/76/14/72/584761472.db2.gz JMFCNMPUVXMELC-MBNYWOFBSA-N 2 1 249.358 2.247 20 0 BEADMP C[NH2+]C1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000903422906 584764787 /nfs/dbraw/zinc/76/47/87/584764787.db2.gz MPBXTUSUNLNZCN-UHFFFAOYSA-N 2 1 243.354 2.352 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2c2ccccn2)C1 ZINC000903442214 584767395 /nfs/dbraw/zinc/76/73/95/584767395.db2.gz KXULJCGIHFUAFZ-GZBFAFLISA-N 2 1 245.370 2.346 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C/C=C\Cl)[C@@H]2CCC[C@H]21 ZINC000903443516 584768969 /nfs/dbraw/zinc/76/89/69/584768969.db2.gz HSZBAFZEITXKRQ-HJTBDDIRSA-N 2 1 228.767 2.201 20 0 BEADMP CC(F)(F)CCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000903464635 584772745 /nfs/dbraw/zinc/77/27/45/584772745.db2.gz UODLSJYIXPPXGS-ZYHUDNBSSA-N 2 1 232.318 2.235 20 0 BEADMP CC(F)(F)CCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000903464635 584772747 /nfs/dbraw/zinc/77/27/47/584772747.db2.gz UODLSJYIXPPXGS-ZYHUDNBSSA-N 2 1 232.318 2.235 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000903454646 584773470 /nfs/dbraw/zinc/77/34/70/584773470.db2.gz HFZWRSRNUIJINH-SNPRPXQTSA-N 2 1 245.370 2.074 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000903454647 584773568 /nfs/dbraw/zinc/77/35/68/584773568.db2.gz HFZWRSRNUIJINH-VHDGCEQUSA-N 2 1 245.370 2.074 20 0 BEADMP C[C@@H]1CCC(C)(C)[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903482322 584778527 /nfs/dbraw/zinc/77/85/27/584778527.db2.gz BRZYQWFYOQJJOA-UTUOFQBUSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@](C[NH3+])([NH2+]Cc1ccccc1CF)C1CC1 ZINC000903716935 584792075 /nfs/dbraw/zinc/79/20/75/584792075.db2.gz DUUJSISYSILQBU-CQSZACIVSA-N 2 1 236.334 2.373 20 0 BEADMP C[N@@H+](Cc1ccccc1CF)C1CC[NH2+]CC1 ZINC000903713344 584793610 /nfs/dbraw/zinc/79/36/10/584793610.db2.gz NSONXJUDOLVJNC-UHFFFAOYSA-N 2 1 236.334 2.340 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccccc2CF)C1 ZINC000903713158 584793847 /nfs/dbraw/zinc/79/38/47/584793847.db2.gz GKEMGSBPXDRWGG-GFCCVEGCSA-N 2 1 236.334 2.327 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC2CC(C)C2)C1 ZINC000903716264 584794450 /nfs/dbraw/zinc/79/44/50/584794450.db2.gz LESVNSHWTXHJCB-KPFVRQRISA-N 2 1 210.365 2.092 20 0 BEADMP CC1CC(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000903743088 584796481 /nfs/dbraw/zinc/79/64/81/584796481.db2.gz IEPBWOKAWSQDSP-PNKMZZHYSA-N 2 1 222.376 2.092 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2CF)C1 ZINC000903744717 584796942 /nfs/dbraw/zinc/79/69/42/584796942.db2.gz XMXQSWWXBFPOSJ-DGCLKSJQSA-N 2 1 236.334 2.325 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1CF ZINC000903767214 584797809 /nfs/dbraw/zinc/79/78/09/584797809.db2.gz FSIFYUYSBGDQMF-FZMZJTMJSA-N 2 1 236.334 2.468 20 0 BEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccccc1CF ZINC000903767216 584798069 /nfs/dbraw/zinc/79/80/69/584798069.db2.gz FSIFYUYSBGDQMF-SMDDNHRTSA-N 2 1 236.334 2.468 20 0 BEADMP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2ccno2)CCC1 ZINC000903815639 584800864 /nfs/dbraw/zinc/80/08/64/584800864.db2.gz SHVIHIRGABPXHY-CYBMUJFWSA-N 2 1 249.358 2.158 20 0 BEADMP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2ccno2)CCC1 ZINC000903815639 584800865 /nfs/dbraw/zinc/80/08/65/584800865.db2.gz SHVIHIRGABPXHY-CYBMUJFWSA-N 2 1 249.358 2.158 20 0 BEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC=C(Cl)Cl)C2 ZINC000903842372 584804497 /nfs/dbraw/zinc/80/44/97/584804497.db2.gz NDCGZOPGFPYMGV-CIUDSAMLSA-N 2 1 235.158 2.117 20 0 BEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC=C(Cl)Cl)C2 ZINC000903842372 584804498 /nfs/dbraw/zinc/80/44/98/584804498.db2.gz NDCGZOPGFPYMGV-CIUDSAMLSA-N 2 1 235.158 2.117 20 0 BEADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2C[C@H]1CCC(F)(F)C1 ZINC000903861805 584811658 /nfs/dbraw/zinc/81/16/58/584811658.db2.gz YFTSYNGDPOIKIS-SDDRHHMPSA-N 2 1 244.329 2.235 20 0 BEADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2C[C@H]1CCC(F)(F)C1 ZINC000903861805 584811659 /nfs/dbraw/zinc/81/16/59/584811659.db2.gz YFTSYNGDPOIKIS-SDDRHHMPSA-N 2 1 244.329 2.235 20 0 BEADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2C[C@@H]1CCC(F)(F)C1 ZINC000903861802 584811712 /nfs/dbraw/zinc/81/17/12/584811712.db2.gz YFTSYNGDPOIKIS-GRYCIOLGSA-N 2 1 244.329 2.235 20 0 BEADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2C[C@@H]1CCC(F)(F)C1 ZINC000903861802 584811713 /nfs/dbraw/zinc/81/17/13/584811713.db2.gz YFTSYNGDPOIKIS-GRYCIOLGSA-N 2 1 244.329 2.235 20 0 BEADMP CCC(CC)C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903860635 584812506 /nfs/dbraw/zinc/81/25/06/584812506.db2.gz SMHIZBBCJQWRMR-OLZOCXBDSA-N 2 1 210.365 2.236 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903860635 584812507 /nfs/dbraw/zinc/81/25/07/584812507.db2.gz SMHIZBBCJQWRMR-OLZOCXBDSA-N 2 1 210.365 2.236 20 0 BEADMP CC(C)=CCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869085 584813828 /nfs/dbraw/zinc/81/38/28/584813828.db2.gz BAKGQWUZPIHJAC-ZDUSSCGKSA-N 2 1 208.349 2.171 20 0 BEADMP CC(C)=CCC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869085 584813830 /nfs/dbraw/zinc/81/38/30/584813830.db2.gz BAKGQWUZPIHJAC-ZDUSSCGKSA-N 2 1 208.349 2.171 20 0 BEADMP FC1(F)CC[C@H](C[N@@H+]2CCC[C@]23CC[NH2+]C3)C1 ZINC000903872228 584815233 /nfs/dbraw/zinc/81/52/33/584815233.db2.gz XIIFHAMOOVGJLK-NWDGAFQWSA-N 2 1 244.329 2.250 20 0 BEADMP FC1(F)CC[C@H](C[N@H+]2CCC[C@]23CC[NH2+]C3)C1 ZINC000903872228 584815234 /nfs/dbraw/zinc/81/52/34/584815234.db2.gz XIIFHAMOOVGJLK-NWDGAFQWSA-N 2 1 244.329 2.250 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903872279 584815630 /nfs/dbraw/zinc/81/56/30/584815630.db2.gz YGSBZOAJFBGTFW-KBPBESRZSA-N 2 1 224.392 2.497 20 0 BEADMP CCCC(C)(C)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903900158 584820549 /nfs/dbraw/zinc/82/05/49/584820549.db2.gz ZVAKLQSAWKVQMS-QMMMGPOBSA-N 2 1 208.296 2.137 20 0 BEADMP C[C@@]1([NH2+]C[C@H]([NH3+])CC(F)F)CC=CCC1 ZINC000903929695 584824524 /nfs/dbraw/zinc/82/45/24/584824524.db2.gz JQHWVJAEHNDXAU-MWLCHTKSSA-N 2 1 218.291 2.057 20 0 BEADMP CC(C)([NH2+]CCC[NH3+])c1ccc(F)cc1F ZINC000903960027 584827834 /nfs/dbraw/zinc/82/78/34/584827834.db2.gz VINPGIQTPHYJLV-UHFFFAOYSA-N 2 1 228.286 2.138 20 0 BEADMP CC(C)([NH3+])CC[NH2+]Cc1c(F)cccc1F ZINC000903940933 584828694 /nfs/dbraw/zinc/82/86/94/584828694.db2.gz JELRRBNSBLZXGN-UHFFFAOYSA-N 2 1 228.286 2.182 20 0 BEADMP COc1ccc([C@H](C)[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904307099 584862336 /nfs/dbraw/zinc/86/23/36/584862336.db2.gz KXOABSFFAVZRFT-SGMGOOAPSA-N 2 1 248.370 2.425 20 0 BEADMP CCC[N@@H+](C)C[C@H]([NH3+])CCC(C)(C)C ZINC000904307709 584862806 /nfs/dbraw/zinc/86/28/06/584862806.db2.gz UIBROLKOMLRUPP-LLVKDONJSA-N 2 1 200.370 2.482 20 0 BEADMP CC[N@@H+](CCc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312480 584863497 /nfs/dbraw/zinc/86/34/97/584863497.db2.gz QYGYXLCXMUKNCY-GASCZTMLSA-N 2 1 232.371 2.288 20 0 BEADMP C[N@@H+](C[C@]1(C)CCC[NH2+]C1)C(C1CC1)C1CC1 ZINC000904313778 584863545 /nfs/dbraw/zinc/86/35/45/584863545.db2.gz JYVWPTJDBZFIAG-OAHLLOKOSA-N 2 1 236.403 2.497 20 0 BEADMP CCC[C@]1(COC)CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345132 584867720 /nfs/dbraw/zinc/86/77/20/584867720.db2.gz DAQXAJLRHORXLO-HZSPNIEDSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC12CCC2 ZINC000904345425 584868061 /nfs/dbraw/zinc/86/80/61/584868061.db2.gz DFOYSOGKAGCAIU-UPJWGTAASA-N 2 1 222.376 2.236 20 0 BEADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCC(C)(C)C1 ZINC000904350133 584868783 /nfs/dbraw/zinc/86/87/83/584868783.db2.gz GTAUSMMVISKSRO-GRYCIOLGSA-N 2 1 210.365 2.234 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC[C@H]2C2CCC2)C1 ZINC000904373652 584873978 /nfs/dbraw/zinc/87/39/78/584873978.db2.gz HTVULQONOSCDHU-YUTCNCBUSA-N 2 1 222.376 2.378 20 0 BEADMP C[C@@]1(C[N@H+]2CC[C@@]3(CC3(F)F)C2)CCC[NH2+]C1 ZINC000904376394 584876425 /nfs/dbraw/zinc/87/64/25/584876425.db2.gz QZXLEBZYUFDQND-VXGBXAGGSA-N 2 1 244.329 2.107 20 0 BEADMP C/C=C/C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904381650 584877501 /nfs/dbraw/zinc/87/75/01/584877501.db2.gz QRVGJGHZWPZDOR-LZLIAMDJSA-N 2 1 222.376 2.402 20 0 BEADMP C[N@H+](Cc1ccc2cc[nH]c2c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904385503 584877858 /nfs/dbraw/zinc/87/78/58/584877858.db2.gz XHDODLNXIOLJCZ-XBXGTLAGSA-N 2 1 243.354 2.337 20 0 BEADMP COc1ccccc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904411857 584879557 /nfs/dbraw/zinc/87/95/57/584879557.db2.gz OLYMYHISTWAKOF-OLZOCXBDSA-N 2 1 248.370 2.112 20 0 BEADMP CCOc1cccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])c1 ZINC000817977470 584994120 /nfs/dbraw/zinc/99/41/20/584994120.db2.gz KTRWHKKLJSNFTQ-TUAOUCFPSA-N 2 1 236.359 2.472 20 0 BEADMP CCCC[N@@H+](C)CC1CC[NH+](CCF)CC1 ZINC000759342316 585368984 /nfs/dbraw/zinc/36/89/84/585368984.db2.gz NUNAYUVNEOBJCQ-UHFFFAOYSA-N 2 1 230.371 2.400 20 0 BEADMP CCCC[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000769663941 585561359 /nfs/dbraw/zinc/56/13/59/585561359.db2.gz ZWRBHEANVHYNMM-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP CCCC[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000769663941 585561360 /nfs/dbraw/zinc/56/13/60/585561360.db2.gz ZWRBHEANVHYNMM-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP CCCC[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000769663941 585561361 /nfs/dbraw/zinc/56/13/61/585561361.db2.gz ZWRBHEANVHYNMM-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP CCCC[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000769663937 585561426 /nfs/dbraw/zinc/56/14/26/585561426.db2.gz ZWRBHEANVHYNMM-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP CCCC[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000769663937 585561427 /nfs/dbraw/zinc/56/14/27/585561427.db2.gz ZWRBHEANVHYNMM-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP CCCC[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000769663937 585561428 /nfs/dbraw/zinc/56/14/28/585561428.db2.gz ZWRBHEANVHYNMM-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H](C1CC1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000782182455 585810216 /nfs/dbraw/zinc/81/02/16/585810216.db2.gz HDFFEUIWFGNBND-OLZOCXBDSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000788471086 585925106 /nfs/dbraw/zinc/92/51/06/585925106.db2.gz UCTIPNKCMWTLIM-GFCCVEGCSA-N 2 1 210.365 2.060 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CCSC(C)(C)C2)CC1 ZINC000788483159 585925126 /nfs/dbraw/zinc/92/51/26/585925126.db2.gz SGUACKPGLLVNAT-UHFFFAOYSA-N 2 1 242.432 2.156 20 0 BEADMP CCCC[N@@H+](CC)CC1CC[NH+](C)CC1 ZINC000788470716 585925194 /nfs/dbraw/zinc/92/51/94/585925194.db2.gz MFTDMLPZEFOXIC-UHFFFAOYSA-N 2 1 212.381 2.450 20 0 BEADMP C[N@H+](CCC[NH+]1CCCC1)C[Si](C)(C)C ZINC000799174378 586165233 /nfs/dbraw/zinc/16/52/33/586165233.db2.gz GACAXCMVOUQTAG-UHFFFAOYSA-N 2 1 228.456 2.282 20 0 BEADMP C[N@@H+](CCC[NH+]1CCCC1)C[Si](C)(C)C ZINC000799174378 586165234 /nfs/dbraw/zinc/16/52/34/586165234.db2.gz GACAXCMVOUQTAG-UHFFFAOYSA-N 2 1 228.456 2.282 20 0 BEADMP C[NH+](C)CCC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000859560748 589045277 /nfs/dbraw/zinc/04/52/77/589045277.db2.gz AODPWVRZJMRPJJ-HNNXBMFYSA-N 2 1 247.386 2.464 20 0 BEADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000817964492 586853745 /nfs/dbraw/zinc/85/37/45/586853745.db2.gz ANFFFPLARWZGJU-CABCVRRESA-N 2 1 230.355 2.309 20 0 BEADMP CCOc1cccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000817965468 586854427 /nfs/dbraw/zinc/85/44/27/586854427.db2.gz QZLWXVHDBSOOSD-IAQYHMDHSA-N 2 1 248.370 2.473 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000817970191 586857513 /nfs/dbraw/zinc/85/75/13/586857513.db2.gz NTEQECCAWZOTIM-QPUJVOFHSA-N 2 1 224.735 2.264 20 0 BEADMP CC[NH2+][C@H](C)C[NH2+][C@H](C)CSC(C)(C)C ZINC000817972901 586859728 /nfs/dbraw/zinc/85/97/28/586859728.db2.gz PIPRWBVNSFBXET-GHMZBOCLSA-N 2 1 232.437 2.494 20 0 BEADMP CCCCCC[C@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC000818940852 586916891 /nfs/dbraw/zinc/91/68/91/586916891.db2.gz HPPVHZAWBVPSSQ-AWEZNQCLSA-N 2 1 242.407 2.002 20 0 BEADMP C[C@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000825332315 587315260 /nfs/dbraw/zinc/31/52/60/587315260.db2.gz VKWULOUSXDXRAZ-NWDGAFQWSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1CC[C@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC000825332315 587315262 /nfs/dbraw/zinc/31/52/62/587315262.db2.gz VKWULOUSXDXRAZ-NWDGAFQWSA-N 2 1 210.365 2.249 20 0 BEADMP Cc1ccncc1CCC[N@H+]1CCC2(COC2)C1 ZINC000827644081 587394159 /nfs/dbraw/zinc/39/41/59/587394159.db2.gz OQZSLZPLZNCYSI-UHFFFAOYSA-N 2 1 246.354 2.045 20 0 BEADMP C[N@@H+](CCCC[NH2+]C[C@@H]1CCC=CO1)C1CC1 ZINC000835064738 587780035 /nfs/dbraw/zinc/78/00/35/587780035.db2.gz YIYPKFNDHFSQJH-AWEZNQCLSA-N 2 1 238.375 2.143 20 0 BEADMP [NH3+]CCC[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000841011560 587935388 /nfs/dbraw/zinc/93/53/88/587935388.db2.gz RMOMTQLIBSUWCD-CYBMUJFWSA-N 2 1 240.297 2.451 20 0 BEADMP [NH3+]CCC[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000841011560 587935390 /nfs/dbraw/zinc/93/53/90/587935390.db2.gz RMOMTQLIBSUWCD-CYBMUJFWSA-N 2 1 240.297 2.451 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1cncc2ccccc21 ZINC000841072541 587944049 /nfs/dbraw/zinc/94/40/49/587944049.db2.gz PDZVGMJCCCQDGF-CYBMUJFWSA-N 2 1 229.327 2.062 20 0 BEADMP Cc1cc([C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)no1 ZINC000842471442 588028357 /nfs/dbraw/zinc/02/83/57/588028357.db2.gz BJRKOSCIOVSKER-JSGCOSHPSA-N 2 1 249.358 2.120 20 0 BEADMP C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]2)CC12CCC2 ZINC000843119134 588082685 /nfs/dbraw/zinc/08/26/85/588082685.db2.gz FOZAABCTHLBSMJ-OLZOCXBDSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]2)CC12CCC2 ZINC000843119134 588082687 /nfs/dbraw/zinc/08/26/87/588082687.db2.gz FOZAABCTHLBSMJ-OLZOCXBDSA-N 2 1 222.376 2.251 20 0 BEADMP C[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCc2ccccc2C1 ZINC000843358332 588103576 /nfs/dbraw/zinc/10/35/76/588103576.db2.gz KYGNBVCLBFKWFG-BBRMVZONSA-N 2 1 244.382 2.085 20 0 BEADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCc2ccccc2C1 ZINC000843358334 588103924 /nfs/dbraw/zinc/10/39/24/588103924.db2.gz KYGNBVCLBFKWFG-CZUORRHYSA-N 2 1 244.382 2.085 20 0 BEADMP CCOC[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846218833 588260693 /nfs/dbraw/zinc/26/06/93/588260693.db2.gz YCKUATSPGYRZRE-CQSZACIVSA-N 2 1 242.407 2.254 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000846219036 588260942 /nfs/dbraw/zinc/26/09/42/588260942.db2.gz DFPBIWTYDBQHEH-KBPBESRZSA-N 2 1 240.391 2.006 20 0 BEADMP [NH3+]C[C@H]([NH2+]C/C=C\Cl)C1CCCCC1 ZINC000846220353 588261072 /nfs/dbraw/zinc/26/10/72/588261072.db2.gz GWHCMGDNJJPMGY-IBHLPDHGSA-N 2 1 216.756 2.236 20 0 BEADMP Cc1cccc(NC(=[NH2+])NCC2([NH+](C)C)CC2)c1 ZINC000849043169 588448930 /nfs/dbraw/zinc/44/89/30/588448930.db2.gz FZGNGVCNHXAVAQ-UHFFFAOYSA-N 2 1 246.358 2.025 20 0 BEADMP CN1CC[C@@]2(C1)CCC[N@@H+](C[Si](C)(C)C)C2 ZINC000852108972 588664278 /nfs/dbraw/zinc/66/42/78/588664278.db2.gz RKDDYQVZKQAYFA-CYBMUJFWSA-N 2 1 240.467 2.282 20 0 BEADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[Si](C)(C)C)C2 ZINC000852108972 588664279 /nfs/dbraw/zinc/66/42/79/588664279.db2.gz RKDDYQVZKQAYFA-CYBMUJFWSA-N 2 1 240.467 2.282 20 0 BEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[Si](C)(C)C)C2 ZINC000852108972 588664280 /nfs/dbraw/zinc/66/42/80/588664280.db2.gz RKDDYQVZKQAYFA-CYBMUJFWSA-N 2 1 240.467 2.282 20 0 BEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[Si](C)(C)C)C2 ZINC000852108972 588664281 /nfs/dbraw/zinc/66/42/81/588664281.db2.gz RKDDYQVZKQAYFA-CYBMUJFWSA-N 2 1 240.467 2.282 20 0 BEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[Si](C)(C)C)C2 ZINC000852108972 588664282 /nfs/dbraw/zinc/66/42/82/588664282.db2.gz RKDDYQVZKQAYFA-CYBMUJFWSA-N 2 1 240.467 2.282 20 0 BEADMP C(C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)C1CCC1 ZINC000852750659 588700216 /nfs/dbraw/zinc/70/02/16/588700216.db2.gz BKDVCNDQFMNXKJ-CYBMUJFWSA-N 2 1 208.349 2.005 20 0 BEADMP C(C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)C1CCC1 ZINC000852750659 588700217 /nfs/dbraw/zinc/70/02/17/588700217.db2.gz BKDVCNDQFMNXKJ-CYBMUJFWSA-N 2 1 208.349 2.005 20 0 BEADMP CS[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000865733317 589459207 /nfs/dbraw/zinc/45/92/07/589459207.db2.gz HNKADOCNNQIIAA-SRVKXCTJSA-N 2 1 242.432 2.343 20 0 BEADMP CCc1cc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc[nH+]1 ZINC000866206195 589480130 /nfs/dbraw/zinc/48/01/30/589480130.db2.gz BYVAPYLYPSMFKE-IUODEOHRSA-N 2 1 245.370 2.174 20 0 BEADMP C(CC1CC1)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000866661640 589508893 /nfs/dbraw/zinc/50/88/93/589508893.db2.gz KFHYKOVYGLPYKD-UHFFFAOYSA-N 2 1 222.376 2.393 20 0 BEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000866665317 589509607 /nfs/dbraw/zinc/50/96/07/589509607.db2.gz BFYFCVDJUCDWQM-NWDGAFQWSA-N 2 1 242.407 2.155 20 0 BEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccccn2)C1 ZINC000866705932 589514425 /nfs/dbraw/zinc/51/44/25/589514425.db2.gz JTGYQAVPNUOTAS-HNNXBMFYSA-N 2 1 247.386 2.279 20 0 BEADMP C[NH2+]CCC[N@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000872146126 589885369 /nfs/dbraw/zinc/88/53/69/589885369.db2.gz GIIVXRYRJAOJME-INIZCTEOSA-N 2 1 244.382 2.186 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)C1CC1 ZINC000873236012 590004552 /nfs/dbraw/zinc/00/45/52/590004552.db2.gz VVGDQBFJZVXLSO-CMPLNLGQSA-N 2 1 210.365 2.153 20 0 BEADMP COC[C@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)C(C)C ZINC000873234206 590004920 /nfs/dbraw/zinc/00/49/20/590004920.db2.gz DIYJRHMECVLBDF-OLZOCXBDSA-N 2 1 242.407 2.025 20 0 BEADMP CSC(C)(C)CC[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000877154442 590293110 /nfs/dbraw/zinc/29/31/10/590293110.db2.gz QNZXETFSQLWTKX-GFCCVEGCSA-N 2 1 244.448 2.450 20 0 BEADMP CSC(C)(C)CC[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000877154442 590293111 /nfs/dbraw/zinc/29/31/11/590293111.db2.gz QNZXETFSQLWTKX-GFCCVEGCSA-N 2 1 244.448 2.450 20 0 BEADMP C[N@H+]1CC[C@H]2C[NH+](CC3(C)CCC3)CC[C@@H]21 ZINC000877738386 590404937 /nfs/dbraw/zinc/40/49/37/590404937.db2.gz BIZNZLSLIKUGBS-STQMWFEESA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](CC3(C)CCC3)CC[C@@H]21 ZINC000877738386 590404939 /nfs/dbraw/zinc/40/49/39/590404939.db2.gz BIZNZLSLIKUGBS-STQMWFEESA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](CC3(C)CCC3)CC[C@@H]21 ZINC000877738386 590404944 /nfs/dbraw/zinc/40/49/44/590404944.db2.gz BIZNZLSLIKUGBS-STQMWFEESA-N 2 1 222.376 2.203 20 0 BEADMP CC(C)CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877740164 590406867 /nfs/dbraw/zinc/40/68/67/590406867.db2.gz IUCZJLMTGKADSU-STQMWFEESA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877740164 590406869 /nfs/dbraw/zinc/40/68/69/590406869.db2.gz IUCZJLMTGKADSU-STQMWFEESA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877740164 590406871 /nfs/dbraw/zinc/40/68/71/590406871.db2.gz IUCZJLMTGKADSU-STQMWFEESA-N 2 1 210.365 2.059 20 0 BEADMP C=C/C=C\CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000878645265 590600329 /nfs/dbraw/zinc/60/03/29/590600329.db2.gz JEYUVGNBJYNHJE-WSNITJDQSA-N 2 1 220.360 2.146 20 0 BEADMP CCCC[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879123636 590699241 /nfs/dbraw/zinc/69/92/41/590699241.db2.gz HZZMGMPDSVRCHP-UHFFFAOYSA-N 2 1 242.407 2.077 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](OC)CC[C@H]1C ZINC000879326837 590748288 /nfs/dbraw/zinc/74/82/88/590748288.db2.gz TZABLFFIELICBA-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCC3CC3)CC[C@H]21 ZINC000879580309 590803290 /nfs/dbraw/zinc/80/32/90/590803290.db2.gz SILXUDCYNDOOGS-ZIAGYGMSSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CCCC3CC3)CC[C@H]21 ZINC000879580309 590803292 /nfs/dbraw/zinc/80/32/92/590803292.db2.gz SILXUDCYNDOOGS-ZIAGYGMSSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CCCC3CC3)CC[C@H]21 ZINC000879580309 590803294 /nfs/dbraw/zinc/80/32/94/590803294.db2.gz SILXUDCYNDOOGS-ZIAGYGMSSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCC3CC3)CC[C@H]21 ZINC000879580309 590803296 /nfs/dbraw/zinc/80/32/96/590803296.db2.gz SILXUDCYNDOOGS-ZIAGYGMSSA-N 2 1 222.376 2.203 20 0 BEADMP CC(C)=CCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580572 590820639 /nfs/dbraw/zinc/82/06/39/590820639.db2.gz UEJIFKYVDXAQQZ-ZIAGYGMSSA-N 2 1 222.376 2.369 20 0 BEADMP CC(C)=CCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580572 590820641 /nfs/dbraw/zinc/82/06/41/590820641.db2.gz UEJIFKYVDXAQQZ-ZIAGYGMSSA-N 2 1 222.376 2.369 20 0 BEADMP CC(C)=CCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580572 590820644 /nfs/dbraw/zinc/82/06/44/590820644.db2.gz UEJIFKYVDXAQQZ-ZIAGYGMSSA-N 2 1 222.376 2.369 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580572 590820645 /nfs/dbraw/zinc/82/06/45/590820645.db2.gz UEJIFKYVDXAQQZ-ZIAGYGMSSA-N 2 1 222.376 2.369 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CCCCCF)CC[C@@H]21 ZINC000879583355 590820911 /nfs/dbraw/zinc/82/09/11/590820911.db2.gz YBCLOSIKXRTLSP-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCCCF)CC[C@@H]21 ZINC000879583355 590820903 /nfs/dbraw/zinc/82/09/03/590820903.db2.gz YBCLOSIKXRTLSP-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CCCCCF)CC[C@@H]21 ZINC000879583355 590820906 /nfs/dbraw/zinc/82/09/06/590820906.db2.gz YBCLOSIKXRTLSP-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCCCF)CC[C@@H]21 ZINC000879583355 590820913 /nfs/dbraw/zinc/82/09/13/590820913.db2.gz YBCLOSIKXRTLSP-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCCCF)CC[C@H]21 ZINC000879583354 590822192 /nfs/dbraw/zinc/82/21/92/590822192.db2.gz YBCLOSIKXRTLSP-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CCCCCF)CC[C@H]21 ZINC000879583354 590822196 /nfs/dbraw/zinc/82/21/96/590822196.db2.gz YBCLOSIKXRTLSP-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CCCCCF)CC[C@H]21 ZINC000879583354 590822200 /nfs/dbraw/zinc/82/22/00/590822200.db2.gz YBCLOSIKXRTLSP-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCCCF)CC[C@H]21 ZINC000879583354 590822203 /nfs/dbraw/zinc/82/22/03/590822203.db2.gz YBCLOSIKXRTLSP-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](CF)C1 ZINC000880236885 590968005 /nfs/dbraw/zinc/96/80/05/590968005.db2.gz LGUOOBRXWSILCW-CYBMUJFWSA-N 2 1 239.338 2.263 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](CF)C1 ZINC000880236885 590968008 /nfs/dbraw/zinc/96/80/08/590968008.db2.gz LGUOOBRXWSILCW-CYBMUJFWSA-N 2 1 239.338 2.263 20 0 BEADMP C[C@H]1C[N@@H+](CC2CC2)CCN1c1cc[nH+]cc1 ZINC000880262965 590980912 /nfs/dbraw/zinc/98/09/12/590980912.db2.gz UPELAKCIZJIEFA-LBPRGKRZSA-N 2 1 231.343 2.002 20 0 BEADMP FC[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000880298721 590993199 /nfs/dbraw/zinc/99/31/99/590993199.db2.gz IWVDPYXUEMHTKQ-CYBMUJFWSA-N 2 1 228.355 2.154 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](CF)C1 ZINC000880297647 590993214 /nfs/dbraw/zinc/99/32/14/590993214.db2.gz QZJUYWWMZLKYQR-CYBMUJFWSA-N 2 1 239.338 2.263 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](CF)C1 ZINC000880297647 590993217 /nfs/dbraw/zinc/99/32/17/590993217.db2.gz QZJUYWWMZLKYQR-CYBMUJFWSA-N 2 1 239.338 2.263 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](CF)C1 ZINC000880298729 590993293 /nfs/dbraw/zinc/99/32/93/590993293.db2.gz JCLGAOYDOYBREA-GFCCVEGCSA-N 2 1 216.344 2.010 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C=CCC2)[C@@H](C)C1 ZINC000883247012 591588209 /nfs/dbraw/zinc/58/82/09/591588209.db2.gz XHBYMRZJMNKGCK-MJBXVCDLSA-N 2 1 222.376 2.273 20 0 BEADMP C[NH+]1CCC([NH2+]CC[C@H]2CCCC2(F)F)CC1 ZINC000883266806 591601194 /nfs/dbraw/zinc/60/11/94/591601194.db2.gz KCKUGJPPNLYYBY-LLVKDONJSA-N 2 1 246.345 2.496 20 0 BEADMP C=C/C=C\CC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000883267773 591601202 /nfs/dbraw/zinc/60/12/02/591601202.db2.gz POWNVQCDJDBCPQ-LAYDCRAFSA-N 2 1 222.376 2.439 20 0 BEADMP CCc1ccc(NCc2c[nH+]c(C)n2C)nc1 ZINC000883384000 591638836 /nfs/dbraw/zinc/63/88/36/591638836.db2.gz KCTXCHZCWITGMY-UHFFFAOYSA-N 2 1 230.315 2.298 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883416949 591652477 /nfs/dbraw/zinc/65/24/77/591652477.db2.gz JLQUAGUJSRAHJX-NWDGAFQWSA-N 2 1 246.345 2.353 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883416950 591653088 /nfs/dbraw/zinc/65/30/88/591653088.db2.gz JLQUAGUJSRAHJX-RYUDHWBXSA-N 2 1 246.345 2.353 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883416014 591653261 /nfs/dbraw/zinc/65/32/61/591653261.db2.gz JWNBXQTZFQLHBA-NEPJUHHUSA-N 2 1 246.345 2.483 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883416016 591653271 /nfs/dbraw/zinc/65/32/71/591653271.db2.gz JWNBXQTZFQLHBA-RYUDHWBXSA-N 2 1 246.345 2.483 20 0 BEADMP C=C/C=C/CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000883429361 591660535 /nfs/dbraw/zinc/66/05/35/591660535.db2.gz SOXWCNWDZCMVTE-RYIMYRPNSA-N 2 1 234.387 2.440 20 0 BEADMP C[C@@]1(c2ccccc2)CCC[N@H+]1CCC[NH3+] ZINC000883459540 591674720 /nfs/dbraw/zinc/67/47/20/591674720.db2.gz ALRGZYJKWRLORV-AWEZNQCLSA-N 2 1 218.344 2.346 20 0 BEADMP CCC[N@H+](C/C=C\Cl)C1CC[NH2+]CC1 ZINC000215164335 591929226 /nfs/dbraw/zinc/92/92/26/591929226.db2.gz VPODXHRJTQCVTK-UTCJRWHESA-N 2 1 216.756 2.203 20 0 BEADMP CCC[N@@H+](C/C=C\Cl)C1CC[NH2+]CC1 ZINC000215164335 591929229 /nfs/dbraw/zinc/92/92/29/591929229.db2.gz VPODXHRJTQCVTK-UTCJRWHESA-N 2 1 216.756 2.203 20 0 BEADMP C(CCC[N@H+]1C[C@@H]2C[C@@H]2C1)CC[NH+]1C[C@@H]2C[C@@H]2C1 ZINC000886344692 592213012 /nfs/dbraw/zinc/21/30/12/592213012.db2.gz JLZRAZCRVFIFNZ-GEEKYZPCSA-N 2 1 248.414 2.450 20 0 BEADMP CCC1([NH+]2CCC2)CC[NH+](CCCF)CC1 ZINC000886713305 592309211 /nfs/dbraw/zinc/30/92/11/592309211.db2.gz YTPORRLVBUNXOI-UHFFFAOYSA-N 2 1 228.355 2.296 20 0 BEADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccncc1 ZINC000075861534 592313434 /nfs/dbraw/zinc/31/34/34/592313434.db2.gz QKPKOOZXETWDJF-OAHLLOKOSA-N 2 1 247.386 2.388 20 0 BEADMP CC[NH+]1CCC([NH2+]C2(C3CC3)CCC2)CC1 ZINC000886824890 592349219 /nfs/dbraw/zinc/34/92/19/592349219.db2.gz IQAOBCCGHJAQHA-UHFFFAOYSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2(C3CC3)CCC2)CC[N@@H+]1C ZINC000886824895 592349334 /nfs/dbraw/zinc/34/93/34/592349334.db2.gz IVOOOJRNPFXOBV-YPMHNXCESA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2(C3CC3)CCC2)CC[N@H+]1C ZINC000886824895 592349339 /nfs/dbraw/zinc/34/93/39/592349339.db2.gz IVOOOJRNPFXOBV-YPMHNXCESA-N 2 1 222.376 2.391 20 0 BEADMP C(C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000886840203 592361242 /nfs/dbraw/zinc/36/12/42/592361242.db2.gz WJMSHOVGDLWKSO-ILXRZTDVSA-N 2 1 234.387 2.251 20 0 BEADMP C(C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000886840203 592361244 /nfs/dbraw/zinc/36/12/44/592361244.db2.gz WJMSHOVGDLWKSO-ILXRZTDVSA-N 2 1 234.387 2.251 20 0 BEADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C2 ZINC000886841409 592363514 /nfs/dbraw/zinc/36/35/14/592363514.db2.gz KNYZBHWIQPQYDY-CBBWQLFWSA-N 2 1 234.387 2.236 20 0 BEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C2 ZINC000886841410 592364060 /nfs/dbraw/zinc/36/40/60/592364060.db2.gz KNYZBHWIQPQYDY-KBXIAJHMSA-N 2 1 234.387 2.236 20 0 BEADMP C[C@H]1CC[N@@H+](CCC[NH3+])[C@@H]1c1ccccc1 ZINC000886857791 592369804 /nfs/dbraw/zinc/36/98/04/592369804.db2.gz ADBFLKNMYIMBQP-JSGCOSHPSA-N 2 1 218.344 2.418 20 0 BEADMP C[C@H]1CC[N@H+](CC[NH3+])[C@@H]1c1ccccc1 ZINC000886858384 592370218 /nfs/dbraw/zinc/37/02/18/592370218.db2.gz YRWINTXGRFPHCI-AAEUAGOBSA-N 2 1 204.317 2.028 20 0 BEADMP C[C@H]1CC[N@@H+](CC[NH3+])[C@@H]1c1ccccc1 ZINC000886858384 592370222 /nfs/dbraw/zinc/37/02/22/592370222.db2.gz YRWINTXGRFPHCI-AAEUAGOBSA-N 2 1 204.317 2.028 20 0 BEADMP CC(C)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865792 592373970 /nfs/dbraw/zinc/37/39/70/592373970.db2.gz UWKJFILVHOKFLL-CYBMUJFWSA-N 2 1 210.365 2.108 20 0 BEADMP CCSCC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886870341 592375214 /nfs/dbraw/zinc/37/52/14/592375214.db2.gz WMBVOCPCBCELKP-CYBMUJFWSA-N 2 1 242.432 2.205 20 0 BEADMP CC[C@@H](C)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874558 592376808 /nfs/dbraw/zinc/37/68/08/592376808.db2.gz QGGITXSBTYCGGS-OLZOCXBDSA-N 2 1 210.365 2.251 20 0 BEADMP CCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130509 592449384 /nfs/dbraw/zinc/44/93/84/592449384.db2.gz FRQWYKDCZUTZCX-GFCCVEGCSA-N 2 1 219.332 2.002 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCC2CCC2)[C@@H](C)C1 ZINC000222261986 592473339 /nfs/dbraw/zinc/47/33/39/592473339.db2.gz AQOKPWXPDOWZQA-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@@H+](CCCCCCC[NH3+])C[C@@H]1CCCOC1 ZINC000104198771 592604839 /nfs/dbraw/zinc/60/48/39/592604839.db2.gz SIYYOOCEHGFMMO-AWEZNQCLSA-N 2 1 242.407 2.254 20 0 BEADMP CC(C)CCC[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000380284523 993325856 /nfs/dbraw/zinc/32/58/56/993325856.db2.gz ZRFINZGOTPSJNS-LBPRGKRZSA-N 2 1 200.370 2.482 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000925712321 634412158 /nfs/dbraw/zinc/41/21/58/634412158.db2.gz OOZTZZFSUXTEKW-YFKTTZPYSA-N 2 1 248.773 2.421 20 0 BEADMP C[C@@H](c1ccncc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257696370 634467869 /nfs/dbraw/zinc/46/78/69/634467869.db2.gz KEMSOKTYPOIRMF-DZGCQCFKSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@@H](c1ccncc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257696370 634467871 /nfs/dbraw/zinc/46/78/71/634467871.db2.gz KEMSOKTYPOIRMF-DZGCQCFKSA-N 2 1 245.370 2.218 20 0 BEADMP c1ccc(CC[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000257714407 634477363 /nfs/dbraw/zinc/47/73/63/634477363.db2.gz UKDNTEQUVLSVRB-HNNXBMFYSA-N 2 1 230.355 2.057 20 0 BEADMP c1ccc(CC[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000257714407 634477366 /nfs/dbraw/zinc/47/73/66/634477366.db2.gz UKDNTEQUVLSVRB-HNNXBMFYSA-N 2 1 230.355 2.057 20 0 BEADMP C[C@@H]1[C@H](C)SCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000253081554 634478733 /nfs/dbraw/zinc/47/87/33/634478733.db2.gz WKCYGPCGWMNDGQ-FRRDWIJNSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000925733408 634580752 /nfs/dbraw/zinc/58/07/52/634580752.db2.gz IOJAWUNQCJVQOR-WCQYABFASA-N 2 1 222.376 2.297 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)CC(F)F ZINC000925734551 634585539 /nfs/dbraw/zinc/58/55/39/634585539.db2.gz SLIBLENGGMCROX-NXEZZACHSA-N 2 1 234.334 2.398 20 0 BEADMP C[C@@H]([NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1c[nH+]ccc1N ZINC000925821671 635400301 /nfs/dbraw/zinc/40/03/01/635400301.db2.gz HNOVZICWVQGNSS-XXUISHGZSA-N 2 1 231.343 2.189 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000083008654 631417477 /nfs/dbraw/zinc/41/74/77/631417477.db2.gz JKIIACLVIPOKPQ-AWEZNQCLSA-N 2 1 218.344 2.166 20 0 BEADMP CC(C)(C)[NH2+]CC[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000126160767 635656137 /nfs/dbraw/zinc/65/61/37/635656137.db2.gz AHAMWWWXUZHCEL-TXEJJXNPSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)(C)[NH2+]CC[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000126160767 635656143 /nfs/dbraw/zinc/65/61/43/635656143.db2.gz AHAMWWWXUZHCEL-TXEJJXNPSA-N 2 1 210.365 2.106 20 0 BEADMP COC(C)(C)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000234590595 631644205 /nfs/dbraw/zinc/64/42/05/631644205.db2.gz VCBNFWQPHNBVCZ-UHFFFAOYSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1cccc(NC2CCC([NH3+])CC2)[nH+]1 ZINC000051693642 631868758 /nfs/dbraw/zinc/86/87/58/631868758.db2.gz YTPFAMXPUSVOAK-UHFFFAOYSA-N 2 1 205.305 2.072 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H]1C ZINC000309175355 631923283 /nfs/dbraw/zinc/92/32/83/631923283.db2.gz MNTPQYDAEIMLRD-AVGNSLFASA-N 2 1 212.381 2.495 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H]1C ZINC000309175355 631923290 /nfs/dbraw/zinc/92/32/90/631923290.db2.gz MNTPQYDAEIMLRD-AVGNSLFASA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000309317432 631991798 /nfs/dbraw/zinc/99/17/98/631991798.db2.gz POQUPOPWKWYCKB-JWURUJNWSA-N 2 1 222.376 2.390 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000309317432 631991801 /nfs/dbraw/zinc/99/18/01/631991801.db2.gz POQUPOPWKWYCKB-JWURUJNWSA-N 2 1 222.376 2.390 20 0 BEADMP [NH3+]C[C@H]1CC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000156083321 632124045 /nfs/dbraw/zinc/12/40/45/632124045.db2.gz MRQPLSJGISGPMK-LLVKDONJSA-N 2 1 240.297 2.405 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000156083321 632124050 /nfs/dbraw/zinc/12/40/50/632124050.db2.gz MRQPLSJGISGPMK-LLVKDONJSA-N 2 1 240.297 2.405 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000309494670 632420448 /nfs/dbraw/zinc/42/04/48/632420448.db2.gz JTUQEPBBBSDWEN-MJBXVCDLSA-N 2 1 222.376 2.258 20 0 BEADMP C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H](CC[NH3+])C2)C1 ZINC000309480280 632421242 /nfs/dbraw/zinc/42/12/42/632421242.db2.gz WNQIBEFJYSKGLK-HZSPNIEDSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CCC2CCC2)CC[N@H+]1C ZINC000161867953 632439863 /nfs/dbraw/zinc/43/98/63/632439863.db2.gz NPOZMAIEMDPEAV-AAEUAGOBSA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000219756040 632567323 /nfs/dbraw/zinc/56/73/23/632567323.db2.gz XBYYMBDUUDYABM-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP CSC1CC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000926571716 632569018 /nfs/dbraw/zinc/56/90/18/632569018.db2.gz AUGJBMXUFGNBMT-PNESKVBLSA-N 2 1 242.432 2.202 20 0 BEADMP C[NH+](C)Cc1cnc(C[NH2+]C2CC=CC2)s1 ZINC000309673627 632640612 /nfs/dbraw/zinc/64/06/12/632640612.db2.gz WYGFHEMZEKIYHC-UHFFFAOYSA-N 2 1 237.372 2.013 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@H]1C ZINC000309175354 632664166 /nfs/dbraw/zinc/66/41/66/632664166.db2.gz MNTPQYDAEIMLRD-AGIUHOORSA-N 2 1 212.381 2.495 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@H]1C ZINC000309175354 632664168 /nfs/dbraw/zinc/66/41/68/632664168.db2.gz MNTPQYDAEIMLRD-AGIUHOORSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CC(C(F)F)C1 ZINC000310033814 632695643 /nfs/dbraw/zinc/69/56/43/632695643.db2.gz SFMCOECMYSZWSK-KPPDAEKUSA-N 2 1 234.334 2.350 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CC(C(F)F)C1 ZINC000310033814 632695658 /nfs/dbraw/zinc/69/56/58/632695658.db2.gz SFMCOECMYSZWSK-KPPDAEKUSA-N 2 1 234.334 2.350 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccs1 ZINC000924557917 632840616 /nfs/dbraw/zinc/84/06/16/632840616.db2.gz VOQZATVHXDQHRA-QYJAPNMZSA-N 2 1 236.384 2.178 20 0 BEADMP [NH3+][C@H]1C[C@@H]([NH2+]CCOCC2CC2)c2ccccc21 ZINC000236336502 632921585 /nfs/dbraw/zinc/92/15/85/632921585.db2.gz HTNDBBWQLMWTIN-LSDHHAIUSA-N 2 1 246.354 2.147 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H](SC)C2)CC1 ZINC000168390652 633142885 /nfs/dbraw/zinc/14/28/85/633142885.db2.gz USWRPNYHXSBONF-STQMWFEESA-N 2 1 242.432 2.344 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000309494667 633178603 /nfs/dbraw/zinc/17/86/03/633178603.db2.gz JTUQEPBBBSDWEN-HZSPNIEDSA-N 2 1 222.376 2.258 20 0 BEADMP C(C[N@H+]1CCC2(CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000304349938 635941531 /nfs/dbraw/zinc/94/15/31/635941531.db2.gz GIQALAPOGHJAQM-ZDUSSCGKSA-N 2 1 222.376 2.252 20 0 BEADMP C(C1CC[NH2+]CC1)[N@H+]1CCC2(CCCC2)C1 ZINC000178972748 636047621 /nfs/dbraw/zinc/04/76/21/636047621.db2.gz YNMMRXWXAJFDSJ-UHFFFAOYSA-N 2 1 222.376 2.252 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)s1 ZINC000328550512 633774278 /nfs/dbraw/zinc/77/42/78/633774278.db2.gz SJIOQYAINUHIIG-GOCOPAARSA-N 2 1 248.395 2.143 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC[C@H]1C ZINC000309828964 633788246 /nfs/dbraw/zinc/78/82/46/633788246.db2.gz XZNNYPLXNSLWAC-YPMHNXCESA-N 2 1 221.348 2.360 20 0 BEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCc1cccs1 ZINC000925510475 633849933 /nfs/dbraw/zinc/84/99/33/633849933.db2.gz VNNRRNHWQWVWKM-NSHDSACASA-N 2 1 224.373 2.021 20 0 BEADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925607833 634140381 /nfs/dbraw/zinc/14/03/81/634140381.db2.gz DNGRQXQRDVYSGT-RISCZKNCSA-N 2 1 248.370 2.053 20 0 BEADMP CC(C)[NH2+]C1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000193842617 634295655 /nfs/dbraw/zinc/29/56/55/634295655.db2.gz YSPQLKXGJYFPDZ-CQSZACIVSA-N 2 1 238.375 2.142 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000925695031 634340147 /nfs/dbraw/zinc/34/01/47/634340147.db2.gz VSGJTNPFKUAPRF-JSGCOSHPSA-N 2 1 247.386 2.089 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000221652133 635338063 /nfs/dbraw/zinc/33/80/63/635338063.db2.gz HAPWFINZTKCUBV-STQMWFEESA-N 2 1 212.381 2.339 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000310527392 636265306 /nfs/dbraw/zinc/26/53/06/636265306.db2.gz PBRSWLKYCIBWOR-CBBWQLFWSA-N 2 1 236.403 2.354 20 0 BEADMP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(C)o1 ZINC000163495017 636818121 /nfs/dbraw/zinc/81/81/21/636818121.db2.gz DIJNYVGYYHZOLW-CYBMUJFWSA-N 2 1 248.370 2.470 20 0 BEADMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(C)o1 ZINC000163495017 636818128 /nfs/dbraw/zinc/81/81/28/636818128.db2.gz DIJNYVGYYHZOLW-CYBMUJFWSA-N 2 1 248.370 2.470 20 0 BEADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000084384490 636875723 /nfs/dbraw/zinc/87/57/23/636875723.db2.gz FMLJZRITSJKSAH-CYBMUJFWSA-N 2 1 218.344 2.118 20 0 BEADMP COC(C)(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322642865 636876604 /nfs/dbraw/zinc/87/66/04/636876604.db2.gz YOZFQHHKILDFFI-YHWZYXNKSA-N 2 1 240.391 2.016 20 0 BEADMP COCC[C@@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866707719 636930717 /nfs/dbraw/zinc/93/07/17/636930717.db2.gz VSFVKUPGYMOCQR-OCCSQVGLSA-N 2 1 242.407 2.108 20 0 BEADMP CCC[C@@H](CC)[NH2+]C[C@@H](C[NH+](C)C)OCC ZINC000926957394 636971296 /nfs/dbraw/zinc/97/12/96/636971296.db2.gz AYPVVACTHMEEAH-OLZOCXBDSA-N 2 1 230.396 2.121 20 0 BEADMP CC1([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC(F)(F)C1 ZINC000873197964 636976794 /nfs/dbraw/zinc/97/67/94/636976794.db2.gz WXFHROSEPOFNTE-WDEREUQCSA-N 2 1 244.329 2.391 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCS1 ZINC000927030545 637001339 /nfs/dbraw/zinc/00/13/39/637001339.db2.gz IWGLORZXDJEENN-FDYHWXHSSA-N 2 1 242.432 2.343 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCS1 ZINC000927030545 637001341 /nfs/dbraw/zinc/00/13/41/637001341.db2.gz IWGLORZXDJEENN-FDYHWXHSSA-N 2 1 242.432 2.343 20 0 BEADMP CCO[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000042425547 637243740 /nfs/dbraw/zinc/24/37/40/637243740.db2.gz XZJGFXAHRFVFPD-ZDUSSCGKSA-N 2 1 228.380 2.006 20 0 BEADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)C1CC1 ZINC000902754510 637329935 /nfs/dbraw/zinc/32/99/35/637329935.db2.gz DXKMTPSQLBRCEQ-XGUBFFRZSA-N 2 1 236.403 2.495 20 0 BEADMP CC[C@@]1(C)CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903438079 637362534 /nfs/dbraw/zinc/36/25/34/637362534.db2.gz QOOQGYKBXWHNJM-RDBSUJKOSA-N 2 1 224.392 2.354 20 0 BEADMP CC(C)(C)OC[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903564549 637370467 /nfs/dbraw/zinc/37/04/67/637370467.db2.gz ZDBJLMSCYGFGPF-CHWSQXEVSA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)(C)OC[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903564549 637370463 /nfs/dbraw/zinc/37/04/63/637370463.db2.gz ZDBJLMSCYGFGPF-CHWSQXEVSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H](C[NH2+][C@H]1C[NH2+]CC1(C)C)c1ccccc1 ZINC000904464274 637409601 /nfs/dbraw/zinc/40/96/01/637409601.db2.gz XWLBQWPHCJFOMN-JSGCOSHPSA-N 2 1 232.371 2.378 20 0 BEADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)c1cncs1 ZINC000904469480 637423909 /nfs/dbraw/zinc/42/39/09/637423909.db2.gz NDFPJJLEOPLWPG-MXWKQRLJSA-N 2 1 239.388 2.324 20 0 BEADMP [NH3+]C1CC([NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000906510739 638183274 /nfs/dbraw/zinc/18/32/74/638183274.db2.gz UCKIAILVVJREOS-UHFFFAOYSA-N 2 1 228.698 2.058 20 0 BEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000906517546 638187304 /nfs/dbraw/zinc/18/73/04/638187304.db2.gz GVCDADAKKUOZHW-MGCOHNPYSA-N 2 1 228.698 2.058 20 0 BEADMP C[N@@H+]1CCCC[C@H]1CCO[NH+]=C(N)CC1CC1 ZINC000906500095 638195271 /nfs/dbraw/zinc/19/52/71/638195271.db2.gz LWMAOYVNMSAJDG-LBPRGKRZSA-N 2 1 239.363 2.159 20 0 BEADMP C[N@H+]1CCCC[C@H]1CCO[NH+]=C(N)CC1CC1 ZINC000906500095 638195272 /nfs/dbraw/zinc/19/52/72/638195272.db2.gz LWMAOYVNMSAJDG-LBPRGKRZSA-N 2 1 239.363 2.159 20 0 BEADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCC(C)(F)F)C2)C1 ZINC000930554886 639810529 /nfs/dbraw/zinc/81/05/29/639810529.db2.gz JKEZHEKOCIUNHX-CYBMUJFWSA-N 2 1 246.345 2.449 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCC(C)(F)F)C2)C1 ZINC000930554886 639810530 /nfs/dbraw/zinc/81/05/30/639810530.db2.gz JKEZHEKOCIUNHX-CYBMUJFWSA-N 2 1 246.345 2.449 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCC(C)(F)F)C2)C1 ZINC000930554886 639810531 /nfs/dbraw/zinc/81/05/31/639810531.db2.gz JKEZHEKOCIUNHX-CYBMUJFWSA-N 2 1 246.345 2.449 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000930558923 639811151 /nfs/dbraw/zinc/81/11/51/639811151.db2.gz QJOOYZYRRGGNHG-HZSPNIEDSA-N 2 1 222.376 2.060 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000930558923 639811152 /nfs/dbraw/zinc/81/11/52/639811152.db2.gz QJOOYZYRRGGNHG-HZSPNIEDSA-N 2 1 222.376 2.060 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000930558923 639811153 /nfs/dbraw/zinc/81/11/53/639811153.db2.gz QJOOYZYRRGGNHG-HZSPNIEDSA-N 2 1 222.376 2.060 20 0 BEADMP C[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)c1ccccc1 ZINC000931279462 640131727 /nfs/dbraw/zinc/13/17/27/640131727.db2.gz JOSMSAJCDKPOOD-OJLVUWQFSA-N 2 1 244.382 2.282 20 0 BEADMP C[C@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)c1ccccc1 ZINC000931279462 640131736 /nfs/dbraw/zinc/13/17/36/640131736.db2.gz JOSMSAJCDKPOOD-OJLVUWQFSA-N 2 1 244.382 2.282 20 0 BEADMP C=C/C=C\CC[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931317182 640155125 /nfs/dbraw/zinc/15/51/25/640155125.db2.gz NLACSIXOKUIDSP-SRLDXXQCSA-N 2 1 234.387 2.392 20 0 BEADMP C=C/C=C\CC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931317182 640155133 /nfs/dbraw/zinc/15/51/33/640155133.db2.gz NLACSIXOKUIDSP-SRLDXXQCSA-N 2 1 234.387 2.392 20 0 BEADMP C=C/C=C\CC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931317182 640155142 /nfs/dbraw/zinc/15/51/42/640155142.db2.gz NLACSIXOKUIDSP-SRLDXXQCSA-N 2 1 234.387 2.392 20 0 BEADMP C=C/C=C\CC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931317182 640155147 /nfs/dbraw/zinc/15/51/47/640155147.db2.gz NLACSIXOKUIDSP-SRLDXXQCSA-N 2 1 234.387 2.392 20 0 BEADMP C=C/C=C\CC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931317182 640155151 /nfs/dbraw/zinc/15/51/51/640155151.db2.gz NLACSIXOKUIDSP-SRLDXXQCSA-N 2 1 234.387 2.392 20 0 BEADMP CN1C[C@]2(C)C[N@@H+](CC3=CCCC3)C[C@]2(C)C1 ZINC000931318196 640156161 /nfs/dbraw/zinc/15/61/61/640156161.db2.gz SKECLPCYJSUJMG-GASCZTMLSA-N 2 1 234.387 2.370 20 0 BEADMP C[N@@H+]1C[C@]2(C)C[NH+](CC3=CCCC3)C[C@]2(C)C1 ZINC000931318196 640156166 /nfs/dbraw/zinc/15/61/66/640156166.db2.gz SKECLPCYJSUJMG-GASCZTMLSA-N 2 1 234.387 2.370 20 0 BEADMP C[N@H+]1C[C@]2(C)C[NH+](CC3=CCCC3)C[C@]2(C)C1 ZINC000931318196 640156173 /nfs/dbraw/zinc/15/61/73/640156173.db2.gz SKECLPCYJSUJMG-GASCZTMLSA-N 2 1 234.387 2.370 20 0 BEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C)oc2C)C1 ZINC000163620605 640195386 /nfs/dbraw/zinc/19/53/86/640195386.db2.gz AEVKGHVYBMBYOR-CYBMUJFWSA-N 2 1 236.359 2.328 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C)oc2C)C1 ZINC000163620605 640195391 /nfs/dbraw/zinc/19/53/91/640195391.db2.gz AEVKGHVYBMBYOR-CYBMUJFWSA-N 2 1 236.359 2.328 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CCC3CCC3)C[C@@H]2C1 ZINC000931442067 640200163 /nfs/dbraw/zinc/20/01/63/640200163.db2.gz SZZDAKHQYKGBMF-KGLIPLIRSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CCC3CCC3)C[C@@H]2C1 ZINC000931442067 640200167 /nfs/dbraw/zinc/20/01/67/640200167.db2.gz SZZDAKHQYKGBMF-KGLIPLIRSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC3CCC3)C[C@@H]2C1 ZINC000931442067 640200170 /nfs/dbraw/zinc/20/01/70/640200170.db2.gz SZZDAKHQYKGBMF-KGLIPLIRSA-N 2 1 222.376 2.060 20 0 BEADMP CC(C)C[C@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435860 640202253 /nfs/dbraw/zinc/20/22/53/640202253.db2.gz DYCKRVVAAYYIBG-MELADBBJSA-N 2 1 224.392 2.305 20 0 BEADMP CC(C)C[C@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931435860 640202256 /nfs/dbraw/zinc/20/22/56/640202256.db2.gz DYCKRVVAAYYIBG-MELADBBJSA-N 2 1 224.392 2.305 20 0 BEADMP CC(C)C[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931435860 640202260 /nfs/dbraw/zinc/20/22/60/640202260.db2.gz DYCKRVVAAYYIBG-MELADBBJSA-N 2 1 224.392 2.305 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC000931441413 640204824 /nfs/dbraw/zinc/20/48/24/640204824.db2.gz HQTCRPQVXYEJBX-JKJDWNRSSA-N 2 1 248.414 2.306 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC000931441413 640204831 /nfs/dbraw/zinc/20/48/31/640204831.db2.gz HQTCRPQVXYEJBX-JKJDWNRSSA-N 2 1 248.414 2.306 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC000931441413 640204845 /nfs/dbraw/zinc/20/48/45/640204845.db2.gz HQTCRPQVXYEJBX-JKJDWNRSSA-N 2 1 248.414 2.306 20 0 BEADMP C[C@H](c1ccccn1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931439926 640206645 /nfs/dbraw/zinc/20/66/45/640206645.db2.gz YNZAYMWZQSUWNM-HZSPNIEDSA-N 2 1 245.370 2.026 20 0 BEADMP C[C@H](c1ccccn1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931439926 640206647 /nfs/dbraw/zinc/20/66/47/640206647.db2.gz YNZAYMWZQSUWNM-HZSPNIEDSA-N 2 1 245.370 2.026 20 0 BEADMP C[C@H](c1ccncc1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931439985 640206975 /nfs/dbraw/zinc/20/69/75/640206975.db2.gz RKVDPYZZOPBGED-VHDGCEQUSA-N 2 1 245.370 2.026 20 0 BEADMP C[C@H](c1ccncc1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931439985 640206983 /nfs/dbraw/zinc/20/69/83/640206983.db2.gz RKVDPYZZOPBGED-VHDGCEQUSA-N 2 1 245.370 2.026 20 0 BEADMP C[N@H+]1CC[C@H]2CN(CCCC(C)(F)F)CC[C@H]21 ZINC000931545660 640268461 /nfs/dbraw/zinc/26/84/61/640268461.db2.gz GGMKZMFRSWBUER-NWDGAFQWSA-N 2 1 246.345 2.448 20 0 BEADMP C[N@@H+]1CC[C@H]2C[NH+](CCCC(C)(F)F)CC[C@H]21 ZINC000931545660 640268465 /nfs/dbraw/zinc/26/84/65/640268465.db2.gz GGMKZMFRSWBUER-NWDGAFQWSA-N 2 1 246.345 2.448 20 0 BEADMP C[N@H+]1CC[C@H]2C[NH+](CCCC(C)(F)F)CC[C@H]21 ZINC000931545660 640268468 /nfs/dbraw/zinc/26/84/68/640268468.db2.gz GGMKZMFRSWBUER-NWDGAFQWSA-N 2 1 246.345 2.448 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](CCCC(C)(F)F)CC[C@H]21 ZINC000931545660 640268472 /nfs/dbraw/zinc/26/84/72/640268472.db2.gz GGMKZMFRSWBUER-NWDGAFQWSA-N 2 1 246.345 2.448 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](CCCC(C)(F)F)CC[C@H]21 ZINC000931545660 640268477 /nfs/dbraw/zinc/26/84/77/640268477.db2.gz GGMKZMFRSWBUER-NWDGAFQWSA-N 2 1 246.345 2.448 20 0 BEADMP C[C@H](C1CC1)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000931683200 640312365 /nfs/dbraw/zinc/31/23/65/640312365.db2.gz HKVUHGNJNLWFCL-CHWSQXEVSA-N 2 1 245.370 2.391 20 0 BEADMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCC1CC1 ZINC000931720444 640341854 /nfs/dbraw/zinc/34/18/54/640341854.db2.gz XUFDHTYGPYOESY-UONOGXRCSA-N 2 1 222.376 2.345 20 0 BEADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCC1CC1 ZINC000931720444 640341863 /nfs/dbraw/zinc/34/18/63/640341863.db2.gz XUFDHTYGPYOESY-UONOGXRCSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCC1CC1 ZINC000931720444 640341869 /nfs/dbraw/zinc/34/18/69/640341869.db2.gz XUFDHTYGPYOESY-UONOGXRCSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCC1CC1 ZINC000931720444 640341878 /nfs/dbraw/zinc/34/18/78/640341878.db2.gz XUFDHTYGPYOESY-UONOGXRCSA-N 2 1 222.376 2.345 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000165418726 640574538 /nfs/dbraw/zinc/57/45/38/640574538.db2.gz HAPWFINZTKCUBV-QWHCGFSZSA-N 2 1 212.381 2.339 20 0 BEADMP CC(C)[C@@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000166308499 640627108 /nfs/dbraw/zinc/62/71/08/640627108.db2.gz CGIXYOLXWYMQEV-CYBMUJFWSA-N 2 1 212.381 2.483 20 0 BEADMP C[N@H+]1C[C@@H]2C[NH+](CCC(C)(C)C)C[C@]2(C)C1 ZINC000933731808 640753410 /nfs/dbraw/zinc/75/34/10/640753410.db2.gz HKTFYXMSAFGJJY-OCCSQVGLSA-N 2 1 224.392 2.306 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+](CCC(C)(C)C)C[C@]2(C)C1 ZINC000933731808 640753413 /nfs/dbraw/zinc/75/34/13/640753413.db2.gz HKTFYXMSAFGJJY-OCCSQVGLSA-N 2 1 224.392 2.306 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@]2(C)C1 ZINC000933731808 640753416 /nfs/dbraw/zinc/75/34/16/640753416.db2.gz HKTFYXMSAFGJJY-OCCSQVGLSA-N 2 1 224.392 2.306 20 0 BEADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C[C@]2(C)C1 ZINC000933735357 640757067 /nfs/dbraw/zinc/75/70/67/640757067.db2.gz WDCMZXOVJIETGR-LJIZCISZSA-N 2 1 248.414 2.306 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C[C@]2(C)C1 ZINC000933735357 640757071 /nfs/dbraw/zinc/75/70/71/640757071.db2.gz WDCMZXOVJIETGR-LJIZCISZSA-N 2 1 248.414 2.306 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C[C@]2(C)C1 ZINC000933735357 640757080 /nfs/dbraw/zinc/75/70/80/640757080.db2.gz WDCMZXOVJIETGR-LJIZCISZSA-N 2 1 248.414 2.306 20 0 BEADMP C[N@H+]1C[C@@H]2C[NH+](CC3CCCCC3)C[C@]2(C)C1 ZINC000933741744 640759735 /nfs/dbraw/zinc/75/97/35/640759735.db2.gz GMTWHMLDZNXKEQ-CABCVRRESA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+](CC3CCCCC3)C[C@]2(C)C1 ZINC000933741744 640759740 /nfs/dbraw/zinc/75/97/40/640759740.db2.gz GMTWHMLDZNXKEQ-CABCVRRESA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](CC3CCCCC3)C[C@]2(C)C1 ZINC000933741744 640759745 /nfs/dbraw/zinc/75/97/45/640759745.db2.gz GMTWHMLDZNXKEQ-CABCVRRESA-N 2 1 236.403 2.450 20 0 BEADMP C[N@H+]1C[C@@H]2C[NH+](CCC3CCCC3)C[C@]2(C)C1 ZINC000933740328 640759871 /nfs/dbraw/zinc/75/98/71/640759871.db2.gz JWFRWYJQOFPCDZ-CABCVRRESA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+](CCC3CCCC3)C[C@]2(C)C1 ZINC000933740328 640759879 /nfs/dbraw/zinc/75/98/79/640759879.db2.gz JWFRWYJQOFPCDZ-CABCVRRESA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](CCC3CCCC3)C[C@]2(C)C1 ZINC000933740328 640759886 /nfs/dbraw/zinc/75/98/86/640759886.db2.gz JWFRWYJQOFPCDZ-CABCVRRESA-N 2 1 236.403 2.450 20 0 BEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000227029880 640809732 /nfs/dbraw/zinc/80/97/32/640809732.db2.gz VUQMMBROUBKCLF-CHWSQXEVSA-N 2 1 218.344 2.418 20 0 BEADMP CCOc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227055191 640811379 /nfs/dbraw/zinc/81/13/79/640811379.db2.gz VPOQJSALLOSYPS-JSGCOSHPSA-N 2 1 248.370 2.254 20 0 BEADMP CCOc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227055191 640811383 /nfs/dbraw/zinc/81/13/83/640811383.db2.gz VPOQJSALLOSYPS-JSGCOSHPSA-N 2 1 248.370 2.254 20 0 BEADMP C(C[NH2+]C1CC1)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000227163053 640818308 /nfs/dbraw/zinc/81/83/08/640818308.db2.gz SAQRORBVPUHVOC-JSGCOSHPSA-N 2 1 222.376 2.393 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227536054 640839021 /nfs/dbraw/zinc/83/90/21/640839021.db2.gz ROVTWRBUJWSQQL-AAEUAGOBSA-N 2 1 212.381 2.339 20 0 BEADMP CSCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000228874309 640901422 /nfs/dbraw/zinc/90/14/22/640901422.db2.gz SLYIQRRSMKKALE-WODVXLOZSA-N 2 1 242.432 2.343 20 0 BEADMP C[C@H]1C[N@@H+](CCCCCCC[NH3+])CCCO1 ZINC000061934494 641007788 /nfs/dbraw/zinc/00/77/88/641007788.db2.gz JGSWNNUCLIBVQT-ZDUSSCGKSA-N 2 1 228.380 2.006 20 0 BEADMP CO[C@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000230314578 641047639 /nfs/dbraw/zinc/04/76/39/641047639.db2.gz JXEDVBUZGSBUSM-ZDUSSCGKSA-N 2 1 228.380 2.006 20 0 BEADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)C[Si](C)(C)C ZINC000172350631 641057085 /nfs/dbraw/zinc/05/70/85/641057085.db2.gz CDTMBZSEMFWZCL-LBPRGKRZSA-N 2 1 228.456 2.137 20 0 BEADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)C[Si](C)(C)C ZINC000172350631 641057088 /nfs/dbraw/zinc/05/70/88/641057088.db2.gz CDTMBZSEMFWZCL-LBPRGKRZSA-N 2 1 228.456 2.137 20 0 BEADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)C[Si](C)(C)C ZINC000172350631 641057090 /nfs/dbraw/zinc/05/70/90/641057090.db2.gz CDTMBZSEMFWZCL-LBPRGKRZSA-N 2 1 228.456 2.137 20 0 BEADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)C[Si](C)(C)C ZINC000172350631 641057093 /nfs/dbraw/zinc/05/70/93/641057093.db2.gz CDTMBZSEMFWZCL-LBPRGKRZSA-N 2 1 228.456 2.137 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H]2CCC[C@@H]21 ZINC000934337386 641129516 /nfs/dbraw/zinc/12/95/16/641129516.db2.gz PUTUZLDFYPJWLU-IHRRRGAJSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000934337386 641129521 /nfs/dbraw/zinc/12/95/21/641129521.db2.gz PUTUZLDFYPJWLU-IHRRRGAJSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000934337386 641129524 /nfs/dbraw/zinc/12/95/24/641129524.db2.gz PUTUZLDFYPJWLU-IHRRRGAJSA-N 2 1 222.376 2.345 20 0 BEADMP COc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000261588401 641452892 /nfs/dbraw/zinc/45/28/92/641452892.db2.gz SJIWOWGPVPNLHZ-SNVBAGLBSA-N 2 1 222.332 2.083 20 0 BEADMP CC[N@@H+](CCCCCC[NH3+])C[C@@H]1CCCO1 ZINC000042471365 641552311 /nfs/dbraw/zinc/55/23/11/641552311.db2.gz UZBKENYOERYMOC-ZDUSSCGKSA-N 2 1 228.380 2.006 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](CCc2cccc(F)c2)C1 ZINC000075173798 641747547 /nfs/dbraw/zinc/74/75/47/641747547.db2.gz HZAFFMRSPGZBGP-CYBMUJFWSA-N 2 1 236.334 2.039 20 0 BEADMP CC[C@@H](C)C[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC000093066491 642454842 /nfs/dbraw/zinc/45/48/42/642454842.db2.gz KBXRDTDIEWVEPK-OLZOCXBDSA-N 2 1 212.381 2.354 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2cccs2)C1 ZINC000069626981 642886104 /nfs/dbraw/zinc/88/61/04/642886104.db2.gz WXLONXVLPHPZOP-NWDGAFQWSA-N 2 1 238.400 2.350 20 0 BEADMP C[N@@H+](CCC[NH2+]C1CC1)CC1CCCC1 ZINC000082492324 643326681 /nfs/dbraw/zinc/32/66/81/643326681.db2.gz AATVMDMTQDKJFW-UHFFFAOYSA-N 2 1 210.365 2.251 20 0 BEADMP C[NH+]1CCC([NH2+]CC2(C)CCCC2)CC1 ZINC000082625270 643356044 /nfs/dbraw/zinc/35/60/44/643356044.db2.gz QMNRWXLALLAMJL-UHFFFAOYSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1C ZINC000085015633 643522506 /nfs/dbraw/zinc/52/25/06/643522506.db2.gz JDPFGPJVSKQTER-LPWJVIDDSA-N 2 1 210.365 2.234 20 0 BEADMP Cc1cc[nH+]c(N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000050164243 643621597 /nfs/dbraw/zinc/62/15/97/643621597.db2.gz VWPBSXGPIPXPGQ-NWDGAFQWSA-N 2 1 219.332 2.190 20 0 BEADMP Cc1cc[nH+]c(N[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000050164245 643622594 /nfs/dbraw/zinc/62/25/94/643622594.db2.gz VWPBSXGPIPXPGQ-VXGBXAGGSA-N 2 1 219.332 2.190 20 0 BEADMP C[NH2+]CCC[N@@H+](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000846222426 643650878 /nfs/dbraw/zinc/65/08/78/643650878.db2.gz OIEXAJXZUMXAEG-UONOGXRCSA-N 2 1 218.344 2.084 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c(C)c1 ZINC000050245202 643655792 /nfs/dbraw/zinc/65/57/92/643655792.db2.gz KCRPIEWMJVFHQU-ZDUSSCGKSA-N 2 1 218.344 2.084 20 0 BEADMP CSc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000050245420 643661590 /nfs/dbraw/zinc/66/15/90/643661590.db2.gz MNXUTDILRALDNX-GFCCVEGCSA-N 2 1 236.384 2.189 20 0 BEADMP C[N@@H+](CCc1cccs1)CC(C)(C)C[NH3+] ZINC000086441664 644136527 /nfs/dbraw/zinc/13/65/27/644136527.db2.gz YMXMMLGOVHXMAI-UHFFFAOYSA-N 2 1 226.389 2.207 20 0 BEADMP CCCCCC[C@H](O)C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000923282773 644317270 /nfs/dbraw/zinc/31/72/70/644317270.db2.gz XSFSMLKXOWFOLQ-KBPBESRZSA-N 2 1 242.407 2.131 20 0 BEADMP CCCCCC[C@H](O)C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000923282773 644317273 /nfs/dbraw/zinc/31/72/73/644317273.db2.gz XSFSMLKXOWFOLQ-KBPBESRZSA-N 2 1 242.407 2.131 20 0 BEADMP CC(C)CC[C@H](O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000923298990 644326251 /nfs/dbraw/zinc/32/62/51/644326251.db2.gz VWERRYRLOORYNW-UONOGXRCSA-N 2 1 244.423 2.089 20 0 BEADMP C[C@H](C1CC1)[N@@H+](CCC[NH2+]C1CC1)C1CC1 ZINC000923305249 644342068 /nfs/dbraw/zinc/34/20/68/644342068.db2.gz LOLBATYFJSXILX-LLVKDONJSA-N 2 1 222.376 2.391 20 0 BEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCc1cccc(F)c1 ZINC000923369385 644380637 /nfs/dbraw/zinc/38/06/37/644380637.db2.gz YHNCERQPDIFLEM-CYBMUJFWSA-N 2 1 238.350 2.331 20 0 BEADMP CCCCCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000923392205 644398155 /nfs/dbraw/zinc/39/81/55/644398155.db2.gz IIOZYAKZXCMRGU-RDBSUJKOSA-N 2 1 242.407 2.129 20 0 BEADMP Fc1cccc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000923397766 644404106 /nfs/dbraw/zinc/40/41/06/644404106.db2.gz DIIPJPSGUNQJOZ-CQSZACIVSA-N 2 1 248.345 2.242 20 0 BEADMP C[N@@H+](CCC[NH2+]C1CC1)C[C@@H]1CC1(C)C ZINC000923398518 644404853 /nfs/dbraw/zinc/40/48/53/644404853.db2.gz UXQVMMLZWPDKBU-NSHDSACASA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC2)C[C@H](C)C1(F)F ZINC000923397742 644405317 /nfs/dbraw/zinc/40/53/17/644405317.db2.gz GIKFAMSPMRHQIE-PHIMTYICSA-N 2 1 246.345 2.352 20 0 BEADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CC2)C[C@H](C)C1(F)F ZINC000923397742 644405320 /nfs/dbraw/zinc/40/53/20/644405320.db2.gz GIKFAMSPMRHQIE-PHIMTYICSA-N 2 1 246.345 2.352 20 0 BEADMP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923454320 644444078 /nfs/dbraw/zinc/44/40/78/644444078.db2.gz GOTHZYNNRPPINK-GZBLMMOJSA-N 2 1 234.387 2.106 20 0 BEADMP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923454320 644444142 /nfs/dbraw/zinc/44/41/42/644444142.db2.gz GOTHZYNNRPPINK-GZBLMMOJSA-N 2 1 234.387 2.106 20 0 BEADMP C=C/C=C/CC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923488346 644462236 /nfs/dbraw/zinc/46/22/36/644462236.db2.gz DSKXQBGNUUTHQK-QITAHTHBSA-N 2 1 208.349 2.035 20 0 BEADMP C[C@@H]1C[N@@H+](CCCC2CCC2)CC[C@@H]1C[NH3+] ZINC000923489760 644465855 /nfs/dbraw/zinc/46/58/55/644465855.db2.gz KQXDVSBYSVDLAU-TZMCWYRMSA-N 2 1 224.392 2.483 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923499602 644472635 /nfs/dbraw/zinc/47/26/35/644472635.db2.gz TWWMEEUONJVDHO-TZMCWYRMSA-N 2 1 248.370 2.112 20 0 BEADMP C[C@H]1C[N@@H+](CCc2cccs2)CC[C@H]1C[NH3+] ZINC000923497851 644473780 /nfs/dbraw/zinc/47/37/80/644473780.db2.gz MTEMXQLBVYMSRT-RYUDHWBXSA-N 2 1 238.400 2.207 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923498722 644473961 /nfs/dbraw/zinc/47/39/61/644473961.db2.gz JJDHUWYLLHNXIQ-UKRRQHHQSA-N 2 1 232.371 2.412 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923505096 644476227 /nfs/dbraw/zinc/47/62/27/644476227.db2.gz YEKFYGGMDFKZSR-ZFWWWQNUSA-N 2 1 232.371 2.412 20 0 BEADMP C[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517633 644479561 /nfs/dbraw/zinc/47/95/61/644479561.db2.gz GCOQTRXNNOHOSO-FPMFFAJLSA-N 2 1 248.345 2.428 20 0 BEADMP C(CC1CCCC1)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518514 644482257 /nfs/dbraw/zinc/48/22/57/644482257.db2.gz MCKSDXMAFQAWIU-LSDHHAIUSA-N 2 1 236.403 2.498 20 0 BEADMP [NH3+]CCCCCCC[N@H+]1CCCCC[C@H]1CO ZINC000923530424 644487890 /nfs/dbraw/zinc/48/78/90/644487890.db2.gz ISQRCYCTIMOCIT-AWEZNQCLSA-N 2 1 242.407 2.133 20 0 BEADMP C[N@@H+](CCOc1ccccc1)C1CCC([NH3+])CC1 ZINC000091847338 644642179 /nfs/dbraw/zinc/64/21/79/644642179.db2.gz VDAOIHXOSBVJJV-UHFFFAOYSA-N 2 1 248.370 2.267 20 0 BEADMP C[NH+](C)C1(C[NH2+]C2CC(C(F)F)C2)CCCC1 ZINC000769488454 644681561 /nfs/dbraw/zinc/68/15/61/644681561.db2.gz DYCLENWLEFINRR-UHFFFAOYSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1ccccn1 ZINC000093462546 644691416 /nfs/dbraw/zinc/69/14/16/644691416.db2.gz MVKFBWYUMQVBAA-FRRDWIJNSA-N 2 1 233.359 2.263 20 0 BEADMP Cc1ccc(OCC[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000094341896 644716220 /nfs/dbraw/zinc/71/62/20/644716220.db2.gz XKAZSVCGPVKIFB-HIFRSBDPSA-N 2 1 248.370 2.043 20 0 BEADMP [NH3+]C[C@@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000250534546 644761915 /nfs/dbraw/zinc/76/19/15/644761915.db2.gz NWZIHPNDOZRZIH-WFASDCNBSA-N 2 1 230.355 2.345 20 0 BEADMP C[C@@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251554184 644808929 /nfs/dbraw/zinc/80/89/29/644808929.db2.gz AAWUXXYWQSWPDH-RLAWYHOSSA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@@H]1C[N@@H+](CCc2cccs2)CC[C@H]1[NH3+] ZINC000251572966 644810732 /nfs/dbraw/zinc/81/07/32/644810732.db2.gz BYLXOVIVYIJYOQ-DGCLKSJQSA-N 2 1 238.400 2.350 20 0 BEADMP CC[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000251691232 644816271 /nfs/dbraw/zinc/81/62/71/644816271.db2.gz IJTWVYMJHXWYNI-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]1C[N@@H+](CCc2ccccc2)CC[C@H]1C[NH3+] ZINC000251855540 644828723 /nfs/dbraw/zinc/82/87/23/644828723.db2.gz RYAXDYAIASELGX-HIFRSBDPSA-N 2 1 232.371 2.146 20 0 BEADMP CC[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000251907038 644829888 /nfs/dbraw/zinc/82/98/88/644829888.db2.gz XKEBKRCVTQBFQV-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP CCCC[N@@H+](C)CCNC(=[NH2+])Nc1ccccc1 ZINC000304058279 644868699 /nfs/dbraw/zinc/86/86/99/644868699.db2.gz NGFLWVQSDWIDGA-UHFFFAOYSA-N 2 1 248.374 2.355 20 0 BEADMP CCC[C@@H](C)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000415135599 644886493 /nfs/dbraw/zinc/88/64/93/644886493.db2.gz GJNRDVJHXIPHDI-CHWSQXEVSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000252754390 644900242 /nfs/dbraw/zinc/90/02/42/644900242.db2.gz BBLMGAFLDVWLFC-ZOBORPQBSA-N 2 1 224.392 2.482 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000252787537 644906490 /nfs/dbraw/zinc/90/64/90/644906490.db2.gz BBEPVTJNTYGMKM-OLZOCXBDSA-N 2 1 242.432 2.204 20 0 BEADMP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)co1 ZINC000252982646 644929450 /nfs/dbraw/zinc/92/94/50/644929450.db2.gz XIUDNNALRBGVMI-BFHYXJOUSA-N 2 1 234.343 2.290 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H](CC)c1ccc2c(c1)CCO2 ZINC000817980449 644992685 /nfs/dbraw/zinc/99/26/85/644992685.db2.gz VCVIKZDAGPSJRH-KBPBESRZSA-N 2 1 248.370 2.400 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H](CC)c1ccc2c(c1)CCO2 ZINC000817980454 644994812 /nfs/dbraw/zinc/99/48/12/644994812.db2.gz VCVIKZDAGPSJRH-ZIAGYGMSSA-N 2 1 248.370 2.400 20 0 BEADMP C[NH+](C)C1CC[NH+](CCc2cccs2)CC1 ZINC000104946023 645255029 /nfs/dbraw/zinc/25/50/29/645255029.db2.gz UTZONHKRPOSYFW-UHFFFAOYSA-N 2 1 238.400 2.317 20 0 BEADMP CCCC[C@@H](C)[NH2+]C[C@H](C[NH+](C)C)OCC ZINC000926961628 645501344 /nfs/dbraw/zinc/50/13/44/645501344.db2.gz JTXXUQUPFFKDRP-CHWSQXEVSA-N 2 1 230.396 2.121 20 0 BEADMP CCO[C@@H](C[NH2+][C@H]1CCC(C)(C)C1)C[NH+](C)C ZINC000926963906 645501698 /nfs/dbraw/zinc/50/16/98/645501698.db2.gz VUANBVYXTFHPQG-STQMWFEESA-N 2 1 242.407 2.121 20 0 BEADMP CCO[C@@H](C[NH2+][C@@H]1CCC(C)(C)C1)C[NH+](C)C ZINC000926963904 645501834 /nfs/dbraw/zinc/50/18/34/645501834.db2.gz VUANBVYXTFHPQG-OLZOCXBDSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCCO2)CC[N@H+]1C ZINC000927019549 645517135 /nfs/dbraw/zinc/51/71/35/645517135.db2.gz FFHQLBRHPZKCRN-MCIONIFRSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C[C@]23C[C@H]2CCC3)CC[N@H+]1C ZINC000927120138 645555733 /nfs/dbraw/zinc/55/57/33/645555733.db2.gz SSAGLKPLSSTXRY-CRWXNKLISA-N 2 1 222.376 2.249 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C[C@]23C[C@H]2CCC3)CC[N@H+]1C ZINC000927120141 645555806 /nfs/dbraw/zinc/55/58/06/645555806.db2.gz SSAGLKPLSSTXRY-DGAVXFQQSA-N 2 1 222.376 2.249 20 0 BEADMP [NH3+]C[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC000011891291 645652318 /nfs/dbraw/zinc/65/23/18/645652318.db2.gz CADJNAXMJMAPQX-JTQLQIEISA-N 2 1 224.735 2.121 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC000011891291 645652328 /nfs/dbraw/zinc/65/23/28/645652328.db2.gz CADJNAXMJMAPQX-JTQLQIEISA-N 2 1 224.735 2.121 20 0 BEADMP CCCC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925493798 645718381 /nfs/dbraw/zinc/71/83/81/645718381.db2.gz LZIFZXZZUYEHAZ-AAEUAGOBSA-N 2 1 206.333 2.465 20 0 BEADMP CSC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925501315 645944609 /nfs/dbraw/zinc/94/46/09/645944609.db2.gz BYNNCKQPZXDWRL-GHMZBOCLSA-N 2 1 228.405 2.002 20 0 BEADMP CC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000924538033 646056608 /nfs/dbraw/zinc/05/66/08/646056608.db2.gz QZRGWGHCTFNZIQ-FUDCBSFHSA-N 2 1 240.391 2.016 20 0 BEADMP Cc1ccccc1CC[NH2+][C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000924560151 646068373 /nfs/dbraw/zinc/06/83/73/646068373.db2.gz LPGLNQFVGMFYQJ-HOTGVXAUSA-N 2 1 244.382 2.221 20 0 BEADMP Cc1ccccc1CC[NH2+][C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000924560151 646068379 /nfs/dbraw/zinc/06/83/79/646068379.db2.gz LPGLNQFVGMFYQJ-HOTGVXAUSA-N 2 1 244.382 2.221 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc(F)c1 ZINC000924610019 646076776 /nfs/dbraw/zinc/07/67/76/646076776.db2.gz OLBPRJYJFRQJTO-NNQSOWQGSA-N 2 1 248.345 2.256 20 0 BEADMP C[C@@H]1CC[C@@H](C)C1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000924646782 646083078 /nfs/dbraw/zinc/08/30/78/646083078.db2.gz HGBYFLNIJIGYAC-JHJVBQTASA-N 2 1 236.403 2.495 20 0 BEADMP CC[C@@H](C[NH2+]C1CC(SC)C1)[NH+]1CCCC1 ZINC000924640352 646083210 /nfs/dbraw/zinc/08/32/10/646083210.db2.gz WMDHXWDAJSRSOX-CPCZMJQVSA-N 2 1 242.432 2.344 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccsc1 ZINC000924665902 646085513 /nfs/dbraw/zinc/08/55/13/646085513.db2.gz PVKDLVWHWUFWCC-FUNVUKJBSA-N 2 1 236.384 2.178 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)Cc1ccccn1 ZINC000924955007 646141581 /nfs/dbraw/zinc/14/15/81/646141581.db2.gz MPZOCWADNKUKAA-KGLIPLIRSA-N 2 1 249.402 2.333 20 0 BEADMP CC1CC(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000929699106 646255729 /nfs/dbraw/zinc/25/57/29/646255729.db2.gz FKCHNSCKBIPQKD-MOKVOYLWSA-N 2 1 224.392 2.306 20 0 BEADMP CC1CC(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000929699107 646256681 /nfs/dbraw/zinc/25/66/81/646256681.db2.gz FKCHNSCKBIPQKD-ROKHWSDSSA-N 2 1 224.392 2.306 20 0 BEADMP CC1CC(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000929699107 646256688 /nfs/dbraw/zinc/25/66/88/646256688.db2.gz FKCHNSCKBIPQKD-ROKHWSDSSA-N 2 1 224.392 2.306 20 0 BEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1Cc2ccccc21 ZINC000925490780 646300163 /nfs/dbraw/zinc/30/01/63/646300163.db2.gz OVTRTVVBCCDVPG-OCCSQVGLSA-N 2 1 230.355 2.056 20 0 BEADMP CC1CC(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000929780357 646308710 /nfs/dbraw/zinc/30/87/10/646308710.db2.gz GAZXCJIXOUNLCP-GNRIBBGQSA-N 2 1 224.392 2.447 20 0 BEADMP CC1CC(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000929780357 646308714 /nfs/dbraw/zinc/30/87/14/646308714.db2.gz GAZXCJIXOUNLCP-GNRIBBGQSA-N 2 1 224.392 2.447 20 0 BEADMP CC1CC(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000929780357 646308717 /nfs/dbraw/zinc/30/87/17/646308717.db2.gz GAZXCJIXOUNLCP-GNRIBBGQSA-N 2 1 224.392 2.447 20 0 BEADMP CC1CC(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000929780357 646308720 /nfs/dbraw/zinc/30/87/20/646308720.db2.gz GAZXCJIXOUNLCP-GNRIBBGQSA-N 2 1 224.392 2.447 20 0 BEADMP C1CCC2(C1)[NH2+]CC[C@H]2[NH2+][C@H]1CCCSC1 ZINC000925532955 646319950 /nfs/dbraw/zinc/31/99/50/646319950.db2.gz ZNTOQADOADUONW-NWDGAFQWSA-N 2 1 240.416 2.146 20 0 BEADMP COCCCC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925560565 646335380 /nfs/dbraw/zinc/33/53/80/646335380.db2.gz ZMNGFUMBILEYAQ-JSGCOSHPSA-N 2 1 236.359 2.091 20 0 BEADMP C[C@@H]([NH3+])[C@H]([NH2+]CCC1CC1)c1ccccc1 ZINC000925572674 646340242 /nfs/dbraw/zinc/34/02/42/646340242.db2.gz KNWSHNVEVMCDAF-RISCZKNCSA-N 2 1 218.344 2.465 20 0 BEADMP CS[C@H](C)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925584044 646346733 /nfs/dbraw/zinc/34/67/33/646346733.db2.gz AMBGLMGFNNPOFC-MNOVXSKESA-N 2 1 228.405 2.002 20 0 BEADMP Cc1ccsc1CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925631181 646375809 /nfs/dbraw/zinc/37/58/09/646375809.db2.gz SZIPQXVAYMDARZ-LBPRGKRZSA-N 2 1 238.400 2.329 20 0 BEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCc1cccs1 ZINC000925630896 646376159 /nfs/dbraw/zinc/37/61/59/646376159.db2.gz SHJAFAHWXZQINV-GFCCVEGCSA-N 2 1 238.400 2.411 20 0 BEADMP CC[C@H](CSC)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925636924 646379730 /nfs/dbraw/zinc/37/97/30/646379730.db2.gz WBMMZTKPVNHKSK-MNOVXSKESA-N 2 1 228.405 2.002 20 0 BEADMP C1[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C12CCCC2 ZINC000925652698 646391443 /nfs/dbraw/zinc/39/14/43/646391443.db2.gz RXHVAAYHYUAPJX-RYUDHWBXSA-N 2 1 220.360 2.193 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000925656862 646393590 /nfs/dbraw/zinc/39/35/90/646393590.db2.gz QBEZWZBPIRYUCL-GARJFASQSA-N 2 1 232.318 2.152 20 0 BEADMP CC/C=C\C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925682166 646409327 /nfs/dbraw/zinc/40/93/27/646409327.db2.gz UJRVHLDYNJRTDX-RYBZSIHZSA-N 2 1 208.349 2.217 20 0 BEADMP CC(C)(C[NH2+][C@H]1CC[NH2+]C1(C)C)c1cccnc1 ZINC000925694456 646419714 /nfs/dbraw/zinc/41/97/14/646419714.db2.gz ULTOZNVIJIXHBC-ZDUSSCGKSA-N 2 1 247.386 2.089 20 0 BEADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ncc[nH]2)cc1 ZINC000925699429 646422870 /nfs/dbraw/zinc/42/28/70/646422870.db2.gz ONPSHLDSZTZPMJ-QWRGUYRKSA-N 2 1 244.342 2.280 20 0 BEADMP CC1(C)[C@@H](C[NH2+][C@H]2CC[NH2+]C2(C)C)C1(F)F ZINC000925704199 646426809 /nfs/dbraw/zinc/42/68/09/646426809.db2.gz CJOLHHNAQTZIID-BDAKNGLRSA-N 2 1 232.318 2.008 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1CCC(F)CC1 ZINC000925705195 646428482 /nfs/dbraw/zinc/42/84/82/646428482.db2.gz AFKPSNYUZBNXTC-IKWCTNDRSA-N 2 1 228.355 2.245 20 0 BEADMP C[C@@H]([NH3+])[C@H](NCCCCCC[NH3+])c1ccccc1 ZINC000925713405 646437924 /nfs/dbraw/zinc/43/79/24/646437924.db2.gz RVWBYZXSLGEPPO-HIFRSBDPSA-N 2 1 249.402 2.184 20 0 BEADMP C[C@@H]([NH3+])[C@H]([NH2+]CCCCCC[NH3+])c1ccccc1 ZINC000925713405 646437931 /nfs/dbraw/zinc/43/79/31/646437931.db2.gz RVWBYZXSLGEPPO-HIFRSBDPSA-N 3 1 249.402 2.184 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@]1(C)CC1(C)C ZINC000925733562 646452216 /nfs/dbraw/zinc/45/22/16/646452216.db2.gz JYWNLQWFOXRHRS-NQBHXWOUSA-N 2 1 210.365 2.010 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@]1(C)CC1(C)C ZINC000925733561 646452655 /nfs/dbraw/zinc/45/26/55/646452655.db2.gz JYWNLQWFOXRHRS-MDZLAQPJSA-N 2 1 210.365 2.010 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCC[C@@H]1C=CCC1 ZINC000925731886 646456604 /nfs/dbraw/zinc/45/66/04/646456604.db2.gz VVQLHXRADDBQAR-BFHYXJOUSA-N 2 1 222.376 2.463 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000925766990 646467965 /nfs/dbraw/zinc/46/79/65/646467965.db2.gz VVMXYDIAEFFGTG-QSLWVIQJSA-N 2 1 222.376 2.153 20 0 BEADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000925774065 646472667 /nfs/dbraw/zinc/47/26/67/646472667.db2.gz REUOIMGFXHXUII-YPMHNXCESA-N 2 1 249.358 2.159 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000925784089 646480641 /nfs/dbraw/zinc/48/06/41/646480641.db2.gz PLHUJDZAQMTXFV-DAXOMENPSA-N 2 1 244.382 2.205 20 0 BEADMP C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925787444 646483186 /nfs/dbraw/zinc/48/31/86/646483186.db2.gz SKWDOWSYRHFWQD-OUAUKWLOSA-N 2 1 230.421 2.104 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000925802496 646486797 /nfs/dbraw/zinc/48/67/97/646486797.db2.gz NFXGRBBWVABLHW-AHLTXXRQSA-N 2 1 222.376 2.010 20 0 BEADMP Fc1cccc(C2(C[NH2+][C@@H]3CC[NH2+]C3)CCC2)c1 ZINC000925832967 646502954 /nfs/dbraw/zinc/50/29/54/646502954.db2.gz PEVZGZTYZUTGPZ-CQSZACIVSA-N 2 1 248.345 2.199 20 0 BEADMP C[C@H]([NH2+]C[C@]12C[C@H]1CCC2)c1c[nH+]ccc1N ZINC000925881077 646530351 /nfs/dbraw/zinc/53/03/51/646530351.db2.gz QVCRVAXEVDOYHV-WDMOLILDSA-N 2 1 231.343 2.335 20 0 BEADMP [NH3+]CCCCCCC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000724813962 711616487 /nfs/dbraw/zinc/61/64/87/711616487.db2.gz CBDRMSNGIOQGCR-KGLIPLIRSA-N 2 1 240.391 2.006 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(C)CCCC1 ZINC000396644311 711702939 /nfs/dbraw/zinc/70/29/39/711702939.db2.gz BSSNEAKUSWDSJH-NWDGAFQWSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[NH2+][C@H]2C)C1 ZINC000396639699 711703067 /nfs/dbraw/zinc/70/30/67/711703067.db2.gz ASLQSMCBKMZZBS-VOAKCMCISA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000723780134 711730913 /nfs/dbraw/zinc/73/09/13/711730913.db2.gz PTEQQKUEBOMIKS-SYQHCUMBSA-N 2 1 224.392 2.210 20 0 BEADMP C[C@@H]1CCCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000703659606 712083093 /nfs/dbraw/zinc/08/30/93/712083093.db2.gz BAQDEUCIOQZFBR-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP CSC1CC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000706929184 712161460 /nfs/dbraw/zinc/16/14/60/712161460.db2.gz OTPLVKLXKORXCO-TYUFSLCMSA-N 2 1 240.416 2.097 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1CC(C)(C)CO1 ZINC000710763708 712256633 /nfs/dbraw/zinc/25/66/33/712256633.db2.gz AHSFTEHKTGNAOY-ZDUSSCGKSA-N 2 1 242.407 2.252 20 0 BEADMP CC[C@H]1CCC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000379783115 712398724 /nfs/dbraw/zinc/39/87/24/712398724.db2.gz GUGLZUIIEOBDGJ-VHSXEESVSA-N 2 1 220.307 2.091 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CCC(C)(C)CO1 ZINC000713583874 712466136 /nfs/dbraw/zinc/46/61/36/712466136.db2.gz BITKUTMHQNPWJR-UPJWGTAASA-N 2 1 240.391 2.003 20 0 BEADMP C=C/C=C\CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000713731292 712470711 /nfs/dbraw/zinc/47/07/11/712470711.db2.gz FDRSGQFQADQSIX-CEMVGMONSA-N 2 1 220.360 2.334 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@H]2CCCC(C)(C)O2)CC1 ZINC000714319670 712481504 /nfs/dbraw/zinc/48/15/04/712481504.db2.gz BBDOXYVACUTIRD-CYBMUJFWSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1cccc([C@@H](C)[N@@H+](C)C[C@@H](C)[NH3+])c1 ZINC000379828461 712615059 /nfs/dbraw/zinc/61/50/59/712615059.db2.gz YFUCUTXYNNWMBK-VXGBXAGGSA-N 2 1 206.333 2.335 20 0 BEADMP Cc1cccc([C@@H](C)[N@H+](C)C[C@@H](C)[NH3+])c1 ZINC000379828461 712615060 /nfs/dbraw/zinc/61/50/60/712615060.db2.gz YFUCUTXYNNWMBK-VXGBXAGGSA-N 2 1 206.333 2.335 20 0 BEADMP CC[C@@H](C)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037485293 712650738 /nfs/dbraw/zinc/65/07/38/712650738.db2.gz GBTOSBZJTUUTDM-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)C[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037485328 712650776 /nfs/dbraw/zinc/65/07/76/712650776.db2.gz LVIOGPRFNAMSPW-STQMWFEESA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000037485283 712650939 /nfs/dbraw/zinc/65/09/39/712650939.db2.gz PMMGYGRRPBRKBX-OCCSQVGLSA-N 2 1 224.392 2.495 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(C2CC2)CCC1 ZINC000717834469 712686589 /nfs/dbraw/zinc/68/65/89/712686589.db2.gz AWKYOMLHJQWUCX-CYBMUJFWSA-N 2 1 222.376 2.393 20 0 BEADMP CCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000389566979 712689537 /nfs/dbraw/zinc/68/95/37/712689537.db2.gz AINDVNALZLHTGO-STQMWFEESA-N 2 1 210.365 2.251 20 0 BEADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1F ZINC000038041485 712801378 /nfs/dbraw/zinc/80/13/78/712801378.db2.gz WYTVWNPGILJWHA-JTQLQIEISA-N 2 1 222.307 2.228 20 0 BEADMP C(CC1CCC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000381064946 710600787 /nfs/dbraw/zinc/60/07/87/710600787.db2.gz MMFOMFYJEPZXAV-UHFFFAOYSA-N 2 1 222.376 2.393 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000723075312 710725242 /nfs/dbraw/zinc/72/52/42/710725242.db2.gz APBFFVOJZHZJCN-UPJWGTAASA-N 2 1 210.365 2.093 20 0 BEADMP C[N@@H+](CCC[NH3+])C[C@H]1CC2CCC1CC2 ZINC000382055188 710770128 /nfs/dbraw/zinc/77/01/28/710770128.db2.gz GRJXINBOFFJJAH-WXRRBKDZSA-N 2 1 210.365 2.093 20 0 BEADMP CC(C)C(C)(C)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396702597 710907583 /nfs/dbraw/zinc/90/75/83/710907583.db2.gz NKUNETCQWUAKTB-VXGBXAGGSA-N 2 1 212.381 2.399 20 0 BEADMP C[C@H](C[N@H+]1CC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000385182921 711006615 /nfs/dbraw/zinc/00/66/15/711006615.db2.gz PIJJKLZRHSZHHV-KGLIPLIRSA-N 2 1 232.371 2.461 20 0 BEADMP C[C@@H]1CCSCC[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000385583959 711014773 /nfs/dbraw/zinc/01/47/73/711014773.db2.gz XYKQVEMFCLBLRE-CHWSQXEVSA-N 2 1 242.432 2.204 20 0 BEADMP C[NH2+]C1CC[NH+](CCOc2ccc(C)cc2)CC1 ZINC000386734031 711035796 /nfs/dbraw/zinc/03/57/96/711035796.db2.gz BJROLTHQHGWYBO-UHFFFAOYSA-N 2 1 248.370 2.058 20 0 BEADMP CC(C)(C)CCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000380710497 712902664 /nfs/dbraw/zinc/90/26/64/712902664.db2.gz MXWMNSYPJAHOHP-QWHCGFSZSA-N 2 1 224.392 2.354 20 0 BEADMP [NH3+][C@@H](C[NH2+]C1CCCCCC1)CC(F)F ZINC000389744030 711088124 /nfs/dbraw/zinc/08/81/24/711088124.db2.gz WSVDHROFQFUWRO-SECBINFHSA-N 2 1 220.307 2.281 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CC[C@H]1C ZINC000389869000 711093927 /nfs/dbraw/zinc/09/39/27/711093927.db2.gz IIDFIMMUBBCNDG-AGIUHOORSA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CC[C@H]1C ZINC000389869000 711093931 /nfs/dbraw/zinc/09/39/31/711093931.db2.gz IIDFIMMUBBCNDG-AGIUHOORSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000390434848 711115932 /nfs/dbraw/zinc/11/59/32/711115932.db2.gz RMOYKUYMULZTEA-ITGHMWBKSA-N 2 1 224.392 2.493 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000390434848 711115937 /nfs/dbraw/zinc/11/59/37/711115937.db2.gz RMOYKUYMULZTEA-ITGHMWBKSA-N 2 1 224.392 2.493 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000394125282 711184812 /nfs/dbraw/zinc/18/48/12/711184812.db2.gz BJFOHZGEMGXAJR-RFBLXINOSA-N 2 1 242.366 2.081 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1cccs1 ZINC000396548849 711353079 /nfs/dbraw/zinc/35/30/79/711353079.db2.gz DDXSYJKROMJPHO-ZYHUDNBSSA-N 2 1 224.373 2.021 20 0 BEADMP CSCCCCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396576281 711353821 /nfs/dbraw/zinc/35/38/21/711353821.db2.gz NCGAJQVFNDPHGC-VXGBXAGGSA-N 2 1 230.421 2.250 20 0 BEADMP CCC1(C[NH2+][C@H]2CCC[NH2+][C@H]2C)CCC1 ZINC000396638440 711355366 /nfs/dbraw/zinc/35/53/66/711355366.db2.gz AMJMHTPWXQKBLL-RYUDHWBXSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000396726034 711369171 /nfs/dbraw/zinc/36/91/71/711369171.db2.gz WDNQANXTSQJNOB-HZMBPMFUSA-N 2 1 222.376 2.153 20 0 BEADMP CC[C@]1(C)CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000399452879 711430995 /nfs/dbraw/zinc/43/09/95/711430995.db2.gz IVVJIJRYMFYLDA-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP C[N@H+](Cc1cncc2ccccc21)C1CC([NH3+])C1 ZINC000384988513 711002671 /nfs/dbraw/zinc/00/26/71/711002671.db2.gz KIQXYAYTRRUKNK-UHFFFAOYSA-N 2 1 241.338 2.156 20 0 BEADMP C[N@@H+](Cc1cncc2ccccc21)C1CC([NH3+])C1 ZINC000384988513 711002672 /nfs/dbraw/zinc/00/26/72/711002672.db2.gz KIQXYAYTRRUKNK-UHFFFAOYSA-N 2 1 241.338 2.156 20 0 BEADMP Cc1cccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c1 ZINC000385556003 711014178 /nfs/dbraw/zinc/01/41/78/711014178.db2.gz YHHOCVURTVCOFY-ZVDSWSACSA-N 2 1 242.366 2.081 20 0 BEADMP CCC[N@H+](CCCCCC[NH3+])CC(F)F ZINC000385943904 711021231 /nfs/dbraw/zinc/02/12/31/711021231.db2.gz DJEXXFXCUFXIEZ-UHFFFAOYSA-N 2 1 222.323 2.483 20 0 BEADMP CCC[N@@H+](CCCCCC[NH3+])CC(F)F ZINC000385943904 711021234 /nfs/dbraw/zinc/02/12/34/711021234.db2.gz DJEXXFXCUFXIEZ-UHFFFAOYSA-N 2 1 222.323 2.483 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CC3CCC2CC3)C1 ZINC000394214669 711188999 /nfs/dbraw/zinc/18/89/99/711188999.db2.gz CZJMYWCOHGBGQE-SHWKFHJASA-N 2 1 236.403 2.497 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000394214666 711189015 /nfs/dbraw/zinc/18/90/15/711189015.db2.gz CZJMYWCOHGBGQE-HXSCFSKGSA-N 2 1 236.403 2.497 20 0 BEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCCC1CC1 ZINC000394502773 711194118 /nfs/dbraw/zinc/19/41/18/711194118.db2.gz RPYVCTHWZWBEFJ-ZDUSSCGKSA-N 2 1 210.365 2.380 20 0 BEADMP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000396716187 711365859 /nfs/dbraw/zinc/36/58/59/711365859.db2.gz OLQONOCSKKREDJ-WUHRBBMRSA-N 2 1 242.432 2.391 20 0 BEADMP CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)C1 ZINC000396716186 711365884 /nfs/dbraw/zinc/36/58/84/711365884.db2.gz OLQONOCSKKREDJ-RVMXOQNASA-N 2 1 242.432 2.391 20 0 BEADMP C[C@@H](CC[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000723481190 711512659 /nfs/dbraw/zinc/51/26/59/711512659.db2.gz ZQXCVGMYELTCKF-GZBFAFLISA-N 2 1 232.371 2.459 20 0 BEADMP C[C@@H](CC[N@H+]1C[C@@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000723481190 711512661 /nfs/dbraw/zinc/51/26/61/711512661.db2.gz ZQXCVGMYELTCKF-GZBFAFLISA-N 2 1 232.371 2.459 20 0 BEADMP Cc1cccc(OCC[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000723670433 711533387 /nfs/dbraw/zinc/53/33/87/711533387.db2.gz RKUUXDHUZOABCT-AWEZNQCLSA-N 2 1 248.370 2.045 20 0 BEADMP Cc1ccc(F)c(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000723668966 711533533 /nfs/dbraw/zinc/53/35/33/711533533.db2.gz DVWWLQYHJPLXIA-GFCCVEGCSA-N 2 1 236.334 2.305 20 0 BEADMP C[C@@H]1C[C@H](C)CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000723779264 711536772 /nfs/dbraw/zinc/53/67/72/711536772.db2.gz ICMKNACEUUGZLW-MGPQQGTHSA-N 2 1 224.392 2.354 20 0 BEADMP COC[C@@H](C[N@H+]1CCCC[C@@H]1CC[NH3+])C(C)C ZINC000721959270 711694971 /nfs/dbraw/zinc/69/49/71/711694971.db2.gz HGMRSTZDTFIJAJ-ZIAGYGMSSA-N 2 1 242.407 2.108 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000723654835 711730401 /nfs/dbraw/zinc/73/04/01/711730401.db2.gz IKNBHNRUNIMTEZ-YVECIDJPSA-N 2 1 210.365 2.282 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000125556724 711794333 /nfs/dbraw/zinc/79/43/33/711794333.db2.gz MQZSIDKDDGFMJU-CQSZACIVSA-N 2 1 232.371 2.474 20 0 BEADMP Cc1ccsc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229065729 711837269 /nfs/dbraw/zinc/83/72/69/711837269.db2.gz DSFLDCQYYBKWSA-JQWIXIFHSA-N 2 1 238.400 2.473 20 0 BEADMP C1CC1[NH+]1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000061587991 711839064 /nfs/dbraw/zinc/83/90/64/711839064.db2.gz IHZOQYDGNLOJEI-LBPRGKRZSA-N 2 1 240.416 2.098 20 0 BEADMP COC[C@H](C[N@@H+](C)CC[C@H]([NH3+])C(C)C)C(C)C ZINC000721959939 711948472 /nfs/dbraw/zinc/94/84/72/711948472.db2.gz IVTUIRIOILTHJF-KBPBESRZSA-N 2 1 244.423 2.210 20 0 BEADMP Cc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cn1 ZINC000700816708 712007768 /nfs/dbraw/zinc/00/77/68/712007768.db2.gz MUKNSLRXMKRPAY-OAHLLOKOSA-N 2 1 247.386 2.212 20 0 BEADMP Cc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cn1 ZINC000700816708 712007772 /nfs/dbraw/zinc/00/77/72/712007772.db2.gz MUKNSLRXMKRPAY-OAHLLOKOSA-N 2 1 247.386 2.212 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1(Cl)CC1 ZINC000702253503 712041872 /nfs/dbraw/zinc/04/18/72/712041872.db2.gz AEKLUQZNDFZDEC-QWRGUYRKSA-N 2 1 230.783 2.078 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC2(CC2)CC1 ZINC000702486291 712052975 /nfs/dbraw/zinc/05/29/75/712052975.db2.gz MREDBLUHTHDNLP-OLZOCXBDSA-N 2 1 222.376 2.108 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCCC12CC2 ZINC000706297741 712143757 /nfs/dbraw/zinc/14/37/57/712143757.db2.gz LVDUEGJTAVVGRI-AVGNSLFASA-N 2 1 222.376 2.297 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCCC12CC2 ZINC000706916710 712158181 /nfs/dbraw/zinc/15/81/81/712158181.db2.gz JKHPRCIGUVPUQA-TUAOUCFPSA-N 2 1 208.349 2.049 20 0 BEADMP CSC1CC([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000706918590 712158387 /nfs/dbraw/zinc/15/83/87/712158387.db2.gz QCYPYLIJTHDWNN-UHFFFAOYSA-N 2 1 230.421 2.200 20 0 BEADMP CC[N@@H+](C[C@]1(C)CCC[NH2+]C1)C1CCC1 ZINC000706892300 712159475 /nfs/dbraw/zinc/15/94/75/712159475.db2.gz APIJSGKVFJJUJP-CYBMUJFWSA-N 2 1 210.365 2.251 20 0 BEADMP CC[C@@H](CC(F)F)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708112084 712182125 /nfs/dbraw/zinc/18/21/25/712182125.db2.gz NBLOHWQOODGQFJ-OUAUKWLOSA-N 2 1 234.334 2.194 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@H]1CC(C)(C)CO1 ZINC000708329101 712187235 /nfs/dbraw/zinc/18/72/35/712187235.db2.gz BFSIWOOYAHDVDE-XQQFMLRXSA-N 2 1 240.391 2.003 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@H]1CC(C)(C)CO1 ZINC000708329101 712187238 /nfs/dbraw/zinc/18/72/38/712187238.db2.gz BFSIWOOYAHDVDE-XQQFMLRXSA-N 2 1 240.391 2.003 20 0 BEADMP C[C@H](C[N@H+]1CC[C@H](C[NH3+])C1)CC(C)(C)C ZINC000709120942 712209214 /nfs/dbraw/zinc/20/92/14/712209214.db2.gz BADAMCPPXGMCIS-NWDGAFQWSA-N 2 1 212.381 2.339 20 0 BEADMP CCC[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000708522007 712211794 /nfs/dbraw/zinc/21/17/94/712211794.db2.gz ZPBZHTJQYKPWOB-RWMBFGLXSA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@H](C)C[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709793951 712227578 /nfs/dbraw/zinc/22/75/78/712227578.db2.gz LXPXVKPHNYVQSO-IVZWLZJFSA-N 2 1 238.297 2.102 20 0 BEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(F)cc1)C2 ZINC000709839954 712229313 /nfs/dbraw/zinc/22/93/13/712229313.db2.gz ZVTFALRIYXVHNJ-YUTCNCBUSA-N 2 1 234.318 2.137 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709893796 712230990 /nfs/dbraw/zinc/23/09/90/712230990.db2.gz VAUDDRZCPDJDIT-WCVJEAGWSA-N 2 1 248.414 2.498 20 0 BEADMP CCSCC[N@@H+](C)CCCCCC[NH3+] ZINC000710714576 712255219 /nfs/dbraw/zinc/25/52/19/712255219.db2.gz RRULDUYPXNHWDR-UHFFFAOYSA-N 2 1 218.410 2.190 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])CC[C@H]1CCCO1 ZINC000710749256 712255443 /nfs/dbraw/zinc/25/54/43/712255443.db2.gz HXLSOYCHKAKRJS-CYBMUJFWSA-N 2 1 228.380 2.006 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711168760 712287366 /nfs/dbraw/zinc/28/73/66/712287366.db2.gz QABKNUYRAWABTC-WDNDVIMCSA-N 2 1 233.359 2.360 20 0 BEADMP [NH3+]CC[C@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC000923479645 712334217 /nfs/dbraw/zinc/33/42/17/712334217.db2.gz AJLQUOZNWILBBY-JTQLQIEISA-N 2 1 238.297 2.390 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@H+]([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000923480400 712335002 /nfs/dbraw/zinc/33/50/02/712335002.db2.gz YATFFCCWMYOXCQ-YUELXQCFSA-N 2 1 230.355 2.213 20 0 BEADMP C[C@H]1C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)CC[C@@H]1[NH3+] ZINC000712690932 712448299 /nfs/dbraw/zinc/44/82/99/712448299.db2.gz FYKJAEPDHAXNHX-GHYVTOPFSA-N 2 1 222.376 2.092 20 0 BEADMP C1=CCC(C[N@H+]2CC[NH2+]CCC23CCC3)C1 ZINC000713137190 712453363 /nfs/dbraw/zinc/45/33/63/712453363.db2.gz XEBCTLZHNCXBMY-UHFFFAOYSA-N 2 1 220.360 2.171 20 0 BEADMP CC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000713502836 712463953 /nfs/dbraw/zinc/46/39/53/712463953.db2.gz XIOBVFWKTZEVJQ-UHFFFAOYSA-N 2 1 210.365 2.347 20 0 BEADMP C=C/C=C/CC[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000713700389 712469483 /nfs/dbraw/zinc/46/94/83/712469483.db2.gz AEDXMTZOFVOGJZ-AAAGKOELSA-N 2 1 208.349 2.178 20 0 BEADMP C=C/C=C\CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000713759882 712472026 /nfs/dbraw/zinc/47/20/26/712472026.db2.gz UHQQLJCLYXIYPE-JHZNUDOXSA-N 2 1 220.360 2.193 20 0 BEADMP C=C/C=C\CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000713759882 712472027 /nfs/dbraw/zinc/47/20/27/712472027.db2.gz UHQQLJCLYXIYPE-JHZNUDOXSA-N 2 1 220.360 2.193 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2CCCC(C)(C)O2)CC[C@H]1[NH3+] ZINC000714368283 712483759 /nfs/dbraw/zinc/48/37/59/712483759.db2.gz LXBMOZOZVGYZEX-JHJVBQTASA-N 2 1 240.391 2.003 20 0 BEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C2 ZINC000714809583 712498467 /nfs/dbraw/zinc/49/84/67/712498467.db2.gz QLSWEVUNOJBDRO-KLLKFSIISA-N 2 1 234.387 2.234 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714921317 712499690 /nfs/dbraw/zinc/49/96/90/712499690.db2.gz XMOYPQTVRBELLB-ZZVYKPCYSA-N 2 1 222.376 2.092 20 0 BEADMP C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000714920244 712500034 /nfs/dbraw/zinc/50/00/34/712500034.db2.gz MUVCARPJCXKQSI-QLFBSQMISA-N 2 1 234.387 2.108 20 0 BEADMP CC[N@@H+](CCCCCC[NH3+])CC(C)C ZINC000037111782 712542150 /nfs/dbraw/zinc/54/21/50/712542150.db2.gz PVMZDWAJEXHHSQ-UHFFFAOYSA-N 2 1 200.370 2.483 20 0 BEADMP CC[C@H](C)C[N@@H+](C)CCCCCC[NH3+] ZINC000037173547 712550072 /nfs/dbraw/zinc/55/00/72/712550072.db2.gz VNIPDNIMUSTPCB-LBPRGKRZSA-N 2 1 200.370 2.483 20 0 BEADMP CCc1cc(N[C@@H](C)C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC000716619875 712567651 /nfs/dbraw/zinc/56/76/51/712567651.db2.gz LPNPMFCXVPXORM-JTQLQIEISA-N 2 1 248.374 2.147 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(C2CC2)CCC1 ZINC000717834471 712686563 /nfs/dbraw/zinc/68/65/63/712686563.db2.gz AWKYOMLHJQWUCX-ZDUSSCGKSA-N 2 1 222.376 2.393 20 0 BEADMP CC[C@@H]1CO[C@@H](CC)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717960449 712735108 /nfs/dbraw/zinc/73/51/08/712735108.db2.gz AHIXBZJDBPBPAA-RQJABVFESA-N 2 1 240.391 2.003 20 0 BEADMP Cc1coc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000718070600 712740832 /nfs/dbraw/zinc/74/08/32/712740832.db2.gz PBNSQBXZMQGTIM-ZDUSSCGKSA-N 2 1 236.359 2.410 20 0 BEADMP Cc1coc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000718070600 712740834 /nfs/dbraw/zinc/74/08/34/712740834.db2.gz PBNSQBXZMQGTIM-ZDUSSCGKSA-N 2 1 236.359 2.410 20 0 BEADMP CC(F)(F)CCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000718572611 712774797 /nfs/dbraw/zinc/77/47/97/712774797.db2.gz SAEYZXRXVULJLY-SNVBAGLBSA-N 2 1 220.307 2.093 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCCC(C)(F)F)C1 ZINC000718710776 712777733 /nfs/dbraw/zinc/77/77/33/712777733.db2.gz XXMGTYVCLJURJV-MNOVXSKESA-N 2 1 234.334 2.481 20 0 BEADMP CO[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000718784917 712782900 /nfs/dbraw/zinc/78/29/00/712782900.db2.gz AUBDRELWYYCRNJ-OCCSQVGLSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]1[C@H](Nc2cc[nH+]c3ccccc23)CC[N@H+]1C ZINC000719576716 712812002 /nfs/dbraw/zinc/81/20/02/712812002.db2.gz SEALIFJDIQULKP-WCQYABFASA-N 2 1 241.338 2.161 20 0 BEADMP C[C@@H](c1ccccc1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720667255 712861472 /nfs/dbraw/zinc/86/14/72/712861472.db2.gz VKPANEBDKAUNQE-AEGPPILISA-N 2 1 230.355 2.289 20 0 BEADMP C[C@H]1CCC[C@H](C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000720795161 712865838 /nfs/dbraw/zinc/86/58/38/712865838.db2.gz MVRIKWFWDWIGGG-ZQDZILKHSA-N 2 1 236.403 2.354 20 0 BEADMP C[C@@H](C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccccc1 ZINC000720826193 712868992 /nfs/dbraw/zinc/86/89/92/712868992.db2.gz CTBGCOUXGJEDIO-CWRNSKLLSA-N 2 1 244.382 2.331 20 0 BEADMP [NH3+]C[C@@H]1C[N@@H+](CC2CC=CC2)C[C@H]1C(F)(F)F ZINC000720878441 712872853 /nfs/dbraw/zinc/87/28/53/712872853.db2.gz SRFYJVGKYQQGQN-GHMZBOCLSA-N 2 1 248.292 2.022 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(C)CC(F)(F)C1 ZINC000720902325 712875600 /nfs/dbraw/zinc/87/56/00/712875600.db2.gz VVKCLCZDHKKYBR-VHSXEESVSA-N 2 1 232.318 2.152 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1[nH+]ccc2[nH]ccc21 ZINC000663763902 719156769 /nfs/dbraw/zinc/15/67/69/719156769.db2.gz ITUMRTUHPBBCCF-WDEREUQCSA-N 2 1 244.342 2.092 20 0 BEADMP C[C@@H]1CN(c2[nH+]ccc3[nH]ccc32)[C@@H](C)C[N@H+]1C ZINC000663763899 719155830 /nfs/dbraw/zinc/15/58/30/719155830.db2.gz ITUMRTUHPBBCCF-MNOVXSKESA-N 2 1 244.342 2.092 20 0 BEADMP C[C@@H]1CN(c2cc3[nH]ccc3c[nH+]2)[C@@H](C)C[N@H+]1C ZINC001164633107 719162964 /nfs/dbraw/zinc/16/29/64/719162964.db2.gz GQCPUZRVXALSJZ-MNOVXSKESA-N 2 1 244.342 2.092 20 0 BEADMP CCOC(C)(C)C[NH+]1CCC([N@H+](C)CC)CC1 ZINC001209074420 957311173 /nfs/dbraw/zinc/31/11/73/957311173.db2.gz BHEPRNWYQVODGW-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP CCOC(C)(C)C[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001209074420 957311180 /nfs/dbraw/zinc/31/11/80/957311180.db2.gz BHEPRNWYQVODGW-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP Cc1c[nH+]c(N(C)CC2CC[NH+](C)CC2)c(C)c1 ZINC001165041249 721933655 /nfs/dbraw/zinc/93/36/55/721933655.db2.gz MSCHGINTEPPVDI-UHFFFAOYSA-N 2 1 247.386 2.476 20 0 BEADMP C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000693578434 958867593 /nfs/dbraw/zinc/86/75/93/958867593.db2.gz LMQQTJVSBOSEJB-LBELIVKGSA-N 2 1 210.365 2.090 20 0 BEADMP CC(C)CCC[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000308885272 959534917 /nfs/dbraw/zinc/53/49/17/959534917.db2.gz WQMLDPACRUZCBQ-CYBMUJFWSA-N 2 1 212.381 2.483 20 0 BEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1(Cl)CC1 ZINC000695648053 960322229 /nfs/dbraw/zinc/32/22/29/960322229.db2.gz LLFLZXYGKFNQBW-YEJSDXFRSA-N 2 1 242.794 2.361 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167956145 962804383 /nfs/dbraw/zinc/80/43/83/962804383.db2.gz KEXHEGFVPVOPEF-CLLJXQQHSA-N 2 1 210.365 2.059 20 0 BEADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001168075749 963614664 /nfs/dbraw/zinc/61/46/64/963614664.db2.gz QNFXQWAFPUFXMK-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C=CCCC2)CC[N@@H+]1C ZINC000300332625 1165797237 /nfs/dbraw/zinc/79/72/37/1165797237.db2.gz QJKOGXVROWBWPC-AGIUHOORSA-N 2 1 208.349 2.167 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C=CCCC2)CC[N@H+]1C ZINC000300332625 1165797240 /nfs/dbraw/zinc/79/72/40/1165797240.db2.gz QJKOGXVROWBWPC-AGIUHOORSA-N 2 1 208.349 2.167 20 0 BEADMP CCCC[C@@H](CC)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC000068986698 1165855404 /nfs/dbraw/zinc/85/54/04/1165855404.db2.gz GKLMTIAARKLSRS-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@]1([NH3+])CCC[N@@H+](CC2CCSCC2)CC1 ZINC001205255434 967445652 /nfs/dbraw/zinc/44/56/52/967445652.db2.gz IYPXSZXBYFTKJF-CYBMUJFWSA-N 2 1 242.432 2.333 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206295304 968202882 /nfs/dbraw/zinc/20/28/82/968202882.db2.gz MKAHFTZPPDOLCF-AGIUHOORSA-N 2 1 210.365 2.093 20 0 BEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccco2)CC1 ZINC001206296766 968197574 /nfs/dbraw/zinc/19/75/74/968197574.db2.gz URMFLIYDYKDDRJ-ZDUSSCGKSA-N 2 1 222.332 2.231 20 0 BEADMP CC(C)[N@@H+](CCCCCO)[C@@H]1CCC[NH2+]CC1 ZINC001206582909 968394278 /nfs/dbraw/zinc/39/42/78/968394278.db2.gz PUALVPGVHMKOIW-CQSZACIVSA-N 2 1 242.407 2.002 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1F ZINC000084946300 1165988834 /nfs/dbraw/zinc/98/88/34/1165988834.db2.gz XLNKQRQYYCRGEF-WCQYABFASA-N 2 1 236.334 2.446 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1F ZINC000084946300 1165988841 /nfs/dbraw/zinc/98/88/41/1165988841.db2.gz XLNKQRQYYCRGEF-WCQYABFASA-N 2 1 236.334 2.446 20 0 BEADMP CCC[N@@H+](CC)CC(C)(C)C[NH+](C)C ZINC001207275057 968707624 /nfs/dbraw/zinc/70/76/24/968707624.db2.gz JBVGDINSZVFYDA-UHFFFAOYSA-N 2 1 200.370 2.306 20 0 BEADMP c1csc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC000250080353 1166085204 /nfs/dbraw/zinc/08/52/04/1166085204.db2.gz ICZBDOCCOOFFDD-AAEUAGOBSA-N 2 1 236.384 2.322 20 0 BEADMP c1csc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC000250080353 1166085208 /nfs/dbraw/zinc/08/52/08/1166085208.db2.gz ICZBDOCCOOFFDD-AAEUAGOBSA-N 2 1 236.384 2.322 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CCCC[C@H](F)C2)CC1 ZINC001207391340 968745382 /nfs/dbraw/zinc/74/53/82/968745382.db2.gz GTRSQTFPECPRHQ-ZDUSSCGKSA-N 2 1 228.355 2.152 20 0 BEADMP CCC(CC)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001207399027 968750235 /nfs/dbraw/zinc/75/02/35/968750235.db2.gz WAWDDYBCGPFORU-UHFFFAOYSA-N 2 1 212.381 2.449 20 0 BEADMP CCC[C@H](C)[N@@H+](C)C[C@@H](C[NH3+])C(C)C ZINC000083607070 1166113952 /nfs/dbraw/zinc/11/39/52/1166113952.db2.gz RLLBTDJMDAJQOX-NWDGAFQWSA-N 2 1 200.370 2.338 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000398971069 1166116813 /nfs/dbraw/zinc/11/68/13/1166116813.db2.gz WBDZXLQYWUOUOZ-CYDGBPFRSA-N 2 1 210.365 2.295 20 0 BEADMP C[NH+]1CCC(CC[N@H+]2CCC[C@H]3C[C@H]32)CC1 ZINC001207487494 968787555 /nfs/dbraw/zinc/78/75/55/968787555.db2.gz LDTNLCDWAIPOJY-UONOGXRCSA-N 2 1 222.376 2.203 20 0 BEADMP CC[N@@H+](CCC1CC[NH+](C)CC1)C(C)C ZINC001207479413 968791408 /nfs/dbraw/zinc/79/14/08/968791408.db2.gz IJYPXNWQZHRMNM-UHFFFAOYSA-N 2 1 212.381 2.449 20 0 BEADMP C[C@@H]1CCC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207480080 968799942 /nfs/dbraw/zinc/79/99/42/968799942.db2.gz TYNHHRKTGPCMNR-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP CSCC[N@@H+](C)CCC1CC[NH+](C)CC1 ZINC001207487839 968802458 /nfs/dbraw/zinc/80/24/58/968802458.db2.gz UNWJTPXXFGMPTH-UHFFFAOYSA-N 2 1 230.421 2.013 20 0 BEADMP C1CCC([N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC000129597713 1166204882 /nfs/dbraw/zinc/20/48/82/1166204882.db2.gz BFQMACKYCOYOOC-TZMCWYRMSA-N 2 1 222.376 2.393 20 0 BEADMP C1CCC([N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC000129597713 1166204890 /nfs/dbraw/zinc/20/48/90/1166204890.db2.gz BFQMACKYCOYOOC-TZMCWYRMSA-N 2 1 222.376 2.393 20 0 BEADMP CC(C)(C)c1ccc(CC[NH2+]CC[NH3+])cc1 ZINC000258675749 1166208741 /nfs/dbraw/zinc/20/87/41/1166208741.db2.gz DHDFDNPNWBWPAC-UHFFFAOYSA-N 2 1 220.360 2.075 20 0 BEADMP CC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000227633916 1166224435 /nfs/dbraw/zinc/22/44/35/1166224435.db2.gz PXTPTNZDRPHLES-ZIAGYGMSSA-N 2 1 218.344 2.041 20 0 BEADMP CC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC000227633916 1166224443 /nfs/dbraw/zinc/22/44/43/1166224443.db2.gz PXTPTNZDRPHLES-ZIAGYGMSSA-N 2 1 218.344 2.041 20 0 BEADMP C[NH+](C)CC1(C[N@H+]2C[C@@H]3C[C@@H]3C2)CCCC1 ZINC001208184843 969116042 /nfs/dbraw/zinc/11/60/42/969116042.db2.gz QGCZNVFOSAOMBB-BETUJISGSA-N 2 1 222.376 2.060 20 0 BEADMP C[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](C)C2)CC1 ZINC001208608486 969148563 /nfs/dbraw/zinc/14/85/63/969148563.db2.gz UFHROKJUYYZTTE-UONOGXRCSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@H]1CCC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208608486 969148570 /nfs/dbraw/zinc/14/85/70/969148570.db2.gz UFHROKJUYYZTTE-UONOGXRCSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208608486 969148574 /nfs/dbraw/zinc/14/85/74/969148574.db2.gz UFHROKJUYYZTTE-UONOGXRCSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH+](C)C2)CC1 ZINC001208608485 969149254 /nfs/dbraw/zinc/14/92/54/969149254.db2.gz UFHROKJUYYZTTE-KGLIPLIRSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@@H]1CCC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208608485 969149259 /nfs/dbraw/zinc/14/92/59/969149259.db2.gz UFHROKJUYYZTTE-KGLIPLIRSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@@H]1CCC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208608485 969149263 /nfs/dbraw/zinc/14/92/63/969149263.db2.gz UFHROKJUYYZTTE-KGLIPLIRSA-N 2 1 224.392 2.450 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CC[C@](C)(CF)C2)CC1 ZINC001208593564 969150680 /nfs/dbraw/zinc/15/06/80/969150680.db2.gz WMQUFQFESMRITI-CQSZACIVSA-N 2 1 242.382 2.400 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2C[C@H](F)C[C@H]2C)CC1 ZINC001208593646 969150840 /nfs/dbraw/zinc/15/08/40/969150840.db2.gz YJWYQNISPVNDSU-DGCLKSJQSA-N 2 1 228.355 2.151 20 0 BEADMP CC[NH+]1CCC(C[N@@H+](C)C(C)(C)C)CC1 ZINC001208599670 969152909 /nfs/dbraw/zinc/15/29/09/969152909.db2.gz KBPCDTVQHFQJKR-UHFFFAOYSA-N 2 1 212.381 2.449 20 0 BEADMP CCCC[N@H+](CC)C[C@H]1CCC[NH+](C)C1 ZINC001208603895 969157487 /nfs/dbraw/zinc/15/74/87/969157487.db2.gz IDTDRPGLEUAWHH-ZDUSSCGKSA-N 2 1 212.381 2.450 20 0 BEADMP CCCC[N@@H+](CC)C[C@H]1CCC[NH+](C)C1 ZINC001208603895 969157491 /nfs/dbraw/zinc/15/74/91/969157491.db2.gz IDTDRPGLEUAWHH-ZDUSSCGKSA-N 2 1 212.381 2.450 20 0 BEADMP CCCC[NH+](CC)C[C@H]1CCC[N@H+](C)C1 ZINC001208603895 969157497 /nfs/dbraw/zinc/15/74/97/969157497.db2.gz IDTDRPGLEUAWHH-ZDUSSCGKSA-N 2 1 212.381 2.450 20 0 BEADMP CCCC[NH+](CC)C[C@H]1CCC[N@@H+](C)C1 ZINC001208603895 969157501 /nfs/dbraw/zinc/15/75/01/969157501.db2.gz IDTDRPGLEUAWHH-ZDUSSCGKSA-N 2 1 212.381 2.450 20 0 BEADMP C[C@@H]1[C@H](C)C[N@@H+](CCC[NH2+]C2CC2)[C@H]1C ZINC000399667440 1166250448 /nfs/dbraw/zinc/25/04/48/1166250448.db2.gz MRNMZDUNXGKPEF-UTUOFQBUSA-N 2 1 210.365 2.105 20 0 BEADMP CC[C@@H]1CN(c2cc(C)[nH+]c(C)n2)[C@@H](CC)C[NH2+]1 ZINC000086466403 1166278540 /nfs/dbraw/zinc/27/85/40/1166278540.db2.gz PNXKHVHSLZYFPS-OLZOCXBDSA-N 2 1 248.374 2.060 20 0 BEADMP CCCCC[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001253549802 969221067 /nfs/dbraw/zinc/22/10/67/969221067.db2.gz GCEBBQNWXWIKLB-ZIAGYGMSSA-N 2 1 242.407 2.002 20 0 BEADMP CO[C@@H]1CCC[C@@H]([N@@H+](CCC[NH3+])C(C)C)C1 ZINC000226539036 1166288589 /nfs/dbraw/zinc/28/85/89/1166288589.db2.gz FCPFWIUHKPLWFT-CHWSQXEVSA-N 2 1 228.380 2.003 20 0 BEADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000226598137 1166310810 /nfs/dbraw/zinc/31/08/10/1166310810.db2.gz DZKMQXVZBMIEBF-IHRRRGAJSA-N 2 1 224.392 2.482 20 0 BEADMP CCOC(C)(C)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001209075558 969349037 /nfs/dbraw/zinc/34/90/37/969349037.db2.gz SODBERMQXDXWPF-UHFFFAOYSA-N 2 1 242.407 2.075 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC000228004430 1166380350 /nfs/dbraw/zinc/38/03/50/1166380350.db2.gz QWGHVWHNCNQCIH-BXUZGUMPSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC000228004430 1166380356 /nfs/dbraw/zinc/38/03/56/1166380356.db2.gz QWGHVWHNCNQCIH-BXUZGUMPSA-N 2 1 232.371 2.473 20 0 BEADMP CCC(CC)C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC000250384063 1166393861 /nfs/dbraw/zinc/39/38/61/1166393861.db2.gz FNYHYLIXGJYPNF-DGCLKSJQSA-N 2 1 212.381 2.482 20 0 BEADMP CCC(CC)[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000250403790 1166395365 /nfs/dbraw/zinc/39/53/65/1166395365.db2.gz MCTJWCJWUVXKAV-WCQYABFASA-N 2 1 210.365 2.249 20 0 BEADMP CCC(CC)[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000250403790 1166395372 /nfs/dbraw/zinc/39/53/72/1166395372.db2.gz MCTJWCJWUVXKAV-WCQYABFASA-N 2 1 210.365 2.249 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(F)CCC1)C2 ZINC001169109591 969448205 /nfs/dbraw/zinc/44/82/05/969448205.db2.gz FBSPYHCDYMGMEO-CNDDSTCGSA-N 2 1 226.339 2.093 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(F)CCC1)C2 ZINC001169109591 969448234 /nfs/dbraw/zinc/44/82/34/969448234.db2.gz FBSPYHCDYMGMEO-CNDDSTCGSA-N 2 1 226.339 2.093 20 0 BEADMP C[C@@H]1CC(C[N@@H+](C)CCC[NH+](C)C)C[C@@H](C)O1 ZINC001209378721 969450475 /nfs/dbraw/zinc/45/04/75/969450475.db2.gz MWGRDQYMHRVDGH-CHWSQXEVSA-N 2 1 242.407 2.074 20 0 BEADMP C[C@]1(C[NH3+])CCCN(c2ccc3c([nH+]2)CCC3)C1 ZINC000708443814 1166415445 /nfs/dbraw/zinc/41/54/45/1166415445.db2.gz KQTKPHIPZICQDU-OAHLLOKOSA-N 2 1 245.370 2.136 20 0 BEADMP C[N@H+](CCOc1ccccc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC000252940464 1166428222 /nfs/dbraw/zinc/42/82/22/1166428222.db2.gz ZMXDIYJNVJILBA-HUUCEWRRSA-N 2 1 248.370 2.267 20 0 BEADMP C[N@@H+](CCOc1ccccc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC000252940464 1166428226 /nfs/dbraw/zinc/42/82/26/1166428226.db2.gz ZMXDIYJNVJILBA-HUUCEWRRSA-N 2 1 248.370 2.267 20 0 BEADMP c1ccc(CC[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC000250799599 1166431092 /nfs/dbraw/zinc/43/10/92/1166431092.db2.gz DDDAPRBYVQIKCF-JKSUJKDBSA-N 2 1 244.382 2.303 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H]3CCC[C@H]32)CC[NH2+]1 ZINC000252953131 1166449444 /nfs/dbraw/zinc/44/94/44/1166449444.db2.gz QBFULICUBVNLID-AAVRWANBSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H]3CCC[C@H]32)CC[NH2+]1 ZINC000252953131 1166449447 /nfs/dbraw/zinc/44/94/47/1166449447.db2.gz QBFULICUBVNLID-AAVRWANBSA-N 2 1 222.376 2.391 20 0 BEADMP C1C[C@H]2CCC[N@H+]([C@@H]3CCC[NH2+]C3)[C@H]2C1 ZINC000250996832 1166466027 /nfs/dbraw/zinc/46/60/27/1166466027.db2.gz DBLMOVNQZLUWJV-XQQFMLRXSA-N 2 1 208.349 2.003 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC001254499207 969657403 /nfs/dbraw/zinc/65/74/03/969657403.db2.gz COOIREBYZWWATD-NEPJUHHUSA-N 2 1 246.345 2.496 20 0 BEADMP CC[NH+]1CCC([NH2+]C2[C@H](C)CC[C@H]2C)CC1 ZINC000309666777 1166477152 /nfs/dbraw/zinc/47/71/52/1166477152.db2.gz ULUGZAPGTFDNOY-VXGBXAGGSA-N 2 1 224.392 2.495 20 0 BEADMP CO[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254515568 969690333 /nfs/dbraw/zinc/69/03/33/969690333.db2.gz YNAMSNLIZSIUHO-MCIONIFRSA-N 2 1 240.391 2.018 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@H](C(F)F)C2)CC1 ZINC001254525426 969717821 /nfs/dbraw/zinc/71/78/21/969717821.db2.gz IETKYSJNCQSNSZ-NWDGAFQWSA-N 2 1 246.345 2.448 20 0 BEADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@H](C(F)F)C2)CC1 ZINC001254525426 969717832 /nfs/dbraw/zinc/71/78/32/969717832.db2.gz IETKYSJNCQSNSZ-NWDGAFQWSA-N 2 1 246.345 2.448 20 0 BEADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@H](C(F)F)C2)CC1 ZINC001254525426 969717836 /nfs/dbraw/zinc/71/78/36/969717836.db2.gz IETKYSJNCQSNSZ-NWDGAFQWSA-N 2 1 246.345 2.448 20 0 BEADMP C[C@@H]1C[C@@H](C)C[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254524912 969718326 /nfs/dbraw/zinc/71/83/26/969718326.db2.gz DQWJPHYCYNZQFJ-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@@H](CF)C2)CC1 ZINC001254524666 969723647 /nfs/dbraw/zinc/72/36/47/969723647.db2.gz YIOFIXUNOWACDW-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@@H](CF)C2)CC1 ZINC001254524666 969723653 /nfs/dbraw/zinc/72/36/53/969723653.db2.gz YIOFIXUNOWACDW-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@@H](CF)C2)CC1 ZINC001254524666 969723665 /nfs/dbraw/zinc/72/36/65/969723665.db2.gz YIOFIXUNOWACDW-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP CCc1ccc[nH+]c1NCC[C@H]1CCC[NH2+]1 ZINC001169558571 969754535 /nfs/dbraw/zinc/75/45/35/969754535.db2.gz HQUBNXNFENZSDU-GFCCVEGCSA-N 2 1 219.332 2.198 20 0 BEADMP Cc1c[nH+]ccc1N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000226992685 1166604425 /nfs/dbraw/zinc/60/44/25/1166604425.db2.gz AVFQHOVGCABVBO-KBPBESRZSA-N 2 1 231.343 2.429 20 0 BEADMP CCCC[C@@H](C)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000394604435 1166605179 /nfs/dbraw/zinc/60/51/79/1166605179.db2.gz FMWRNVIIJOXCJQ-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+](C)CC2CC(F)(F)C2)CC[NH2+]1 ZINC000394748725 1166613223 /nfs/dbraw/zinc/61/32/23/1166613223.db2.gz ZMYXJFDBTQJAJP-MWLCHTKSSA-N 2 1 232.318 2.104 20 0 BEADMP C[C@@H](CC(F)(F)F)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001255655664 970431829 /nfs/dbraw/zinc/43/18/29/970431829.db2.gz MHRVQDRKBRMJCY-VIFPVBQESA-N 2 1 247.264 2.082 20 0 BEADMP C[C@@H](CC(F)(F)F)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001255655664 970431835 /nfs/dbraw/zinc/43/18/35/970431835.db2.gz MHRVQDRKBRMJCY-VIFPVBQESA-N 2 1 247.264 2.082 20 0 BEADMP CC[NH+](CC)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255674316 970450684 /nfs/dbraw/zinc/45/06/84/970450684.db2.gz PDLAPTXWSPIFKR-FUNVUKJBSA-N 2 1 210.365 2.344 20 0 BEADMP CC[NH+](CC)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255674316 970450687 /nfs/dbraw/zinc/45/06/87/970450687.db2.gz PDLAPTXWSPIFKR-FUNVUKJBSA-N 2 1 210.365 2.344 20 0 BEADMP Cc1ccc(C[C@@H](C)[NH2+]C(C)(C)C[NH3+])cc1 ZINC001255771549 970473181 /nfs/dbraw/zinc/47/31/81/970473181.db2.gz BFHCIVTYENXTPG-GFCCVEGCSA-N 2 1 220.360 2.253 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)C1CCOCC1 ZINC001255955472 970587973 /nfs/dbraw/zinc/58/79/73/970587973.db2.gz UPYIFKPJROSQPI-CYBMUJFWSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H](C)C1 ZINC001255956752 970595824 /nfs/dbraw/zinc/59/58/24/970595824.db2.gz MCXFSMOPAAOKLB-STQMWFEESA-N 2 1 212.381 2.449 20 0 BEADMP CC[C@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)CCCO1 ZINC000380263338 1166849913 /nfs/dbraw/zinc/84/99/13/1166849913.db2.gz YEZJGVNXNUNBRX-HNNXBMFYSA-N 2 1 248.370 2.146 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000251279464 1166855162 /nfs/dbraw/zinc/85/51/62/1166855162.db2.gz GDBYLFXTVZXVOW-IHRRRGAJSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000251279466 1166854690 /nfs/dbraw/zinc/85/46/90/1166854690.db2.gz GDBYLFXTVZXVOW-MELADBBJSA-N 2 1 224.392 2.497 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@H](C(C)=O)C1 ZINC001255970314 970607590 /nfs/dbraw/zinc/60/75/90/970607590.db2.gz CBCNVPUKLKQONW-JSGCOSHPSA-N 2 1 240.391 2.018 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H](C(C)=O)C1 ZINC001255970314 970607608 /nfs/dbraw/zinc/60/76/08/970607608.db2.gz CBCNVPUKLKQONW-JSGCOSHPSA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)=CCC[C@@H](C)[N@H+]1CCC[NH2+]CC1 ZINC000238412007 1166870314 /nfs/dbraw/zinc/87/03/14/1166870314.db2.gz AFDSVKRTDUVHNA-CYBMUJFWSA-N 2 1 210.365 2.417 20 0 BEADMP CC1CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256072670 970641848 /nfs/dbraw/zinc/64/18/48/970641848.db2.gz FWQLQEKOPPTMKC-UHFFFAOYSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC([N@H+]2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC001256202564 970703765 /nfs/dbraw/zinc/70/37/65/970703765.db2.gz GYVRTCOSCBRMNK-BETUJISGSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC001256202564 970703769 /nfs/dbraw/zinc/70/37/69/970703769.db2.gz GYVRTCOSCBRMNK-BETUJISGSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC([N@H+]2CC[C@H]3CCC[C@H]3C2)CC1 ZINC001256205055 970702506 /nfs/dbraw/zinc/70/25/06/970702506.db2.gz VKGULSPKSARELR-OLZOCXBDSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C[C@@H]1C ZINC001256202665 970702931 /nfs/dbraw/zinc/70/29/31/970702931.db2.gz KIUSKNXULFYMNS-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C[C@@H]1C ZINC001256202665 970702947 /nfs/dbraw/zinc/70/29/47/970702947.db2.gz KIUSKNXULFYMNS-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP CCSC[C@@H](C)[N@@H+](C)CCC[NH+](C)C ZINC001173297385 975184180 /nfs/dbraw/zinc/18/41/80/975184180.db2.gz FTXMAVMCEQWSNN-LLVKDONJSA-N 2 1 218.410 2.012 20 0 BEADMP CCSC[C@@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001173302520 975208055 /nfs/dbraw/zinc/20/80/55/975208055.db2.gz SPVKOJDMMAJKLF-UPJWGTAASA-N 2 1 242.432 2.012 20 0 BEADMP CCSC[C@@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001173302520 975208067 /nfs/dbraw/zinc/20/80/67/975208067.db2.gz SPVKOJDMMAJKLF-UPJWGTAASA-N 2 1 242.432 2.012 20 0 BEADMP CCSC[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001173302520 975208075 /nfs/dbraw/zinc/20/80/75/975208075.db2.gz SPVKOJDMMAJKLF-UPJWGTAASA-N 2 1 242.432 2.012 20 0 BEADMP CCSC[C@H](C)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001173315647 975302450 /nfs/dbraw/zinc/30/24/50/975302450.db2.gz RVUKSJUJEFUFDJ-YNEHKIRRSA-N 2 1 242.432 2.012 20 0 BEADMP Cc1ccc(OCC[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000228180073 1167114656 /nfs/dbraw/zinc/11/46/56/1167114656.db2.gz MPGOWJJYQHADGT-KGLIPLIRSA-N 2 1 248.370 2.185 20 0 BEADMP CCC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)OC ZINC000383243210 1167118098 /nfs/dbraw/zinc/11/80/98/1167118098.db2.gz ZZNMZOZREJOJPE-RDBSUJKOSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)OC ZINC000383243210 1167118099 /nfs/dbraw/zinc/11/80/99/1167118099.db2.gz ZZNMZOZREJOJPE-RDBSUJKOSA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)Nc1cc[nH+]cc1 ZINC000308885282 1167211776 /nfs/dbraw/zinc/21/17/76/1167211776.db2.gz VOGLNDSZKYWUCL-LLVKDONJSA-N 2 1 207.321 2.222 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]2C)C1 ZINC000309037570 1167244142 /nfs/dbraw/zinc/24/41/42/1167244142.db2.gz JCAMUXYHBAEEDR-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]2C)C1 ZINC000309037573 1167245127 /nfs/dbraw/zinc/24/51/27/1167245127.db2.gz JCAMUXYHBAEEDR-YNEHKIRRSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C1 ZINC000309294278 1167282729 /nfs/dbraw/zinc/28/27/29/1167282729.db2.gz RBQLLJCIJUKIRH-XQQFMLRXSA-N 2 1 212.381 2.480 20 0 BEADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CC[C@H]([NH3+])C1 ZINC000309294278 1167282732 /nfs/dbraw/zinc/28/27/32/1167282732.db2.gz RBQLLJCIJUKIRH-XQQFMLRXSA-N 2 1 212.381 2.480 20 0 BEADMP CC(C)[NH+]1CCC([NH2+]CC2(F)CCC2)CC1 ZINC000309610726 1167331476 /nfs/dbraw/zinc/33/14/76/1167331476.db2.gz MOKFAWNKDKPSHB-UHFFFAOYSA-N 2 1 228.355 2.341 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+]CC2CC(C)(C)C2)CC1 ZINC000309614620 1167332710 /nfs/dbraw/zinc/33/27/10/1167332710.db2.gz CIZQKKJZYMRWPX-ZDUSSCGKSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC000215507076 1167411558 /nfs/dbraw/zinc/41/15/58/1167411558.db2.gz QWGHVWHNCNQCIH-FZMZJTMJSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC000215507076 1167411562 /nfs/dbraw/zinc/41/15/62/1167411562.db2.gz QWGHVWHNCNQCIH-FZMZJTMJSA-N 2 1 232.371 2.473 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000251701177 1167455171 /nfs/dbraw/zinc/45/51/71/1167455171.db2.gz BFNQBPDBDPFSOX-NRSZHIJWSA-N 2 1 240.391 2.144 20 0 BEADMP [NH3+]C[C@@H]1CCCC[N@H+](C2CCCCC2)C1 ZINC000215782041 1167478198 /nfs/dbraw/zinc/47/81/98/1167478198.db2.gz YXCAXRCDVGQBGZ-LBPRGKRZSA-N 2 1 210.365 2.380 20 0 BEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252098654 1167626433 /nfs/dbraw/zinc/62/64/33/1167626433.db2.gz ICDZGGUMPGGCAR-XQHKEYJVSA-N 2 1 212.381 2.338 20 0 BEADMP C1CC[C@@H]2C[N@H+]([C@@H]3CCC[NH2+]C3)CC[C@H]2C1 ZINC000252372285 1167825874 /nfs/dbraw/zinc/82/58/74/1167825874.db2.gz ICLNTGGGMVODTQ-MGPQQGTHSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235176298 978989816 /nfs/dbraw/zinc/98/98/16/978989816.db2.gz ZYZGNYNNUMFXQZ-MGPQQGTHSA-N 2 1 222.376 2.251 20 0 BEADMP CCC[C@H](C)C[N@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001236328214 979536101 /nfs/dbraw/zinc/53/61/01/979536101.db2.gz NRPUCBBQIYFTKV-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[C@H](C)C[N@@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001236328214 979536114 /nfs/dbraw/zinc/53/61/14/979536114.db2.gz NRPUCBBQIYFTKV-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2COc3ccccc32)CC1 ZINC000086819144 1168314377 /nfs/dbraw/zinc/31/43/77/1168314377.db2.gz PZRXIONPXYWJJZ-TZMCWYRMSA-N 2 1 246.354 2.194 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2COc3ccccc32)CC1 ZINC000086819144 1168314385 /nfs/dbraw/zinc/31/43/85/1168314385.db2.gz PZRXIONPXYWJJZ-TZMCWYRMSA-N 2 1 246.354 2.194 20 0 BEADMP CC[C@H]1CCCC[N@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000229541143 1168330370 /nfs/dbraw/zinc/33/03/70/1168330370.db2.gz FMAHAOQRSOBZIB-RWMBFGLXSA-N 2 1 210.365 2.391 20 0 BEADMP CC[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000229542168 1168333438 /nfs/dbraw/zinc/33/34/38/1168333438.db2.gz YSHLPAJQSFDQCS-YNEHKIRRSA-N 2 1 210.365 2.249 20 0 BEADMP CCCCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC000037484755 1168418122 /nfs/dbraw/zinc/41/81/22/1168418122.db2.gz LJHQVZKYEOBUPH-STQMWFEESA-N 2 1 212.381 2.497 20 0 BEADMP c1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc[nH+]1 ZINC000227334108 1168658534 /nfs/dbraw/zinc/65/85/34/1168658534.db2.gz MFZAQQAQOHQLGQ-OLZOCXBDSA-N 2 1 217.316 2.120 20 0 BEADMP C1[C@H]2C[NH2+]C[C@@H]2[N@@H+]1C1CCCCCCC1 ZINC001246914898 1168661091 /nfs/dbraw/zinc/66/10/91/1168661091.db2.gz DQIPHPQXBWPYEX-YPMHNXCESA-N 2 1 208.349 2.003 20 0 BEADMP C1[C@H]2C[NH2+]C[C@@H]2[N@H+]1C1CCCCCCC1 ZINC001246914898 1168661093 /nfs/dbraw/zinc/66/10/93/1168661093.db2.gz DQIPHPQXBWPYEX-YPMHNXCESA-N 2 1 208.349 2.003 20 0 BEADMP CCC(CC)[N@@H+](CC)CCC[NH+](C)C ZINC000344018064 1168727497 /nfs/dbraw/zinc/72/74/97/1168727497.db2.gz FPOCZEWEZPFHBU-UHFFFAOYSA-N 2 1 200.370 2.449 20 0 BEADMP CC(C)(C)C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC000257709958 1168934851 /nfs/dbraw/zinc/93/48/51/1168934851.db2.gz SNKDMIPTFYARKH-CYBMUJFWSA-N 2 1 210.365 2.251 20 0 BEADMP CC(C)(C)C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC000257709959 1168934898 /nfs/dbraw/zinc/93/48/98/1168934898.db2.gz SNKDMIPTFYARKH-ZDUSSCGKSA-N 2 1 210.365 2.251 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC000300730220 1168977630 /nfs/dbraw/zinc/97/76/30/1168977630.db2.gz FKOFFZMBVCGCEC-CYBMUJFWSA-N 2 1 210.365 2.237 20 0 BEADMP [NH3+]CC[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC000300730221 1168977816 /nfs/dbraw/zinc/97/78/16/1168977816.db2.gz FKOFFZMBVCGCEC-ZDUSSCGKSA-N 2 1 210.365 2.237 20 0 BEADMP [NH3+][C@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC000057938805 1169154858 /nfs/dbraw/zinc/15/48/58/1169154858.db2.gz BGRNLJQTCYXANK-ZDUSSCGKSA-N 2 1 208.349 2.300 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC000057938805 1169154862 /nfs/dbraw/zinc/15/48/62/1169154862.db2.gz BGRNLJQTCYXANK-ZDUSSCGKSA-N 2 1 208.349 2.300 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)CCOC(C)C)CC1 ZINC001172433907 974719457 /nfs/dbraw/zinc/71/94/57/974719457.db2.gz LBVQDBZOKMCFJU-CYBMUJFWSA-N 2 1 242.407 2.264 20 0 BEADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H](C)CCOC(C)C ZINC001172434774 974722843 /nfs/dbraw/zinc/72/28/43/974722843.db2.gz SVSVKPHBCQBGLJ-NSHDSACASA-N 2 1 239.363 2.069 20 0 BEADMP CC(C)OCC[C@@H](C)[N@@H+](C)CCC[NH+](C)C ZINC001172439648 974796184 /nfs/dbraw/zinc/79/61/84/974796184.db2.gz GBUPWDPCLNUAPX-CYBMUJFWSA-N 2 1 230.396 2.074 20 0 BEADMP CC(C)OCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001172441539 974800096 /nfs/dbraw/zinc/80/00/96/974800096.db2.gz XAOPFVYUVSTETC-BFHYXJOUSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)OCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001172441539 974800099 /nfs/dbraw/zinc/80/00/99/974800099.db2.gz XAOPFVYUVSTETC-BFHYXJOUSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)COCC[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC001172456144 974819791 /nfs/dbraw/zinc/81/97/91/974819791.db2.gz YEVSOOFVALHGCN-CYBMUJFWSA-N 2 1 242.407 2.121 20 0 BEADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC2)cc1 ZINC001138542690 1169361430 /nfs/dbraw/zinc/36/14/30/1169361430.db2.gz FFTPXPRZAUFHBK-UHFFFAOYSA-N 2 1 227.311 2.386 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cnccc1C ZINC001329025140 973438294 /nfs/dbraw/zinc/43/82/94/973438294.db2.gz ZDSBPSGTXUFOAI-RYUDHWBXSA-N 2 1 221.348 2.039 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@@H](C)Cc1ccccn1 ZINC001256397553 970805407 /nfs/dbraw/zinc/80/54/07/970805407.db2.gz SFNZJISSRGEHLY-ZDUSSCGKSA-N 2 1 235.375 2.073 20 0 BEADMP CC1C[NH+](C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256569214 970866717 /nfs/dbraw/zinc/86/67/17/970866717.db2.gz VKCVCTANQKDPPA-UHFFFAOYSA-N 2 1 210.365 2.201 20 0 BEADMP CC(C)CCC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403196998 970892801 /nfs/dbraw/zinc/89/28/01/970892801.db2.gz YCQNEPQUDFFOLF-LLVKDONJSA-N 2 1 234.334 2.339 20 0 BEADMP C[C@H]1CC[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256855785 970999346 /nfs/dbraw/zinc/99/93/46/970999346.db2.gz VXVNTZKDJTWSRE-LBPRGKRZSA-N 2 1 231.343 2.145 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2CC[C@](C)([NH3+])C2)c1 ZINC000405775456 971303595 /nfs/dbraw/zinc/30/35/95/971303595.db2.gz CPFHTPWBSXQISK-AWEZNQCLSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CC[C@](C)([NH3+])C2)c1 ZINC000405775456 971303599 /nfs/dbraw/zinc/30/35/99/971303599.db2.gz CPFHTPWBSXQISK-AWEZNQCLSA-N 2 1 218.344 2.227 20 0 BEADMP C[C@@]1([NH3+])CC[N@H+](CCCCc2ccccc2)C1 ZINC000405837390 971309955 /nfs/dbraw/zinc/30/99/55/971309955.db2.gz QFONQDRYEUHTRB-OAHLLOKOSA-N 2 1 232.371 2.432 20 0 BEADMP C[C@@]1([NH3+])CC[N@@H+](CCCCc2ccccc2)C1 ZINC000405837390 971309973 /nfs/dbraw/zinc/30/99/73/971309973.db2.gz QFONQDRYEUHTRB-OAHLLOKOSA-N 2 1 232.371 2.432 20 0 BEADMP Cc1[nH]c2ccccc2c1C[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC000405829528 971311632 /nfs/dbraw/zinc/31/16/32/971311632.db2.gz RDHBLYLNVOJWCM-OAHLLOKOSA-N 2 1 243.354 2.399 20 0 BEADMP Cc1[nH]c2ccccc2c1C[N@H+]1CC[C@@](C)([NH3+])C1 ZINC000405829528 971311645 /nfs/dbraw/zinc/31/16/45/971311645.db2.gz RDHBLYLNVOJWCM-OAHLLOKOSA-N 2 1 243.354 2.399 20 0 BEADMP C[C@]1([NH3+])CC[N@H+](CCCc2ccccc2)C1 ZINC000405839267 971316592 /nfs/dbraw/zinc/31/65/92/971316592.db2.gz HZCVQRQQTWEULD-AWEZNQCLSA-N 2 1 218.344 2.042 20 0 BEADMP C[C@]1([NH3+])CC[N@@H+](CCCc2ccccc2)C1 ZINC000405839267 971316594 /nfs/dbraw/zinc/31/65/94/971316594.db2.gz HZCVQRQQTWEULD-AWEZNQCLSA-N 2 1 218.344 2.042 20 0 BEADMP CCCCC[C@@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001257504662 971422836 /nfs/dbraw/zinc/42/28/36/971422836.db2.gz YZSIGWYNHNHMCI-NWDGAFQWSA-N 2 1 200.370 2.482 20 0 BEADMP CC(C)C1CCC([NH+]2CC3(C2)CC[NH2+]C3)CC1 ZINC000724056534 971433372 /nfs/dbraw/zinc/43/33/72/971433372.db2.gz MSFIGHMCNMHDHJ-UHFFFAOYSA-N 2 1 236.403 2.497 20 0 BEADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCCSC1 ZINC001257678297 971481945 /nfs/dbraw/zinc/48/19/45/971481945.db2.gz URQDTSAUPYUONY-CYBMUJFWSA-N 2 1 242.432 2.156 20 0 BEADMP CC(C)CC[NH2+]CC1([NH+](C)C)CCCC1 ZINC000105838357 971503620 /nfs/dbraw/zinc/50/36/20/971503620.db2.gz DBJDZNMPECAUDK-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP CC(C)OC1CCC([N@H+](C)C[C@@H](C)C[NH3+])CC1 ZINC001257874566 971512985 /nfs/dbraw/zinc/51/29/85/971512985.db2.gz FRHRVBGYQBNLSW-HSBZDZAISA-N 2 1 242.407 2.249 20 0 BEADMP [NH3+][C@@H]1C[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC001257992979 971550563 /nfs/dbraw/zinc/55/05/63/971550563.db2.gz DEAKOVIQKLJJBZ-NEXFUWMNSA-N 2 1 230.355 2.402 20 0 BEADMP CC(C)C[NH+]1CCC([NH+]2CC(C)(C)C2)CC1 ZINC001258012201 971553137 /nfs/dbraw/zinc/55/31/37/971553137.db2.gz VEFTWGDPXBLXFG-UHFFFAOYSA-N 2 1 224.392 2.449 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](CC2CCCCC2)CC[C@@H]1F ZINC001206153977 974318098 /nfs/dbraw/zinc/31/80/98/974318098.db2.gz FVGVMSGWZCJPJJ-QWHCGFSZSA-N 2 1 228.355 2.328 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](CC2CCCCC2)CC[C@@H]1F ZINC001206153977 974318114 /nfs/dbraw/zinc/31/81/14/974318114.db2.gz FVGVMSGWZCJPJJ-QWHCGFSZSA-N 2 1 228.355 2.328 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170716903 971638677 /nfs/dbraw/zinc/63/86/77/971638677.db2.gz ZQSOOOOHAVKERX-XYYAHUGASA-N 2 1 233.359 2.216 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1CCC1)C2 ZINC001172099066 974342023 /nfs/dbraw/zinc/34/20/23/974342023.db2.gz FECMMCPKCPORJD-ZSOGYDGISA-N 2 1 222.376 2.391 20 0 BEADMP CCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100787 974344182 /nfs/dbraw/zinc/34/41/82/974344182.db2.gz TXYHQSYULVNWHS-CLLJXQQHSA-N 2 1 210.365 2.391 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCCC1)C2 ZINC001172109428 974371729 /nfs/dbraw/zinc/37/17/29/974371729.db2.gz DCDOFSFFAWXRSA-WDNDVIMCSA-N 2 1 222.376 2.488 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCCC1)C2 ZINC001172109428 974371733 /nfs/dbraw/zinc/37/17/33/974371733.db2.gz DCDOFSFFAWXRSA-WDNDVIMCSA-N 2 1 222.376 2.488 20 0 BEADMP CC/C=C\CCC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206157451 974389336 /nfs/dbraw/zinc/38/93/36/974389336.db2.gz YTFIQBKWMWNEPC-FGTRRKKMSA-N 2 1 228.355 2.494 20 0 BEADMP CC/C=C\CCC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206157451 974389342 /nfs/dbraw/zinc/38/93/42/974389342.db2.gz YTFIQBKWMWNEPC-FGTRRKKMSA-N 2 1 228.355 2.494 20 0 BEADMP CCC=CNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001170768159 971771448 /nfs/dbraw/zinc/77/14/48/971771448.db2.gz RKSMKPTZJCKZMA-ZZXKWVIFSA-N 2 1 242.326 2.357 20 0 BEADMP CC[C@H](C)OCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001172315677 974522967 /nfs/dbraw/zinc/52/29/67/974522967.db2.gz CLAYFPBLKAVOLF-RDBSUJKOSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@H](Cc1ccco1)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246539080 972532978 /nfs/dbraw/zinc/53/29/78/972532978.db2.gz ATHBRRKLTHOCDE-VXGBXAGGSA-N 2 1 222.332 2.024 20 0 BEADMP C[N@H+]1CCC=C(c2cccc3c2CC[C@H]3[NH3+])C1 ZINC001241571245 1169730886 /nfs/dbraw/zinc/73/08/86/1169730886.db2.gz WQDHSPJQCOSTES-OAHLLOKOSA-N 2 1 228.339 2.352 20 0 BEADMP Cc1cccnc1[C@@H]([NH2+]C1CC[NH2+]CC1)C1CC1 ZINC001246231112 972235829 /nfs/dbraw/zinc/23/58/29/972235829.db2.gz CFSRPQVOYYROSY-HNNXBMFYSA-N 2 1 245.370 2.183 20 0 BEADMP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH+](C)C2)C2(CC2)C1 ZINC001208615002 957107950 /nfs/dbraw/zinc/10/79/50/957107950.db2.gz GTUAGNCNUIDOIS-QWHCGFSZSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH+](C)C2)C2(CC2)C1 ZINC001208615002 957107966 /nfs/dbraw/zinc/10/79/66/957107966.db2.gz GTUAGNCNUIDOIS-QWHCGFSZSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](C)C2)C2(CC2)C1 ZINC001208615002 957107980 /nfs/dbraw/zinc/10/79/80/957107980.db2.gz GTUAGNCNUIDOIS-QWHCGFSZSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](C)C2)C2(CC2)C1 ZINC001208615002 957107991 /nfs/dbraw/zinc/10/79/91/957107991.db2.gz GTUAGNCNUIDOIS-QWHCGFSZSA-N 2 1 222.376 2.203 20 0 BEADMP CC(=O)c1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001246274292 972252375 /nfs/dbraw/zinc/25/23/75/972252375.db2.gz YUBWEJPXUYFSSW-NHYWBVRUSA-N 2 1 246.354 2.119 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]([NH3+])CC2)C[C@H](C)O1 ZINC000724501241 957320767 /nfs/dbraw/zinc/32/07/67/957320767.db2.gz JKLWLUYTUFTJCB-CRWXNKLISA-N 2 1 240.391 2.003 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C(C)(C)c2ccccn2)CC[NH2+]1 ZINC001246307211 972268397 /nfs/dbraw/zinc/26/83/97/972268397.db2.gz DIDCXUHXHFDHLA-NEPJUHHUSA-N 2 1 233.359 2.047 20 0 BEADMP CC(C)([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccn1 ZINC001246311567 972272579 /nfs/dbraw/zinc/27/25/79/972272579.db2.gz PRPDOGRMEBXPAJ-FUNVUKJBSA-N 2 1 245.370 2.189 20 0 BEADMP CSC(C)(C)C[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246357824 972303561 /nfs/dbraw/zinc/30/35/61/972303561.db2.gz MZEDVXCSMWGUSX-GHMZBOCLSA-N 2 1 230.421 2.248 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246365981 972304650 /nfs/dbraw/zinc/30/46/50/972304650.db2.gz WBDZXLQYWUOUOZ-WUHRBBMRSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246365968 972305146 /nfs/dbraw/zinc/30/51/46/972305146.db2.gz WBDZXLQYWUOUOZ-NDBYEHHHSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CC2CC(C)(C)C2)C[NH2+]1 ZINC000706558961 957974960 /nfs/dbraw/zinc/97/49/60/957974960.db2.gz DPUVXSNWBROHCR-PWSUYJOCSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CCc2cccc(F)c2)C[NH2+]1 ZINC000399214748 958568700 /nfs/dbraw/zinc/56/87/00/958568700.db2.gz ZEYQUBBQSHSAOV-RISCZKNCSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CCc2ccsc2)C[NH2+]1 ZINC000399260710 958587614 /nfs/dbraw/zinc/58/76/14/958587614.db2.gz PQYKQSCVJHLSIK-ZYHUDNBSSA-N 2 1 224.373 2.021 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]CCc2ccsc2)C[NH2+]1 ZINC000399260708 958589944 /nfs/dbraw/zinc/58/99/44/958589944.db2.gz PQYKQSCVJHLSIK-JQWIXIFHSA-N 2 1 224.373 2.021 20 0 BEADMP CC(C)C1CCC([NH2+][C@@H]2C[NH2+]C[C@@H]3C[C@@H]32)CC1 ZINC001246502151 972363871 /nfs/dbraw/zinc/36/38/71/972363871.db2.gz GFQUKWSQJYUIOG-NNVWEFMASA-N 2 1 236.403 2.399 20 0 BEADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)CC1CCCCC1 ZINC000693570473 958865429 /nfs/dbraw/zinc/86/54/29/958865429.db2.gz YKILPNYLMLQHPZ-BETUJISGSA-N 2 1 210.365 2.236 20 0 BEADMP CCC(CC)C[N@@H+](CC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693587163 958892032 /nfs/dbraw/zinc/89/20/32/958892032.db2.gz ZLLJQPUWDPMBOO-BETUJISGSA-N 2 1 212.381 2.482 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222232899 972417190 /nfs/dbraw/zinc/41/71/90/972417190.db2.gz YKXBGZNFJAGNPV-STQMWFEESA-N 2 1 210.365 2.251 20 0 BEADMP CC(C)O[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000404655828 959325611 /nfs/dbraw/zinc/32/56/11/959325611.db2.gz SYFNQVDXAMDRSJ-HZSPNIEDSA-N 2 1 240.391 2.003 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)[C@H]1CCCC[C@H]1C ZINC000300356696 959376542 /nfs/dbraw/zinc/37/65/42/959376542.db2.gz OCIMHMAJFFCUSX-MQYQWHSLSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccccn1 ZINC000405250578 959423305 /nfs/dbraw/zinc/42/33/05/959423305.db2.gz JOAJFVOOQFYWJF-CYZMBNFOSA-N 2 1 231.343 2.002 20 0 BEADMP Cc1cccc2c1CC[C@@H]([N@H+]1CC[C@](C)([NH3+])C1)C2 ZINC001246532155 972444744 /nfs/dbraw/zinc/44/47/44/972444744.db2.gz UMHJDLRHOHQENJ-ZBFHGGJFSA-N 2 1 244.382 2.275 20 0 BEADMP CCCOC1CCC([N@H+]2CC[C@@](C)([NH3+])C2)CC1 ZINC001246532209 972450822 /nfs/dbraw/zinc/45/08/22/972450822.db2.gz VXIUUERCORYOMS-JXQTWKCFSA-N 2 1 240.391 2.147 20 0 BEADMP CC[NH2+]CC[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000708799983 959826590 /nfs/dbraw/zinc/82/65/90/959826590.db2.gz TWTDXNCADAKUMG-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP CC[NH2+]CC[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000708799983 959826592 /nfs/dbraw/zinc/82/65/92/959826592.db2.gz TWTDXNCADAKUMG-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC23CCCCC3)O1 ZINC001222402169 972461383 /nfs/dbraw/zinc/46/13/83/972461383.db2.gz ZURAUVYTEBQPDE-LBPRGKRZSA-N 2 1 238.375 2.120 20 0 BEADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC23CCCCC3)O1 ZINC001222402169 972461386 /nfs/dbraw/zinc/46/13/86/972461386.db2.gz ZURAUVYTEBQPDE-LBPRGKRZSA-N 2 1 238.375 2.120 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CCCC(F)(F)C1 ZINC000695114597 960108526 /nfs/dbraw/zinc/10/85/26/960108526.db2.gz WXFVOHQOHVQGMQ-HBNTYKKESA-N 2 1 232.318 2.294 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000695114597 960108533 /nfs/dbraw/zinc/10/85/33/960108533.db2.gz WXFVOHQOHVQGMQ-HBNTYKKESA-N 2 1 232.318 2.294 20 0 BEADMP C[C@@H]1CC[N@@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207479745 960354905 /nfs/dbraw/zinc/35/49/05/960354905.db2.gz MQTKMWBVSSKZLY-GFCCVEGCSA-N 2 1 210.365 2.060 20 0 BEADMP C[C@H]1CC[N@@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207479746 960355873 /nfs/dbraw/zinc/35/58/73/960355873.db2.gz MQTKMWBVSSKZLY-LBPRGKRZSA-N 2 1 210.365 2.060 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCCC2(CC2)C1 ZINC000695717857 960398552 /nfs/dbraw/zinc/39/85/52/960398552.db2.gz RTKWZQSVFPZDFN-RWMBFGLXSA-N 2 1 222.376 2.439 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000695765041 960442842 /nfs/dbraw/zinc/44/28/42/960442842.db2.gz SYBUBAHRFYQUDQ-ZDUSSCGKSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@H]1CCCC[N@H+]1CCCNc1c[nH+]cn1C ZINC001167751966 960541387 /nfs/dbraw/zinc/54/13/87/960541387.db2.gz QEOHOLFDCWGTSB-LBPRGKRZSA-N 2 1 236.363 2.097 20 0 BEADMP CC[N@H+](Cc1ccncc1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000709480742 960620163 /nfs/dbraw/zinc/62/01/63/960620163.db2.gz YHZZEWFVFGDBLW-JSGCOSHPSA-N 2 1 233.359 2.044 20 0 BEADMP CC[N@@H+](Cc1ccncc1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000709480742 960620169 /nfs/dbraw/zinc/62/01/69/960620169.db2.gz YHZZEWFVFGDBLW-JSGCOSHPSA-N 2 1 233.359 2.044 20 0 BEADMP C[C@H]1C[C@@H]([N@@H+]2CCc3ccsc3C2)CC[NH2+]1 ZINC000711872039 962781540 /nfs/dbraw/zinc/78/15/40/962781540.db2.gz CBZZGAOEYDOJLD-JQWIXIFHSA-N 2 1 236.384 2.247 20 0 BEADMP C[C@H]1C[C@@H]([N@H+]2CCc3ccsc3C2)CC[NH2+]1 ZINC000711872039 962781552 /nfs/dbraw/zinc/78/15/52/962781552.db2.gz CBZZGAOEYDOJLD-JQWIXIFHSA-N 2 1 236.384 2.247 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167956146 962804764 /nfs/dbraw/zinc/80/47/64/962804764.db2.gz KEXHEGFVPVOPEF-ITGUQSILSA-N 2 1 210.365 2.059 20 0 BEADMP F[C@@H]1C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167966370 963025972 /nfs/dbraw/zinc/02/59/72/963025972.db2.gz UVFURPDBEOSGAO-ZLMOABSSSA-N 2 1 238.350 2.092 20 0 BEADMP CC[C@@H](C)Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001168000845 963224268 /nfs/dbraw/zinc/22/42/68/963224268.db2.gz XYDWRBOHVMRCKD-SNVBAGLBSA-N 2 1 244.342 2.232 20 0 BEADMP COc1cc[nH+]c(NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC001156380682 963328907 /nfs/dbraw/zinc/32/89/07/963328907.db2.gz IYQSRRHWXIHREL-GFCCVEGCSA-N 2 1 249.358 2.234 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000896719341 963474000 /nfs/dbraw/zinc/47/40/00/963474000.db2.gz CWXFJRMGRIPEEJ-YUELXQCFSA-N 2 1 247.386 2.320 20 0 BEADMP CC(C)(C[NH3+])[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255686966 1169827070 /nfs/dbraw/zinc/82/70/70/1169827070.db2.gz VUKCULUISZDYRC-RKDXNWHRSA-N 2 1 238.297 2.434 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000696804425 963514468 /nfs/dbraw/zinc/51/44/68/963514468.db2.gz YFHXNZKOEAAOIF-LBPRGKRZSA-N 2 1 212.381 2.483 20 0 BEADMP CCCc1[nH+]ccn1C[C@@H]1CCCC[NH2+]C1 ZINC000697002605 963623504 /nfs/dbraw/zinc/62/35/04/963623504.db2.gz YULFFQJEKLJDJP-GFCCVEGCSA-N 2 1 221.348 2.225 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000697043516 963668052 /nfs/dbraw/zinc/66/80/52/963668052.db2.gz WPHMLVHMZILBKJ-AGIUHOORSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H](C)C[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000697043910 963668108 /nfs/dbraw/zinc/66/81/08/963668108.db2.gz XPIYHECUAPIJEY-CHWSQXEVSA-N 2 1 212.381 2.354 20 0 BEADMP CCC[N@H+]1C[C@H]2CN(c3cc(C)cc[nH+]3)C[C@H]2C1 ZINC001157691212 963703815 /nfs/dbraw/zinc/70/38/15/963703815.db2.gz UYJRZYMVJQSTCF-OKILXGFUSA-N 2 1 245.370 2.168 20 0 BEADMP CCC[N@@H+]1C[C@H]2CN(c3cc(C)cc[nH+]3)C[C@H]2C1 ZINC001157691212 963703819 /nfs/dbraw/zinc/70/38/19/963703819.db2.gz UYJRZYMVJQSTCF-OKILXGFUSA-N 2 1 245.370 2.168 20 0 BEADMP CCC[NH+]1C[C@@H]2CN(c3cc(C)cc[nH+]3)C[C@H]2C1 ZINC001157691213 963704967 /nfs/dbraw/zinc/70/49/67/963704967.db2.gz UYJRZYMVJQSTCF-ZIAGYGMSSA-N 2 1 245.370 2.168 20 0 BEADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1(C[NH3+])CC1 ZINC001168167087 963894732 /nfs/dbraw/zinc/89/47/32/963894732.db2.gz LQKNDPJCDKZDDG-SNVBAGLBSA-N 2 1 238.762 2.352 20 0 BEADMP CCO[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000721246950 964087878 /nfs/dbraw/zinc/08/78/78/964087878.db2.gz YADAXWQLWWXNQU-KGLIPLIRSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[N@@H+](CC(C)C)[C@H](C)CC[NH2+]C ZINC000379592953 964769287 /nfs/dbraw/zinc/76/92/87/964769287.db2.gz ZWGBQAFSQCMWMC-GFCCVEGCSA-N 2 1 200.370 2.352 20 0 BEADMP CC1(C)C[NH+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168371546 964941389 /nfs/dbraw/zinc/94/13/89/964941389.db2.gz ODOCCRFEOHEAFL-UHFFFAOYSA-N 2 1 222.376 2.203 20 0 BEADMP Cn1ccc2cc[nH+]c(N[C@H]3CCC[C@H]([NH3+])C3)c21 ZINC001162394882 964954613 /nfs/dbraw/zinc/95/46/13/964954613.db2.gz RLFMRUOSXLMTHQ-RYUDHWBXSA-N 2 1 244.342 2.255 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H](Nc2cccn3cc[nH+]c23)C1 ZINC001162395101 964954766 /nfs/dbraw/zinc/95/47/66/964954766.db2.gz BXEVSMNODQCRAN-GHMZBOCLSA-N 2 1 230.315 2.016 20 0 BEADMP CNc1ccc(NC[C@@H]2CCC[NH2+]C[C@H]2C)c[nH+]1 ZINC001162457677 964984261 /nfs/dbraw/zinc/98/42/61/964984261.db2.gz QMVJHVXMLSIFDV-NEPJUHHUSA-N 2 1 248.374 2.171 20 0 BEADMP Cc1ccc(NC[C@H]2CCC[NH2+]C[C@H]2C)[nH+]c1 ZINC001162456289 964985954 /nfs/dbraw/zinc/98/59/54/964985954.db2.gz WDAAJGWWWIMNRS-CHWSQXEVSA-N 2 1 233.359 2.438 20 0 BEADMP C[C@H]1CCCC[N@H+]1CCCNc1cccc(N)[nH+]1 ZINC000168744478 965120579 /nfs/dbraw/zinc/12/05/79/965120579.db2.gz XZCYSRHYXJNSNU-LBPRGKRZSA-N 2 1 248.374 2.340 20 0 BEADMP c1[nH]c2ccc(N[C@@]34CCC[C@@H]3[NH2+]CC4)cc2[nH+]1 ZINC001162988070 965218760 /nfs/dbraw/zinc/21/87/60/965218760.db2.gz QQHDKDJDJXKIAB-UONOGXRCSA-N 2 1 242.326 2.259 20 0 BEADMP Cc1ccsc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205094777 965731996 /nfs/dbraw/zinc/73/19/96/965731996.db2.gz PFXPRLYEYWGNRK-LLVKDONJSA-N 2 1 224.373 2.370 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)CC1 ZINC001205095200 965739207 /nfs/dbraw/zinc/73/92/07/965739207.db2.gz VEQCZXYVYLYTKO-ZDUSSCGKSA-N 2 1 243.354 2.481 20 0 BEADMP COC(=[NH2+])c1cccc(N(CCC[NH3+])C(C)C)c1 ZINC001164126932 965749347 /nfs/dbraw/zinc/74/93/47/965749347.db2.gz LJCXRTKXXLCOPI-UHFFFAOYSA-N 2 1 249.358 2.222 20 0 BEADMP Cc1cc([N@@H+](CCC[NH3+])C(C)C)ccc1N ZINC001164127215 965750356 /nfs/dbraw/zinc/75/03/56/965750356.db2.gz QRTUGGNAGKWGIN-UHFFFAOYSA-N 2 1 221.348 2.141 20 0 BEADMP Cc1cc([N@H+](CCC[NH3+])C(C)C)ccc1N ZINC001164127215 965750363 /nfs/dbraw/zinc/75/03/63/965750363.db2.gz QRTUGGNAGKWGIN-UHFFFAOYSA-N 2 1 221.348 2.141 20 0 BEADMP C[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1C ZINC000699202794 965804432 /nfs/dbraw/zinc/80/44/32/965804432.db2.gz DTZZHSWJOMJVIT-UUQIVFDPSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@H](Cc1cccc(F)c1)[N@H+](C)C[C@@H](C)C[NH3+] ZINC001168465695 965814613 /nfs/dbraw/zinc/81/46/13/965814613.db2.gz VGVYVYHVFCXZTQ-NWDGAFQWSA-N 2 1 238.350 2.283 20 0 BEADMP Cc1c(O)cccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205110103 965835250 /nfs/dbraw/zinc/83/52/50/965835250.db2.gz OQZLQGSGZLJMDT-CYBMUJFWSA-N 2 1 234.343 2.014 20 0 BEADMP Cc1c(N)cc[nH+]c1NCC[C@@H]1CCC[N@H+](C)C1 ZINC001165261316 966010113 /nfs/dbraw/zinc/01/01/13/966010113.db2.gz NZCNXJUKRFZTRA-LBPRGKRZSA-N 2 1 248.374 2.116 20 0 BEADMP Cc1ccc(NCC[C@@H]2CCC[N@H+](C)C2)[nH+]c1N ZINC001165261014 966013639 /nfs/dbraw/zinc/01/36/39/966013639.db2.gz LJNFKSFAKBTPTN-LBPRGKRZSA-N 2 1 248.374 2.116 20 0 BEADMP COc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(C)c1 ZINC001205140929 966024000 /nfs/dbraw/zinc/02/40/00/966024000.db2.gz SPHCVRKRUDFFKU-GXTWGEPZSA-N 2 1 248.370 2.030 20 0 BEADMP COc1ccc(CCC[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001205171365 966199990 /nfs/dbraw/zinc/19/99/90/966199990.db2.gz OHUFTJJAERHBCA-IUODEOHRSA-N 2 1 248.370 2.049 20 0 BEADMP COc1ccc(CCC[N@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001205171365 966200005 /nfs/dbraw/zinc/20/00/05/966200005.db2.gz OHUFTJJAERHBCA-IUODEOHRSA-N 2 1 248.370 2.049 20 0 BEADMP CCc1ccccc1C[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235986351 966202169 /nfs/dbraw/zinc/20/21/69/966202169.db2.gz DSBYZFMHPASKLN-CABCVRRESA-N 2 1 230.355 2.172 20 0 BEADMP CCc1ccccc1C[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235986351 966202182 /nfs/dbraw/zinc/20/21/82/966202182.db2.gz DSBYZFMHPASKLN-CABCVRRESA-N 2 1 230.355 2.172 20 0 BEADMP CCc1cccc(C)c1C[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235991738 966206970 /nfs/dbraw/zinc/20/69/70/966206970.db2.gz OWFOHASOVAEHCT-HOCLYGCPSA-N 2 1 244.382 2.481 20 0 BEADMP CCc1cccc(C)c1C[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235991738 966206984 /nfs/dbraw/zinc/20/69/84/966206984.db2.gz OWFOHASOVAEHCT-HOCLYGCPSA-N 2 1 244.382 2.481 20 0 BEADMP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccccc1C1CC1)C2 ZINC001235989224 966209151 /nfs/dbraw/zinc/20/91/51/966209151.db2.gz IJGGFZYPSNIDHV-ZBFHGGJFSA-N 2 1 242.366 2.487 20 0 BEADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccccc1C1CC1)C2 ZINC001235989224 966209170 /nfs/dbraw/zinc/20/91/70/966209170.db2.gz IJGGFZYPSNIDHV-ZBFHGGJFSA-N 2 1 242.366 2.487 20 0 BEADMP C([C@H]1CC2CCC1CC2)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000691658370 966293584 /nfs/dbraw/zinc/29/35/84/966293584.db2.gz BZTYKHRDJBCZQD-PEHJNBARSA-N 2 1 248.414 2.497 20 0 BEADMP C([C@H]1CC2CCC1CC2)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000691658370 966293596 /nfs/dbraw/zinc/29/35/96/966293596.db2.gz BZTYKHRDJBCZQD-PEHJNBARSA-N 2 1 248.414 2.497 20 0 BEADMP c1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cs1 ZINC001236314488 966366900 /nfs/dbraw/zinc/36/69/00/966366900.db2.gz OPUXJBVJDQJWGR-BETUJISGSA-N 2 1 236.384 2.180 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+]1CC1Cc2ccccc2C1 ZINC001236421039 966425383 /nfs/dbraw/zinc/42/53/83/966425383.db2.gz RZNVAMQVANYHMS-MRXNPFEDSA-N 2 1 244.382 2.085 20 0 BEADMP CN(C[C@@H]1CC[NH2+]C1)c1ccc2c([nH+]1)CCCC2 ZINC001166955842 966481118 /nfs/dbraw/zinc/48/11/18/966481118.db2.gz HJRXWTMPOHMXRX-GFCCVEGCSA-N 2 1 245.370 2.006 20 0 BEADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(C)c3)C[C@@H]2C1 ZINC001203893544 966814358 /nfs/dbraw/zinc/81/43/58/966814358.db2.gz KKIBSMRFIBVLPR-IYBDPMFKSA-N 2 1 244.382 2.379 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(C)c3)C[C@@H]2C1 ZINC001203893544 966814361 /nfs/dbraw/zinc/81/43/61/966814361.db2.gz KKIBSMRFIBVLPR-IYBDPMFKSA-N 2 1 244.382 2.379 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(C)c3)C[C@@H]2C1 ZINC001203893544 966814363 /nfs/dbraw/zinc/81/43/63/966814363.db2.gz KKIBSMRFIBVLPR-IYBDPMFKSA-N 2 1 244.382 2.379 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001204012822 966851807 /nfs/dbraw/zinc/85/18/07/966851807.db2.gz PAJILZYICLAAEP-NEPJUHHUSA-N 2 1 236.384 2.132 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001204012822 966851812 /nfs/dbraw/zinc/85/18/12/966851812.db2.gz PAJILZYICLAAEP-NEPJUHHUSA-N 2 1 236.384 2.132 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001204012822 966851813 /nfs/dbraw/zinc/85/18/13/966851813.db2.gz PAJILZYICLAAEP-NEPJUHHUSA-N 2 1 236.384 2.132 20 0 BEADMP CC(C)[C@H]1CCC[N@H+]1CCC[NH2+]C1CC1 ZINC000084125753 966927270 /nfs/dbraw/zinc/92/72/70/966927270.db2.gz KWQRWQLHMKVIFH-CYBMUJFWSA-N 2 1 210.365 2.249 20 0 BEADMP CCC[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)[C@@H](C)CC ZINC001204630202 967108259 /nfs/dbraw/zinc/10/82/59/967108259.db2.gz NSRQUTNKJQYLKM-RYUDHWBXSA-N 2 1 228.380 2.221 20 0 BEADMP CCC[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)[C@@H](C)CC ZINC001204630202 967108263 /nfs/dbraw/zinc/10/82/63/967108263.db2.gz NSRQUTNKJQYLKM-RYUDHWBXSA-N 2 1 228.380 2.221 20 0 BEADMP Cc1ccc([C@@H](C)CC[N@@H+]2CCC[NH2+]CC2)o1 ZINC001204654896 967116827 /nfs/dbraw/zinc/11/68/27/967116827.db2.gz BPAZDJGXPWTWNS-LBPRGKRZSA-N 2 1 236.359 2.377 20 0 BEADMP Cc1ccc([C@@H](C)CC[N@H+]2CCC[NH2+]CC2)o1 ZINC001204654896 967116835 /nfs/dbraw/zinc/11/68/35/967116835.db2.gz BPAZDJGXPWTWNS-LBPRGKRZSA-N 2 1 236.359 2.377 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@@](C)([NH3+])C2)CC1 ZINC001204762773 967153872 /nfs/dbraw/zinc/15/38/72/967153872.db2.gz DFNNKZOISLXKRU-MELADBBJSA-N 2 1 222.376 2.402 20 0 BEADMP COc1ccc(CCC[N@@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC001204763460 967155623 /nfs/dbraw/zinc/15/56/23/967155623.db2.gz LERXZHVEZWPGMM-OAHLLOKOSA-N 2 1 248.370 2.051 20 0 BEADMP COc1ccc(CCC[N@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC001204763460 967155640 /nfs/dbraw/zinc/15/56/40/967155640.db2.gz LERXZHVEZWPGMM-OAHLLOKOSA-N 2 1 248.370 2.051 20 0 BEADMP CC/C=C\CC[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC001205000295 967283735 /nfs/dbraw/zinc/28/37/35/967283735.db2.gz CSTVJVWPKFKXFU-DSYXLKISSA-N 2 1 210.365 2.274 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC001205064074 967311047 /nfs/dbraw/zinc/31/10/47/967311047.db2.gz GKYCSTZMSWQDPJ-FZMZJTMJSA-N 2 1 243.354 2.480 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC001205064074 967311054 /nfs/dbraw/zinc/31/10/54/967311054.db2.gz GKYCSTZMSWQDPJ-FZMZJTMJSA-N 2 1 243.354 2.480 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1c[nH]c2ccccc12 ZINC001205064448 967321183 /nfs/dbraw/zinc/32/11/83/967321183.db2.gz NZBLFXFGGFGMPH-AAEUAGOBSA-N 2 1 243.354 2.480 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1c[nH]c2ccccc12 ZINC001205064448 967321188 /nfs/dbraw/zinc/32/11/88/967321188.db2.gz NZBLFXFGGFGMPH-AAEUAGOBSA-N 2 1 243.354 2.480 20 0 BEADMP COC1CCC(C[N@H+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001205094592 967338760 /nfs/dbraw/zinc/33/87/60/967338760.db2.gz NDSOXTXOJHCDRO-MOKVOYLWSA-N 2 1 240.391 2.005 20 0 BEADMP CCOc1cccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205102607 967343984 /nfs/dbraw/zinc/34/39/84/967343984.db2.gz UKJNEMIPWOVCOR-AWEZNQCLSA-N 2 1 248.370 2.399 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc3cc[nH]c32)CC1 ZINC001205109297 967354641 /nfs/dbraw/zinc/35/46/41/967354641.db2.gz DPYPWTDLOONJDJ-AWEZNQCLSA-N 2 1 243.354 2.481 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3ncoc3c2)CC1 ZINC001205117771 967364250 /nfs/dbraw/zinc/36/42/50/967364250.db2.gz UVXCOCGRXCHBDG-GFCCVEGCSA-N 2 1 245.326 2.141 20 0 BEADMP C[C@H]1c2ccccc2CC[N@@H+]1CCCC[NH3+] ZINC001205164928 967408077 /nfs/dbraw/zinc/40/80/77/967408077.db2.gz WNFYGEBJVWXEDP-LBPRGKRZSA-N 2 1 218.344 2.345 20 0 BEADMP CC1=C[C@@H](C)[C@@H](C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)CC1 ZINC001205171103 967409894 /nfs/dbraw/zinc/40/98/94/967409894.db2.gz KRNPMNNURRBRGZ-AAVRWANBSA-N 2 1 222.376 2.400 20 0 BEADMP CC1(C[N@H+]2CCC[C@@](C)([NH3+])CC2)CCOCC1 ZINC001205255022 967444570 /nfs/dbraw/zinc/44/45/70/967444570.db2.gz DVYXUCYTIQATIO-CQSZACIVSA-N 2 1 240.391 2.006 20 0 BEADMP C[C@@H](C[N@H+]1CCC[C@](C)([NH3+])CC1)C(F)(F)F ZINC001205255006 967446639 /nfs/dbraw/zinc/44/66/39/967446639.db2.gz DORUXEYVZNXBLV-UWVGGRQHSA-N 2 1 238.297 2.388 20 0 BEADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccs2)CC1 ZINC001205263861 967456976 /nfs/dbraw/zinc/45/69/76/967456976.db2.gz CXJBDKBLTCVSBV-LBPRGKRZSA-N 2 1 224.373 2.451 20 0 BEADMP COc1cccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205266656 967457985 /nfs/dbraw/zinc/45/79/85/967457985.db2.gz VLZYTCTZSYCTQQ-OAHLLOKOSA-N 2 1 248.370 2.399 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1O ZINC001205288845 967482235 /nfs/dbraw/zinc/48/22/35/967482235.db2.gz PADJCWIQHYAWOY-OAHLLOKOSA-N 2 1 248.370 2.404 20 0 BEADMP Cc1ccc(O)cc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205296024 967498417 /nfs/dbraw/zinc/49/84/17/967498417.db2.gz DWPANXAHJJLRGJ-HNNXBMFYSA-N 2 1 248.370 2.404 20 0 BEADMP CCc1cccc(C[N@@H+]2CC[NH2+]CC[C@@H]2C)c1 ZINC001205332067 967548409 /nfs/dbraw/zinc/54/84/09/967548409.db2.gz NBUSMGAYHPDSGY-ZDUSSCGKSA-N 2 1 232.371 2.433 20 0 BEADMP CCc1cccc(C[N@H+]2CC[NH2+]CC[C@@H]2C)c1 ZINC001205332067 967548417 /nfs/dbraw/zinc/54/84/17/967548417.db2.gz NBUSMGAYHPDSGY-ZDUSSCGKSA-N 2 1 232.371 2.433 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)o1 ZINC001205546470 967692741 /nfs/dbraw/zinc/69/27/41/967692741.db2.gz VYBIBZLSELWPPF-ZDUSSCGKSA-N 2 1 240.322 2.241 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2ccco2)CC[C@H]1C[NH3+] ZINC001205601950 967720362 /nfs/dbraw/zinc/72/03/62/967720362.db2.gz HCMMXMUGGXKSRQ-NEPJUHHUSA-N 2 1 222.332 2.086 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CC[C@H]1C[NH3+] ZINC001205603626 967721517 /nfs/dbraw/zinc/72/15/17/967721517.db2.gz RHXGYYZFKVABAN-HIFRSBDPSA-N 2 1 232.371 2.493 20 0 BEADMP Cc1ncccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205618429 967725339 /nfs/dbraw/zinc/72/53/39/967725339.db2.gz VWFXTYUPXJKEDL-TZMCWYRMSA-N 2 1 247.386 2.197 20 0 BEADMP Cc1cncc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1 ZINC001205617585 967727673 /nfs/dbraw/zinc/72/76/73/967727673.db2.gz LCGYTXNEGSYDRW-ZFWWWQNUSA-N 2 1 247.386 2.197 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)ccn1 ZINC001205617566 967729298 /nfs/dbraw/zinc/72/92/98/967729298.db2.gz KZNMVPWQPNSPCK-DOMZBBRYSA-N 2 1 247.386 2.197 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2ccccc2N)CC[C@H]1C[NH3+] ZINC001205653354 967743356 /nfs/dbraw/zinc/74/33/56/967743356.db2.gz SVVZKTXARLWYFJ-OLZOCXBDSA-N 2 1 247.386 2.076 20 0 BEADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CC=CCC2)CCC1(F)F ZINC001205736237 967809681 /nfs/dbraw/zinc/80/96/81/967809681.db2.gz WVULZPXPEZYLIN-NEPJUHHUSA-N 2 1 244.329 2.259 20 0 BEADMP CCc1ccc[nH+]c1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001162394556 967824785 /nfs/dbraw/zinc/82/47/85/967824785.db2.gz QTCLLUHKFLKHLR-VXGBXAGGSA-N 2 1 219.332 2.326 20 0 BEADMP COCC1([N@@H+](C)CCCCCCC[NH3+])CC1 ZINC000706376056 967915115 /nfs/dbraw/zinc/91/51/15/967915115.db2.gz GMKPVILLQMJUEP-UHFFFAOYSA-N 2 1 228.380 2.006 20 0 BEADMP COC(C)(C)CC[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205981913 967925265 /nfs/dbraw/zinc/92/52/65/967925265.db2.gz JBPQENOEYBIOTN-CHWSQXEVSA-N 2 1 242.407 2.108 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205983997 967928311 /nfs/dbraw/zinc/92/83/11/967928311.db2.gz QUDZGQLMXXNTMC-CHWSQXEVSA-N 2 1 212.381 2.339 20 0 BEADMP Cc1ncccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205991438 967940785 /nfs/dbraw/zinc/94/07/85/967940785.db2.gz ASKJQXBHIASASS-TZMCWYRMSA-N 2 1 247.386 2.197 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccc(O)cc2)CCC[C@H]1C[NH3+] ZINC001205996136 967950722 /nfs/dbraw/zinc/95/07/22/967950722.db2.gz VAGORDGSOJGFMQ-JSGCOSHPSA-N 2 1 248.370 2.199 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cn1 ZINC001206003529 967955424 /nfs/dbraw/zinc/95/54/24/967955424.db2.gz IZYZPZBPWCOLCK-WFASDCNBSA-N 2 1 247.386 2.197 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)nc1 ZINC001206003766 967958169 /nfs/dbraw/zinc/95/81/69/967958169.db2.gz MKJKRTVFOPQJDG-KBPBESRZSA-N 2 1 247.386 2.197 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccccc2N)CCC[C@H]1C[NH3+] ZINC001206026209 967979854 /nfs/dbraw/zinc/97/98/54/967979854.db2.gz QXMJLTNAHKHDIN-OLZOCXBDSA-N 2 1 247.386 2.076 20 0 BEADMP C[C@@H]1C[N@H+](Cc2cccc3ccoc32)C[C@H]1[NH3+] ZINC001206070146 968038831 /nfs/dbraw/zinc/03/88/31/968038831.db2.gz CARLDSQNBYLDCG-ZWNOBZJWSA-N 2 1 230.311 2.212 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2cccc3ccoc32)C[C@H]1[NH3+] ZINC001206070146 968038839 /nfs/dbraw/zinc/03/88/39/968038839.db2.gz CARLDSQNBYLDCG-ZWNOBZJWSA-N 2 1 230.311 2.212 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cs1 ZINC001206214218 968146271 /nfs/dbraw/zinc/14/62/71/968146271.db2.gz XWTCNWDLLMULDH-NWDGAFQWSA-N 2 1 242.363 2.318 20 0 BEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccccn2)CC1 ZINC001206297224 968204654 /nfs/dbraw/zinc/20/46/54/968204654.db2.gz WSWVEQOBRWJSEH-AWEZNQCLSA-N 2 1 233.359 2.033 20 0 BEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccccn2)CC1 ZINC001206297226 968208201 /nfs/dbraw/zinc/20/82/01/968208201.db2.gz WSWVEQOBRWJSEH-CQSZACIVSA-N 2 1 233.359 2.033 20 0 BEADMP Cc1ccnc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206304612 968211955 /nfs/dbraw/zinc/21/19/55/968211955.db2.gz NFFUGLWLJPDSBC-HNNXBMFYSA-N 2 1 247.386 2.341 20 0 BEADMP [NH3+]C[C@@]1(F)CCCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC001206335525 968240915 /nfs/dbraw/zinc/24/09/15/968240915.db2.gz FVYGHRJTNMXQEF-KGLIPLIRSA-N 2 1 240.366 2.496 20 0 BEADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC001206335525 968240929 /nfs/dbraw/zinc/24/09/29/968240929.db2.gz FVYGHRJTNMXQEF-KGLIPLIRSA-N 2 1 240.366 2.496 20 0 BEADMP CC[C@@H](C)C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206336896 968244255 /nfs/dbraw/zinc/24/42/55/968244255.db2.gz OUBWOZCRSBBPLP-VXGBXAGGSA-N 2 1 216.344 2.185 20 0 BEADMP CC[C@@H](C)C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206336896 968244261 /nfs/dbraw/zinc/24/42/61/968244261.db2.gz OUBWOZCRSBBPLP-VXGBXAGGSA-N 2 1 216.344 2.185 20 0 BEADMP CSCCC[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206541995 968365628 /nfs/dbraw/zinc/36/56/28/968365628.db2.gz ORJGTAOOBATCIJ-GFCCVEGCSA-N 2 1 230.421 2.190 20 0 BEADMP COC(C)(C)CC[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206542086 968367518 /nfs/dbraw/zinc/36/75/18/968367518.db2.gz QZBFUMDVKPSBGJ-CQSZACIVSA-N 2 1 242.407 2.252 20 0 BEADMP Cc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)[nH]1 ZINC001206549558 968375111 /nfs/dbraw/zinc/37/51/11/968375111.db2.gz OTQRCAKXRBYHDH-AWEZNQCLSA-N 2 1 235.375 2.274 20 0 BEADMP C[C@@H](C[N@H+]1CCCC[C@@H](C[NH3+])C1)C(F)(F)F ZINC001206606258 968414917 /nfs/dbraw/zinc/41/49/17/968414917.db2.gz IHCKOZFZPYFVED-UWVGGRQHSA-N 2 1 238.297 2.246 20 0 BEADMP CC1(C[NH3+])C[NH+](Cc2cccc3ccncc32)C1 ZINC001206723347 968440176 /nfs/dbraw/zinc/44/01/76/968440176.db2.gz PHFBABKKKNLBIH-UHFFFAOYSA-N 2 1 241.338 2.015 20 0 BEADMP CCC1CC[NH+](CC[C@H]2COC(C)(C)[NH2+]2)CC1 ZINC001206760887 968463003 /nfs/dbraw/zinc/46/30/03/968463003.db2.gz NBHMKVUCMRNYLR-ZDUSSCGKSA-N 2 1 240.391 2.223 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+](C)C2CCC([NH3+])CC2)C1 ZINC000085869179 968508525 /nfs/dbraw/zinc/50/85/25/968508525.db2.gz GLRZLXGJJPLQRQ-XVSSEFHLSA-N 2 1 210.365 2.377 20 0 BEADMP Cc1cccnc1CCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000822112414 968509142 /nfs/dbraw/zinc/50/91/42/968509142.db2.gz UWCDPCIHNKSKKV-UKRRQHHQSA-N 2 1 247.386 2.053 20 0 BEADMP CCCC[C@@H](O)C[NH2+]CCC[N@@H+](C)CCCC ZINC001252108955 968593360 /nfs/dbraw/zinc/59/33/60/968593360.db2.gz UDUQUVIKASKVDV-CQSZACIVSA-N 2 1 244.423 2.249 20 0 BEADMP CC[N@H+]1CCc2cc(C3=CCC[NH2+]C3)ccc2C1 ZINC001240658434 968625907 /nfs/dbraw/zinc/62/59/07/968625907.db2.gz CEJXDSLPRDLPJE-UHFFFAOYSA-N 2 1 242.366 2.441 20 0 BEADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001207436018 968768550 /nfs/dbraw/zinc/76/85/50/968768550.db2.gz RZNCDFWHZQUDPA-ZIAGYGMSSA-N 2 1 222.376 2.108 20 0 BEADMP FC1(F)CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207436530 968770993 /nfs/dbraw/zinc/77/09/93/968770993.db2.gz MVGNFWYFZVTSCZ-UHFFFAOYSA-N 2 1 232.318 2.107 20 0 BEADMP C[N@@H+](CCC1CC[NH+](C)CC1)Cc1ccccn1 ZINC001207480171 968797621 /nfs/dbraw/zinc/79/76/21/968797621.db2.gz VTVSUAKTPROGAY-UHFFFAOYSA-N 2 1 247.386 2.245 20 0 BEADMP C[NH+]1CCC(CC[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001207486036 968799592 /nfs/dbraw/zinc/79/95/92/968799592.db2.gz BSUUNJCADMCQJT-OKILXGFUSA-N 2 1 236.403 2.306 20 0 BEADMP CC(C)[C@H]1CCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000829274395 968824380 /nfs/dbraw/zinc/82/43/80/968824380.db2.gz DCHQHNYNBPYUFW-ZIAGYGMSSA-N 2 1 224.392 2.497 20 0 BEADMP CCCc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)nc(C)[nH+]1 ZINC001154986016 968839264 /nfs/dbraw/zinc/83/92/64/968839264.db2.gz QEVSHZMDBASBEO-WCQYABFASA-N 2 1 248.374 2.419 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207632931 968851807 /nfs/dbraw/zinc/85/18/07/968851807.db2.gz WAAJVZFKAQSXOP-ZNMIVQPWSA-N 2 1 236.403 2.472 20 0 BEADMP C[N@@H+]1CC=C(c2ccc([C@H]3CCC[NH2+]3)cn2)CC1 ZINC001241307573 968969916 /nfs/dbraw/zinc/96/99/16/968969916.db2.gz CPNYPDPZPRYNJY-CQSZACIVSA-N 2 1 243.354 2.225 20 0 BEADMP C[C@@H]1CCC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208102988 968998481 /nfs/dbraw/zinc/99/84/81/968998481.db2.gz JCQUORITNTZYQW-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP COCC[N@@H+](CC1(C)CC[NH+](C)CC1)C(C)C ZINC001208105795 969000102 /nfs/dbraw/zinc/00/01/02/969000102.db2.gz CJBYOYZSZIPLFZ-UHFFFAOYSA-N 2 1 242.407 2.075 20 0 BEADMP C[NH+]1CCC(C)(C[N@H+]2CCCC23CC3)CC1 ZINC001208104534 969000530 /nfs/dbraw/zinc/00/05/30/969000530.db2.gz OBGIOVYMLPSBHI-UHFFFAOYSA-N 2 1 222.376 2.347 20 0 BEADMP CCCC[N@@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208102362 969002061 /nfs/dbraw/zinc/00/20/61/969002061.db2.gz FCVNJXIQLMBQOG-UHFFFAOYSA-N 2 1 212.381 2.450 20 0 BEADMP C[NH+]1CCC(C)(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC1 ZINC001208107600 969002519 /nfs/dbraw/zinc/00/25/19/969002519.db2.gz WOTQTKLWJTTWSV-RWMBFGLXSA-N 2 1 240.366 2.151 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208110580 969005722 /nfs/dbraw/zinc/00/57/22/969005722.db2.gz WFOYGZHMJOAEEC-LBPRGKRZSA-N 2 1 212.381 2.449 20 0 BEADMP C[C@@H]([NH3+])c1ccccc1C1=CCC[N@@H+](C)C1 ZINC001241571912 969067548 /nfs/dbraw/zinc/06/75/48/969067548.db2.gz KJMKBCZWEZKFQO-LLVKDONJSA-N 2 1 216.328 2.425 20 0 BEADMP CC(C)[N@@H+](C)CC1(C[NH+](C)C)CCCC1 ZINC001208181948 969106850 /nfs/dbraw/zinc/10/68/50/969106850.db2.gz CPRCTLLGODAYGI-UHFFFAOYSA-N 2 1 212.381 2.449 20 0 BEADMP CCC(CC)[N@@H+](CC)C[C@@H](O)C[NH+](CC)CC ZINC001253188412 969107526 /nfs/dbraw/zinc/10/75/26/969107526.db2.gz YAAVYMJFCCIXAY-AWEZNQCLSA-N 2 1 244.423 2.200 20 0 BEADMP CCC[N@@H+](C)CC1(C[NH+](C)C)CCCC1 ZINC001208181958 969113412 /nfs/dbraw/zinc/11/34/12/969113412.db2.gz DOFNYVZPMMWZFU-UHFFFAOYSA-N 2 1 212.381 2.450 20 0 BEADMP C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC001208613172 969171386 /nfs/dbraw/zinc/17/13/86/969171386.db2.gz QSGCKUDEIICCIZ-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC001208613172 969171389 /nfs/dbraw/zinc/17/13/89/969171389.db2.gz QSGCKUDEIICCIZ-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)[C@@H](C)C1 ZINC001208613172 969171396 /nfs/dbraw/zinc/17/13/96/969171396.db2.gz QSGCKUDEIICCIZ-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)[C@@H](C)C1 ZINC001208613172 969171400 /nfs/dbraw/zinc/17/14/00/969171400.db2.gz QSGCKUDEIICCIZ-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208609595 969171763 /nfs/dbraw/zinc/17/17/63/969171763.db2.gz UXLGVDQAVFHIOF-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@H]1CCC[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208609595 969171768 /nfs/dbraw/zinc/17/17/68/969171768.db2.gz UXLGVDQAVFHIOF-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@H]1CCC[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC001208609595 969171771 /nfs/dbraw/zinc/17/17/71/969171771.db2.gz UXLGVDQAVFHIOF-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@H]1CCC[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC001208609595 969171774 /nfs/dbraw/zinc/17/17/74/969171774.db2.gz UXLGVDQAVFHIOF-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP CCC[N@@H+]1C[C@@H]2C[NH+](CCC3CC3)C[C@@H]2C1 ZINC001208687127 969195074 /nfs/dbraw/zinc/19/50/74/969195074.db2.gz PRRQCDORRIQYAU-OKILXGFUSA-N 2 1 222.376 2.060 20 0 BEADMP CCC[NH+]1C[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2C1 ZINC001208687127 969195077 /nfs/dbraw/zinc/19/50/77/969195077.db2.gz PRRQCDORRIQYAU-OKILXGFUSA-N 2 1 222.376 2.060 20 0 BEADMP CCC[NH+]1C[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2C1 ZINC001208687127 969195078 /nfs/dbraw/zinc/19/50/78/969195078.db2.gz PRRQCDORRIQYAU-OKILXGFUSA-N 2 1 222.376 2.060 20 0 BEADMP Cc1ccnc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001205994397 969255185 /nfs/dbraw/zinc/25/51/85/969255185.db2.gz LJYSWOTUGOTCTE-KBPBESRZSA-N 2 1 247.386 2.197 20 0 BEADMP CC[N@H+](CCCc1cccnc1)CCC[NH+](C)C ZINC001209185797 969374650 /nfs/dbraw/zinc/37/46/50/969374650.db2.gz RDSMMBVVSSREJL-UHFFFAOYSA-N 2 1 249.402 2.288 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCCC1)C2 ZINC001169079199 969395677 /nfs/dbraw/zinc/39/56/77/969395677.db2.gz JTIDVVUETYEDDX-CLLJXQQHSA-N 2 1 208.349 2.144 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)C1CC1)C2 ZINC001169078321 969397394 /nfs/dbraw/zinc/39/73/94/969397394.db2.gz CUMLVMZIHPJRKQ-CLLJXQQHSA-N 2 1 222.376 2.390 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCC(F)(F)F)C2 ZINC001169079814 969402269 /nfs/dbraw/zinc/40/22/69/969402269.db2.gz LRSBOXJDDFOICL-OWUUHHOZSA-N 2 1 236.281 2.154 20 0 BEADMP Cc1cnccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169080972 969402880 /nfs/dbraw/zinc/40/28/80/969402880.db2.gz OGFNMMTTXFMGHN-QDMKHBRRSA-N 2 1 245.370 2.105 20 0 BEADMP Cc1cnccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169080972 969402881 /nfs/dbraw/zinc/40/28/81/969402881.db2.gz OGFNMMTTXFMGHN-QDMKHBRRSA-N 2 1 245.370 2.105 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CCC1)C2 ZINC001169081562 969403638 /nfs/dbraw/zinc/40/36/38/969403638.db2.gz SZBPMKDWNNTZAS-CLLJXQQHSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001169080450 969404502 /nfs/dbraw/zinc/40/45/02/969404502.db2.gz NMYGGOLFSINENC-REBRKWNGSA-N 2 1 245.370 2.357 20 0 BEADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC001169082478 969404937 /nfs/dbraw/zinc/40/49/37/969404937.db2.gz ZSEGKKPMXQEOKZ-NGFQHRJXSA-N 2 1 245.370 2.357 20 0 BEADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC001169082478 969404943 /nfs/dbraw/zinc/40/49/43/969404943.db2.gz ZSEGKKPMXQEOKZ-NGFQHRJXSA-N 2 1 245.370 2.357 20 0 BEADMP CC1CC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169079751 969405188 /nfs/dbraw/zinc/40/51/88/969405188.db2.gz LAKULXNWGDZRAG-UMHABRDISA-N 2 1 222.376 2.247 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccs1)C2 ZINC001169080941 969405353 /nfs/dbraw/zinc/40/53/53/969405353.db2.gz NXHYULAMQYJKFI-CNDDSTCGSA-N 2 1 236.384 2.463 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@](C)(F)C1)C2 ZINC001169126070 969428150 /nfs/dbraw/zinc/42/81/50/969428150.db2.gz OPUPAIWOSSYJOH-ZOBORPQBSA-N 2 1 240.366 2.436 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@](C)(F)C1)C2 ZINC001169126070 969428155 /nfs/dbraw/zinc/42/81/55/969428155.db2.gz OPUPAIWOSSYJOH-ZOBORPQBSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@](C)(F)C1)C2 ZINC001169126070 969428158 /nfs/dbraw/zinc/42/81/58/969428158.db2.gz OPUPAIWOSSYJOH-ZOBORPQBSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@](C)(F)C1)C2 ZINC001169126070 969428161 /nfs/dbraw/zinc/42/81/61/969428161.db2.gz OPUPAIWOSSYJOH-ZOBORPQBSA-N 2 1 240.366 2.436 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(F)CC1)C2 ZINC001169126244 969433405 /nfs/dbraw/zinc/43/34/05/969433405.db2.gz QNUIMNGMSDQKSB-ITGUQSILSA-N 2 1 226.339 2.046 20 0 BEADMP C[C@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C2(CC2)C1 ZINC001169156738 969472174 /nfs/dbraw/zinc/47/21/74/969472174.db2.gz ZUAXHPHTVAAKBY-MQYQWHSLSA-N 2 1 234.387 2.486 20 0 BEADMP C[C@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C2(CC2)C1 ZINC001169156738 969472185 /nfs/dbraw/zinc/47/21/85/969472185.db2.gz ZUAXHPHTVAAKBY-MQYQWHSLSA-N 2 1 234.387 2.486 20 0 BEADMP C[C@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2(CC2)C1 ZINC001169156738 969472198 /nfs/dbraw/zinc/47/21/98/969472198.db2.gz ZUAXHPHTVAAKBY-MQYQWHSLSA-N 2 1 234.387 2.486 20 0 BEADMP C[C@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2(CC2)C1 ZINC001169156738 969472206 /nfs/dbraw/zinc/47/22/06/969472206.db2.gz ZUAXHPHTVAAKBY-MQYQWHSLSA-N 2 1 234.387 2.486 20 0 BEADMP CC[NH+]1CCC([NH2+]C(C)(C)c2ccncc2)CC1 ZINC001169233136 969513808 /nfs/dbraw/zinc/51/38/08/969513808.db2.gz MPFMJRQYOBCAHT-UHFFFAOYSA-N 2 1 247.386 2.391 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(N)c2)CC1 ZINC001169233545 969515943 /nfs/dbraw/zinc/51/59/43/969515943.db2.gz SQOJGICYWKKWCH-LBPRGKRZSA-N 2 1 247.386 2.404 20 0 BEADMP CCC[N@@H+](CCC[NH+]1CCCCC1)CCOC ZINC001209448705 969518376 /nfs/dbraw/zinc/51/83/76/969518376.db2.gz YXJZYCBQQGQADM-UHFFFAOYSA-N 2 1 242.407 2.221 20 0 BEADMP CC[NH+]1CCC([N@@H+]2C[C@@H](C)CC23CC3)CC1 ZINC001169262158 969520765 /nfs/dbraw/zinc/52/07/65/969520765.db2.gz UJGZLFJXHWYNKZ-LBPRGKRZSA-N 2 1 222.376 2.345 20 0 BEADMP CC[NH+]1CCC([N@H+]2C[C@@H](C)CC23CC3)CC1 ZINC001169262158 969520772 /nfs/dbraw/zinc/52/07/72/969520772.db2.gz UJGZLFJXHWYNKZ-LBPRGKRZSA-N 2 1 222.376 2.345 20 0 BEADMP Nc1cc[nH+]cc1C[N@@H+]1CCC12CCCC2 ZINC001209728489 969579604 /nfs/dbraw/zinc/57/96/04/969579604.db2.gz FQJJFSICHPVSMB-UHFFFAOYSA-N 2 1 217.316 2.013 20 0 BEADMP Nc1cc[nH+]cc1C[N@H+]1CCC12CCCC2 ZINC001209728489 969579609 /nfs/dbraw/zinc/57/96/09/969579609.db2.gz FQJJFSICHPVSMB-UHFFFAOYSA-N 2 1 217.316 2.013 20 0 BEADMP Nc1cc[nH+]cc1C[N@@H+]1CCC2(CCCC2)C1 ZINC001209729861 969584000 /nfs/dbraw/zinc/58/40/00/969584000.db2.gz CWBNOFOPCRDODK-UHFFFAOYSA-N 2 1 231.343 2.260 20 0 BEADMP Nc1cc[nH+]cc1C[N@H+]1CCC2(CCCC2)C1 ZINC001209729861 969584005 /nfs/dbraw/zinc/58/40/05/969584005.db2.gz CWBNOFOPCRDODK-UHFFFAOYSA-N 2 1 231.343 2.260 20 0 BEADMP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC001209730792 969584523 /nfs/dbraw/zinc/58/45/23/969584523.db2.gz IVZHKMCPNYQDBI-BXUZGUMPSA-N 2 1 231.343 2.259 20 0 BEADMP Nc1cc[nH+]cc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001209730792 969584532 /nfs/dbraw/zinc/58/45/32/969584532.db2.gz IVZHKMCPNYQDBI-BXUZGUMPSA-N 2 1 231.343 2.259 20 0 BEADMP c1cn2c([nH+]1)CC[N@H+](C1CCC3(CC3)CC1)CC2 ZINC001254446019 969633470 /nfs/dbraw/zinc/63/34/70/969633470.db2.gz USLCSCYGNAISKC-UHFFFAOYSA-N 2 1 245.370 2.464 20 0 BEADMP c1cn2c([nH+]1)CC[N@@H+](C1CCC3(CC3)CC1)CC2 ZINC001254446019 969633477 /nfs/dbraw/zinc/63/34/77/969633477.db2.gz USLCSCYGNAISKC-UHFFFAOYSA-N 2 1 245.370 2.464 20 0 BEADMP C[C@H]1CCC[N@H+](CC[C@H]2COC(C)(C)[NH2+]2)CC1 ZINC001209844376 969654925 /nfs/dbraw/zinc/65/49/25/969654925.db2.gz BOVQTJFMJGHZMH-STQMWFEESA-N 2 1 240.391 2.223 20 0 BEADMP C[C@H]1CCC[N@@H+](CC[C@H]2COC(C)(C)[NH2+]2)CC1 ZINC001209844376 969654932 /nfs/dbraw/zinc/65/49/32/969654932.db2.gz BOVQTJFMJGHZMH-STQMWFEESA-N 2 1 240.391 2.223 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC001254502595 969669098 /nfs/dbraw/zinc/66/90/98/969669098.db2.gz GSRQPTMSBXOFLW-REWJHTLYSA-N 2 1 222.376 2.249 20 0 BEADMP Cc1cccc(C(=[NH2+])N[C@@H]2CCC[N@H+](C)CC2)c1 ZINC001254509088 969682119 /nfs/dbraw/zinc/68/21/19/969682119.db2.gz VWGMMSRFYFEABF-CQSZACIVSA-N 2 1 245.370 2.394 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+]C(C)(C)c2ccncc2)CC1 ZINC001254510909 969683500 /nfs/dbraw/zinc/68/35/00/969683500.db2.gz ZDMOUHQOKJDROV-AWEZNQCLSA-N 2 1 247.386 2.391 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+]C(C)(C)c2ccncc2)CC1 ZINC001254510910 969683859 /nfs/dbraw/zinc/68/38/59/969683859.db2.gz ZDMOUHQOKJDROV-CQSZACIVSA-N 2 1 247.386 2.391 20 0 BEADMP C[C@H]1C[C@@H](CF)[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254516380 969690971 /nfs/dbraw/zinc/69/09/71/969690971.db2.gz MDTGXOWJOBXZAY-AVGNSLFASA-N 2 1 228.355 2.151 20 0 BEADMP C[C@H]1C[C@@H](CF)[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254516380 969690974 /nfs/dbraw/zinc/69/09/74/969690974.db2.gz MDTGXOWJOBXZAY-AVGNSLFASA-N 2 1 228.355 2.151 20 0 BEADMP C[C@H]1C[C@@H](CF)[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254516380 969690976 /nfs/dbraw/zinc/69/09/76/969690976.db2.gz MDTGXOWJOBXZAY-AVGNSLFASA-N 2 1 228.355 2.151 20 0 BEADMP C[N@@H+](C1CC(F)(F)C1)[C@@H]1CCC[NH+](C)CC1 ZINC001254515841 969691924 /nfs/dbraw/zinc/69/19/24/969691924.db2.gz DXEIFRFNCRHOJY-SNVBAGLBSA-N 2 1 232.318 2.200 20 0 BEADMP C[NH+](C1CC(F)(F)C1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254515841 969691931 /nfs/dbraw/zinc/69/19/31/969691931.db2.gz DXEIFRFNCRHOJY-SNVBAGLBSA-N 2 1 232.318 2.200 20 0 BEADMP C[NH+](C1CC(F)(F)C1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254515841 969691938 /nfs/dbraw/zinc/69/19/38/969691938.db2.gz DXEIFRFNCRHOJY-SNVBAGLBSA-N 2 1 232.318 2.200 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2CCC3(CC3)CC2)CC1 ZINC001254518853 969696024 /nfs/dbraw/zinc/69/60/24/969696024.db2.gz FAAWJHZONVLOHF-ZDUSSCGKSA-N 2 1 222.376 2.347 20 0 BEADMP C[N@@H+](CC1CC(F)(F)C1)[C@@H]1CCC[NH+](C)CC1 ZINC001254524366 969711492 /nfs/dbraw/zinc/71/14/92/969711492.db2.gz AZXYFPOIXHHXCC-GFCCVEGCSA-N 2 1 246.345 2.448 20 0 BEADMP C[NH+](CC1CC(F)(F)C1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254524366 969711500 /nfs/dbraw/zinc/71/15/00/969711500.db2.gz AZXYFPOIXHHXCC-GFCCVEGCSA-N 2 1 246.345 2.448 20 0 BEADMP C[NH+](CC1CC(F)(F)C1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254524366 969711509 /nfs/dbraw/zinc/71/15/09/969711509.db2.gz AZXYFPOIXHHXCC-GFCCVEGCSA-N 2 1 246.345 2.448 20 0 BEADMP C[N@@H+](C[C@H]1CC1(C)C)[C@@H]1CCC[NH+](C)CC1 ZINC001254524847 969714404 /nfs/dbraw/zinc/71/44/04/969714404.db2.gz CVKZBRJJLWACKF-CHWSQXEVSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+](C[C@H]1CC1(C)C)[C@@H]1CCC[N@H+](C)CC1 ZINC001254524847 969714409 /nfs/dbraw/zinc/71/44/09/969714409.db2.gz CVKZBRJJLWACKF-CHWSQXEVSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+](C[C@H]1CC1(C)C)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254524847 969714415 /nfs/dbraw/zinc/71/44/15/969714415.db2.gz CVKZBRJJLWACKF-CHWSQXEVSA-N 2 1 224.392 2.449 20 0 BEADMP Cc1ncccc1C[N@@H+](C)[C@H]1CCC[NH+](C)CC1 ZINC001254529224 969729274 /nfs/dbraw/zinc/72/92/74/969729274.db2.gz FKANMLZLJKKPBA-HNNXBMFYSA-N 2 1 247.386 2.306 20 0 BEADMP Cc1ncccc1C[N@H+](C)[C@H]1CCC[NH+](C)CC1 ZINC001254529224 969729280 /nfs/dbraw/zinc/72/92/80/969729280.db2.gz FKANMLZLJKKPBA-HNNXBMFYSA-N 2 1 247.386 2.306 20 0 BEADMP Cc1ncccc1C[NH+](C)[C@H]1CCC[N@H+](C)CC1 ZINC001254529224 969729291 /nfs/dbraw/zinc/72/92/91/969729291.db2.gz FKANMLZLJKKPBA-HNNXBMFYSA-N 2 1 247.386 2.306 20 0 BEADMP Cc1ncccc1C[NH+](C)[C@H]1CCC[N@@H+](C)CC1 ZINC001254529224 969729297 /nfs/dbraw/zinc/72/92/97/969729297.db2.gz FKANMLZLJKKPBA-HNNXBMFYSA-N 2 1 247.386 2.306 20 0 BEADMP Cc1ccc(C[N@@H+](C)[C@H]2CCC[NH+](C)CC2)cn1 ZINC001254532646 969730294 /nfs/dbraw/zinc/73/02/94/969730294.db2.gz VTBHJYJCVNVIEG-HNNXBMFYSA-N 2 1 247.386 2.306 20 0 BEADMP Cc1ccc(C[N@H+](C)[C@H]2CCC[NH+](C)CC2)cn1 ZINC001254532646 969730297 /nfs/dbraw/zinc/73/02/97/969730297.db2.gz VTBHJYJCVNVIEG-HNNXBMFYSA-N 2 1 247.386 2.306 20 0 BEADMP Cc1ccc(C[NH+](C)[C@H]2CCC[N@H+](C)CC2)cn1 ZINC001254532646 969730302 /nfs/dbraw/zinc/73/03/02/969730302.db2.gz VTBHJYJCVNVIEG-HNNXBMFYSA-N 2 1 247.386 2.306 20 0 BEADMP Cc1ccc(C[NH+](C)[C@H]2CCC[N@@H+](C)CC2)cn1 ZINC001254532646 969730308 /nfs/dbraw/zinc/73/03/08/969730308.db2.gz VTBHJYJCVNVIEG-HNNXBMFYSA-N 2 1 247.386 2.306 20 0 BEADMP CCc1ccc(NCC[C@H]2CCC[NH2+]2)[nH+]c1 ZINC001169568478 969767392 /nfs/dbraw/zinc/76/73/92/969767392.db2.gz XTGWCUOIHIPFRX-GFCCVEGCSA-N 2 1 219.332 2.198 20 0 BEADMP CC(C)(C)C(=[NH2+])N[C@H]1CC2CC[NH+](CC2)C1 ZINC001254833416 969797065 /nfs/dbraw/zinc/79/70/65/969797065.db2.gz PLLSLMZLMRIRTP-NSHDSACASA-N 2 1 223.364 2.084 20 0 BEADMP Cc1ccc(NCC23CC[NH+](CC2)CC3)[nH+]c1 ZINC001169793527 969861271 /nfs/dbraw/zinc/86/12/71/969861271.db2.gz UZUOUDTZOQOPQE-UHFFFAOYSA-N 2 1 231.343 2.288 20 0 BEADMP Cn1cc[nH+]c1NC1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001210706008 970002627 /nfs/dbraw/zinc/00/26/27/970002627.db2.gz YBDYVGZMKIBFSJ-CYBMUJFWSA-N 2 1 246.358 2.364 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@H]1CCOC(C)(C)C1 ZINC001255527566 970291432 /nfs/dbraw/zinc/29/14/32/970291432.db2.gz ORHFMYIINMMQSU-LBPRGKRZSA-N 2 1 228.380 2.005 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001170134631 970405561 /nfs/dbraw/zinc/40/55/61/970405561.db2.gz CUMNUOVRIVWWJU-YIYPIFLZSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C1 ZINC001170134631 970405567 /nfs/dbraw/zinc/40/55/67/970405567.db2.gz CUMNUOVRIVWWJU-YIYPIFLZSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C1 ZINC001170134631 970405575 /nfs/dbraw/zinc/40/55/75/970405575.db2.gz CUMNUOVRIVWWJU-YIYPIFLZSA-N 2 1 222.376 2.059 20 0 BEADMP CCC[NH+](C)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255673911 970450439 /nfs/dbraw/zinc/45/04/39/970450439.db2.gz HUMLTVCUPHKAES-FUNVUKJBSA-N 2 1 210.365 2.344 20 0 BEADMP CCC[N@H+](C)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255673911 970450426 /nfs/dbraw/zinc/45/04/26/970450426.db2.gz HUMLTVCUPHKAES-FUNVUKJBSA-N 2 1 210.365 2.344 20 0 BEADMP CCC[N@@H+](C)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255673911 970450429 /nfs/dbraw/zinc/45/04/29/970450429.db2.gz HUMLTVCUPHKAES-FUNVUKJBSA-N 2 1 210.365 2.344 20 0 BEADMP CCC[NH+](C)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255673911 970450435 /nfs/dbraw/zinc/45/04/35/970450435.db2.gz HUMLTVCUPHKAES-FUNVUKJBSA-N 2 1 210.365 2.344 20 0 BEADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccno1 ZINC001255675744 970453270 /nfs/dbraw/zinc/45/32/70/970453270.db2.gz GSBFTRLSJOVJCQ-WODVXLOZSA-N 2 1 249.358 2.341 20 0 BEADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccno1 ZINC001255675744 970453281 /nfs/dbraw/zinc/45/32/81/970453281.db2.gz GSBFTRLSJOVJCQ-WODVXLOZSA-N 2 1 249.358 2.341 20 0 BEADMP CC(C)CC[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000063074077 970469861 /nfs/dbraw/zinc/46/98/61/970469861.db2.gz DCDOTLHQEPXSDA-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP CC(C)CC[NH2+]CC[N@H+]1CCCC1(C)C ZINC000063074077 970469879 /nfs/dbraw/zinc/46/98/79/970469879.db2.gz DCDOTLHQEPXSDA-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@H]1C[C@H]([N@@H+](CCC[NH3+])C(C)C)CCO1 ZINC001170171045 970542034 /nfs/dbraw/zinc/54/20/34/970542034.db2.gz OOUKXELEWBAUAR-OLZOCXBDSA-N 2 1 228.380 2.003 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CCO[C@H](CC)C1 ZINC001170172489 970564003 /nfs/dbraw/zinc/56/40/03/970564003.db2.gz ZQBJNKWRRPRBPD-CHWSQXEVSA-N 2 1 228.380 2.005 20 0 BEADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)CCO1 ZINC001170171747 970567780 /nfs/dbraw/zinc/56/77/80/970567780.db2.gz UDTRZWWFLCSWJE-MGPQQGTHSA-N 2 1 240.391 2.018 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[NH+]1CC([C@H](C)OC)C1 ZINC001255970754 970607211 /nfs/dbraw/zinc/60/72/11/970607211.db2.gz FPBUHCQEOPRMSD-STQMWFEESA-N 2 1 242.407 2.074 20 0 BEADMP Cc1cc[nH+]c(C)c1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000304583205 970616521 /nfs/dbraw/zinc/61/65/21/970616521.db2.gz STADDPMCWKKBNQ-RYUDHWBXSA-N 2 1 219.332 2.380 20 0 BEADMP C[NH+]1CCC([N@@H+]2CCC[C@@](C)(F)CC2)CC1 ZINC001256202795 970682903 /nfs/dbraw/zinc/68/29/03/970682903.db2.gz MDWQFXPCCCKXEN-CYBMUJFWSA-N 2 1 228.355 2.295 20 0 BEADMP C[NH+]1CCC([N@H+]2CCC[C@@](C)(F)CC2)CC1 ZINC001256202795 970682914 /nfs/dbraw/zinc/68/29/14/970682914.db2.gz MDWQFXPCCCKXEN-CYBMUJFWSA-N 2 1 228.355 2.295 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)CC1 ZINC001256196699 970687845 /nfs/dbraw/zinc/68/78/45/970687845.db2.gz VUFIAMZEZGWTFS-UBHSHLNASA-N 2 1 222.376 2.249 20 0 BEADMP C[NH+]1CCC([NH2+]C(C)(C)Cc2ccccn2)CC1 ZINC001256198993 970696820 /nfs/dbraw/zinc/69/68/20/970696820.db2.gz FMJYWYRBGVLQQG-UHFFFAOYSA-N 2 1 247.386 2.087 20 0 BEADMP CC(C)CC[C@@H](C)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001256357584 970732965 /nfs/dbraw/zinc/73/29/65/970732965.db2.gz IBYATORXIZULOB-VXGBXAGGSA-N 2 1 200.370 2.338 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cnc(Cl)c(C)c1 ZINC001327416113 972572234 /nfs/dbraw/zinc/57/22/34/972572234.db2.gz ODGRXPUNZBWHKD-JTQLQIEISA-N 2 1 241.766 2.131 20 0 BEADMP CCCC(CCC)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246541388 972573606 /nfs/dbraw/zinc/57/36/06/972573606.db2.gz HHUPWKACQGGYGM-CQSZACIVSA-N 2 1 242.407 2.131 20 0 BEADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCC[C@@H]([NH3+])CC3)C[C@@H]21 ZINC001246543050 972588779 /nfs/dbraw/zinc/58/87/79/972588779.db2.gz RTNFVVZKGHKUHD-LPWJVIDDSA-N 2 1 222.376 2.234 20 0 BEADMP CC(C)OCC[C@H](C)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246546059 972663107 /nfs/dbraw/zinc/66/31/07/972663107.db2.gz MOGGUVIZJRYFCC-AVGNSLFASA-N 2 1 228.380 2.002 20 0 BEADMP CC(C)OCC[C@H](C)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246546059 972663113 /nfs/dbraw/zinc/66/31/13/972663113.db2.gz MOGGUVIZJRYFCC-AVGNSLFASA-N 2 1 228.380 2.002 20 0 BEADMP CCOCC[C@@H](C)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246548000 972678659 /nfs/dbraw/zinc/67/86/59/972678659.db2.gz DXPWUPNHGZJTIH-OLZOCXBDSA-N 2 1 228.380 2.005 20 0 BEADMP CCCCC[C@@H](C)[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246557967 972780979 /nfs/dbraw/zinc/78/09/79/972780979.db2.gz JSJXMZXCRKBYJE-KGLIPLIRSA-N 2 1 242.407 2.131 20 0 BEADMP CC[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)C1 ZINC001246575175 972874430 /nfs/dbraw/zinc/87/44/30/972874430.db2.gz ZQUKMGZOXRBUPA-YVECIDJPSA-N 2 1 228.355 2.326 20 0 BEADMP CC[C@@H]1CC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)C1 ZINC001246575175 972874431 /nfs/dbraw/zinc/87/44/31/972874431.db2.gz ZQUKMGZOXRBUPA-YVECIDJPSA-N 2 1 228.355 2.326 20 0 BEADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCCSC2)C1 ZINC001246583907 972951466 /nfs/dbraw/zinc/95/14/66/972951466.db2.gz LRGMKILJWLNENE-OLZOCXBDSA-N 2 1 242.432 2.333 20 0 BEADMP CC1CCC([N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001246594602 973002807 /nfs/dbraw/zinc/00/28/07/973002807.db2.gz XBLGPJXENCJJDT-TUUUFIMRSA-N 2 1 228.355 2.326 20 0 BEADMP CC1CCC([N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001246594602 973002824 /nfs/dbraw/zinc/00/28/24/973002824.db2.gz XBLGPJXENCJJDT-TUUUFIMRSA-N 2 1 228.355 2.326 20 0 BEADMP CC1(C)CC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)C1 ZINC001246595957 973005717 /nfs/dbraw/zinc/00/57/17/973005717.db2.gz YEOJRLSYVYPSRK-SDDRHHMPSA-N 2 1 228.355 2.326 20 0 BEADMP CC1(C)CC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)C1 ZINC001246595957 973005742 /nfs/dbraw/zinc/00/57/42/973005742.db2.gz YEOJRLSYVYPSRK-SDDRHHMPSA-N 2 1 228.355 2.326 20 0 BEADMP C[C@@H](CC(F)(F)F)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246596750 973015375 /nfs/dbraw/zinc/01/53/75/973015375.db2.gz VJLKEMZPRRWOHH-UWVGGRQHSA-N 2 1 238.297 2.388 20 0 BEADMP CCCC[C@@H](CC(C)C)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246615334 973035003 /nfs/dbraw/zinc/03/50/03/973035003.db2.gz SDKPYTVPDQFSCP-ZDUSSCGKSA-N 2 1 224.392 2.497 20 0 BEADMP Fc1ccccc1[C@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC001246808124 973111640 /nfs/dbraw/zinc/11/16/40/973111640.db2.gz RIGHAWPWIUIWPQ-LBPRGKRZSA-N 2 1 248.345 2.367 20 0 BEADMP CC(C)CC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246843629 973143551 /nfs/dbraw/zinc/14/35/51/973143551.db2.gz VGIDRHXLOPFURM-YIYPIFLZSA-N 2 1 224.392 2.480 20 0 BEADMP CSC(C)(C)C[C@H](C)[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246854705 973174348 /nfs/dbraw/zinc/17/43/48/973174348.db2.gz QQWKUJGHLLWIBQ-GMXVVIOVSA-N 2 1 242.432 2.330 20 0 BEADMP CC[C@H](CC(C)C)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246867519 973235631 /nfs/dbraw/zinc/23/56/31/973235631.db2.gz OMZYGJCPVPXRMU-MELADBBJSA-N 2 1 224.392 2.495 20 0 BEADMP CCOc1ccccc1C[NH2+]CC[C@@H](C)[NH2+]C ZINC001328677495 973262253 /nfs/dbraw/zinc/26/22/53/973262253.db2.gz PYWXEISEOCRLDG-GFCCVEGCSA-N 2 1 236.359 2.173 20 0 BEADMP C1C[C@H]2CC([NH+]3CC4CCC(CC4)C3)C[C@@H]1[NH2+]2 ZINC001246879799 973286674 /nfs/dbraw/zinc/28/66/74/973286674.db2.gz CYOMTGHEOXXYOX-QRFUTXMCSA-N 2 1 234.387 2.391 20 0 BEADMP CC(C)(C)C1CCC([N@H+]2C[C@@H]3C[NH2+][C@@H]3C2)CC1 ZINC001246928468 973545210 /nfs/dbraw/zinc/54/52/10/973545210.db2.gz ZYOPJKSKJDISFO-GFJIZPEISA-N 2 1 236.403 2.495 20 0 BEADMP Cc1cccc(N2CCC[C@@]3(CC[N@@H+](C)C3)C2)[nH+]1 ZINC001276980574 973773162 /nfs/dbraw/zinc/77/31/62/973773162.db2.gz CDOMBMRKCCXJEE-HNNXBMFYSA-N 2 1 245.370 2.312 20 0 BEADMP Cc1cccc(N2CCC[C@@]3(CC[N@H+](C)C3)C2)[nH+]1 ZINC001276980574 973773167 /nfs/dbraw/zinc/77/31/67/973773167.db2.gz CDOMBMRKCCXJEE-HNNXBMFYSA-N 2 1 245.370 2.312 20 0 BEADMP Cc1cccc(N2CCC[C@]3(CC[N@@H+](C)C3)C2)[nH+]1 ZINC001276980577 973773791 /nfs/dbraw/zinc/77/37/91/973773791.db2.gz CDOMBMRKCCXJEE-OAHLLOKOSA-N 2 1 245.370 2.312 20 0 BEADMP Cc1cccc(N2CCC[C@]3(CC[N@H+](C)C3)C2)[nH+]1 ZINC001276980577 973773796 /nfs/dbraw/zinc/77/37/96/973773796.db2.gz CDOMBMRKCCXJEE-OAHLLOKOSA-N 2 1 245.370 2.312 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+]CC1=Cc2ccccc2OC1 ZINC001329596428 973847091 /nfs/dbraw/zinc/84/70/91/973847091.db2.gz OCIABTQQRUQDRM-LBPRGKRZSA-N 2 1 246.354 2.050 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1CC1)C2 ZINC001172100134 974343618 /nfs/dbraw/zinc/34/36/18/974343618.db2.gz NMXBIFCJCQQITD-CLLJXQQHSA-N 2 1 208.349 2.001 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)CC1(OC)CCC1 ZINC001330638003 974375596 /nfs/dbraw/zinc/37/55/96/974375596.db2.gz CYWNIELSNSNZPB-UHFFFAOYSA-N 2 1 242.407 2.219 20 0 BEADMP C[C@@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113187 974378884 /nfs/dbraw/zinc/37/88/84/974378884.db2.gz HHUOXMQZZGKFEF-YIYPIFLZSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@@H]1CCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113187 974378889 /nfs/dbraw/zinc/37/88/89/974378889.db2.gz HHUOXMQZZGKFEF-YIYPIFLZSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@@H]1CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113187 974378893 /nfs/dbraw/zinc/37/88/93/974378893.db2.gz HHUOXMQZZGKFEF-YIYPIFLZSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@@H]1CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113187 974378898 /nfs/dbraw/zinc/37/88/98/974378898.db2.gz HHUOXMQZZGKFEF-YIYPIFLZSA-N 2 1 222.376 2.486 20 0 BEADMP CC[C@H](COC)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115203 974382369 /nfs/dbraw/zinc/38/23/69/974382369.db2.gz RZPJPGUREFEPIF-SYQHCUMBSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@H](COC)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115203 974382380 /nfs/dbraw/zinc/38/23/80/974382380.db2.gz RZPJPGUREFEPIF-SYQHCUMBSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]1CCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113185 974385793 /nfs/dbraw/zinc/38/57/93/974385793.db2.gz HHUOXMQZZGKFEF-MQYQWHSLSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@@H]1CCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113185 974385805 /nfs/dbraw/zinc/38/58/05/974385805.db2.gz HHUOXMQZZGKFEF-MQYQWHSLSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@@H]1CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113185 974385815 /nfs/dbraw/zinc/38/58/15/974385815.db2.gz HHUOXMQZZGKFEF-MQYQWHSLSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@@H]1CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113185 974385821 /nfs/dbraw/zinc/38/58/21/974385821.db2.gz HHUOXMQZZGKFEF-MQYQWHSLSA-N 2 1 222.376 2.486 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](F)C1)C2 ZINC001172121437 974390542 /nfs/dbraw/zinc/39/05/42/974390542.db2.gz QNZIPAAUMNJECI-NDBYEHHHSA-N 2 1 226.339 2.046 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H](F)C1)C2 ZINC001172121437 974390549 /nfs/dbraw/zinc/39/05/49/974390549.db2.gz QNZIPAAUMNJECI-NDBYEHHHSA-N 2 1 226.339 2.046 20 0 BEADMP CC[C@@H](C)[N@H+](C)C1CC[NH+](CCCOC)CC1 ZINC001172251702 974512898 /nfs/dbraw/zinc/51/28/98/974512898.db2.gz VHBSNWRNRQCMPY-CYBMUJFWSA-N 2 1 242.407 2.218 20 0 BEADMP CC[C@@H](C)[N@@H+](C)C1CC[NH+](CCCOC)CC1 ZINC001172251702 974512903 /nfs/dbraw/zinc/51/29/03/974512903.db2.gz VHBSNWRNRQCMPY-CYBMUJFWSA-N 2 1 242.407 2.218 20 0 BEADMP C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C[C@@H]1C ZINC001172380126 974585186 /nfs/dbraw/zinc/58/51/86/974585186.db2.gz RHQBLNLGDJNJDQ-QKGCVVFFSA-N 2 1 236.403 2.305 20 0 BEADMP C[C@@H]1CC[C@@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C[C@@H]1C ZINC001172380126 974585197 /nfs/dbraw/zinc/58/51/97/974585197.db2.gz RHQBLNLGDJNJDQ-QKGCVVFFSA-N 2 1 236.403 2.305 20 0 BEADMP C[C@@H]1CC[C@@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C[C@@H]1C ZINC001172380126 974585201 /nfs/dbraw/zinc/58/52/01/974585201.db2.gz RHQBLNLGDJNJDQ-QKGCVVFFSA-N 2 1 236.403 2.305 20 0 BEADMP CC[C@@H](C)OCC[C@@H](C)[N@@H+](C)CCC[NH+](C)C ZINC001172334379 974597895 /nfs/dbraw/zinc/59/78/95/974597895.db2.gz BPBPMQHVHDIOQW-ZIAGYGMSSA-N 2 1 244.423 2.464 20 0 BEADMP CCOCC[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001172410559 974674125 /nfs/dbraw/zinc/67/41/25/974674125.db2.gz HUPCLGUULQNZKY-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CC[C@@H](CC(C)C)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001172384477 974728314 /nfs/dbraw/zinc/72/83/14/974728314.db2.gz INZHPCCJMQYRDC-OLZOCXBDSA-N 2 1 212.381 2.352 20 0 BEADMP CC[C@H](CC(C)C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001172384478 974729122 /nfs/dbraw/zinc/72/91/22/974729122.db2.gz INZHPCCJMQYRDC-QWHCGFSZSA-N 2 1 212.381 2.352 20 0 BEADMP CC[C@@H](CC(C)C)n1c[nH+]cc1CC[NH3+] ZINC001172387211 974732775 /nfs/dbraw/zinc/73/27/75/974732775.db2.gz UJGUPAHUGHAIQC-NSHDSACASA-N 2 1 209.337 2.382 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccccc1OC ZINC001331832639 974830451 /nfs/dbraw/zinc/83/04/51/974830451.db2.gz GAVVLSCUZWGNRK-NWDGAFQWSA-N 2 1 236.359 2.344 20 0 BEADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001172923979 974970739 /nfs/dbraw/zinc/97/07/39/974970739.db2.gz OWKCIVFUIUJUFF-HZSPNIEDSA-N 2 1 240.391 2.018 20 0 BEADMP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)C1 ZINC001172923978 974971704 /nfs/dbraw/zinc/97/17/04/974971704.db2.gz OWKCIVFUIUJUFF-BFHYXJOUSA-N 2 1 240.391 2.018 20 0 BEADMP CC[C@@H]1CC[C@H]([N@@H+](C)CCC[NH+](C)C)C1 ZINC001173275529 975085473 /nfs/dbraw/zinc/08/54/73/975085473.db2.gz VUDICFJFSNUHIK-OLZOCXBDSA-N 2 1 212.381 2.449 20 0 BEADMP CCCC[C@H](CC(C)C)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001173251038 975089282 /nfs/dbraw/zinc/08/92/82/975089282.db2.gz YDRWUODHYCFCPD-ZIAGYGMSSA-N 2 1 242.407 2.251 20 0 BEADMP CC[C@H]1CC[C@H](n2c(C)c[nH+]c2CC[NH3+])C1 ZINC001173265816 975128847 /nfs/dbraw/zinc/12/88/47/975128847.db2.gz VZEOJZITAVBWQF-RYUDHWBXSA-N 2 1 221.348 2.444 20 0 BEADMP CC[C@@H]1CC[C@@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC001173295149 975176123 /nfs/dbraw/zinc/17/61/23/975176123.db2.gz PZNJVIDUNBCBHR-YIYPIFLZSA-N 2 1 222.376 2.059 20 0 BEADMP CC[C@@H]1CC[C@@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC001173295149 975176132 /nfs/dbraw/zinc/17/61/32/975176132.db2.gz PZNJVIDUNBCBHR-YIYPIFLZSA-N 2 1 222.376 2.059 20 0 BEADMP CCSC[C@@H](C)[NH+]1CCC([NH+](C)C)CC1 ZINC001173297319 975183016 /nfs/dbraw/zinc/18/30/16/975183016.db2.gz DKXFEIAPBKVXFI-LLVKDONJSA-N 2 1 230.421 2.154 20 0 BEADMP CCSC[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001173311911 975224911 /nfs/dbraw/zinc/22/49/11/975224911.db2.gz QZDQVNBTCOLVNS-QWHCGFSZSA-N 2 1 242.432 2.156 20 0 BEADMP CCSC[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001173311911 975224916 /nfs/dbraw/zinc/22/49/16/975224916.db2.gz QZDQVNBTCOLVNS-QWHCGFSZSA-N 2 1 242.432 2.156 20 0 BEADMP CC[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001173278791 975235642 /nfs/dbraw/zinc/23/56/42/975235642.db2.gz FPGXTCFGWRPXFZ-APIJFGDWSA-N 2 1 236.403 2.449 20 0 BEADMP CC[C@@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C1 ZINC001173278791 975235647 /nfs/dbraw/zinc/23/56/47/975235647.db2.gz FPGXTCFGWRPXFZ-APIJFGDWSA-N 2 1 236.403 2.449 20 0 BEADMP CC[C@@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C1 ZINC001173278791 975235657 /nfs/dbraw/zinc/23/56/57/975235657.db2.gz FPGXTCFGWRPXFZ-APIJFGDWSA-N 2 1 236.403 2.449 20 0 BEADMP CC[N@H+]1CC[C@@H](n2ccc3cc(C[NH3+])ccc32)C1 ZINC001173347954 975287815 /nfs/dbraw/zinc/28/78/15/975287815.db2.gz KMVUDFOWLGAZAC-CQSZACIVSA-N 2 1 243.354 2.367 20 0 BEADMP CC[N@H+]1CC[C@H](n2ccc3ccc(C[NH3+])cc32)C1 ZINC001173351811 975299857 /nfs/dbraw/zinc/29/98/57/975299857.db2.gz ZGOMBODPHKKULZ-AWEZNQCLSA-N 2 1 243.354 2.367 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCC[C@H](F)C1 ZINC001332897840 975312636 /nfs/dbraw/zinc/31/26/36/975312636.db2.gz LPYNKALKDMUNLU-BMNJFWBPSA-N 2 1 240.366 2.197 20 0 BEADMP C[N@H+]1CCC[C@@H]2CN(c3cc[nH+]cc3)CC[C@H]21 ZINC001336391780 977656195 /nfs/dbraw/zinc/65/61/95/977656195.db2.gz NFGAWVRZIADVHU-TZMCWYRMSA-N 2 1 231.343 2.002 20 0 BEADMP CCc1ccc(N[C@H](C)CC[NH+](C)C)[nH+]c1 ZINC001336490897 977718647 /nfs/dbraw/zinc/71/86/47/977718647.db2.gz JSFWQUSHDFAJDF-LLVKDONJSA-N 2 1 221.348 2.396 20 0 BEADMP CCc1ccc(NC[C@H](C)C[NH+](C)C)[nH+]c1 ZINC001336652904 977833021 /nfs/dbraw/zinc/83/30/21/977833021.db2.gz YOHMGDHXTVTFBP-NSHDSACASA-N 2 1 221.348 2.254 20 0 BEADMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)C1CCOCC1 ZINC001232011958 977837669 /nfs/dbraw/zinc/83/76/69/977837669.db2.gz QHUJDAVQCHCSEE-UHFFFAOYSA-N 2 1 245.326 2.174 20 0 BEADMP c1c(C[NH+]2CCSCC2)[nH]c2cc[nH+]cc12 ZINC001232011533 977839206 /nfs/dbraw/zinc/83/92/06/977839206.db2.gz FXPQJUGXYHSFHL-UHFFFAOYSA-N 2 1 233.340 2.112 20 0 BEADMP C[C@@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@@H]1F ZINC001232012108 977841125 /nfs/dbraw/zinc/84/11/25/977841125.db2.gz SPGRMVYUDMQOEX-SKDRFNHKSA-N 2 1 233.290 2.353 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@@H]1F ZINC001232012108 977841132 /nfs/dbraw/zinc/84/11/32/977841132.db2.gz SPGRMVYUDMQOEX-SKDRFNHKSA-N 2 1 233.290 2.353 20 0 BEADMP F[C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc2c[nH+]ccc2[nH]1 ZINC001232016500 977842937 /nfs/dbraw/zinc/84/29/37/977842937.db2.gz YJXVFCSZCSPNFJ-DRZSPHRISA-N 2 1 245.301 2.495 20 0 BEADMP FC[C@H]1CCC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232018594 977845624 /nfs/dbraw/zinc/84/56/24/977845624.db2.gz NJBIOTWZLDDYMB-GFCCVEGCSA-N 2 1 233.290 2.497 20 0 BEADMP FC[C@H]1CCC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232018594 977845632 /nfs/dbraw/zinc/84/56/32/977845632.db2.gz NJBIOTWZLDDYMB-GFCCVEGCSA-N 2 1 233.290 2.497 20 0 BEADMP CSCC[N@@H+](C)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232017554 977847070 /nfs/dbraw/zinc/84/70/70/977847070.db2.gz VACAISPPLXQXNC-UHFFFAOYSA-N 2 1 235.356 2.358 20 0 BEADMP Cc1cc(Nc2[nH]cc[nH+]2)c2ccccc2[nH+]1 ZINC001176077901 977871569 /nfs/dbraw/zinc/87/15/69/977871569.db2.gz XFMYMAXRHDBKIP-UHFFFAOYSA-N 2 1 224.267 2.432 20 0 BEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccnc2)CC1 ZINC001206293308 978295056 /nfs/dbraw/zinc/29/50/56/978295056.db2.gz HGNLYXKOIVIBGJ-AWEZNQCLSA-N 2 1 233.359 2.033 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)[nH]1 ZINC001206304809 978373395 /nfs/dbraw/zinc/37/33/95/978373395.db2.gz PUAUBGSVBKQAEQ-CQSZACIVSA-N 2 1 235.375 2.274 20 0 BEADMP CC[NH+]1CCC(Oc2ccc3[nH+]ccn3c2)CC1 ZINC001233748349 978688500 /nfs/dbraw/zinc/68/85/00/978688500.db2.gz IDEBSFBWKCPCRY-UHFFFAOYSA-N 2 1 245.326 2.197 20 0 BEADMP Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)c1 ZINC001179818647 978759984 /nfs/dbraw/zinc/75/99/84/978759984.db2.gz ZFHBCDFYJIVSTM-BZUAXINKSA-N 2 1 244.382 2.425 20 0 BEADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+](C2CCC2)C1 ZINC001339458380 978855425 /nfs/dbraw/zinc/85/54/25/978855425.db2.gz IYPYTFRMLARDRE-ZDUSSCGKSA-N 2 1 245.370 2.392 20 0 BEADMP CC1=C[C@@H](C)[C@H](C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)CC1 ZINC001235025474 978956205 /nfs/dbraw/zinc/95/62/05/978956205.db2.gz BZMLWXFEZDYROA-CBBWQLFWSA-N 2 1 234.387 2.273 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]32)cc1C ZINC001235255969 979010502 /nfs/dbraw/zinc/01/05/02/979010502.db2.gz DXJRUWSRRVHUFF-CVEARBPZSA-N 2 1 244.382 2.406 20 0 BEADMP Cc1cc(C)c(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]32)cc1C ZINC001235255969 979010510 /nfs/dbraw/zinc/01/05/10/979010510.db2.gz DXJRUWSRRVHUFF-CVEARBPZSA-N 2 1 244.382 2.406 20 0 BEADMP CCc1cccc(C)c1C[N@@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235264048 979015042 /nfs/dbraw/zinc/01/50/42/979015042.db2.gz VVTXWDYRMHLAPU-GOEBONIOSA-N 2 1 244.382 2.351 20 0 BEADMP CCc1cccc(C)c1C[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235264048 979015047 /nfs/dbraw/zinc/01/50/47/979015047.db2.gz VVTXWDYRMHLAPU-GOEBONIOSA-N 2 1 244.382 2.351 20 0 BEADMP CC(C)Cc1ccc(C[N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)cc1 ZINC001235284099 979016207 /nfs/dbraw/zinc/01/62/07/979016207.db2.gz JQSNJBVCVXBRMA-MUJYYYPQSA-N 2 1 244.382 2.274 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235410502 979039356 /nfs/dbraw/zinc/03/93/56/979039356.db2.gz YGCVCCVTOMHDNB-ZIAGYGMSSA-N 2 1 242.382 2.446 20 0 BEADMP CC1(C)[NH2+][C@@H](CC[NH+]2CCC(C)(C)CC2)CO1 ZINC001235690743 979122194 /nfs/dbraw/zinc/12/21/94/979122194.db2.gz LTMDNVJPTDPQFK-LBPRGKRZSA-N 2 1 240.391 2.223 20 0 BEADMP CCC[C@H]1CCCC[N@H+]1C[C@@H]1CNC(C)(C)O1 ZINC001235694941 979124307 /nfs/dbraw/zinc/12/43/07/979124307.db2.gz XLDHRJDPVVDNHE-STQMWFEESA-N 2 1 240.391 2.366 20 0 BEADMP CCC[C@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235694941 979124314 /nfs/dbraw/zinc/12/43/14/979124314.db2.gz XLDHRJDPVVDNHE-STQMWFEESA-N 2 1 240.391 2.366 20 0 BEADMP CCC[C@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235694941 979124323 /nfs/dbraw/zinc/12/43/23/979124323.db2.gz XLDHRJDPVVDNHE-STQMWFEESA-N 2 1 240.391 2.366 20 0 BEADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cccc(N)c1 ZINC001235717979 979133208 /nfs/dbraw/zinc/13/32/08/979133208.db2.gz QPEPNERHWHDXQI-UHFFFAOYSA-N 2 1 247.386 2.090 20 0 BEADMP CC[C@@H]1CCC[N@@H+](CC[C@H]2COC(C)(C)N2)C1 ZINC001235949286 979218134 /nfs/dbraw/zinc/21/81/34/979218134.db2.gz CMXRRNGZICWBBL-OLZOCXBDSA-N 2 1 240.391 2.223 20 0 BEADMP CC[C@@H]1CCC[N@H+](CC[C@H]2COC(C)(C)[NH2+]2)C1 ZINC001235949286 979218146 /nfs/dbraw/zinc/21/81/46/979218146.db2.gz CMXRRNGZICWBBL-OLZOCXBDSA-N 2 1 240.391 2.223 20 0 BEADMP CC[C@@H]1CCC[N@@H+](CC[C@H]2COC(C)(C)[NH2+]2)C1 ZINC001235949286 979218152 /nfs/dbraw/zinc/21/81/52/979218152.db2.gz CMXRRNGZICWBBL-OLZOCXBDSA-N 2 1 240.391 2.223 20 0 BEADMP Cc1cc(C)cc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235977244 979246161 /nfs/dbraw/zinc/24/61/61/979246161.db2.gz GEERZGFKHRQHEH-CABCVRRESA-N 2 1 230.355 2.227 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235977244 979246171 /nfs/dbraw/zinc/24/61/71/979246171.db2.gz GEERZGFKHRQHEH-CABCVRRESA-N 2 1 230.355 2.227 20 0 BEADMP [NH3+][C@@]12CC[C@H]1C[N@H+](CC1CCC(F)(F)CC1)C2 ZINC001235979929 979251083 /nfs/dbraw/zinc/25/10/83/979251083.db2.gz OKAOHBHAOSQZKI-NWDGAFQWSA-N 2 1 244.329 2.235 20 0 BEADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](CC1CCC(F)(F)CC1)C2 ZINC001235979929 979251095 /nfs/dbraw/zinc/25/10/95/979251095.db2.gz OKAOHBHAOSQZKI-NWDGAFQWSA-N 2 1 244.329 2.235 20 0 BEADMP Cc1cccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1C ZINC001235977880 979254294 /nfs/dbraw/zinc/25/42/94/979254294.db2.gz HUWCUQKUXVSKJE-CABCVRRESA-N 2 1 230.355 2.227 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1C ZINC001235977880 979254304 /nfs/dbraw/zinc/25/43/04/979254304.db2.gz HUWCUQKUXVSKJE-CABCVRRESA-N 2 1 230.355 2.227 20 0 BEADMP [NH3+][C@]12CC[C@H]1C[N@H+](CCCc1ccc(F)cc1)C2 ZINC001235981481 979259651 /nfs/dbraw/zinc/25/96/51/979259651.db2.gz VZKSCWOWWVWSTD-ZFWWWQNUSA-N 2 1 248.345 2.181 20 0 BEADMP [NH3+][C@]12CC[C@H]1C[N@@H+](CCCc1ccc(F)cc1)C2 ZINC001235981481 979259661 /nfs/dbraw/zinc/25/96/61/979259661.db2.gz VZKSCWOWWVWSTD-ZFWWWQNUSA-N 2 1 248.345 2.181 20 0 BEADMP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1cccc3c1CCC3)C2 ZINC001235996088 979289600 /nfs/dbraw/zinc/28/96/00/979289600.db2.gz QRGICFZBAUNQRV-GOEBONIOSA-N 2 1 242.366 2.098 20 0 BEADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1cccc3c1CCC3)C2 ZINC001235996088 979289609 /nfs/dbraw/zinc/28/96/09/979289609.db2.gz QRGICFZBAUNQRV-GOEBONIOSA-N 2 1 242.366 2.098 20 0 BEADMP [NH3+][C@]12C[C@H]1C[N@H+](CCCCc1ccccc1)C2 ZINC001236017282 979305948 /nfs/dbraw/zinc/30/59/48/979305948.db2.gz RCFRSSVRVSXABD-GJZGRUSLSA-N 2 1 230.355 2.042 20 0 BEADMP [NH3+][C@]12C[C@H]1C[N@@H+](CCCCc1ccccc1)C2 ZINC001236017282 979305961 /nfs/dbraw/zinc/30/59/61/979305961.db2.gz RCFRSSVRVSXABD-GJZGRUSLSA-N 2 1 230.355 2.042 20 0 BEADMP CC/C=C\CCC[N@H+]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC001236043960 979339824 /nfs/dbraw/zinc/33/98/24/979339824.db2.gz HBNDFKIVQOTBMG-AIMRDXAKSA-N 2 1 210.365 2.402 20 0 BEADMP CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236058765 979349461 /nfs/dbraw/zinc/34/94/61/979349461.db2.gz AYYREMNFBBSYFQ-STQMWFEESA-N 2 1 210.365 2.251 20 0 BEADMP CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236058765 979349469 /nfs/dbraw/zinc/34/94/69/979349469.db2.gz AYYREMNFBBSYFQ-STQMWFEESA-N 2 1 210.365 2.251 20 0 BEADMP C[N@H+](CC/C=C/c1cccnc1)CCCC[NH3+] ZINC001236100247 979390393 /nfs/dbraw/zinc/39/03/93/979390393.db2.gz BANIGQKWGUNXRE-FARCUNLSSA-N 2 1 233.359 2.156 20 0 BEADMP CNc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236218338 979454758 /nfs/dbraw/zinc/45/47/58/979454758.db2.gz SDEVTIORHRFACZ-HUUCEWRRSA-N 2 1 247.386 2.430 20 0 BEADMP CNc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236218338 979454764 /nfs/dbraw/zinc/45/47/64/979454764.db2.gz SDEVTIORHRFACZ-HUUCEWRRSA-N 2 1 247.386 2.430 20 0 BEADMP Cc1ccc(C[N@H+]2CC[NH2+]CC[C@@H]2C)cc1C ZINC000085622301 979528235 /nfs/dbraw/zinc/52/82/35/979528235.db2.gz RRBRAHOQBKKSQV-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[NH2+]CC[C@@H]2C)cc1C ZINC000085622301 979528245 /nfs/dbraw/zinc/52/82/45/979528245.db2.gz RRBRAHOQBKKSQV-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP C[C@@H]([NH3+])C[N@H+](Cc1ccccc1)C1CCC1 ZINC001236440780 979600197 /nfs/dbraw/zinc/60/01/97/979600197.db2.gz HAACFFAXPGSQPZ-GFCCVEGCSA-N 2 1 218.344 2.388 20 0 BEADMP CC(C)[N@H+](Cc1cccc(N)c1)[C@@H]1CCC[NH2+]C1 ZINC001236470994 979603033 /nfs/dbraw/zinc/60/30/33/979603033.db2.gz UDSPCASVCVKPKU-OAHLLOKOSA-N 2 1 247.386 2.231 20 0 BEADMP CC(C)[N@@H+](Cc1cccc(N)c1)[C@@H]1CCC[NH2+]C1 ZINC001236470994 979603043 /nfs/dbraw/zinc/60/30/43/979603043.db2.gz UDSPCASVCVKPKU-OAHLLOKOSA-N 2 1 247.386 2.231 20 0 BEADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(O)cc2)CC1 ZINC001205263700 979805637 /nfs/dbraw/zinc/80/56/37/979805637.db2.gz BPVMXRPYUVPUFF-AWEZNQCLSA-N 2 1 234.343 2.096 20 0 BEADMP C1=CC[C@H](C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001237377146 979877064 /nfs/dbraw/zinc/87/70/64/979877064.db2.gz YUFOJZMGAHKLAG-SOUVJXGZSA-N 2 1 234.387 2.417 20 0 BEADMP C1=CC[C@H](C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001237377146 979877067 /nfs/dbraw/zinc/87/70/67/979877067.db2.gz YUFOJZMGAHKLAG-SOUVJXGZSA-N 2 1 234.387 2.417 20 0 BEADMP C1=CC[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001237377147 979878838 /nfs/dbraw/zinc/87/88/38/979878838.db2.gz YUFOJZMGAHKLAG-ZNMIVQPWSA-N 2 1 234.387 2.417 20 0 BEADMP C1=CC[C@H](C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001237377147 979878847 /nfs/dbraw/zinc/87/88/47/979878847.db2.gz YUFOJZMGAHKLAG-ZNMIVQPWSA-N 2 1 234.387 2.417 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)oc1C ZINC001237384936 979881126 /nfs/dbraw/zinc/88/11/26/979881126.db2.gz ZBTGQUGAACOKOG-DZGCQCFKSA-N 2 1 248.370 2.470 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)oc1C ZINC001237384936 979881128 /nfs/dbraw/zinc/88/11/28/979881128.db2.gz ZBTGQUGAACOKOG-DZGCQCFKSA-N 2 1 248.370 2.470 20 0 BEADMP CCc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)nc1 ZINC001205280806 979883061 /nfs/dbraw/zinc/88/30/61/979883061.db2.gz JHXQJTBBVFOFML-OAHLLOKOSA-N 2 1 247.386 2.347 20 0 BEADMP CNc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205296100 980062936 /nfs/dbraw/zinc/06/29/36/980062936.db2.gz GVWIMXVHHWHEFH-HNNXBMFYSA-N 2 1 247.386 2.432 20 0 BEADMP c1[nH+]cn2c1cccc2C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001238109676 980159539 /nfs/dbraw/zinc/15/95/39/980159539.db2.gz IQAJOBKPEQBAGS-RISCZKNCSA-N 2 1 227.311 2.319 20 0 BEADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccsc2)CC1 ZINC001205545669 980947153 /nfs/dbraw/zinc/94/71/53/980947153.db2.gz LNFOBTADWUUHKZ-GFCCVEGCSA-N 2 1 242.363 2.401 20 0 BEADMP C([C@H]1CC2CCC1CC2)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000691685550 981073435 /nfs/dbraw/zinc/07/34/35/981073435.db2.gz QEWXUMQCLYRKMV-ODGNXRKOSA-N 2 1 234.387 2.106 20 0 BEADMP COC(C)(C)CC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205599911 981153114 /nfs/dbraw/zinc/15/31/14/981153114.db2.gz AMWWIRHSVGSAMJ-CHWSQXEVSA-N 2 1 242.407 2.108 20 0 BEADMP CC(C)CC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205601379 981162674 /nfs/dbraw/zinc/16/26/74/981162674.db2.gz DYELBMKBBNTSGJ-STQMWFEESA-N 2 1 212.381 2.339 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)n1 ZINC001205602650 981164240 /nfs/dbraw/zinc/16/42/40/981164240.db2.gz KXUPRQMEQNUAEM-OCCSQVGLSA-N 2 1 247.386 2.197 20 0 BEADMP C[C@H]1CC[N@@H+](Cc2ccc(O)cc2)CC[C@H]1C[NH3+] ZINC001205603680 981174458 /nfs/dbraw/zinc/17/44/58/981174458.db2.gz RXKGVNRMUVKVBK-JSGCOSHPSA-N 2 1 248.370 2.199 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)o1 ZINC001205604819 981182107 /nfs/dbraw/zinc/18/21/07/981182107.db2.gz XUUMHOKJVIUUML-DGCLKSJQSA-N 2 1 236.359 2.395 20 0 BEADMP C[C@H]1CC[N@@H+](Cc2cccc(N)c2)CC[C@H]1C[NH3+] ZINC001205638817 981413000 /nfs/dbraw/zinc/41/30/00/981413000.db2.gz SERXEMVDSLTTJC-JSGCOSHPSA-N 2 1 247.386 2.076 20 0 BEADMP C[N@H+]1CCc2ccc(C3=CCC[NH2+]C3)cc2C1 ZINC001240680627 981585712 /nfs/dbraw/zinc/58/57/12/981585712.db2.gz VUCRVWANDARZFN-UHFFFAOYSA-N 2 1 228.339 2.051 20 0 BEADMP C(=C\C1CC1)\C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC001350956567 982137850 /nfs/dbraw/zinc/13/78/50/982137850.db2.gz MYFWIJVQKUSSCR-DHCBQETCSA-N 2 1 220.360 2.217 20 0 BEADMP Nc1cc(-c2ccc([C@H]3CC[NH2+]C3)cc2)cc[nH+]1 ZINC001241170407 982317300 /nfs/dbraw/zinc/31/73/00/982317300.db2.gz MJQGCTGGSSWJLX-AWEZNQCLSA-N 2 1 239.322 2.408 20 0 BEADMP CCC(C)(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001196632385 982477863 /nfs/dbraw/zinc/47/78/63/982477863.db2.gz PVRFJNCVGRWJRI-ITGUQSILSA-N 2 1 224.392 2.305 20 0 BEADMP CCC(C)(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001196632385 982477870 /nfs/dbraw/zinc/47/78/70/982477870.db2.gz PVRFJNCVGRWJRI-ITGUQSILSA-N 2 1 224.392 2.305 20 0 BEADMP C[N@@H+]1CC=C(c2cccc3c2CC[C@H]3[NH3+])CC1 ZINC001241330085 982491169 /nfs/dbraw/zinc/49/11/69/982491169.db2.gz IQJJZIIDMFTJJN-OAHLLOKOSA-N 2 1 228.339 2.352 20 0 BEADMP C[NH2+]Cc1ccccc1C1=CC[N@@H+](C)CC1 ZINC001241333518 982501001 /nfs/dbraw/zinc/50/10/01/982501001.db2.gz WELPDFMWDINCSO-UHFFFAOYSA-N 2 1 216.328 2.125 20 0 BEADMP C[NH+](C)[C@H](C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)C1CC1 ZINC001199420525 982924899 /nfs/dbraw/zinc/92/48/99/982924899.db2.gz NGKAROALTBFLLJ-PAPYEOQZSA-N 2 1 236.403 2.495 20 0 BEADMP Cc1cccc(NCc2c[nH+]ccc2N(C)C)[nH+]1 ZINC001199498252 982933777 /nfs/dbraw/zinc/93/37/77/982933777.db2.gz LPBXJUUSXXDHPS-UHFFFAOYSA-N 2 1 242.326 2.463 20 0 BEADMP CS[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCC2)C1 ZINC001354171429 983182738 /nfs/dbraw/zinc/18/27/38/983182738.db2.gz QSEPLSNSTJCZRN-QWHCGFSZSA-N 2 1 242.432 2.346 20 0 BEADMP CNc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1 ZINC001205915860 983184295 /nfs/dbraw/zinc/18/42/95/983184295.db2.gz RBYAWNMQBBDWMW-JSGCOSHPSA-N 2 1 247.386 2.288 20 0 BEADMP COc1cc(C)[nH+]cc1C1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001242026361 983238263 /nfs/dbraw/zinc/23/82/63/983238263.db2.gz IYHVVVHOIRFIOB-NEPJUHHUSA-N 2 1 230.311 2.306 20 0 BEADMP Cc1cccc2cc[nH+]c(N3CCC([NH3+])CC3)c12 ZINC000082766281 983276667 /nfs/dbraw/zinc/27/66/67/983276667.db2.gz FBDCFMXVRVRDHF-UHFFFAOYSA-N 2 1 241.338 2.471 20 0 BEADMP CC[C@@H](C)C[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001201517246 983313357 /nfs/dbraw/zinc/31/33/57/983313357.db2.gz OSHNZFQZUIXVBW-GFCCVEGCSA-N 2 1 212.381 2.449 20 0 BEADMP CC[C@H](C)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001201521227 983320706 /nfs/dbraw/zinc/32/07/06/983320706.db2.gz QKSYMLCVCLLEKV-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP Cc1cc(N)[nH+]cc1-c1cncc(C[NH+](C)C)c1 ZINC001242090781 983337015 /nfs/dbraw/zinc/33/70/15/983337015.db2.gz UOEVASOZHMSKHB-UHFFFAOYSA-N 2 1 242.326 2.096 20 0 BEADMP CC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001201587736 983348622 /nfs/dbraw/zinc/34/86/22/983348622.db2.gz XFDKMCLDPCNZCF-JKSUJKDBSA-N 2 1 244.382 2.460 20 0 BEADMP CC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201587736 983348629 /nfs/dbraw/zinc/34/86/29/983348629.db2.gz XFDKMCLDPCNZCF-JKSUJKDBSA-N 2 1 244.382 2.460 20 0 BEADMP CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201587736 983348641 /nfs/dbraw/zinc/34/86/41/983348641.db2.gz XFDKMCLDPCNZCF-JKSUJKDBSA-N 2 1 244.382 2.460 20 0 BEADMP CCC[N@@H+](CCCSC)CCC[NH+](C)C ZINC001201698087 983410709 /nfs/dbraw/zinc/41/07/09/983410709.db2.gz XDJOACOMVMQDPG-UHFFFAOYSA-N 2 1 232.437 2.403 20 0 BEADMP CN1CCC[C@@H]2C[N@@H+](CC3CCCC3)C[C@@H]21 ZINC001202190297 983595830 /nfs/dbraw/zinc/59/58/30/983595830.db2.gz NOAQXSRFJVFOON-KGLIPLIRSA-N 2 1 222.376 2.203 20 0 BEADMP Cc1csc(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC001137152109 983980008 /nfs/dbraw/zinc/98/00/08/983980008.db2.gz IHHSFFXMTZUCNF-UHFFFAOYSA-N 2 1 226.389 2.440 20 0 BEADMP Cc1csc(C[N@H+](C)CCC[NH+](C)C)c1 ZINC001137152109 983980038 /nfs/dbraw/zinc/98/00/38/983980038.db2.gz IHHSFFXMTZUCNF-UHFFFAOYSA-N 2 1 226.389 2.440 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21)C1CCC1 ZINC001561053070 984014080 /nfs/dbraw/zinc/01/40/80/984014080.db2.gz RYVQAQGYUXEUHI-SCUASFONSA-N 2 1 222.376 2.105 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21)C1CCC1 ZINC001561053067 984015487 /nfs/dbraw/zinc/01/54/87/984015487.db2.gz RYVQAQGYUXEUHI-DOERSZECSA-N 2 1 222.376 2.105 20 0 BEADMP C[C@@H]1CCC[C@@H](CC[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC001576670109 984178239 /nfs/dbraw/zinc/17/82/39/984178239.db2.gz YIINMYLEUHGFPI-SEBNEYGDSA-N 2 1 236.403 2.352 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CCC2)CCC[C@@H]1C[NH3+] ZINC001205983886 984214573 /nfs/dbraw/zinc/21/45/73/984214573.db2.gz PVOLCLPQHRVRIP-DGCLKSJQSA-N 2 1 210.365 2.093 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CCCC2)CCC[C@H]1C[NH3+] ZINC001205985018 984219780 /nfs/dbraw/zinc/21/97/80/984219780.db2.gz VBHBJELQMSVOCA-OCCSQVGLSA-N 2 1 224.392 2.483 20 0 BEADMP C[NH2+]Cc1ccc(-c2cc[nH+]c3c2CCN3)cc1 ZINC001242995090 984357789 /nfs/dbraw/zinc/35/77/89/984357789.db2.gz ZDHSNWCQAYECPC-UHFFFAOYSA-N 2 1 239.322 2.079 20 0 BEADMP CCCCC[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001275121298 984498126 /nfs/dbraw/zinc/49/81/26/984498126.db2.gz TZPNONORPBIALP-OKILXGFUSA-N 2 1 224.392 2.450 20 0 BEADMP CCCCC[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001275121298 984498134 /nfs/dbraw/zinc/49/81/34/984498134.db2.gz TZPNONORPBIALP-OKILXGFUSA-N 2 1 224.392 2.450 20 0 BEADMP CCCCC[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001275121298 984498139 /nfs/dbraw/zinc/49/81/39/984498139.db2.gz TZPNONORPBIALP-OKILXGFUSA-N 2 1 224.392 2.450 20 0 BEADMP C[N@H+]1CCCC2(CC[NH+](CC3CC3)CC2)C1 ZINC001275136970 984504404 /nfs/dbraw/zinc/50/44/04/984504404.db2.gz IASDUHVESDVMSX-UHFFFAOYSA-N 2 1 222.376 2.204 20 0 BEADMP C[C@H]1C[C@H]1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001276031486 984788128 /nfs/dbraw/zinc/78/81/28/984788128.db2.gz HRLNDIDBRFKFLV-STQMWFEESA-N 2 1 222.376 2.060 20 0 BEADMP CCC[C@H](C)[N@@H+](CC)CCC[NH+](C)C ZINC001257324433 984896987 /nfs/dbraw/zinc/89/69/87/984896987.db2.gz OLVOHXSWVXKTOL-LBPRGKRZSA-N 2 1 200.370 2.449 20 0 BEADMP CCc1ccc2c(c1)[C@H]([NH2+]C1CC([NH3+])C1)CCO2 ZINC001578266038 984912371 /nfs/dbraw/zinc/91/23/71/984912371.db2.gz WJTKKLAWTJQYBM-ORHYLEIMSA-N 2 1 246.354 2.152 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])C[C@@]1(C)CCCCO1 ZINC001578465851 985099589 /nfs/dbraw/zinc/09/95/89/985099589.db2.gz RDOSNWLTUFBOLB-CQSZACIVSA-N 2 1 242.407 2.397 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCCSC1 ZINC001257682898 985275419 /nfs/dbraw/zinc/27/54/19/985275419.db2.gz KPFBFXSMZZUTSM-GFCCVEGCSA-N 2 1 230.421 2.156 20 0 BEADMP CSCC[C@@H](C)[N@@H+](C)CCC[NH2+]C1CC1 ZINC000156910871 985277796 /nfs/dbraw/zinc/27/77/96/985277796.db2.gz PZOUPIOWRUKOQQ-LLVKDONJSA-N 2 1 230.421 2.202 20 0 BEADMP c1c(C[N@H+]2CC[C@H]3C[C@H]3C2)sc2c1C[NH2+]CC2 ZINC000687979613 985446119 /nfs/dbraw/zinc/44/61/19/985446119.db2.gz APGPHGWQSPUETJ-JQWIXIFHSA-N 2 1 248.395 2.236 20 0 BEADMP COc1cc(C)[nH+]cc1/C=C/C1CC[NH2+]CC1 ZINC001243895510 985578949 /nfs/dbraw/zinc/57/89/49/985578949.db2.gz FIMJCPARFMOHMC-ONEGZZNKSA-N 2 1 232.327 2.411 20 0 BEADMP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000688242615 985584381 /nfs/dbraw/zinc/58/43/81/985584381.db2.gz VHGDVTZWLSGJEG-MNOVXSKESA-N 2 1 232.318 2.233 20 0 BEADMP COCc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001579091014 985712849 /nfs/dbraw/zinc/71/28/49/985712849.db2.gz QOMWUFXMEHJZLS-HUUCEWRRSA-N 2 1 248.370 2.193 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000688725587 985717145 /nfs/dbraw/zinc/71/71/45/985717145.db2.gz IQKBEMHRDDXRCG-MNOVXSKESA-N 2 1 234.334 2.339 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000688760799 985719342 /nfs/dbraw/zinc/71/93/42/985719342.db2.gz LUMZCBBJCPFYJO-MNOVXSKESA-N 2 1 234.334 2.339 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000688760796 985719565 /nfs/dbraw/zinc/71/95/65/985719565.db2.gz LUMZCBBJCPFYJO-GHMZBOCLSA-N 2 1 234.334 2.339 20 0 BEADMP C[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)C1CC1 ZINC001461100973 986006690 /nfs/dbraw/zinc/00/66/90/986006690.db2.gz NVZLYTZZEGKIEH-NSHDSACASA-N 2 1 233.359 2.283 20 0 BEADMP C[C@@H](CC[NH2+]Cc1cccnc1)[NH+]1CCCCC1 ZINC001461430453 986054468 /nfs/dbraw/zinc/05/44/68/986054468.db2.gz MUXNNTPLAAPPSG-AWEZNQCLSA-N 2 1 247.386 2.436 20 0 BEADMP F[C@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001461679040 986105422 /nfs/dbraw/zinc/10/54/22/986105422.db2.gz UKOXHEIBSBABER-RFQIPJPRSA-N 2 1 240.366 2.484 20 0 BEADMP Cc1ccc(C[C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC001579684512 986171005 /nfs/dbraw/zinc/17/10/05/986171005.db2.gz HLRAOJPOAVNVHG-UMVBOHGHSA-N 2 1 232.371 2.124 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1C ZINC001579687714 986181238 /nfs/dbraw/zinc/18/12/38/986181238.db2.gz NKJGBLSPWQZDCN-UKRRQHHQSA-N 2 1 232.371 2.043 20 0 BEADMP Cc1cccc(C[C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC001579759493 986213508 /nfs/dbraw/zinc/21/35/08/986213508.db2.gz KRUXKIDHEBUKSW-DMRZNYOFSA-N 2 1 244.382 2.409 20 0 BEADMP C[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001258807683 986266010 /nfs/dbraw/zinc/26/60/10/986266010.db2.gz JQNCSLPKMWJRKT-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP Cn1cccc1[C@@H]1CCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001579975210 986380160 /nfs/dbraw/zinc/38/01/60/986380160.db2.gz WFXSLDSBTTVIQL-GUTXKFCHSA-N 2 1 247.386 2.289 20 0 BEADMP [NH3+][C@@H](C[NH2+]C[C@@H]1CC=CCC1)CC(F)(F)F ZINC001580131369 986601245 /nfs/dbraw/zinc/60/12/45/986601245.db2.gz CNODZIQBEYMLQG-NXEZZACHSA-N 2 1 236.281 2.212 20 0 BEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CC3(CCC3)C1)C2 ZINC001580169459 986649072 /nfs/dbraw/zinc/64/90/72/986649072.db2.gz FYWGLMSFTTYTGQ-UBHSHLNASA-N 2 1 234.387 2.378 20 0 BEADMP [NH3+]C[C@@H]([NH2+]C[C@@H]1CC=CCC1)C1CCCC1 ZINC001580229226 986652149 /nfs/dbraw/zinc/65/21/49/986652149.db2.gz KJNUVLMNBBJDSN-TZMCWYRMSA-N 2 1 222.376 2.450 20 0 BEADMP [NH3+]C[C@H]([NH2+]C[C@H]1CCCCC1(F)F)C1CC1 ZINC001580228788 986652194 /nfs/dbraw/zinc/65/21/94/986652194.db2.gz FUVFFINUQLMMOA-MNOVXSKESA-N 2 1 232.318 2.139 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2C[C@H]3CCC[C@@H]3C2)CC1 ZINC001254515814 986664970 /nfs/dbraw/zinc/66/49/70/986664970.db2.gz DJLYCFKHCUMNKO-MCIONIFRSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC001254515812 986671539 /nfs/dbraw/zinc/67/15/39/986671539.db2.gz DJLYCFKHCUMNKO-HZSPNIEDSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@@H]([N@@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC001254515812 986671557 /nfs/dbraw/zinc/67/15/57/986671557.db2.gz DJLYCFKHCUMNKO-HZSPNIEDSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@@H]([N@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC001254515812 986671563 /nfs/dbraw/zinc/67/15/63/986671563.db2.gz DJLYCFKHCUMNKO-HZSPNIEDSA-N 2 1 222.376 2.203 20 0 BEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC1CCSCC1 ZINC001580286314 986732591 /nfs/dbraw/zinc/73/25/91/986732591.db2.gz CKEZVBDIUUKMDR-ZDUSSCGKSA-N 2 1 242.432 2.333 20 0 BEADMP CCCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001255331038 986926483 /nfs/dbraw/zinc/92/64/83/986926483.db2.gz YNGPIUMBFVJHOM-UPJWGTAASA-N 2 1 210.365 2.059 20 0 BEADMP CCCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001255331038 986926491 /nfs/dbraw/zinc/92/64/91/986926491.db2.gz YNGPIUMBFVJHOM-UPJWGTAASA-N 2 1 210.365 2.059 20 0 BEADMP CCCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001255331038 986926504 /nfs/dbraw/zinc/92/65/04/986926504.db2.gz YNGPIUMBFVJHOM-UPJWGTAASA-N 2 1 210.365 2.059 20 0 BEADMP C[N@@H+]1CC[C@@H](NC(=[NH2+])C2CCCCCC2)C1 ZINC001255416894 986937950 /nfs/dbraw/zinc/93/79/50/986937950.db2.gz BCFOTICTCZPNNC-GFCCVEGCSA-N 2 1 223.364 2.228 20 0 BEADMP C[N@H+]1CC[C@@H](NC(=[NH2+])C2CCCCCC2)C1 ZINC001255416894 986937960 /nfs/dbraw/zinc/93/79/60/986937960.db2.gz BCFOTICTCZPNNC-GFCCVEGCSA-N 2 1 223.364 2.228 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000691657811 987288374 /nfs/dbraw/zinc/28/83/74/987288374.db2.gz AIQKXNBCFRNUME-HTXSYXIBSA-N 2 1 236.403 2.482 20 0 BEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@]12C[C@H]1CCC2 ZINC000693530786 987309552 /nfs/dbraw/zinc/30/95/52/987309552.db2.gz BKBIIMVCOWBUPW-DOMZBBRYSA-N 2 1 234.387 2.393 20 0 BEADMP c1[nH+]c2c(n1C[C@@H]1CCCC[NH2+]C1)CCCC2 ZINC000697016005 987342327 /nfs/dbraw/zinc/34/23/27/987342327.db2.gz WOBFDAZXPFCTJI-GFCCVEGCSA-N 2 1 233.359 2.152 20 0 BEADMP CC1(C)CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000697038341 987348067 /nfs/dbraw/zinc/34/80/67/987348067.db2.gz BRJHIZFSNVCKBA-GFCCVEGCSA-N 2 1 210.365 2.108 20 0 BEADMP CC[N@@H+](CC1CC1)C[C@@H]1CCCC[NH2+]C1 ZINC000697040311 987348103 /nfs/dbraw/zinc/34/81/03/987348103.db2.gz HZRKADQZWCGDPM-CYBMUJFWSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CCCCCCCC[NH3+])C[NH2+]1 ZINC001246079532 987373766 /nfs/dbraw/zinc/37/37/66/987373766.db2.gz KPVSASALKWWMFN-ZIAGYGMSSA-N 3 1 241.423 2.016 20 0 BEADMP C[C@@H]1C[C@@H](C)[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699310217 987374552 /nfs/dbraw/zinc/37/45/52/987374552.db2.gz FLSRAYNKDIQJRC-DUJLVANISA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246083816 987381493 /nfs/dbraw/zinc/38/14/93/987381493.db2.gz KHFMBHIDFPGSFM-XQHKEYJVSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C[NH2+]1 ZINC001246085695 987384163 /nfs/dbraw/zinc/38/41/63/987384163.db2.gz RSMHJGLQGWUPSO-TUAOUCFPSA-N 2 1 210.365 2.295 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246094093 987401944 /nfs/dbraw/zinc/40/19/44/987401944.db2.gz GSJCXTALRKGPGP-ZFWWWQNUSA-N 2 1 232.371 2.268 20 0 BEADMP C[C@H]1CC([NH2+][C@H]2C[NH2+]CC[C@H]2C)C[C@H](C)C1 ZINC001246097687 987409561 /nfs/dbraw/zinc/40/95/61/987409561.db2.gz NUFNGLGMBXHAMO-BYNQJWBRSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC001246097689 987409655 /nfs/dbraw/zinc/40/96/55/987409655.db2.gz NUFNGLGMBXHAMO-FMSGJZPZSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@H]1CC([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C[C@H](C)C1 ZINC001246101986 987424201 /nfs/dbraw/zinc/42/42/01/987424201.db2.gz NUFNGLGMBXHAMO-HKUMRIAESA-N 2 1 224.392 2.399 20 0 BEADMP CC[C@H](C)OCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246116403 987456116 /nfs/dbraw/zinc/45/61/16/987456116.db2.gz DWJITQKHVLKKSO-YIYPIFLZSA-N 2 1 242.407 2.168 20 0 BEADMP CSC(C)(C)C[C@@H](C)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246127365 987473191 /nfs/dbraw/zinc/47/31/91/987473191.db2.gz BPCWPKGBPRVARP-MNOVXSKESA-N 2 1 242.432 2.248 20 0 BEADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246129010 987477069 /nfs/dbraw/zinc/47/70/69/987477069.db2.gz FVAKCWKNMAMIBD-HUUCEWRRSA-N 2 1 244.382 2.349 20 0 BEADMP Fc1cccc2c1CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C2 ZINC001246131460 987482629 /nfs/dbraw/zinc/48/26/29/987482629.db2.gz YGWUVGNTVWOQNO-OLZOCXBDSA-N 2 1 248.345 2.025 20 0 BEADMP Fc1cccc2c1CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)C2 ZINC001246131462 987483187 /nfs/dbraw/zinc/48/31/87/987483187.db2.gz YGWUVGNTVWOQNO-STQMWFEESA-N 2 1 248.345 2.025 20 0 BEADMP C[C@H](c1cccnc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001473702074 987530848 /nfs/dbraw/zinc/53/08/48/987530848.db2.gz BOAKPLVMAMDKDZ-YUELXQCFSA-N 2 1 245.370 2.026 20 0 BEADMP C[C@H](c1cccnc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001473702074 987530854 /nfs/dbraw/zinc/53/08/54/987530854.db2.gz BOAKPLVMAMDKDZ-YUELXQCFSA-N 2 1 245.370 2.026 20 0 BEADMP C[C@H](c1cccnc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001473702074 987530868 /nfs/dbraw/zinc/53/08/68/987530868.db2.gz BOAKPLVMAMDKDZ-YUELXQCFSA-N 2 1 245.370 2.026 20 0 BEADMP CC[C@@H]1CC[C@@H]([NH2+][C@@]2(C)CCC[NH2+]C2)C1 ZINC001246186429 987553488 /nfs/dbraw/zinc/55/34/88/987553488.db2.gz CNVHZCQZZYDZKA-UPJWGTAASA-N 2 1 210.365 2.297 20 0 BEADMP CC(C)CCC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001473842379 987578477 /nfs/dbraw/zinc/57/84/77/987578477.db2.gz NVRYDDAZGAJCSA-KGLIPLIRSA-N 2 1 224.392 2.306 20 0 BEADMP CC(C)CCC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001473842379 987578483 /nfs/dbraw/zinc/57/84/83/987578483.db2.gz NVRYDDAZGAJCSA-KGLIPLIRSA-N 2 1 224.392 2.306 20 0 BEADMP CC(C)CCC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001473842379 987578496 /nfs/dbraw/zinc/57/84/96/987578496.db2.gz NVRYDDAZGAJCSA-KGLIPLIRSA-N 2 1 224.392 2.306 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)nc1 ZINC001246231161 987628848 /nfs/dbraw/zinc/62/88/48/987628848.db2.gz SFJGISPAJUXDHX-FRRDWIJNSA-N 2 1 233.359 2.181 20 0 BEADMP Fc1ccccc1CCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246231080 987629685 /nfs/dbraw/zinc/62/96/85/987629685.db2.gz RXWINJYHNZOCIY-CYBMUJFWSA-N 2 1 236.334 2.100 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC001246231913 987630413 /nfs/dbraw/zinc/63/04/13/987630413.db2.gz UXQFVKLZIFSIEE-ICIURTGMSA-N 2 1 245.370 2.324 20 0 BEADMP Cc1cc(F)cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246238709 987639220 /nfs/dbraw/zinc/63/92/20/987639220.db2.gz ZEAGIXHTPNYSMT-BXUZGUMPSA-N 2 1 236.334 2.364 20 0 BEADMP CC(C)[C@H]([NH2+]C1CC[NH2+]CC1)c1ccccn1 ZINC001246241331 987643451 /nfs/dbraw/zinc/64/34/51/987643451.db2.gz ZKRDBERZAZHEOS-AWEZNQCLSA-N 2 1 233.359 2.120 20 0 BEADMP CC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C1 ZINC001246292060 987686723 /nfs/dbraw/zinc/68/67/23/987686723.db2.gz WUXLKDWZZARFLX-XQQFMLRXSA-N 2 1 210.365 2.297 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CCSC[C@H]2C)CC1 ZINC001474376494 987704860 /nfs/dbraw/zinc/70/48/60/987704860.db2.gz OFOKGIWFEYUHRQ-GFCCVEGCSA-N 2 1 242.432 2.156 20 0 BEADMP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH2+]CC1)CCO2 ZINC001246316329 987719055 /nfs/dbraw/zinc/71/90/55/987719055.db2.gz QRLFCZKVKLAEHQ-CQSZACIVSA-N 2 1 246.354 2.160 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCC[C@H](C)C1 ZINC001246330630 987739162 /nfs/dbraw/zinc/73/91/62/987739162.db2.gz WXXBJANRIDGYFV-UMSGYPCISA-N 2 1 210.365 2.295 20 0 BEADMP CC(C)CC[C@@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC001246331289 987739608 /nfs/dbraw/zinc/73/96/08/987739608.db2.gz NYUJBOPHJMTHRI-XQQFMLRXSA-N 2 1 212.381 2.399 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]CC2(c3ccccc3)CC2)C[NH2+]1 ZINC001246330615 987740257 /nfs/dbraw/zinc/74/02/57/987740257.db2.gz DEWUWCRMFCCISU-ZFWWWQNUSA-N 2 1 244.382 2.448 20 0 BEADMP CC[N@@H+](C[C@@H](C)OC)CC1CC[NH+](CC)CC1 ZINC001474537926 987751740 /nfs/dbraw/zinc/75/17/40/987751740.db2.gz QCEYCVJKCZEWKS-CYBMUJFWSA-N 2 1 242.407 2.075 20 0 BEADMP CCCC1([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CCC1 ZINC001246387005 987778410 /nfs/dbraw/zinc/77/84/10/987778410.db2.gz QVTMWKCQFDXRBT-NEPJUHHUSA-N 2 1 210.365 2.439 20 0 BEADMP Cc1ccnc(C(C)(C)C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC001246388844 987780454 /nfs/dbraw/zinc/78/04/54/987780454.db2.gz NAYQGNQFPDZUSS-CYBMUJFWSA-N 2 1 247.386 2.009 20 0 BEADMP c1ccc2c(c1)CC[C@@H](C[NH2+][C@H]1CCC[NH2+]C1)C2 ZINC001246397894 987782406 /nfs/dbraw/zinc/78/24/06/987782406.db2.gz UQFOYCUPFLFKKB-CJNGLKHVSA-N 2 1 244.382 2.133 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C(C)(C)Cc2ccccn2)C[NH2+]1 ZINC001246432885 987800239 /nfs/dbraw/zinc/80/02/39/987800239.db2.gz IQGJDGDIMIOZHD-OCCSQVGLSA-N 2 1 247.386 2.133 20 0 BEADMP CCCC[C@H](CCC)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246453878 987810269 /nfs/dbraw/zinc/81/02/69/987810269.db2.gz QREFFBWGTFTMHK-AWEZNQCLSA-N 3 1 243.439 2.263 20 0 BEADMP Cc1ccc([C@@H]([NH2+]C2CC[NH2+]CC2)C2CC2)nc1 ZINC001246461152 987819566 /nfs/dbraw/zinc/81/95/66/987819566.db2.gz WPFZAKBQBRIJIV-HNNXBMFYSA-N 2 1 245.370 2.183 20 0 BEADMP CCC[C@@]1(C[NH2+]C2Cc3ccccc3C2)CC[NH2+]1 ZINC001246461689 987820770 /nfs/dbraw/zinc/82/07/70/987820770.db2.gz PLCSZRYEGCZJNP-INIZCTEOSA-N 2 1 244.382 2.276 20 0 BEADMP C[C@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC001246490580 987845405 /nfs/dbraw/zinc/84/54/05/987845405.db2.gz DZQHUAVFGRRLQN-KSTCHIGDSA-N 2 1 224.392 2.399 20 0 BEADMP COc1cccc([C@H](C)C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC001246503580 987855708 /nfs/dbraw/zinc/85/57/08/987855708.db2.gz ZYUJLNIWFBWRAP-TZMCWYRMSA-N 2 1 248.370 2.140 20 0 BEADMP COc1cccc([C@H](C)C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC001246503537 987857524 /nfs/dbraw/zinc/85/75/24/987857524.db2.gz ZYUJLNIWFBWRAP-OCCSQVGLSA-N 2 1 248.370 2.140 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246526271 987878747 /nfs/dbraw/zinc/87/87/47/987878747.db2.gz ADDBXTDCFWNIJW-RWMBFGLXSA-N 2 1 228.380 2.003 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246526271 987878749 /nfs/dbraw/zinc/87/87/49/987878749.db2.gz ADDBXTDCFWNIJW-RWMBFGLXSA-N 2 1 228.380 2.003 20 0 BEADMP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001117743574 987884487 /nfs/dbraw/zinc/88/44/87/987884487.db2.gz IPCYXEWIBQDCJM-VOAKCMCISA-N 2 1 242.432 2.200 20 0 BEADMP CCC1CCC([N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)CC1 ZINC001246533319 987891282 /nfs/dbraw/zinc/89/12/82/987891282.db2.gz MIIUJRLJKUNJHU-WXRRBKDZSA-N 2 1 222.376 2.378 20 0 BEADMP CCC1CCC([N@H+]2C[C@@H]([NH3+])C3(CC3)C2)CC1 ZINC001246533319 987891284 /nfs/dbraw/zinc/89/12/84/987891284.db2.gz MIIUJRLJKUNJHU-WXRRBKDZSA-N 2 1 222.376 2.378 20 0 BEADMP CCCCCC[C@@H](C)[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001246536658 987894583 /nfs/dbraw/zinc/89/45/83/987894583.db2.gz VULAOWJBJXVVDT-KGLIPLIRSA-N 2 1 242.407 2.395 20 0 BEADMP CSC(C)(C)C[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246540747 987900873 /nfs/dbraw/zinc/90/08/73/987900873.db2.gz KATOVLKNHYSGIP-SDDRHHMPSA-N 2 1 244.448 2.433 20 0 BEADMP C[C@H]1C[N@H+]([C@H]2CCCC(C)(C)C2)C[C@H]1C[NH3+] ZINC001246539306 987902827 /nfs/dbraw/zinc/90/28/27/987902827.db2.gz HMRHMIUOXIVJDM-XQQFMLRXSA-N 2 1 224.392 2.482 20 0 BEADMP CCCCC[C@H](CCC)[N@H+]1C[C@H](O)C[C@H]([NH3+])C1 ZINC001246541593 987907947 /nfs/dbraw/zinc/90/79/47/987907947.db2.gz OYPKEPAQTSKJAV-MELADBBJSA-N 2 1 242.407 2.129 20 0 BEADMP CCCCC[C@H](CCC)[N@@H+]1C[C@H](O)C[C@H]([NH3+])C1 ZINC001246541593 987907955 /nfs/dbraw/zinc/90/79/55/987907955.db2.gz OYPKEPAQTSKJAV-MELADBBJSA-N 2 1 242.407 2.129 20 0 BEADMP CCCCC[C@@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246542538 987909011 /nfs/dbraw/zinc/90/90/11/987909011.db2.gz QEWOGKAMTZZMLV-YNEHKIRRSA-N 2 1 212.381 2.482 20 0 BEADMP [NH3+][C@@H]1CCC[N@H+]([C@H]2Cc3cccc(F)c3C2)CC1 ZINC001246542997 987913699 /nfs/dbraw/zinc/91/36/99/987913699.db2.gz QWZBYFANCUUZIX-OLZOCXBDSA-N 2 1 248.345 2.106 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1[C@@H]1CCc2cc(F)ccc2C1 ZINC001246546744 987927191 /nfs/dbraw/zinc/92/71/91/987927191.db2.gz BKLJGBBFRCVDKE-VCTAVGKDSA-N 2 1 248.345 2.105 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1[C@@H]1CCc2cc(F)ccc2C1 ZINC001246546744 987927197 /nfs/dbraw/zinc/92/71/97/987927197.db2.gz BKLJGBBFRCVDKE-VCTAVGKDSA-N 2 1 248.345 2.105 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1[C@H]1Cc2cccc(F)c2C1 ZINC001246548146 987935539 /nfs/dbraw/zinc/93/55/39/987935539.db2.gz RJEARNNYMIFELY-DRZSPHRISA-N 2 1 248.345 2.105 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1[C@H]1Cc2cccc(F)c2C1 ZINC001246548146 987935550 /nfs/dbraw/zinc/93/55/50/987935550.db2.gz RJEARNNYMIFELY-DRZSPHRISA-N 2 1 248.345 2.105 20 0 BEADMP C[C@H](Cc1ccncc1)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246548385 987938465 /nfs/dbraw/zinc/93/84/65/987938465.db2.gz GKXQUCGGILPRRI-HIFRSBDPSA-N 2 1 247.386 2.216 20 0 BEADMP CC(C)OCC[C@H](C)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246552904 987950706 /nfs/dbraw/zinc/95/07/06/987950706.db2.gz QBZCPODKBJHSDY-UONOGXRCSA-N 2 1 242.407 2.393 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC001117953795 987967840 /nfs/dbraw/zinc/96/78/40/987967840.db2.gz PYZMOZPPFROYHI-QMMMGPOBSA-N 2 1 246.276 2.192 20 0 BEADMP Cc1cc(N[C@H]2CCCC[C@H]2[NH+](C)C)nc(C)[nH+]1 ZINC001321708408 987972360 /nfs/dbraw/zinc/97/23/60/987972360.db2.gz SVYSYVUUBFUPFR-QWHCGFSZSA-N 2 1 248.374 2.378 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)C1 ZINC001246559836 987982286 /nfs/dbraw/zinc/98/22/86/987982286.db2.gz TZIRKJMWUMGSHA-VWYCJHECSA-N 2 1 232.318 2.091 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)C1 ZINC001246561455 987997314 /nfs/dbraw/zinc/99/73/14/987997314.db2.gz SUMGDYFFCQGTCT-MQYQWHSLSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H](CC1CC1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246563696 988006083 /nfs/dbraw/zinc/00/60/83/988006083.db2.gz XNYZMGKPMNROIE-DYEKYZERSA-N 2 1 224.392 2.482 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCCOc2ccccc21 ZINC001118122039 988026321 /nfs/dbraw/zinc/02/63/21/988026321.db2.gz NBTYWEAXLLFZJE-TZMCWYRMSA-N 2 1 248.370 2.488 20 0 BEADMP [NH3+][C@H]1CC[N@@H+](C2CCC3(CC3)CC2)CC[C@@H]1F ZINC001246568612 988039520 /nfs/dbraw/zinc/03/95/20/988039520.db2.gz ANBLHAHKRISXII-STQMWFEESA-N 2 1 240.366 2.470 20 0 BEADMP [NH3+][C@H]1CC[N@H+](C2CCC3(CC3)CC2)CC[C@@H]1F ZINC001246568612 988039535 /nfs/dbraw/zinc/03/95/35/988039535.db2.gz ANBLHAHKRISXII-STQMWFEESA-N 2 1 240.366 2.470 20 0 BEADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@H](C)[C@@H](C)C1 ZINC001246572965 988071973 /nfs/dbraw/zinc/07/19/73/988071973.db2.gz LNHDZFKQQNZENQ-AVGNSLFASA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C)[C@H](C)C2)CC[NH2+]1 ZINC001246578155 988091819 /nfs/dbraw/zinc/09/18/19/988091819.db2.gz YJQMPHGCOLYBLB-SYQHCUMBSA-N 2 1 224.392 2.495 20 0 BEADMP CSCC[C@@H](C)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246580938 988116425 /nfs/dbraw/zinc/11/64/25/988116425.db2.gz JCAFOVJBKGDBBC-VXGBXAGGSA-N 2 1 230.421 2.189 20 0 BEADMP C[C@@H](CC1CC1)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246584473 988131031 /nfs/dbraw/zinc/13/10/31/988131031.db2.gz WZDFAWCKJRJDJS-AAEUAGOBSA-N 2 1 228.355 2.328 20 0 BEADMP C[C@@H](CC1CC1)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246584473 988131037 /nfs/dbraw/zinc/13/10/37/988131037.db2.gz WZDFAWCKJRJDJS-AAEUAGOBSA-N 2 1 228.355 2.328 20 0 BEADMP CCCC[C@H](C)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246585412 988138511 /nfs/dbraw/zinc/13/85/11/988138511.db2.gz KHALVSDSMUOPPU-TUAOUCFPSA-N 2 1 216.344 2.326 20 0 BEADMP CCCC[C@H](C)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246585412 988138524 /nfs/dbraw/zinc/13/85/24/988138524.db2.gz KHALVSDSMUOPPU-TUAOUCFPSA-N 2 1 216.344 2.326 20 0 BEADMP C[C@H](Cc1ccccn1)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246592533 988178248 /nfs/dbraw/zinc/17/82/48/988178248.db2.gz KBGCQTOZJRHHAP-ZIAGYGMSSA-N 2 1 247.386 2.073 20 0 BEADMP C[C@H]1C[C@@H]([N@H+]2CCCC[C@](C)(C[NH3+])C2)CCO1 ZINC001246594248 988190858 /nfs/dbraw/zinc/19/08/58/988190858.db2.gz PIEDEAYFKWHYIY-MELADBBJSA-N 2 1 240.391 2.005 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](C2CCCCCC2)CC[C@H]1F ZINC001246596114 988195992 /nfs/dbraw/zinc/19/59/92/988195992.db2.gz ZGIMYVYSXZMMQG-CHWSQXEVSA-N 2 1 228.355 2.470 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](C2CCCCCC2)CC[C@H]1F ZINC001246596114 988196006 /nfs/dbraw/zinc/19/60/06/988196006.db2.gz ZGIMYVYSXZMMQG-CHWSQXEVSA-N 2 1 228.355 2.470 20 0 BEADMP C[NH2+]CC1C[NH+]([C@@H](C)CCCC(C)C)C1 ZINC001246597451 988197905 /nfs/dbraw/zinc/19/79/05/988197905.db2.gz MDJPUDNLBWCEHI-LBPRGKRZSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H](CC1CC1)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246613396 988234728 /nfs/dbraw/zinc/23/47/28/988234728.db2.gz YWYDPKQYAJYZID-JSGCOSHPSA-N 2 1 222.376 2.393 20 0 BEADMP Cn1cncc1CCC[N@H+]1CC(C)(C)C1(C)C ZINC001118367703 988257576 /nfs/dbraw/zinc/25/75/76/988257576.db2.gz BJKNCDZDDYPSJD-UHFFFAOYSA-N 2 1 235.375 2.473 20 0 BEADMP CC[C@@H](CC(C)C)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246624438 988279026 /nfs/dbraw/zinc/27/90/26/988279026.db2.gz PMGWBZZPIMGLKA-MELADBBJSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)CCC[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246628165 988300942 /nfs/dbraw/zinc/30/09/42/988300942.db2.gz XUWRHDFHZITTDJ-MCIONIFRSA-N 2 1 224.392 2.352 20 0 BEADMP CC(C)CC[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246636198 988323516 /nfs/dbraw/zinc/32/35/16/988323516.db2.gz FORKKPOBYIFSCZ-YNEHKIRRSA-N 2 1 210.365 2.247 20 0 BEADMP CC(C)CC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246636198 988323533 /nfs/dbraw/zinc/32/35/33/988323533.db2.gz FORKKPOBYIFSCZ-YNEHKIRRSA-N 2 1 210.365 2.247 20 0 BEADMP CC[C@@H](CC(C)C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246635134 988324175 /nfs/dbraw/zinc/32/41/75/988324175.db2.gz BSZFQDLWTPNLJJ-YNEHKIRRSA-N 2 1 210.365 2.247 20 0 BEADMP C1C[C@@H]2[C@H](CC[N@H+]2C2CCCCCC2)[NH2+]1 ZINC001246637518 988333774 /nfs/dbraw/zinc/33/37/74/988333774.db2.gz ZIWUCUXKKPQASX-QWHCGFSZSA-N 2 1 208.349 2.145 20 0 BEADMP C[C@H]1CC[C@H]([N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)C[NH2+]1 ZINC001246640481 988334525 /nfs/dbraw/zinc/33/45/25/988334525.db2.gz UONSFSKAHKTOKM-YFKTTZPYSA-N 2 1 244.329 2.104 20 0 BEADMP CC[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246640307 988336017 /nfs/dbraw/zinc/33/60/17/988336017.db2.gz SBRGLLAOYXLWIT-FDYHWXHSSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@H](CC1CC1)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246640756 988346321 /nfs/dbraw/zinc/34/63/21/988346321.db2.gz CEZCTYCLBNGAET-OCCSQVGLSA-N 2 1 222.376 2.393 20 0 BEADMP CCC[C@H](Cc1ccccc1)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246644741 988354053 /nfs/dbraw/zinc/35/40/53/988354053.db2.gz LLHNZUKWKHFYFT-XHSDSOJGSA-N 2 1 244.382 2.431 20 0 BEADMP CCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246644741 988354066 /nfs/dbraw/zinc/35/40/66/988354066.db2.gz LLHNZUKWKHFYFT-XHSDSOJGSA-N 2 1 244.382 2.431 20 0 BEADMP C1[C@@H]2C[C@H]([N@H+]3CCCC[C@@]34CC[NH2+]C4)C[C@H]12 ZINC001246645852 988364054 /nfs/dbraw/zinc/36/40/54/988364054.db2.gz WSKZRICTSLUXDG-DGAVXFQQSA-N 2 1 220.360 2.003 20 0 BEADMP CC(C)=CCC[C@@H](C)[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246653108 988378630 /nfs/dbraw/zinc/37/86/30/988378630.db2.gz RESUKXIHIBNUCH-HZSPNIEDSA-N 2 1 222.376 2.415 20 0 BEADMP CC(C)=CCC[C@@H](C)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246653108 988378645 /nfs/dbraw/zinc/37/86/45/988378645.db2.gz RESUKXIHIBNUCH-HZSPNIEDSA-N 2 1 222.376 2.415 20 0 BEADMP C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)C[NH2+]1 ZINC001246654517 988379707 /nfs/dbraw/zinc/37/97/07/988379707.db2.gz ICSDDTWLEVWPPT-QCNOEVLYSA-N 2 1 244.329 2.104 20 0 BEADMP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246653441 988380131 /nfs/dbraw/zinc/38/01/31/988380131.db2.gz SZABWMCKKATUHC-XDQVBPFNSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)CC(C)(C)C1 ZINC001246655317 988383304 /nfs/dbraw/zinc/38/33/04/988383304.db2.gz HENGGZJFUBQPRD-KVSVUVNWSA-N 2 1 222.376 2.090 20 0 BEADMP C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)CC(C)(C)C1 ZINC001246655319 988383512 /nfs/dbraw/zinc/38/35/12/988383512.db2.gz HENGGZJFUBQPRD-OBPIAQAESA-N 2 1 222.376 2.090 20 0 BEADMP CCCC[C@@H](C)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246658850 988385176 /nfs/dbraw/zinc/38/51/76/988385176.db2.gz AYDZLGPCTXSDMD-JHJVBQTASA-N 2 1 210.365 2.378 20 0 BEADMP CCCCC[C@@H](C)[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246655694 988386591 /nfs/dbraw/zinc/38/65/91/988386591.db2.gz ZJLOHMYLNVFRMD-FRRDWIJNSA-N 2 1 210.365 2.249 20 0 BEADMP CCCCC[C@@H](C)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246655694 988386605 /nfs/dbraw/zinc/38/66/05/988386605.db2.gz ZJLOHMYLNVFRMD-FRRDWIJNSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)CC(C)(C)C1 ZINC001246659784 988392739 /nfs/dbraw/zinc/39/27/39/988392739.db2.gz HENGGZJFUBQPRD-NJMOYASZSA-N 2 1 222.376 2.090 20 0 BEADMP CC[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)C1 ZINC001246662296 988399395 /nfs/dbraw/zinc/39/93/95/988399395.db2.gz ZJCUOSUOCJVSCZ-SYQHCUMBSA-N 2 1 222.376 2.249 20 0 BEADMP CC[C@H](C[C@@H](C)CC)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246665553 988403478 /nfs/dbraw/zinc/40/34/78/988403478.db2.gz QOEXGGLBJOXHEE-REWJHTLYSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](C[C@@H](C)CC)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246665553 988403488 /nfs/dbraw/zinc/40/34/88/988403488.db2.gz QOEXGGLBJOXHEE-REWJHTLYSA-N 2 1 224.392 2.495 20 0 BEADMP CCCC1CCC([N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)CC1 ZINC001246664507 988405469 /nfs/dbraw/zinc/40/54/69/988405469.db2.gz RBIBDJYQZYOJOD-MOIJGLSHSA-N 2 1 222.376 2.234 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](c3ccncc3)C2)CC[NH2+]1 ZINC001246774102 988452732 /nfs/dbraw/zinc/45/27/32/988452732.db2.gz COTYVIFTYIEHGP-SNPRPXQTSA-N 2 1 245.370 2.011 20 0 BEADMP CCCC[N@@H+](CCC)[C@H](C)CC[NH2+]C ZINC001246773953 988452869 /nfs/dbraw/zinc/45/28/69/988452869.db2.gz DLJNWFRNIVMSQM-GFCCVEGCSA-N 2 1 200.370 2.497 20 0 BEADMP Fc1ccccc1[C@@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC001246808123 988488256 /nfs/dbraw/zinc/48/82/56/988488256.db2.gz RIGHAWPWIUIWPQ-GFCCVEGCSA-N 2 1 248.345 2.367 20 0 BEADMP c1ccc([C@@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)nc1 ZINC001246808157 988489499 /nfs/dbraw/zinc/48/94/99/988489499.db2.gz RNBGSGRDZUOBHR-CYBMUJFWSA-N 2 1 245.370 2.013 20 0 BEADMP COC(C)(C)[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246810617 988490914 /nfs/dbraw/zinc/49/09/14/988490914.db2.gz PKQAUCABJYPPAP-AGIUHOORSA-N 2 1 240.391 2.016 20 0 BEADMP COC(C)(C)[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246811811 988497519 /nfs/dbraw/zinc/49/75/19/988497519.db2.gz XMXHUXTUYZPDAC-AVGNSLFASA-N 2 1 240.391 2.016 20 0 BEADMP CCCCC[C@H](CCC)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001246823404 988508994 /nfs/dbraw/zinc/50/89/94/988508994.db2.gz GFSMVEDUALUGSB-KBPBESRZSA-N 2 1 242.407 2.395 20 0 BEADMP CCC(CC)[N@@H+](CC)[C@@H](C)CC[NH2+]C ZINC001246838699 988521757 /nfs/dbraw/zinc/52/17/57/988521757.db2.gz DWTLEVBHJHPXBG-NSHDSACASA-N 2 1 200.370 2.495 20 0 BEADMP C[C@@H]1CC([N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])C[C@@H](C)C1 ZINC001246839064 988542815 /nfs/dbraw/zinc/54/28/15/988542815.db2.gz APYZHVUHTQJOEZ-BAYHKCFCSA-N 2 1 236.403 2.480 20 0 BEADMP CC[C@H](CC(C)C)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246840162 988544677 /nfs/dbraw/zinc/54/46/77/988544677.db2.gz FKNVMMLJTKGVPX-XJFOESAGSA-N 2 1 224.392 2.480 20 0 BEADMP C[C@@H]1CC[C@@H]([N@@H+]2CCCCC23CC3)C[NH2+]1 ZINC001246844636 988558884 /nfs/dbraw/zinc/55/88/84/988558884.db2.gz JVFSXIHXRQAKFT-VXGBXAGGSA-N 2 1 208.349 2.145 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CCCCC23CC3)C[NH2+]1 ZINC001246844636 988558895 /nfs/dbraw/zinc/55/88/95/988558895.db2.gz JVFSXIHXRQAKFT-VXGBXAGGSA-N 2 1 208.349 2.145 20 0 BEADMP Fc1ccc([C@@H]2CC[N@H+](C3CC[NH2+]CC3)C2)cc1 ZINC001246849832 988563980 /nfs/dbraw/zinc/56/39/80/988563980.db2.gz SGYFDWFEYSHDGD-CYBMUJFWSA-N 2 1 248.345 2.367 20 0 BEADMP CC1(C)CCC[C@H]([N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)C1 ZINC001246857031 988581664 /nfs/dbraw/zinc/58/16/64/988581664.db2.gz ZBAXGEYHZXYKBB-OBJOEFQTSA-N 2 1 222.376 2.378 20 0 BEADMP Cc1ccc(C[C@H](C)[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001246858703 988585888 /nfs/dbraw/zinc/58/58/88/988585888.db2.gz HYAVMZRXHBILKG-BPUTZDHNSA-N 2 1 244.382 2.349 20 0 BEADMP CC[C@@H](CC(C)C)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246867516 988620863 /nfs/dbraw/zinc/62/08/63/988620863.db2.gz OMZYGJCPVPXRMU-IHRRRGAJSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]1CCC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)C1 ZINC001246867592 988623196 /nfs/dbraw/zinc/62/31/96/988623196.db2.gz PMPOMMLRPUTAOX-XDQVBPFNSA-N 2 1 222.376 2.249 20 0 BEADMP C[NH2+]CC[C@H](C)[N@H+]1Cc2ccccc2C[C@@H]1C ZINC001246874053 988633579 /nfs/dbraw/zinc/63/35/79/988633579.db2.gz UVBNDJVPWHJJTD-STQMWFEESA-N 2 1 232.371 2.431 20 0 BEADMP COc1cccc2c1C[N@@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246870858 988636409 /nfs/dbraw/zinc/63/64/09/988636409.db2.gz LBAACNUYTCRATG-DGCLKSJQSA-N 2 1 246.354 2.151 20 0 BEADMP COc1cccc2c1C[N@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246870858 988636416 /nfs/dbraw/zinc/63/64/16/988636416.db2.gz LBAACNUYTCRATG-DGCLKSJQSA-N 2 1 246.354 2.151 20 0 BEADMP C[C@H]1C[C@@H]([NH+]2CC3CCC(CC3)C2)CC[NH2+]1 ZINC001246881026 988651284 /nfs/dbraw/zinc/65/12/84/988651284.db2.gz GKTOHDYJRUAMNW-ABXWRUBCSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1C[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C2(CC2)C1 ZINC001246895952 988669741 /nfs/dbraw/zinc/66/97/41/988669741.db2.gz RKWFQJWLQWPNCK-QJPTWQEYSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@@H]1C[N@@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C2(CC2)C1 ZINC001246895954 988671825 /nfs/dbraw/zinc/67/18/25/988671825.db2.gz RKWFQJWLQWPNCK-SDDRHHMPSA-N 2 1 208.349 2.001 20 0 BEADMP C1CC[C@H]2[C@H](C1)CCC[N@H+]2[C@H]1CCC[NH2+]C1 ZINC001246918889 988732075 /nfs/dbraw/zinc/73/20/75/988732075.db2.gz HBTGAYJPEGRVRI-RDBSUJKOSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@H]1CCC[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246928733 988753186 /nfs/dbraw/zinc/75/31/86/988753186.db2.gz BTMCBCPGVNNINB-XQLPTFJDSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CC[C@@H]([N@@H+]2CCCC3(CCC3)C2)C[NH2+]1 ZINC001246943509 988773060 /nfs/dbraw/zinc/77/30/60/988773060.db2.gz UNONMYTYQTZIOO-CHWSQXEVSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CCCC3(CCC3)C2)C[NH2+]1 ZINC001246943509 988773070 /nfs/dbraw/zinc/77/30/70/988773070.db2.gz UNONMYTYQTZIOO-CHWSQXEVSA-N 2 1 222.376 2.393 20 0 BEADMP CC[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246941956 988776140 /nfs/dbraw/zinc/77/61/40/988776140.db2.gz MVMVGWALVRBVLB-KBXIAJHMSA-N 2 1 236.403 2.497 20 0 BEADMP CCCC[C@H](CCC)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246946815 988781656 /nfs/dbraw/zinc/78/16/56/988781656.db2.gz HVFDKURMROLXKI-IGQOVBAYSA-N 2 1 224.392 2.495 20 0 BEADMP CCCCCC[C@H](C)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246951296 988784326 /nfs/dbraw/zinc/78/43/26/988784326.db2.gz ZWDXXSDBXKYWKQ-IGQOVBAYSA-N 2 1 224.392 2.495 20 0 BEADMP CCCCC[C@@H](CC)[N@@H+]1C[C@@H](OC)[C@@H](N)C1 ZINC001246982961 988817181 /nfs/dbraw/zinc/81/71/81/988817181.db2.gz LGMIVICJYIOBIK-FRRDWIJNSA-N 2 1 228.380 2.003 20 0 BEADMP CCCCC[C@@H](CC)N1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982961 988817185 /nfs/dbraw/zinc/81/71/85/988817185.db2.gz LGMIVICJYIOBIK-FRRDWIJNSA-N 2 1 228.380 2.003 20 0 BEADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]CCC[C@H]1CCO1 ZINC001119243789 988858788 /nfs/dbraw/zinc/85/87/88/988858788.db2.gz YEFZANPGCVBPJX-MELADBBJSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1cccnc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC001324757229 988973467 /nfs/dbraw/zinc/97/34/67/988973467.db2.gz JEWXVMJXCSMZBU-AWEZNQCLSA-N 2 1 247.386 2.212 20 0 BEADMP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cs1 ZINC001119348188 988990172 /nfs/dbraw/zinc/99/01/72/988990172.db2.gz YHBLHLKHKWSIQL-VXGBXAGGSA-N 2 1 224.373 2.416 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+]Cc1ccccc1Cl ZINC001325625938 989221196 /nfs/dbraw/zinc/22/11/96/989221196.db2.gz OAJFQPVBIUQVSS-SNVBAGLBSA-N 2 1 226.751 2.428 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)C2(Cl)CC2)C1 ZINC001119623189 989252771 /nfs/dbraw/zinc/25/27/71/989252771.db2.gz FWZKVHVFIQLMFM-VXGBXAGGSA-N 2 1 244.810 2.468 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cccc(F)c3)[C@@H]2C1 ZINC001308554301 991034817 /nfs/dbraw/zinc/03/48/17/991034817.db2.gz NVQJHFJYTGZLGU-NWANDNLSSA-N 2 1 248.345 2.256 20 0 BEADMP C[C@H](Cc1ccco1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258188507 991102147 /nfs/dbraw/zinc/10/21/47/991102147.db2.gz LJIZJNKPLWMBAL-MCIONIFRSA-N 2 1 248.370 2.094 20 0 BEADMP C[C@H](Cc1ccco1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001258188507 991102154 /nfs/dbraw/zinc/10/21/54/991102154.db2.gz LJIZJNKPLWMBAL-MCIONIFRSA-N 2 1 248.370 2.094 20 0 BEADMP C[C@H](Cc1ccco1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001258188507 991102165 /nfs/dbraw/zinc/10/21/65/991102165.db2.gz LJIZJNKPLWMBAL-MCIONIFRSA-N 2 1 248.370 2.094 20 0 BEADMP CSCC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001258202720 991118410 /nfs/dbraw/zinc/11/84/10/991118410.db2.gz SLYIQRRSMKKALE-FVCCEPFGSA-N 2 1 242.432 2.343 20 0 BEADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)CCSC)C[C@@H]2C1 ZINC001258227858 991164192 /nfs/dbraw/zinc/16/41/92/991164192.db2.gz HJKDKHDJTTUUIG-UPJWGTAASA-N 2 1 242.432 2.012 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H](C)CCSC)C[C@@H]2C1 ZINC001258227858 991164201 /nfs/dbraw/zinc/16/42/01/991164201.db2.gz HJKDKHDJTTUUIG-UPJWGTAASA-N 2 1 242.432 2.012 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)CCSC)C[C@@H]2C1 ZINC001258227858 991164218 /nfs/dbraw/zinc/16/42/18/991164218.db2.gz HJKDKHDJTTUUIG-UPJWGTAASA-N 2 1 242.432 2.012 20 0 BEADMP C[C@H](CC1CC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001258449124 991396430 /nfs/dbraw/zinc/39/64/30/991396430.db2.gz VFAFQMCGAVQHBJ-RUZUBIRVSA-N 2 1 222.376 2.390 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1CCCC1 ZINC001560263567 991444957 /nfs/dbraw/zinc/44/49/57/991444957.db2.gz BBBBUBUIKOOFTF-UHFFFAOYSA-N 2 1 233.359 2.427 20 0 BEADMP C[C@@H](CC1CC1)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001258474600 991447237 /nfs/dbraw/zinc/44/72/37/991447237.db2.gz VBRJFJTZLWGLMH-IACUBPJLSA-N 2 1 222.376 2.059 20 0 BEADMP C1[C@H]2CCC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)[C@@H]12 ZINC001560500814 991487900 /nfs/dbraw/zinc/48/79/00/991487900.db2.gz DNFJOCUWIWKGKC-SEBNEYGDSA-N 2 1 234.387 2.391 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001258601153 991505900 /nfs/dbraw/zinc/50/59/00/991505900.db2.gz QHHIWLOWSILSNZ-RDBSUJKOSA-N 2 1 236.403 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001258601153 991505909 /nfs/dbraw/zinc/50/59/09/991505909.db2.gz QHHIWLOWSILSNZ-RDBSUJKOSA-N 2 1 236.403 2.449 20 0 BEADMP C[C@H](CC1CCC1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001561052479 991706299 /nfs/dbraw/zinc/70/62/99/991706299.db2.gz BZENTAHWHLDEKX-FAAHXZRKSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@H](CC1CCC1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001561052480 991707807 /nfs/dbraw/zinc/70/78/07/991707807.db2.gz BZENTAHWHLDEKX-NMFUWQPSSA-N 2 1 236.403 2.495 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12)C1CCC1 ZINC001561053639 991709289 /nfs/dbraw/zinc/70/92/89/991709289.db2.gz XZYWYUREPOJRHZ-APIJFGDWSA-N 2 1 236.403 2.495 20 0 BEADMP CCC[NH+]1CCC([N@@H+]2CC[C@H](C)C2)CC1 ZINC001258771920 991739023 /nfs/dbraw/zinc/73/90/23/991739023.db2.gz BMFUCWHHYUIQBK-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP CCC[NH+]1CCC([N@H+]2CC[C@H](C)C2)CC1 ZINC001258771920 991739030 /nfs/dbraw/zinc/73/90/30/991739030.db2.gz BMFUCWHHYUIQBK-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP c1c[nH+]c(C2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC001318996217 991759912 /nfs/dbraw/zinc/75/99/12/991759912.db2.gz BJVBNXKEMBJXFQ-UHFFFAOYSA-N 2 1 228.299 2.189 20 0 BEADMP COCCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001319393511 991856354 /nfs/dbraw/zinc/85/63/54/991856354.db2.gz LUXCNYBRSVJNIM-IHRRRGAJSA-N 2 1 242.407 2.264 20 0 BEADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCC[C@@H](C)C3)C[C@@H]2C1 ZINC001258830991 991863803 /nfs/dbraw/zinc/86/38/03/991863803.db2.gz XGLJTDHKOBUZRD-APIJFGDWSA-N 2 1 236.403 2.449 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCC[C@@H](C)C3)C[C@@H]2C1 ZINC001258830991 991863809 /nfs/dbraw/zinc/86/38/09/991863809.db2.gz XGLJTDHKOBUZRD-APIJFGDWSA-N 2 1 236.403 2.449 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCC[C@@H](C)C3)C[C@@H]2C1 ZINC001258830991 991863819 /nfs/dbraw/zinc/86/38/19/991863819.db2.gz XGLJTDHKOBUZRD-APIJFGDWSA-N 2 1 236.403 2.449 20 0 BEADMP CS[C@@H]1CC[C@H]([N@@H+](C)CCn2ccnc2)C1 ZINC001319441768 991870852 /nfs/dbraw/zinc/87/08/52/991870852.db2.gz CSCLBPBDZVKHHN-NWDGAFQWSA-N 2 1 239.388 2.099 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CCN)C(C)C ZINC001258898291 991891711 /nfs/dbraw/zinc/89/17/11/991891711.db2.gz HQUKKCHAPGYPCQ-CQSZACIVSA-N 2 1 243.439 2.166 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC001261424620 992297751 /nfs/dbraw/zinc/29/77/51/992297751.db2.gz ZETOSAOIVUJHDW-ZJUUUORDSA-N 2 1 241.766 2.384 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCCc2cccnc21 ZINC001261424502 992298748 /nfs/dbraw/zinc/29/87/48/992298748.db2.gz WBDITYFJMGRDEC-DGCLKSJQSA-N 2 1 233.359 2.047 20 0 BEADMP CCC[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](CC)C1)OC ZINC001262008727 992592224 /nfs/dbraw/zinc/59/22/24/992592224.db2.gz WNCLOTQIIWJNIR-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP COc1cccc(F)c1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC001262482352 992888896 /nfs/dbraw/zinc/88/88/96/992888896.db2.gz AIKDKIIPHVKXAP-VHSXEESVSA-N 2 1 240.322 2.050 20 0 BEADMP CC(C)(C)c1ccc(C[NH2+]C2CC([NH3+])C2)o1 ZINC001575275969 993003551 /nfs/dbraw/zinc/00/35/51/993003551.db2.gz UCRKJMUEWDJBOM-UHFFFAOYSA-N 2 1 222.332 2.156 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc2scnc2c1 ZINC001575460595 993045428 /nfs/dbraw/zinc/04/54/28/993045428.db2.gz MISMCJSKGXHNBT-LLVKDONJSA-N 2 1 249.383 2.369 20 0 BEADMP CC(C)[C@@H]1CCCCC[N@H+]1C[C@]12C[C@H]1C[NH2+]C2 ZINC001575499628 993059251 /nfs/dbraw/zinc/05/92/51/993059251.db2.gz FLNIKPYYVQADEF-SOUVJXGZSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)C1CC([NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)C1 ZINC001575499643 993060018 /nfs/dbraw/zinc/06/00/18/993060018.db2.gz VLXYKDYKQXCJJK-GMZKHCIJSA-N 2 1 224.392 2.397 20 0 BEADMP CC(C)C1CC([NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)C1 ZINC001575499647 993060329 /nfs/dbraw/zinc/06/03/29/993060329.db2.gz VLXYKDYKQXCJJK-KPHYFBGPSA-N 2 1 224.392 2.397 20 0 BEADMP CC(C)[C@@H]1[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC12CCC2 ZINC001575519482 993063994 /nfs/dbraw/zinc/06/39/94/993063994.db2.gz CNTRXNRBJQXGTQ-XQQFMLRXSA-N 2 1 222.376 2.234 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cnc2c(F)cccc2c1 ZINC001576103144 993181513 /nfs/dbraw/zinc/18/15/13/993181513.db2.gz KZKJGIBPAXOGNK-UWVGGRQHSA-N 2 1 247.317 2.199 20 0 BEADMP CCc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)nc1 ZINC000379298534 993240367 /nfs/dbraw/zinc/24/03/67/993240367.db2.gz YJSGNCCOSFVSQV-AWEZNQCLSA-N 2 1 247.386 2.205 20 0 BEADMP C[C@H](CC1CC1)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000379855305 993286926 /nfs/dbraw/zinc/28/69/26/993286926.db2.gz BSZWEZJIMBIUCZ-DGCLKSJQSA-N 2 1 210.365 2.236 20 0 BEADMP CC1(C)CC[C@H](C[NH2+]C2CC(C(F)F)C2)[NH2+]C1 ZINC001576421556 993299054 /nfs/dbraw/zinc/29/90/54/993299054.db2.gz NRXSVTOJKQHNRN-HSOILSAZSA-N 2 1 246.345 2.398 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cs1 ZINC000381590762 993406677 /nfs/dbraw/zinc/40/66/77/993406677.db2.gz CZHYKKMXQSEIAM-CHWSQXEVSA-N 2 1 236.384 2.240 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cs1 ZINC000381590762 993406680 /nfs/dbraw/zinc/40/66/80/993406680.db2.gz CZHYKKMXQSEIAM-CHWSQXEVSA-N 2 1 236.384 2.240 20 0 BEADMP C[C@H]1C[N@@H+](CC2(C[NH3+])CCC2)CCC1(F)F ZINC001576800767 993428102 /nfs/dbraw/zinc/42/81/02/993428102.db2.gz LPOJBFILYNGHHQ-JTQLQIEISA-N 2 1 232.318 2.093 20 0 BEADMP C[C@@H]1C[N@@H+](CCSC(C)(C)C)CC[C@H]1C[NH3+] ZINC001576807267 993430213 /nfs/dbraw/zinc/43/02/13/993430213.db2.gz OZUNNOSCAGXQDD-NEPJUHHUSA-N 2 1 244.448 2.435 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C/C=C/C2CC2)CC[N@H+]1C ZINC000382312865 993448684 /nfs/dbraw/zinc/44/86/84/993448684.db2.gz QPCUKPDTDLLCIG-WTQORWENSA-N 2 1 208.349 2.025 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C[C@H]1C ZINC000383850671 993525828 /nfs/dbraw/zinc/52/58/28/993525828.db2.gz LYDGBPPBNAKORF-MRLBHPIUSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C[C@H]1C ZINC000383850671 993525839 /nfs/dbraw/zinc/52/58/39/993525839.db2.gz LYDGBPPBNAKORF-MRLBHPIUSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C[C@H]1C ZINC000383850677 993528260 /nfs/dbraw/zinc/52/82/60/993528260.db2.gz LYDGBPPBNAKORF-ZSAUSMIDSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C[C@H]1C ZINC000383850677 993528275 /nfs/dbraw/zinc/52/82/75/993528275.db2.gz LYDGBPPBNAKORF-ZSAUSMIDSA-N 2 1 236.403 2.495 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2CC[NH2+]C[C@@H](C)C2)c1 ZINC000385299373 993657300 /nfs/dbraw/zinc/65/73/00/993657300.db2.gz KPWVWEHBRDUOAC-CYBMUJFWSA-N 2 1 232.371 2.345 20 0 BEADMP N#Cc1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cc1 ZINC000386338135 993685538 /nfs/dbraw/zinc/68/55/38/993685538.db2.gz LDDNTCPFYKSRAP-HNNXBMFYSA-N 2 1 243.354 2.119 20 0 BEADMP Cc1cncc(C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000387373265 993709309 /nfs/dbraw/zinc/70/93/09/993709309.db2.gz GJLUMAHWOQNGHB-UHFFFAOYSA-N 2 1 247.386 2.352 20 0 BEADMP C[C@@]1([NH3+])CC[N@H+](CC2(c3ccccc3)CC2)C1 ZINC000702836188 994048374 /nfs/dbraw/zinc/04/83/74/994048374.db2.gz OTVTWHXQBRPVQF-CQSZACIVSA-N 2 1 230.355 2.141 20 0 BEADMP C[C@@]1([NH3+])CC[N@@H+](CC2(c3ccccc3)CC2)C1 ZINC000702836188 994048379 /nfs/dbraw/zinc/04/83/79/994048379.db2.gz OTVTWHXQBRPVQF-CQSZACIVSA-N 2 1 230.355 2.141 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CCc2ccccc21 ZINC001334389932 994590706 /nfs/dbraw/zinc/59/07/06/994590706.db2.gz KJPHHWZTUQXFDS-JGGQBBKZSA-N 2 1 244.382 2.447 20 0 BEADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CC3CC3)C[C@H]2C1 ZINC001335584634 994821110 /nfs/dbraw/zinc/82/11/10/994821110.db2.gz WXKFMLDIXIFISH-MGPQQGTHSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@H]1CCCC[N@@H+]1CCCNc1ccc(N)c[nH+]1 ZINC000020382981 1170152116 /nfs/dbraw/zinc/15/21/16/1170152116.db2.gz NUIKGVJDRPFOJR-LBPRGKRZSA-N 2 1 248.374 2.340 20 0 BEADMP C[C@H]1CCCC[N@H+]1CCCNc1ccc(N)c[nH+]1 ZINC000020382981 1170152120 /nfs/dbraw/zinc/15/21/20/1170152120.db2.gz NUIKGVJDRPFOJR-LBPRGKRZSA-N 2 1 248.374 2.340 20 0 BEADMP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001621570551 1170163364 /nfs/dbraw/zinc/16/33/64/1170163364.db2.gz XACUCJSLKICMMB-UQOMUDLDSA-N 2 1 236.403 2.495 20 0 BEADMP CC[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000036169885 1170197245 /nfs/dbraw/zinc/19/72/45/1170197245.db2.gz NQKRTTCXCHUPHP-LBPRGKRZSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@H]1C[C@H]1C[N@H+]1CCC(C)(C)NC(C)(C)C1 ZINC001621570402 1170851423 /nfs/dbraw/zinc/85/14/23/1170851423.db2.gz SYDSHKHFCQSOOU-RYUDHWBXSA-N 2 1 224.392 2.495 20 0 BEADMP CC[N@H+](Cc1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747493 1171152757 /nfs/dbraw/zinc/15/27/57/1171152757.db2.gz GABSEWZLKQLQMR-YIONKMFJSA-N 2 1 245.370 2.187 20 0 BEADMP CC[N@@H+](Cc1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747493 1171152764 /nfs/dbraw/zinc/15/27/64/1171152764.db2.gz GABSEWZLKQLQMR-YIONKMFJSA-N 2 1 245.370 2.187 20 0 BEADMP CC(C)([NH3+])C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000040926012 1171157083 /nfs/dbraw/zinc/15/70/83/1171157083.db2.gz OEBSIVPMNKEIDA-NWDGAFQWSA-N 2 1 210.365 2.236 20 0 BEADMP CC(C)([NH3+])C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000040926012 1171157087 /nfs/dbraw/zinc/15/70/87/1171157087.db2.gz OEBSIVPMNKEIDA-NWDGAFQWSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000043326920 1171278895 /nfs/dbraw/zinc/27/88/95/1171278895.db2.gz DCIHIAUBTFHRTO-OCCSQVGLSA-N 2 1 248.370 2.055 20 0 BEADMP C[N@@H+](CC[C@@H]1CCCC[NH2+]1)CC(C)(C)C ZINC000045074019 1171433325 /nfs/dbraw/zinc/43/33/25/1171433325.db2.gz HVVYVVRRZQGXGY-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CCCC1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC000049545614 1171704059 /nfs/dbraw/zinc/70/40/59/1171704059.db2.gz PUIZFAZRLVHFNE-CPCZMJQVSA-N 2 1 210.365 2.378 20 0 BEADMP CCCC1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC000049545614 1171704065 /nfs/dbraw/zinc/70/40/65/1171704065.db2.gz PUIZFAZRLVHFNE-CPCZMJQVSA-N 2 1 210.365 2.378 20 0 BEADMP [NH3+]CCCC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000050598418 1171819760 /nfs/dbraw/zinc/81/97/60/1171819760.db2.gz XACKUUHJOIDKBH-AWEZNQCLSA-N 2 1 218.344 2.215 20 0 BEADMP Cc1cccc(CC[N@@H+]2CC[NH2+]C[C@H](C)C2)c1 ZINC000051670990 1171908959 /nfs/dbraw/zinc/90/89/59/1171908959.db2.gz AUZHUQHRUBGPHH-AWEZNQCLSA-N 2 1 232.371 2.079 20 0 BEADMP C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1C ZINC000052547074 1171974360 /nfs/dbraw/zinc/97/43/60/1171974360.db2.gz CNUCZSHOSBDCPZ-CYBMUJFWSA-N 2 1 220.360 2.425 20 0 BEADMP CO[C@H](C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1ccccc1 ZINC000379241321 398141333 /nfs/dbraw/zinc/14/13/33/398141333.db2.gz WZKTUCDRJVNGKP-UMVBOHGHSA-N 2 1 248.370 2.043 20 0 BEADMP c1cn(CC[N@H+]2CCC[C@H]2C2CCC2)cn1 ZINC000161613343 349476480 /nfs/dbraw/zinc/47/64/80/349476480.db2.gz DNYPKBGLVNXRAQ-ZDUSSCGKSA-N 2 1 219.332 2.148 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1F ZINC000094338724 178001173 /nfs/dbraw/zinc/00/11/73/178001173.db2.gz KRIKQQXKAZOIGR-BXUZGUMPSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1F ZINC000094338724 178001174 /nfs/dbraw/zinc/00/11/74/178001174.db2.gz KRIKQQXKAZOIGR-BXUZGUMPSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)ccc1F ZINC000228060225 178007766 /nfs/dbraw/zinc/00/77/66/178007766.db2.gz VVVJAAIQBYLOBH-YPMHNXCESA-N 2 1 236.334 2.303 20 0 BEADMP FC1(F)C[C@@]12CC[N@@H+](CCCn1ccnc1)C2 ZINC000649907411 398181128 /nfs/dbraw/zinc/18/11/28/398181128.db2.gz QUKVLMSAVHENCF-LLVKDONJSA-N 2 1 241.285 2.004 20 0 BEADMP C[C@H]([NH2+][C@H]1CS[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423174062 398164057 /nfs/dbraw/zinc/16/40/57/398164057.db2.gz BDDPBPWMJLPKQE-WRWGMCAJSA-N 2 1 228.405 2.001 20 0 BEADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc2ccccc2n1 ZINC000423306765 398165930 /nfs/dbraw/zinc/16/59/30/398165930.db2.gz USFHSJSGMWIDEM-LLVKDONJSA-N 2 1 241.338 2.105 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083390566 398185668 /nfs/dbraw/zinc/18/56/68/398185668.db2.gz VKJTUBXRAAFNRQ-DYEKYZERSA-N 2 1 222.376 2.249 20 0 BEADMP CCC[N@H+](CC)CC[NH2+]CC1(COC)CCC1 ZINC000380159730 398189057 /nfs/dbraw/zinc/18/90/57/398189057.db2.gz KRGURKUSMVSMNP-UHFFFAOYSA-N 2 1 242.407 2.125 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+]CC1(COC)CCC1 ZINC000380159730 398189060 /nfs/dbraw/zinc/18/90/60/398189060.db2.gz KRGURKUSMVSMNP-UHFFFAOYSA-N 2 1 242.407 2.125 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCCN(c2cc[nH+]cc2Cl)C1 ZINC000086840023 398192136 /nfs/dbraw/zinc/19/21/36/398192136.db2.gz TWGIRNPLCNUOQN-ZJUUUORDSA-N 2 1 239.750 2.299 20 0 BEADMP Cc1cc(N2CC[C@H](c3[nH+]ccn3C)C2)cc[nH+]1 ZINC000336454981 178119690 /nfs/dbraw/zinc/11/96/90/178119690.db2.gz QWXWMLOWYCDTPQ-LBPRGKRZSA-N 2 1 242.326 2.117 20 0 BEADMP CC(C)CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000336712914 398205061 /nfs/dbraw/zinc/20/50/61/398205061.db2.gz VHQWXCVFGQJFDM-AVGNSLFASA-N 2 1 210.365 2.092 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647801160 398207606 /nfs/dbraw/zinc/20/76/06/398207606.db2.gz PZJIBIHRUHKRNL-XZDPQHSOSA-N 2 1 244.382 2.378 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647801157 398207765 /nfs/dbraw/zinc/20/77/65/398207765.db2.gz PZJIBIHRUHKRNL-DTZQCDIJSA-N 2 1 244.382 2.378 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000258814452 349518096 /nfs/dbraw/zinc/51/80/96/349518096.db2.gz KQEOUZXHELDFGC-LBPRGKRZSA-N 2 1 233.290 2.073 20 0 BEADMP Cc1[nH+]ccn1CCCNc1cc[nH+]c(C)c1 ZINC000274883559 178160494 /nfs/dbraw/zinc/16/04/94/178160494.db2.gz IBKAGDUEHSCQAS-UHFFFAOYSA-N 2 1 230.315 2.397 20 0 BEADMP Cc1cc(NC[C@@H]2[NH2+]CCCC2(C)C)nc(C)[nH+]1 ZINC000235904895 178166935 /nfs/dbraw/zinc/16/69/35/178166935.db2.gz KQAFIHANBHGIPY-LBPRGKRZSA-N 2 1 248.374 2.284 20 0 BEADMP Cc1cc(NC[C@H]2CCC[C@H]([NH3+])C2)nc(C)[nH+]1 ZINC000227670490 178169773 /nfs/dbraw/zinc/16/97/73/178169773.db2.gz JYXOYVRLYRRJTK-RYUDHWBXSA-N 2 1 234.347 2.023 20 0 BEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000070169342 398221633 /nfs/dbraw/zinc/22/16/33/398221633.db2.gz NACZYFVJAJJUKD-GFCCVEGCSA-N 2 1 236.334 2.387 20 0 BEADMP Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(C)[nH+]1 ZINC000107830479 178190555 /nfs/dbraw/zinc/19/05/55/178190555.db2.gz RDDKSZZHYDIWEP-QWHCGFSZSA-N 2 1 246.358 2.132 20 0 BEADMP Cc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)nc(C)[nH+]1 ZINC000107830479 178190557 /nfs/dbraw/zinc/19/05/57/178190557.db2.gz RDDKSZZHYDIWEP-QWHCGFSZSA-N 2 1 246.358 2.132 20 0 BEADMP Cc1cc([C@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)on1 ZINC000336523845 178266941 /nfs/dbraw/zinc/26/69/41/178266941.db2.gz FJWSQMOFZDUBCG-QWHCGFSZSA-N 2 1 249.358 2.120 20 0 BEADMP Cc1cc([C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)on1 ZINC000336523845 178266942 /nfs/dbraw/zinc/26/69/42/178266942.db2.gz FJWSQMOFZDUBCG-QWHCGFSZSA-N 2 1 249.358 2.120 20 0 BEADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@@H]1C ZINC000162149801 349576937 /nfs/dbraw/zinc/57/69/37/349576937.db2.gz JLVCENIRZQBVIT-UPJWGTAASA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@@H]1C ZINC000162149801 349576938 /nfs/dbraw/zinc/57/69/38/349576938.db2.gz JLVCENIRZQBVIT-UPJWGTAASA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@@H]1C ZINC000162149801 349576939 /nfs/dbraw/zinc/57/69/39/349576939.db2.gz JLVCENIRZQBVIT-UPJWGTAASA-N 2 1 210.365 2.201 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCSC(C)(C)C1 ZINC000162215743 349590050 /nfs/dbraw/zinc/59/00/50/349590050.db2.gz VMEGRCVMRPROSO-GFCCVEGCSA-N 2 1 242.432 2.298 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCSC(C)(C)C1 ZINC000162215743 349590053 /nfs/dbraw/zinc/59/00/53/349590053.db2.gz VMEGRCVMRPROSO-GFCCVEGCSA-N 2 1 242.432 2.298 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCSC(C)(C)C1 ZINC000162215743 349590058 /nfs/dbraw/zinc/59/00/58/349590058.db2.gz VMEGRCVMRPROSO-GFCCVEGCSA-N 2 1 242.432 2.298 20 0 BEADMP CC(C)CC[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000179308173 538954896 /nfs/dbraw/zinc/95/48/96/538954896.db2.gz KXLVTLPPFRZHAV-ZDUSSCGKSA-N 2 1 212.381 2.449 20 0 BEADMP CC(C)CC[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000179308173 538954898 /nfs/dbraw/zinc/95/48/98/538954898.db2.gz KXLVTLPPFRZHAV-ZDUSSCGKSA-N 2 1 212.381 2.449 20 0 BEADMP C1CC1[C@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000348109803 136234342 /nfs/dbraw/zinc/23/43/42/136234342.db2.gz ZITBKZLCCIZSGY-TUVASFSCSA-N 2 1 234.387 2.391 20 0 BEADMP CCC[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000166563957 361851619 /nfs/dbraw/zinc/85/16/19/361851619.db2.gz OLEZZIJKLHVHHJ-GFCCVEGCSA-N 2 1 200.370 2.495 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2CCC[C@@H]2C1 ZINC000162235679 349615822 /nfs/dbraw/zinc/61/58/22/349615822.db2.gz XUPHFIQYOBGQSB-HZSPNIEDSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000162235679 349615824 /nfs/dbraw/zinc/61/58/24/349615824.db2.gz XUPHFIQYOBGQSB-HZSPNIEDSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000162235679 349615826 /nfs/dbraw/zinc/61/58/26/349615826.db2.gz XUPHFIQYOBGQSB-HZSPNIEDSA-N 2 1 222.376 2.203 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000583934828 342728321 /nfs/dbraw/zinc/72/83/21/342728321.db2.gz XSOPXYLORMYQND-BPUTZDHNSA-N 2 1 244.382 2.461 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000045690491 538993007 /nfs/dbraw/zinc/99/30/07/538993007.db2.gz NKJAQYJUORWCSY-NEPJUHHUSA-N 2 1 200.370 2.351 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCCO2)CC1 ZINC000383258638 539011745 /nfs/dbraw/zinc/01/17/45/539011745.db2.gz SNLGXOWKWOAGJN-TZMCWYRMSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)CC[N@H+]1C ZINC000624200545 342847358 /nfs/dbraw/zinc/84/73/58/342847358.db2.gz OCRAOWRKTNUFLK-UXXRCYHCSA-N 2 1 236.403 2.495 20 0 BEADMP CCC[C@H](C)CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000625096966 342852243 /nfs/dbraw/zinc/85/22/43/342852243.db2.gz HSDDUOVEMFXCHE-MELADBBJSA-N 2 1 224.392 2.354 20 0 BEADMP Cc1ccccc1CCC[N@@H+](C)CCC[NH3+] ZINC000382086419 398305063 /nfs/dbraw/zinc/30/50/63/398305063.db2.gz UZGILMHWOAKWFH-UHFFFAOYSA-N 2 1 220.360 2.208 20 0 BEADMP CCCc1ccc([C@@H](C)[NH2+]CCN)cc1 ZINC000037712520 342943875 /nfs/dbraw/zinc/94/38/75/342943875.db2.gz NFJFNTOSYLZIQU-LLVKDONJSA-N 2 1 206.333 2.248 20 0 BEADMP CCCc1ccc([C@@H](C)[NH2+]CC[NH3+])cc1 ZINC000037712520 342943876 /nfs/dbraw/zinc/94/38/76/342943876.db2.gz NFJFNTOSYLZIQU-LLVKDONJSA-N 2 1 206.333 2.248 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC12CCCC2 ZINC000353274686 187207767 /nfs/dbraw/zinc/20/77/67/187207767.db2.gz JMYMXYOOHLCXFA-ZDUSSCGKSA-N 2 1 233.359 2.275 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2CCc3ccccc32)CC1 ZINC000020129671 342970687 /nfs/dbraw/zinc/97/06/87/342970687.db2.gz MPSSUQIQWQXRQX-HNNXBMFYSA-N 2 1 230.355 2.358 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C2CC(F)(F)C2)[C@H]2CCC[C@@H]21 ZINC000353589579 187208880 /nfs/dbraw/zinc/20/88/80/187208880.db2.gz QPASCCIQXJCPGO-WOPDTQHZSA-N 2 1 244.329 2.247 20 0 BEADMP CCC[C@H]([NH2+][C@H](C)C[NH3+])c1ccccc1 ZINC000233358099 259336402 /nfs/dbraw/zinc/33/64/02/259336402.db2.gz LDDSMRPHYVXLDL-YPMHNXCESA-N 2 1 206.333 2.465 20 0 BEADMP C(CC1CCCC1)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357068184 187213800 /nfs/dbraw/zinc/21/38/00/187213800.db2.gz DKWFPLQEUWACPA-LSDHHAIUSA-N 2 1 236.403 2.498 20 0 BEADMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)s1 ZINC000044534341 343009030 /nfs/dbraw/zinc/00/90/30/343009030.db2.gz HLBWHADIAQDQGD-GFCCVEGCSA-N 2 1 238.400 2.488 20 0 BEADMP CCCCOCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000362184825 187219623 /nfs/dbraw/zinc/21/96/23/187219623.db2.gz JOVWSNCNMZCIIH-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP CCCCOCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000362184825 187219625 /nfs/dbraw/zinc/21/96/25/187219625.db2.gz JOVWSNCNMZCIIH-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP CCCCOCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000362184825 187219627 /nfs/dbraw/zinc/21/96/27/187219627.db2.gz JOVWSNCNMZCIIH-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP CCCCOCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000362184825 187219629 /nfs/dbraw/zinc/21/96/29/187219629.db2.gz JOVWSNCNMZCIIH-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP CC(C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246986825 343011720 /nfs/dbraw/zinc/01/17/20/343011720.db2.gz WETHOZHNAZOARE-JSGCOSHPSA-N 2 1 222.376 2.344 20 0 BEADMP CC(C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246986825 343011721 /nfs/dbraw/zinc/01/17/21/343011721.db2.gz WETHOZHNAZOARE-JSGCOSHPSA-N 2 1 222.376 2.344 20 0 BEADMP CC(C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246986825 343011723 /nfs/dbraw/zinc/01/17/23/343011723.db2.gz WETHOZHNAZOARE-JSGCOSHPSA-N 2 1 222.376 2.344 20 0 BEADMP CC(C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246986825 343011726 /nfs/dbraw/zinc/01/17/26/343011726.db2.gz WETHOZHNAZOARE-JSGCOSHPSA-N 2 1 222.376 2.344 20 0 BEADMP Cc1ncc(C[N@H+]2CCS[C@@H](C)CC2)n1C ZINC000668061481 488196538 /nfs/dbraw/zinc/19/65/38/488196538.db2.gz JDRHKIKSQSLGAN-JTQLQIEISA-N 2 1 239.388 2.056 20 0 BEADMP CCSCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878111 349790187 /nfs/dbraw/zinc/79/01/87/349790187.db2.gz VNKRNEXWJOEGOV-UHFFFAOYSA-N 2 1 242.432 2.157 20 0 BEADMP Cc1cnc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000235926464 343067397 /nfs/dbraw/zinc/06/73/97/343067397.db2.gz ZFBWKDPVPLQTET-GHMZBOCLSA-N 2 1 239.388 2.059 20 0 BEADMP CCCC[C@@H](C[NH3+])[NH2+]C(C1CC1)C1CC1 ZINC000562956476 323035171 /nfs/dbraw/zinc/03/51/71/323035171.db2.gz XSEQNCIJWAOKEF-LBPRGKRZSA-N 2 1 210.365 2.282 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634678166 343137630 /nfs/dbraw/zinc/13/76/30/343137630.db2.gz KYAUIIUAVNPOCS-CHWSQXEVSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000124495241 343163012 /nfs/dbraw/zinc/16/30/12/343163012.db2.gz PXBUIXSKYSTARG-WBMJQRKESA-N 2 1 244.382 2.487 20 0 BEADMP C[C@H]([NH2+][C@H]1CC12CCCC2)[C@H]1CCCC[NH2+]1 ZINC000387106851 343164078 /nfs/dbraw/zinc/16/40/78/343164078.db2.gz GLJLYQPPKLWPCG-XQQFMLRXSA-N 2 1 222.376 2.439 20 0 BEADMP C[N@@H+](CC1CCCC1)CC1CC[NH2+]CC1 ZINC000082492420 136276584 /nfs/dbraw/zinc/27/65/84/136276584.db2.gz WIAGFGWIIXYUKS-UHFFFAOYSA-N 2 1 210.365 2.108 20 0 BEADMP C[N@H+](CCC[NH3+])Cc1cccc2c1OC(C)(C)C2 ZINC000133729141 343186475 /nfs/dbraw/zinc/18/64/75/343186475.db2.gz NRZLHGKUFCCSRE-UHFFFAOYSA-N 2 1 248.370 2.181 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1cccc2c1OC(C)(C)C2 ZINC000133729141 343186476 /nfs/dbraw/zinc/18/64/76/343186476.db2.gz NRZLHGKUFCCSRE-UHFFFAOYSA-N 2 1 248.370 2.181 20 0 BEADMP C[NH2+]CCC[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC000087472116 136281432 /nfs/dbraw/zinc/28/14/32/136281432.db2.gz QUGVNJWUPAVZMU-SNVBAGLBSA-N 2 1 241.404 2.362 20 0 BEADMP C[NH2+]CCC[N@@H+](C)[C@H](C)c1sc(C)nc1C ZINC000087472116 136281433 /nfs/dbraw/zinc/28/14/33/136281433.db2.gz QUGVNJWUPAVZMU-SNVBAGLBSA-N 2 1 241.404 2.362 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)CCO1 ZINC000070362063 136278430 /nfs/dbraw/zinc/27/84/30/136278430.db2.gz FKCGQLOERARJEF-STQMWFEESA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)CCO1 ZINC000070362063 136278431 /nfs/dbraw/zinc/27/84/31/136278431.db2.gz FKCGQLOERARJEF-STQMWFEESA-N 2 1 240.391 2.018 20 0 BEADMP C[N@@H+](Cc1cccc2ncccc12)C1CC([NH3+])C1 ZINC000634688549 343249011 /nfs/dbraw/zinc/24/90/11/343249011.db2.gz WCKGRDQWXZKLGE-UHFFFAOYSA-N 2 1 241.338 2.156 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000335612958 136295740 /nfs/dbraw/zinc/29/57/40/136295740.db2.gz LUXQVRQDYSSYJQ-YYJSSNLHSA-N 2 1 246.345 2.398 20 0 BEADMP CC[NH+]1CCC([NH2+]C2(CC)CCOCC2)CC1 ZINC000348815287 136298982 /nfs/dbraw/zinc/29/89/82/136298982.db2.gz FJBVAXYOHVTKEH-UHFFFAOYSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@H](C[NH2+]Cc1ccncc1)C[NH+]1CCCCC1 ZINC000037997568 343365034 /nfs/dbraw/zinc/36/50/34/343365034.db2.gz UCKYAGFZHFNZHE-CQSZACIVSA-N 2 1 247.386 2.293 20 0 BEADMP CCC1([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000335626661 136299902 /nfs/dbraw/zinc/29/99/02/136299902.db2.gz VYUCOWCTGSNKEO-RYUDHWBXSA-N 2 1 208.349 2.145 20 0 BEADMP CC(C)[C@H](C[NH2+][C@H](C)C1CC1)[NH+]1CCCC1 ZINC000020200773 187257066 /nfs/dbraw/zinc/25/70/66/187257066.db2.gz JYHOCBNIJKQDRF-OCCSQVGLSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)(C)[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000166228940 136315112 /nfs/dbraw/zinc/31/51/12/136315112.db2.gz ADAYUTWVZOMBQV-ZDUSSCGKSA-N 2 1 224.392 2.354 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H]1C ZINC000309130667 187261199 /nfs/dbraw/zinc/26/11/99/187261199.db2.gz XUKGIPBJGZGTAK-UPJWGTAASA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H]1C ZINC000309130667 187261200 /nfs/dbraw/zinc/26/12/00/187261200.db2.gz XUKGIPBJGZGTAK-UPJWGTAASA-N 2 1 212.381 2.493 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)CC1(OC)CCCC1 ZINC000349420107 136345454 /nfs/dbraw/zinc/34/54/54/136345454.db2.gz QFOZWESFISTCCN-UHFFFAOYSA-N 2 1 242.407 2.219 20 0 BEADMP C[N@H+](CCC[NH3+])Cc1ccc(Cl)s1 ZINC000042488560 343440168 /nfs/dbraw/zinc/44/01/68/343440168.db2.gz UHFSTJLLQLKJTN-UHFFFAOYSA-N 2 1 218.753 2.182 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1ccc(Cl)s1 ZINC000042488560 343440170 /nfs/dbraw/zinc/44/01/70/343440170.db2.gz UHFSTJLLQLKJTN-UHFFFAOYSA-N 2 1 218.753 2.182 20 0 BEADMP Cc1ncccc1C[N@H+](C)[C@@H]1CCN(C)C[C@H]1C ZINC000335844969 136354925 /nfs/dbraw/zinc/35/49/25/136354925.db2.gz XQGUCGKMDPFHGN-IUODEOHRSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ncccc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000335844969 136354926 /nfs/dbraw/zinc/35/49/26/136354926.db2.gz XQGUCGKMDPFHGN-IUODEOHRSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ncccc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000335844969 136354927 /nfs/dbraw/zinc/35/49/27/136354927.db2.gz XQGUCGKMDPFHGN-IUODEOHRSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ncccc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000335844969 136354928 /nfs/dbraw/zinc/35/49/28/136354928.db2.gz XQGUCGKMDPFHGN-IUODEOHRSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ncccc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000335844969 136354929 /nfs/dbraw/zinc/35/49/29/136354929.db2.gz XQGUCGKMDPFHGN-IUODEOHRSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ncccc1C[N@H+](C)[C@@H]1CCN(C)C[C@@H]1C ZINC000335844970 136355142 /nfs/dbraw/zinc/35/51/42/136355142.db2.gz XQGUCGKMDPFHGN-SWLSCSKDSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ncccc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000335844970 136355143 /nfs/dbraw/zinc/35/51/43/136355143.db2.gz XQGUCGKMDPFHGN-SWLSCSKDSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ncccc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000335844970 136355144 /nfs/dbraw/zinc/35/51/44/136355144.db2.gz XQGUCGKMDPFHGN-SWLSCSKDSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ncccc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000335844970 136355145 /nfs/dbraw/zinc/35/51/45/136355145.db2.gz XQGUCGKMDPFHGN-SWLSCSKDSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ncccc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000335844970 136355146 /nfs/dbraw/zinc/35/51/46/136355146.db2.gz XQGUCGKMDPFHGN-SWLSCSKDSA-N 2 1 247.386 2.162 20 0 BEADMP CC1=C[C@@H](C)C[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000335891856 136358890 /nfs/dbraw/zinc/35/88/90/136358890.db2.gz AYVKIMNBQWTOCX-TZMCWYRMSA-N 2 1 222.376 2.369 20 0 BEADMP CC1=C[C@@H](C)C[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000335891856 136358891 /nfs/dbraw/zinc/35/88/91/136358891.db2.gz AYVKIMNBQWTOCX-TZMCWYRMSA-N 2 1 222.376 2.369 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CCCC2)[C@H](C)C1 ZINC000166861263 136364340 /nfs/dbraw/zinc/36/43/40/136364340.db2.gz BZYHWXRVAGGKKO-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1ccsc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000258748563 136373903 /nfs/dbraw/zinc/37/39/03/136373903.db2.gz ACCZTTQNTQRXLG-VHSXEESVSA-N 2 1 210.346 2.026 20 0 BEADMP CCCCC[N@@H+](CCC[NH2+]C)C(C)C ZINC000042559239 343443465 /nfs/dbraw/zinc/44/34/65/343443465.db2.gz ZEUSLKDXSHODBW-UHFFFAOYSA-N 2 1 200.370 2.497 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccn(C)c2)[C@@H](C)C1 ZINC000271211010 136375037 /nfs/dbraw/zinc/37/50/37/136375037.db2.gz UMMAGAUKJDAYPU-ZFWWWQNUSA-N 2 1 249.402 2.187 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccn(C)c2)[C@@H](C)C1 ZINC000271211010 136375038 /nfs/dbraw/zinc/37/50/38/136375038.db2.gz UMMAGAUKJDAYPU-ZFWWWQNUSA-N 2 1 249.402 2.187 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccn(C)c2)[C@@H](C)C1 ZINC000271211010 136375039 /nfs/dbraw/zinc/37/50/39/136375039.db2.gz UMMAGAUKJDAYPU-ZFWWWQNUSA-N 2 1 249.402 2.187 20 0 BEADMP C[C@H](Cc1ccsc1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000570026338 323047612 /nfs/dbraw/zinc/04/76/12/323047612.db2.gz OYJKHEPFXTZCSW-WZRBSPASSA-N 2 1 238.400 2.267 20 0 BEADMP CSC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000602922603 349812250 /nfs/dbraw/zinc/81/22/50/349812250.db2.gz KTJGAYPEGHPHIV-GFCCVEGCSA-N 2 1 242.432 2.298 20 0 BEADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000049551804 343602087 /nfs/dbraw/zinc/60/20/87/343602087.db2.gz XBJOQDNULBSRLW-SNVBAGLBSA-N 2 1 242.313 2.395 20 0 BEADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000049553268 343602729 /nfs/dbraw/zinc/60/27/29/343602729.db2.gz FHFNWJOBFRHBGR-NEPJUHHUSA-N 2 1 236.359 2.383 20 0 BEADMP C[C@H]([NH2+][C@H]1CCC[C@H](F)C1)c1c[nH+]ccc1N ZINC000580565120 365781648 /nfs/dbraw/zinc/78/16/48/365781648.db2.gz VVTMJNOISYOQEL-DCAQKATOSA-N 2 1 237.322 2.425 20 0 BEADMP CC(C)C1(C[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000090230710 343750040 /nfs/dbraw/zinc/75/00/40/343750040.db2.gz UJILPDONHIYVIQ-UHFFFAOYSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+]CC1(C)CCC1 ZINC000336716109 537824575 /nfs/dbraw/zinc/82/45/75/537824575.db2.gz XEYMOPFCUNMIEQ-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000031994552 343886752 /nfs/dbraw/zinc/88/67/52/343886752.db2.gz ZDTXWPZXPPEOOO-OAHLLOKOSA-N 2 1 230.355 2.180 20 0 BEADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)ccn1 ZINC000621776704 343899549 /nfs/dbraw/zinc/89/95/49/343899549.db2.gz SZWUBVAASGCCRL-ZLDLUXBVSA-N 2 1 247.386 2.195 20 0 BEADMP CC(C)=CCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621784632 343907824 /nfs/dbraw/zinc/90/78/24/343907824.db2.gz RSKAIWMUROVPGF-STQMWFEESA-N 2 1 208.349 2.156 20 0 BEADMP CCOc1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000032021728 343910129 /nfs/dbraw/zinc/91/01/29/343910129.db2.gz RDSLMIKPAQNJQN-UHFFFAOYSA-N 2 1 234.343 2.008 20 0 BEADMP C(CC1CC1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000128060033 187285654 /nfs/dbraw/zinc/28/56/54/187285654.db2.gz JWXWUZWMLFWAES-STQMWFEESA-N 2 1 208.349 2.003 20 0 BEADMP CC(C)[N@@H+](C)CCNc1nc2ccccc2[nH]1 ZINC000049773261 187357865 /nfs/dbraw/zinc/35/78/65/187357865.db2.gz XIBHFTJPTJTWBE-UHFFFAOYSA-N 2 1 232.331 2.315 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000093977906 344150592 /nfs/dbraw/zinc/15/05/92/344150592.db2.gz WFDMGXKNUNUYAG-CYZMBNFOSA-N 2 1 208.349 2.001 20 0 BEADMP Cc1cnccc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000384906740 344222124 /nfs/dbraw/zinc/22/21/24/344222124.db2.gz AQVDJCBJSBWEFG-CQSZACIVSA-N 2 1 235.375 2.195 20 0 BEADMP Cc1cnccc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000384906740 344222126 /nfs/dbraw/zinc/22/21/26/344222126.db2.gz AQVDJCBJSBWEFG-CQSZACIVSA-N 2 1 235.375 2.195 20 0 BEADMP C/C=C/C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000384872783 344203468 /nfs/dbraw/zinc/20/34/68/344203468.db2.gz GNEZKFQGWJUIDO-XCUNLHGCSA-N 2 1 202.301 2.297 20 0 BEADMP CC[C@@H](C)C[NH2+]CC1([NH+](C)C)CCCC1 ZINC000132069324 344273902 /nfs/dbraw/zinc/27/39/02/344273902.db2.gz UIBPMUBANOVWJZ-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H]1C[C@@H](N)C[N@@H+]1CCCOCc1ccccc1 ZINC000385069943 344313958 /nfs/dbraw/zinc/31/39/58/344313958.db2.gz HLUONAXBUJHOGW-DZGCQCFKSA-N 2 1 248.370 2.015 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCCOCc1ccccc1 ZINC000385069943 344313961 /nfs/dbraw/zinc/31/39/61/344313961.db2.gz HLUONAXBUJHOGW-DZGCQCFKSA-N 2 1 248.370 2.015 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCCOCc1ccccc1 ZINC000385069943 344313962 /nfs/dbraw/zinc/31/39/62/344313962.db2.gz HLUONAXBUJHOGW-DZGCQCFKSA-N 2 1 248.370 2.015 20 0 BEADMP C[C@@H]1C[C@H](N)C[N@@H+]1CCCOCc1ccccc1 ZINC000385069944 344314283 /nfs/dbraw/zinc/31/42/83/344314283.db2.gz HLUONAXBUJHOGW-HIFRSBDPSA-N 2 1 248.370 2.015 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCCOCc1ccccc1 ZINC000385069944 344314286 /nfs/dbraw/zinc/31/42/86/344314286.db2.gz HLUONAXBUJHOGW-HIFRSBDPSA-N 2 1 248.370 2.015 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCCOCc1ccccc1 ZINC000385069944 344314290 /nfs/dbraw/zinc/31/42/90/344314290.db2.gz HLUONAXBUJHOGW-HIFRSBDPSA-N 2 1 248.370 2.015 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000215655184 344393839 /nfs/dbraw/zinc/39/38/39/344393839.db2.gz SEGOAWBBRHMOEU-BXUZGUMPSA-N 2 1 236.334 2.271 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000336775442 537847102 /nfs/dbraw/zinc/84/71/02/537847102.db2.gz ZARUZAPKYKPJOW-ZIAGYGMSSA-N 2 1 220.360 2.027 20 0 BEADMP CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043326375 344488799 /nfs/dbraw/zinc/48/87/99/344488799.db2.gz LNYMFBWFLGQALI-JHJVBQTASA-N 2 1 210.365 2.297 20 0 BEADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccccn2)C1 ZINC000346980132 344570512 /nfs/dbraw/zinc/57/05/12/344570512.db2.gz JDXUDPPSZDGOBO-ZIAGYGMSSA-N 2 1 247.386 2.464 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccccn2)C1 ZINC000346980132 344570516 /nfs/dbraw/zinc/57/05/16/344570516.db2.gz JDXUDPPSZDGOBO-ZIAGYGMSSA-N 2 1 247.386 2.464 20 0 BEADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccsc1 ZINC000049551917 344652907 /nfs/dbraw/zinc/65/29/07/344652907.db2.gz BOXIXYUSEIFEPV-JTQLQIEISA-N 2 1 212.362 2.178 20 0 BEADMP CCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158485064 344661703 /nfs/dbraw/zinc/66/17/03/344661703.db2.gz AHGYQMWZVZSQAH-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158485064 344661704 /nfs/dbraw/zinc/66/17/04/344661704.db2.gz AHGYQMWZVZSQAH-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158485064 344661706 /nfs/dbraw/zinc/66/17/06/344661706.db2.gz AHGYQMWZVZSQAH-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C2CCSCC2)[C@H](C)C1 ZINC000178095982 344637355 /nfs/dbraw/zinc/63/73/55/344637355.db2.gz IWSORUZLIYYQOS-YPMHNXCESA-N 2 1 242.432 2.202 20 0 BEADMP CSC[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000399993729 344748853 /nfs/dbraw/zinc/74/88/53/344748853.db2.gz IGLCTYRAPREGHQ-ZDUSSCGKSA-N 2 1 242.432 2.204 20 0 BEADMP CSC[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000399997687 344748906 /nfs/dbraw/zinc/74/89/06/344748906.db2.gz LJDNHOMCPUFNNE-STQMWFEESA-N 2 1 242.432 2.204 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CCCC(C)(F)F)CC[N@H+]1C ZINC000390110264 259380204 /nfs/dbraw/zinc/38/02/04/259380204.db2.gz WNOJMMRJKPLLIH-WDEREUQCSA-N 2 1 234.334 2.494 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCCC(C)(F)F)CC[N@H+]1C ZINC000390110262 259380410 /nfs/dbraw/zinc/38/04/10/259380410.db2.gz WNOJMMRJKPLLIH-MNOVXSKESA-N 2 1 234.334 2.494 20 0 BEADMP Cc1cc(C[NH2+]CCC[NH+]2CCC2)cs1 ZINC000583391128 344877165 /nfs/dbraw/zinc/87/71/65/344877165.db2.gz LHMGCRUDVUEIEV-UHFFFAOYSA-N 2 1 224.373 2.242 20 0 BEADMP C1[C@H]2CCC[C@@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)[C@@H]12 ZINC000306073403 187295346 /nfs/dbraw/zinc/29/53/46/187295346.db2.gz DNFJOCUWIWKGKC-QKGCVVFFSA-N 2 1 234.387 2.391 20 0 BEADMP CCC1CC([NH2+]CCCn2cc[nH+]c2C)C1 ZINC000336747999 168510992 /nfs/dbraw/zinc/51/09/92/168510992.db2.gz XQWHSBKPLXNATR-UHFFFAOYSA-N 2 1 221.348 2.360 20 0 BEADMP CC(C)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248167081 345063819 /nfs/dbraw/zinc/06/38/19/345063819.db2.gz TYFVEOHVWGMFQO-QWHCGFSZSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248167082 345064019 /nfs/dbraw/zinc/06/40/19/345064019.db2.gz TYFVEOHVWGMFQO-STQMWFEESA-N 2 1 210.365 2.059 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC2CCCC2)CC[N@H+]1C ZINC000155880528 345110163 /nfs/dbraw/zinc/11/01/63/345110163.db2.gz LRDUKCGLVODQIS-DGCLKSJQSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1CC[C@@]2(CC[N@@H+](CC34CC(C3)C[NH2+]4)C2)C1 ZINC000634993341 345189541 /nfs/dbraw/zinc/18/95/41/345189541.db2.gz RGXBIWJSOMYDSP-FEWQNLEASA-N 2 1 234.387 2.251 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1(C)CC1 ZINC000156579665 345176779 /nfs/dbraw/zinc/17/67/79/345176779.db2.gz SPKMFAIYGKRKCY-GRYCIOLGSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1(C)CC1 ZINC000156579665 345176783 /nfs/dbraw/zinc/17/67/83/345176783.db2.gz SPKMFAIYGKRKCY-GRYCIOLGSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1(C)CC1 ZINC000156579904 345176899 /nfs/dbraw/zinc/17/68/99/345176899.db2.gz SPKMFAIYGKRKCY-WOPDTQHZSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1(C)CC1 ZINC000156579904 345176901 /nfs/dbraw/zinc/17/69/01/345176901.db2.gz SPKMFAIYGKRKCY-WOPDTQHZSA-N 2 1 210.365 2.247 20 0 BEADMP Cc1cc(F)ccc1CC[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634995586 345185009 /nfs/dbraw/zinc/18/50/09/345185009.db2.gz JQJAIFCLTLEMGP-UHFFFAOYSA-N 2 1 248.345 2.018 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2coc3ccccc23)C[C@H]1C[NH3+] ZINC000634998093 345197435 /nfs/dbraw/zinc/19/74/35/345197435.db2.gz ANHCOFUNYRDIIL-VXGBXAGGSA-N 2 1 244.338 2.459 20 0 BEADMP C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@H]1C[NH3+] ZINC000634998231 345198357 /nfs/dbraw/zinc/19/83/57/345198357.db2.gz CITPPGOSINXVLR-IEOKHJKGSA-N 2 1 230.355 2.226 20 0 BEADMP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)ccc1C ZINC000634999692 345200003 /nfs/dbraw/zinc/20/00/03/345200003.db2.gz XXQRNWAPZOPSER-TZMCWYRMSA-N 2 1 248.370 2.030 20 0 BEADMP CC(C)(C)[NH2+]CC[NH2+][C@@]12C[C@@H]1CCCC2 ZINC000635001510 345201330 /nfs/dbraw/zinc/20/13/30/345201330.db2.gz VDFXRTLONKIRKL-AAEUAGOBSA-N 2 1 210.365 2.297 20 0 BEADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(C)(F)CC1 ZINC000635002118 345203847 /nfs/dbraw/zinc/20/38/47/345203847.db2.gz MGCVQUHSDDRWIN-NSHDSACASA-N 2 1 216.344 2.184 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@H]1C ZINC000380276425 345265364 /nfs/dbraw/zinc/26/53/64/345265364.db2.gz XUKGIPBJGZGTAK-AGIUHOORSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@H]1C ZINC000380276425 345265365 /nfs/dbraw/zinc/26/53/65/345265365.db2.gz XUKGIPBJGZGTAK-AGIUHOORSA-N 2 1 212.381 2.493 20 0 BEADMP CCCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081632174 345488588 /nfs/dbraw/zinc/48/85/88/345488588.db2.gz VONPVOBDSDIYSW-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CCCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081632174 345488590 /nfs/dbraw/zinc/48/85/90/345488590.db2.gz VONPVOBDSDIYSW-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CCCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081632174 345488591 /nfs/dbraw/zinc/48/85/91/345488591.db2.gz VONPVOBDSDIYSW-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CC(C)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081634503 345488873 /nfs/dbraw/zinc/48/88/73/345488873.db2.gz FWQPWETUNNWRKW-AWEZNQCLSA-N 2 1 224.392 2.306 20 0 BEADMP CC(C)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000081634503 345488877 /nfs/dbraw/zinc/48/88/77/345488877.db2.gz FWQPWETUNNWRKW-AWEZNQCLSA-N 2 1 224.392 2.306 20 0 BEADMP CC(C)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000081634503 345488880 /nfs/dbraw/zinc/48/88/80/345488880.db2.gz FWQPWETUNNWRKW-AWEZNQCLSA-N 2 1 224.392 2.306 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CC2(C)CC2)C1 ZINC000380295992 345469738 /nfs/dbraw/zinc/46/97/38/345469738.db2.gz CRWGXPQTHBWECT-LBPRGKRZSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1ccc(C)c(C[N@@H+](C)[C@@H](C[NH3+])C2CC2)c1 ZINC000159688652 345470678 /nfs/dbraw/zinc/47/06/78/345470678.db2.gz FMJMARALUSRSRF-HNNXBMFYSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1ccc(C)c(C[N@H+](C)[C@@H](C[NH3+])C2CC2)c1 ZINC000159688652 345470680 /nfs/dbraw/zinc/47/06/80/345470680.db2.gz FMJMARALUSRSRF-HNNXBMFYSA-N 2 1 232.371 2.473 20 0 BEADMP CC(C)[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CC1 ZINC000381366679 345558869 /nfs/dbraw/zinc/55/88/69/345558869.db2.gz DZPATAKZUAEDTD-CQSZACIVSA-N 2 1 222.376 2.273 20 0 BEADMP CC(C)[C@@H]([NH2+]CCC[NH+](C)C)c1cccnc1 ZINC000091262503 345590634 /nfs/dbraw/zinc/59/06/34/345590634.db2.gz QXVSEYRWMRPJRK-CQSZACIVSA-N 2 1 235.375 2.320 20 0 BEADMP Fc1cccc(C2([NH2+]C3CC[NH2+]CC3)CC2)c1 ZINC000215642107 345742835 /nfs/dbraw/zinc/74/28/35/345742835.db2.gz RMCXKRJYMLJOIG-UHFFFAOYSA-N 2 1 234.318 2.156 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000231440420 345752707 /nfs/dbraw/zinc/75/27/07/345752707.db2.gz XMMRKWIARHBJQY-AAEUAGOBSA-N 2 1 206.333 2.383 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CC23CCCC3)CC1 ZINC000335917592 345850806 /nfs/dbraw/zinc/85/08/06/345850806.db2.gz JCCWHFKSZUBMLH-ZDUSSCGKSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@@H]1C[C@@H](NCc2cnc(C3CC3)o2)CC[N@H+]1C ZINC000628223412 345964305 /nfs/dbraw/zinc/96/43/05/345964305.db2.gz CYPPSQQJZIHXGW-PWSUYJOCSA-N 2 1 249.358 2.124 20 0 BEADMP CC[C@H](C)C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000051918987 346207396 /nfs/dbraw/zinc/20/73/96/346207396.db2.gz IPCIKTZFFFEEJE-STQMWFEESA-N 2 1 212.381 2.354 20 0 BEADMP CCCCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366481850 537954669 /nfs/dbraw/zinc/95/46/69/537954669.db2.gz LWBIVBLZERWHBI-ZDUSSCGKSA-N 2 1 210.365 2.204 20 0 BEADMP CCCCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366481850 537954674 /nfs/dbraw/zinc/95/46/74/537954674.db2.gz LWBIVBLZERWHBI-ZDUSSCGKSA-N 2 1 210.365 2.204 20 0 BEADMP CCCCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366481850 537954680 /nfs/dbraw/zinc/95/46/80/537954680.db2.gz LWBIVBLZERWHBI-ZDUSSCGKSA-N 2 1 210.365 2.204 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000226422252 179034954 /nfs/dbraw/zinc/03/49/54/179034954.db2.gz CHZDBOHGPLXYHG-ZFWWWQNUSA-N 2 1 232.371 2.473 20 0 BEADMP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000574904670 346407549 /nfs/dbraw/zinc/40/75/49/346407549.db2.gz YZOKKYGILTUXFR-DGCLKSJQSA-N 2 1 238.400 2.411 20 0 BEADMP C[C@@H](C1CC1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000574924461 346414134 /nfs/dbraw/zinc/41/41/34/346414134.db2.gz OEPKBTNKQKBFOX-NSHDSACASA-N 2 1 221.348 2.083 20 0 BEADMP C[C@@H](C1CC1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000574924461 346414136 /nfs/dbraw/zinc/41/41/36/346414136.db2.gz OEPKBTNKQKBFOX-NSHDSACASA-N 2 1 221.348 2.083 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000107935072 179080479 /nfs/dbraw/zinc/08/04/79/179080479.db2.gz BPSLYPCHBVNWEJ-TZMCWYRMSA-N 2 1 218.344 2.164 20 0 BEADMP Cc1[nH+]ccn1[C@H]1CCCN(CC(F)F)C1 ZINC000603413085 349961332 /nfs/dbraw/zinc/96/13/32/349961332.db2.gz VKDJXGDPVXNIFD-JTQLQIEISA-N 2 1 229.274 2.094 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1C ZINC000126889038 179082683 /nfs/dbraw/zinc/08/26/83/179082683.db2.gz ZFEKOWXRNGNBGA-HIFRSBDPSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc(C)c1F ZINC000294958238 179091790 /nfs/dbraw/zinc/09/17/90/179091790.db2.gz FTDRRNNWLGSPKA-UHFFFAOYSA-N 2 1 247.317 2.429 20 0 BEADMP CC(C)[N@@H+](CC1CCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000261729286 535047914 /nfs/dbraw/zinc/04/79/14/535047914.db2.gz GZEBEOGEZAKHKO-AWEZNQCLSA-N 2 1 224.392 2.497 20 0 BEADMP CCC(F)(F)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000641800160 362749793 /nfs/dbraw/zinc/74/97/93/362749793.db2.gz XIMGPHYLJVYNQP-JTQLQIEISA-N 2 1 220.307 2.093 20 0 BEADMP CCC(F)(F)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000641800160 362749797 /nfs/dbraw/zinc/74/97/97/362749797.db2.gz XIMGPHYLJVYNQP-JTQLQIEISA-N 2 1 220.307 2.093 20 0 BEADMP C[C@@H]1CC[C@H](CN)[N@@H+](C[C@H]2CCCCO2)[C@H]1C ZINC000641806337 362763900 /nfs/dbraw/zinc/76/39/00/362763900.db2.gz QOZWLPCQGAMIGS-XJFOESAGSA-N 2 1 240.391 2.003 20 0 BEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@H]2CCCCO2)[C@H]1C ZINC000641806337 362763907 /nfs/dbraw/zinc/76/39/07/362763907.db2.gz QOZWLPCQGAMIGS-XJFOESAGSA-N 2 1 240.391 2.003 20 0 BEADMP Cc1cccc(N2CCC[C@H]([NH+](C)C)CC2)[nH+]1 ZINC000276988184 179121841 /nfs/dbraw/zinc/12/18/41/179121841.db2.gz GJRFXMACLZLRKO-ZDUSSCGKSA-N 2 1 233.359 2.311 20 0 BEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C[C@@H](C)COC ZINC000187887611 346645006 /nfs/dbraw/zinc/64/50/06/346645006.db2.gz BPKVKGGZITZDFJ-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C[C@@H](C)COC ZINC000187887611 346645007 /nfs/dbraw/zinc/64/50/07/346645007.db2.gz BPKVKGGZITZDFJ-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP Cc1cccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)[nH+]1 ZINC000128144912 179155359 /nfs/dbraw/zinc/15/53/59/179155359.db2.gz LOMOMDCGIPBRMI-VXGBXAGGSA-N 2 1 219.332 2.285 20 0 BEADMP Cc1cccc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)[nH+]1 ZINC000128144912 179155360 /nfs/dbraw/zinc/15/53/60/179155360.db2.gz LOMOMDCGIPBRMI-VXGBXAGGSA-N 2 1 219.332 2.285 20 0 BEADMP CCC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622004474 370654042 /nfs/dbraw/zinc/65/40/42/370654042.db2.gz PGYLMEFOGKNULV-AVGNSLFASA-N 2 1 210.365 2.236 20 0 BEADMP CC(C)(C)CC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622003474 370654251 /nfs/dbraw/zinc/65/42/51/370654251.db2.gz AGMNJRNFQMNLGX-YPMHNXCESA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000387970945 347138060 /nfs/dbraw/zinc/13/80/60/347138060.db2.gz GBNXKDXUPSABQK-XGFWRYKXSA-N 2 1 224.392 2.351 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)s1 ZINC000622005669 370657028 /nfs/dbraw/zinc/65/70/28/370657028.db2.gz JIPWFJWHIGUQTG-YPMHNXCESA-N 2 1 236.384 2.370 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)s1 ZINC000622005669 370657032 /nfs/dbraw/zinc/65/70/32/370657032.db2.gz JIPWFJWHIGUQTG-YPMHNXCESA-N 2 1 236.384 2.370 20 0 BEADMP Cc1cccc([C@@H](C)[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000313352782 179179654 /nfs/dbraw/zinc/17/96/54/179179654.db2.gz LTDOBSNNVSFANF-UKRRQHHQSA-N 2 1 248.370 2.106 20 0 BEADMP COc1ccc(C[NH2+]CC(C)(C)[NH3+])cc1Cl ZINC000258788819 323146532 /nfs/dbraw/zinc/14/65/32/323146532.db2.gz JBTZJPVRHZXUSZ-UHFFFAOYSA-N 2 1 242.750 2.176 20 0 BEADMP CCc1nc(N[C@H]2CC[N@H+](C)[C@H](C)C2)cc(C)[nH+]1 ZINC000302563122 347586369 /nfs/dbraw/zinc/58/63/69/347586369.db2.gz YWBVLAOBSBVXDT-NEPJUHHUSA-N 2 1 248.374 2.242 20 0 BEADMP CCc1nc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc(C)[nH+]1 ZINC000302563122 347586371 /nfs/dbraw/zinc/58/63/71/347586371.db2.gz YWBVLAOBSBVXDT-NEPJUHHUSA-N 2 1 248.374 2.242 20 0 BEADMP Cc1ccccc1CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000358290462 179267594 /nfs/dbraw/zinc/26/75/94/179267594.db2.gz RLJLOZDBQALZOY-ZBFHGGJFSA-N 2 1 246.398 2.467 20 0 BEADMP Cc1nc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cs1 ZINC000082474640 347614960 /nfs/dbraw/zinc/61/49/60/347614960.db2.gz LVGQCVDUFUPVKS-SECBINFHSA-N 2 1 239.388 2.011 20 0 BEADMP Cc1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335271337 179276621 /nfs/dbraw/zinc/27/66/21/179276621.db2.gz SOBJLAUGNWXNJB-GASCZTMLSA-N 2 1 244.382 2.426 20 0 BEADMP CCS[C@@H]1CCCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000592477064 347791362 /nfs/dbraw/zinc/79/13/62/347791362.db2.gz QYLYNUMHGZSOEE-CHWSQXEVSA-N 2 1 242.432 2.204 20 0 BEADMP Cc1cc(C[NH2+]CCC[NH+](C)C)c(C)s1 ZINC000049684998 323163756 /nfs/dbraw/zinc/16/37/56/323163756.db2.gz OWXBKGCUYBXGEV-UHFFFAOYSA-N 2 1 226.389 2.406 20 0 BEADMP CCSCC[NH2+]CCC[N@@H+](C)CC(C)C ZINC000593645467 347926328 /nfs/dbraw/zinc/92/63/28/347926328.db2.gz JDONKXIGMTYHQC-UHFFFAOYSA-N 2 1 232.437 2.307 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000577482029 365954462 /nfs/dbraw/zinc/95/44/62/365954462.db2.gz QYLFJAZPGMANPI-IUCAKERBSA-N 2 1 228.286 2.450 20 0 BEADMP Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@H](C)[NH3+] ZINC000336405941 179347437 /nfs/dbraw/zinc/34/74/37/179347437.db2.gz DSLRHJMTZVLHKH-GXTWGEPZSA-N 2 1 218.344 2.479 20 0 BEADMP C[C@@H](CSCCF)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000595015916 348186138 /nfs/dbraw/zinc/18/61/38/348186138.db2.gz FEDNYMWKBFDATF-RYUDHWBXSA-N 2 1 248.411 2.009 20 0 BEADMP Cc1cccnc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000296382288 179371209 /nfs/dbraw/zinc/37/12/09/179371209.db2.gz JQWKJMLGFQLPJP-UONOGXRCSA-N 2 1 247.386 2.005 20 0 BEADMP Cc1cccnc1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000296382287 179371406 /nfs/dbraw/zinc/37/14/06/179371406.db2.gz JQWKJMLGFQLPJP-KGLIPLIRSA-N 2 1 247.386 2.005 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+]CCSCc1ccccc1 ZINC000596103217 348440206 /nfs/dbraw/zinc/44/02/06/348440206.db2.gz CYLFKLDJZCBMMB-LBPRGKRZSA-N 2 1 238.400 2.117 20 0 BEADMP CC(C)[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000251329704 490214764 /nfs/dbraw/zinc/21/47/64/490214764.db2.gz NYNXRHISTOGBHF-STQMWFEESA-N 2 1 210.365 2.106 20 0 BEADMP COc1ccc(C)cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000251152541 349183131 /nfs/dbraw/zinc/18/31/31/349183131.db2.gz IYMXFLWAFJIWBC-TZMCWYRMSA-N 2 1 248.370 2.315 20 0 BEADMP COc1ccc(C)cc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000251152541 349183135 /nfs/dbraw/zinc/18/31/35/349183135.db2.gz IYMXFLWAFJIWBC-TZMCWYRMSA-N 2 1 248.370 2.315 20 0 BEADMP CCc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)s1 ZINC000250453236 349171179 /nfs/dbraw/zinc/17/11/79/349171179.db2.gz ZVZJRIJMNSQSRI-GHMZBOCLSA-N 2 1 238.400 2.480 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CC2(F)F)CC1 ZINC000666226742 490284016 /nfs/dbraw/zinc/28/40/16/490284016.db2.gz DWNXSRVMTSJRAE-MWLCHTKSSA-N 2 1 232.318 2.104 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)CC1(C)C ZINC000623530051 362949605 /nfs/dbraw/zinc/94/96/05/362949605.db2.gz LAUNDINRMYTWDS-LLVKDONJSA-N 2 1 246.345 2.494 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+]CC2(C)CCC2)C1 ZINC000336771595 538057969 /nfs/dbraw/zinc/05/79/69/538057969.db2.gz USIYZGYEJVTXJZ-CYBMUJFWSA-N 2 1 224.392 2.498 20 0 BEADMP Cc1ncc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000069626958 180142694 /nfs/dbraw/zinc/14/26/94/180142694.db2.gz VDEYMECBMHROLS-KOLCDFICSA-N 2 1 239.388 2.011 20 0 BEADMP Cc1ncc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000069626958 180142696 /nfs/dbraw/zinc/14/26/96/180142696.db2.gz VDEYMECBMHROLS-KOLCDFICSA-N 2 1 239.388 2.011 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C(C)C)C1 ZINC000151105522 191060048 /nfs/dbraw/zinc/06/00/48/191060048.db2.gz NMLVNUJEHIOCNI-STQMWFEESA-N 2 1 212.381 2.352 20 0 BEADMP Cc1nccc(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC000266190667 180200032 /nfs/dbraw/zinc/20/00/32/180200032.db2.gz BTMHVRGPQNQWKH-NEPJUHHUSA-N 2 1 248.374 2.317 20 0 BEADMP Cc1ncccc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000310416391 180218455 /nfs/dbraw/zinc/21/84/55/180218455.db2.gz JYJOTNYCFDJZFW-AWEZNQCLSA-N 2 1 235.375 2.195 20 0 BEADMP Cc1ncccc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000310416391 180218457 /nfs/dbraw/zinc/21/84/57/180218457.db2.gz JYJOTNYCFDJZFW-AWEZNQCLSA-N 2 1 235.375 2.195 20 0 BEADMP Cc1ncccc1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000128062224 180227861 /nfs/dbraw/zinc/22/78/61/180227861.db2.gz GHJCZCWODRTUHJ-PWSUYJOCSA-N 2 1 219.332 2.285 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC1CC1 ZINC000336708600 180236638 /nfs/dbraw/zinc/23/66/38/180236638.db2.gz VMVPGIPXYHWTDY-UHFFFAOYSA-N 2 1 221.348 2.314 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC1CC1 ZINC000336708600 180236641 /nfs/dbraw/zinc/23/66/41/180236641.db2.gz VMVPGIPXYHWTDY-UHFFFAOYSA-N 2 1 221.348 2.314 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH2+]CC(C)C ZINC000052576052 180236683 /nfs/dbraw/zinc/23/66/83/180236683.db2.gz AETWJKQFGUQDAT-UHFFFAOYSA-N 2 1 209.337 2.217 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccn(C)c1 ZINC000125929669 180236728 /nfs/dbraw/zinc/23/67/28/180236728.db2.gz TYPKGMYQALJQQW-UHFFFAOYSA-N 2 1 246.358 2.100 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCS[C@H](C)C1 ZINC000270616605 180238497 /nfs/dbraw/zinc/23/84/97/180238497.db2.gz JHVLGVWQNLEWFU-LLVKDONJSA-N 2 1 239.388 2.019 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CCS[C@H](C)C1 ZINC000270616605 180238499 /nfs/dbraw/zinc/23/84/99/180238499.db2.gz JHVLGVWQNLEWFU-LLVKDONJSA-N 2 1 239.388 2.019 20 0 BEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccn(C)c2)C1 ZINC000125013983 191080172 /nfs/dbraw/zinc/08/01/72/191080172.db2.gz VNBPPOWUMQAXHP-CQSZACIVSA-N 2 1 249.402 2.235 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000336734058 180246425 /nfs/dbraw/zinc/24/64/25/180246425.db2.gz HAOANBPSJIRTKM-DMDPSCGWSA-N 2 1 221.348 2.216 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@@H]1C ZINC000336782655 180247337 /nfs/dbraw/zinc/24/73/37/180247337.db2.gz YJPPBVXIRTUURZ-AAEUAGOBSA-N 2 1 221.348 2.360 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@H]1C ZINC000336782658 180247389 /nfs/dbraw/zinc/24/73/89/180247389.db2.gz YJPPBVXIRTUURZ-YPMHNXCESA-N 2 1 221.348 2.360 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCSC1 ZINC000309697726 180248421 /nfs/dbraw/zinc/24/84/21/180248421.db2.gz LORSJERRSVLOAX-LBPRGKRZSA-N 2 1 239.388 2.067 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000271070206 180248996 /nfs/dbraw/zinc/24/89/96/180248996.db2.gz JSEHEBXBXAOKCL-LBPRGKRZSA-N 2 1 244.342 2.280 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)c1ccccn1 ZINC000271070206 180248998 /nfs/dbraw/zinc/24/89/98/180248998.db2.gz JSEHEBXBXAOKCL-LBPRGKRZSA-N 2 1 244.342 2.280 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccncc1 ZINC000271054696 180244180 /nfs/dbraw/zinc/24/41/80/180244180.db2.gz CIENHOCBZKGLSS-LBPRGKRZSA-N 2 1 244.342 2.327 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H]1CC=CCC1 ZINC000045629466 180260430 /nfs/dbraw/zinc/26/04/30/180260430.db2.gz FPFSBBCKSJDAIC-CYBMUJFWSA-N 2 1 219.332 2.137 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000049330057 180261768 /nfs/dbraw/zinc/26/17/68/180261768.db2.gz JBJZZWPAJRMDMI-YPMHNXCESA-N 2 1 221.348 2.360 20 0 BEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccnc1 ZINC000105443310 180264411 /nfs/dbraw/zinc/26/44/11/180264411.db2.gz CAKRQMOAXKFJNJ-LBPRGKRZSA-N 2 1 244.342 2.012 20 0 BEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H]1CCC=CO1 ZINC000194194146 180265498 /nfs/dbraw/zinc/26/54/98/180265498.db2.gz WAXIOVXVKVHZAQ-GXTWGEPZSA-N 2 1 249.358 2.110 20 0 BEADMP CCC[C@@H](CC)[NH2+]CCc1c[nH+]cn1C ZINC000309140660 323319763 /nfs/dbraw/zinc/31/97/63/323319763.db2.gz GZZBKVCRADEBTI-LLVKDONJSA-N 2 1 209.337 2.131 20 0 BEADMP C[C@H](CC1CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000069663204 350376459 /nfs/dbraw/zinc/37/64/59/350376459.db2.gz VFAFQMCGAVQHBJ-NDNKKMJESA-N 2 1 222.376 2.390 20 0 BEADMP Cc1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)nc(C)[nH+]1 ZINC000040623726 350390987 /nfs/dbraw/zinc/39/09/87/350390987.db2.gz YTBGRXJUJQUEBH-ZDUSSCGKSA-N 2 1 248.374 2.236 20 0 BEADMP Cc1cc(NC[C@@H]2CC[N@H+](C(C)C)C2)nc(C)[nH+]1 ZINC000040623726 350390991 /nfs/dbraw/zinc/39/09/91/350390991.db2.gz YTBGRXJUJQUEBH-ZDUSSCGKSA-N 2 1 248.374 2.236 20 0 BEADMP CC[NH+]1CCC([N@H+](C)CCC2CC2)CC1 ZINC000336698392 350452698 /nfs/dbraw/zinc/45/26/98/350452698.db2.gz QRVBKTMUOQVTBS-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)CCC2CC2)CC1 ZINC000336698392 350452700 /nfs/dbraw/zinc/45/27/00/350452700.db2.gz QRVBKTMUOQVTBS-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000336698431 350452763 /nfs/dbraw/zinc/45/27/63/350452763.db2.gz IWOWFHRIOHQUON-CYBMUJFWSA-N 2 1 221.348 2.456 20 0 BEADMP CC[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000336698431 350452764 /nfs/dbraw/zinc/45/27/64/350452764.db2.gz IWOWFHRIOHQUON-CYBMUJFWSA-N 2 1 221.348 2.456 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623538881 362958586 /nfs/dbraw/zinc/95/85/86/362958586.db2.gz YJKFTNWRIBNSHD-AGIUHOORSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@](C)(C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)OC ZINC000623538713 362958779 /nfs/dbraw/zinc/95/87/79/362958779.db2.gz RIBKIFNNWZBMRI-OCCSQVGLSA-N 2 1 242.407 2.264 20 0 BEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC000054628034 1172130010 /nfs/dbraw/zinc/13/00/10/1172130010.db2.gz DAJURWIMSNZEPR-AGUYFDCRSA-N 2 1 222.376 2.391 20 0 BEADMP CC[N@H+]1CCC[C@@H]1CNc1cc[nH+]c(C)c1 ZINC000229560668 350579834 /nfs/dbraw/zinc/57/98/34/350579834.db2.gz LVQWOMDEGLFNRV-CYBMUJFWSA-N 2 1 219.332 2.286 20 0 BEADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623546796 362968519 /nfs/dbraw/zinc/96/85/19/362968519.db2.gz SKCAYAIUBGUULX-UPJWGTAASA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]1C[C@@H](C[N@@H+](C)C2CC(C)(C)C2)CC[NH2+]1 ZINC000334623374 350738181 /nfs/dbraw/zinc/73/81/81/350738181.db2.gz UHPKNIHBNHWLAC-NEPJUHHUSA-N 2 1 224.392 2.495 20 0 BEADMP CC1(C)CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336683717 350919798 /nfs/dbraw/zinc/91/97/98/350919798.db2.gz ZIJBGEABSBEWRO-AVGNSLFASA-N 2 1 222.376 2.391 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000336711665 191126426 /nfs/dbraw/zinc/12/64/26/191126426.db2.gz UNVDTPIAWDIJFD-FRRDWIJNSA-N 2 1 212.381 2.351 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCC2(C)C)C1 ZINC000086856770 351037891 /nfs/dbraw/zinc/03/78/91/351037891.db2.gz QNAAKZYHTIAQJO-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CO[C@H](C)[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000252710338 538099874 /nfs/dbraw/zinc/09/98/74/538099874.db2.gz GIZQIIJFNMEMBH-DUJLVANISA-N 2 1 240.391 2.015 20 0 BEADMP CO[C@H](C)[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000252710338 538099877 /nfs/dbraw/zinc/09/98/77/538099877.db2.gz GIZQIIJFNMEMBH-DUJLVANISA-N 2 1 240.391 2.015 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC1 ZINC000252715906 538100666 /nfs/dbraw/zinc/10/06/66/538100666.db2.gz XAYYSTZSAJEYPP-YUTCNCBUSA-N 2 1 222.376 2.391 20 0 BEADMP CCN1CCC([N@@H+](C)C[C@@](C)(CC)OC)CC1 ZINC000637886898 351756694 /nfs/dbraw/zinc/75/66/94/351756694.db2.gz MGWZPFMPDAIEJJ-CQSZACIVSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+]1CCC([N@H+](C)C[C@@](C)(CC)OC)CC1 ZINC000637886898 351756699 /nfs/dbraw/zinc/75/66/99/351756699.db2.gz MGWZPFMPDAIEJJ-CQSZACIVSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)C[C@@](C)(CC)OC)CC1 ZINC000637886898 351756704 /nfs/dbraw/zinc/75/67/04/351756704.db2.gz MGWZPFMPDAIEJJ-CQSZACIVSA-N 2 1 242.407 2.218 20 0 BEADMP CCC[C@@H](C[N@@H+](C)CC1CC[NH+](C)CC1)OC ZINC000638028268 351907488 /nfs/dbraw/zinc/90/74/88/351907488.db2.gz DPOSXMAZAKSWBV-AWEZNQCLSA-N 2 1 242.407 2.075 20 0 BEADMP CCc1nc(NC2CC[NH+](CC)CC2)cc(C)[nH+]1 ZINC000286128917 352078101 /nfs/dbraw/zinc/07/81/01/352078101.db2.gz MUODDBRKKWJWPU-UHFFFAOYSA-N 2 1 248.374 2.244 20 0 BEADMP C(C[NH2+]CC[NH+]1CCCCCC1)C[C@@H]1CCO1 ZINC000638335748 352154320 /nfs/dbraw/zinc/15/43/20/352154320.db2.gz NGOODPGXTCRCJC-CQSZACIVSA-N 2 1 240.391 2.021 20 0 BEADMP CC[C@@H](C)[C@H](C[NH2+]CCC[N@@H+](C)C(C)C)OC ZINC000638337033 352155382 /nfs/dbraw/zinc/15/53/82/352155382.db2.gz BOUGLVCJNMSXDN-KGLIPLIRSA-N 2 1 244.423 2.367 20 0 BEADMP C[C@@]1(C[NH2+]Cc2ccccc2F)CCC[NH2+]C1 ZINC000414900222 352176130 /nfs/dbraw/zinc/17/61/30/352176130.db2.gz IADOTAZGNGWWOD-CQSZACIVSA-N 2 1 236.334 2.305 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000638384404 352195145 /nfs/dbraw/zinc/19/51/45/352195145.db2.gz ACZWNWWXSBQDPG-MWLCHTKSSA-N 2 1 243.301 2.215 20 0 BEADMP CCC[C@@H](C[NH2+]C[C@H]1CC[N@@H+](CCC)C1)OC ZINC000638410036 352217587 /nfs/dbraw/zinc/21/75/87/352217587.db2.gz TYLJAJMWWOJSKD-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638452124 352262297 /nfs/dbraw/zinc/26/22/97/352262297.db2.gz VEEOBYDUOOGSTM-APIJFGDWSA-N 2 1 236.403 2.354 20 0 BEADMP C[C@H]1C[N@@H+](Cc2cccc3c2CCC3)C[C@H]1C[NH3+] ZINC000630074881 363158601 /nfs/dbraw/zinc/15/86/01/363158601.db2.gz BWSIEDPMSRPRGH-SWLSCSKDSA-N 2 1 244.382 2.202 20 0 BEADMP COc1ccccc1CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000044535115 352351390 /nfs/dbraw/zinc/35/13/90/352351390.db2.gz KVKAIHKTXRXMPF-ZDUSSCGKSA-N 2 1 248.370 2.127 20 0 BEADMP COc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044535115 352351393 /nfs/dbraw/zinc/35/13/93/352351393.db2.gz KVKAIHKTXRXMPF-ZDUSSCGKSA-N 2 1 248.370 2.127 20 0 BEADMP Cc1ccc(CNC[C@H]2CCC[N@H+](C)C2)o1 ZINC000044535253 352351631 /nfs/dbraw/zinc/35/16/31/352351631.db2.gz RJOQMJCTPDCGOP-GFCCVEGCSA-N 2 1 222.332 2.019 20 0 BEADMP CC[C@@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1CC1 ZINC000336739880 352368035 /nfs/dbraw/zinc/36/80/35/352368035.db2.gz SXGRXHHJMMJVJI-WCQYABFASA-N 2 1 212.381 2.493 20 0 BEADMP CC[C@@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1CC1 ZINC000336739880 352368038 /nfs/dbraw/zinc/36/80/38/352368038.db2.gz SXGRXHHJMMJVJI-WCQYABFASA-N 2 1 212.381 2.493 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000414947156 352370704 /nfs/dbraw/zinc/37/07/04/352370704.db2.gz URZRHEBMPYVICX-VTPLQMEGSA-N 2 1 218.344 2.115 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000414947154 352370790 /nfs/dbraw/zinc/37/07/90/352370790.db2.gz URZRHEBMPYVICX-CDGCEXEKSA-N 2 1 218.344 2.115 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000414947153 352370845 /nfs/dbraw/zinc/37/08/45/352370845.db2.gz URZRHEBMPYVICX-AUZPSNTRSA-N 2 1 218.344 2.115 20 0 BEADMP CCOC1CC(C[NH2+][C@H](C)C[NH+](CC)CC)C1 ZINC000638559873 352385773 /nfs/dbraw/zinc/38/57/73/352385773.db2.gz IVGKUIXVZMSADK-IYXRBSQSSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000300415355 352563351 /nfs/dbraw/zinc/56/33/51/352563351.db2.gz ULDIXMVQUGOABV-BTTYYORXSA-N 2 1 242.407 2.264 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000300415355 352563353 /nfs/dbraw/zinc/56/33/53/352563353.db2.gz ULDIXMVQUGOABV-BTTYYORXSA-N 2 1 242.407 2.264 20 0 BEADMP CCOc1ccccc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527770 352654382 /nfs/dbraw/zinc/65/43/82/352654382.db2.gz LWXGUYOELPWASK-CYBMUJFWSA-N 2 1 248.370 2.256 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)s1 ZINC000044527730 352654927 /nfs/dbraw/zinc/65/49/27/352654927.db2.gz XLGIBSYEMBNIGU-LLVKDONJSA-N 2 1 224.373 2.227 20 0 BEADMP C[C@H](F)CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334219518 352821261 /nfs/dbraw/zinc/82/12/61/352821261.db2.gz FUJHWHWWFBNTFR-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP C[C@H](F)CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334219518 352821263 /nfs/dbraw/zinc/82/12/63/352821263.db2.gz FUJHWHWWFBNTFR-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP C[C@H](F)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000334219518 352821267 /nfs/dbraw/zinc/82/12/67/352821267.db2.gz FUJHWHWWFBNTFR-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccncc1Cl ZINC000334237186 352855306 /nfs/dbraw/zinc/85/53/06/352855306.db2.gz LVCFBGYLRHATNQ-NXEZZACHSA-N 2 1 239.750 2.264 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccncc1Cl ZINC000334237186 352855310 /nfs/dbraw/zinc/85/53/10/352855310.db2.gz LVCFBGYLRHATNQ-NXEZZACHSA-N 2 1 239.750 2.264 20 0 BEADMP C[N@@H+](CC1CCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000334260892 352893227 /nfs/dbraw/zinc/89/32/27/352893227.db2.gz SHTTZGFMMLUXDU-PBWFPOADSA-N 2 1 222.376 2.344 20 0 BEADMP C[NH+](CC1CCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000334260892 352893230 /nfs/dbraw/zinc/89/32/30/352893230.db2.gz SHTTZGFMMLUXDU-PBWFPOADSA-N 2 1 222.376 2.344 20 0 BEADMP C[NH+](CC1CCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000334260892 352893232 /nfs/dbraw/zinc/89/32/32/352893232.db2.gz SHTTZGFMMLUXDU-PBWFPOADSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@@H]1C[N@H+](C)C[C@@H]1NCc1cc(F)cc(F)c1 ZINC000334267984 352904045 /nfs/dbraw/zinc/90/40/45/352904045.db2.gz OFEGHOZTAWSKLH-RNCFNFMXSA-N 2 1 240.297 2.005 20 0 BEADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCc1cc(F)cc(F)c1 ZINC000334267984 352904047 /nfs/dbraw/zinc/90/40/47/352904047.db2.gz OFEGHOZTAWSKLH-RNCFNFMXSA-N 2 1 240.297 2.005 20 0 BEADMP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000300997579 188002476 /nfs/dbraw/zinc/00/24/76/188002476.db2.gz WPDGOAMPRDNSPK-MCIONIFRSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000300997579 188002477 /nfs/dbraw/zinc/00/24/77/188002477.db2.gz WPDGOAMPRDNSPK-MCIONIFRSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)C1CC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000232539176 353114512 /nfs/dbraw/zinc/11/45/12/353114512.db2.gz ULXBDYQRRGDCIX-RJZJGCCBSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)C1CC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000232539176 353114515 /nfs/dbraw/zinc/11/45/15/353114515.db2.gz ULXBDYQRRGDCIX-RJZJGCCBSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336650894 188011373 /nfs/dbraw/zinc/01/13/73/188011373.db2.gz UFIONESPTZCDTM-CYBMUJFWSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000336650894 188011375 /nfs/dbraw/zinc/01/13/75/188011375.db2.gz UFIONESPTZCDTM-CYBMUJFWSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000336650894 188011377 /nfs/dbraw/zinc/01/13/77/188011377.db2.gz UFIONESPTZCDTM-CYBMUJFWSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CC(C)(C)C1 ZINC000336765393 188004858 /nfs/dbraw/zinc/00/48/58/188004858.db2.gz RARXCQSTJQQXRQ-NSHDSACASA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CC(C)(C)C1 ZINC000336765393 188004859 /nfs/dbraw/zinc/00/48/59/188004859.db2.gz RARXCQSTJQQXRQ-NSHDSACASA-N 2 1 212.381 2.493 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C2CCC2)C1 ZINC000336768280 353279236 /nfs/dbraw/zinc/27/92/36/353279236.db2.gz QSIOFSOHALNVRB-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)C[C@H]1CCCCC[N@H+]1CCOCC[NH3+] ZINC000357094040 188239487 /nfs/dbraw/zinc/23/94/87/188239487.db2.gz XVQUGLSXBVHAAC-CQSZACIVSA-N 2 1 242.407 2.252 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)C1 ZINC000251718415 353287813 /nfs/dbraw/zinc/28/78/13/353287813.db2.gz ILBOPLDSZVRMND-YIYPIFLZSA-N 2 1 224.392 2.482 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000084517998 538114446 /nfs/dbraw/zinc/11/44/46/538114446.db2.gz DKAIZHSQHYUKNW-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000227665935 188253869 /nfs/dbraw/zinc/25/38/69/188253869.db2.gz CXZRGFALEOHGSN-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000227665935 188253871 /nfs/dbraw/zinc/25/38/71/188253871.db2.gz CXZRGFALEOHGSN-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000251834495 353292951 /nfs/dbraw/zinc/29/29/51/353292951.db2.gz QFISPLDUTYATLE-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP C(C[N@H+]1[C@H]2CC[C@@H]1CCC2)C1CC[NH2+]CC1 ZINC000336538764 188256698 /nfs/dbraw/zinc/25/66/98/188256698.db2.gz QYDIDIKAFDGSCD-OKILXGFUSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1C[C@H]1CCC[C@@H](C)C1 ZINC000251970280 353294363 /nfs/dbraw/zinc/29/43/63/353294363.db2.gz YCWOXAIQSXHGFV-ZOBORPQBSA-N 2 1 224.392 2.482 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cc1ccsc1 ZINC000049330442 188298561 /nfs/dbraw/zinc/29/85/61/188298561.db2.gz IYCXECNJYFUETO-LLVKDONJSA-N 2 1 249.383 2.474 20 0 BEADMP CC(C)[C@H](C)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000053377041 188340425 /nfs/dbraw/zinc/34/04/25/188340425.db2.gz HFISOKPUWWRNOW-LBPRGKRZSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)[C@H](C)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000053377041 188340426 /nfs/dbraw/zinc/34/04/26/188340426.db2.gz HFISOKPUWWRNOW-LBPRGKRZSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)Cc1ccc([C@@H](C)[NH2+]CC[NH3+])cc1 ZINC000037712465 188325915 /nfs/dbraw/zinc/32/59/15/188325915.db2.gz IXMKMZBESGGBFP-GFCCVEGCSA-N 2 1 220.360 2.494 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1C ZINC000336678955 188340823 /nfs/dbraw/zinc/34/08/23/188340823.db2.gz QRNIFRRBNOFACW-JTNHKYCSSA-N 2 1 222.376 2.247 20 0 BEADMP CC(C)C[C@H](C)[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000336682871 188341727 /nfs/dbraw/zinc/34/17/27/188341727.db2.gz SCRKBPJULJUBNY-QWRGUYRKSA-N 2 1 221.348 2.291 20 0 BEADMP CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085283177 538116311 /nfs/dbraw/zinc/11/63/11/538116311.db2.gz JKDGBULEUOPIDQ-MELADBBJSA-N 2 1 224.392 2.354 20 0 BEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC2CC2)C1 ZINC000336710416 188358801 /nfs/dbraw/zinc/35/88/01/188358801.db2.gz YYVXWPOAHDMOOT-CQSZACIVSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC2CC2)C1 ZINC000336710416 188358803 /nfs/dbraw/zinc/35/88/03/188358803.db2.gz YYVXWPOAHDMOOT-CQSZACIVSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000336710416 188358805 /nfs/dbraw/zinc/35/88/05/188358805.db2.gz YYVXWPOAHDMOOT-CQSZACIVSA-N 2 1 222.376 2.060 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccncc1F ZINC000338375367 188365739 /nfs/dbraw/zinc/36/57/39/188365739.db2.gz ZTXHIBHMAUJQIK-SNVBAGLBSA-N 2 1 248.305 2.076 20 0 BEADMP C[N@@H+](CCCCCF)CCCn1ccnc1 ZINC000284060948 188386031 /nfs/dbraw/zinc/38/60/31/188386031.db2.gz KDTFYJYJYZKWEP-UHFFFAOYSA-N 2 1 227.327 2.345 20 0 BEADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH3+] ZINC000252368453 363230238 /nfs/dbraw/zinc/23/02/38/363230238.db2.gz OXJYWERKFNGMGY-UONOGXRCSA-N 2 1 218.344 2.246 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000353565932 188393943 /nfs/dbraw/zinc/39/39/43/188393943.db2.gz LIJUMCJNDWOTAO-QWHCGFSZSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000353565932 188393945 /nfs/dbraw/zinc/39/39/45/188393945.db2.gz LIJUMCJNDWOTAO-QWHCGFSZSA-N 2 1 242.407 2.120 20 0 BEADMP Cc1ncc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)s1 ZINC000231462364 353605776 /nfs/dbraw/zinc/60/57/76/353605776.db2.gz JHZIGPWWLZSZBG-NSHDSACASA-N 2 1 239.388 2.025 20 0 BEADMP Cc1ncc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)s1 ZINC000231462364 353605779 /nfs/dbraw/zinc/60/57/79/353605779.db2.gz JHZIGPWWLZSZBG-NSHDSACASA-N 2 1 239.388 2.025 20 0 BEADMP CC(C)C[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000232709557 353760197 /nfs/dbraw/zinc/76/01/97/353760197.db2.gz OTNOTEOISXTQPE-STQMWFEESA-N 2 1 224.392 2.495 20 0 BEADMP Fc1ccccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000082554243 181011438 /nfs/dbraw/zinc/01/14/38/181011438.db2.gz DCPDPAUTFJVXIF-UHFFFAOYSA-N 2 1 248.345 2.401 20 0 BEADMP C[C@@H](c1cccnc1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000220425892 353836406 /nfs/dbraw/zinc/83/64/06/353836406.db2.gz XUEFFTWWMYPORX-QWHCGFSZSA-N 2 1 233.359 2.074 20 0 BEADMP C[C@@H](c1cccnc1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000220425892 353836408 /nfs/dbraw/zinc/83/64/08/353836408.db2.gz XUEFFTWWMYPORX-QWHCGFSZSA-N 2 1 233.359 2.074 20 0 BEADMP CCC[C@H](C[N@@H+](C)CCC[NH+]1CCCC1)OC ZINC000639132483 353842016 /nfs/dbraw/zinc/84/20/16/353842016.db2.gz OXMHJDXAIAXNLM-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP CCC[N@@H+](CC1CC1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000233035089 353788564 /nfs/dbraw/zinc/78/85/64/353788564.db2.gz REMWBNMXUDUQCZ-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H](C)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000343437957 353885945 /nfs/dbraw/zinc/88/59/45/353885945.db2.gz BJGDXJGFQCZVHY-AVGNSLFASA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@H](C)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000343437957 353885949 /nfs/dbraw/zinc/88/59/49/353885949.db2.gz BJGDXJGFQCZVHY-AVGNSLFASA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@H](C)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000343437957 353885951 /nfs/dbraw/zinc/88/59/51/353885951.db2.gz BJGDXJGFQCZVHY-AVGNSLFASA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@H](C)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000343437957 353885954 /nfs/dbraw/zinc/88/59/54/353885954.db2.gz BJGDXJGFQCZVHY-AVGNSLFASA-N 2 1 210.365 2.059 20 0 BEADMP C[C@H]1C[C@H]1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000343614029 353933704 /nfs/dbraw/zinc/93/37/04/353933704.db2.gz IPDSJZKCPKORNS-STQMWFEESA-N 2 1 210.365 2.060 20 0 BEADMP [NH3+]C1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000334551676 353991410 /nfs/dbraw/zinc/99/14/10/353991410.db2.gz PPZSISYXYZDFJG-OWOJBTEDSA-N 2 1 234.318 2.262 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000343923258 354043302 /nfs/dbraw/zinc/04/33/02/354043302.db2.gz GNERMXYMNQSQPH-BFHYXJOUSA-N 2 1 242.407 2.121 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000343923258 354043303 /nfs/dbraw/zinc/04/33/03/354043303.db2.gz GNERMXYMNQSQPH-BFHYXJOUSA-N 2 1 242.407 2.121 20 0 BEADMP CO[C@@H](C[N@@H+](C)CCC[NH+](C)C)C1CCCC1 ZINC000639167267 354050197 /nfs/dbraw/zinc/05/01/97/354050197.db2.gz CGAAXMGVNXCXBS-AWEZNQCLSA-N 2 1 242.407 2.075 20 0 BEADMP c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC000252476224 363334069 /nfs/dbraw/zinc/33/40/69/363334069.db2.gz MAIRFDXCHHKPFG-GJZGRUSLSA-N 2 1 230.355 2.261 20 0 BEADMP CC[C@H](C)[C@H](C[N@@H+](CC)CCC[NH+](C)C)OC ZINC000639175023 354190683 /nfs/dbraw/zinc/19/06/83/354190683.db2.gz GNOBGTUDKUDURI-KBPBESRZSA-N 2 1 244.423 2.321 20 0 BEADMP CCC[C@@H](C)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231463797 363344951 /nfs/dbraw/zinc/34/49/51/363344951.db2.gz KPBLXDDUQMBHBY-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[C@H](C[N@@H+](C)[C@H]1CCN(C)C[C@H]1C)OC ZINC000639180423 354278606 /nfs/dbraw/zinc/27/86/06/354278606.db2.gz WSDMMQOMWOFQNG-MCIONIFRSA-N 2 1 242.407 2.074 20 0 BEADMP CCC[C@H](C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)OC ZINC000639180423 354278610 /nfs/dbraw/zinc/27/86/10/354278610.db2.gz WSDMMQOMWOFQNG-MCIONIFRSA-N 2 1 242.407 2.074 20 0 BEADMP CCC[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)OC ZINC000639180423 354278612 /nfs/dbraw/zinc/27/86/12/354278612.db2.gz WSDMMQOMWOFQNG-MCIONIFRSA-N 2 1 242.407 2.074 20 0 BEADMP CCC[C@H](C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C)OC ZINC000639180423 354278614 /nfs/dbraw/zinc/27/86/14/354278614.db2.gz WSDMMQOMWOFQNG-MCIONIFRSA-N 2 1 242.407 2.074 20 0 BEADMP CCC[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C)OC ZINC000639180423 354278617 /nfs/dbraw/zinc/27/86/17/354278617.db2.gz WSDMMQOMWOFQNG-MCIONIFRSA-N 2 1 242.407 2.074 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+]CCC[C@@H]1CCO1 ZINC000639190614 354432234 /nfs/dbraw/zinc/43/22/34/354432234.db2.gz XEGLRGLAOKUJEL-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]CCC[C@@H]1CCO1 ZINC000639190614 354432235 /nfs/dbraw/zinc/43/22/35/354432235.db2.gz XEGLRGLAOKUJEL-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(O)cc1 ZINC000227928372 491067169 /nfs/dbraw/zinc/06/71/69/491067169.db2.gz SOKQFPIXTAXUPP-UHFFFAOYSA-N 2 1 236.359 2.166 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(O)cc1 ZINC000227928372 491067172 /nfs/dbraw/zinc/06/71/72/491067172.db2.gz SOKQFPIXTAXUPP-UHFFFAOYSA-N 2 1 236.359 2.166 20 0 BEADMP C[C@@H]1C[C@@H](Nc2cc3c(c[nH+]2)CCC3)CC[N@@H+]1C ZINC000639211385 354752241 /nfs/dbraw/zinc/75/22/41/354752241.db2.gz UBERYVMGQJYFFI-RISCZKNCSA-N 2 1 245.370 2.465 20 0 BEADMP C[C@@H]1C[C@@H](Nc2cc3c(c[nH+]2)CCC3)CC[N@H+]1C ZINC000639211385 354752242 /nfs/dbraw/zinc/75/22/42/354752242.db2.gz UBERYVMGQJYFFI-RISCZKNCSA-N 2 1 245.370 2.465 20 0 BEADMP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000346034017 354862416 /nfs/dbraw/zinc/86/24/16/354862416.db2.gz DQZGZHSCMXTHEQ-UKRRQHHQSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000346034017 354862420 /nfs/dbraw/zinc/86/24/20/354862420.db2.gz DQZGZHSCMXTHEQ-UKRRQHHQSA-N 2 1 232.371 2.288 20 0 BEADMP CC(C)C1CC([NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000335174027 354940620 /nfs/dbraw/zinc/94/06/20/354940620.db2.gz MUCMFTKQRGXWPY-XVSSEFHLSA-N 2 1 210.365 2.009 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000335204525 355039702 /nfs/dbraw/zinc/03/97/02/355039702.db2.gz NZPLRDGYJWCREB-OLZOCXBDSA-N 2 1 222.376 2.203 20 0 BEADMP CC[C@H]1C[C@H](C[N@@H+](C)CC(C)(C)C[NH3+])CCO1 ZINC000346679945 355011015 /nfs/dbraw/zinc/01/10/15/355011015.db2.gz MKZUBORYWRXTRF-OLZOCXBDSA-N 2 1 242.407 2.108 20 0 BEADMP CCCCOCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000040506804 358493879 /nfs/dbraw/zinc/49/38/79/358493879.db2.gz IFZFBRCSFFJZCR-MELADBBJSA-N 2 1 242.407 2.121 20 0 BEADMP CCCCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000040506697 358494213 /nfs/dbraw/zinc/49/42/13/358494213.db2.gz XOILBOAVUPQEOE-AGUYFDCRSA-N 2 1 240.391 2.018 20 0 BEADMP c1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000335240768 355152494 /nfs/dbraw/zinc/15/24/94/355152494.db2.gz OYSBTQPVSUUDLW-AWEZNQCLSA-N 2 1 246.354 2.242 20 0 BEADMP C[C@@H]1CCC[C@@H](C)[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346965931 355173028 /nfs/dbraw/zinc/17/30/28/355173028.db2.gz CELFRZSTANHTBY-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C[C@H](C)C1 ZINC000346989553 355189619 /nfs/dbraw/zinc/18/96/19/355189619.db2.gz RTLYOWSUIVNMQK-QWHCGFSZSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1CC[C@]2(CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)C1 ZINC000347000065 355196854 /nfs/dbraw/zinc/19/68/54/355196854.db2.gz YKRJHKIOIJPCIJ-KFWWJZLASA-N 2 1 236.403 2.498 20 0 BEADMP C[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@@H]1CC1(F)F ZINC000639241410 355227335 /nfs/dbraw/zinc/22/73/35/355227335.db2.gz FOZNLMZLDYFQNW-MNOVXSKESA-N 2 1 246.345 2.494 20 0 BEADMP C[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@@H]1CC1(F)F ZINC000639241410 355227338 /nfs/dbraw/zinc/22/73/38/355227338.db2.gz FOZNLMZLDYFQNW-MNOVXSKESA-N 2 1 246.345 2.494 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)CS1 ZINC000639244744 355248557 /nfs/dbraw/zinc/24/85/57/355248557.db2.gz OQLHIIMSVQKORD-RYUDHWBXSA-N 2 1 242.432 2.344 20 0 BEADMP CC[C@H](C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C)OC ZINC000412978753 191349075 /nfs/dbraw/zinc/34/90/75/191349075.db2.gz RAENIUXGXWCRLM-MJBXVCDLSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@H](C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C)OC ZINC000412978753 191349078 /nfs/dbraw/zinc/34/90/78/191349078.db2.gz RAENIUXGXWCRLM-MJBXVCDLSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@H](C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)OC ZINC000412978753 191349080 /nfs/dbraw/zinc/34/90/80/191349080.db2.gz RAENIUXGXWCRLM-MJBXVCDLSA-N 2 1 242.407 2.074 20 0 BEADMP C[C@H](F)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000352014822 134036095 /nfs/dbraw/zinc/03/60/95/134036095.db2.gz OBEWWRYUROLAGB-QJPTWQEYSA-N 2 1 216.344 2.149 20 0 BEADMP C[C@H](F)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000352014822 134036096 /nfs/dbraw/zinc/03/60/96/134036096.db2.gz OBEWWRYUROLAGB-QJPTWQEYSA-N 2 1 216.344 2.149 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CS1 ZINC000639256768 355300139 /nfs/dbraw/zinc/30/01/39/355300139.db2.gz FQTDWRMVEBMJDF-JHJVBQTASA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000414168738 191451810 /nfs/dbraw/zinc/45/18/10/191451810.db2.gz ALBZJVPCLYPJRD-KGLIPLIRSA-N 2 1 247.386 2.464 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](C)Cc1ccccc1C ZINC000414845224 191598986 /nfs/dbraw/zinc/59/89/86/191598986.db2.gz LWKCFRBVDPBPJG-CYBMUJFWSA-N 2 1 220.360 2.125 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCCF)C1 ZINC000352031257 134044707 /nfs/dbraw/zinc/04/47/07/134044707.db2.gz ZHICPUFROUQVQA-CYBMUJFWSA-N 2 1 230.371 2.400 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCCF)C1 ZINC000352031257 134044708 /nfs/dbraw/zinc/04/47/08/134044708.db2.gz ZHICPUFROUQVQA-CYBMUJFWSA-N 2 1 230.371 2.400 20 0 BEADMP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCO2)C1 ZINC000639305353 355667684 /nfs/dbraw/zinc/66/76/84/355667684.db2.gz PPBNEOGFOHCYDL-QWHCGFSZSA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)(C)[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCO2)C1 ZINC000639305353 355667687 /nfs/dbraw/zinc/66/76/87/355667687.db2.gz PPBNEOGFOHCYDL-QWHCGFSZSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@@H]1CC1(F)F ZINC000639347485 355793895 /nfs/dbraw/zinc/79/38/95/355793895.db2.gz ODVUMYZZZGKQRS-SRVKXCTJSA-N 2 1 246.345 2.352 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1C ZINC000216009462 355795472 /nfs/dbraw/zinc/79/54/72/355795472.db2.gz XERLLWGCXCOUPZ-DZGCQCFKSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1F ZINC000216048298 355800328 /nfs/dbraw/zinc/80/03/28/355800328.db2.gz AANOTBDSQYHWSN-AAEUAGOBSA-N 2 1 236.334 2.303 20 0 BEADMP CCc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)s1 ZINC000399233998 355852377 /nfs/dbraw/zinc/85/23/77/355852377.db2.gz DCACKGMRIQXPGB-GFCCVEGCSA-N 2 1 224.373 2.137 20 0 BEADMP CC[C@]1(C)CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000399376568 355867469 /nfs/dbraw/zinc/86/74/69/355867469.db2.gz OBCPRJFPTMFAMU-CHWSQXEVSA-N 2 1 210.365 2.108 20 0 BEADMP Cc1ncccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000236820125 363458602 /nfs/dbraw/zinc/45/86/02/363458602.db2.gz QJAKWNZHVBGVCD-UHFFFAOYSA-N 2 1 247.386 2.352 20 0 BEADMP Cc1ccc(C[C@H]2CCC[N@@H+]2C[C@@H](C)[NH3+])cc1 ZINC000420298201 192204615 /nfs/dbraw/zinc/20/46/15/192204615.db2.gz GZTWYGZGJVVCHT-UKRRQHHQSA-N 2 1 232.371 2.349 20 0 BEADMP C[C@H]1C[N@@H+](CCCc2ccsc2)CC[C@@H]1[NH3+] ZINC000420296017 192204914 /nfs/dbraw/zinc/20/49/14/192204914.db2.gz WLBHZYFXJWROCO-AAEUAGOBSA-N 2 1 238.400 2.350 20 0 BEADMP C[C@H](c1cccc(O)c1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420296019 192205079 /nfs/dbraw/zinc/20/50/79/192205079.db2.gz CVTSRNJMUXOYCM-CHWSQXEVSA-N 2 1 248.370 2.385 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCc2ccsc2)C1 ZINC000420303083 192206407 /nfs/dbraw/zinc/20/64/07/192206407.db2.gz WVEVTPGXMXLTAI-ZDUSSCGKSA-N 2 1 238.400 2.222 20 0 BEADMP FCCCCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420320284 192195671 /nfs/dbraw/zinc/19/56/71/192195671.db2.gz BCVRBFWKCCPIBQ-UONOGXRCSA-N 2 1 242.382 2.448 20 0 BEADMP FCCCCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420320282 192196079 /nfs/dbraw/zinc/19/60/79/192196079.db2.gz BCVRBFWKCCPIBQ-KGLIPLIRSA-N 2 1 242.382 2.448 20 0 BEADMP CCC[N@@H+](C)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420302963 192206615 /nfs/dbraw/zinc/20/66/15/192206615.db2.gz KCNMNVIXNKNETO-ZDUSSCGKSA-N 2 1 236.359 2.079 20 0 BEADMP CC(C)CCC1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000420303447 192206639 /nfs/dbraw/zinc/20/66/39/192206639.db2.gz NJRNDOAFZALHJO-LBPRGKRZSA-N 2 1 212.381 2.482 20 0 BEADMP CC[N@@H+](CC[C@H]1CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000420300993 192207099 /nfs/dbraw/zinc/20/70/99/192207099.db2.gz ABEHWVCBGQZIDF-UONOGXRCSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@@](C[NH3+])([NH2+]CCCCC(F)(F)F)C1CC1 ZINC000420292589 192203294 /nfs/dbraw/zinc/20/32/94/192203294.db2.gz PPTGWLJWGFIDPZ-JTQLQIEISA-N 2 1 238.297 2.436 20 0 BEADMP C[C@H](C1CC1)[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000420299997 192207681 /nfs/dbraw/zinc/20/76/81/192207681.db2.gz GYGXXYQIUXBBIK-NEPJUHHUSA-N 2 1 222.376 2.249 20 0 BEADMP CO[C@H](C)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C(C)C ZINC000420307607 192208176 /nfs/dbraw/zinc/20/81/76/192208176.db2.gz RNVPFAFZGIYJSK-KGLIPLIRSA-N 2 1 242.407 2.121 20 0 BEADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C(C1CC1)C1CC1 ZINC000420304834 192209808 /nfs/dbraw/zinc/20/98/08/192209808.db2.gz OSKZJSLGFMCXLS-LBPRGKRZSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000420312758 192210723 /nfs/dbraw/zinc/21/07/23/192210723.db2.gz XDWIVPOZKGOBIQ-HIFRSBDPSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000420312758 192210724 /nfs/dbraw/zinc/21/07/24/192210724.db2.gz XDWIVPOZKGOBIQ-HIFRSBDPSA-N 2 1 232.371 2.288 20 0 BEADMP CCc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000420311390 192211063 /nfs/dbraw/zinc/21/10/63/192211063.db2.gz RBDVXMNDVUEMCZ-HRCADAONSA-N 2 1 244.382 2.418 20 0 BEADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)C(C1CC1)C1CC1 ZINC000420311001 192211762 /nfs/dbraw/zinc/21/17/62/192211762.db2.gz VQEHAAFNGSTCGV-LLVKDONJSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCc2ccsc2)C1 ZINC000420313355 192212033 /nfs/dbraw/zinc/21/20/33/192212033.db2.gz JLUOTOKKOYJSRR-ZDUSSCGKSA-N 2 1 238.400 2.351 20 0 BEADMP CCc1cccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420315723 192212450 /nfs/dbraw/zinc/21/24/50/192212450.db2.gz XIAJKKYEFDQQPI-INIZCTEOSA-N 2 1 244.382 2.434 20 0 BEADMP CN(C)c1ccccc1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420369911 192226960 /nfs/dbraw/zinc/22/69/60/192226960.db2.gz VFZNUQNABZEXHB-CQSZACIVSA-N 2 1 249.402 2.216 20 0 BEADMP CC(C)[N@@H+](CC[C@@H]1CC[NH2+]C1)CC1CCC1 ZINC000420370554 192227839 /nfs/dbraw/zinc/22/78/39/192227839.db2.gz JNYQRZWIKNHAGC-ZDUSSCGKSA-N 2 1 224.392 2.497 20 0 BEADMP CCSCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420328339 192229423 /nfs/dbraw/zinc/22/94/23/192229423.db2.gz MHXCHPCZPQNTLG-OLZOCXBDSA-N 2 1 242.432 2.061 20 0 BEADMP Cc1cc([C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)on1 ZINC000420326824 192229728 /nfs/dbraw/zinc/22/97/28/192229728.db2.gz XVHBZAZAYFFEOZ-STQMWFEESA-N 2 1 249.358 2.120 20 0 BEADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000639532159 356381763 /nfs/dbraw/zinc/38/17/63/356381763.db2.gz BIMFKAYCJCBTOX-RWMBFGLXSA-N 2 1 249.358 2.014 20 0 BEADMP CCCCOCC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420372654 192230037 /nfs/dbraw/zinc/23/00/37/192230037.db2.gz QHUTXRGGUISXIN-CQSZACIVSA-N 2 1 242.407 2.300 20 0 BEADMP [NH3+]C[C@H]([NH2+]CCC(F)(F)F)C1CCCCC1 ZINC000420363590 192223612 /nfs/dbraw/zinc/22/36/12/192223612.db2.gz PNBMMCRGGMYVEJ-JTQLQIEISA-N 2 1 238.297 2.436 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCc1ccccc1 ZINC000420378511 192232979 /nfs/dbraw/zinc/23/29/79/192232979.db2.gz XCIRRQCQZBVYNI-UMVBOHGHSA-N 2 1 232.371 2.205 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCc1ccccc1 ZINC000420378510 192233242 /nfs/dbraw/zinc/23/32/42/192233242.db2.gz XCIRRQCQZBVYNI-NFAWXSAZSA-N 2 1 232.371 2.205 20 0 BEADMP CCc1cc(N(C)C[C@H]2CCC[N@H+]2C)cc[nH+]1 ZINC000420635810 192253040 /nfs/dbraw/zinc/25/30/40/192253040.db2.gz MILAWBBDTRPWIT-CQSZACIVSA-N 2 1 233.359 2.174 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)s1 ZINC000167596605 134118444 /nfs/dbraw/zinc/11/84/44/134118444.db2.gz CNHUWTXKMZMZPT-ZYHUDNBSSA-N 2 1 238.400 2.473 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)[C@H]1C ZINC000449778317 202030821 /nfs/dbraw/zinc/03/08/21/202030821.db2.gz BILKTJBPOBMOJR-FRRDWIJNSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)[C@H]1C ZINC000449778317 202030825 /nfs/dbraw/zinc/03/08/25/202030825.db2.gz BILKTJBPOBMOJR-FRRDWIJNSA-N 2 1 224.392 2.495 20 0 BEADMP CC1CC([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC000449782029 202034006 /nfs/dbraw/zinc/03/40/06/202034006.db2.gz KAGXBJPYIPMSML-UHFFFAOYSA-N 2 1 210.365 2.249 20 0 BEADMP CC1CC([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC000449782029 202034007 /nfs/dbraw/zinc/03/40/07/202034007.db2.gz KAGXBJPYIPMSML-UHFFFAOYSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)[C@@H]1C ZINC000449778319 202031466 /nfs/dbraw/zinc/03/14/66/202031466.db2.gz BILKTJBPOBMOJR-UPJWGTAASA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)[C@@H]1C ZINC000449778319 202031470 /nfs/dbraw/zinc/03/14/70/202031470.db2.gz BILKTJBPOBMOJR-UPJWGTAASA-N 2 1 224.392 2.495 20 0 BEADMP Cc1nccn1C[C@H]1CCCC[N@@H+]1C(C)C ZINC000336194071 134125112 /nfs/dbraw/zinc/12/51/12/134125112.db2.gz QYCMKNLDGYBLLZ-CYBMUJFWSA-N 2 1 221.348 2.454 20 0 BEADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000226877344 491098081 /nfs/dbraw/zinc/09/80/81/491098081.db2.gz FOMJUGQYJFNDNB-IGQOVBAYSA-N 2 1 240.391 2.016 20 0 BEADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000226877344 491098082 /nfs/dbraw/zinc/09/80/82/491098082.db2.gz FOMJUGQYJFNDNB-IGQOVBAYSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@@H](C)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758873 356670085 /nfs/dbraw/zinc/67/00/85/356670085.db2.gz YADCCLDJCUREBW-CYBMUJFWSA-N 2 1 224.392 2.450 20 0 BEADMP C([NH2+][C@@H]1CCC[NH2+]C1)C1CCCCCC1 ZINC000389460326 356680143 /nfs/dbraw/zinc/68/01/43/356680143.db2.gz JOZIUFIUMWGFQG-CYBMUJFWSA-N 2 1 210.365 2.298 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623341411 356741939 /nfs/dbraw/zinc/74/19/39/356741939.db2.gz AVRJWNSLIMUOCG-JQWIXIFHSA-N 2 1 210.365 2.247 20 0 BEADMP CC(C)OCCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623338224 356732876 /nfs/dbraw/zinc/73/28/76/356732876.db2.gz QNRWQNFOCNROSI-CYBMUJFWSA-N 2 1 242.407 2.264 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623360543 356804696 /nfs/dbraw/zinc/80/46/96/356804696.db2.gz NTHZAPBZPHSYNW-AWEZNQCLSA-N 2 1 247.386 2.352 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623360543 356804698 /nfs/dbraw/zinc/80/46/98/356804698.db2.gz NTHZAPBZPHSYNW-AWEZNQCLSA-N 2 1 247.386 2.352 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261550463 535350574 /nfs/dbraw/zinc/35/05/74/535350574.db2.gz PLYFTMNKMOBEGE-RYUDHWBXSA-N 2 1 212.381 2.482 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCCO2)CC1(C)C ZINC000623377439 356896833 /nfs/dbraw/zinc/89/68/33/356896833.db2.gz ZAARRMJNQDBTMJ-OLZOCXBDSA-N 2 1 240.391 2.018 20 0 BEADMP CCc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)s1 ZINC000019843414 356901666 /nfs/dbraw/zinc/90/16/66/356901666.db2.gz ZHOBWWOMZJERAV-NSHDSACASA-N 2 1 238.400 2.481 20 0 BEADMP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CC[NH3+])C1 ZINC000423176383 192610478 /nfs/dbraw/zinc/61/04/78/192610478.db2.gz BZDRVAYGRBGGJF-UONOGXRCSA-N 2 1 218.344 2.045 20 0 BEADMP C[NH2+]CCC[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000423202855 192626754 /nfs/dbraw/zinc/62/67/54/192626754.db2.gz RMTZANWVIWHNMW-CYBMUJFWSA-N 2 1 239.338 2.117 20 0 BEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(O)c1 ZINC000423205526 192627334 /nfs/dbraw/zinc/62/73/34/192627334.db2.gz BURTWKKUAMWJGA-RAQOOLMWSA-N 2 1 246.354 2.326 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC(C)(C)C2)C1 ZINC000389864299 357057324 /nfs/dbraw/zinc/05/73/24/357057324.db2.gz FYJHWSZXYPGKHP-NSHDSACASA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccncc2C)C1 ZINC000582400856 357132711 /nfs/dbraw/zinc/13/27/11/357132711.db2.gz YQUOJMXXKWSREC-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccncc2C)C1 ZINC000582400856 357132714 /nfs/dbraw/zinc/13/27/14/357132714.db2.gz YQUOJMXXKWSREC-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccncc2C)C1 ZINC000582400856 357132717 /nfs/dbraw/zinc/13/27/17/357132717.db2.gz YQUOJMXXKWSREC-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccncc2C)C1 ZINC000582400856 357132722 /nfs/dbraw/zinc/13/27/22/357132722.db2.gz YQUOJMXXKWSREC-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccncc2C)C1 ZINC000582400856 357132723 /nfs/dbraw/zinc/13/27/23/357132723.db2.gz YQUOJMXXKWSREC-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)[C@H]1C[C@H]1C ZINC000423261566 192656605 /nfs/dbraw/zinc/65/66/05/192656605.db2.gz KEMWEEIDUDEOSS-VOAKCMCISA-N 2 1 212.381 2.384 20 0 BEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000628425708 357253127 /nfs/dbraw/zinc/25/31/27/357253127.db2.gz SNBGIOCXBXMITM-KBXIAJHMSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347032454 134196463 /nfs/dbraw/zinc/19/64/63/134196463.db2.gz ABIDRIJWUOFBGV-RDBSUJKOSA-N 2 1 224.392 2.483 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000356849535 538819613 /nfs/dbraw/zinc/81/96/13/538819613.db2.gz PSLANNGPNUUWMM-MJBXVCDLSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000583054019 357462080 /nfs/dbraw/zinc/46/20/80/357462080.db2.gz DQSDHUIOTFLKBZ-HZSPNIEDSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000583054019 357462082 /nfs/dbraw/zinc/46/20/82/357462082.db2.gz DQSDHUIOTFLKBZ-HZSPNIEDSA-N 2 1 242.407 2.121 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC2(C)CC2)C1 ZINC000584386854 357481159 /nfs/dbraw/zinc/48/11/59/357481159.db2.gz FZZBCXDQRBYDAA-GFCCVEGCSA-N 2 1 210.365 2.060 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](CC2(C)CC2)C1 ZINC000584386854 357481165 /nfs/dbraw/zinc/48/11/65/357481165.db2.gz FZZBCXDQRBYDAA-GFCCVEGCSA-N 2 1 210.365 2.060 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC2(C)CC2)C1 ZINC000584386854 357481168 /nfs/dbraw/zinc/48/11/68/357481168.db2.gz FZZBCXDQRBYDAA-GFCCVEGCSA-N 2 1 210.365 2.060 20 0 BEADMP CC1CC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000231788601 357630122 /nfs/dbraw/zinc/63/01/22/357630122.db2.gz MYUWKPLUOBIAGO-ZRRUAHMRSA-N 2 1 222.376 2.390 20 0 BEADMP CC1CC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000231788601 357630126 /nfs/dbraw/zinc/63/01/26/357630126.db2.gz MYUWKPLUOBIAGO-ZRRUAHMRSA-N 2 1 222.376 2.390 20 0 BEADMP Cc1c[nH+]ccc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000191979854 357818701 /nfs/dbraw/zinc/81/87/01/357818701.db2.gz KQEJKFKPIIBOSG-CYBMUJFWSA-N 2 1 231.343 2.065 20 0 BEADMP Cc1c[nH+]ccc1N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000192598349 357845457 /nfs/dbraw/zinc/84/54/57/357845457.db2.gz PTHNOMJLYYENSZ-ZDUSSCGKSA-N 2 1 233.359 2.168 20 0 BEADMP Cc1cc(Cl)ccc1C[N@@H+](C)CCC[NH3+] ZINC000220232001 358028831 /nfs/dbraw/zinc/02/88/31/358028831.db2.gz RAKHARXRMFFULS-UHFFFAOYSA-N 2 1 226.751 2.429 20 0 BEADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)o1 ZINC000040621077 358242922 /nfs/dbraw/zinc/24/29/22/358242922.db2.gz XYOKKPYEMRKSCO-CYBMUJFWSA-N 2 1 236.359 2.408 20 0 BEADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)o1 ZINC000040621077 358242924 /nfs/dbraw/zinc/24/29/24/358242924.db2.gz XYOKKPYEMRKSCO-CYBMUJFWSA-N 2 1 236.359 2.408 20 0 BEADMP CCC(CC)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040621438 358243055 /nfs/dbraw/zinc/24/30/55/358243055.db2.gz NPLDKIAVAMREJO-LBPRGKRZSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C2CC2)C1 ZINC000040621459 358243217 /nfs/dbraw/zinc/24/32/17/358243217.db2.gz AHDNCOBMGLDNLK-RYUDHWBXSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000223457313 358222236 /nfs/dbraw/zinc/22/22/36/358222236.db2.gz XZIQPSYCMVVNCT-QJPTWQEYSA-N 2 1 212.381 2.493 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000223457313 358222238 /nfs/dbraw/zinc/22/22/38/358222238.db2.gz XZIQPSYCMVVNCT-QJPTWQEYSA-N 2 1 212.381 2.493 20 0 BEADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1C=CCCC1 ZINC000172584043 134268228 /nfs/dbraw/zinc/26/82/28/134268228.db2.gz UDTDKSXEAHBKAB-KBPBESRZSA-N 2 1 222.376 2.369 20 0 BEADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1C=CCCC1 ZINC000172584043 134268229 /nfs/dbraw/zinc/26/82/29/134268229.db2.gz UDTDKSXEAHBKAB-KBPBESRZSA-N 2 1 222.376 2.369 20 0 BEADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1C=CCCC1 ZINC000172584043 134268230 /nfs/dbraw/zinc/26/82/30/134268230.db2.gz UDTDKSXEAHBKAB-KBPBESRZSA-N 2 1 222.376 2.369 20 0 BEADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1C=CCCC1 ZINC000172584043 134268231 /nfs/dbraw/zinc/26/82/31/134268231.db2.gz UDTDKSXEAHBKAB-KBPBESRZSA-N 2 1 222.376 2.369 20 0 BEADMP CC1=CCC[C@H](C)[C@H]1C[N@@H+](C)CC1CN(C)C1 ZINC000668538701 491127328 /nfs/dbraw/zinc/12/73/28/491127328.db2.gz AJAZHAXIQWLOSX-ZFWWWQNUSA-N 2 1 236.403 2.472 20 0 BEADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000219098120 134273621 /nfs/dbraw/zinc/27/36/21/134273621.db2.gz FGFOVDQKNMJXSB-QWRGUYRKSA-N 2 1 222.307 2.167 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000226878798 358346636 /nfs/dbraw/zinc/34/66/36/358346636.db2.gz OGAWICBJXCBKIG-TZMCWYRMSA-N 2 1 218.344 2.307 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(O)c1 ZINC000044534560 358389261 /nfs/dbraw/zinc/38/92/61/358389261.db2.gz ZXDUYUYVSOILOH-OLZOCXBDSA-N 2 1 248.370 2.385 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000044535024 358389808 /nfs/dbraw/zinc/38/98/08/358389808.db2.gz IUUHDEBWQKNNHR-OLZOCXBDSA-N 2 1 233.359 2.074 20 0 BEADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCOCC2)CCCC1 ZINC000132032748 358704724 /nfs/dbraw/zinc/70/47/24/358704724.db2.gz NCGSRVHYPHSKHW-CYBMUJFWSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCOc1ccccc1 ZINC000131597601 358684313 /nfs/dbraw/zinc/68/43/13/358684313.db2.gz OOXZVUSMUMBUDU-KGLIPLIRSA-N 2 1 248.370 2.125 20 0 BEADMP Cc1nc(C)c([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)s1 ZINC000049538741 358694631 /nfs/dbraw/zinc/69/46/31/358694631.db2.gz UUHDPIIFDSRNHS-KCJUWKMLSA-N 2 1 241.404 2.394 20 0 BEADMP C[NH+](C)CCCC[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000132078479 358705909 /nfs/dbraw/zinc/70/59/09/358705909.db2.gz XHIBOUBAEPTLBU-GJZGRUSLSA-N 2 1 247.386 2.063 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000219775024 134291016 /nfs/dbraw/zinc/29/10/16/134291016.db2.gz PYOLQBREACEXHT-GXTWGEPZSA-N 2 1 218.344 2.164 20 0 BEADMP FCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000133004316 358743184 /nfs/dbraw/zinc/74/31/84/358743184.db2.gz DYABPCWGNZTDCB-ZDUSSCGKSA-N 2 1 228.355 2.296 20 0 BEADMP CC[NH+](CC)CCC[NH2+]Cc1cnccc1C ZINC000135431804 358837289 /nfs/dbraw/zinc/83/72/89/358837289.db2.gz ZHEGEYAJECKHTB-UHFFFAOYSA-N 2 1 235.375 2.212 20 0 BEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]CC2(F)CC2)C1 ZINC000309627891 358949364 /nfs/dbraw/zinc/94/93/64/358949364.db2.gz QODZWRHFGSSTEP-LBPRGKRZSA-N 2 1 228.355 2.199 20 0 BEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CC2(F)CC2)C1 ZINC000309627891 358949366 /nfs/dbraw/zinc/94/93/66/358949366.db2.gz QODZWRHFGSSTEP-LBPRGKRZSA-N 2 1 228.355 2.199 20 0 BEADMP CC[C@H](C)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246464476 359107224 /nfs/dbraw/zinc/10/72/24/359107224.db2.gz ZGLSWMYAQQSKGY-STQMWFEESA-N 2 1 212.381 2.306 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCS1 ZINC000246482047 359116324 /nfs/dbraw/zinc/11/63/24/359116324.db2.gz GQOHRAQPBBWBEP-LPWJVIDDSA-N 2 1 242.432 2.200 20 0 BEADMP FCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246969073 359178858 /nfs/dbraw/zinc/17/88/58/359178858.db2.gz VIKBEPBGGQMULS-TZMCWYRMSA-N 2 1 240.366 2.295 20 0 BEADMP FCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246969073 359178860 /nfs/dbraw/zinc/17/88/60/359178860.db2.gz VIKBEPBGGQMULS-TZMCWYRMSA-N 2 1 240.366 2.295 20 0 BEADMP FCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246969073 359178863 /nfs/dbraw/zinc/17/88/63/359178863.db2.gz VIKBEPBGGQMULS-TZMCWYRMSA-N 2 1 240.366 2.295 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC=CCC1 ZINC000247233849 359203492 /nfs/dbraw/zinc/20/34/92/359203492.db2.gz XEADMHTWLUHBPI-SYQHCUMBSA-N 2 1 222.376 2.413 20 0 BEADMP CCc1nc(NCC2=CC[N@H+](C)CC2)cc(C)[nH+]1 ZINC000286622634 359369833 /nfs/dbraw/zinc/36/98/33/359369833.db2.gz VZKGAPINQPWIKF-UHFFFAOYSA-N 2 1 246.358 2.021 20 0 BEADMP CCc1nc(NCC2=CC[N@@H+](C)CC2)cc(C)[nH+]1 ZINC000286622634 359369839 /nfs/dbraw/zinc/36/98/39/359369839.db2.gz VZKGAPINQPWIKF-UHFFFAOYSA-N 2 1 246.358 2.021 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCC(F)(F)F)CC1(C)C ZINC000623436184 359328522 /nfs/dbraw/zinc/32/85/22/359328522.db2.gz IFILNRFFYFEMSB-VIFPVBQESA-N 2 1 238.297 2.401 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCCSC2)CC1(C)C ZINC000623439384 359332854 /nfs/dbraw/zinc/33/28/54/359332854.db2.gz GRPPWZBOXXFELC-NEPJUHHUSA-N 2 1 242.432 2.344 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CC2)CC1(C)C ZINC000623439658 359333018 /nfs/dbraw/zinc/33/30/18/359333018.db2.gz SBAUEJAOTNGCSE-NSHDSACASA-N 2 1 210.365 2.249 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](OC)C2)CC1 ZINC000223816928 491140564 /nfs/dbraw/zinc/14/05/64/491140564.db2.gz LBYXVLIOFXMVBU-KBPBESRZSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)[C@H]1C ZINC000423498505 192795288 /nfs/dbraw/zinc/79/52/88/192795288.db2.gz BJOCHYPAJPOBON-ZLTXHLNPSA-N 2 1 244.382 2.376 20 0 BEADMP CCc1nc(NCC(C)(C)[NH+](C)C)cc(C)[nH+]1 ZINC000285813039 359535463 /nfs/dbraw/zinc/53/54/63/359535463.db2.gz YVYRCKAOTRVERP-UHFFFAOYSA-N 2 1 236.363 2.100 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCSC(C)(C)C1 ZINC000162215623 359711320 /nfs/dbraw/zinc/71/13/20/359711320.db2.gz VMEGRCVMRPROSO-LBPRGKRZSA-N 2 1 242.432 2.298 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCSC(C)(C)C1 ZINC000162215623 359711324 /nfs/dbraw/zinc/71/13/24/359711324.db2.gz VMEGRCVMRPROSO-LBPRGKRZSA-N 2 1 242.432 2.298 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCSC(C)(C)C1 ZINC000162215623 359711327 /nfs/dbraw/zinc/71/13/27/359711327.db2.gz VMEGRCVMRPROSO-LBPRGKRZSA-N 2 1 242.432 2.298 20 0 BEADMP CC[NH+](CC)CCCn1c[nH+]c2c1CCCC2 ZINC000451196209 202374339 /nfs/dbraw/zinc/37/43/39/202374339.db2.gz QAOHJUMAHRBRCG-UHFFFAOYSA-N 2 1 235.375 2.494 20 0 BEADMP CC[N@H+](CCCc1c[nH+]cn1C)C1CCC1 ZINC000578762047 366641905 /nfs/dbraw/zinc/64/19/05/366641905.db2.gz XRAATWIYCOPTHE-UHFFFAOYSA-N 2 1 221.348 2.227 20 0 BEADMP CC[N@@H+](CCCc1c[nH+]cn1C)C1CCC1 ZINC000578762047 366641910 /nfs/dbraw/zinc/64/19/10/366641910.db2.gz XRAATWIYCOPTHE-UHFFFAOYSA-N 2 1 221.348 2.227 20 0 BEADMP COCc1cccc(C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000088555213 359965518 /nfs/dbraw/zinc/96/55/18/359965518.db2.gz HANJLFZRPXIHTB-OAHLLOKOSA-N 2 1 248.370 2.004 20 0 BEADMP CC1CCC([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000089555129 360025814 /nfs/dbraw/zinc/02/58/14/360025814.db2.gz QTHTYBOOMWTMBM-YIOUJQMASA-N 2 1 224.392 2.495 20 0 BEADMP CC1CCC([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000089555129 360025816 /nfs/dbraw/zinc/02/58/16/360025816.db2.gz QTHTYBOOMWTMBM-YIOUJQMASA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(C)CCCC1 ZINC000089555363 360026401 /nfs/dbraw/zinc/02/64/01/360026401.db2.gz IAPZSHYFRUURSX-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP COc1cccc(C[N@@H+](C)CC[C@H]2CC[NH2+]C2)c1 ZINC000089749233 360036994 /nfs/dbraw/zinc/03/69/94/360036994.db2.gz ZEYNRECJGJOTHO-CYBMUJFWSA-N 2 1 248.370 2.127 20 0 BEADMP CC(C)C1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000090230522 360067568 /nfs/dbraw/zinc/06/75/68/360067568.db2.gz SNUDHVCQFKJEFK-OLZOCXBDSA-N 2 1 224.392 2.352 20 0 BEADMP CCCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662716 360121761 /nfs/dbraw/zinc/12/17/61/360121761.db2.gz FCBXEHQVCGBHFV-BFHYXJOUSA-N 2 1 240.391 2.018 20 0 BEADMP CCCC[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091662716 360121766 /nfs/dbraw/zinc/12/17/66/360121766.db2.gz FCBXEHQVCGBHFV-BFHYXJOUSA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000309347141 491148173 /nfs/dbraw/zinc/14/81/73/491148173.db2.gz LZQRZICXZAOHLR-XBFCOCLRSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000309347141 491148174 /nfs/dbraw/zinc/14/81/74/491148174.db2.gz LZQRZICXZAOHLR-XBFCOCLRSA-N 2 1 224.392 2.493 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000133277270 491149367 /nfs/dbraw/zinc/14/93/67/491149367.db2.gz ZZYOZNOFGJINJC-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC000631564594 360994539 /nfs/dbraw/zinc/99/45/39/360994539.db2.gz UWWTXOXHBBWFNP-OAHLLOKOSA-N 2 1 245.370 2.143 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000156585750 360990789 /nfs/dbraw/zinc/99/07/89/360990789.db2.gz RNTPZQVZSQFYDG-RTXFEEFZSA-N 2 1 210.365 2.247 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000156585750 360990793 /nfs/dbraw/zinc/99/07/93/360990793.db2.gz RNTPZQVZSQFYDG-RTXFEEFZSA-N 2 1 210.365 2.247 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C(C)C)CC1 ZINC000309673654 491153703 /nfs/dbraw/zinc/15/37/03/491153703.db2.gz WYKAWAWIZJCINH-UONOGXRCSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)CCc1ccco1 ZINC000629391130 361045536 /nfs/dbraw/zinc/04/55/36/361045536.db2.gz WCQAMAFBXOKADN-KWCYVHTRSA-N 2 1 236.359 2.331 20 0 BEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)Cc1ccsc1 ZINC000629390724 361045961 /nfs/dbraw/zinc/04/59/61/361045961.db2.gz WDJOYATVYMJKEU-KGYLQXTDSA-N 2 1 238.400 2.409 20 0 BEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000629391151 361045980 /nfs/dbraw/zinc/04/59/80/361045980.db2.gz WQKHTJXPJFUAQO-OWCLPIDISA-N 2 1 244.382 2.274 20 0 BEADMP C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629408177 361056944 /nfs/dbraw/zinc/05/69/44/361056944.db2.gz RBDKDHFSZAMJFA-JBLDHEPKSA-N 2 1 224.373 2.019 20 0 BEADMP [NH3+][C@H](C[NH2+]Cc1ccc(Cl)cc1)C1CC1 ZINC000414901094 219883382 /nfs/dbraw/zinc/88/33/82/219883382.db2.gz WULPTHODZBBGBG-GFCCVEGCSA-N 2 1 224.735 2.167 20 0 BEADMP C1CC1C1([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000309697898 491154650 /nfs/dbraw/zinc/15/46/50/491154650.db2.gz RXSVCAUIELJUKA-CHWSQXEVSA-N 2 1 220.360 2.145 20 0 BEADMP C1CC1C1([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000309697900 491154606 /nfs/dbraw/zinc/15/46/06/491154606.db2.gz RXSVCAUIELJUKA-QWHCGFSZSA-N 2 1 220.360 2.145 20 0 BEADMP CC1(C)CC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000336658148 361320270 /nfs/dbraw/zinc/32/02/70/361320270.db2.gz MLAIQVVELMRROV-AVGNSLFASA-N 2 1 222.376 2.391 20 0 BEADMP CC1(C)CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000336658148 361320273 /nfs/dbraw/zinc/32/02/73/361320273.db2.gz MLAIQVVELMRROV-AVGNSLFASA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@H](CSC)[NH2+]C1CC[NH+](CC)CC1 ZINC000162355183 361348283 /nfs/dbraw/zinc/34/82/83/361348283.db2.gz SNPYODSPJVQWMS-LLVKDONJSA-N 2 1 230.421 2.202 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2ccsc2)CCCCC1 ZINC000063147270 181332025 /nfs/dbraw/zinc/33/20/25/181332025.db2.gz HGEWWKDVQKLIRF-UHFFFAOYSA-N 2 1 224.373 2.499 20 0 BEADMP CCC[C@H](C)CCC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000629535735 361410213 /nfs/dbraw/zinc/41/02/13/361410213.db2.gz DPVNBTPXQRBXDG-UONOGXRCSA-N 2 1 242.407 2.252 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)[C@@H]1C[C@H]1C ZINC000629540438 361413820 /nfs/dbraw/zinc/41/38/20/361413820.db2.gz PIGVSCIFTMZPTB-MLGHIDQZSA-N 2 1 210.365 2.151 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@]32C)C[NH2+]1 ZINC000629534684 361407664 /nfs/dbraw/zinc/40/76/64/361407664.db2.gz ASCKGAMCRDVWDE-MBJXGIAVSA-N 2 1 222.376 2.295 20 0 BEADMP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@H](C)C1(F)F ZINC000629553170 361437186 /nfs/dbraw/zinc/43/71/86/361437186.db2.gz VJIZYJRUUSYQBX-GRYCIOLGSA-N 2 1 246.345 2.209 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H]2C2CCC2)C[NH2+]1 ZINC000629542548 361418914 /nfs/dbraw/zinc/41/89/14/361418914.db2.gz FPWFSIMJMDYYME-CABNGKKXSA-N 2 1 222.376 2.295 20 0 BEADMP CC[C@H](c1ccccc1)[N@@H+](C)CCOCC[NH3+] ZINC000629579297 361464222 /nfs/dbraw/zinc/46/42/22/361464222.db2.gz QUFZGMNSCYVKFH-CQSZACIVSA-N 2 1 236.359 2.045 20 0 BEADMP C[N@@H+](CCOCC[NH3+])CCC1CCCCCC1 ZINC000629581361 361471175 /nfs/dbraw/zinc/47/11/75/361471175.db2.gz XYTPQBMKNNDEMU-UHFFFAOYSA-N 2 1 242.407 2.254 20 0 BEADMP C[C@@H](c1ccccn1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585099 361473476 /nfs/dbraw/zinc/47/34/76/361473476.db2.gz KALDFBZKEKEQFA-AEGPPILISA-N 2 1 245.370 2.074 20 0 BEADMP C[C@@H](c1ccccn1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585099 361473481 /nfs/dbraw/zinc/47/34/81/361473481.db2.gz KALDFBZKEKEQFA-AEGPPILISA-N 2 1 245.370 2.074 20 0 BEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCC1CCCC1)C2 ZINC000629585294 361474479 /nfs/dbraw/zinc/47/44/79/361474479.db2.gz QGGSXXQYUIEDOY-GASCZTMLSA-N 2 1 236.403 2.498 20 0 BEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC1CCCC1)C2 ZINC000629594986 361482144 /nfs/dbraw/zinc/48/21/44/361482144.db2.gz KZVJYKRSXRHXGS-OKILXGFUSA-N 2 1 222.376 2.108 20 0 BEADMP CC(C)=CCC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629595849 361483614 /nfs/dbraw/zinc/48/36/14/361483614.db2.gz ROFUUCSIMIZXRF-OKILXGFUSA-N 2 1 222.376 2.274 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(C)C)[C@H](C)C1 ZINC000151768844 201180800 /nfs/dbraw/zinc/18/08/00/201180800.db2.gz GHFFQHKDQDJCJY-CHWSQXEVSA-N 2 1 212.381 2.352 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1C ZINC000151882512 201185837 /nfs/dbraw/zinc/18/58/37/201185837.db2.gz SMHMVBDCCPMYHE-RWMBFGLXSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1C ZINC000151882512 201185841 /nfs/dbraw/zinc/18/58/41/201185841.db2.gz SMHMVBDCCPMYHE-RWMBFGLXSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C(C)(C)C ZINC000152459401 201200792 /nfs/dbraw/zinc/20/07/92/201200792.db2.gz VGHMXPUWMHNNPU-NEPJUHHUSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCCC(F)(F)CC1 ZINC000629653953 361554789 /nfs/dbraw/zinc/55/47/89/361554789.db2.gz KINHHMPUCGCIMD-LLVKDONJSA-N 2 1 234.334 2.481 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCCC(F)(F)CC1 ZINC000629653953 361554793 /nfs/dbraw/zinc/55/47/93/361554793.db2.gz KINHHMPUCGCIMD-LLVKDONJSA-N 2 1 234.334 2.481 20 0 BEADMP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000435370288 201265743 /nfs/dbraw/zinc/26/57/43/201265743.db2.gz HZWIENKBJAPESN-UKRRQHHQSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000435370288 201265747 /nfs/dbraw/zinc/26/57/47/201265747.db2.gz HZWIENKBJAPESN-UKRRQHHQSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000435370286 201266488 /nfs/dbraw/zinc/26/64/88/201266488.db2.gz HZWIENKBJAPESN-HIFRSBDPSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]1C[NH3+] ZINC000435370286 201266491 /nfs/dbraw/zinc/26/64/91/201266491.db2.gz HZWIENKBJAPESN-HIFRSBDPSA-N 2 1 232.371 2.288 20 0 BEADMP Cc1ccc(C[C@@H](C)[N@@H+](C)CCC[NH3+])cc1 ZINC000435396778 201270053 /nfs/dbraw/zinc/27/00/53/201270053.db2.gz YJXXQWNACVRMLB-CYBMUJFWSA-N 2 1 220.360 2.207 20 0 BEADMP CCCCOCC[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435629573 201279737 /nfs/dbraw/zinc/27/97/37/201279737.db2.gz ULFPIWCRDUTBRZ-CQSZACIVSA-N 2 1 242.407 2.267 20 0 BEADMP C[NH2+]CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000435875602 201289682 /nfs/dbraw/zinc/28/96/82/201289682.db2.gz TXQUEQXHEHPPEY-CQSZACIVSA-N 2 1 248.370 2.094 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1ccccc1 ZINC000435872272 201290351 /nfs/dbraw/zinc/29/03/51/201290351.db2.gz NTBUYBNMDUBJEE-AWEZNQCLSA-N 2 1 218.344 2.433 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000435886224 201296739 /nfs/dbraw/zinc/29/67/39/201296739.db2.gz URVFIVMCVZIMEY-HNNXBMFYSA-N 2 1 248.370 2.442 20 0 BEADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000435873635 201292861 /nfs/dbraw/zinc/29/28/61/201292861.db2.gz DYZMRVUTUMFGHP-AWEZNQCLSA-N 2 1 234.387 2.467 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC000436399460 201323789 /nfs/dbraw/zinc/32/37/89/201323789.db2.gz DVAOBDLXYDJOCC-AAEUAGOBSA-N 2 1 233.359 2.426 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC000436399462 201324829 /nfs/dbraw/zinc/32/48/29/201324829.db2.gz DVAOBDLXYDJOCC-DGCLKSJQSA-N 2 1 233.359 2.426 20 0 BEADMP [NH3+]C1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000020244490 181344663 /nfs/dbraw/zinc/34/46/63/181344663.db2.gz LQXGJTGWBMCIPU-UHFFFAOYSA-N 2 1 241.338 2.158 20 0 BEADMP [NH3+]C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000020521680 181345359 /nfs/dbraw/zinc/34/53/59/181345359.db2.gz UAVOPVUWOGMPGW-UHFFFAOYSA-N 2 1 230.311 2.356 20 0 BEADMP CC1CCC([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000398971075 364401985 /nfs/dbraw/zinc/40/19/85/364401985.db2.gz WBDZXLQYWUOUOZ-MVKMKZAISA-N 2 1 210.365 2.295 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CC(C)(F)C1 ZINC000453256545 202722277 /nfs/dbraw/zinc/72/22/77/202722277.db2.gz UFZLSYQEUJIYML-SRMYXAEUSA-N 2 1 228.355 2.195 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)CCO1 ZINC000453387785 202757043 /nfs/dbraw/zinc/75/70/43/202757043.db2.gz BFQXRSHIUUJALD-CHWSQXEVSA-N 2 1 240.391 2.018 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)C1CCC1 ZINC000399043736 364749434 /nfs/dbraw/zinc/74/94/34/364749434.db2.gz RONIFBBQBSPRLH-UHTWSYAYSA-N 2 1 210.365 2.295 20 0 BEADMP CC[C@@H]([NH2+]CCc1ccc(C)o1)[C@@H]1CCC[NH2+]1 ZINC000566091057 364713878 /nfs/dbraw/zinc/71/38/78/364713878.db2.gz YTNADXFNDZBMRT-KGLIPLIRSA-N 2 1 236.359 2.251 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000299922109 364821537 /nfs/dbraw/zinc/82/15/37/364821537.db2.gz RQQGFRNYPYSNIW-CBBWQLFWSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000299922109 364821544 /nfs/dbraw/zinc/82/15/44/364821544.db2.gz RQQGFRNYPYSNIW-CBBWQLFWSA-N 2 1 236.403 2.497 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(C)CC2)[C@@H](C)C1 ZINC000573633584 364880675 /nfs/dbraw/zinc/88/06/75/364880675.db2.gz HDMHDWVVFURXKB-QWHCGFSZSA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(C)CC2)[C@@H](C)C1 ZINC000573633584 364880678 /nfs/dbraw/zinc/88/06/78/364880678.db2.gz HDMHDWVVFURXKB-QWHCGFSZSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)C(C)C ZINC000168322837 364910668 /nfs/dbraw/zinc/91/06/68/364910668.db2.gz GRLRTTIDAYGFMM-CYBMUJFWSA-N 2 1 242.407 2.121 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@H](C1CC1)C1CCC1 ZINC000573794978 364916331 /nfs/dbraw/zinc/91/63/31/364916331.db2.gz ODFJUYMIKXPQIT-AWEZNQCLSA-N 2 1 233.359 2.131 20 0 BEADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1cccc(O)c1 ZINC000574440833 365062276 /nfs/dbraw/zinc/06/22/76/365062276.db2.gz HETHLGBCUGEBAS-GFCCVEGCSA-N 2 1 236.359 2.431 20 0 BEADMP CC[C@H](C)[N@@H+](C)CCCc1cncn1C ZINC000574288294 365029093 /nfs/dbraw/zinc/02/90/93/365029093.db2.gz GTMYPFRKLPIUGS-NSHDSACASA-N 2 1 209.337 2.083 20 0 BEADMP CC[C@H](C)[N@H+](C)CCCc1c[nH+]cn1C ZINC000574288294 365029101 /nfs/dbraw/zinc/02/91/01/365029101.db2.gz GTMYPFRKLPIUGS-NSHDSACASA-N 2 1 209.337 2.083 20 0 BEADMP CC[C@H](C)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000574288294 365029104 /nfs/dbraw/zinc/02/91/04/365029104.db2.gz GTMYPFRKLPIUGS-NSHDSACASA-N 2 1 209.337 2.083 20 0 BEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000579580650 366886740 /nfs/dbraw/zinc/88/67/40/366886740.db2.gz OFOURUSJGMJLPC-JTQLQIEISA-N 2 1 241.766 2.385 20 0 BEADMP Cc1ccc(CCC[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cn1 ZINC000575759816 365356018 /nfs/dbraw/zinc/35/60/18/365356018.db2.gz WAGCUYXBEXTTHE-ZFWWWQNUSA-N 2 1 247.386 2.134 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC=C(C)C)C1 ZINC000173916477 365454975 /nfs/dbraw/zinc/45/49/75/365454975.db2.gz XDUFLPGFWCCERB-ZDUSSCGKSA-N 2 1 210.365 2.226 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000173907174 365455374 /nfs/dbraw/zinc/45/53/74/365455374.db2.gz WTSLFYMGLGTEMF-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1c[nH+]ccc1N ZINC000579822513 367023692 /nfs/dbraw/zinc/02/36/92/367023692.db2.gz XNLZXMSECIRUHK-USWWRNFRSA-N 2 1 231.343 2.191 20 0 BEADMP CCN1CCC([N@H+](C)Cc2ccncc2C)CC1 ZINC000580814201 367173978 /nfs/dbraw/zinc/17/39/78/367173978.db2.gz UCTIWHSYURWOBB-UHFFFAOYSA-N 2 1 247.386 2.306 20 0 BEADMP CCN1CCC([N@@H+](C)Cc2ccncc2C)CC1 ZINC000580814201 367173987 /nfs/dbraw/zinc/17/39/87/367173987.db2.gz UCTIWHSYURWOBB-UHFFFAOYSA-N 2 1 247.386 2.306 20 0 BEADMP CC[NH2+]CCC[NH2+][C@H](C)c1cnccc1C ZINC000580946202 367213098 /nfs/dbraw/zinc/21/30/98/367213098.db2.gz KQEFEAPEHMZXPP-GFCCVEGCSA-N 2 1 221.348 2.040 20 0 BEADMP C(=C\c1ccccc1)\C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000381082599 367348893 /nfs/dbraw/zinc/34/88/93/367348893.db2.gz IUNQKCWCRVIKKQ-OUOZUETKSA-N 2 1 242.366 2.385 20 0 BEADMP C(=C\c1ccccc1)\C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000381082599 367348896 /nfs/dbraw/zinc/34/88/96/367348896.db2.gz IUNQKCWCRVIKKQ-OUOZUETKSA-N 2 1 242.366 2.385 20 0 BEADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000381128747 367352984 /nfs/dbraw/zinc/35/29/84/367352984.db2.gz KCKMBZCRXPGSDU-HZSPNIEDSA-N 2 1 224.392 2.352 20 0 BEADMP Cc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1F ZINC000581200486 367293097 /nfs/dbraw/zinc/29/30/97/367293097.db2.gz QQGWVTGLQQCPFO-UHFFFAOYSA-N 2 1 236.334 2.320 20 0 BEADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000380806857 367306221 /nfs/dbraw/zinc/30/62/21/367306221.db2.gz QNEYGBMOYSWATM-AGIUHOORSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)[C@@H](C[NH2+]CC1(C)CC1)[NH+]1CCCC1 ZINC000381129716 367355374 /nfs/dbraw/zinc/35/53/74/367355374.db2.gz KJLRKGABMDGQGG-CYBMUJFWSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)CC[N@H+]1C ZINC000382184838 367494629 /nfs/dbraw/zinc/49/46/29/367494629.db2.gz AWEVJURBBLLHBG-DEQVHRJGSA-N 2 1 222.376 2.105 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)CC[N@H+]1C ZINC000382184840 367495071 /nfs/dbraw/zinc/49/50/71/367495071.db2.gz AWEVJURBBLLHBG-SAXRGWBVSA-N 2 1 222.376 2.105 20 0 BEADMP CCCOc1ccc(C[NH2+]C[C@H]([NH3+])CC)cc1 ZINC000581476227 367509585 /nfs/dbraw/zinc/50/95/85/367509585.db2.gz LQHPTDYMJXRSDJ-CYBMUJFWSA-N 2 1 236.359 2.302 20 0 BEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CC(C)(C)C1 ZINC000382440717 367523458 /nfs/dbraw/zinc/52/34/58/367523458.db2.gz TYYBCXBXNXTOOW-CMPLNLGQSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CC(C)(C)C1 ZINC000382440717 367523463 /nfs/dbraw/zinc/52/34/63/367523463.db2.gz TYYBCXBXNXTOOW-CMPLNLGQSA-N 2 1 210.365 2.105 20 0 BEADMP CCC[C@@H](C)[C@H]1CCC[N@H+]1CCC[NH2+]C ZINC000581612320 367634534 /nfs/dbraw/zinc/63/45/34/367634534.db2.gz LVGZUFLGDTUUPD-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP C[N@@H+](Cc1ccnc2ccccc12)C1CC([NH3+])C1 ZINC000384849230 367743226 /nfs/dbraw/zinc/74/32/26/367743226.db2.gz BCUUKTCLGNFELS-UHFFFAOYSA-N 2 1 241.338 2.156 20 0 BEADMP CC/C=C/C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000384889884 367752399 /nfs/dbraw/zinc/75/23/99/367752399.db2.gz SZQBPCLDVKAEIE-HNFMAKEJSA-N 2 1 208.349 2.169 20 0 BEADMP C[C@@H]1C[N@@H+](CCCc2cncn2C)[C@@H](C)[C@H]1C ZINC000581734851 367798203 /nfs/dbraw/zinc/79/82/03/367798203.db2.gz YVILPUWFWRHLLO-AGIUHOORSA-N 2 1 235.375 2.329 20 0 BEADMP C[C@@H](C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000385410141 367826250 /nfs/dbraw/zinc/82/62/50/367826250.db2.gz YUYBDAMMQFDELY-CFVMTHIKSA-N 2 1 230.355 2.084 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000385410141 367826252 /nfs/dbraw/zinc/82/62/52/367826252.db2.gz YUYBDAMMQFDELY-CFVMTHIKSA-N 2 1 230.355 2.084 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CCSCC[C@H]2C)CC[NH2+]1 ZINC000385411263 367826579 /nfs/dbraw/zinc/82/65/79/367826579.db2.gz UVBSIKWXLRAHRU-UPJWGTAASA-N 2 1 242.432 2.202 20 0 BEADMP CC[N@@H+](CCC1CC1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000385489132 367835026 /nfs/dbraw/zinc/83/50/26/367835026.db2.gz DXBFFHYIWKLTDL-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCSCC[C@@H]1C ZINC000385506794 367838837 /nfs/dbraw/zinc/83/88/37/367838837.db2.gz MKLRRJFWRCSFEE-RYUDHWBXSA-N 2 1 230.421 2.187 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCSCC[C@@H]1C ZINC000385506794 367838840 /nfs/dbraw/zinc/83/88/40/367838840.db2.gz MKLRRJFWRCSFEE-RYUDHWBXSA-N 2 1 230.421 2.187 20 0 BEADMP C[C@@H]([N@@H+](C)CC[C@H]1CC[NH2+]C1)C1(C)CC1 ZINC000385524041 367840191 /nfs/dbraw/zinc/84/01/91/367840191.db2.gz WANLMNUJDXXFEQ-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]([NH2+][C@H]1CCCSC1)[C@H]1CCCC[NH2+]1 ZINC000386548916 367991134 /nfs/dbraw/zinc/99/11/34/367991134.db2.gz GMCNBOHMFLGPMO-SDDRHHMPSA-N 2 1 228.405 2.002 20 0 BEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000059868982 368534586 /nfs/dbraw/zinc/53/45/86/368534586.db2.gz MRWADXJLYWZRTH-SCRDCRAPSA-N 2 1 218.344 2.417 20 0 BEADMP Cc1occc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657089 368998128 /nfs/dbraw/zinc/99/81/28/368998128.db2.gz JMGIGJWNFJEXDN-CYBMUJFWSA-N 2 1 236.359 2.410 20 0 BEADMP Cc1occc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623657089 368998129 /nfs/dbraw/zinc/99/81/29/368998129.db2.gz JMGIGJWNFJEXDN-CYBMUJFWSA-N 2 1 236.359 2.410 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@H]1C[C@H]1C ZINC000623657271 368998194 /nfs/dbraw/zinc/99/81/94/368998194.db2.gz MNZNXGOUYWTIMB-RFGFWPKPSA-N 2 1 224.392 2.352 20 0 BEADMP [NH3+]C[C@H]([NH2+]C[C@@H]1CCCCO1)C1CCCCC1 ZINC000631826968 368989449 /nfs/dbraw/zinc/98/94/49/368989449.db2.gz BFKFBGTVEYKQDQ-KBPBESRZSA-N 2 1 240.391 2.053 20 0 BEADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000623655209 368989722 /nfs/dbraw/zinc/98/97/22/368989722.db2.gz RGJZSLBXACFBLE-CQSZACIVSA-N 2 1 248.370 2.214 20 0 BEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000623655209 368989723 /nfs/dbraw/zinc/98/97/23/368989723.db2.gz RGJZSLBXACFBLE-CQSZACIVSA-N 2 1 248.370 2.214 20 0 BEADMP [NH3+]C[C@H]([NH2+]C[C@H]1CCCCO1)C1CCCCC1 ZINC000631826969 368990426 /nfs/dbraw/zinc/99/04/26/368990426.db2.gz BFKFBGTVEYKQDQ-KGLIPLIRSA-N 2 1 240.391 2.053 20 0 BEADMP Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)nc1 ZINC000623656501 368992854 /nfs/dbraw/zinc/99/28/54/368992854.db2.gz VPYMAQZGBTWMES-AWEZNQCLSA-N 2 1 247.386 2.212 20 0 BEADMP Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)nc1 ZINC000623656501 368992860 /nfs/dbraw/zinc/99/28/60/368992860.db2.gz VPYMAQZGBTWMES-AWEZNQCLSA-N 2 1 247.386 2.212 20 0 BEADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656344 368993241 /nfs/dbraw/zinc/99/32/41/368993241.db2.gz SFHFTFUTXJPCJT-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1ccoc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656031 368993739 /nfs/dbraw/zinc/99/37/39/368993739.db2.gz LKMITRRJRCQQTJ-CYBMUJFWSA-N 2 1 236.359 2.410 20 0 BEADMP Cc1ccoc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623656031 368993746 /nfs/dbraw/zinc/99/37/46/368993746.db2.gz LKMITRRJRCQQTJ-CYBMUJFWSA-N 2 1 236.359 2.410 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(C)c1 ZINC000631837283 369096077 /nfs/dbraw/zinc/09/60/77/369096077.db2.gz QPGYCBVYQTXIHP-UKRRQHHQSA-N 2 1 232.371 2.330 20 0 BEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000459557389 203301332 /nfs/dbraw/zinc/30/13/32/203301332.db2.gz CUVJUQTZDAKDFL-WFASDCNBSA-N 2 1 234.387 2.249 20 0 BEADMP Cc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)o1 ZINC000459732738 203344942 /nfs/dbraw/zinc/34/49/42/203344942.db2.gz MTTNCEFQVMZDPM-ZDUSSCGKSA-N 2 1 236.359 2.410 20 0 BEADMP CC1(C)CC(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)C1 ZINC000631889442 370974326 /nfs/dbraw/zinc/97/43/26/370974326.db2.gz GHLORJRQVBYHBA-KBPBESRZSA-N 2 1 236.403 2.497 20 0 BEADMP CC1(C)CC(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)C1 ZINC000631889442 370974333 /nfs/dbraw/zinc/97/43/33/370974333.db2.gz GHLORJRQVBYHBA-KBPBESRZSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459776122 203366309 /nfs/dbraw/zinc/36/63/09/203366309.db2.gz KCANJWWJJMKGRC-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459742364 203351972 /nfs/dbraw/zinc/35/19/72/203351972.db2.gz VVIVBYGCKLAKNH-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)C1CC1 ZINC000165292812 203382896 /nfs/dbraw/zinc/38/28/96/203382896.db2.gz JJFHATSRHSITFY-GHMZBOCLSA-N 2 1 221.348 2.216 20 0 BEADMP C[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C1CCCC1 ZINC000166319455 203387684 /nfs/dbraw/zinc/38/76/84/203387684.db2.gz WZTGERVXOBRHLU-SMDDNHRTSA-N 2 1 224.392 2.495 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+](CCCCC(F)(F)F)C1 ZINC000567893427 326278042 /nfs/dbraw/zinc/27/80/42/326278042.db2.gz WCSHPSANRNMOMK-SNVBAGLBSA-N 2 1 238.297 2.390 20 0 BEADMP CC[C@H](C)[C@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000314656958 326305430 /nfs/dbraw/zinc/30/54/30/326305430.db2.gz HPUHKLQUYZHDCY-RYUDHWBXSA-N 2 1 223.364 2.377 20 0 BEADMP C[C@@H]1CCC[C@H]([N@@H+](C)CC[C@H]2CC[NH2+]C2)C1 ZINC000251724761 369913376 /nfs/dbraw/zinc/91/33/76/369913376.db2.gz IRNIRGJUUPXTHA-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000253095950 370148651 /nfs/dbraw/zinc/14/86/51/370148651.db2.gz LESAHKZIPUPBGK-RFGFWPKPSA-N 2 1 224.392 2.352 20 0 BEADMP FC1(F)C[C@@H]1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000621377189 370319150 /nfs/dbraw/zinc/31/91/50/370319150.db2.gz RLPVRLHYEACPML-SDDRHHMPSA-N 2 1 244.329 2.248 20 0 BEADMP CC1CC(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000621384333 370328081 /nfs/dbraw/zinc/32/80/81/370328081.db2.gz CCIHNBZXGNMDBN-CLRIEMFWSA-N 2 1 222.376 2.249 20 0 BEADMP Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])ccn1 ZINC000621776325 370524578 /nfs/dbraw/zinc/52/45/78/370524578.db2.gz JCDVDBSOLBTJKP-DOMZBBRYSA-N 2 1 247.386 2.339 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000621777315 370526098 /nfs/dbraw/zinc/52/60/98/370526098.db2.gz APSCFRXEFLKXFW-CABCVRRESA-N 2 1 230.355 2.308 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000621777315 370526103 /nfs/dbraw/zinc/52/61/03/370526103.db2.gz APSCFRXEFLKXFW-CABCVRRESA-N 2 1 230.355 2.308 20 0 BEADMP C1=CCC(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000631890515 371047233 /nfs/dbraw/zinc/04/72/33/371047233.db2.gz QBFAZOGMNLVBMH-ZIAGYGMSSA-N 2 1 220.360 2.027 20 0 BEADMP C1=CCC(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000631890515 371047237 /nfs/dbraw/zinc/04/72/37/371047237.db2.gz QBFAZOGMNLVBMH-ZIAGYGMSSA-N 2 1 220.360 2.027 20 0 BEADMP C1=CCC(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)C1 ZINC000631890513 371047356 /nfs/dbraw/zinc/04/73/56/371047356.db2.gz QBFAZOGMNLVBMH-UONOGXRCSA-N 2 1 220.360 2.027 20 0 BEADMP C1=CCC(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)C1 ZINC000631890513 371047361 /nfs/dbraw/zinc/04/73/61/371047361.db2.gz QBFAZOGMNLVBMH-UONOGXRCSA-N 2 1 220.360 2.027 20 0 BEADMP CCC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120035 371319319 /nfs/dbraw/zinc/31/93/19/371319319.db2.gz QEFGPVZCTRNONB-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP CC(C)[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120448 371321838 /nfs/dbraw/zinc/32/18/38/371321838.db2.gz ZKEXPWFGPDJRIO-STQMWFEESA-N 2 1 212.381 2.352 20 0 BEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCC2(C)C)C1 ZINC000624123395 371324873 /nfs/dbraw/zinc/32/48/73/371324873.db2.gz LCPHBRXYOJQBIG-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)(C)C1 ZINC000162075547 371608112 /nfs/dbraw/zinc/60/81/12/371608112.db2.gz UPUJFSQYKDLGOM-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC(C)(C)C1 ZINC000162075547 371608118 /nfs/dbraw/zinc/60/81/18/371608118.db2.gz UPUJFSQYKDLGOM-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC(C)(C)C1 ZINC000162075547 371608123 /nfs/dbraw/zinc/60/81/23/371608123.db2.gz UPUJFSQYKDLGOM-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@@H](C[NH2+]CC(C)(C)C)[NH+]1CCCC1 ZINC000163789563 372054545 /nfs/dbraw/zinc/05/45/45/372054545.db2.gz FKTQMHIXMUUEAO-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP Cc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(F)c1 ZINC000631108444 372203314 /nfs/dbraw/zinc/20/33/14/372203314.db2.gz PEQSCSWUOLHFFS-UHFFFAOYSA-N 2 1 248.345 2.486 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)F)[C@@H]2CCC[C@H]21 ZINC000631665963 372491268 /nfs/dbraw/zinc/49/12/68/372491268.db2.gz ZWTNVFBMOAAQNR-SDDRHHMPSA-N 2 1 228.355 2.197 20 0 BEADMP Cc1cc(C)c(C[N@H+](C)CC(C)(C)C[NH3+])c(C)n1 ZINC000631822192 372598963 /nfs/dbraw/zinc/59/89/63/372598963.db2.gz WAVTUSWFKDBUBI-UHFFFAOYSA-N 2 1 249.402 2.424 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c(C)n1 ZINC000631822440 372599339 /nfs/dbraw/zinc/59/93/39/372599339.db2.gz DETYDOCUIBQAKA-JSGCOSHPSA-N 2 1 247.386 2.176 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@@H](C[NH3+])C(C)(C)C)c(C)n1 ZINC000631827352 372607490 /nfs/dbraw/zinc/60/74/90/372607490.db2.gz MJCLDPMFVUFDSS-AWEZNQCLSA-N 2 1 249.402 2.470 20 0 BEADMP CCC(C)(C)CC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837985 372607796 /nfs/dbraw/zinc/60/77/96/372607796.db2.gz YLUVTZHTSBIQDK-VXGBXAGGSA-N 2 1 212.381 2.339 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c(C)n1 ZINC000631829250 372610696 /nfs/dbraw/zinc/61/06/96/372610696.db2.gz LQLUDIVLBBFREJ-HUUCEWRRSA-N 2 1 247.386 2.366 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837121 372628028 /nfs/dbraw/zinc/62/80/28/372628028.db2.gz NBLOHWQOODGQFJ-GMTAPVOTSA-N 2 1 234.334 2.194 20 0 BEADMP CCc1cccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631837950 372630258 /nfs/dbraw/zinc/63/02/58/372630258.db2.gz HMWBIJGXNDHXGY-SWLSCSKDSA-N 2 1 232.371 2.276 20 0 BEADMP Cc1ccccc1CCC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840293 372636813 /nfs/dbraw/zinc/63/68/13/372636813.db2.gz RFMJLNFFCMOCDE-GDBMZVCRSA-N 2 1 246.398 2.454 20 0 BEADMP Cc1ccccc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631842688 372640828 /nfs/dbraw/zinc/64/08/28/372640828.db2.gz DNOHWCIEPPAUDF-GXTWGEPZSA-N 2 1 218.344 2.022 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000631845161 372642728 /nfs/dbraw/zinc/64/27/28/372642728.db2.gz UVCIDVCTSUUJOK-CMPLNLGQSA-N 2 1 238.762 2.367 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000631872412 372673600 /nfs/dbraw/zinc/67/36/00/372673600.db2.gz AIPXEVPYANMVEH-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP Fc1ccccc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631884463 372680094 /nfs/dbraw/zinc/68/00/94/372680094.db2.gz JVIDHJCGAVCNIU-SWLSCSKDSA-N 2 1 248.345 2.400 20 0 BEADMP Fc1ccccc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631884463 372680100 /nfs/dbraw/zinc/68/01/00/372680100.db2.gz JVIDHJCGAVCNIU-SWLSCSKDSA-N 2 1 248.345 2.400 20 0 BEADMP CC(C)[C@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000084126959 205794584 /nfs/dbraw/zinc/79/45/84/205794584.db2.gz DGFYXAXNYDSJPT-CHWSQXEVSA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCF)[C@@H](C)C1 ZINC000309063944 170013243 /nfs/dbraw/zinc/01/32/43/170013243.db2.gz YHLQEGPPODKSSE-NWDGAFQWSA-N 2 1 216.344 2.056 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000246575495 374276265 /nfs/dbraw/zinc/27/62/65/374276265.db2.gz CEFHIKARRVAVCP-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000246575495 374276274 /nfs/dbraw/zinc/27/62/74/374276274.db2.gz CEFHIKARRVAVCP-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000246575495 374276279 /nfs/dbraw/zinc/27/62/79/374276279.db2.gz CEFHIKARRVAVCP-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP CC(C)[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000168070602 206148211 /nfs/dbraw/zinc/14/82/11/206148211.db2.gz ZJMYMCNKXRGTBL-AGIUHOORSA-N 2 1 212.381 2.208 20 0 BEADMP CCC[N@H+](C)CCCCn1cc[nH+]c1C ZINC000120418853 169076004 /nfs/dbraw/zinc/07/60/04/169076004.db2.gz CXTNOZAYOSCGLH-UHFFFAOYSA-N 2 1 209.337 2.314 20 0 BEADMP CCC[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000120418853 169076006 /nfs/dbraw/zinc/07/60/06/169076006.db2.gz CXTNOZAYOSCGLH-UHFFFAOYSA-N 2 1 209.337 2.314 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]CC(C)C ZINC000336648472 169124632 /nfs/dbraw/zinc/12/46/32/169124632.db2.gz GOSUEWCKKFWDIO-GFCCVEGCSA-N 2 1 200.370 2.352 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]CC(C)C ZINC000336648472 169124634 /nfs/dbraw/zinc/12/46/34/169124634.db2.gz GOSUEWCKKFWDIO-GFCCVEGCSA-N 2 1 200.370 2.352 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000353084611 169127863 /nfs/dbraw/zinc/12/78/63/169127863.db2.gz URDZZDBQTPTXDK-IHRRRGAJSA-N 2 1 242.407 2.264 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000353084611 169127864 /nfs/dbraw/zinc/12/78/64/169127864.db2.gz URDZZDBQTPTXDK-IHRRRGAJSA-N 2 1 242.407 2.264 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000353491089 169128157 /nfs/dbraw/zinc/12/81/57/169128157.db2.gz RNBUGZRFWBLHMN-MELADBBJSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000353491089 169128160 /nfs/dbraw/zinc/12/81/60/169128160.db2.gz RNBUGZRFWBLHMN-MELADBBJSA-N 2 1 242.407 2.121 20 0 BEADMP Oc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868641 183270532 /nfs/dbraw/zinc/27/05/32/183270532.db2.gz YBWMVOTYQJDMMG-ZIAGYGMSSA-N 2 1 246.354 2.109 20 0 BEADMP c1c[nH]c([C@@H]2CCC[N@@H+](Cc3nccs3)C2)n1 ZINC000269708835 183328200 /nfs/dbraw/zinc/32/82/00/183328200.db2.gz OKZNCYNWSDQZBA-SNVBAGLBSA-N 2 1 248.355 2.246 20 0 BEADMP c1c[nH]c([C@@H]2CCC[N@H+](Cc3nccs3)C2)n1 ZINC000269708835 183328201 /nfs/dbraw/zinc/32/82/01/183328201.db2.gz OKZNCYNWSDQZBA-SNVBAGLBSA-N 2 1 248.355 2.246 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](C)CC ZINC000336762284 169196253 /nfs/dbraw/zinc/19/62/53/169196253.db2.gz NOZKKBWXSZPWLW-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](C)CC ZINC000336762284 169196255 /nfs/dbraw/zinc/19/62/55/169196255.db2.gz NOZKKBWXSZPWLW-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOCC1 ZINC000353987297 169197212 /nfs/dbraw/zinc/19/72/12/169197212.db2.gz OPLFIQLDLHKNME-ZIAGYGMSSA-N 2 1 240.391 2.020 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOCC1 ZINC000353987297 169197213 /nfs/dbraw/zinc/19/72/13/169197213.db2.gz OPLFIQLDLHKNME-ZIAGYGMSSA-N 2 1 240.391 2.020 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCSCC1 ZINC000309909865 169200252 /nfs/dbraw/zinc/20/02/52/169200252.db2.gz LZLMNKYJGWNPOY-ZDUSSCGKSA-N 2 1 242.432 2.346 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCSCC1 ZINC000309909865 169200254 /nfs/dbraw/zinc/20/02/54/169200254.db2.gz LZLMNKYJGWNPOY-ZDUSSCGKSA-N 2 1 242.432 2.346 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CC1 ZINC000309046034 169200279 /nfs/dbraw/zinc/20/02/79/169200279.db2.gz OPRAZUYDPKCOMN-AAEUAGOBSA-N 2 1 210.365 2.249 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CC1 ZINC000309046034 169200281 /nfs/dbraw/zinc/20/02/81/169200281.db2.gz OPRAZUYDPKCOMN-AAEUAGOBSA-N 2 1 210.365 2.249 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCCC2)C1 ZINC000076453760 169206425 /nfs/dbraw/zinc/20/64/25/169206425.db2.gz BUPFBXZFKMQSLA-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccnc2)C1 ZINC000092740495 169207109 /nfs/dbraw/zinc/20/71/09/169207109.db2.gz RJQWZKLVQPNWJF-KBPBESRZSA-N 2 1 247.386 2.464 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccnc2)C1 ZINC000092740495 169207111 /nfs/dbraw/zinc/20/71/11/169207111.db2.gz RJQWZKLVQPNWJF-KBPBESRZSA-N 2 1 247.386 2.464 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000309942950 169207641 /nfs/dbraw/zinc/20/76/41/169207641.db2.gz CGXZLYTYHQSSOW-STQMWFEESA-N 2 1 242.432 2.061 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)C1 ZINC000309976871 169209059 /nfs/dbraw/zinc/20/90/59/169209059.db2.gz UBJWWFHJAFZJFP-AAVRWANBSA-N 2 1 224.392 2.352 20 0 BEADMP c1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000037408352 183350642 /nfs/dbraw/zinc/35/06/42/183350642.db2.gz ZSTOYRSCDSVWHW-NSHDSACASA-N 2 1 236.384 2.322 20 0 BEADMP c1cc2c(s1)CC[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000020072117 183373778 /nfs/dbraw/zinc/37/37/78/183373778.db2.gz IWXVBAGKFKFNLC-NSHDSACASA-N 2 1 236.384 2.106 20 0 BEADMP c1cc2c(s1)CC[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000020072117 183373780 /nfs/dbraw/zinc/37/37/80/183373780.db2.gz IWXVBAGKFKFNLC-NSHDSACASA-N 2 1 236.384 2.106 20 0 BEADMP c1ccc(CCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000336794652 183391176 /nfs/dbraw/zinc/39/11/76/183391176.db2.gz DPDRBMHDXUSNPD-HZPDHXFCSA-N 2 1 244.382 2.303 20 0 BEADMP CCC[C@@H](CC)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000309189369 169377923 /nfs/dbraw/zinc/37/79/23/169377923.db2.gz PLTSJPCQCDBZMA-CYBMUJFWSA-N 2 1 210.365 2.417 20 0 BEADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)CC(C)C ZINC000179308093 134319818 /nfs/dbraw/zinc/31/98/18/134319818.db2.gz TUMVKMUVFGPVMH-CYBMUJFWSA-N 2 1 212.381 2.449 20 0 BEADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)CC(C)C ZINC000179308093 134319819 /nfs/dbraw/zinc/31/98/19/134319819.db2.gz TUMVKMUVFGPVMH-CYBMUJFWSA-N 2 1 212.381 2.449 20 0 BEADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)CC(C)C ZINC000179308093 134319820 /nfs/dbraw/zinc/31/98/20/134319820.db2.gz TUMVKMUVFGPVMH-CYBMUJFWSA-N 2 1 212.381 2.449 20 0 BEADMP CC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001644424667 1172558209 /nfs/dbraw/zinc/55/82/09/1172558209.db2.gz KBTHLONQZIWRNG-JKSUJKDBSA-N 2 1 244.382 2.460 20 0 BEADMP CC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001644424667 1172558212 /nfs/dbraw/zinc/55/82/12/1172558212.db2.gz KBTHLONQZIWRNG-JKSUJKDBSA-N 2 1 244.382 2.460 20 0 BEADMP CC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001644424667 1172558215 /nfs/dbraw/zinc/55/82/15/1172558215.db2.gz KBTHLONQZIWRNG-JKSUJKDBSA-N 2 1 244.382 2.460 20 0 BEADMP CC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001644424667 1172558219 /nfs/dbraw/zinc/55/82/19/1172558219.db2.gz KBTHLONQZIWRNG-JKSUJKDBSA-N 2 1 244.382 2.460 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@@H]1CCSC1 ZINC000226373785 134364659 /nfs/dbraw/zinc/36/46/59/134364659.db2.gz MRUJVNFTMJHXSL-LBPRGKRZSA-N 2 1 230.421 2.059 20 0 BEADMP CC[C@@H](C)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000226431052 134365430 /nfs/dbraw/zinc/36/54/30/134365430.db2.gz YEMUEODYKFDVIA-VXGBXAGGSA-N 2 1 200.370 2.338 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000227374666 134379179 /nfs/dbraw/zinc/37/91/79/134379179.db2.gz KJSPOLHLNADXMV-MROQNXINSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000227374666 134379180 /nfs/dbraw/zinc/37/91/80/134379180.db2.gz KJSPOLHLNADXMV-MROQNXINSA-N 2 1 210.365 2.247 20 0 BEADMP CC1(C)CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000069793386 383846297 /nfs/dbraw/zinc/84/62/97/383846297.db2.gz JGXDINJKSMQFIX-UHFFFAOYSA-N 2 1 210.365 2.108 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000087771483 383865606 /nfs/dbraw/zinc/86/56/06/383865606.db2.gz PPPFFLUGQOLAIT-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)[C@H](C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000309285627 383832680 /nfs/dbraw/zinc/83/26/80/383832680.db2.gz URZKDSUOLHKYAU-GFCCVEGCSA-N 2 1 224.392 2.495 20 0 BEADMP CC[N@@H+](CCC1CC[NH2+]CC1)CC(C)C ZINC000037111666 383942132 /nfs/dbraw/zinc/94/21/32/383942132.db2.gz DKKRKFKBQLKSPL-UHFFFAOYSA-N 2 1 212.381 2.354 20 0 BEADMP CS[C@@H]1CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000336460631 383951783 /nfs/dbraw/zinc/95/17/83/383951783.db2.gz QFNGEKQFXOGUJB-CYBMUJFWSA-N 2 1 242.432 2.204 20 0 BEADMP C[C@H](Cc1cccs1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000643545146 384008143 /nfs/dbraw/zinc/00/81/43/384008143.db2.gz FUIVVCCBSVDPHV-NEPJUHHUSA-N 2 1 238.400 2.411 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000069627039 384051233 /nfs/dbraw/zinc/05/12/33/384051233.db2.gz ACIPRISQWRHXBB-PWSUYJOCSA-N 2 1 224.373 2.307 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cccnc1 ZINC000643547246 384033706 /nfs/dbraw/zinc/03/37/06/384033706.db2.gz BVWUSYHRGPYOLD-GXTWGEPZSA-N 2 1 245.370 2.407 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccccn1 ZINC000643547222 384033856 /nfs/dbraw/zinc/03/38/56/384033856.db2.gz BQLTWIGOUQOCRZ-CHWSQXEVSA-N 2 1 245.370 2.407 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(C)CCC1 ZINC000090220110 384036991 /nfs/dbraw/zinc/03/69/91/384036991.db2.gz PBUWGGJZFXEGCN-AGIUHOORSA-N 2 1 224.392 2.495 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000114478114 384039534 /nfs/dbraw/zinc/03/95/34/384039534.db2.gz LWPGKSJFJFIKBO-HNNXBMFYSA-N 2 1 232.371 2.113 20 0 BEADMP CC1(C)CC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000309406519 384106351 /nfs/dbraw/zinc/10/63/51/384106351.db2.gz HZMVGRIPZRRDDX-QWHCGFSZSA-N 2 1 222.376 2.391 20 0 BEADMP CC1(C)CC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000309406519 384106359 /nfs/dbraw/zinc/10/63/59/384106359.db2.gz HZMVGRIPZRRDDX-QWHCGFSZSA-N 2 1 222.376 2.391 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cn1 ZINC000334672246 384136942 /nfs/dbraw/zinc/13/69/42/384136942.db2.gz SUUYRHANNGLFBE-DZGCQCFKSA-N 2 1 247.386 2.271 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000334672246 384136950 /nfs/dbraw/zinc/13/69/50/384136950.db2.gz SUUYRHANNGLFBE-DZGCQCFKSA-N 2 1 247.386 2.271 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000334672246 384136958 /nfs/dbraw/zinc/13/69/58/384136958.db2.gz SUUYRHANNGLFBE-DZGCQCFKSA-N 2 1 247.386 2.271 20 0 BEADMP Cc1nc(C)c([C@@H](C)[N@H+](C)CCC[NH3+])s1 ZINC000227742669 134392423 /nfs/dbraw/zinc/39/24/23/134392423.db2.gz BNWYPJHPXAICRJ-SECBINFHSA-N 2 1 227.377 2.102 20 0 BEADMP Cc1nc(C)c([C@@H](C)[N@@H+](C)CCC[NH3+])s1 ZINC000227742669 134392425 /nfs/dbraw/zinc/39/24/25/134392425.db2.gz BNWYPJHPXAICRJ-SECBINFHSA-N 2 1 227.377 2.102 20 0 BEADMP CC[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)CC[C@@H]1[NH3+] ZINC000302380966 384156307 /nfs/dbraw/zinc/15/63/07/384156307.db2.gz IGZVMKUIJDWMAZ-TUAOUCFPSA-N 2 1 246.345 2.481 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+]C1CCC2(CC2)CC1 ZINC000569529754 384179111 /nfs/dbraw/zinc/17/91/11/384179111.db2.gz WZUOEAZHXVCOTL-UHFFFAOYSA-N 2 1 233.359 2.275 20 0 BEADMP Cc1cccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000278789217 384196082 /nfs/dbraw/zinc/19/60/82/384196082.db2.gz QESTUAVNMCWYTK-YHWZYXNKSA-N 2 1 231.343 2.427 20 0 BEADMP Cc1cccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[nH+]1 ZINC000278789217 384196090 /nfs/dbraw/zinc/19/60/90/384196090.db2.gz QESTUAVNMCWYTK-YHWZYXNKSA-N 2 1 231.343 2.427 20 0 BEADMP Cc1cccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[nH+]1 ZINC000278789217 384196094 /nfs/dbraw/zinc/19/60/94/384196094.db2.gz QESTUAVNMCWYTK-YHWZYXNKSA-N 2 1 231.343 2.427 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@@H+]1CCC1CCCCC1 ZINC000133240223 384236392 /nfs/dbraw/zinc/23/63/92/384236392.db2.gz FDBOITAWAUGMJH-ZDUSSCGKSA-N 2 1 210.365 2.380 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@H+]1CCC1CCCCC1 ZINC000133240223 384236396 /nfs/dbraw/zinc/23/63/96/384236396.db2.gz FDBOITAWAUGMJH-ZDUSSCGKSA-N 2 1 210.365 2.380 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CC(F)F ZINC000647318595 384247409 /nfs/dbraw/zinc/24/74/09/384247409.db2.gz UKDHTQSXOGFTNU-GARJFASQSA-N 2 1 234.334 2.350 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOC(C)(C)C)C1 ZINC000173885882 384276474 /nfs/dbraw/zinc/27/64/74/384276474.db2.gz QKIHWAIPDHKUJP-ZDUSSCGKSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOC(C)(C)C)C1 ZINC000173885882 384276478 /nfs/dbraw/zinc/27/64/78/384276478.db2.gz QKIHWAIPDHKUJP-ZDUSSCGKSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOC(C)(C)C)C1 ZINC000173885882 384276483 /nfs/dbraw/zinc/27/64/83/384276483.db2.gz QKIHWAIPDHKUJP-ZDUSSCGKSA-N 2 1 242.407 2.075 20 0 BEADMP CC(C)CCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000119518347 384280850 /nfs/dbraw/zinc/28/08/50/384280850.db2.gz XZHWNNRZIWAMPW-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@H](C)C[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000300056939 384285440 /nfs/dbraw/zinc/28/54/40/384285440.db2.gz WSMPAVRNPXUQOV-AVGNSLFASA-N 2 1 212.381 2.352 20 0 BEADMP CSCC[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000119975352 384321501 /nfs/dbraw/zinc/32/15/01/384321501.db2.gz PLYQLPCKNDMLQN-NEPJUHHUSA-N 2 1 239.388 2.129 20 0 BEADMP CCSCC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000173919712 384289746 /nfs/dbraw/zinc/28/97/46/384289746.db2.gz PUTASHABFMLWHN-LBPRGKRZSA-N 2 1 230.421 2.013 20 0 BEADMP CCSCC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000173919712 384289757 /nfs/dbraw/zinc/28/97/57/384289757.db2.gz PUTASHABFMLWHN-LBPRGKRZSA-N 2 1 230.421 2.013 20 0 BEADMP CC(C)OCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000173962332 384292495 /nfs/dbraw/zinc/29/24/95/384292495.db2.gz ISWFCMWPDRDPHW-CQSZACIVSA-N 2 1 242.407 2.218 20 0 BEADMP CC(C)OCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000173962332 384292498 /nfs/dbraw/zinc/29/24/98/384292498.db2.gz ISWFCMWPDRDPHW-CQSZACIVSA-N 2 1 242.407 2.218 20 0 BEADMP CC(C)OCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000173962332 384292503 /nfs/dbraw/zinc/29/25/03/384292503.db2.gz ISWFCMWPDRDPHW-CQSZACIVSA-N 2 1 242.407 2.218 20 0 BEADMP CC(C)OCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000173962332 384292508 /nfs/dbraw/zinc/29/25/08/384292508.db2.gz ISWFCMWPDRDPHW-CQSZACIVSA-N 2 1 242.407 2.218 20 0 BEADMP CC[C@@H](C)C[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000083863417 384344433 /nfs/dbraw/zinc/34/44/33/384344433.db2.gz LLAPWQDVRWRQAM-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP Cc1csc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000335590670 384355017 /nfs/dbraw/zinc/35/50/17/384355017.db2.gz HKNBTPJABZZVMN-YPMHNXCESA-N 2 1 238.400 2.486 20 0 BEADMP Cc1csc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000335590670 384355021 /nfs/dbraw/zinc/35/50/21/384355021.db2.gz HKNBTPJABZZVMN-YPMHNXCESA-N 2 1 238.400 2.486 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CCOC(C)C)[C@H](C)C1 ZINC000174772700 384362127 /nfs/dbraw/zinc/36/21/27/384362127.db2.gz AVPLBWSBHOEOPB-KGLIPLIRSA-N 2 1 242.407 2.074 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOC(C)C)[C@H](C)C1 ZINC000174772700 384362132 /nfs/dbraw/zinc/36/21/32/384362132.db2.gz AVPLBWSBHOEOPB-KGLIPLIRSA-N 2 1 242.407 2.074 20 0 BEADMP CCSCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000174780926 384363796 /nfs/dbraw/zinc/36/37/96/384363796.db2.gz ZBRAWCMEJDBGLS-CHWSQXEVSA-N 2 1 244.448 2.402 20 0 BEADMP CCSCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000174780926 384363803 /nfs/dbraw/zinc/36/38/03/384363803.db2.gz ZBRAWCMEJDBGLS-CHWSQXEVSA-N 2 1 244.448 2.402 20 0 BEADMP CCSCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000174780926 384363806 /nfs/dbraw/zinc/36/38/06/384363806.db2.gz ZBRAWCMEJDBGLS-CHWSQXEVSA-N 2 1 244.448 2.402 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H]1CCSC1 ZINC000300232772 384331543 /nfs/dbraw/zinc/33/15/43/384331543.db2.gz NAULQEGMBFCWCL-NEPJUHHUSA-N 2 1 230.421 2.045 20 0 BEADMP CC[C@@H](C)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000335570589 384333566 /nfs/dbraw/zinc/33/35/66/384333566.db2.gz LPCHEWUWSANWQF-GFCCVEGCSA-N 2 1 210.365 2.108 20 0 BEADMP CC[C@@H](C)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335620314 384397814 /nfs/dbraw/zinc/39/78/14/384397814.db2.gz XHUTXWDLBGKIBQ-OLZOCXBDSA-N 2 1 210.365 2.108 20 0 BEADMP C[NH+]1CCC([NH2+]C2CC(C(C)(C)C)C2)CC1 ZINC000334232774 384399059 /nfs/dbraw/zinc/39/90/59/384399059.db2.gz NJQLKIMEUBVWCM-UHFFFAOYSA-N 2 1 224.392 2.495 20 0 BEADMP C[N@H+](CCC[NH3+])Cc1ccc(F)c(Cl)c1 ZINC000084511646 384402086 /nfs/dbraw/zinc/40/20/86/384402086.db2.gz PFPQNBHAVDMHOK-UHFFFAOYSA-N 2 1 230.714 2.260 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1ccc(F)c(Cl)c1 ZINC000084511646 384402091 /nfs/dbraw/zinc/40/20/91/384402091.db2.gz PFPQNBHAVDMHOK-UHFFFAOYSA-N 2 1 230.714 2.260 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000229060513 384415568 /nfs/dbraw/zinc/41/55/68/384415568.db2.gz CZTNHRXIRRGYBT-RYUDHWBXSA-N 2 1 236.334 2.303 20 0 BEADMP C[NH+]1CCC([NH2+]C2CC3(CCC3)C2)CC1 ZINC000335602277 384376180 /nfs/dbraw/zinc/37/61/80/384376180.db2.gz BHQVEYICSJCKHY-UHFFFAOYSA-N 2 1 208.349 2.003 20 0 BEADMP CC(C)C1([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000334195352 384387982 /nfs/dbraw/zinc/38/79/82/384387982.db2.gz KFACJIPGTSLVCL-QWHCGFSZSA-N 2 1 222.376 2.391 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@H]2CCCC(F)(F)C2)CC1 ZINC000305960118 384447486 /nfs/dbraw/zinc/44/74/86/384447486.db2.gz IPEYSRGBDWKFGD-NSHDSACASA-N 2 1 246.345 2.496 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000147771694 384451926 /nfs/dbraw/zinc/45/19/26/384451926.db2.gz SGEDPJKSXXHIOC-HNNXBMFYSA-N 2 1 248.345 2.497 20 0 BEADMP CC(C)[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036996814 384470827 /nfs/dbraw/zinc/47/08/27/384470827.db2.gz VVKIWVAPNZKHNN-RWMBFGLXSA-N 2 1 210.365 2.247 20 0 BEADMP CC(C)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036996814 384470837 /nfs/dbraw/zinc/47/08/37/384470837.db2.gz VVKIWVAPNZKHNN-RWMBFGLXSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCC3(CCC3)C2)CC[NH2+]1 ZINC000335664642 384478622 /nfs/dbraw/zinc/47/86/22/384478622.db2.gz VXCSALFNQBQIIH-CHWSQXEVSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccs1 ZINC000276631405 384493773 /nfs/dbraw/zinc/49/37/73/384493773.db2.gz JOEOVLQTTCFITI-JTQLQIEISA-N 2 1 235.356 2.375 20 0 BEADMP CC(C)([NH3+])C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000335044113 384513021 /nfs/dbraw/zinc/51/30/21/384513021.db2.gz SVGXSGFAVKIMIR-LBPRGKRZSA-N 2 1 222.307 2.140 20 0 BEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCF)C1 ZINC000151130693 384541976 /nfs/dbraw/zinc/54/19/76/384541976.db2.gz RYAJRMFMBYVXCL-LBPRGKRZSA-N 2 1 216.344 2.010 20 0 BEADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000305994992 384561154 /nfs/dbraw/zinc/56/11/54/384561154.db2.gz MQKYNOGSDZFYER-NWDGAFQWSA-N 2 1 246.345 2.483 20 0 BEADMP CCC(C)(C)CC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643066270 384578458 /nfs/dbraw/zinc/57/84/58/384578458.db2.gz MHZXYAJAPCAKDU-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643066270 384578462 /nfs/dbraw/zinc/57/84/62/384578462.db2.gz MHZXYAJAPCAKDU-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)(C)CCC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643065992 384580766 /nfs/dbraw/zinc/58/07/66/384580766.db2.gz JENPIFKLBFQMOD-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)(C)CCC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643065992 384580770 /nfs/dbraw/zinc/58/07/70/384580770.db2.gz JENPIFKLBFQMOD-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cccnc1 ZINC000020129015 384582884 /nfs/dbraw/zinc/58/28/84/384582884.db2.gz CFTUHXZHROPYMW-CYBMUJFWSA-N 2 1 233.359 2.218 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000355107500 384584192 /nfs/dbraw/zinc/58/41/92/384584192.db2.gz NSPOKMZBCCOVFJ-AVGNSLFASA-N 2 1 210.365 2.234 20 0 BEADMP CC(C)[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040621544 384588447 /nfs/dbraw/zinc/58/84/47/384588447.db2.gz AFXVSPFALRJPHW-OLZOCXBDSA-N 2 1 212.381 2.351 20 0 BEADMP Cc1cccc(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)n1 ZINC000423084780 384565036 /nfs/dbraw/zinc/56/50/36/384565036.db2.gz IWEXFWSDZBVNSL-DZGCQCFKSA-N 2 1 247.386 2.053 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@@H]1C[NH3+] ZINC000306053944 384567674 /nfs/dbraw/zinc/56/76/74/384567674.db2.gz WXWNKODGXHLZMY-WOPDTQHZSA-N 2 1 246.345 2.339 20 0 BEADMP C[NH+](C)CCC[NH2+]Cc1ccc2ncccc2c1 ZINC000020248257 384603104 /nfs/dbraw/zinc/60/31/04/384603104.db2.gz FMXTYMNLPOMWKE-UHFFFAOYSA-N 2 1 243.354 2.276 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000235846957 384632723 /nfs/dbraw/zinc/63/27/23/384632723.db2.gz TWKUKQTUFCUOBF-OAHLLOKOSA-N 2 1 232.371 2.474 20 0 BEADMP C[C@@H](CC[NH2+]Cc1cccn1C)[NH+]1CCCCC1 ZINC000184336275 384596286 /nfs/dbraw/zinc/59/62/86/384596286.db2.gz UDMYOMSANZALMP-AWEZNQCLSA-N 2 1 249.402 2.379 20 0 BEADMP c1ccc([C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000050599366 384636512 /nfs/dbraw/zinc/63/65/12/384636512.db2.gz RJABRYAOJWHDDJ-MRXNPFEDSA-N 2 1 244.382 2.476 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000309808050 384637111 /nfs/dbraw/zinc/63/71/11/384637111.db2.gz SRHIZQGMSAVSAM-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000309808050 384637114 /nfs/dbraw/zinc/63/71/14/384637114.db2.gz SRHIZQGMSAVSAM-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC000300896315 384639387 /nfs/dbraw/zinc/63/93/87/384639387.db2.gz QGPQAXIKNMGPCI-NEPJUHHUSA-N 2 1 212.381 2.482 20 0 BEADMP C[NH+](C)CCC[NH2+]Cc1cc(Cl)cs1 ZINC000086332138 384639538 /nfs/dbraw/zinc/63/95/38/384639538.db2.gz SIMGQDYQZMJDQP-UHFFFAOYSA-N 2 1 232.780 2.443 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)CC[N@@H+]1C ZINC000403374857 384642941 /nfs/dbraw/zinc/64/29/41/384642941.db2.gz NKWRGOPDBVTHLW-DHGKCCLASA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)CC[N@H+]1C ZINC000403374857 384642946 /nfs/dbraw/zinc/64/29/46/384642946.db2.gz NKWRGOPDBVTHLW-DHGKCCLASA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H](C[NH2+]Cc1cccc(F)c1)C[NH+](C)C ZINC000291677673 384643573 /nfs/dbraw/zinc/64/35/73/384643573.db2.gz HHJDYMHNGCOBJU-NSHDSACASA-N 2 1 224.323 2.113 20 0 BEADMP C[C@H](C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)c1ccccc1 ZINC000647534596 384646988 /nfs/dbraw/zinc/64/69/88/384646988.db2.gz RIBRHPAKEMQQKG-FVQBIDKESA-N 2 1 244.382 2.474 20 0 BEADMP C[C@H](C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)c1ccccc1 ZINC000647534596 384646991 /nfs/dbraw/zinc/64/69/91/384646991.db2.gz RIBRHPAKEMQQKG-FVQBIDKESA-N 2 1 244.382 2.474 20 0 BEADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1nccs1 ZINC000086404440 384647289 /nfs/dbraw/zinc/64/72/89/384647289.db2.gz UOCGUTIMSZUAOM-GUBZILKMSA-N 2 1 225.361 2.064 20 0 BEADMP [NH3+][C@H](C[NH2+]Cc1ccc(C(F)F)cc1)C1CC1 ZINC000556932307 384662421 /nfs/dbraw/zinc/66/24/21/384662421.db2.gz UKGSKITUKHDGPC-GFCCVEGCSA-N 2 1 240.297 2.451 20 0 BEADMP CC(C)C1([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000335911287 384677538 /nfs/dbraw/zinc/67/75/38/384677538.db2.gz IOMNDAUOESNFJA-NWDGAFQWSA-N 2 1 210.365 2.247 20 0 BEADMP CC(C)C1([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000335911287 384677543 /nfs/dbraw/zinc/67/75/43/384677543.db2.gz IOMNDAUOESNFJA-NWDGAFQWSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCc1ccccc1 ZINC000049713021 384678975 /nfs/dbraw/zinc/67/89/75/384678975.db2.gz MTTCZJGUWUHMSE-UKRRQHHQSA-N 2 1 232.371 2.431 20 0 BEADMP CN(CC(C)(C)C[NH3+])c1cc[nH+]cc1Cl ZINC000086840200 384700497 /nfs/dbraw/zinc/70/04/97/384700497.db2.gz STXFROFCYASHQW-UHFFFAOYSA-N 2 1 227.739 2.156 20 0 BEADMP FC1(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647543748 384712734 /nfs/dbraw/zinc/71/27/34/384712734.db2.gz RPJHQPHJYKERLV-STQMWFEESA-N 2 1 240.366 2.200 20 0 BEADMP CCC1CC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000310038774 384713611 /nfs/dbraw/zinc/71/36/11/384713611.db2.gz WKGRGCHJASXIPJ-NWINJMCUSA-N 2 1 222.376 2.391 20 0 BEADMP CCC1CC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000310038774 384713615 /nfs/dbraw/zinc/71/36/15/384713615.db2.gz WKGRGCHJASXIPJ-NWINJMCUSA-N 2 1 222.376 2.391 20 0 BEADMP C[N@@H+](CCC[NH3+])CCCCc1ccccc1 ZINC000162981164 384715073 /nfs/dbraw/zinc/71/50/73/384715073.db2.gz KDKSREMNIFPQMS-UHFFFAOYSA-N 2 1 220.360 2.290 20 0 BEADMP C[N@@H+](Cc1cccc2cnccc21)C1CC([NH3+])C1 ZINC000647544855 384718054 /nfs/dbraw/zinc/71/80/54/384718054.db2.gz KGRXLFGIADWLDD-UHFFFAOYSA-N 2 1 241.338 2.156 20 0 BEADMP C[NH2+]CCC[N@H+]1CCCc2cc(OC)ccc2C1 ZINC000518771406 384722493 /nfs/dbraw/zinc/72/24/93/384722493.db2.gz MVUAQCIDHHJLBK-UHFFFAOYSA-N 2 1 248.370 2.053 20 0 BEADMP C[NH+]1CCC([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000083371996 384774251 /nfs/dbraw/zinc/77/42/51/384774251.db2.gz STLIVPXNAGKQSX-UHFFFAOYSA-N 2 1 243.354 2.352 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000054081313 384730156 /nfs/dbraw/zinc/73/01/56/384730156.db2.gz AQVGAELORJIDAU-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cccc(C)c1CC[NH2+][C@@H]1CNC[C@@H](C)C1 ZINC000647549639 384747041 /nfs/dbraw/zinc/74/70/41/384747041.db2.gz KSCYUMTVCJUVAR-WFASDCNBSA-N 2 1 246.398 2.434 20 0 BEADMP Cc1cccc(C)c1CC[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647549639 384747048 /nfs/dbraw/zinc/74/70/48/384747048.db2.gz KSCYUMTVCJUVAR-WFASDCNBSA-N 2 1 246.398 2.434 20 0 BEADMP C[C@@]1(C[N@H+]2CC[C@@H](C3CCC3)C2)CC[NH2+]C1 ZINC000647552016 384758689 /nfs/dbraw/zinc/75/86/89/384758689.db2.gz AHNDZPNZLLLZIB-ZIAGYGMSSA-N 2 1 222.376 2.108 20 0 BEADMP CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](CCC[NH3+])C1 ZINC000647552759 384761148 /nfs/dbraw/zinc/76/11/48/384761148.db2.gz VNDBGEMJNTYZRJ-CHWSQXEVSA-N 2 1 224.392 2.483 20 0 BEADMP Clc1csc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000335483064 384821937 /nfs/dbraw/zinc/82/19/37/384821937.db2.gz JIGYXYATPUOUFI-UHFFFAOYSA-N 2 1 230.764 2.243 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000423264707 384782891 /nfs/dbraw/zinc/78/28/91/384782891.db2.gz QDXOYYCOHCPOTK-JHJVBQTASA-N 2 1 212.381 2.384 20 0 BEADMP C[C@H]([NH2+]C1Cc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000335041587 384783267 /nfs/dbraw/zinc/78/32/67/384783267.db2.gz QFEJIHPPSLMWSD-BLLLJJGKSA-N 2 1 244.382 2.274 20 0 BEADMP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000107786777 384784270 /nfs/dbraw/zinc/78/42/70/384784270.db2.gz LLTOZJYRRUBMFE-FZMZJTMJSA-N 2 1 236.359 2.329 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)C1CC1 ZINC000423284564 384788052 /nfs/dbraw/zinc/78/80/52/384788052.db2.gz WXLHGBBRKITVIU-KBPBESRZSA-N 2 1 234.318 2.140 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)C1CC1 ZINC000423284565 384788335 /nfs/dbraw/zinc/78/83/35/384788335.db2.gz WXLHGBBRKITVIU-KGLIPLIRSA-N 2 1 234.318 2.140 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC000564826216 384794190 /nfs/dbraw/zinc/79/41/90/384794190.db2.gz FJUYEEDCKBSWRD-PWSUYJOCSA-N 2 1 210.365 2.010 20 0 BEADMP [NH3+][C@@H](C[NH2+][C@H]1CCc2ccc(F)cc21)C1CC1 ZINC000423312866 384795982 /nfs/dbraw/zinc/79/59/82/384795982.db2.gz DXDDGKQNOFNBJP-KBPBESRZSA-N 2 1 234.318 2.140 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000104424503 384850058 /nfs/dbraw/zinc/85/00/58/384850058.db2.gz RFFOXKXUQRKNFZ-UKRRQHHQSA-N 2 1 232.371 2.288 20 0 BEADMP COc1ccc(CC[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000049707594 384897179 /nfs/dbraw/zinc/89/71/79/384897179.db2.gz XRWCGEOGVYZXEM-OCCSQVGLSA-N 2 1 248.370 2.049 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)[C@H](C)[NH3+] ZINC000423447061 384900267 /nfs/dbraw/zinc/90/02/67/384900267.db2.gz OSPSHXWFVPPGJI-IGJMFERPSA-N 2 1 222.307 2.138 20 0 BEADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])nc1 ZINC000156599590 384903060 /nfs/dbraw/zinc/90/30/60/384903060.db2.gz NDJUACVICMTEPU-CQSZACIVSA-N 2 1 233.359 2.093 20 0 BEADMP CC(C)[C@@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000257770881 384929012 /nfs/dbraw/zinc/92/90/12/384929012.db2.gz IFTVDTFCCSQSJX-KBPBESRZSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cnccc1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404265931 384966555 /nfs/dbraw/zinc/96/65/55/384966555.db2.gz HHTKPNIPEAPNGK-WFASDCNBSA-N 2 1 247.386 2.339 20 0 BEADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])O1 ZINC000404274806 384967093 /nfs/dbraw/zinc/96/70/93/384967093.db2.gz AHFGYRZBYAPEPR-DGAVXFQQSA-N 2 1 240.391 2.003 20 0 BEADMP Cc1ccsc1C[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000259171528 384964476 /nfs/dbraw/zinc/96/44/76/384964476.db2.gz YRCAAKDTXCKJOK-GFCCVEGCSA-N 2 1 238.400 2.488 20 0 BEADMP CCC(CC)[C@H](C[NH2+][C@@H](C)CCC[NH3+])[NH+](C)C ZINC000310407238 385048809 /nfs/dbraw/zinc/04/88/09/385048809.db2.gz OKTAWDINEQQTMV-JSGCOSHPSA-N 3 1 243.439 2.070 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000157056653 385054994 /nfs/dbraw/zinc/05/49/94/385054994.db2.gz MCBLFAZGSCRNIM-GFCCVEGCSA-N 2 1 236.334 2.305 20 0 BEADMP C[C@H](F)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000340471971 385068147 /nfs/dbraw/zinc/06/81/47/385068147.db2.gz XXZDUYROMVARHS-FIQHERPVSA-N 2 1 216.344 2.053 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000157114279 385077593 /nfs/dbraw/zinc/07/75/93/385077593.db2.gz GPUHAFLUPPMMJQ-RYUDHWBXSA-N 2 1 236.334 2.303 20 0 BEADMP C(C1CC[NH2+]CC1)[N@@H+](C1CC1)C1CCCC1 ZINC000086702063 385040692 /nfs/dbraw/zinc/04/06/92/385040692.db2.gz JYSNDXHIRGZUAX-UHFFFAOYSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CCC1 ZINC000177943957 385141876 /nfs/dbraw/zinc/14/18/76/385141876.db2.gz FHNBTYNGADTUSR-NEPJUHHUSA-N 2 1 222.376 2.249 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c(C)c1 ZINC000227056251 385085543 /nfs/dbraw/zinc/08/55/43/385085543.db2.gz LTOCQTFKTFIULR-DZGCQCFKSA-N 2 1 232.371 2.473 20 0 BEADMP CC1(C)[C@H]([NH2+]Cc2ccc(F)cc2F)C[C@@H]1[NH3+] ZINC000404830277 385087316 /nfs/dbraw/zinc/08/73/16/385087316.db2.gz XRTHZUHEIJRKGX-NWDGAFQWSA-N 2 1 240.297 2.180 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC000336236003 385090868 /nfs/dbraw/zinc/09/08/68/385090868.db2.gz GIPIORSPFUVUOC-JSGCOSHPSA-N 2 1 222.376 2.417 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000227200539 385106947 /nfs/dbraw/zinc/10/69/47/385106947.db2.gz WAJVGTQPDLBEFU-IPYPFGDCSA-N 2 1 232.371 2.459 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cn1 ZINC000062051258 385151236 /nfs/dbraw/zinc/15/12/36/385151236.db2.gz FSNIWGVXDZPNLP-CORIIIEPSA-N 2 1 247.386 2.208 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cn1 ZINC000062051258 385151247 /nfs/dbraw/zinc/15/12/47/385151247.db2.gz FSNIWGVXDZPNLP-CORIIIEPSA-N 2 1 247.386 2.208 20 0 BEADMP C[C@H](C[NH2+][C@H](C)c1ccccn1)C[NH+]1CCCC1 ZINC000062078022 385153683 /nfs/dbraw/zinc/15/36/83/385153683.db2.gz FAJNTDMJIWHGLL-ZIAGYGMSSA-N 2 1 247.386 2.464 20 0 BEADMP CC(C)[N@@H+](C)CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227540425 385158163 /nfs/dbraw/zinc/15/81/63/385158163.db2.gz JUSCZQKTPWFNLG-CABCVRRESA-N 2 1 247.386 2.061 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCc2ccccc2)CC[N@H+]1C ZINC000129596173 385167009 /nfs/dbraw/zinc/16/70/09/385167009.db2.gz PFOBTMUVZQNKRG-UKRRQHHQSA-N 2 1 232.371 2.301 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C(C)C)C2CC2)C1 ZINC000222052830 385173871 /nfs/dbraw/zinc/17/38/71/385173871.db2.gz ILCPYOIJGLQQJT-JSGCOSHPSA-N 2 1 224.392 2.352 20 0 BEADMP C(C1CCCC1)[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482603 385212989 /nfs/dbraw/zinc/21/29/89/385212989.db2.gz SGHLRKZAKYVJJH-UHFFFAOYSA-N 2 1 222.376 2.393 20 0 BEADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000252713516 385217341 /nfs/dbraw/zinc/21/73/41/385217341.db2.gz PKIHKCWZYWMVAU-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP CCSCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000300990047 385221408 /nfs/dbraw/zinc/22/14/08/385221408.db2.gz VSZFFQNMZRHCCS-YNEHKIRRSA-N 2 1 244.448 2.448 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1CCC1(C)C ZINC000308873328 385239354 /nfs/dbraw/zinc/23/93/54/385239354.db2.gz ZURZPKZXFJLBGB-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC1(C)C ZINC000308873328 385239356 /nfs/dbraw/zinc/23/93/56/385239356.db2.gz ZURZPKZXFJLBGB-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP Cc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cn1 ZINC000647482545 385204649 /nfs/dbraw/zinc/20/46/49/385204649.db2.gz OBISNRMBHJAJHQ-UHFFFAOYSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cn1 ZINC000647482545 385204657 /nfs/dbraw/zinc/20/46/57/385204657.db2.gz OBISNRMBHJAJHQ-UHFFFAOYSA-N 2 1 245.370 2.106 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000044529434 385309554 /nfs/dbraw/zinc/30/95/54/385309554.db2.gz DZPCSYAGAXXUTP-SGJXGLNRSA-N 2 1 230.355 2.371 20 0 BEADMP CC[C@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C1CC1 ZINC000308963440 385316899 /nfs/dbraw/zinc/31/68/99/385316899.db2.gz SXGRXHHJMMJVJI-YPMHNXCESA-N 2 1 212.381 2.493 20 0 BEADMP CC[C@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1CC1 ZINC000308963440 385316904 /nfs/dbraw/zinc/31/69/04/385316904.db2.gz SXGRXHHJMMJVJI-YPMHNXCESA-N 2 1 212.381 2.493 20 0 BEADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCCNCC2)C1 ZINC000346679775 385260024 /nfs/dbraw/zinc/26/00/24/385260024.db2.gz ATFAJTWAGNAPFJ-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP CC1(C)CCC[C@@H](C[N@H+]2CC[C@H](C[NH3+])C2)C1 ZINC000647490852 385282829 /nfs/dbraw/zinc/28/28/29/385282829.db2.gz VOCAWENLJACLBV-CHWSQXEVSA-N 2 1 224.392 2.483 20 0 BEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)C1CCCC1 ZINC000153786422 385282990 /nfs/dbraw/zinc/28/29/90/385282990.db2.gz LDUZYYJYPJSFOL-ZDUSSCGKSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCC1 ZINC000178476271 385283676 /nfs/dbraw/zinc/28/36/76/385283676.db2.gz CJIGTKNNNJPPFC-NSHDSACASA-N 2 1 222.376 2.391 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CC(C)C1 ZINC000308908072 385285075 /nfs/dbraw/zinc/28/50/75/385285075.db2.gz CZJIQQKBDCRLNE-OTTFEQOBSA-N 2 1 212.381 2.495 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CC(C)C1 ZINC000308908072 385285084 /nfs/dbraw/zinc/28/50/84/385285084.db2.gz CZJIQQKBDCRLNE-OTTFEQOBSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCO1 ZINC000157810598 385286230 /nfs/dbraw/zinc/28/62/30/385286230.db2.gz ACOZWPOTZYBXTO-AAVRWANBSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCO1 ZINC000157810598 385286234 /nfs/dbraw/zinc/28/62/34/385286234.db2.gz ACOZWPOTZYBXTO-AAVRWANBSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CCC1 ZINC000308996567 385338057 /nfs/dbraw/zinc/33/80/57/385338057.db2.gz MRPNRLOBOUUNFV-LLVKDONJSA-N 2 1 208.349 2.027 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1F ZINC000228150121 385350157 /nfs/dbraw/zinc/35/01/57/385350157.db2.gz MQTZHKYWUQRDSI-AAEUAGOBSA-N 2 1 236.334 2.303 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+]C[C@@H]1CCSC1 ZINC000309035240 385382723 /nfs/dbraw/zinc/38/27/23/385382723.db2.gz HRWGPACJVISMTG-NEPJUHHUSA-N 2 1 230.421 2.059 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CC(C)(C)C1 ZINC000309049634 385383734 /nfs/dbraw/zinc/38/37/34/385383734.db2.gz QDSYUDJOCMHLRR-LLVKDONJSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)C1CCC1 ZINC000309075948 385397734 /nfs/dbraw/zinc/39/77/34/385397734.db2.gz KJOFGXQXLGQLQP-LBPRGKRZSA-N 2 1 212.381 2.495 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1cc2cc(F)ccc2o1 ZINC000647497032 385398541 /nfs/dbraw/zinc/39/85/41/385398541.db2.gz XBILIQGJAVHMAL-UHFFFAOYSA-N 2 1 236.290 2.353 20 0 BEADMP C[C@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000193610408 385405317 /nfs/dbraw/zinc/40/53/17/385405317.db2.gz WQARIAAQBJSDAW-BMFZPTHFSA-N 2 1 244.382 2.284 20 0 BEADMP C[C@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccccc1 ZINC000193610408 385405321 /nfs/dbraw/zinc/40/53/21/385405321.db2.gz WQARIAAQBJSDAW-BMFZPTHFSA-N 2 1 244.382 2.284 20 0 BEADMP C[C@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccccc1 ZINC000193610408 385405325 /nfs/dbraw/zinc/40/53/25/385405325.db2.gz WQARIAAQBJSDAW-BMFZPTHFSA-N 2 1 244.382 2.284 20 0 BEADMP CCC[C@H](C)C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000309092800 385413927 /nfs/dbraw/zinc/41/39/27/385413927.db2.gz CTTZXXVJOXXKEJ-LBPRGKRZSA-N 2 1 210.365 2.274 20 0 BEADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CC1 ZINC000309190235 385457112 /nfs/dbraw/zinc/45/71/12/385457112.db2.gz PMQYVXGLPJNIJL-CYBMUJFWSA-N 2 1 208.349 2.027 20 0 BEADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CC1 ZINC000309190236 385457203 /nfs/dbraw/zinc/45/72/03/385457203.db2.gz PMQYVXGLPJNIJL-ZDUSSCGKSA-N 2 1 208.349 2.027 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2Cc3ccccc3C2)CC[N@@H+]1C ZINC000156573581 385458640 /nfs/dbraw/zinc/45/86/40/385458640.db2.gz LLDZMPNOZBVHNX-IUODEOHRSA-N 2 1 244.382 2.226 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2Cc3ccccc3C2)CC[N@H+]1C ZINC000156573581 385458644 /nfs/dbraw/zinc/45/86/44/385458644.db2.gz LLDZMPNOZBVHNX-IUODEOHRSA-N 2 1 244.382 2.226 20 0 BEADMP CC(C)(C)CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000309290352 385515798 /nfs/dbraw/zinc/51/57/98/385515798.db2.gz PZVUZXYRHMXSLG-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000172351224 385530787 /nfs/dbraw/zinc/53/07/87/385530787.db2.gz HVWHADZVSWNFEZ-CYBMUJFWSA-N 2 1 212.381 2.306 20 0 BEADMP CC(C)(C)CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000309388809 385560414 /nfs/dbraw/zinc/56/04/14/385560414.db2.gz SPOTUJVGAJGNGR-RWMBFGLXSA-N 2 1 224.392 2.482 20 0 BEADMP CCCC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000042491303 385584955 /nfs/dbraw/zinc/58/49/55/385584955.db2.gz ZZJAGAYGIBTLPM-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C1CC1 ZINC000063074024 385591488 /nfs/dbraw/zinc/59/14/88/385591488.db2.gz ZBMHRBCDQCMLIC-NSHDSACASA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)C1CC1 ZINC000063074024 385591493 /nfs/dbraw/zinc/59/14/93/385591493.db2.gz ZBMHRBCDQCMLIC-NSHDSACASA-N 2 1 210.365 2.249 20 0 BEADMP Cc1ccncc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000280860434 385612089 /nfs/dbraw/zinc/61/20/89/385612089.db2.gz LYRBRNWKGPHLNH-HUUCEWRRSA-N 2 1 247.386 2.352 20 0 BEADMP Cc1ncccc1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414854767 385697288 /nfs/dbraw/zinc/69/72/88/385697288.db2.gz VKZQHVROCKQDJI-HNNXBMFYSA-N 2 1 247.386 2.387 20 0 BEADMP C[C@@H](C[NH2+]Cc1ccsc1)C[NH+](C)C ZINC000291800023 385709969 /nfs/dbraw/zinc/70/99/69/385709969.db2.gz XDPKSXRKWDNSHC-JTQLQIEISA-N 2 1 212.362 2.035 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000488291044 385734818 /nfs/dbraw/zinc/73/48/18/385734818.db2.gz GVRPXNXETTZCDX-MCIONIFRSA-N 2 1 222.376 2.060 20 0 BEADMP CCC[C@H](C)[N@H+](C)CCn1cc[nH+]c1C ZINC000270800373 385745943 /nfs/dbraw/zinc/74/59/43/385745943.db2.gz FFZLBNVDDUPXSK-NSHDSACASA-N 2 1 209.337 2.312 20 0 BEADMP CCC[C@H](C)[N@@H+](C)CCn1cc[nH+]c1C ZINC000270800373 385745946 /nfs/dbraw/zinc/74/59/46/385745946.db2.gz FFZLBNVDDUPXSK-NSHDSACASA-N 2 1 209.337 2.312 20 0 BEADMP C1CC1[C@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000414862702 385751548 /nfs/dbraw/zinc/75/15/48/385751548.db2.gz HLQWSKKLQKDFLP-MELADBBJSA-N 2 1 222.376 2.297 20 0 BEADMP C[NH2+]CCC[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000414864566 385764545 /nfs/dbraw/zinc/76/45/45/385764545.db2.gz ZOAKBCMTRORCNO-UHFFFAOYSA-N 2 1 248.326 2.141 20 0 BEADMP C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414864165 385766408 /nfs/dbraw/zinc/76/64/08/385766408.db2.gz BJQXNSVUSOFYBK-SMDDNHRTSA-N 2 1 236.334 2.098 20 0 BEADMP CC[N@@H+](CCC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000309652764 385769912 /nfs/dbraw/zinc/76/99/12/385769912.db2.gz UFRXJYLWLXDERW-ZDUSSCGKSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1CC1 ZINC000336739879 385787438 /nfs/dbraw/zinc/78/74/38/385787438.db2.gz SXGRXHHJMMJVJI-AAEUAGOBSA-N 2 1 212.381 2.493 20 0 BEADMP CC[C@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1CC1 ZINC000336739879 385787442 /nfs/dbraw/zinc/78/74/42/385787442.db2.gz SXGRXHHJMMJVJI-AAEUAGOBSA-N 2 1 212.381 2.493 20 0 BEADMP CCN(CC[C@H]1CCC[N@H+]1C)Cc1ccncc1 ZINC000271029959 385773272 /nfs/dbraw/zinc/77/32/72/385773272.db2.gz QCOJTHDGBHALOT-OAHLLOKOSA-N 2 1 247.386 2.388 20 0 BEADMP CC[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccncc1 ZINC000271029959 385773273 /nfs/dbraw/zinc/77/32/73/385773273.db2.gz QCOJTHDGBHALOT-OAHLLOKOSA-N 2 1 247.386 2.388 20 0 BEADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccncc1 ZINC000271029959 385773274 /nfs/dbraw/zinc/77/32/74/385773274.db2.gz QCOJTHDGBHALOT-OAHLLOKOSA-N 2 1 247.386 2.388 20 0 BEADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccncc1 ZINC000271029959 385773275 /nfs/dbraw/zinc/77/32/75/385773275.db2.gz QCOJTHDGBHALOT-OAHLLOKOSA-N 2 1 247.386 2.388 20 0 BEADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccncc1 ZINC000271029959 385773276 /nfs/dbraw/zinc/77/32/76/385773276.db2.gz QCOJTHDGBHALOT-OAHLLOKOSA-N 2 1 247.386 2.388 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1ccccc1F ZINC000414944396 385779711 /nfs/dbraw/zinc/77/97/11/385779711.db2.gz NYWNXRLALSMYFN-QWRGUYRKSA-N 2 1 224.323 2.084 20 0 BEADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCF ZINC000309669481 385783492 /nfs/dbraw/zinc/78/34/92/385783492.db2.gz VKFYSKKSTUKEFL-QWHCGFSZSA-N 2 1 230.371 2.446 20 0 BEADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCF ZINC000309669479 385784915 /nfs/dbraw/zinc/78/49/15/385784915.db2.gz VKFYSKKSTUKEFL-OLZOCXBDSA-N 2 1 230.371 2.446 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@@H+]1CCCC1CCCC1 ZINC000336654251 385722200 /nfs/dbraw/zinc/72/22/00/385722200.db2.gz GNGHDXWWOPAGDT-ZDUSSCGKSA-N 2 1 210.365 2.380 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@H+]1CCCC1CCCC1 ZINC000336654251 385722204 /nfs/dbraw/zinc/72/22/04/385722204.db2.gz GNGHDXWWOPAGDT-ZDUSSCGKSA-N 2 1 210.365 2.380 20 0 BEADMP c1coc(CC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000336711011 385800599 /nfs/dbraw/zinc/80/05/99/385800599.db2.gz NJSBIQOBIQDDOF-UHFFFAOYSA-N 2 1 234.343 2.039 20 0 BEADMP Cc1ccncc1[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271869226 385857039 /nfs/dbraw/zinc/85/70/39/385857039.db2.gz MGJIZVSSHZHGNS-ZDUSSCGKSA-N 2 1 245.370 2.303 20 0 BEADMP CC[NH2+][C@H](C)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000414958493 385857270 /nfs/dbraw/zinc/85/72/70/385857270.db2.gz OXROUDGSVZSZJU-CHWSQXEVSA-N 2 1 220.360 2.378 20 0 BEADMP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H](C)C[NH3+] ZINC000414948920 385819800 /nfs/dbraw/zinc/81/98/00/385819800.db2.gz YMTZSYGWBAVMAW-MNOVXSKESA-N 2 1 224.323 2.084 20 0 BEADMP CC[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336738335 385836758 /nfs/dbraw/zinc/83/67/58/385836758.db2.gz OBQQLLZWKNRXDS-FZMZJTMJSA-N 2 1 222.376 2.391 20 0 BEADMP Cc1ccncc1[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000271587652 385839959 /nfs/dbraw/zinc/83/99/59/385839959.db2.gz SJMOEHIWQQODKJ-STQMWFEESA-N 2 1 235.375 2.381 20 0 BEADMP Cc1nc(C[NH+]2CCC(CC[NH3+])CC2)cs1 ZINC000069729515 385854737 /nfs/dbraw/zinc/85/47/37/385854737.db2.gz PEYBQNDRXVGLIM-UHFFFAOYSA-N 2 1 239.388 2.012 20 0 BEADMP C[C@@H](CCc1ccsc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000414867135 385793310 /nfs/dbraw/zinc/79/33/10/385793310.db2.gz GFBNJYDXTFQBJO-JQWIXIFHSA-N 2 1 224.373 2.021 20 0 BEADMP CCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C[NH3+] ZINC000414946217 385794828 /nfs/dbraw/zinc/79/48/28/385794828.db2.gz SBLLCNJUJINYKR-JSGCOSHPSA-N 2 1 220.360 2.335 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000414945045 385797255 /nfs/dbraw/zinc/79/72/55/385797255.db2.gz PQLITYMDZXZZTB-QWRGUYRKSA-N 2 1 224.323 2.084 20 0 BEADMP C[C@H](CC1CCCC1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414874830 385889852 /nfs/dbraw/zinc/88/98/52/385889852.db2.gz ZMJLQANOVLTIKJ-YPMHNXCESA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H](CC1CCCC1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414874827 385890038 /nfs/dbraw/zinc/89/00/38/385890038.db2.gz ZMJLQANOVLTIKJ-AAEUAGOBSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000414964200 385901820 /nfs/dbraw/zinc/90/18/20/385901820.db2.gz YJINIMWHHBELFC-AHLTXXRQSA-N 2 1 222.376 2.295 20 0 BEADMP C[C@@H](C[NH3+])C[NH2+]Cc1c(F)cccc1Cl ZINC000414877746 385930059 /nfs/dbraw/zinc/93/00/59/385930059.db2.gz NFBGUHMBIGEKGK-QMMMGPOBSA-N 2 1 230.714 2.164 20 0 BEADMP C1CC1[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414871790 385859730 /nfs/dbraw/zinc/85/97/30/385859730.db2.gz VOOKHAYETJCTOK-MGPQQGTHSA-N 2 1 222.376 2.297 20 0 BEADMP C[NH2+]CC[N@H+](C)C[C@H](C)CCc1ccccc1 ZINC000346687856 385872744 /nfs/dbraw/zinc/87/27/44/385872744.db2.gz WWWXBIBPJPBRJZ-CQSZACIVSA-N 2 1 234.387 2.407 20 0 BEADMP C[NH2+]CC[N@@H+](C)C[C@H](C)CCc1ccccc1 ZINC000346687856 385872747 /nfs/dbraw/zinc/87/27/47/385872747.db2.gz WWWXBIBPJPBRJZ-CQSZACIVSA-N 2 1 234.387 2.407 20 0 BEADMP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(F)cc1Cl ZINC000414873252 385873160 /nfs/dbraw/zinc/87/31/60/385873160.db2.gz GVFRBTGEESYTOV-QMMMGPOBSA-N 2 1 230.714 2.164 20 0 BEADMP CC[N@@H+](CCCn1ccnc1)Cc1ccncc1 ZINC000272069043 385874238 /nfs/dbraw/zinc/87/42/38/385874238.db2.gz UCXHJWFZRGYPEH-UHFFFAOYSA-N 2 1 244.342 2.190 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@](C)(CC)OC)C1 ZINC000638136049 385878754 /nfs/dbraw/zinc/87/87/54/385878754.db2.gz WRBKHOVNMJTZTO-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000335020806 385981257 /nfs/dbraw/zinc/98/12/57/385981257.db2.gz BDWKYJJUIGMLKA-UKRRQHHQSA-N 2 1 241.338 2.204 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000414136493 385984855 /nfs/dbraw/zinc/98/48/55/385984855.db2.gz FOTWEPLOBQCXGB-YVECIDJPSA-N 2 1 212.381 2.349 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000414136493 385984857 /nfs/dbraw/zinc/98/48/57/385984857.db2.gz FOTWEPLOBQCXGB-YVECIDJPSA-N 2 1 212.381 2.349 20 0 BEADMP C[C@@H](C[NH3+])C[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000414878580 385933725 /nfs/dbraw/zinc/93/37/25/385933725.db2.gz OIBBFQBNHKFHJZ-NSHDSACASA-N 2 1 245.326 2.026 20 0 BEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000335040558 385934408 /nfs/dbraw/zinc/93/44/08/385934408.db2.gz RPZIPYQOJUHAIK-NEPJUHHUSA-N 2 1 224.373 2.498 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000414060216 385936272 /nfs/dbraw/zinc/93/62/72/385936272.db2.gz JFLOWHDOJKAFHT-LOWDOPEQSA-N 2 1 212.381 2.351 20 0 BEADMP Cc1cnccc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000295009754 385941750 /nfs/dbraw/zinc/94/17/50/385941750.db2.gz ZGGBAAXWKJSENQ-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP Cc1cnccc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000295009754 385941756 /nfs/dbraw/zinc/94/17/56/385941756.db2.gz ZGGBAAXWKJSENQ-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP Cc1cnccc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000295009754 385941762 /nfs/dbraw/zinc/94/17/62/385941762.db2.gz ZGGBAAXWKJSENQ-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP Cc1cnccc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000295009754 385941767 /nfs/dbraw/zinc/94/17/67/385941767.db2.gz ZGGBAAXWKJSENQ-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2C[C@H]2C)C1 ZINC000414066984 385941866 /nfs/dbraw/zinc/94/18/66/385941866.db2.gz IMGYRMKSBHITDD-SYQHCUMBSA-N 2 1 224.392 2.352 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2C)C1 ZINC000414066977 385942822 /nfs/dbraw/zinc/94/28/22/385942822.db2.gz IMGYRMKSBHITDD-AAVRWANBSA-N 2 1 224.392 2.352 20 0 BEADMP COc1ccc(C)cc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414968808 385943225 /nfs/dbraw/zinc/94/32/25/385943225.db2.gz YMGCTIDQYKSADK-OCCSQVGLSA-N 2 1 248.370 2.091 20 0 BEADMP CC[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)[C@H]1C[C@H]1C ZINC000414085912 385955874 /nfs/dbraw/zinc/95/58/74/385955874.db2.gz YXYIQZYIDLLNQL-VZZFWQQMSA-N 2 1 224.392 2.351 20 0 BEADMP CC[C@@H](C)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000273133988 385971875 /nfs/dbraw/zinc/97/18/75/385971875.db2.gz VLBDSGGTNJABFH-GHMZBOCLSA-N 2 1 207.321 2.388 20 0 BEADMP CO[C@H](C[N@H+]1CCC[C@H](c2ncc[nH]2)C1)C1CC1 ZINC000425419631 385997743 /nfs/dbraw/zinc/99/77/43/385997743.db2.gz QRAPCWWELYHIJA-QWHCGFSZSA-N 2 1 249.358 2.014 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1cccc(Cl)c1 ZINC000414980561 386055998 /nfs/dbraw/zinc/05/59/98/386055998.db2.gz PQMSPAIJIJYDRX-NSHDSACASA-N 2 1 212.724 2.167 20 0 BEADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000414170853 386015794 /nfs/dbraw/zinc/01/57/94/386015794.db2.gz CLEMYGLHPYKZFM-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC2(C)C)C1 ZINC000414168598 386016709 /nfs/dbraw/zinc/01/67/09/386016709.db2.gz ANUPTYXQDIYIGU-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CCc1ccc(C[NH2+]C[C@H]([NH3+])CC)cc1 ZINC000414977367 386032261 /nfs/dbraw/zinc/03/22/61/386032261.db2.gz JSOPLNVRBWIFKR-CYBMUJFWSA-N 2 1 206.333 2.076 20 0 BEADMP COCCC[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414201709 386037157 /nfs/dbraw/zinc/03/71/57/386037157.db2.gz YIGAOKKZAOLQSX-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP CC(C)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334429118 386039520 /nfs/dbraw/zinc/03/95/20/386039520.db2.gz IRTHRNMXDNCYAN-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP CC(C)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334429118 386039527 /nfs/dbraw/zinc/03/95/27/386039527.db2.gz IRTHRNMXDNCYAN-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP CC(C)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000334429118 386039536 /nfs/dbraw/zinc/03/95/36/386039536.db2.gz IRTHRNMXDNCYAN-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000414163016 386045777 /nfs/dbraw/zinc/04/57/77/386045777.db2.gz MSPMAYHEFDVXMZ-CRWXNKLISA-N 2 1 224.392 2.495 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000414163016 386045784 /nfs/dbraw/zinc/04/57/84/386045784.db2.gz MSPMAYHEFDVXMZ-CRWXNKLISA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000414164575 386047738 /nfs/dbraw/zinc/04/77/38/386047738.db2.gz AWIYLLKYIQNIRA-AAVRWANBSA-N 2 1 224.392 2.351 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000414164575 386047743 /nfs/dbraw/zinc/04/77/43/386047743.db2.gz AWIYLLKYIQNIRA-AAVRWANBSA-N 2 1 224.392 2.351 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000414164577 386048792 /nfs/dbraw/zinc/04/87/92/386048792.db2.gz AWIYLLKYIQNIRA-REWJHTLYSA-N 2 1 224.392 2.351 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000414164577 386048794 /nfs/dbraw/zinc/04/87/94/386048794.db2.gz AWIYLLKYIQNIRA-REWJHTLYSA-N 2 1 224.392 2.351 20 0 BEADMP Cc1cccc(CC[C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000414885177 386051757 /nfs/dbraw/zinc/05/17/57/386051757.db2.gz ORZGMHQRULMLFI-UKRRQHHQSA-N 2 1 232.371 2.268 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000414665938 386118580 /nfs/dbraw/zinc/11/85/80/386118580.db2.gz VXFQYYIWAGMNET-KKUMJFAQSA-N 2 1 230.355 2.213 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000414665938 386118586 /nfs/dbraw/zinc/11/85/86/386118586.db2.gz VXFQYYIWAGMNET-KKUMJFAQSA-N 2 1 230.355 2.213 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@H]2CCC[C@H]2C2CC2)CC1 ZINC000414207267 386062103 /nfs/dbraw/zinc/06/21/03/386062103.db2.gz ZKJHWYWZUNNCCT-HIFRSBDPSA-N 2 1 236.403 2.497 20 0 BEADMP Fc1cccc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)c1 ZINC000334443434 386062214 /nfs/dbraw/zinc/06/22/14/386062214.db2.gz DVGVOEVTZBVFDI-GFCCVEGCSA-N 2 1 245.301 2.196 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H]2C2CC2)CC1 ZINC000414207270 386062954 /nfs/dbraw/zinc/06/29/54/386062954.db2.gz ZKJHWYWZUNNCCT-ZFWWWQNUSA-N 2 1 236.403 2.497 20 0 BEADMP COc1ccc(C[NH2+][C@H](C)CC[NH3+])c(Cl)c1 ZINC000414889857 386122106 /nfs/dbraw/zinc/12/21/06/386122106.db2.gz SWDAJPQPUDXTKK-SECBINFHSA-N 2 1 242.750 2.176 20 0 BEADMP CC[NH+](CC)C[C@H](C)Nc1cc(C)[nH+]c(C)n1 ZINC000041677368 386071861 /nfs/dbraw/zinc/07/18/61/386071861.db2.gz JYKUCMRIVFFTDA-NSHDSACASA-N 2 1 236.363 2.236 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC2(C)C)[C@@H]2CCC[C@H]21 ZINC000414217391 386072416 /nfs/dbraw/zinc/07/24/16/386072416.db2.gz CCSCJFYWAXFXHA-RVMXOQNASA-N 2 1 222.376 2.247 20 0 BEADMP C[NH+](C)[C@H]1CCC[N@@H+](CCOC(C)(C)C)CC1 ZINC000365382124 386072858 /nfs/dbraw/zinc/07/28/58/386072858.db2.gz WJBNXTBYDMREMJ-ZDUSSCGKSA-N 2 1 242.407 2.218 20 0 BEADMP C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414886488 386074650 /nfs/dbraw/zinc/07/46/50/386074650.db2.gz PZFWXWJVPNEQKU-DGCLKSJQSA-N 2 1 236.334 2.098 20 0 BEADMP FC1(F)CC[C@H](C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000310087565 386083167 /nfs/dbraw/zinc/08/31/67/386083167.db2.gz BLOPNIZDEWTGOT-RYUDHWBXSA-N 2 1 244.329 2.107 20 0 BEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccncc1F ZINC000340530512 386146074 /nfs/dbraw/zinc/14/60/74/386146074.db2.gz HCUUOOHISIVRSO-LLVKDONJSA-N 2 1 249.333 2.133 20 0 BEADMP [NH3+]CCC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000414676184 386148165 /nfs/dbraw/zinc/14/81/65/386148165.db2.gz NBIDMNZHQLMHLX-CYBMUJFWSA-N 2 1 222.307 2.311 20 0 BEADMP C[C@@H]([NH2+]C1CCSCC1)c1c[nH+]ccc1N ZINC000335156172 386150164 /nfs/dbraw/zinc/15/01/64/386150164.db2.gz LYQQKTITBGXXOT-SECBINFHSA-N 2 1 237.372 2.040 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)CC[N@@H+]1C ZINC000414350001 386152704 /nfs/dbraw/zinc/15/27/04/386152704.db2.gz YUFCXKYZYQPTRU-YVECIDJPSA-N 2 1 234.343 2.208 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)CC[N@H+]1C ZINC000414350001 386152707 /nfs/dbraw/zinc/15/27/07/386152707.db2.gz YUFCXKYZYQPTRU-YVECIDJPSA-N 2 1 234.343 2.208 20 0 BEADMP [NH3+]CCC[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000414684850 386172185 /nfs/dbraw/zinc/17/21/85/386172185.db2.gz WZYQBMBTIRCCKL-ZDUSSCGKSA-N 2 1 222.307 2.311 20 0 BEADMP COc1ccccc1[C@@H]1CCC[N@H+]1CCC[NH3+] ZINC000414686748 386177166 /nfs/dbraw/zinc/17/71/66/386177166.db2.gz AZGNMRGKWMFEIV-ZDUSSCGKSA-N 2 1 234.343 2.181 20 0 BEADMP Cc1cccc(C)c1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414894941 386180799 /nfs/dbraw/zinc/18/07/99/386180799.db2.gz MBXWUSAERWKNLE-AWEZNQCLSA-N 2 1 218.344 2.130 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000310429085 386185577 /nfs/dbraw/zinc/18/55/77/386185577.db2.gz MSKQCNUTWGXNMQ-OLZOCXBDSA-N 2 1 242.407 2.262 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000310429085 386185583 /nfs/dbraw/zinc/18/55/83/386185583.db2.gz MSKQCNUTWGXNMQ-OLZOCXBDSA-N 2 1 242.407 2.262 20 0 BEADMP C1CC1[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000414895059 386189037 /nfs/dbraw/zinc/18/90/37/386189037.db2.gz VOOKHAYETJCTOK-IHRRRGAJSA-N 2 1 222.376 2.297 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2(C)CCC2)C1 ZINC000340282436 386203270 /nfs/dbraw/zinc/20/32/70/386203270.db2.gz KDSTZLZOIILNQP-ZDUSSCGKSA-N 2 1 224.392 2.450 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC2(C)CCC2)C1 ZINC000340282436 386203274 /nfs/dbraw/zinc/20/32/74/386203274.db2.gz KDSTZLZOIILNQP-ZDUSSCGKSA-N 2 1 224.392 2.450 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2(C)CCC2)C1 ZINC000340282436 386203280 /nfs/dbraw/zinc/20/32/80/386203280.db2.gz KDSTZLZOIILNQP-ZDUSSCGKSA-N 2 1 224.392 2.450 20 0 BEADMP CCCOc1ccc2c(c1)CC[N@@H+](CCC[NH3+])C2 ZINC000414701985 386208911 /nfs/dbraw/zinc/20/89/11/386208911.db2.gz HGPFMKYQIQPMMI-UHFFFAOYSA-N 2 1 248.370 2.182 20 0 BEADMP CCCOc1ccc2c(c1)CC[N@H+](CCC[NH3+])C2 ZINC000414701985 386208917 /nfs/dbraw/zinc/20/89/17/386208917.db2.gz HGPFMKYQIQPMMI-UHFFFAOYSA-N 2 1 248.370 2.182 20 0 BEADMP Cc1cc(C)cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000131484855 386209205 /nfs/dbraw/zinc/20/92/05/386209205.db2.gz UFOCGSBCMHGCOX-ZFWWWQNUSA-N 2 1 232.371 2.473 20 0 BEADMP CC(C)[N@@H+](C)CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132090003 386219444 /nfs/dbraw/zinc/21/94/44/386219444.db2.gz JUSCZQKTPWFNLG-LSDHHAIUSA-N 2 1 247.386 2.061 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccc1F ZINC000132182927 386227006 /nfs/dbraw/zinc/22/70/06/386227006.db2.gz UNXGNJYWVVAGFH-NWDGAFQWSA-N 2 1 236.334 2.476 20 0 BEADMP COc1ccc([C@H](C)C[N@H+]2CCC[C@@H]2CN)cc1 ZINC000347125425 386237108 /nfs/dbraw/zinc/23/71/08/386237108.db2.gz YFVPLCJEWFKGCU-TZMCWYRMSA-N 2 1 248.370 2.222 20 0 BEADMP COc1ccc([C@H](C)C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000347125425 386237115 /nfs/dbraw/zinc/23/71/15/386237115.db2.gz YFVPLCJEWFKGCU-TZMCWYRMSA-N 2 1 248.370 2.222 20 0 BEADMP COc1ccc([C@H](C)C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000347125425 386237119 /nfs/dbraw/zinc/23/71/19/386237119.db2.gz YFVPLCJEWFKGCU-TZMCWYRMSA-N 2 1 248.370 2.222 20 0 BEADMP CCOc1cccc(C[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC000347096086 386247335 /nfs/dbraw/zinc/24/73/35/386247335.db2.gz IXCWMOYSZVPXMY-UHFFFAOYSA-N 2 1 248.370 2.269 20 0 BEADMP C[N@@H+](CCC1CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000336645586 386250872 /nfs/dbraw/zinc/25/08/72/386250872.db2.gz IEIWFUKXQUDSNO-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP C[NH+](CCC1CC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000336645586 386250873 /nfs/dbraw/zinc/25/08/73/386250873.db2.gz IEIWFUKXQUDSNO-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP C[NH+](CCC1CC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336645586 386250876 /nfs/dbraw/zinc/25/08/76/386250876.db2.gz IEIWFUKXQUDSNO-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP CCSCC[N@@H+](C)[C@H]1CCN(C)C[C@H]1C ZINC000336648794 386261248 /nfs/dbraw/zinc/26/12/48/386261248.db2.gz PPWGSARFHVPBII-NEPJUHHUSA-N 2 1 230.421 2.012 20 0 BEADMP CCSCC[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000336648794 386261250 /nfs/dbraw/zinc/26/12/50/386261250.db2.gz PPWGSARFHVPBII-NEPJUHHUSA-N 2 1 230.421 2.012 20 0 BEADMP CCSCC[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000336648794 386261253 /nfs/dbraw/zinc/26/12/53/386261253.db2.gz PPWGSARFHVPBII-NEPJUHHUSA-N 2 1 230.421 2.012 20 0 BEADMP CCSCC[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000336648794 386261254 /nfs/dbraw/zinc/26/12/54/386261254.db2.gz PPWGSARFHVPBII-NEPJUHHUSA-N 2 1 230.421 2.012 20 0 BEADMP CCSCC[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000336648794 386261257 /nfs/dbraw/zinc/26/12/57/386261257.db2.gz PPWGSARFHVPBII-NEPJUHHUSA-N 2 1 230.421 2.012 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+]CCC1CCOCC1 ZINC000310519304 386196133 /nfs/dbraw/zinc/19/61/33/386196133.db2.gz WFBRHFICQVYFQI-ZDUSSCGKSA-N 2 1 242.407 2.123 20 0 BEADMP Cc1ccc(C[C@H](C)[N@@H+](C)C[C@H]2CC[NH2+]C2)cc1 ZINC000647886091 386294090 /nfs/dbraw/zinc/29/40/90/386294090.db2.gz PZSZCUFLZUATQV-HOCLYGCPSA-N 2 1 246.398 2.467 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+](C)CC[NH2+]C(C)(C)C)C1 ZINC000414737878 386317773 /nfs/dbraw/zinc/31/77/73/386317773.db2.gz IZECIURFSFURBP-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+](C)CC[NH2+]C(C)(C)C)C1 ZINC000414737878 386317777 /nfs/dbraw/zinc/31/77/77/386317777.db2.gz IZECIURFSFURBP-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H](C1CCCCC1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647988776 386317883 /nfs/dbraw/zinc/31/78/83/386317883.db2.gz KSPAVCSDHUAPEM-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CCCOc1cccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])c1 ZINC000415003897 386264552 /nfs/dbraw/zinc/26/45/52/386264552.db2.gz GRLXGVQRPWSPJE-RYUDHWBXSA-N 2 1 236.359 2.301 20 0 BEADMP COCc1cccc(C[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC000347161927 386265305 /nfs/dbraw/zinc/26/53/05/386265305.db2.gz HUYSWJRBGCLGBK-UHFFFAOYSA-N 2 1 248.370 2.017 20 0 BEADMP CC[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647989242 386348766 /nfs/dbraw/zinc/34/87/66/386348766.db2.gz ZUUBRVLXARIXIJ-CZUORRHYSA-N 2 1 244.382 2.433 20 0 BEADMP C[NH2+]CCC[N@@H+](C)CCCCC1CCOCC1 ZINC000310063087 386356310 /nfs/dbraw/zinc/35/63/10/386356310.db2.gz DVIFIBNUHFQDAQ-UHFFFAOYSA-N 2 1 242.407 2.125 20 0 BEADMP C[N@H+](Cc1cc2ccccc2o1)C[C@H]1CC[NH2+]C1 ZINC000647889300 386357623 /nfs/dbraw/zinc/35/76/23/386357623.db2.gz CQFPUQSJJYSKSO-LBPRGKRZSA-N 2 1 244.338 2.474 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(C)(C)OC)C1 ZINC000336691323 386359924 /nfs/dbraw/zinc/35/99/24/386359924.db2.gz GEIRANYNIYDJFM-ZDUSSCGKSA-N 2 1 242.407 2.075 20 0 BEADMP C[C@@H]1CC2(C[N@H+]1Cc1ccncc1)CC[NH2+]CC2 ZINC000335275528 386334816 /nfs/dbraw/zinc/33/48/16/386334816.db2.gz CEHMAXFWICFHFG-CYBMUJFWSA-N 2 1 245.370 2.046 20 0 BEADMP CC[C@@H]1C[C@H](C)C[N@@H+]1CC[NH2+]C(C)(C)C ZINC000399179064 386438151 /nfs/dbraw/zinc/43/81/51/386438151.db2.gz RDGSDZLJPKLUTN-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H]1C[C@H](C)C[N@H+]1CC[NH2+]C(C)(C)C ZINC000399179064 386438153 /nfs/dbraw/zinc/43/81/53/386438153.db2.gz RDGSDZLJPKLUTN-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP C[N@H+](CCC[NH+]1CCCC1)CCOC(C)(C)C ZINC000336717828 386439735 /nfs/dbraw/zinc/43/97/35/386439735.db2.gz YOEAYECQIGLKEH-UHFFFAOYSA-N 2 1 242.407 2.219 20 0 BEADMP C[N@@H+](CCC[NH+]1CCCC1)CCOC(C)(C)C ZINC000336717828 386439739 /nfs/dbraw/zinc/43/97/39/386439739.db2.gz YOEAYECQIGLKEH-UHFFFAOYSA-N 2 1 242.407 2.219 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000157119569 386450001 /nfs/dbraw/zinc/45/00/01/386450001.db2.gz RVVIQCLXNZALAC-LPWJVIDDSA-N 2 1 242.432 2.200 20 0 BEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCc2ccncc2)CC1 ZINC000277152421 386413785 /nfs/dbraw/zinc/41/37/85/386413785.db2.gz JRBRROPCKKIQOX-OAHLLOKOSA-N 2 1 247.386 2.040 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000442664581 386420073 /nfs/dbraw/zinc/42/00/73/386420073.db2.gz MNYGRXUINYDJFF-OBJOEFQTSA-N 2 1 218.344 2.212 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000442664588 386420583 /nfs/dbraw/zinc/42/05/83/386420583.db2.gz MNYGRXUINYDJFF-SGMGOOAPSA-N 2 1 218.344 2.212 20 0 BEADMP COC[C@H](C)C[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000527361282 386422383 /nfs/dbraw/zinc/42/23/83/386422383.db2.gz LCGCDUAMABSXLQ-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP COC[C@H](C)C[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000527361282 386422392 /nfs/dbraw/zinc/42/23/92/386422392.db2.gz LCGCDUAMABSXLQ-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@H](Cc1ccncc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000347416882 386423262 /nfs/dbraw/zinc/42/32/62/386423262.db2.gz PGZONTJGHVUCID-IPYPFGDCSA-N 2 1 247.386 2.085 20 0 BEADMP C[C@H](Cc1ccncc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000347416882 386423266 /nfs/dbraw/zinc/42/32/66/386423266.db2.gz PGZONTJGHVUCID-IPYPFGDCSA-N 2 1 247.386 2.085 20 0 BEADMP CCSCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339434376 386424036 /nfs/dbraw/zinc/42/40/36/386424036.db2.gz JYSWUILMXVVVOE-CYBMUJFWSA-N 2 1 242.432 2.157 20 0 BEADMP CCSCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339434376 386424041 /nfs/dbraw/zinc/42/40/41/386424041.db2.gz JYSWUILMXVVVOE-CYBMUJFWSA-N 2 1 242.432 2.157 20 0 BEADMP CCSCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339434376 386424045 /nfs/dbraw/zinc/42/40/45/386424045.db2.gz JYSWUILMXVVVOE-CYBMUJFWSA-N 2 1 242.432 2.157 20 0 BEADMP CC[C@@H]1C[C@@H](C)C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000399148418 386427197 /nfs/dbraw/zinc/42/71/97/386427197.db2.gz GCVIQBLCXQRYEQ-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]1C[C@H](C)C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000399163026 386428472 /nfs/dbraw/zinc/42/84/72/386428472.db2.gz LOLHRVQTVQATEM-MELADBBJSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CC1 ZINC000290550958 386452294 /nfs/dbraw/zinc/45/22/94/386452294.db2.gz RTVIXPPDHACETE-OWCLPIDISA-N 2 1 242.366 2.009 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CC1(C)C ZINC000336743498 386431448 /nfs/dbraw/zinc/43/14/48/386431448.db2.gz PFZVFCINFYGTFE-WUHRBBMRSA-N 2 1 224.392 2.493 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CC1(C)C ZINC000336743498 386431453 /nfs/dbraw/zinc/43/14/53/386431453.db2.gz PFZVFCINFYGTFE-WUHRBBMRSA-N 2 1 224.392 2.493 20 0 BEADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000399173388 386433313 /nfs/dbraw/zinc/43/33/13/386433313.db2.gz PBOMNUQGPBJWFZ-REWJHTLYSA-N 2 1 224.392 2.495 20 0 BEADMP CO[C@@H](C)C[N@@H+](CC[C@H]1CCC[NH+]1C)C(C)C ZINC000336714278 386434086 /nfs/dbraw/zinc/43/40/86/386434086.db2.gz QPHPUVCEJWYRBA-UONOGXRCSA-N 2 1 242.407 2.216 20 0 BEADMP CO[C@@H](C)C[NH+](CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC000336714278 386434088 /nfs/dbraw/zinc/43/40/88/386434088.db2.gz QPHPUVCEJWYRBA-UONOGXRCSA-N 2 1 242.407 2.216 20 0 BEADMP CO[C@@H](C)C[NH+](CC[C@H]1CCC[N@H+]1C)C(C)C ZINC000336714278 386434094 /nfs/dbraw/zinc/43/40/94/386434094.db2.gz QPHPUVCEJWYRBA-UONOGXRCSA-N 2 1 242.407 2.216 20 0 BEADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000399173389 386435294 /nfs/dbraw/zinc/43/52/94/386435294.db2.gz PBOMNUQGPBJWFZ-RFQIPJPRSA-N 2 1 224.392 2.495 20 0 BEADMP CCc1cccc(F)c1C[NH2+]C1CC[NH2+]CC1 ZINC000414787634 386528610 /nfs/dbraw/zinc/52/86/10/386528610.db2.gz ZOMWUUVXBKYNKX-UHFFFAOYSA-N 2 1 236.334 2.230 20 0 BEADMP CC1(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCC1 ZINC000414775184 386470821 /nfs/dbraw/zinc/47/08/21/386470821.db2.gz GGSQITKINANGRQ-KBPBESRZSA-N 2 1 236.403 2.498 20 0 BEADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)CC[C@@H]1[NH3+] ZINC000647934370 386472838 /nfs/dbraw/zinc/47/28/38/386472838.db2.gz CDDABYTUTIGYMC-RDBSUJKOSA-N 2 1 240.391 2.005 20 0 BEADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)CC[C@H]1[NH3+] ZINC000647934367 386472918 /nfs/dbraw/zinc/47/29/18/386472918.db2.gz CDDABYTUTIGYMC-HZSPNIEDSA-N 2 1 240.391 2.005 20 0 BEADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)CC[C@@H]1[NH3+] ZINC000647934368 386473116 /nfs/dbraw/zinc/47/31/16/386473116.db2.gz CDDABYTUTIGYMC-MCIONIFRSA-N 2 1 240.391 2.005 20 0 BEADMP CC[C@H](C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000414782444 386504347 /nfs/dbraw/zinc/50/43/47/386504347.db2.gz DSUASTZFGZBANQ-BMFZPTHFSA-N 2 1 244.382 2.474 20 0 BEADMP CC[C@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000414782444 386504354 /nfs/dbraw/zinc/50/43/54/386504354.db2.gz DSUASTZFGZBANQ-BMFZPTHFSA-N 2 1 244.382 2.474 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000415022588 386510702 /nfs/dbraw/zinc/51/07/02/386510702.db2.gz VPHULTDLTHDORR-QWRGUYRKSA-N 2 1 218.344 2.389 20 0 BEADMP COc1ccccc1/C=C/C[N@H+](C)C1CC([NH3+])C1 ZINC000414783353 386512122 /nfs/dbraw/zinc/51/21/22/386512122.db2.gz YYZWBITTYOLSFN-FNORWQNLSA-N 2 1 246.354 2.130 20 0 BEADMP COc1ccccc1/C=C/C[N@@H+](C)C1CC([NH3+])C1 ZINC000414783353 386512132 /nfs/dbraw/zinc/51/21/32/386512132.db2.gz YYZWBITTYOLSFN-FNORWQNLSA-N 2 1 246.354 2.130 20 0 BEADMP Cc1ccncc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000135500127 386520360 /nfs/dbraw/zinc/52/03/60/386520360.db2.gz VUYJDYFDEVHCLJ-CQSZACIVSA-N 2 1 233.359 2.093 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415033814 386521141 /nfs/dbraw/zinc/52/11/41/386521141.db2.gz CCAALLDVQFTLCJ-RQJABVFESA-N 2 1 222.376 2.106 20 0 BEADMP Cc1ccc(CCC[NH2+][C@H]2CC[NH2+]C2(C)C)cn1 ZINC000415036960 386523552 /nfs/dbraw/zinc/52/35/52/386523552.db2.gz KTCAITVRIBBDPA-AWEZNQCLSA-N 2 1 247.386 2.053 20 0 BEADMP Oc1ccc2c(c1)[C@H]([NH2+]C1CC[NH2+]CC1)CCC2 ZINC000335451736 386524637 /nfs/dbraw/zinc/52/46/37/386524637.db2.gz MHWBHLACNVQJAP-OAHLLOKOSA-N 2 1 246.354 2.111 20 0 BEADMP CCOc1ccccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414916849 386525273 /nfs/dbraw/zinc/52/52/73/386525273.db2.gz PGHFGZQPAQRZMU-AWEZNQCLSA-N 2 1 248.370 2.317 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1C ZINC000094338840 386457967 /nfs/dbraw/zinc/45/79/67/386457967.db2.gz NWERWQIKMPZRGH-UKRRQHHQSA-N 2 1 232.371 2.473 20 0 BEADMP C[C@H]1CC([NH2+][C@@H](C[NH3+])C2CC2)C[C@H](C)C1 ZINC000414795697 386575460 /nfs/dbraw/zinc/57/54/60/386575460.db2.gz GYOGMPIRXKGVIO-BREBYQMCSA-N 2 1 210.365 2.138 20 0 BEADMP Cc1ccc(CN[C@@H](C[NH3+])C2CC2)cc1C ZINC000414798030 386581922 /nfs/dbraw/zinc/58/19/22/386581922.db2.gz IXLCEOBELQKXFW-AWEZNQCLSA-N 2 1 218.344 2.130 20 0 BEADMP Cc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1C ZINC000414798030 386581926 /nfs/dbraw/zinc/58/19/26/386581926.db2.gz IXLCEOBELQKXFW-AWEZNQCLSA-N 2 1 218.344 2.130 20 0 BEADMP CCc1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000414800600 386588643 /nfs/dbraw/zinc/58/86/43/386588643.db2.gz SFMJEHLLMIBZFK-AWEZNQCLSA-N 2 1 220.360 2.322 20 0 BEADMP C[C@@H](CCc1ccsc1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414803034 386596268 /nfs/dbraw/zinc/59/62/68/386596268.db2.gz IYSOZUZHGRPCHC-GXFFZTMASA-N 2 1 238.400 2.396 20 0 BEADMP C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000414788781 386533434 /nfs/dbraw/zinc/53/34/34/386533434.db2.gz MWASBQLOUTVHJS-IMJJTQAJSA-N 2 1 244.382 2.159 20 0 BEADMP C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000414788781 386533441 /nfs/dbraw/zinc/53/34/41/386533441.db2.gz MWASBQLOUTVHJS-IMJJTQAJSA-N 2 1 244.382 2.159 20 0 BEADMP C[C@@H](C1CCC1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415048084 386533641 /nfs/dbraw/zinc/53/36/41/386533641.db2.gz CBRVABWLWPFOKG-NTZNESFSSA-N 2 1 210.365 2.092 20 0 BEADMP CCSc1cccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000415048718 386535194 /nfs/dbraw/zinc/53/51/94/386535194.db2.gz ZTWFCGDDTZAQKW-WDNDVIMCSA-N 2 1 248.395 2.106 20 0 BEADMP CC[C@@H]1C[C@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)CCO1 ZINC000415056044 386537509 /nfs/dbraw/zinc/53/75/09/386537509.db2.gz PDXNFQBDIMHKJM-UPJWGTAASA-N 2 1 242.407 2.155 20 0 BEADMP CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](CCN)C1 ZINC000647995411 386539406 /nfs/dbraw/zinc/53/94/06/386539406.db2.gz VVLGEQQQTKVPKV-NWDGAFQWSA-N 2 1 210.365 2.093 20 0 BEADMP CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](CC[NH3+])C1 ZINC000647995411 386539414 /nfs/dbraw/zinc/53/94/14/386539414.db2.gz VVLGEQQQTKVPKV-NWDGAFQWSA-N 2 1 210.365 2.093 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cccc2cccnc21 ZINC000414790401 386543194 /nfs/dbraw/zinc/54/31/94/386543194.db2.gz GNNVUUCOMIXUIM-CQSZACIVSA-N 2 1 243.354 2.308 20 0 BEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)C1CCC1 ZINC000415067376 386547162 /nfs/dbraw/zinc/54/71/62/386547162.db2.gz OZUPFJNPNJBNKI-GXFFZTMASA-N 2 1 210.365 2.282 20 0 BEADMP NC[C@H]([NH2+]Cc1cccc2cccnc21)C1CC1 ZINC000414791470 386550491 /nfs/dbraw/zinc/55/04/91/386550491.db2.gz BGMTXYVKCUGGMS-AWEZNQCLSA-N 2 1 241.338 2.062 20 0 BEADMP [NH3+]C[C@H]([NH2+]Cc1cccc2cccnc21)C1CC1 ZINC000414791470 386550498 /nfs/dbraw/zinc/55/04/98/386550498.db2.gz BGMTXYVKCUGGMS-AWEZNQCLSA-N 2 1 241.338 2.062 20 0 BEADMP CCOc1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000414793578 386555188 /nfs/dbraw/zinc/55/51/88/386555188.db2.gz KTQWRMITAHESSK-AWEZNQCLSA-N 2 1 236.359 2.158 20 0 BEADMP Cc1cccc(C[NH2+]C[C@H]([NH3+])C(C)C)c1 ZINC000414794747 386560922 /nfs/dbraw/zinc/56/09/22/386560922.db2.gz MBTUQYIJSVNZIM-ZDUSSCGKSA-N 2 1 206.333 2.068 20 0 BEADMP Cc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1Cl ZINC000414796443 386567786 /nfs/dbraw/zinc/56/77/86/386567786.db2.gz ANJKVAMUYGHOGE-ZDUSSCGKSA-N 2 1 238.762 2.475 20 0 BEADMP CCCC[C@H](CN)[NH2+]Cc1ccsc1 ZINC000414809807 386622316 /nfs/dbraw/zinc/62/23/16/386622316.db2.gz HALLULAQAISEDT-LLVKDONJSA-N 2 1 212.362 2.355 20 0 BEADMP C[C@@H]1CC(C)(C)C[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415127049 386627880 /nfs/dbraw/zinc/62/78/80/386627880.db2.gz RKFOPLUKZOQFBL-UPJWGTAASA-N 2 1 224.392 2.495 20 0 BEADMP Cc1cc(C[NH2+]CC(C)(C)[NH3+])ccc1Cl ZINC000414809182 386628241 /nfs/dbraw/zinc/62/82/41/386628241.db2.gz USQGQKFQPPWXCO-UHFFFAOYSA-N 2 1 226.751 2.475 20 0 BEADMP Cc1ccnc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c1 ZINC000425919252 386632356 /nfs/dbraw/zinc/63/23/56/386632356.db2.gz IUTXPZZDDPQYOF-OLZOCXBDSA-N 2 1 235.375 2.238 20 0 BEADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CC(C)C ZINC000417379454 386656029 /nfs/dbraw/zinc/65/60/29/386656029.db2.gz UOIPWPRXNZVQHU-MCIONIFRSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)C[C@H](C)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000337200793 386647860 /nfs/dbraw/zinc/64/78/60/386647860.db2.gz FHROTHHTNXIBRX-MELADBBJSA-N 2 1 224.392 2.162 20 0 BEADMP CC(C)C[C@H](C)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000337200793 386647866 /nfs/dbraw/zinc/64/78/66/386647866.db2.gz FHROTHHTNXIBRX-MELADBBJSA-N 2 1 224.392 2.162 20 0 BEADMP CC(C)C[C@H](C)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000337200793 386647870 /nfs/dbraw/zinc/64/78/70/386647870.db2.gz FHROTHHTNXIBRX-MELADBBJSA-N 2 1 224.392 2.162 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC000049256939 386603852 /nfs/dbraw/zinc/60/38/52/386603852.db2.gz NQVHXPBFGWWFRY-AWEZNQCLSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC000049256939 386603857 /nfs/dbraw/zinc/60/38/57/386603857.db2.gz NQVHXPBFGWWFRY-AWEZNQCLSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000049256941 386604005 /nfs/dbraw/zinc/60/40/05/386604005.db2.gz BWYHOZAOONDVNR-CQSZACIVSA-N 2 1 232.371 2.474 20 0 BEADMP Cc1cscc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000335489984 386606587 /nfs/dbraw/zinc/60/65/87/386606587.db2.gz ANEVWMOGXFNLQN-QWRGUYRKSA-N 2 1 210.346 2.026 20 0 BEADMP [NH3+]C[C@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC000414804329 386609953 /nfs/dbraw/zinc/60/99/53/386609953.db2.gz OPZMLFRKFYAWFP-ZDUSSCGKSA-N 2 1 210.365 2.284 20 0 BEADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000453427418 386610405 /nfs/dbraw/zinc/61/04/05/386610405.db2.gz ZOYWZOWNCJMZCE-IGQOVBAYSA-N 2 1 240.391 2.016 20 0 BEADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000453427418 386610412 /nfs/dbraw/zinc/61/04/12/386610412.db2.gz ZOYWZOWNCJMZCE-IGQOVBAYSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453432677 386615844 /nfs/dbraw/zinc/61/58/44/386615844.db2.gz SBRCTWXFJFAMAX-PWSUYJOCSA-N 2 1 246.345 2.352 20 0 BEADMP CC(C)C[C@H]([NH3+])C[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414819866 386660180 /nfs/dbraw/zinc/66/01/80/386660180.db2.gz ZVNZSQLAJLKVFP-WFASDCNBSA-N 3 1 249.402 2.169 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000414926350 386661005 /nfs/dbraw/zinc/66/10/05/386661005.db2.gz KAHFQHWKMGQGAG-NXEZZACHSA-N 2 1 226.751 2.208 20 0 BEADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000414926226 386670342 /nfs/dbraw/zinc/67/03/42/386670342.db2.gz KNKVSHXAUWTNJW-UMVBOHGHSA-N 2 1 232.371 2.378 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000414821994 386671123 /nfs/dbraw/zinc/67/11/23/386671123.db2.gz DDJZEERNDXLWQR-LBPRGKRZSA-N 2 1 238.350 2.346 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000414821366 386678835 /nfs/dbraw/zinc/67/88/35/386678835.db2.gz DVKRWCCGCAGNHM-QWHCGFSZSA-N 2 1 210.365 2.154 20 0 BEADMP C[C@H](C[NH3+])[NH2+]CCCCCOc1ccccc1 ZINC000414927218 386680771 /nfs/dbraw/zinc/68/07/71/386680771.db2.gz LTIVWGCURWDSHC-CYBMUJFWSA-N 2 1 236.359 2.173 20 0 BEADMP C[NH2+]CC[NH2+][C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000414824348 386683028 /nfs/dbraw/zinc/68/30/28/386683028.db2.gz KERVXBDOZWQPOG-GJZGRUSLSA-N 2 1 232.371 2.440 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000414927219 386683648 /nfs/dbraw/zinc/68/36/48/386683648.db2.gz LTLGGEZNIGGYCP-BPLDGKMQSA-N 2 1 232.371 2.335 20 0 BEADMP COc1cccc(Cl)c1C[NH2+]CC[C@@H](C)[NH3+] ZINC000414826231 386693245 /nfs/dbraw/zinc/69/32/45/386693245.db2.gz VFEJWKXQXONFSO-SECBINFHSA-N 2 1 242.750 2.176 20 0 BEADMP C[NH2+]CC[NH2+][C@@H](C)C[C@@H](C)CC(C)C ZINC000414828624 386699492 /nfs/dbraw/zinc/69/94/92/386699492.db2.gz LAWVIIQMEPGXQO-RYUDHWBXSA-N 2 1 200.370 2.256 20 0 BEADMP C[C@@H](C1CCC1)[N@@H+](C)CCn1ccnc1 ZINC000357045332 386699853 /nfs/dbraw/zinc/69/98/53/386699853.db2.gz WOJVYZCDBXXVNP-NSHDSACASA-N 2 1 207.321 2.004 20 0 BEADMP CCc1cccc(F)c1C[NH2+]C[C@H](C)C[NH2+]C ZINC000414830057 386706388 /nfs/dbraw/zinc/70/63/88/386706388.db2.gz ALCAEDPALOVCOW-LLVKDONJSA-N 2 1 238.350 2.333 20 0 BEADMP CCC[C@@H](C[NH2+]CCNC)c1ccccc1 ZINC000414836837 386731555 /nfs/dbraw/zinc/73/15/55/386731555.db2.gz WMLXZBXMGMUEJZ-AWEZNQCLSA-N 2 1 220.360 2.379 20 0 BEADMP CCC[C@@H](C[NH2+]CC[NH2+]C)c1ccccc1 ZINC000414836837 386731561 /nfs/dbraw/zinc/73/15/61/386731561.db2.gz WMLXZBXMGMUEJZ-AWEZNQCLSA-N 2 1 220.360 2.379 20 0 BEADMP C[NH2+]CCN[C@@H](C)CCc1ccc(C)cc1 ZINC000414836130 386732803 /nfs/dbraw/zinc/73/28/03/386732803.db2.gz VSKJRSAHAJBIJU-ZDUSSCGKSA-N 2 1 220.360 2.125 20 0 BEADMP C[NH2+]CC[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC000414836130 386732809 /nfs/dbraw/zinc/73/28/09/386732809.db2.gz VSKJRSAHAJBIJU-ZDUSSCGKSA-N 2 1 220.360 2.125 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000414930242 386738289 /nfs/dbraw/zinc/73/82/89/386738289.db2.gz PQLITYMDZXZZTB-WDEREUQCSA-N 2 1 224.323 2.084 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CSc2ccccc21)C1C[NH2+]C1 ZINC000335536382 386739375 /nfs/dbraw/zinc/73/93/75/386739375.db2.gz RAVZGQPOZNVFIO-BXKDBHETSA-N 2 1 234.368 2.031 20 0 BEADMP C[C@H]([NH2+][C@@H]1CSc2ccccc21)C1C[NH2+]C1 ZINC000335536384 386740004 /nfs/dbraw/zinc/74/00/04/386740004.db2.gz RAVZGQPOZNVFIO-JOYOIKCWSA-N 2 1 234.368 2.031 20 0 BEADMP C[NH2+]CC[NH2+][C@@H](C)Cc1ccccc1SC ZINC000414831984 386715760 /nfs/dbraw/zinc/71/57/60/386715760.db2.gz QLFSVRXFYPJPLK-NSHDSACASA-N 2 1 238.400 2.149 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@H]1CCCSC1)C1CCCCC1 ZINC000414832088 386718504 /nfs/dbraw/zinc/71/85/04/386718504.db2.gz DFPQJMVSAGIIQR-STQMWFEESA-N 2 1 242.432 2.379 20 0 BEADMP C[NH2+]CC[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000414834437 386725220 /nfs/dbraw/zinc/72/52/20/386725220.db2.gz UDNOSORCSJYOLI-ZDUSSCGKSA-N 2 1 220.360 2.125 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)ccc1F ZINC000050559346 386727442 /nfs/dbraw/zinc/72/74/42/386727442.db2.gz HTESUXGYBPBIAS-ZDUSSCGKSA-N 2 1 236.334 2.305 20 0 BEADMP [NH3+]C[C@@H]([NH2+]C1CCSCC1)C1CCCCC1 ZINC000414839984 386746856 /nfs/dbraw/zinc/74/68/56/386746856.db2.gz LZTVSKVSPBHFAB-CYBMUJFWSA-N 2 1 242.432 2.379 20 0 BEADMP CCC[C@H](C)C[NH2+][C@H](C[NH3+])CC(C)C ZINC000414840873 386751544 /nfs/dbraw/zinc/75/15/44/386751544.db2.gz MRTKGNRUYVZXBM-RYUDHWBXSA-N 2 1 200.370 2.386 20 0 BEADMP c1ccc2c(c1)C[NH+](C[C@H]1CCC[NH2+]C1)C2 ZINC000050911367 386756403 /nfs/dbraw/zinc/75/64/03/386756403.db2.gz UQHASMDSPFXCNC-LBPRGKRZSA-N 2 1 216.328 2.002 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000414931407 386760522 /nfs/dbraw/zinc/76/05/22/386760522.db2.gz PZJIBIHRUHKRNL-QCEMKRCNSA-N 2 1 244.382 2.378 20 0 BEADMP CCSCC[C@@H](C)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000340712618 386760876 /nfs/dbraw/zinc/76/08/76/386760876.db2.gz PNEKRJAQTYOIDQ-OLZOCXBDSA-N 2 1 244.448 2.450 20 0 BEADMP CCSCC[C@H](C)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000340712626 386761187 /nfs/dbraw/zinc/76/11/87/386761187.db2.gz PNEKRJAQTYOIDQ-STQMWFEESA-N 2 1 244.448 2.450 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000414931268 386761339 /nfs/dbraw/zinc/76/13/39/386761339.db2.gz RBMZDUIMUARVKE-WOPDTQHZSA-N 2 1 206.333 2.115 20 0 BEADMP CC(C)C1CC([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000335538116 386742684 /nfs/dbraw/zinc/74/26/84/386742684.db2.gz GINYRYKMHIZAMQ-IKWCTNDRSA-N 2 1 210.365 2.151 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000414933763 386790535 /nfs/dbraw/zinc/79/05/35/386790535.db2.gz URZRHEBMPYVICX-UVLXDEKHSA-N 2 1 218.344 2.115 20 0 BEADMP C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCC[NH2+]C1 ZINC000020293337 386793626 /nfs/dbraw/zinc/79/36/26/386793626.db2.gz ZQLUGBKBEKNJGD-ZDUSSCGKSA-N 2 1 236.334 2.257 20 0 BEADMP C[N@H+](Cc1cccc(F)c1)C[C@H]1CCC[NH2+]C1 ZINC000020293337 386793633 /nfs/dbraw/zinc/79/36/33/386793633.db2.gz ZQLUGBKBEKNJGD-ZDUSSCGKSA-N 2 1 236.334 2.257 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(Cl)cc1F ZINC000414844427 386771265 /nfs/dbraw/zinc/77/12/65/386771265.db2.gz RGIYEUCZNWNUEM-VIFPVBQESA-N 2 1 244.741 2.424 20 0 BEADMP C[N@H+](Cc1ccccc1F)CC(C)(C)C[NH3+] ZINC000051255457 386777475 /nfs/dbraw/zinc/77/74/75/386777475.db2.gz ZHFPFZCHBRQVFR-UHFFFAOYSA-N 2 1 224.323 2.242 20 0 BEADMP C[N@@H+](Cc1ccccc1F)CC(C)(C)C[NH3+] ZINC000051255457 386777479 /nfs/dbraw/zinc/77/74/79/386777479.db2.gz ZHFPFZCHBRQVFR-UHFFFAOYSA-N 2 1 224.323 2.242 20 0 BEADMP CCC1CC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000336743719 386777809 /nfs/dbraw/zinc/77/78/09/386777809.db2.gz UEKGBXDIHVECPM-CPCZMJQVSA-N 2 1 222.376 2.249 20 0 BEADMP CC(C)[C@@H]1CC[C@@H]([NH2+][C@H](C)C[NH3+])C[C@@H]1C ZINC000414933455 386783071 /nfs/dbraw/zinc/78/30/71/386783071.db2.gz UFYACWJNKTUNLX-LOWDOPEQSA-N 2 1 212.381 2.384 20 0 BEADMP CC(C)C[C@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000414935551 386818103 /nfs/dbraw/zinc/81/81/03/386818103.db2.gz UJKIRITWQYRNIZ-RWMBFGLXSA-N 2 1 212.381 2.256 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000414846174 386810401 /nfs/dbraw/zinc/81/04/01/386810401.db2.gz UFLLRBNQJSZIAG-SECBINFHSA-N 2 1 244.741 2.424 20 0 BEADMP C[C@H]1C[C@H](C[N@H+]2CCCC3(CC3)C2)CC[NH2+]1 ZINC000334833061 386870339 /nfs/dbraw/zinc/87/03/39/386870339.db2.gz MLXQMHFWYILIHR-QWHCGFSZSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2F)CC[NH2+]1 ZINC000334864590 386919488 /nfs/dbraw/zinc/91/94/88/386919488.db2.gz QLQQWAGLPVDWLO-JQWIXIFHSA-N 2 1 222.307 2.056 20 0 BEADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000334857867 386910733 /nfs/dbraw/zinc/91/07/33/386910733.db2.gz PNQYGSNRRLWTLR-ZANVPECISA-N 2 1 240.297 2.052 20 0 BEADMP CCSCC[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000336763055 386936422 /nfs/dbraw/zinc/93/64/22/386936422.db2.gz LVBBSIQIDMNFGD-CYBMUJFWSA-N 2 1 244.448 2.450 20 0 BEADMP C(C1CCC1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000334978860 387064715 /nfs/dbraw/zinc/06/47/15/387064715.db2.gz CAGYSGDXKAZMOX-KGLIPLIRSA-N 2 1 222.376 2.108 20 0 BEADMP C(C1CCC1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000334978859 387065266 /nfs/dbraw/zinc/06/52/66/387065266.db2.gz CAGYSGDXKAZMOX-KBPBESRZSA-N 2 1 222.376 2.108 20 0 BEADMP CC(C)[C@](C)([NH2+]CC[C@@H]1CCC[N@H+]1C)C(N)=O ZINC000331344256 387016399 /nfs/dbraw/zinc/01/63/99/387016399.db2.gz LECTZHWCMOOBFF-AAEUAGOBSA-N 2 1 241.379 2.010 20 0 BEADMP Cc1nocc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000334943101 387020198 /nfs/dbraw/zinc/02/01/98/387020198.db2.gz MHTFSKNNRHUEJU-UHFFFAOYSA-N 2 1 249.358 2.043 20 0 BEADMP CCOC(C)(C)C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000188692728 387069261 /nfs/dbraw/zinc/06/92/61/387069261.db2.gz WUJZZZZPBOTJEM-OLZOCXBDSA-N 2 1 242.407 2.121 20 0 BEADMP CCOc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000126903833 387072310 /nfs/dbraw/zinc/07/23/10/387072310.db2.gz BAXMBCKYOZUBNV-OCCSQVGLSA-N 2 1 248.370 2.254 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000165980619 387073550 /nfs/dbraw/zinc/07/35/50/387073550.db2.gz XEVXFIWERNPMFQ-ZFWWWQNUSA-N 2 1 232.371 2.288 20 0 BEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000070975625 387085861 /nfs/dbraw/zinc/08/58/61/387085861.db2.gz UXDGEDUUESMTNK-GFCCVEGCSA-N 2 1 236.334 2.387 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000127228949 387100402 /nfs/dbraw/zinc/10/04/02/387100402.db2.gz HPRVDICNGHPYNR-MNOINKQASA-N 2 1 230.355 2.369 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000335006193 387101478 /nfs/dbraw/zinc/10/14/78/387101478.db2.gz BUSLEZPFNVRCLW-WCQYABFASA-N 2 1 222.376 2.297 20 0 BEADMP Cc1cc2cc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])ccc2[nH]1 ZINC000335008155 387102861 /nfs/dbraw/zinc/10/28/61/387102861.db2.gz HCZDQKXOOCMWLP-DZGCQCFKSA-N 2 1 243.354 2.446 20 0 BEADMP Cc1cc2cc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])ccc2[nH]1 ZINC000335008158 387103484 /nfs/dbraw/zinc/10/34/84/387103484.db2.gz HCZDQKXOOCMWLP-ZFWWWQNUSA-N 2 1 243.354 2.446 20 0 BEADMP CC1=CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000335025088 387116954 /nfs/dbraw/zinc/11/69/54/387116954.db2.gz GXTCBZABIDJWPE-ZDUSSCGKSA-N 2 1 208.349 2.123 20 0 BEADMP CC1=CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000335025088 387116958 /nfs/dbraw/zinc/11/69/58/387116958.db2.gz GXTCBZABIDJWPE-ZDUSSCGKSA-N 2 1 208.349 2.123 20 0 BEADMP CC1=CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000335025088 387116962 /nfs/dbraw/zinc/11/69/62/387116962.db2.gz GXTCBZABIDJWPE-ZDUSSCGKSA-N 2 1 208.349 2.123 20 0 BEADMP Cc1cc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000335027317 387120701 /nfs/dbraw/zinc/12/07/01/387120701.db2.gz RRGGUSFNFJTHKW-YIONKMFJSA-N 2 1 245.370 2.071 20 0 BEADMP C[N@@H+](Cc1ccc2c(c1)CCC2)C1CC[NH2+]CC1 ZINC000070499590 387067766 /nfs/dbraw/zinc/06/77/66/387067766.db2.gz PJIGRAZKDIZXHI-UHFFFAOYSA-N 2 1 244.382 2.359 20 0 BEADMP FC(F)(F)CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334980885 387068342 /nfs/dbraw/zinc/06/83/42/387068342.db2.gz PYLFMQUETVPAOO-JTQLQIEISA-N 2 1 236.281 2.014 20 0 BEADMP FC(F)(F)CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334980885 387068348 /nfs/dbraw/zinc/06/83/48/387068348.db2.gz PYLFMQUETVPAOO-JTQLQIEISA-N 2 1 236.281 2.014 20 0 BEADMP CCC[NH2+]CC[NH2+][C@H]1C[C@H](OC)C1(CC)CC ZINC000423310491 387145116 /nfs/dbraw/zinc/14/51/16/387145116.db2.gz NLSJIUNKKAEWEM-STQMWFEESA-N 2 1 242.407 2.169 20 0 BEADMP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423311244 387149349 /nfs/dbraw/zinc/14/93/49/387149349.db2.gz BJRMSADHVBMIRR-HZMBPMFUSA-N 2 1 234.343 2.083 20 0 BEADMP CCC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccnc1 ZINC000423313303 387151553 /nfs/dbraw/zinc/15/15/53/387151553.db2.gz FKPXKDOXYJIXQH-KGLIPLIRSA-N 2 1 233.359 2.250 20 0 BEADMP Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423313445 387151897 /nfs/dbraw/zinc/15/18/97/387151897.db2.gz FUCPGLOQAUNTEX-HUUCEWRRSA-N 2 1 230.355 2.309 20 0 BEADMP CC(C)CSCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400432976 387156167 /nfs/dbraw/zinc/15/61/67/387156167.db2.gz LSZKNVDHCUVMOO-NWDGAFQWSA-N 2 1 230.421 2.106 20 0 BEADMP [NH3+][C@H](C[NH2+][C@@H]1CCc2ccccc21)C1CC1 ZINC000423316507 387156509 /nfs/dbraw/zinc/15/65/09/387156509.db2.gz JSSQSPODHAZMBM-ZIAGYGMSSA-N 2 1 216.328 2.001 20 0 BEADMP [NH3+]CCCC[NH2+][C@H](Cc1ccccc1)C(F)F ZINC000423319435 387162205 /nfs/dbraw/zinc/16/22/05/387162205.db2.gz FHKOZQXZWDSJLE-GFCCVEGCSA-N 2 1 242.313 2.191 20 0 BEADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc2c(c1)COC2 ZINC000423342577 387193089 /nfs/dbraw/zinc/19/30/89/387193089.db2.gz YYFFNRAKVTXZQL-LLVKDONJSA-N 2 1 246.354 2.249 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(OC)c1 ZINC000423321674 387164209 /nfs/dbraw/zinc/16/42/09/387164209.db2.gz NKKLTVFQNFBEHP-HUUCEWRRSA-N 2 1 248.370 2.473 20 0 BEADMP CC(C)[C@@H](Cc1ccccc1)[NH2+][C@H](C)C[NH3+] ZINC000423329172 387174120 /nfs/dbraw/zinc/17/41/20/387174120.db2.gz OOWQZUBVTBXAKC-TZMCWYRMSA-N 2 1 220.360 2.191 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cn1 ZINC000250913934 387177885 /nfs/dbraw/zinc/17/78/85/387177885.db2.gz FSNIWGVXDZPNLP-UXIGCNINSA-N 2 1 247.386 2.208 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cn1 ZINC000250913934 387177888 /nfs/dbraw/zinc/17/78/88/387177888.db2.gz FSNIWGVXDZPNLP-UXIGCNINSA-N 2 1 247.386 2.208 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000423334918 387181400 /nfs/dbraw/zinc/18/14/00/387181400.db2.gz SXQHQARAVFJWRO-OPQQBVKSSA-N 2 1 204.317 2.172 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000423334893 387181993 /nfs/dbraw/zinc/18/19/93/387181993.db2.gz SWZCQTNHALXBBV-KWCYVHTRSA-N 2 1 248.370 2.169 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000423338557 387187567 /nfs/dbraw/zinc/18/75/67/387187567.db2.gz WBMLOCBMBOZUFX-RNCFNFMXSA-N 2 1 222.307 2.214 20 0 BEADMP [NH3+][C@H](C[NH2+][C@@H]1CCCOc2ccccc21)C1CC1 ZINC000423338453 387187923 /nfs/dbraw/zinc/18/79/23/387187923.db2.gz ZFHMDOZNHPKCGL-ZIAGYGMSSA-N 2 1 246.354 2.227 20 0 BEADMP CC[C@H]([NH2+]CC1C[NH2+]C1)c1ccccc1F ZINC000423301249 387132860 /nfs/dbraw/zinc/13/28/60/387132860.db2.gz GVLRIPMXJJAAHK-ZDUSSCGKSA-N 2 1 222.307 2.086 20 0 BEADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423302557 387134637 /nfs/dbraw/zinc/13/46/37/387134637.db2.gz JWCQKRMKPLXLAF-SRVKXCTJSA-N 2 1 210.365 2.153 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CC12CC2 ZINC000418105182 387134723 /nfs/dbraw/zinc/13/47/23/387134723.db2.gz XRMLBYOBTZNSEN-LBPRGKRZSA-N 2 1 231.343 2.037 20 0 BEADMP CC(C)(C)[C@H]1CC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423353891 387205996 /nfs/dbraw/zinc/20/59/96/387205996.db2.gz FFIKPTSZOWRXDZ-GRYCIOLGSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@H]1CCC[C@H](C)C1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423352801 387206234 /nfs/dbraw/zinc/20/62/34/387206234.db2.gz BVSARIMGGQNNGK-SDDRHHMPSA-N 2 1 210.365 2.153 20 0 BEADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)[C@H]1C[C@H]1C ZINC000423357921 387209329 /nfs/dbraw/zinc/20/93/29/387209329.db2.gz IZDHCVOXWWEBEW-FPYNETTCSA-N 2 1 210.365 2.009 20 0 BEADMP Cc1ccncc1[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423357915 387210249 /nfs/dbraw/zinc/21/02/49/387210249.db2.gz IYSWUYQKQJIYHT-CHWSQXEVSA-N 2 1 233.359 2.183 20 0 BEADMP Cc1cc([C@@H](C)[NH2+][C@@H](C)C[NH3+])cc(C)c1F ZINC000423358542 387210644 /nfs/dbraw/zinc/21/06/44/387210644.db2.gz BPFMSWGBTWMINK-WDEREUQCSA-N 2 1 224.323 2.440 20 0 BEADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)[C@H]1C[C@@H]1C ZINC000423357923 387210854 /nfs/dbraw/zinc/21/08/54/387210854.db2.gz IZDHCVOXWWEBEW-PJSNJIKXSA-N 2 1 210.365 2.009 20 0 BEADMP Cc1nocc1C[N@@H+](C)CCCn1ccnc1C ZINC000353511372 387217762 /nfs/dbraw/zinc/21/77/62/387217762.db2.gz BBXKMAQKZPEEQQ-UHFFFAOYSA-N 2 1 248.330 2.010 20 0 BEADMP Cc1nocc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000353511372 387217775 /nfs/dbraw/zinc/21/77/75/387217775.db2.gz BBXKMAQKZPEEQQ-UHFFFAOYSA-N 2 1 248.330 2.010 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000423365573 387218545 /nfs/dbraw/zinc/21/85/45/387218545.db2.gz KLLIEVMRAXJVLY-KCQAQPDRSA-N 2 1 248.370 2.091 20 0 BEADMP CCc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])s1 ZINC000423326249 387229605 /nfs/dbraw/zinc/22/96/05/387229605.db2.gz MLYPYFBXMOCFCE-BDAKNGLRSA-N 2 1 212.362 2.308 20 0 BEADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccco1 ZINC000423373273 387230485 /nfs/dbraw/zinc/23/04/85/387230485.db2.gz WNAFRTFEIUJTNN-GHMZBOCLSA-N 2 1 208.305 2.072 20 0 BEADMP CCc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423420043 387249093 /nfs/dbraw/zinc/24/90/93/387249093.db2.gz BMDNOLAECABQMF-BSLXNSKLSA-N 2 1 230.355 2.117 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000423463611 387311402 /nfs/dbraw/zinc/31/14/02/387311402.db2.gz LKMVYXQPYRKHDN-DGCLKSJQSA-N 2 1 206.333 2.383 20 0 BEADMP CCC1CC([NH2+]C[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000423470894 387316798 /nfs/dbraw/zinc/31/67/98/387316798.db2.gz GZBMUODILBNGDA-HSOILSAZSA-N 2 1 232.318 2.009 20 0 BEADMP Cc1cccc(C[C@@H]([NH2+][C@@H](C)C[NH3+])C2CC2)c1 ZINC000423374776 387254755 /nfs/dbraw/zinc/25/47/55/387254755.db2.gz SZKPFHPQQXFPHG-SWLSCSKDSA-N 2 1 232.371 2.253 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000423381366 387262480 /nfs/dbraw/zinc/26/24/80/387262480.db2.gz ZNQZXEBOOWLPFV-UFBFGSQYSA-N 2 1 224.735 2.264 20 0 BEADMP Cc1occc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000321546100 387271673 /nfs/dbraw/zinc/27/16/73/387271673.db2.gz RHHFNKMFMDMGLY-UHFFFAOYSA-N 2 1 224.348 2.265 20 0 BEADMP Cc1ccnc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000423389337 387274994 /nfs/dbraw/zinc/27/49/94/387274994.db2.gz JIXZBSURWCNQCP-FRRDWIJNSA-N 2 1 233.359 2.039 20 0 BEADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000423433396 387284456 /nfs/dbraw/zinc/28/44/56/387284456.db2.gz CIFCUPUGVHXOAD-AXFHLTTASA-N 2 1 249.358 2.031 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)c1 ZINC000423434560 387285436 /nfs/dbraw/zinc/28/54/36/387285436.db2.gz ODZUYGCBYXXUAU-SPWCGHHHSA-N 2 1 230.355 2.172 20 0 BEADMP CC(C)[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1cccnc1 ZINC000423434598 387285763 /nfs/dbraw/zinc/28/57/63/387285763.db2.gz DATBLIPHCGFNHO-GVXVVHGQSA-N 2 1 221.348 2.104 20 0 BEADMP CC(C)[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1cccnc1 ZINC000423434601 387286945 /nfs/dbraw/zinc/28/69/45/387286945.db2.gz DATBLIPHCGFNHO-MDZLAQPJSA-N 2 1 221.348 2.104 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC000423441057 387289803 /nfs/dbraw/zinc/28/98/03/387289803.db2.gz JASVGWNHYFOLKF-MWODSPESSA-N 2 1 222.307 2.138 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC000423441058 387289967 /nfs/dbraw/zinc/28/99/67/387289967.db2.gz JASVGWNHYFOLKF-RVBZMBCESA-N 2 1 222.307 2.138 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000423440082 387290193 /nfs/dbraw/zinc/29/01/93/387290193.db2.gz AKSVCCJNACQXET-ONGXEEELSA-N 2 1 240.322 2.222 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2sccc21 ZINC000423445851 387294715 /nfs/dbraw/zinc/29/47/15/387294715.db2.gz CCHNRAXOUSEOEO-AHRFKUBPSA-N 2 1 248.395 2.494 20 0 BEADMP Cc1occc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000321738511 387295820 /nfs/dbraw/zinc/29/58/20/387295820.db2.gz YXXHJTKDAIQALF-AGUYFDCRSA-N 2 1 234.343 2.303 20 0 BEADMP Cc1occc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000321738511 387295824 /nfs/dbraw/zinc/29/58/24/387295824.db2.gz YXXHJTKDAIQALF-AGUYFDCRSA-N 2 1 234.343 2.303 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000423447423 387298349 /nfs/dbraw/zinc/29/83/49/387298349.db2.gz OZKLNTJBNJPXND-RUMNANIHSA-N 2 1 236.334 2.384 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCOc2ccccc21 ZINC000423451463 387298755 /nfs/dbraw/zinc/29/87/55/387298755.db2.gz VDXJYBAMJOOLPJ-GMXVVIOVSA-N 2 1 234.343 2.226 20 0 BEADMP Cc1ccsc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000423450360 387300479 /nfs/dbraw/zinc/30/04/79/387300479.db2.gz SRQSWFRVOPYZCF-UTLUCORTSA-N 2 1 212.362 2.443 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1C[C@H]1C ZINC000321768459 387301064 /nfs/dbraw/zinc/30/10/64/387301064.db2.gz DXLMGEWOTBGLPA-SJHCENCUSA-N 2 1 210.365 2.103 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1C[C@H]1C ZINC000321768459 387301070 /nfs/dbraw/zinc/30/10/70/387301070.db2.gz DXLMGEWOTBGLPA-SJHCENCUSA-N 2 1 210.365 2.103 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000423456950 387304246 /nfs/dbraw/zinc/30/42/46/387304246.db2.gz DZABHEVOWDCEEY-SMDDNHRTSA-N 2 1 234.343 2.097 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCCc2ccccc21 ZINC000423456200 387304548 /nfs/dbraw/zinc/30/45/48/387304548.db2.gz DKMGQTHAUHBFPO-JSGCOSHPSA-N 2 1 218.344 2.391 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc21 ZINC000423456217 387304714 /nfs/dbraw/zinc/30/47/14/387304714.db2.gz NLRSXAFEQLQIKF-YDVLKRNPSA-N 2 1 242.366 2.432 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc21 ZINC000423456216 387305048 /nfs/dbraw/zinc/30/50/48/387305048.db2.gz NLRSXAFEQLQIKF-BVEJOUGXSA-N 2 1 242.366 2.432 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000423461018 387309177 /nfs/dbraw/zinc/30/91/77/387309177.db2.gz JFVSBUYPYVSPLS-GXTWGEPZSA-N 2 1 218.344 2.309 20 0 BEADMP Cc1cccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000423524151 387356635 /nfs/dbraw/zinc/35/66/35/387356635.db2.gz SMLWICOAGQLZMR-ZFWWWQNUSA-N 2 1 248.370 2.024 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)[C@@H]1C[C@H]1C ZINC000643502708 387364278 /nfs/dbraw/zinc/36/42/78/387364278.db2.gz ONQDNWGYGCUNON-XQHKEYJVSA-N 2 1 210.365 2.153 20 0 BEADMP C([NH2+][C@@H]1CCC12CCC2)[C@H]1CCCC[NH2+]1 ZINC000643502490 387366481 /nfs/dbraw/zinc/36/64/81/387366481.db2.gz HXQAVGKPQFAFNO-VXGBXAGGSA-N 2 1 208.349 2.051 20 0 BEADMP CCC[C@@H]([NH2+]C[C@H]([NH3+])CC)c1cccnc1 ZINC000423476426 387323877 /nfs/dbraw/zinc/32/38/77/387323877.db2.gz SLMKHJAJAOUSFI-CHWSQXEVSA-N 2 1 221.348 2.250 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000423477907 387324988 /nfs/dbraw/zinc/32/49/88/387324988.db2.gz UFWCDDLDWVQEJC-MFKMUULPSA-N 2 1 234.343 2.097 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](OC)CC1 ZINC000372796285 387328949 /nfs/dbraw/zinc/32/89/49/387328949.db2.gz BSYAWGPEPPWVFK-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)[C@H](C)[NH3+] ZINC000423483426 387329131 /nfs/dbraw/zinc/32/91/31/387329131.db2.gz XTSJWOUEDPKQBP-OPQQBVKSSA-N 2 1 234.343 2.095 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000423482997 387329312 /nfs/dbraw/zinc/32/93/12/387329312.db2.gz XRJJVWWKBFEQDD-IINYFYTJSA-N 2 1 234.343 2.105 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000515125241 387337404 /nfs/dbraw/zinc/33/74/04/387337404.db2.gz KCGJRBXBXVGYOR-PEBLQZBPSA-N 2 1 240.391 2.015 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000515125241 387337408 /nfs/dbraw/zinc/33/74/08/387337408.db2.gz KCGJRBXBXVGYOR-PEBLQZBPSA-N 2 1 240.391 2.015 20 0 BEADMP CC[C@@H](C)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372992403 387338238 /nfs/dbraw/zinc/33/82/38/387338238.db2.gz WYOSFVZSHGKXMG-OLZOCXBDSA-N 2 1 212.381 2.449 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372989618 387338677 /nfs/dbraw/zinc/33/86/77/387338677.db2.gz LFFZDXHCXHFOFA-CYBMUJFWSA-N 2 1 212.381 2.449 20 0 BEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCCC12CC2)C1CC1 ZINC000572379925 387352735 /nfs/dbraw/zinc/35/27/35/387352735.db2.gz ULHJCPHXDRQPOD-CHWSQXEVSA-N 2 1 222.376 2.249 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000515859443 387430379 /nfs/dbraw/zinc/43/03/79/387430379.db2.gz RNBUGZRFWBLHMN-MJBXVCDLSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000515859443 387430383 /nfs/dbraw/zinc/43/03/83/387430383.db2.gz RNBUGZRFWBLHMN-MJBXVCDLSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]CC[NH2+]C1CC1 ZINC000643506663 387462084 /nfs/dbraw/zinc/46/20/84/387462084.db2.gz DUVWDFHESYKZQN-GHMZBOCLSA-N 2 1 210.365 2.153 20 0 BEADMP Cc1ccncc1CN(C)CC[C@@H]1CCC[N@H+]1C ZINC000361411875 387456996 /nfs/dbraw/zinc/45/69/96/387456996.db2.gz CMSAPRLVSLKYCA-HNNXBMFYSA-N 2 1 247.386 2.306 20 0 BEADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000361071064 387395499 /nfs/dbraw/zinc/39/54/99/387395499.db2.gz ZVGFHAZYWLXNTB-MGPQQGTHSA-N 2 1 242.407 2.120 20 0 BEADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000361071063 387396922 /nfs/dbraw/zinc/39/69/22/387396922.db2.gz ZVGFHAZYWLXNTB-MCIONIFRSA-N 2 1 242.407 2.120 20 0 BEADMP C[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)C1CC1 ZINC000643468311 387419251 /nfs/dbraw/zinc/41/92/51/387419251.db2.gz OMBPOJWXNIXIIW-ZJUUUORDSA-N 2 1 219.332 2.191 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccoc1 ZINC000643474794 387496418 /nfs/dbraw/zinc/49/64/18/387496418.db2.gz MHUNDDLMGTWEQU-CMPLNLGQSA-N 2 1 208.305 2.072 20 0 BEADMP C[C@H]1CC[N@@H+](CC2(F)CC2)C[C@@H]1n1ccnc1 ZINC000527220056 387536162 /nfs/dbraw/zinc/53/61/62/387536162.db2.gz RQXBENSFSZHNFW-RYUDHWBXSA-N 2 1 237.322 2.268 20 0 BEADMP CC(C)CC[N@@H+]1C[C@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000310295710 387538070 /nfs/dbraw/zinc/53/80/70/387538070.db2.gz LPKUXBIDYYCYJH-GJZGRUSLSA-N 2 1 232.371 2.459 20 0 BEADMP CC(C)CC[N@H+]1C[C@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000310295710 387538076 /nfs/dbraw/zinc/53/80/76/387538076.db2.gz LPKUXBIDYYCYJH-GJZGRUSLSA-N 2 1 232.371 2.459 20 0 BEADMP C[N@@H+](CC1CC1)C[C@H]1CCN(CC2(F)CC2)C1 ZINC000527219398 387538530 /nfs/dbraw/zinc/53/85/30/387538530.db2.gz WUWBHSYVJPIPOJ-CYBMUJFWSA-N 2 1 240.366 2.152 20 0 BEADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507508 387476819 /nfs/dbraw/zinc/47/68/19/387476819.db2.gz HADBKCAVTGFHKI-CMPLNLGQSA-N 2 1 210.365 2.153 20 0 BEADMP C(C[NH2+][C@H]1CCC12CCCC2)[NH2+]C1CC1 ZINC000643507556 387477387 /nfs/dbraw/zinc/47/73/87/387477387.db2.gz IDDHYRAGYCUBNU-LBPRGKRZSA-N 2 1 208.349 2.051 20 0 BEADMP C[C@H](CC1CCCC1)[NH2+]CC[NH2+]C1CC1 ZINC000643507320 387478037 /nfs/dbraw/zinc/47/80/37/387478037.db2.gz ZBZRTQSGGSSQBJ-LLVKDONJSA-N 2 1 210.365 2.297 20 0 BEADMP CC[C@H]1CCCC[C@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507768 387479335 /nfs/dbraw/zinc/47/93/35/387479335.db2.gz PBAZKKZVOOQBQF-WCQYABFASA-N 2 1 210.365 2.297 20 0 BEADMP C(C[NH2+][C@@H]1CCCC12CCCC2)[NH2+]C1CC1 ZINC000643507917 387482746 /nfs/dbraw/zinc/48/27/46/387482746.db2.gz WBEWBPIUBMAPRI-CYBMUJFWSA-N 2 1 222.376 2.441 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCCCF)C[C@@H]21 ZINC000304454835 387483067 /nfs/dbraw/zinc/48/30/67/387483067.db2.gz YQCXOTJPHUITKO-RWMBFGLXSA-N 2 1 228.355 2.185 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCCCF)C[C@H]21 ZINC000304454834 387483700 /nfs/dbraw/zinc/48/37/00/387483700.db2.gz YQCXOTJPHUITKO-JHJVBQTASA-N 2 1 228.355 2.185 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1CCCCC1 ZINC000396699297 387485656 /nfs/dbraw/zinc/48/56/56/387485656.db2.gz KSGLJVOKWHGDRC-DGCLKSJQSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CC[NH2+]C2CC2)C[C@@H]1C ZINC000643507449 387486154 /nfs/dbraw/zinc/48/61/54/387486154.db2.gz DVVLDBBQSBMIOM-MDZLAQPJSA-N 2 1 210.365 2.153 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000643514589 387598791 /nfs/dbraw/zinc/59/87/91/387598791.db2.gz WMUMUCUMRNRPCO-XQQFMLRXSA-N 2 1 228.380 2.051 20 0 BEADMP CCC[NH2+]CC[NH2+][C@H](C)CCc1ccco1 ZINC000643515380 387601012 /nfs/dbraw/zinc/60/10/12/387601012.db2.gz YGQNNHDKNANGAR-GFCCVEGCSA-N 2 1 224.348 2.190 20 0 BEADMP COCCCCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422640735 387609890 /nfs/dbraw/zinc/60/98/90/387609890.db2.gz WAARMPRBJJSJSQ-RDBSUJKOSA-N 2 1 242.407 2.108 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(N)c2)C[C@H]1C[NH3+] ZINC000422641333 387610852 /nfs/dbraw/zinc/61/08/52/387610852.db2.gz XQUJCNFXBUZMJN-MBNYWOFBSA-N 2 1 247.386 2.074 20 0 BEADMP COCCCCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422640734 387611097 /nfs/dbraw/zinc/61/10/97/387611097.db2.gz WAARMPRBJJSJSQ-MJBXVCDLSA-N 2 1 242.407 2.108 20 0 BEADMP C[C@H]([NH2+]CC(C)(C)C)c1c[nH+]ccc1N ZINC000422705778 387619910 /nfs/dbraw/zinc/61/99/10/387619910.db2.gz SEAVIQZJCCYADZ-VIFPVBQESA-N 2 1 207.321 2.191 20 0 BEADMP CCc1ccc(CC[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000430543799 387627175 /nfs/dbraw/zinc/62/71/75/387627175.db2.gz MXROTKQIJBOGKS-HNNXBMFYSA-N 2 1 232.371 2.215 20 0 BEADMP CCc1ccc(CC[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000430543799 387627179 /nfs/dbraw/zinc/62/71/79/387627179.db2.gz MXROTKQIJBOGKS-HNNXBMFYSA-N 2 1 232.371 2.215 20 0 BEADMP CCC(CC)[C@H](C[NH2+]C1CCOCC1)[NH+](C)C ZINC000036304525 387555374 /nfs/dbraw/zinc/55/53/74/387555374.db2.gz GZTIIMWVSDKEEU-AWEZNQCLSA-N 2 1 242.407 2.121 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCc1ccc(C)cc1 ZINC000430549738 387627313 /nfs/dbraw/zinc/62/73/13/387627313.db2.gz NPCZTKRPWZMKNW-HNNXBMFYSA-N 2 1 232.371 2.221 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCc1ccc(C)cc1 ZINC000430549738 387627317 /nfs/dbraw/zinc/62/73/17/387627317.db2.gz NPCZTKRPWZMKNW-HNNXBMFYSA-N 2 1 232.371 2.221 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)nc1 ZINC000399681351 387566248 /nfs/dbraw/zinc/56/62/48/387566248.db2.gz QMRKWKXDZGXPJN-UKRRQHHQSA-N 2 1 247.386 2.005 20 0 BEADMP CSCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375757182 387579608 /nfs/dbraw/zinc/57/96/08/387579608.db2.gz YHXBUFCOQMFEHN-FUNVUKJBSA-N 2 1 242.432 2.297 20 0 BEADMP CSCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375757182 387579610 /nfs/dbraw/zinc/57/96/10/387579610.db2.gz YHXBUFCOQMFEHN-FUNVUKJBSA-N 2 1 242.432 2.297 20 0 BEADMP CSCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375757182 387579613 /nfs/dbraw/zinc/57/96/13/387579613.db2.gz YHXBUFCOQMFEHN-FUNVUKJBSA-N 2 1 242.432 2.297 20 0 BEADMP CC(C)C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422730221 387637919 /nfs/dbraw/zinc/63/79/19/387637919.db2.gz JHJSMYNCAOHFPI-OCCSQVGLSA-N 2 1 220.360 2.191 20 0 BEADMP CC(C)CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422735839 387643662 /nfs/dbraw/zinc/64/36/62/387643662.db2.gz WUCHUONLJVGLAE-SNVBAGLBSA-N 2 1 207.321 2.191 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000527639397 387647936 /nfs/dbraw/zinc/64/79/36/387647936.db2.gz CAKNMCPHBNGGHK-JURCDPSOSA-N 2 1 236.403 2.352 20 0 BEADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccoc1 ZINC000643518388 387649311 /nfs/dbraw/zinc/64/93/11/387649311.db2.gz BQXDRCOEGBOIPH-AAEUAGOBSA-N 2 1 222.332 2.320 20 0 BEADMP C[C@H]([NH2+]Cc1cccs1)c1c[nH+]ccc1N ZINC000422749721 387654862 /nfs/dbraw/zinc/65/48/62/387654862.db2.gz APDBNIUHBWVBEU-VIFPVBQESA-N 2 1 233.340 2.406 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000125465169 387656137 /nfs/dbraw/zinc/65/61/37/387656137.db2.gz LLAYEOXJBXUEQP-UONOGXRCSA-N 2 1 222.376 2.226 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527651242 387660889 /nfs/dbraw/zinc/66/08/89/387660889.db2.gz UZZDHEXOYLRVED-BPNCWPANSA-N 2 1 233.359 2.216 20 0 BEADMP CS[C@@H]1CCC[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422765324 387664971 /nfs/dbraw/zinc/66/49/71/387664971.db2.gz QUNNGYQJEJTONA-XQHKEYJVSA-N 2 1 242.432 2.248 20 0 BEADMP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422765323 387666622 /nfs/dbraw/zinc/66/66/22/387666622.db2.gz QUNNGYQJEJTONA-WUHRBBMRSA-N 2 1 242.432 2.248 20 0 BEADMP Cc1ccoc1CN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000126487419 387685395 /nfs/dbraw/zinc/68/53/95/387685395.db2.gz IJCGIPFSZWGPGO-RYUDHWBXSA-N 2 1 222.332 2.018 20 0 BEADMP Cc1ccoc1C[NH2+][C@H]1CCN(C)C[C@@H]1C ZINC000126487419 387685403 /nfs/dbraw/zinc/68/54/03/387685403.db2.gz IJCGIPFSZWGPGO-RYUDHWBXSA-N 2 1 222.332 2.018 20 0 BEADMP CCc1ccccc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422786381 387687155 /nfs/dbraw/zinc/68/71/55/387687155.db2.gz QIISXFFQIMKBPG-KBPBESRZSA-N 2 1 218.344 2.218 20 0 BEADMP CCSCC[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000377126583 387692005 /nfs/dbraw/zinc/69/20/05/387692005.db2.gz KJTVNKQYZBMLQC-OLZOCXBDSA-N 2 1 242.432 2.156 20 0 BEADMP CCSCC[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000377126583 387692010 /nfs/dbraw/zinc/69/20/10/387692010.db2.gz KJTVNKQYZBMLQC-OLZOCXBDSA-N 2 1 242.432 2.156 20 0 BEADMP CCSCC[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000377126583 387692013 /nfs/dbraw/zinc/69/20/13/387692013.db2.gz KJTVNKQYZBMLQC-OLZOCXBDSA-N 2 1 242.432 2.156 20 0 BEADMP CCSCC[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000377126582 387692748 /nfs/dbraw/zinc/69/27/48/387692748.db2.gz KJTVNKQYZBMLQC-CHWSQXEVSA-N 2 1 242.432 2.156 20 0 BEADMP CCSCC[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000377126582 387692752 /nfs/dbraw/zinc/69/27/52/387692752.db2.gz KJTVNKQYZBMLQC-CHWSQXEVSA-N 2 1 242.432 2.156 20 0 BEADMP CCSCC[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000377126582 387692756 /nfs/dbraw/zinc/69/27/56/387692756.db2.gz KJTVNKQYZBMLQC-CHWSQXEVSA-N 2 1 242.432 2.156 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCOc1ccccc1 ZINC000422792635 387693864 /nfs/dbraw/zinc/69/38/64/387693864.db2.gz RELSGANBDXBKGA-DZGCQCFKSA-N 2 1 248.370 2.043 20 0 BEADMP Cc1cc([C@H](C)[NH2+]C[C@H](C)[NH3+])c(C)s1 ZINC000643526332 387749961 /nfs/dbraw/zinc/74/99/61/387749961.db2.gz ZVVHNWZJWZURQO-CBAPKCEASA-N 2 1 212.362 2.363 20 0 BEADMP CO[C@H](C)[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000128553968 387750860 /nfs/dbraw/zinc/75/08/60/387750860.db2.gz IJROWCHYEGUBNK-HZSPNIEDSA-N 2 1 242.407 2.264 20 0 BEADMP CCOc1cc(C)ccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422872493 387753095 /nfs/dbraw/zinc/75/30/95/387753095.db2.gz HHTVNTWVFMTAPA-GFCCVEGCSA-N 2 1 248.370 2.091 20 0 BEADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cccc(Cl)c1 ZINC000643525767 387753423 /nfs/dbraw/zinc/75/34/23/387753423.db2.gz FBBSEPCXVSRNCL-DTWKUNHWSA-N 2 1 212.724 2.338 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCSc2ccccc21 ZINC000643526081 387754171 /nfs/dbraw/zinc/75/41/71/387754171.db2.gz OVXPAYCHWLZDHM-GXSJLCMTSA-N 2 1 222.357 2.160 20 0 BEADMP CC[C@H](F)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000440794357 387703144 /nfs/dbraw/zinc/70/31/44/387703144.db2.gz YWIRSZCHBBCMLD-FRRDWIJNSA-N 2 1 228.355 2.151 20 0 BEADMP CC[C@H](F)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000440794357 387703145 /nfs/dbraw/zinc/70/31/45/387703145.db2.gz YWIRSZCHBBCMLD-FRRDWIJNSA-N 2 1 228.355 2.151 20 0 BEADMP CC[C@H](F)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000440794357 387703149 /nfs/dbraw/zinc/70/31/49/387703149.db2.gz YWIRSZCHBBCMLD-FRRDWIJNSA-N 2 1 228.355 2.151 20 0 BEADMP CC[C@H](F)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000440794357 387703150 /nfs/dbraw/zinc/70/31/50/387703150.db2.gz YWIRSZCHBBCMLD-FRRDWIJNSA-N 2 1 228.355 2.151 20 0 BEADMP CC[C@H]([NH2+]CCc1ccsc1)[C@@H]1CCC[NH2+]1 ZINC000422809118 387707174 /nfs/dbraw/zinc/70/71/74/387707174.db2.gz PGBYFBGBSZTJAO-STQMWFEESA-N 2 1 238.400 2.411 20 0 BEADMP C[C@@H]([NH2+]CC1(c2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422809696 387707294 /nfs/dbraw/zinc/70/72/94/387707294.db2.gz MNVVDSSSBDVCGV-UKRRQHHQSA-N 2 1 244.382 2.448 20 0 BEADMP C[C@H]([NH2+]CCc1ccsc1)c1c[nH+]ccc1N ZINC000422810631 387707557 /nfs/dbraw/zinc/70/75/57/387707557.db2.gz RZWKLWRVOOYEDX-JTQLQIEISA-N 2 1 247.367 2.449 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000422809982 387707642 /nfs/dbraw/zinc/70/76/42/387707642.db2.gz MXLDHRPNOQDGIK-DZGCQCFKSA-N 2 1 244.382 2.306 20 0 BEADMP C[C@H](Cc1cccs1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000643520929 387708738 /nfs/dbraw/zinc/70/87/38/387708738.db2.gz DUXMWGLGVSCPNR-NQBHXWOUSA-N 2 1 238.400 2.267 20 0 BEADMP CO[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)C(C)(C)C ZINC000422813737 387711850 /nfs/dbraw/zinc/71/18/50/387711850.db2.gz SHSKBMYANXIAOY-JHJVBQTASA-N 2 1 242.407 2.168 20 0 BEADMP CO[C@@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)C(C)(C)C ZINC000422813734 387711869 /nfs/dbraw/zinc/71/18/69/387711869.db2.gz SHSKBMYANXIAOY-AGIUHOORSA-N 2 1 242.407 2.168 20 0 BEADMP CCO[C@H](CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000422814300 387712148 /nfs/dbraw/zinc/71/21/48/387712148.db2.gz UFQDSVVEBQCIBZ-BFHYXJOUSA-N 2 1 242.407 2.025 20 0 BEADMP Cc1ncc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000643525846 387755350 /nfs/dbraw/zinc/75/53/50/387755350.db2.gz UVFYJYQSZYVPTP-QXEWZRGKSA-N 2 1 239.388 2.243 20 0 BEADMP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000422824500 387720467 /nfs/dbraw/zinc/72/04/67/387720467.db2.gz NWDHSLRWNRGWDR-BZPMIXESSA-N 2 1 248.370 2.139 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCCS1)[C@@H]1CCCC[NH2+]1 ZINC000422876869 387755723 /nfs/dbraw/zinc/75/57/23/387755723.db2.gz QUWKHNBHAHUXKQ-WOPDTQHZSA-N 2 1 228.405 2.002 20 0 BEADMP C[C@@H](F)CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000452092425 387732225 /nfs/dbraw/zinc/73/22/25/387732225.db2.gz DIZGYRPXYKYNIL-LLVKDONJSA-N 2 1 216.344 2.199 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CC12CC2 ZINC000527864753 387737302 /nfs/dbraw/zinc/73/73/02/387737302.db2.gz KLOGLHBIYSUOHG-XQHKEYJVSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CC12CC2 ZINC000527864753 387737308 /nfs/dbraw/zinc/73/73/08/387737308.db2.gz KLOGLHBIYSUOHG-XQHKEYJVSA-N 2 1 222.376 2.247 20 0 BEADMP Cc1ncc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)s1 ZINC000643524912 387741393 /nfs/dbraw/zinc/74/13/93/387741393.db2.gz WOPIDDIKRMEFHB-YWVKMMECSA-N 2 1 239.388 2.100 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000643527533 387766703 /nfs/dbraw/zinc/76/67/03/387766703.db2.gz OFGAILHCUQNNHB-TVQRCGJNSA-N 2 1 222.307 2.140 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000643528849 387771662 /nfs/dbraw/zinc/77/16/62/387771662.db2.gz QESSTFQQGSKVFW-GHMZBOCLSA-N 2 1 218.344 2.173 20 0 BEADMP Cc1cc([C@H](C)[NH2+]C[C@@H](C)[NH3+])cc(C)c1F ZINC000643529074 387773700 /nfs/dbraw/zinc/77/37/00/387773700.db2.gz UKJONSPXGRJHEN-MNOVXSKESA-N 2 1 224.323 2.440 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000643528167 387774354 /nfs/dbraw/zinc/77/43/54/387774354.db2.gz DUFHKGIIYBRKKM-SMDDNHRTSA-N 2 1 218.344 2.465 20 0 BEADMP C[C@@H]([NH2+]CCC(F)(F)F)c1c[nH+]ccc1N ZINC000422919573 387775450 /nfs/dbraw/zinc/77/54/50/387775450.db2.gz KBEAZTJUEZGVIP-SSDOTTSWSA-N 2 1 233.237 2.097 20 0 BEADMP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])c(C)c1 ZINC000643529684 387776304 /nfs/dbraw/zinc/77/63/04/387776304.db2.gz NCJKJDRTWCYZKQ-GHMZBOCLSA-N 2 1 222.332 2.001 20 0 BEADMP CC[NH2+][C@H](C)C[NH2+][C@@H](C)Cc1cccs1 ZINC000643529673 387776633 /nfs/dbraw/zinc/77/66/33/387776633.db2.gz LNXLVMZEGIZNMD-WDEREUQCSA-N 2 1 226.389 2.267 20 0 BEADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643529414 387776901 /nfs/dbraw/zinc/77/69/01/387776901.db2.gz ZLYUGGCPTWEZDH-VXGBXAGGSA-N 2 1 236.359 2.472 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC2CC=CC2)[C@@H]2CCC[C@H]21 ZINC000527944014 387782187 /nfs/dbraw/zinc/78/21/87/387782187.db2.gz BDROIXWANAGQGV-SOUVJXGZSA-N 2 1 234.387 2.415 20 0 BEADMP CC(C)[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432419046 387789552 /nfs/dbraw/zinc/78/95/52/387789552.db2.gz YNWDYLQKTANEIR-KBPBESRZSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432419046 387789556 /nfs/dbraw/zinc/78/95/56/387789556.db2.gz YNWDYLQKTANEIR-KBPBESRZSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)Oc1ccccc1 ZINC000422980138 387792131 /nfs/dbraw/zinc/79/21/31/387792131.db2.gz KZIDMKTVSVYNAZ-UMVBOHGHSA-N 2 1 248.370 2.184 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422952046 387807484 /nfs/dbraw/zinc/80/74/84/387807484.db2.gz BKXJXRBHMZLXST-ZDEQEGDKSA-N 2 1 210.365 2.153 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CC23CC3)C1 ZINC000527855960 387757380 /nfs/dbraw/zinc/75/73/80/387757380.db2.gz XKJUXRAHAQPYRP-MGPQQGTHSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CC12CC2 ZINC000527853004 387757824 /nfs/dbraw/zinc/75/78/24/387757824.db2.gz SAOAJRMNZLNELG-REWJHTLYSA-N 2 1 234.387 2.391 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CC12CC2 ZINC000527853004 387757831 /nfs/dbraw/zinc/75/78/31/387757831.db2.gz SAOAJRMNZLNELG-REWJHTLYSA-N 2 1 234.387 2.391 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000643526899 387759904 /nfs/dbraw/zinc/75/99/04/387759904.db2.gz BFRABKHSKSZLDM-BHDSKKPTSA-N 2 1 236.334 2.386 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000643527039 387760860 /nfs/dbraw/zinc/76/08/60/387760860.db2.gz CFBIPNJURWATFP-GWCFXTLKSA-N 2 1 204.317 2.075 20 0 BEADMP C[C@H]([NH3+])C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000442665633 387820046 /nfs/dbraw/zinc/82/00/46/387820046.db2.gz PUPUJQPWZITGMH-WCQYABFASA-N 2 1 236.334 2.037 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000442665633 387820050 /nfs/dbraw/zinc/82/00/50/387820050.db2.gz PUPUJQPWZITGMH-WCQYABFASA-N 2 1 236.334 2.037 20 0 BEADMP COCC(C)(C)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432815291 387828571 /nfs/dbraw/zinc/82/85/71/387828571.db2.gz FGQPPZDKXWEQDH-ZDUSSCGKSA-N 2 1 242.407 2.075 20 0 BEADMP CC(C)CSCCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423009563 387833848 /nfs/dbraw/zinc/83/38/48/387833848.db2.gz DJALZZCDZUMZMM-QWHCGFSZSA-N 2 1 244.448 2.353 20 0 BEADMP Cc1ccc(CC[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000442763708 387834848 /nfs/dbraw/zinc/83/48/48/387834848.db2.gz JBIZKZFUJNSJKW-DZGCQCFKSA-N 2 1 232.371 2.207 20 0 BEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1[C@H]1CCc2ccc(F)cc21 ZINC000442779850 387839127 /nfs/dbraw/zinc/83/91/27/387839127.db2.gz JQVCJFMBVCIOKL-ZETOZRRWSA-N 2 1 248.345 2.482 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC12CCC(CC1)C2 ZINC000423018207 387841450 /nfs/dbraw/zinc/84/14/50/387841450.db2.gz YKSITDLEHKWFFB-NELGMTEASA-N 2 1 222.376 2.154 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC12CCCC2)[C@H]1CCC[NH2+]1 ZINC000423075356 387873836 /nfs/dbraw/zinc/87/38/36/387873836.db2.gz OGLNIVZLJCSARS-UTUOFQBUSA-N 2 1 208.349 2.049 20 0 BEADMP CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423042240 387854536 /nfs/dbraw/zinc/85/45/36/387854536.db2.gz YTGLDEJHWUOTKF-UTLUCORTSA-N 2 1 238.297 2.448 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC12CCCC2)[C@@H]1CCC[NH2+]1 ZINC000423075357 387874444 /nfs/dbraw/zinc/87/44/44/387874444.db2.gz OGLNIVZLJCSARS-WOPDTQHZSA-N 2 1 208.349 2.049 20 0 BEADMP CSC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000193817228 387866870 /nfs/dbraw/zinc/86/68/70/387866870.db2.gz NBGNJHOIPXNNRE-YOGCLGLASA-N 2 1 240.416 2.097 20 0 BEADMP CC(C)OCCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000158075314 387891031 /nfs/dbraw/zinc/89/10/31/387891031.db2.gz UNKZEOSFEYFGEH-AWEZNQCLSA-N 2 1 242.407 2.075 20 0 BEADMP Cc1cccc(CCC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)n1 ZINC000423113386 387896328 /nfs/dbraw/zinc/89/63/28/387896328.db2.gz YQKXQOKPUMYHDW-HIFRSBDPSA-N 2 1 247.386 2.053 20 0 BEADMP C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)[C@H]1CCCC[NH2+]1 ZINC000643460408 387875690 /nfs/dbraw/zinc/87/56/90/387875690.db2.gz ZYXDZLHLFCCFAZ-UMVBOHGHSA-N 2 1 247.386 2.305 20 0 BEADMP C[C@@H]([NH2+]CC1(C(F)(F)F)CC1)[C@@H]1CCC[NH2+]1 ZINC000423116042 387899000 /nfs/dbraw/zinc/89/90/00/387899000.db2.gz ZIVPPHMHOJSBNL-BDAKNGLRSA-N 2 1 236.281 2.059 20 0 BEADMP CC[C@](C)(C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)OC ZINC000322518375 387878602 /nfs/dbraw/zinc/87/86/02/387878602.db2.gz KYEOBZAGSICWPT-MGPQQGTHSA-N 2 1 240.391 2.018 20 0 BEADMP CC[C@](C)(C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)OC ZINC000322518375 387878606 /nfs/dbraw/zinc/87/86/06/387878606.db2.gz KYEOBZAGSICWPT-MGPQQGTHSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000423101961 387888820 /nfs/dbraw/zinc/88/88/20/387888820.db2.gz WROPMGPYDGAQOJ-OUAUKWLOSA-N 2 1 232.318 2.009 20 0 BEADMP Cc1ccc(F)c(C[N@@H+](C)CCn2ccnc2)c1 ZINC000444741457 387918379 /nfs/dbraw/zinc/91/83/79/387918379.db2.gz URURXKHXIJDZQF-UHFFFAOYSA-N 2 1 247.317 2.463 20 0 BEADMP Cc1ccc(F)c(CN(C)CCn2ccnc2)c1 ZINC000444741457 387918381 /nfs/dbraw/zinc/91/83/81/387918381.db2.gz URURXKHXIJDZQF-UHFFFAOYSA-N 2 1 247.317 2.463 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000423131758 387909677 /nfs/dbraw/zinc/90/96/77/387909677.db2.gz IKXRHERYUJERJL-XVSSEFHLSA-N 2 1 224.392 2.399 20 0 BEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C)o2)C1 ZINC000236865414 387911196 /nfs/dbraw/zinc/91/11/96/387911196.db2.gz YYEBBXJGFFEWBS-CYBMUJFWSA-N 2 1 236.359 2.410 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C)o2)C1 ZINC000236865414 387911200 /nfs/dbraw/zinc/91/12/00/387911200.db2.gz YYEBBXJGFFEWBS-CYBMUJFWSA-N 2 1 236.359 2.410 20 0 BEADMP CC/C=C\C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423155075 387935488 /nfs/dbraw/zinc/93/54/88/387935488.db2.gz ITJYVUSLZHXWCS-LWTINBJPSA-N 2 1 205.305 2.111 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000423157244 387936733 /nfs/dbraw/zinc/93/67/33/387936733.db2.gz VBMJNCFXNOQIPI-VWYCJHECSA-N 2 1 232.318 2.009 20 0 BEADMP CC[C@H]([NH2+]C1CC(C)(F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423144903 387922524 /nfs/dbraw/zinc/92/25/24/387922524.db2.gz IGECKRFHQYLHCX-ZFQMDJOTSA-N 2 1 228.355 2.387 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)C1CCC1 ZINC000423150243 387927828 /nfs/dbraw/zinc/92/78/28/387927828.db2.gz ILYQAMUGHOCHQA-WCQYABFASA-N 2 1 224.392 2.400 20 0 BEADMP Cc1ccc(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)nc1 ZINC000423168350 387951762 /nfs/dbraw/zinc/95/17/62/387951762.db2.gz ULGWBKCDRWUWAQ-UKRRQHHQSA-N 2 1 247.386 2.053 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCC[C@H]1C1CC1 ZINC000423171530 387955968 /nfs/dbraw/zinc/95/59/68/387955968.db2.gz OUSNPZCBYBAXGX-RZFFKMDDSA-N 2 1 236.403 2.400 20 0 BEADMP CC(C)C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044535010 387938058 /nfs/dbraw/zinc/93/80/58/387938058.db2.gz PFZADHSVZZJEMN-CHWSQXEVSA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)C1 ZINC000423158848 387938213 /nfs/dbraw/zinc/93/82/13/387938213.db2.gz DPMDUDUZGHIITB-SDDRHHMPSA-N 2 1 249.358 2.101 20 0 BEADMP CC(C)(C)c1ccncc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423171048 387957935 /nfs/dbraw/zinc/95/79/35/387957935.db2.gz NGPDSKQSVFBGMB-KGLIPLIRSA-N 2 1 247.386 2.349 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1C1CC1 ZINC000423171531 387958941 /nfs/dbraw/zinc/95/89/41/387958941.db2.gz OUSNPZCBYBAXGX-UNQGMJICSA-N 2 1 236.403 2.400 20 0 BEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CC1(C)C ZINC000423171929 387959660 /nfs/dbraw/zinc/95/96/60/387959660.db2.gz QNULUENBKBLQMY-BNOWGMLFSA-N 2 1 232.371 2.333 20 0 BEADMP CC(C)[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156369315 387963007 /nfs/dbraw/zinc/96/30/07/387963007.db2.gz YKSVDSMVMMQRMJ-JHJVBQTASA-N 2 1 212.381 2.351 20 0 BEADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423178356 387963243 /nfs/dbraw/zinc/96/32/43/387963243.db2.gz BVSARIMGGQNNGK-XQHKEYJVSA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423180560 387966380 /nfs/dbraw/zinc/96/63/80/387966380.db2.gz FFIKPTSZOWRXDZ-TUAOUCFPSA-N 2 1 210.365 2.153 20 0 BEADMP FCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423186525 387972283 /nfs/dbraw/zinc/97/22/83/387972283.db2.gz KFPNQBQZAQQYRB-XQQFMLRXSA-N 2 1 228.355 2.246 20 0 BEADMP C[C@@H]([NH2+]CC[NH3+])[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423181902 387968605 /nfs/dbraw/zinc/96/86/05/387968605.db2.gz JUTMRDUZQPSRFZ-HRDYMLBCSA-N 2 1 244.791 2.442 20 0 BEADMP FCCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423186524 387972339 /nfs/dbraw/zinc/97/23/39/387972339.db2.gz KFPNQBQZAQQYRB-RWMBFGLXSA-N 2 1 228.355 2.246 20 0 BEADMP CC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1CC1 ZINC000423193988 387979496 /nfs/dbraw/zinc/97/94/96/387979496.db2.gz XWBASJHFZIWAPJ-HNNXBMFYSA-N 2 1 247.386 2.340 20 0 BEADMP Cc1ccc([C@@H]([NH2+]CC[NH3+])C2CCC2)cc1 ZINC000423195610 387980520 /nfs/dbraw/zinc/98/05/20/387980520.db2.gz ZQSIQJPHVCKIAU-AWEZNQCLSA-N 2 1 218.344 2.385 20 0 BEADMP [NH3+]CC[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000423189706 387973678 /nfs/dbraw/zinc/97/36/78/387973678.db2.gz RBTASTZMDITWRT-CYBMUJFWSA-N 2 1 238.762 2.209 20 0 BEADMP C[NH+](C)[C@@H](C[NH2+][C@H](C1CC1)C1CCC1)C1CC1 ZINC000453059354 387974547 /nfs/dbraw/zinc/97/45/47/387974547.db2.gz KYHNIVGCRXBIMN-GJZGRUSLSA-N 2 1 236.403 2.495 20 0 BEADMP Fc1cncc([C@@H]([NH2+]C2CC[NH2+]CC2)C2CC2)c1 ZINC000423190168 387975450 /nfs/dbraw/zinc/97/54/50/387975450.db2.gz SBHLEDYCWUPWQE-AWEZNQCLSA-N 2 1 249.333 2.013 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1c[nH+]ccc1N ZINC000423191469 387976109 /nfs/dbraw/zinc/97/61/09/387976109.db2.gz SZZCQPFLHYXIIX-OPQQBVKSSA-N 2 1 243.310 2.294 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2=CCCC2)C1 ZINC000645812119 387978246 /nfs/dbraw/zinc/97/82/46/387978246.db2.gz NLCBMWPUQYZOGV-AWEZNQCLSA-N 2 1 222.376 2.370 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC2=CCCC2)C1 ZINC000645812119 387978251 /nfs/dbraw/zinc/97/82/51/387978251.db2.gz NLCBMWPUQYZOGV-AWEZNQCLSA-N 2 1 222.376 2.370 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2=CCCC2)C1 ZINC000645812119 387978255 /nfs/dbraw/zinc/97/82/55/387978255.db2.gz NLCBMWPUQYZOGV-AWEZNQCLSA-N 2 1 222.376 2.370 20 0 BEADMP [NH3+]CC[NH2+][C@@H]1CCC[C@@H]1CCc1ccccc1 ZINC000423192456 387978191 /nfs/dbraw/zinc/97/81/91/387978191.db2.gz VLMQWCPZVZMARG-HUUCEWRRSA-N 2 1 232.371 2.336 20 0 BEADMP [NH3+]CC[NH2+][C@H]1CCC[C@H]1CCc1ccccc1 ZINC000423192455 387978256 /nfs/dbraw/zinc/97/82/56/387978256.db2.gz VLMQWCPZVZMARG-GJZGRUSLSA-N 2 1 232.371 2.336 20 0 BEADMP C[C@@H]([NH2+]CC(C)(C)c1cccnc1)[C@H]1CCC[NH2+]1 ZINC000423196323 387982635 /nfs/dbraw/zinc/98/26/35/387982635.db2.gz ZJJJVTLQCKMHAG-TZMCWYRMSA-N 2 1 247.386 2.089 20 0 BEADMP C[NH2+]CCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000423200322 387986064 /nfs/dbraw/zinc/98/60/64/387986064.db2.gz LUSUGARABKPXMZ-ZDUSSCGKSA-N 2 1 234.343 2.099 20 0 BEADMP C[NH2+]CCC[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000423200953 387987042 /nfs/dbraw/zinc/98/70/42/387987042.db2.gz NPVFDLUWJXZKSG-QMMMGPOBSA-N 2 1 246.276 2.364 20 0 BEADMP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156563905 387997994 /nfs/dbraw/zinc/99/79/94/387997994.db2.gz PAWOYKSXATUMDQ-YNEHKIRRSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156563905 387997999 /nfs/dbraw/zinc/99/79/99/387997999.db2.gz PAWOYKSXATUMDQ-YNEHKIRRSA-N 2 1 212.381 2.493 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424375934 387999207 /nfs/dbraw/zinc/99/92/07/387999207.db2.gz KUSMSFOZPDDWJO-DOERSZECSA-N 2 1 222.376 2.010 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)c1cncs1)[C@H]1CCC[NH2+]C1 ZINC000423216171 387999400 /nfs/dbraw/zinc/99/94/00/387999400.db2.gz NZVOJBSXWIWFAA-VWYCJHECSA-N 2 1 239.388 2.182 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423217068 388000508 /nfs/dbraw/zinc/00/05/08/388000508.db2.gz RLRVFSRIVJMSES-UNQGMJICSA-N 2 1 230.355 2.130 20 0 BEADMP Cc1cncc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423220777 388002713 /nfs/dbraw/zinc/00/27/13/388002713.db2.gz YTORJSVFMDFJMQ-SQPSOYEMSA-N 2 1 245.370 2.324 20 0 BEADMP C[NH2+]CC[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000423222484 388003874 /nfs/dbraw/zinc/00/38/74/388003874.db2.gz BGODMHYNRYOMIM-RYUDHWBXSA-N 2 1 212.381 2.400 20 0 BEADMP Cc1ccccc1[C@@H]([NH2+]CC[NH3+])C(C)C ZINC000420397860 387996590 /nfs/dbraw/zinc/99/65/90/387996590.db2.gz GLNWSCDEGHTMMU-ZDUSSCGKSA-N 2 1 206.333 2.240 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@@H](CC(C)C)C1 ZINC000423240004 388024543 /nfs/dbraw/zinc/02/45/43/388024543.db2.gz GRIUCJUMDHZBOH-QWHCGFSZSA-N 2 1 212.381 2.400 20 0 BEADMP C[NH2+]CC[NH2+][C@H]1CC[C@@H](CCC(C)C)C1 ZINC000423240997 388024653 /nfs/dbraw/zinc/02/46/53/388024653.db2.gz HPARBXCEGDGTJI-OLZOCXBDSA-N 2 1 212.381 2.400 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000423243282 388026210 /nfs/dbraw/zinc/02/62/10/388026210.db2.gz JYXFKDXCJNCVBM-OAHLLOKOSA-N 2 1 234.387 2.453 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCC(C)(F)F)[C@H]2CCC[C@@H]21 ZINC000453219451 388012628 /nfs/dbraw/zinc/01/26/28/388012628.db2.gz LNNBNTAGJSCUEB-WOPDTQHZSA-N 2 1 246.345 2.494 20 0 BEADMP C[NH2+]CC[NH2+][C@H](Cc1ccc(C)cc1)C1CC1 ZINC000423227768 388013763 /nfs/dbraw/zinc/01/37/63/388013763.db2.gz WYFDDWUTYGXPSB-OAHLLOKOSA-N 2 1 232.371 2.125 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](C)CCC(C)(C)C ZINC000423236598 388020089 /nfs/dbraw/zinc/02/00/89/388020089.db2.gz OLWOAYSRANMXAV-LLVKDONJSA-N 2 1 200.370 2.400 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000423251287 388033698 /nfs/dbraw/zinc/03/36/98/388033698.db2.gz VRQJDDJSQKNRLQ-SNVBAGLBSA-N 2 1 234.334 2.400 20 0 BEADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH2+]C)o1 ZINC000423265589 388036848 /nfs/dbraw/zinc/03/68/48/388036848.db2.gz CHOLKUGDUXGIMG-WDEREUQCSA-N 2 1 224.348 2.348 20 0 BEADMP CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)[C@@H]1C[C@@H]1C ZINC000423261564 388039953 /nfs/dbraw/zinc/03/99/53/388039953.db2.gz KEMWEEIDUDEOSS-RVMXOQNASA-N 2 1 212.381 2.384 20 0 BEADMP CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)[C@H]1C[C@@H]1C ZINC000423261562 388040041 /nfs/dbraw/zinc/04/00/41/388040041.db2.gz KEMWEEIDUDEOSS-CYDGBPFRSA-N 2 1 212.381 2.384 20 0 BEADMP Cc1ccncc1[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423262553 388040858 /nfs/dbraw/zinc/04/08/58/388040858.db2.gz MQROJCIQWQSGTP-STQMWFEESA-N 2 1 235.375 2.414 20 0 BEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccoc1 ZINC000423264313 388042957 /nfs/dbraw/zinc/04/29/57/388042957.db2.gz PVWPOIKFBPPPGZ-AAEUAGOBSA-N 2 1 224.348 2.174 20 0 BEADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc2c(c1)COC2 ZINC000423265893 388043747 /nfs/dbraw/zinc/04/37/47/388043747.db2.gz BHIBIMSRXBJOTQ-MEBBXXQBSA-N 2 1 246.354 2.105 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)s1 ZINC000423271991 388050860 /nfs/dbraw/zinc/05/08/60/388050860.db2.gz HTNKCFALGKBOMX-GXSJLCMTSA-N 2 1 224.373 2.444 20 0 BEADMP CC[C@@H](F)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000440530029 388052330 /nfs/dbraw/zinc/05/23/30/388052330.db2.gz GJUJIKGXEJSYFZ-NEPJUHHUSA-N 2 1 216.344 2.151 20 0 BEADMP CC[C@@H](F)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000440530029 388052333 /nfs/dbraw/zinc/05/23/33/388052333.db2.gz GJUJIKGXEJSYFZ-NEPJUHHUSA-N 2 1 216.344 2.151 20 0 BEADMP C[C@H](CCC[NH3+])NCC[NH2+]C1CCCCCC1 ZINC000423275010 388055533 /nfs/dbraw/zinc/05/55/33/388055533.db2.gz LGZBCVLHZLXMGE-CYBMUJFWSA-N 2 1 241.423 2.016 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCc2occc21 ZINC000423275831 388056282 /nfs/dbraw/zinc/05/62/82/388056282.db2.gz NRGZKKXFTWWWEB-CMPLNLGQSA-N 2 1 222.332 2.102 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H](C[NH3+])C2CC2)[C@H](C)C1 ZINC000423275592 388056724 /nfs/dbraw/zinc/05/67/24/388056724.db2.gz LWAOTBHKSRHNPY-AAXDQBDMSA-N 2 1 210.365 2.138 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000423275738 388057348 /nfs/dbraw/zinc/05/73/48/388057348.db2.gz NOKPNUOFWGUCLZ-LSDHHAIUSA-N 2 1 248.370 2.343 20 0 BEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccccc1 ZINC000083764278 388060992 /nfs/dbraw/zinc/06/09/92/388060992.db2.gz AJQWVHPCMVCJGM-GFCCVEGCSA-N 2 1 206.333 2.150 20 0 BEADMP C[N@@H+](CCc1ccccc1)CC(C)(C)C[NH3+] ZINC000083852818 388063326 /nfs/dbraw/zinc/06/33/26/388063326.db2.gz TYGUKLIXAAHSAR-UHFFFAOYSA-N 2 1 220.360 2.146 20 0 BEADMP CC(C)=CCC[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423282512 388065516 /nfs/dbraw/zinc/06/55/16/388065516.db2.gz VGHJTJBLUFTMOS-YPMHNXCESA-N 2 1 210.365 2.448 20 0 BEADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccc1N(C)C ZINC000423325533 388067581 /nfs/dbraw/zinc/06/75/81/388067581.db2.gz QCUNVAFEVYONRQ-FZMZJTMJSA-N 2 1 247.386 2.141 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@@H](C)O1 ZINC000453389445 388067903 /nfs/dbraw/zinc/06/79/03/388067903.db2.gz CKGXFVVMLJCCNM-BZPMIXESSA-N 2 1 240.391 2.016 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccccc1N(C)C ZINC000423285588 388068585 /nfs/dbraw/zinc/06/85/85/388068585.db2.gz ZJMNBFFGRLGWAZ-OCCSQVGLSA-N 2 1 249.402 2.387 20 0 BEADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C1CC1 ZINC000423285158 388069154 /nfs/dbraw/zinc/06/91/54/388069154.db2.gz XSFOWALXGCLWRK-ZIAGYGMSSA-N 2 1 246.354 2.097 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@H]1CCCc2sccc21)C1CC1 ZINC000423285799 388069463 /nfs/dbraw/zinc/06/94/63/388069463.db2.gz YSVSWGWYJGAULI-RYUDHWBXSA-N 2 1 236.384 2.452 20 0 BEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccs1 ZINC000423284852 388069533 /nfs/dbraw/zinc/06/95/33/388069533.db2.gz XGSWIJKTUAGRAO-WCBMZHEXSA-N 2 1 210.346 2.136 20 0 BEADMP COc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])c(C)c1 ZINC000423286647 388070529 /nfs/dbraw/zinc/07/05/29/388070529.db2.gz HXZFOMDOEYHLFU-NSHDSACASA-N 2 1 236.359 2.392 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@H]1C ZINC000453396860 388071369 /nfs/dbraw/zinc/07/13/69/388071369.db2.gz IWWWADXJWPERAL-MBNYWOFBSA-N 2 1 224.392 2.495 20 0 BEADMP CCc1ccccc1C[NH+]1CCC([NH2+]C)CC1 ZINC000084204174 388073786 /nfs/dbraw/zinc/07/37/86/388073786.db2.gz RCXNSNLNKPZECJ-UHFFFAOYSA-N 2 1 232.371 2.433 20 0 BEADMP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](C)CC2)C1 ZINC000084340862 388076749 /nfs/dbraw/zinc/07/67/49/388076749.db2.gz ULTNISVWZAPNJP-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP COC(C)(C)[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453410039 388077126 /nfs/dbraw/zinc/07/71/26/388077126.db2.gz UQKNKPDNCKFMLQ-LBPRGKRZSA-N 2 1 242.407 2.264 20 0 BEADMP Cc1ncccc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453590103 388087871 /nfs/dbraw/zinc/08/78/71/388087871.db2.gz ANFPNAWIFIFVFL-UHFFFAOYSA-N 2 1 247.386 2.354 20 0 BEADMP C[N@@H+](CCCC[NH2+]Cc1ccncc1)C1CC1 ZINC000453597506 388090144 /nfs/dbraw/zinc/09/01/44/388090144.db2.gz NUTNUSCNZSAJQR-UHFFFAOYSA-N 2 1 233.359 2.046 20 0 BEADMP C[N@@H+](CCCC[NH2+]C[C@H]1CCSC1)C1CC1 ZINC000453603382 388090946 /nfs/dbraw/zinc/09/09/46/388090946.db2.gz YCVJCGFCTWBYAN-GFCCVEGCSA-N 2 1 242.432 2.204 20 0 BEADMP C[C@@H](c1cccnc1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086637100 388105874 /nfs/dbraw/zinc/10/58/74/388105874.db2.gz JMHKZQPHZVUAER-NSHDSACASA-N 2 1 221.348 2.059 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000423265243 388044795 /nfs/dbraw/zinc/04/47/95/388044795.db2.gz CRODXQRNFCBDQC-ZIAGYGMSSA-N 2 1 236.334 2.386 20 0 BEADMP CSCC1CCC([NH2+][C@@H](C[NH3+])C2CC2)CC1 ZINC000423266295 388045529 /nfs/dbraw/zinc/04/55/29/388045529.db2.gz BODQTQKPIMIEBO-GDKBPFBDSA-N 2 1 242.432 2.235 20 0 BEADMP COc1cccc2c1CC[C@H]2[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423266690 388045688 /nfs/dbraw/zinc/04/56/88/388045688.db2.gz BYCCHSYQVPFQHG-KGLIPLIRSA-N 2 1 246.354 2.009 20 0 BEADMP [NH3+]C[C@@H]([NH2+][C@H]1CCc2ccccc21)C1CC1 ZINC000423266726 388046068 /nfs/dbraw/zinc/04/60/68/388046068.db2.gz CCTWOCXIUKEELU-UONOGXRCSA-N 2 1 216.328 2.001 20 0 BEADMP CC[C@@H](F)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000440530034 388047484 /nfs/dbraw/zinc/04/74/84/388047484.db2.gz GJUJIKGXEJSYFZ-VXGBXAGGSA-N 2 1 216.344 2.151 20 0 BEADMP CC[C@@H](F)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000440530034 388047488 /nfs/dbraw/zinc/04/74/88/388047488.db2.gz GJUJIKGXEJSYFZ-VXGBXAGGSA-N 2 1 216.344 2.151 20 0 BEADMP Cc1cccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000423268510 388048095 /nfs/dbraw/zinc/04/80/95/388048095.db2.gz DWPMCYKNCBRCCZ-FZMZJTMJSA-N 2 1 218.344 2.383 20 0 BEADMP CC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccncc1 ZINC000423270435 388050037 /nfs/dbraw/zinc/05/00/37/388050037.db2.gz WRKAFYDIPWJRKU-KGLIPLIRSA-N 2 1 235.375 2.496 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000449333014 388174277 /nfs/dbraw/zinc/17/42/77/388174277.db2.gz FSUPILAANZHNRM-GRYCIOLGSA-N 2 1 230.421 2.056 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000449333014 388174278 /nfs/dbraw/zinc/17/42/78/388174278.db2.gz FSUPILAANZHNRM-GRYCIOLGSA-N 2 1 230.421 2.056 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CSC[C@@H]2C)C1 ZINC000449095308 388140924 /nfs/dbraw/zinc/14/09/24/388140924.db2.gz XQSKYQIGFNPCGJ-YNEHKIRRSA-N 2 1 242.432 2.059 20 0 BEADMP CC/C=C\C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000449455704 388210098 /nfs/dbraw/zinc/21/00/98/388210098.db2.gz LOSYAEYVCHLIBI-ASOISWSRSA-N 2 1 210.365 2.273 20 0 BEADMP CC(C)OC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560641 388232333 /nfs/dbraw/zinc/23/23/33/388232333.db2.gz NXZJSZOCIQFJRE-RLAWYHOSSA-N 2 1 240.391 2.015 20 0 BEADMP C[C@@H]1CC[N@@H+](CCC(C)(C)C)C[C@@H]1C[NH3+] ZINC000164665239 388242969 /nfs/dbraw/zinc/24/29/69/388242969.db2.gz SBIHQKKKMLLHFJ-NEPJUHHUSA-N 2 1 212.381 2.339 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(CF)CC1 ZINC000451394824 388269038 /nfs/dbraw/zinc/26/90/38/388269038.db2.gz PLTZHSRPUDAZBI-ZDUSSCGKSA-N 2 1 228.355 2.152 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)o1 ZINC000276368781 388347896 /nfs/dbraw/zinc/34/78/96/388347896.db2.gz AOUZPJDJLJOFLX-NSHDSACASA-N 2 1 233.315 2.215 20 0 BEADMP CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000233780931 388349069 /nfs/dbraw/zinc/34/90/69/388349069.db2.gz RNVVFMZGUKICAD-WDEREUQCSA-N 2 1 222.332 2.083 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC000131997145 388354035 /nfs/dbraw/zinc/35/40/35/388354035.db2.gz GPLNZMMVGDJOCD-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP COc1cc(C[NH2+]CCC[NH+]2CCC2)ccc1C ZINC000572854893 388381310 /nfs/dbraw/zinc/38/13/10/388381310.db2.gz QFDSVTIILWFINZ-UHFFFAOYSA-N 2 1 248.370 2.189 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000572887574 388384384 /nfs/dbraw/zinc/38/43/84/388384384.db2.gz USSUOHFJZKCOKO-VHDGCEQUSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300924110 388386702 /nfs/dbraw/zinc/38/67/02/388386702.db2.gz LRFSLUTWBMJOTR-DCAQKATOSA-N 2 1 232.318 2.091 20 0 BEADMP CCOCCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000165110969 388391431 /nfs/dbraw/zinc/39/14/31/388391431.db2.gz DMWNNKBDYCGZJE-MELADBBJSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)CC[C@H]1[NH3+] ZINC000300785728 388393816 /nfs/dbraw/zinc/39/38/16/388393816.db2.gz BEBQREPYARJJFF-GMTAPVOTSA-N 2 1 232.318 2.091 20 0 BEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000300799598 388394855 /nfs/dbraw/zinc/39/48/55/388394855.db2.gz CTRMBHOSIKMXJO-MXWKQRLJSA-N 2 1 232.318 2.091 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000300997948 388397795 /nfs/dbraw/zinc/39/77/95/388397795.db2.gz VHKLEWWKLKSFKN-GMTAPVOTSA-N 2 1 232.318 2.233 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000300997276 388397879 /nfs/dbraw/zinc/39/78/79/388397879.db2.gz VDJCDQGINXPJSY-GHMZBOCLSA-N 2 1 232.318 2.106 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000300997276 388397881 /nfs/dbraw/zinc/39/78/81/388397881.db2.gz VDJCDQGINXPJSY-GHMZBOCLSA-N 2 1 232.318 2.106 20 0 BEADMP CC[C@@H](C)[C@@H](C)[N@@H+](CCC[NH2+]C)C1CC1 ZINC000336674219 388461384 /nfs/dbraw/zinc/46/13/84/388461384.db2.gz KBVBWKQULVASRN-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP Cc1cccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000310384337 388481875 /nfs/dbraw/zinc/48/18/75/388481875.db2.gz QBFIYEGLMXMJOA-UKRRQHHQSA-N 2 1 232.371 2.412 20 0 BEADMP CC(C)C[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000307824517 388428105 /nfs/dbraw/zinc/42/81/05/388428105.db2.gz XIOYNJJQUXQFRW-UONOGXRCSA-N 2 1 224.392 2.354 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)C1CCC1 ZINC000322367549 388432742 /nfs/dbraw/zinc/43/27/42/388432742.db2.gz ILUDRGCICOCQMY-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP C/C(Cl)=C\CN1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000528508130 388537132 /nfs/dbraw/zinc/53/71/32/388537132.db2.gz LQTDRZCBVWQJKI-RGEGJOEESA-N 2 1 228.767 2.298 20 0 BEADMP Cc1cnccc1C[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000528509523 388537908 /nfs/dbraw/zinc/53/79/08/388537908.db2.gz PYRJQOUFSAXIBA-LSDHHAIUSA-N 2 1 245.370 2.059 20 0 BEADMP Cc1cnccc1C[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000528509523 388537909 /nfs/dbraw/zinc/53/79/09/388537909.db2.gz PYRJQOUFSAXIBA-LSDHHAIUSA-N 2 1 245.370 2.059 20 0 BEADMP CCC(=O)CCC[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000649287146 388543768 /nfs/dbraw/zinc/54/37/68/388543768.db2.gz ISCXJULAGSTURB-CYBMUJFWSA-N 2 1 249.358 2.279 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCCCO1 ZINC000356696463 388550671 /nfs/dbraw/zinc/55/06/71/388550671.db2.gz MGBXYPRLHQEAEB-IGQOVBAYSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCCCO1 ZINC000356696463 388550673 /nfs/dbraw/zinc/55/06/73/388550673.db2.gz MGBXYPRLHQEAEB-IGQOVBAYSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397721438 388494815 /nfs/dbraw/zinc/49/48/15/388494815.db2.gz WJBJNPIBMHQKIH-HUXGKSLCSA-N 2 1 222.376 2.103 20 0 BEADMP Cc1ccccc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000345145916 388511322 /nfs/dbraw/zinc/51/13/22/388511322.db2.gz SPUXBCLBMADWNN-UHFFFAOYSA-N 2 1 230.355 2.347 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000528379303 388518517 /nfs/dbraw/zinc/51/85/17/388518517.db2.gz GGDOTSWMQWPLMK-GFCCVEGCSA-N 2 1 224.392 2.306 20 0 BEADMP CO[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1)c1ccccc1 ZINC000379181733 388595847 /nfs/dbraw/zinc/59/58/47/388595847.db2.gz GOZMZMXFSFDUDY-BPLDGKMQSA-N 2 1 248.370 2.043 20 0 BEADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)[C@H]1C ZINC000550307208 388605487 /nfs/dbraw/zinc/60/54/87/388605487.db2.gz RLLOCUSZKOQWCM-FRRDWIJNSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)[C@H]1C ZINC000550307208 388605488 /nfs/dbraw/zinc/60/54/88/388605488.db2.gz RLLOCUSZKOQWCM-FRRDWIJNSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)[C@H]1C ZINC000550307208 388605490 /nfs/dbraw/zinc/60/54/90/388605490.db2.gz RLLOCUSZKOQWCM-FRRDWIJNSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)[C@@H]1C ZINC000550307209 388605641 /nfs/dbraw/zinc/60/56/41/388605641.db2.gz RLLOCUSZKOQWCM-JHJVBQTASA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)[C@@H]1C ZINC000550307209 388605642 /nfs/dbraw/zinc/60/56/42/388605642.db2.gz RLLOCUSZKOQWCM-JHJVBQTASA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)[C@@H]1C ZINC000550307209 388605645 /nfs/dbraw/zinc/60/56/45/388605645.db2.gz RLLOCUSZKOQWCM-JHJVBQTASA-N 2 1 210.365 2.201 20 0 BEADMP Cc1[nH+]ccn1CCC[NH+]1[C@@H](C)C[C@@H]1C ZINC000548753053 388557423 /nfs/dbraw/zinc/55/74/23/388557423.db2.gz KGNVUUBDXPRKLM-QWRGUYRKSA-N 2 1 207.321 2.064 20 0 BEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCCOC)C1 ZINC000081571800 388584857 /nfs/dbraw/zinc/58/48/57/388584857.db2.gz ZNGSEFGLAIDATQ-CQSZACIVSA-N 2 1 242.407 2.077 20 0 BEADMP C[N@H+]1CCC[C@@]2(CC[NH+](CC3(C)CC3)C2)C1 ZINC000552110890 388669458 /nfs/dbraw/zinc/66/94/58/388669458.db2.gz GINYSKWZYUUBTR-CQSZACIVSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CCC[C@@]2(CC[N@H+](CC3(C)CC3)C2)C1 ZINC000552110890 388669459 /nfs/dbraw/zinc/66/94/59/388669459.db2.gz GINYSKWZYUUBTR-CQSZACIVSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CC3(C)CC3)C2)C1 ZINC000552110890 388669463 /nfs/dbraw/zinc/66/94/63/388669463.db2.gz GINYSKWZYUUBTR-CQSZACIVSA-N 2 1 222.376 2.204 20 0 BEADMP CC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248374787 388677346 /nfs/dbraw/zinc/67/73/46/388677346.db2.gz UCQYOHNOAKDWQR-RWMBFGLXSA-N 2 1 210.365 2.201 20 0 BEADMP CC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248374787 388677348 /nfs/dbraw/zinc/67/73/48/388677348.db2.gz UCQYOHNOAKDWQR-RWMBFGLXSA-N 2 1 210.365 2.201 20 0 BEADMP CC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248374787 388677350 /nfs/dbraw/zinc/67/73/50/388677350.db2.gz UCQYOHNOAKDWQR-RWMBFGLXSA-N 2 1 210.365 2.201 20 0 BEADMP CC[C@@H](C)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000248373986 388677539 /nfs/dbraw/zinc/67/75/39/388677539.db2.gz NBMUDDKVYMFFPT-OLZOCXBDSA-N 2 1 212.381 2.449 20 0 BEADMP CC[C@@H]1C[N@@H+](CC2CC(C)(C)C2)CC[C@H]1[NH3+] ZINC000530217917 388630082 /nfs/dbraw/zinc/63/00/82/388630082.db2.gz JCWDBKXJBDBPEG-CHWSQXEVSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000530216404 388630516 /nfs/dbraw/zinc/63/05/16/388630516.db2.gz BHQYIMAWPYHNHG-JQWIXIFHSA-N 2 1 210.365 2.092 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CC)CC2)[C@H](C)C1 ZINC000246330059 388631160 /nfs/dbraw/zinc/63/11/60/388631160.db2.gz GAIUJVUPQZQEKY-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C[C@@H]1C[NH3+] ZINC000530222909 388633980 /nfs/dbraw/zinc/63/39/80/388633980.db2.gz IRNCGANPUMHQSV-AAEUAGOBSA-N 2 1 224.392 2.339 20 0 BEADMP C[C@H]1CC(F)(F)CC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000530233559 388636258 /nfs/dbraw/zinc/63/62/58/388636258.db2.gz WYORXZBTEBOTBF-NWDGAFQWSA-N 2 1 246.345 2.496 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261551913 388643988 /nfs/dbraw/zinc/64/39/88/388643988.db2.gz MOQZSFFIDQFTQJ-RRFJBIMHSA-N 2 1 230.355 2.164 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261551912 388644166 /nfs/dbraw/zinc/64/41/66/388644166.db2.gz MOQZSFFIDQFTQJ-KKUMJFAQSA-N 2 1 230.355 2.164 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261551915 388644521 /nfs/dbraw/zinc/64/45/21/388644521.db2.gz MOQZSFFIDQFTQJ-ZNMIVQPWSA-N 2 1 230.355 2.164 20 0 BEADMP COCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000247030554 388657508 /nfs/dbraw/zinc/65/75/08/388657508.db2.gz NOLJLDROLZGZEV-KGLIPLIRSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)C1CCC1 ZINC000247138751 388659488 /nfs/dbraw/zinc/65/94/88/388659488.db2.gz WAGUMHHRLUIGHX-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)C1CCC1 ZINC000247138751 388659489 /nfs/dbraw/zinc/65/94/89/388659489.db2.gz WAGUMHHRLUIGHX-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000251962164 388757981 /nfs/dbraw/zinc/75/79/81/388757981.db2.gz VTVODVMDYDBBOP-YNEHKIRRSA-N 2 1 212.381 2.352 20 0 BEADMP C[NH+](C)C1CC[NH+](CCc2ccccc2)CC1 ZINC000127832132 388732232 /nfs/dbraw/zinc/73/22/32/388732232.db2.gz BLASCDFIFXIVAJ-UHFFFAOYSA-N 2 1 232.371 2.255 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000228150078 388770722 /nfs/dbraw/zinc/77/07/22/388770722.db2.gz ZFGHCPBRMVQXCP-WDEREUQCSA-N 2 1 224.373 2.226 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCC1CC1 ZINC000252730837 388776751 /nfs/dbraw/zinc/77/67/51/388776751.db2.gz NBLLYTJEBVIXJH-DGCLKSJQSA-N 2 1 210.365 2.106 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCC[C@H]1C ZINC000252744314 388780235 /nfs/dbraw/zinc/78/02/35/388780235.db2.gz NHGWEDVGQUDFHS-OLZOCXBDSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCC[C@H]1C ZINC000252744314 388780239 /nfs/dbraw/zinc/78/02/39/388780239.db2.gz NHGWEDVGQUDFHS-OLZOCXBDSA-N 2 1 212.381 2.497 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000229285680 388784244 /nfs/dbraw/zinc/78/42/44/388784244.db2.gz KSNKPKQMWILXIB-JHJVBQTASA-N 2 1 212.381 2.495 20 0 BEADMP CC[N@@H+](CC1CCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000230320742 388824107 /nfs/dbraw/zinc/82/41/07/388824107.db2.gz QQPCKLALTDCBNT-ZDUSSCGKSA-N 2 1 210.365 2.108 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000554725229 388829696 /nfs/dbraw/zinc/82/96/96/388829696.db2.gz UBTMQNUYPPFIOD-SNPRPXQTSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1c[nH+]ccc1N ZINC000564825628 388891661 /nfs/dbraw/zinc/89/16/61/388891661.db2.gz YISORXUMRFBUHF-USZNOCQGSA-N 2 1 249.358 2.101 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000564823582 388891926 /nfs/dbraw/zinc/89/19/26/388891926.db2.gz HLINLAFPDHAXJF-QMTHXVAHSA-N 2 1 222.376 2.010 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000565510477 388950179 /nfs/dbraw/zinc/95/01/79/388950179.db2.gz FJISVXVKFYOBQT-MGPQQGTHSA-N 2 1 242.407 2.121 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000565510477 388950181 /nfs/dbraw/zinc/95/01/81/388950181.db2.gz FJISVXVKFYOBQT-MGPQQGTHSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(F)cn1 ZINC000271858664 389026277 /nfs/dbraw/zinc/02/62/77/389026277.db2.gz JWOVWIVWZCPSMH-LLVKDONJSA-N 2 1 249.333 2.133 20 0 BEADMP C[C@H](CCc1ccco1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271836594 389026619 /nfs/dbraw/zinc/02/66/19/389026619.db2.gz GDKZBDAWOYJLRY-CYBMUJFWSA-N 2 1 248.370 2.452 20 0 BEADMP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCCC1 ZINC000261560714 533364610 /nfs/dbraw/zinc/36/46/10/533364610.db2.gz AEJADTCRJHQOOG-ZIAGYGMSSA-N 2 1 222.376 2.108 20 0 BEADMP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000261542159 533365502 /nfs/dbraw/zinc/36/55/02/533365502.db2.gz BWNRPYWBTSMEOR-CABCVRRESA-N 2 1 236.403 2.498 20 0 BEADMP Cc1cc[nH+]c(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000268884528 132193368 /nfs/dbraw/zinc/19/33/68/132193368.db2.gz WUPCNWGIFLTYJI-KBPBESRZSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cc[nH+]c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000268884528 132193371 /nfs/dbraw/zinc/19/33/71/132193371.db2.gz WUPCNWGIFLTYJI-KBPBESRZSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cc[nH+]c(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000277116844 132207271 /nfs/dbraw/zinc/20/72/71/132207271.db2.gz YPOYNYVRPWWFJK-ZIAGYGMSSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cc[nH+]c(N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000277116844 132207273 /nfs/dbraw/zinc/20/72/73/132207273.db2.gz YPOYNYVRPWWFJK-ZIAGYGMSSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cc(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc[nH+]1 ZINC000277063134 132207348 /nfs/dbraw/zinc/20/73/48/132207348.db2.gz RMBXCFNPINKRPV-DZGCQCFKSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cc(N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc[nH+]1 ZINC000277063146 132207416 /nfs/dbraw/zinc/20/74/16/132207416.db2.gz RMBXCFNPINKRPV-ZFWWWQNUSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cc[nH+]c(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000277116833 132207482 /nfs/dbraw/zinc/20/74/82/132207482.db2.gz YPOYNYVRPWWFJK-KGLIPLIRSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cc[nH+]c(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000277116833 132207483 /nfs/dbraw/zinc/20/74/83/132207483.db2.gz YPOYNYVRPWWFJK-KGLIPLIRSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cc[nH+]c(N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000130250462 132234495 /nfs/dbraw/zinc/23/44/95/132234495.db2.gz NXVGEGSCBZZGMP-UHFFFAOYSA-N 2 1 245.370 2.358 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@@H](C)F)C1 ZINC000352003344 134034726 /nfs/dbraw/zinc/03/47/26/134034726.db2.gz LLXTYQZFSNGIHB-NEPJUHHUSA-N 2 1 216.344 2.008 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H](C)F)C1 ZINC000352003344 134034727 /nfs/dbraw/zinc/03/47/27/134034727.db2.gz LLXTYQZFSNGIHB-NEPJUHHUSA-N 2 1 216.344 2.008 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC000352003344 134034728 /nfs/dbraw/zinc/03/47/28/134034728.db2.gz LLXTYQZFSNGIHB-NEPJUHHUSA-N 2 1 216.344 2.008 20 0 BEADMP C[C@H](F)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000352014822 134036093 /nfs/dbraw/zinc/03/60/93/134036093.db2.gz OBEWWRYUROLAGB-QJPTWQEYSA-N 2 1 216.344 2.149 20 0 BEADMP C[C@H](F)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000352014822 134036094 /nfs/dbraw/zinc/03/60/94/134036094.db2.gz OBEWWRYUROLAGB-QJPTWQEYSA-N 2 1 216.344 2.149 20 0 BEADMP c1nc2c([nH]1)CC[C@H]([NH2+][C@@H]1CCC13CCC3)C2 ZINC000336003072 134048155 /nfs/dbraw/zinc/04/81/55/134048155.db2.gz OTIDYXKKXMOUKO-GXFFZTMASA-N 2 1 231.343 2.189 20 0 BEADMP C[C@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@@H]1C ZINC000173989130 134277520 /nfs/dbraw/zinc/27/75/20/134277520.db2.gz FVXDOWTUIMMQKR-STQMWFEESA-N 2 1 210.365 2.345 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(C)C)C1 ZINC000173884809 134278551 /nfs/dbraw/zinc/27/85/51/134278551.db2.gz RKOGXESOLJSIGM-CYBMUJFWSA-N 2 1 212.381 2.306 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(C)C)C1 ZINC000173884809 134278552 /nfs/dbraw/zinc/27/85/52/134278552.db2.gz RKOGXESOLJSIGM-CYBMUJFWSA-N 2 1 212.381 2.306 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC000173884809 134278553 /nfs/dbraw/zinc/27/85/53/134278553.db2.gz RKOGXESOLJSIGM-CYBMUJFWSA-N 2 1 212.381 2.306 20 0 BEADMP C[C@H](CC[NH3+])[NH2+]Cc1ccc(F)cc1Cl ZINC000220530177 134309626 /nfs/dbraw/zinc/30/96/26/134309626.db2.gz JQFQGJNQDUKPTA-MRVPVSSYSA-N 2 1 230.714 2.306 20 0 BEADMP C[C@@H]1CCC[C@@H](C)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178974095 134314037 /nfs/dbraw/zinc/31/40/37/134314037.db2.gz MGFOVQNMAVNECR-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CCCC2)[C@@H](C)C1 ZINC000222681847 134333519 /nfs/dbraw/zinc/33/35/19/134333519.db2.gz BZYHWXRVAGGKKO-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H](CC[N@@H+]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000224188449 134342471 /nfs/dbraw/zinc/34/24/71/134342471.db2.gz MBRVMRWXSCNZFB-GXTWGEPZSA-N 2 1 218.344 2.213 20 0 BEADMP C[C@@H](CC[N@H+]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000224188449 134342472 /nfs/dbraw/zinc/34/24/72/134342472.db2.gz MBRVMRWXSCNZFB-GXTWGEPZSA-N 2 1 218.344 2.213 20 0 BEADMP Cc1ccc([C@@H](C)[N@@H+](C)CCC[NH3+])cc1 ZINC000227745179 134392127 /nfs/dbraw/zinc/39/21/27/134392127.db2.gz CITFBEVLVPERFW-GFCCVEGCSA-N 2 1 206.333 2.337 20 0 BEADMP Cc1c[nH+]ccc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248675212 135019167 /nfs/dbraw/zinc/01/91/67/135019167.db2.gz XXQOSNDLFQQKDO-DZGCQCFKSA-N 2 1 245.370 2.311 20 0 BEADMP CCOC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000249173670 135035679 /nfs/dbraw/zinc/03/56/79/135035679.db2.gz YATGETYOJXOGMW-FRRDWIJNSA-N 2 1 242.407 2.120 20 0 BEADMP CC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000163663395 135038387 /nfs/dbraw/zinc/03/83/87/135038387.db2.gz VOJJTLOLMKSIDR-RVMXOQNASA-N 2 1 210.365 2.092 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)C2CCCC2)C1 ZINC000249744383 135044640 /nfs/dbraw/zinc/04/46/40/135044640.db2.gz LZAIZORQRWKKMC-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C2CCCC2)C1 ZINC000249744386 135044857 /nfs/dbraw/zinc/04/48/57/135044857.db2.gz LZAIZORQRWKKMC-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000250232133 135050514 /nfs/dbraw/zinc/05/05/14/135050514.db2.gz GHOCQOSCAARFEI-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)CCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250508843 135055680 /nfs/dbraw/zinc/05/56/80/135055680.db2.gz AVYBVBKYXPLCCL-STQMWFEESA-N 2 1 212.381 2.482 20 0 BEADMP CC(C)(C)CN1CCC[N@H+]2CCC[C@H]2C1 ZINC000250683026 135058032 /nfs/dbraw/zinc/05/80/32/135058032.db2.gz FIXLFXYBTNPMOK-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000251760237 135076211 /nfs/dbraw/zinc/07/62/11/135076211.db2.gz DOTSREYMHRSYNQ-VOAKCMCISA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)C[C@H]1C ZINC000251757054 135076512 /nfs/dbraw/zinc/07/65/12/135076512.db2.gz JZPRVROTLFLZSG-BZPMIXESSA-N 2 1 224.392 2.495 20 0 BEADMP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000251777180 135077304 /nfs/dbraw/zinc/07/73/04/135077304.db2.gz FILYVAHYYKAPHM-XDQVBPFNSA-N 2 1 240.391 2.016 20 0 BEADMP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000251777180 135077306 /nfs/dbraw/zinc/07/73/06/135077306.db2.gz FILYVAHYYKAPHM-XDQVBPFNSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+]C2)[C@H]1C ZINC000251874044 135080153 /nfs/dbraw/zinc/08/01/53/135080153.db2.gz QSPKIPKQDPKCGA-VOAKCMCISA-N 2 1 210.365 2.153 20 0 BEADMP CCSCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246732697 135083661 /nfs/dbraw/zinc/08/36/61/135083661.db2.gz MGNJOUBBMRPZRK-NWDGAFQWSA-N 2 1 230.421 2.154 20 0 BEADMP CCSCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246732697 135083663 /nfs/dbraw/zinc/08/36/63/135083663.db2.gz MGNJOUBBMRPZRK-NWDGAFQWSA-N 2 1 230.421 2.154 20 0 BEADMP CCSCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246732697 135083665 /nfs/dbraw/zinc/08/36/65/135083665.db2.gz MGNJOUBBMRPZRK-NWDGAFQWSA-N 2 1 230.421 2.154 20 0 BEADMP CCSCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246732697 135083667 /nfs/dbraw/zinc/08/36/67/135083667.db2.gz MGNJOUBBMRPZRK-NWDGAFQWSA-N 2 1 230.421 2.154 20 0 BEADMP CC[C@H](C)C[N@@H+](CC)CC[C@@H]1CC[NH2+]C1 ZINC000086440264 135085284 /nfs/dbraw/zinc/08/52/84/135085284.db2.gz OALCMGZWMITPMO-STQMWFEESA-N 2 1 212.381 2.354 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000252196666 135086435 /nfs/dbraw/zinc/08/64/35/135086435.db2.gz SMNWGLPOTAGPIU-AGIUHOORSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)[C@@H]1C ZINC000252196668 135086473 /nfs/dbraw/zinc/08/64/73/135086473.db2.gz SMNWGLPOTAGPIU-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1CCCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000252186070 135087020 /nfs/dbraw/zinc/08/70/20/135087020.db2.gz QVQFCDZOIQMHDA-STQMWFEESA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252219229 135087823 /nfs/dbraw/zinc/08/78/23/135087823.db2.gz YOQHIUQNLZTACV-JWURUJNWSA-N 2 1 222.376 2.390 20 0 BEADMP Oc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252675203 135095409 /nfs/dbraw/zinc/09/54/09/135095409.db2.gz YBWMVOTYQJDMMG-KGLIPLIRSA-N 2 1 246.354 2.109 20 0 BEADMP C[NH2+]CC1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000086839836 135097220 /nfs/dbraw/zinc/09/72/20/135097220.db2.gz ORVRUDPPPOPTRF-UHFFFAOYSA-N 2 1 239.750 2.171 20 0 BEADMP C[C@@H]1C[N@@H+](CCCCC(F)(F)F)CC[C@H]1[NH3+] ZINC000252706898 135097979 /nfs/dbraw/zinc/09/79/79/135097979.db2.gz VLNOUDCBJMRPLB-NXEZZACHSA-N 2 1 238.297 2.388 20 0 BEADMP C[C@H]1C[N@@H+](CCCCC(F)(F)F)CC[C@H]1[NH3+] ZINC000252706899 135098119 /nfs/dbraw/zinc/09/81/19/135098119.db2.gz VLNOUDCBJMRPLB-VHSXEESVSA-N 2 1 238.297 2.388 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccsc1 ZINC000252713462 135100022 /nfs/dbraw/zinc/10/00/22/135100022.db2.gz PFBQWHJAOVUXTE-DGCLKSJQSA-N 2 1 238.400 2.220 20 0 BEADMP CC1CC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000252728834 135103455 /nfs/dbraw/zinc/10/34/55/135103455.db2.gz CZKKEYFJCCWXLD-MICYEWLZSA-N 2 1 210.365 2.103 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@H]1C ZINC000252742538 135106719 /nfs/dbraw/zinc/10/67/19/135106719.db2.gz KCBPYTBPDAFZAE-JHJVBQTASA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1 ZINC000261595245 135110333 /nfs/dbraw/zinc/11/03/33/135110333.db2.gz XYPPYPWYMRTMSQ-NSHDSACASA-N 2 1 204.317 2.219 20 0 BEADMP CCCCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252838324 135111664 /nfs/dbraw/zinc/11/16/64/135111664.db2.gz AGNNIWCLQKYANJ-AVGNSLFASA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccs1 ZINC000252895348 135116307 /nfs/dbraw/zinc/11/63/07/135116307.db2.gz YLSGGLMTGNTIHX-CMPLNLGQSA-N 2 1 224.373 2.178 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccs1 ZINC000252895348 135116308 /nfs/dbraw/zinc/11/63/08/135116308.db2.gz YLSGGLMTGNTIHX-CMPLNLGQSA-N 2 1 224.373 2.178 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000078461813 135124820 /nfs/dbraw/zinc/12/48/20/135124820.db2.gz VTXXOWLPZZMUED-BZPMIXESSA-N 2 1 224.392 2.495 20 0 BEADMP C[N@H+](CCc1ccc(F)cc1)CC(C)(C)[NH3+] ZINC000258759660 135133723 /nfs/dbraw/zinc/13/37/23/135133723.db2.gz GYIBTGUAEJLLAW-UHFFFAOYSA-N 2 1 224.323 2.037 20 0 BEADMP C[N@@H+](CCc1ccc(F)cc1)CC(C)(C)[NH3+] ZINC000258759660 135133724 /nfs/dbraw/zinc/13/37/24/135133724.db2.gz GYIBTGUAEJLLAW-UHFFFAOYSA-N 2 1 224.323 2.037 20 0 BEADMP CCc1ccc(C[NH2+]CC(C)(C)[NH3+])cc1 ZINC000258791912 135134367 /nfs/dbraw/zinc/13/43/67/135134367.db2.gz JHUUWMGBWMGTHG-UHFFFAOYSA-N 2 1 206.333 2.076 20 0 BEADMP CCc1ccc(C[N@H+](C)CC(C)(C)[NH3+])cc1 ZINC000258865502 135135148 /nfs/dbraw/zinc/13/51/48/135135148.db2.gz OVQOJTZHWZBIPL-UHFFFAOYSA-N 2 1 220.360 2.418 20 0 BEADMP CCc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])cc1 ZINC000258865502 135135149 /nfs/dbraw/zinc/13/51/49/135135149.db2.gz OVQOJTZHWZBIPL-UHFFFAOYSA-N 2 1 220.360 2.418 20 0 BEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000259167334 135137554 /nfs/dbraw/zinc/13/75/54/135137554.db2.gz VSNKKMOBFSPMQY-QWHCGFSZSA-N 2 1 230.311 2.402 20 0 BEADMP C[C@H](c1ccccn1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257666722 135138591 /nfs/dbraw/zinc/13/85/91/135138591.db2.gz CVUABJCABQBNCF-HIFRSBDPSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257666722 135138593 /nfs/dbraw/zinc/13/85/93/135138593.db2.gz CVUABJCABQBNCF-HIFRSBDPSA-N 2 1 245.370 2.218 20 0 BEADMP CC(C)(C)[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000257782415 135142014 /nfs/dbraw/zinc/14/20/14/135142014.db2.gz QLPVATVGLHXTPK-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP Fc1ccc2c(cc[nH+]c2NC[C@@H]2CC[NH2+]C2)c1 ZINC000259465544 135142833 /nfs/dbraw/zinc/14/28/33/135142833.db2.gz QZXWFQYXTCWGBC-SNVBAGLBSA-N 2 1 245.301 2.395 20 0 BEADMP C[NH2+]CCC[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000087472203 135142933 /nfs/dbraw/zinc/14/29/33/135142933.db2.gz CFBHNOFPISDGDM-LLVKDONJSA-N 2 1 224.323 2.428 20 0 BEADMP C[NH2+]CCC[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000087472203 135142935 /nfs/dbraw/zinc/14/29/35/135142935.db2.gz CFBHNOFPISDGDM-LLVKDONJSA-N 2 1 224.323 2.428 20 0 BEADMP C[NH2+]CCC[N@@H+](C)CCCc1ccccc1 ZINC000087472272 135143047 /nfs/dbraw/zinc/14/30/47/135143047.db2.gz CMKPKOKWFIOQQZ-UHFFFAOYSA-N 2 1 220.360 2.161 20 0 BEADMP CCc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000261529288 135155050 /nfs/dbraw/zinc/15/50/50/135155050.db2.gz AOBAGDSKDXVXSO-MNOVXSKESA-N 2 1 206.333 2.074 20 0 BEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000261529756 135156920 /nfs/dbraw/zinc/15/69/20/135156920.db2.gz VCKMSSLTNUWBAY-BDAKNGLRSA-N 2 1 212.724 2.165 20 0 BEADMP CCC[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000261531467 135160515 /nfs/dbraw/zinc/16/05/15/135160515.db2.gz GPNZLNQFZJBTSS-NEPJUHHUSA-N 2 1 210.365 2.249 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)o1 ZINC000087646512 135160593 /nfs/dbraw/zinc/16/05/93/135160593.db2.gz JPQLEYOUIQBNHZ-NEPJUHHUSA-N 2 1 222.332 2.238 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)o1 ZINC000087646510 135160995 /nfs/dbraw/zinc/16/09/95/135160995.db2.gz JPQLEYOUIQBNHZ-NWDGAFQWSA-N 2 1 222.332 2.238 20 0 BEADMP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H](C)[NH3+] ZINC000261531830 135162116 /nfs/dbraw/zinc/16/21/16/135162116.db2.gz HZLQKGPPCCUSRT-NWDGAFQWSA-N 2 1 206.333 2.335 20 0 BEADMP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H](C)[NH3+] ZINC000261531830 135162118 /nfs/dbraw/zinc/16/21/18/135162118.db2.gz HZLQKGPPCCUSRT-NWDGAFQWSA-N 2 1 206.333 2.335 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000261532752 135163608 /nfs/dbraw/zinc/16/36/08/135163608.db2.gz DWKNIUVZVJBHKL-RFGFWPKPSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261534496 135166458 /nfs/dbraw/zinc/16/64/58/135166458.db2.gz RHULSGUGHGXAJQ-MRVWCRGKSA-N 2 1 218.344 2.417 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1C ZINC000261534301 135167286 /nfs/dbraw/zinc/16/72/86/135167286.db2.gz PQMXPQAQYXAQCW-BXUZGUMPSA-N 2 1 218.344 2.082 20 0 BEADMP CCCC[C@H](C[NH3+])Nc1cc(C)[nH+]c(C)n1 ZINC000087780069 135168359 /nfs/dbraw/zinc/16/83/59/135168359.db2.gz IYHSKRTZQIIUJN-LLVKDONJSA-N 2 1 222.336 2.023 20 0 BEADMP Cc1nc(C)c([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])s1 ZINC000261535650 135170888 /nfs/dbraw/zinc/17/08/88/135170888.db2.gz OXGWRAQDYUNPRT-PRJMDXOYSA-N 2 1 227.377 2.146 20 0 BEADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000261538874 135177184 /nfs/dbraw/zinc/17/71/84/135177184.db2.gz ZRIHFXFSGQHZLI-NEPJUHHUSA-N 2 1 206.333 2.335 20 0 BEADMP Cc1ccc([C@H](C)[N@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000261538874 135177185 /nfs/dbraw/zinc/17/71/85/135177185.db2.gz ZRIHFXFSGQHZLI-NEPJUHHUSA-N 2 1 206.333 2.335 20 0 BEADMP C[C@@H]1CCCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261539320 135177796 /nfs/dbraw/zinc/17/77/96/135177796.db2.gz CCRCMMGMJILHSB-OLZOCXBDSA-N 2 1 210.365 2.108 20 0 BEADMP Cc1cc(C)c(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(C)c1 ZINC000261541023 135180697 /nfs/dbraw/zinc/18/06/97/135180697.db2.gz IRCJMUWLVDWJSC-UKRRQHHQSA-N 2 1 232.371 2.391 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(C)c1 ZINC000261541023 135180698 /nfs/dbraw/zinc/18/06/98/135180698.db2.gz IRCJMUWLVDWJSC-UKRRQHHQSA-N 2 1 232.371 2.391 20 0 BEADMP CC[N@@H+](C[C@@H]1C[C@H]1C)[C@@H]1CCC[NH2+]CC1 ZINC000261542623 135183125 /nfs/dbraw/zinc/18/31/25/135183125.db2.gz GZMNZXBCCRRDJE-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@@H+](C[C@@H]1C[C@@H]1C)[C@@H]1CCC[NH2+]CC1 ZINC000261542624 135183421 /nfs/dbraw/zinc/18/34/21/135183421.db2.gz GZMNZXBCCRRDJE-RWMBFGLXSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)[C@H](C)[NH3+] ZINC000261549576 135188377 /nfs/dbraw/zinc/18/83/77/135188377.db2.gz KQTVCDDMIFGAES-DTWKUNHWSA-N 2 1 244.285 2.113 20 0 BEADMP C[C@@H]1CC[C@@H]([N@@H+](C)C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261552341 135191167 /nfs/dbraw/zinc/19/11/67/135191167.db2.gz RDFBAFBXKNMERM-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H](C[N@H+]1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000261553593 135192752 /nfs/dbraw/zinc/19/27/52/135192752.db2.gz OBNHSEOTJIGQMB-UKRRQHHQSA-N 2 1 232.371 2.461 20 0 BEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccc(F)c(F)c1 ZINC000261556735 135197026 /nfs/dbraw/zinc/19/70/26/135197026.db2.gz QXSJAOSXCOHCCS-CYBMUJFWSA-N 2 1 242.313 2.428 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261558446 135199775 /nfs/dbraw/zinc/19/97/75/135199775.db2.gz SKVJENOJBNYOIF-CABCVRRESA-N 2 1 230.355 2.179 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261558448 135199945 /nfs/dbraw/zinc/19/99/45/135199945.db2.gz SKVJENOJBNYOIF-HUUCEWRRSA-N 2 1 230.355 2.179 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261561384 135202561 /nfs/dbraw/zinc/20/25/61/135202561.db2.gz VHFYVHGZICLGLM-HUUCEWRRSA-N 2 1 230.355 2.036 20 0 BEADMP C[C@H](c1cccc(O)c1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261563024 135204981 /nfs/dbraw/zinc/20/49/81/135204981.db2.gz GSNRSUJSCLGWQC-OLZOCXBDSA-N 2 1 248.370 2.385 20 0 BEADMP C[C@H](c1ccccc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261562946 135204986 /nfs/dbraw/zinc/20/49/86/135204986.db2.gz WSZJTFIYZKVUHL-FAAHXZRKSA-N 2 1 230.355 2.417 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261564736 135206751 /nfs/dbraw/zinc/20/67/51/135206751.db2.gz HLFFRXGXANSTNY-NILFDRSVSA-N 2 1 248.345 2.303 20 0 BEADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cc(F)cc(F)c1 ZINC000261565063 135206899 /nfs/dbraw/zinc/20/68/99/135206899.db2.gz YDAWASKQNUEETF-ZDUSSCGKSA-N 2 1 242.313 2.428 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261564766 135207264 /nfs/dbraw/zinc/20/72/64/135207264.db2.gz HMOSLOKVLKLPNH-CVEARBPZSA-N 2 1 244.382 2.345 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+]CC(C)(C)C ZINC000163827824 135208322 /nfs/dbraw/zinc/20/83/22/135208322.db2.gz FNMYGRYTUKKOQG-NSHDSACASA-N 2 1 200.370 2.352 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+]CC(C)(C)C ZINC000163827824 135208324 /nfs/dbraw/zinc/20/83/24/135208324.db2.gz FNMYGRYTUKKOQG-NSHDSACASA-N 2 1 200.370 2.352 20 0 BEADMP Cc1ccccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261566585 135208906 /nfs/dbraw/zinc/20/89/06/135208906.db2.gz ZDDYZVFSBJPZBM-ZNMIVQPWSA-N 2 1 230.355 2.164 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC000084329944 135211413 /nfs/dbraw/zinc/21/14/13/135211413.db2.gz WMZGVHCKQCBDFF-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP CCSCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000164012604 135211926 /nfs/dbraw/zinc/21/19/26/135211926.db2.gz KMJVVIQMIYHQLA-CHWSQXEVSA-N 2 1 242.432 2.346 20 0 BEADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccc(F)cc1 ZINC000261570415 135212047 /nfs/dbraw/zinc/21/20/47/135212047.db2.gz GXDXHDGYSJMLQQ-ZDUSSCGKSA-N 2 1 224.323 2.289 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261570789 135212858 /nfs/dbraw/zinc/21/28/58/135212858.db2.gz KOZRGDLCYTYKLY-OCCSQVGLSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261570789 135212859 /nfs/dbraw/zinc/21/28/59/135212859.db2.gz KOZRGDLCYTYKLY-OCCSQVGLSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC000261572166 135213946 /nfs/dbraw/zinc/21/39/46/135213946.db2.gz LMSLJIOOTXITCN-CVEARBPZSA-N 2 1 244.382 2.487 20 0 BEADMP CC1(C)C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCS1 ZINC000164180542 135214371 /nfs/dbraw/zinc/21/43/71/135214371.db2.gz RRTKNIATRDSCRD-LBPRGKRZSA-N 2 1 242.432 2.204 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000261574190 135216137 /nfs/dbraw/zinc/21/61/37/135216137.db2.gz MNKTVQRGEZGBFJ-KGLIPLIRSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000261574190 135216138 /nfs/dbraw/zinc/21/61/38/135216138.db2.gz MNKTVQRGEZGBFJ-KGLIPLIRSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1ccsc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261575055 135216483 /nfs/dbraw/zinc/21/64/83/135216483.db2.gz JOKGIOXCQFFCGS-SRVKXCTJSA-N 2 1 236.384 2.226 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1F ZINC000261575513 135216594 /nfs/dbraw/zinc/21/65/94/135216594.db2.gz NDJLJECDSMWMIU-GZBFAFLISA-N 2 1 248.345 2.303 20 0 BEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000084384580 135217863 /nfs/dbraw/zinc/21/78/63/135217863.db2.gz QOJGMBZILUXYAD-XQQFMLRXSA-N 2 1 210.365 2.249 20 0 BEADMP c1cc2c(s1)CC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000084384475 135218319 /nfs/dbraw/zinc/21/83/19/135218319.db2.gz BDLVZPQVRPNTPG-NSHDSACASA-N 2 1 236.384 2.106 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261578036 135219128 /nfs/dbraw/zinc/21/91/28/135219128.db2.gz OSDXXPLPHGBHPI-SWLSCSKDSA-N 2 1 248.345 2.318 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261578036 135219129 /nfs/dbraw/zinc/21/91/29/135219129.db2.gz OSDXXPLPHGBHPI-SWLSCSKDSA-N 2 1 248.345 2.318 20 0 BEADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)C(C1CC1)C1CC1 ZINC000261577655 135219289 /nfs/dbraw/zinc/21/92/89/135219289.db2.gz LGXIMFKLTFMVRH-LLVKDONJSA-N 2 1 222.376 2.106 20 0 BEADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261579961 135220520 /nfs/dbraw/zinc/22/05/20/135220520.db2.gz PTNREIRGPOHRAD-DZGCQCFKSA-N 2 1 248.345 2.318 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261579961 135220522 /nfs/dbraw/zinc/22/05/22/135220522.db2.gz PTNREIRGPOHRAD-DZGCQCFKSA-N 2 1 248.345 2.318 20 0 BEADMP C[C@H](C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000261585222 135225703 /nfs/dbraw/zinc/22/57/03/135225703.db2.gz SWEFSVPLJLCQKM-BVUBDWEXSA-N 2 1 244.382 2.459 20 0 BEADMP COCc1cccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000261584607 135225897 /nfs/dbraw/zinc/22/58/97/135225897.db2.gz SKNXHTFUFDLAPF-OAHLLOKOSA-N 2 1 248.370 2.004 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261585270 135225909 /nfs/dbraw/zinc/22/59/09/135225909.db2.gz SYCOEISHVRGNQR-CFVMTHIKSA-N 2 1 248.345 2.303 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)o1 ZINC000261584796 135226061 /nfs/dbraw/zinc/22/60/61/135226061.db2.gz PZTOZXSZJNFVSW-USWWRNFRSA-N 2 1 222.332 2.237 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)o1 ZINC000261584794 135226300 /nfs/dbraw/zinc/22/63/00/135226300.db2.gz PZTOZXSZJNFVSW-ADEWGFFLSA-N 2 1 222.332 2.237 20 0 BEADMP COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000261586206 135227049 /nfs/dbraw/zinc/22/70/49/135227049.db2.gz UGNHSWPYSNQAKT-MBNYWOFBSA-N 2 1 248.370 2.344 20 0 BEADMP COc1cccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])c1 ZINC000261585510 135227113 /nfs/dbraw/zinc/22/71/13/135227113.db2.gz QMVJCYFCQVMRML-MXWKQRLJSA-N 2 1 222.332 2.082 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000261589547 135229913 /nfs/dbraw/zinc/22/99/13/135229913.db2.gz WIULJQVIKAIZNY-ZBFHGGJFSA-N 2 1 244.382 2.345 20 0 BEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCC3CCCC3)C[C@@H]12 ZINC000261589700 135230327 /nfs/dbraw/zinc/23/03/27/135230327.db2.gz UCSIQIRFKKDSBG-BFHYXJOUSA-N 2 1 222.376 2.236 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1F ZINC000261591647 135231798 /nfs/dbraw/zinc/23/17/98/135231798.db2.gz XXJNGCMYTNPIEJ-ZIAGYGMSSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1F ZINC000261591647 135231799 /nfs/dbraw/zinc/23/17/99/135231799.db2.gz XXJNGCMYTNPIEJ-ZIAGYGMSSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1ccsc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261592429 135232822 /nfs/dbraw/zinc/23/28/22/135232822.db2.gz VWDSRHQUJQZJNW-RYUDHWBXSA-N 2 1 236.384 2.240 20 0 BEADMP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000261593404 135233389 /nfs/dbraw/zinc/23/33/89/135233389.db2.gz WUAHUPUVSXPRJM-MXWKQRLJSA-N 2 1 222.332 2.082 20 0 BEADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261546363 135238576 /nfs/dbraw/zinc/23/85/76/135238576.db2.gz KWYUBRNJUFHSOI-RWMBFGLXSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000261547433 135240115 /nfs/dbraw/zinc/24/01/15/135240115.db2.gz IAFVTQCAASSGGK-CAEXGNQWSA-N 2 1 236.403 2.482 20 0 BEADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+]Cc1ccccc1 ZINC000261547111 135240173 /nfs/dbraw/zinc/24/01/73/135240173.db2.gz LVZJQLLYHYMAID-GFCCVEGCSA-N 2 1 240.297 2.021 20 0 BEADMP C[C@H]1CCC[C@H](CC[N@H+]2CCC[NH2+]CC2)C1 ZINC000078806684 135243224 /nfs/dbraw/zinc/24/32/24/135243224.db2.gz WYCZOPFJAUQWGY-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP CC1(C)CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000084386043 135244559 /nfs/dbraw/zinc/24/45/59/135244559.db2.gz YDABRZQDFMNXKU-GFCCVEGCSA-N 2 1 210.365 2.108 20 0 BEADMP N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1c1ccccc1 ZINC000261696211 135247057 /nfs/dbraw/zinc/24/70/57/135247057.db2.gz CQTUZPLMDIEPOK-LSDHHAIUSA-N 2 1 230.355 2.213 20 0 BEADMP [NH3+][C@@H]1CN(CC2CCC2)C[C@H]1c1ccccc1 ZINC000261696211 135247059 /nfs/dbraw/zinc/24/70/59/135247059.db2.gz CQTUZPLMDIEPOK-LSDHHAIUSA-N 2 1 230.355 2.213 20 0 BEADMP [NH3+][C@@H]1C[N@H+](CC2CCC2)C[C@H]1c1ccccc1 ZINC000261696211 135247061 /nfs/dbraw/zinc/24/70/61/135247061.db2.gz CQTUZPLMDIEPOK-LSDHHAIUSA-N 2 1 230.355 2.213 20 0 BEADMP [NH3+][C@@H]1C[N@@H+](CC2CCC2)C[C@H]1c1ccccc1 ZINC000261696211 135247062 /nfs/dbraw/zinc/24/70/62/135247062.db2.gz CQTUZPLMDIEPOK-LSDHHAIUSA-N 2 1 230.355 2.213 20 0 BEADMP C[C@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CC(C)(C)C1 ZINC000261714637 135247425 /nfs/dbraw/zinc/24/74/25/135247425.db2.gz FBDCNGKZOCFCTC-TZMCWYRMSA-N 2 1 224.392 2.354 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(N)c2)C1 ZINC000261748579 135249887 /nfs/dbraw/zinc/24/98/87/135249887.db2.gz VYYYQCKNYHUBMZ-AWEZNQCLSA-N 2 1 247.386 2.042 20 0 BEADMP CC(C)([NH3+])C[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000261792184 135253357 /nfs/dbraw/zinc/25/33/57/135253357.db2.gz GFGWLQOMAOOLHK-OAHLLOKOSA-N 2 1 232.371 2.387 20 0 BEADMP CC(C)([NH3+])C[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000261792184 135253358 /nfs/dbraw/zinc/25/33/58/135253358.db2.gz GFGWLQOMAOOLHK-OAHLLOKOSA-N 2 1 232.371 2.387 20 0 BEADMP C[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC12CCC2 ZINC000261917403 135262590 /nfs/dbraw/zinc/26/25/90/135262590.db2.gz ZUHBSANXONROJQ-KBPBESRZSA-N 2 1 236.403 2.498 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+](CC[NH3+])Cc1ccccc1 ZINC000261943962 135265318 /nfs/dbraw/zinc/26/53/18/135265318.db2.gz NDDYWENBQGVLOO-OCCSQVGLSA-N 2 1 218.344 2.103 20 0 BEADMP C[C@@H]1C[C@H]1C[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000261943962 135265319 /nfs/dbraw/zinc/26/53/19/135265319.db2.gz NDDYWENBQGVLOO-OCCSQVGLSA-N 2 1 218.344 2.103 20 0 BEADMP CC(C)[C@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261984035 135270031 /nfs/dbraw/zinc/27/00/31/135270031.db2.gz JMJBEQXJISNDLP-KBPBESRZSA-N 2 1 224.392 2.354 20 0 BEADMP CC(C)([NH3+])C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000261992488 135270325 /nfs/dbraw/zinc/27/03/25/135270325.db2.gz SMSQBZXOPOATGM-GFCCVEGCSA-N 2 1 236.334 2.352 20 0 BEADMP CC(C)([NH3+])C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000261992488 135270327 /nfs/dbraw/zinc/27/03/27/135270327.db2.gz SMSQBZXOPOATGM-GFCCVEGCSA-N 2 1 236.334 2.352 20 0 BEADMP C[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC12CCC2 ZINC000262012351 135272117 /nfs/dbraw/zinc/27/21/17/135272117.db2.gz VEJYUCKSNDTXOY-UONOGXRCSA-N 2 1 236.403 2.498 20 0 BEADMP C[C@H]1C[C@H]1C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000262033411 135275266 /nfs/dbraw/zinc/27/52/66/135275266.db2.gz XKPOAMOZFVKAQV-CYUUQNCZSA-N 2 1 230.355 2.069 20 0 BEADMP C[C@H]1C[C@H]1C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000262033411 135275268 /nfs/dbraw/zinc/27/52/68/135275268.db2.gz XKPOAMOZFVKAQV-CYUUQNCZSA-N 2 1 230.355 2.069 20 0 BEADMP C[C@]1(C[N@@H+](CC2CC2)C2CCC2)CC[NH2+]C1 ZINC000262064454 135277212 /nfs/dbraw/zinc/27/72/12/135277212.db2.gz RLCBZPNZLHLUKP-AWEZNQCLSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@H]1Cc2ccccc2C[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262118912 135279555 /nfs/dbraw/zinc/27/95/55/135279555.db2.gz XDZSNOYQAKZAKZ-XJKSGUPXSA-N 2 1 244.382 2.433 20 0 BEADMP c1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CC[NH2+]C1 ZINC000262115427 135279905 /nfs/dbraw/zinc/27/99/05/135279905.db2.gz MYNXBCWJKNZZFE-ZIAGYGMSSA-N 2 1 230.355 2.058 20 0 BEADMP C[C@]1(CCc2ccccc2)CC[N@H+](CC[NH3+])C1 ZINC000263077888 135331145 /nfs/dbraw/zinc/33/11/45/135331145.db2.gz XFEUHFRFDUZTQY-HNNXBMFYSA-N 2 1 232.371 2.290 20 0 BEADMP C[C@]1(CCc2ccccc2)CC[N@@H+](CC[NH3+])C1 ZINC000263077888 135331146 /nfs/dbraw/zinc/33/11/46/135331146.db2.gz XFEUHFRFDUZTQY-HNNXBMFYSA-N 2 1 232.371 2.290 20 0 BEADMP C(C1CCCCC1)[N@@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000299892913 135380784 /nfs/dbraw/zinc/38/07/84/135380784.db2.gz FSANDADYTGBVNK-KBPBESRZSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@H]([NH3+])C1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000086839917 135496926 /nfs/dbraw/zinc/49/69/26/135496926.db2.gz CMAUTULPBVGLIV-VIFPVBQESA-N 2 1 239.750 2.299 20 0 BEADMP Cc1cncc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000335024215 135866572 /nfs/dbraw/zinc/86/65/72/135866572.db2.gz ARYIGUOTASXWJE-KBPBESRZSA-N 2 1 233.359 2.140 20 0 BEADMP Cc1ncc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])s1 ZINC000335039901 135871420 /nfs/dbraw/zinc/87/14/20/135871420.db2.gz NFWDLIYTQWXGFS-VXGBXAGGSA-N 2 1 239.388 2.201 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)s1 ZINC000335326088 136051892 /nfs/dbraw/zinc/05/18/92/136051892.db2.gz VYAWZMAGMSGFAP-SNVBAGLBSA-N 2 1 247.367 2.427 20 0 BEADMP Cc1ccccc1C[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000335325968 136051916 /nfs/dbraw/zinc/05/19/16/136051916.db2.gz MYVRAHVCWBNZEJ-ZDUSSCGKSA-N 2 1 241.338 2.365 20 0 BEADMP FC1(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000348336940 136075793 /nfs/dbraw/zinc/07/57/93/136075793.db2.gz SPPNAIRNRHNKEM-OLZOCXBDSA-N 2 1 240.366 2.485 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](F)C2)[C@H]2CCC[C@@H]21 ZINC000348391220 136076219 /nfs/dbraw/zinc/07/62/19/136076219.db2.gz HUPQOSUVPLTAOD-ZSLBOAEBSA-N 2 1 240.366 2.339 20 0 BEADMP CC1(F)CC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000335373833 136084661 /nfs/dbraw/zinc/08/46/61/136084661.db2.gz OHBCBYZXPSWXOA-CQLXCSJHSA-N 2 1 226.339 2.093 20 0 BEADMP CC1(F)CC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000335373834 136084781 /nfs/dbraw/zinc/08/47/81/136084781.db2.gz OHBCBYZXPSWXOA-GMKTYKIGSA-N 2 1 226.339 2.093 20 0 BEADMP Cc1ccc2c(c1)[C@H]([NH2+]CC1C[NH2+]C1)CCCO2 ZINC000335552574 136098336 /nfs/dbraw/zinc/09/83/36/136098336.db2.gz OZAMUUPIDSPKMQ-CQSZACIVSA-N 2 1 246.354 2.018 20 0 BEADMP c1ccc2c(c1)SCC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000335553459 136098775 /nfs/dbraw/zinc/09/87/75/136098775.db2.gz WQEPUPMXEZXFKJ-LBPRGKRZSA-N 2 1 234.368 2.033 20 0 BEADMP Cc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)s1 ZINC000335560700 136105906 /nfs/dbraw/zinc/10/59/06/136105906.db2.gz MEQPKAGHKARBSJ-UHFFFAOYSA-N 2 1 236.384 2.384 20 0 BEADMP C[C@H]([NH2+][C@H]1CCCSC1)c1c[nH+]ccc1N ZINC000335565724 136107607 /nfs/dbraw/zinc/10/76/07/136107607.db2.gz RGPNURRJGRLCNO-UWVGGRQHSA-N 2 1 237.372 2.040 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]CC[NH3+])c2sccc21 ZINC000335570044 136109204 /nfs/dbraw/zinc/10/92/04/136109204.db2.gz YCUMRTRLZMSQEX-WPRPVWTQSA-N 2 1 210.346 2.235 20 0 BEADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC(C)(C)[NH3+] ZINC000335599112 136114075 /nfs/dbraw/zinc/11/40/75/136114075.db2.gz NPEJAXLZCYUHOC-RNCFNFMXSA-N 2 1 236.334 2.386 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000309600173 397865212 /nfs/dbraw/zinc/86/52/12/397865212.db2.gz XLQCONDYMDPRQQ-ZIAGYGMSSA-N 2 1 222.376 2.249 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000309600171 397865426 /nfs/dbraw/zinc/86/54/26/397865426.db2.gz XLQCONDYMDPRQQ-KGLIPLIRSA-N 2 1 222.376 2.249 20 0 BEADMP CC[C@H](F)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000440530033 397932409 /nfs/dbraw/zinc/93/24/09/397932409.db2.gz GJUJIKGXEJSYFZ-RYUDHWBXSA-N 2 1 216.344 2.151 20 0 BEADMP CC[C@H](F)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000440530033 397932414 /nfs/dbraw/zinc/93/24/14/397932414.db2.gz GJUJIKGXEJSYFZ-RYUDHWBXSA-N 2 1 216.344 2.151 20 0 BEADMP COc1cccc([C@H]2CCC[N@H+]2CCC[NH3+])c1 ZINC000414676913 398015776 /nfs/dbraw/zinc/01/57/76/398015776.db2.gz IEHATUYDDRQZQE-CQSZACIVSA-N 2 1 234.343 2.181 20 0 BEADMP C[C@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1[NH3+] ZINC000414763646 398027928 /nfs/dbraw/zinc/02/79/28/398027928.db2.gz NCCAJWVZKWSEBY-MXAVVETBSA-N 2 1 230.355 2.069 20 0 BEADMP C[C@H]1C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1[NH3+] ZINC000414763646 398027935 /nfs/dbraw/zinc/02/79/35/398027935.db2.gz NCCAJWVZKWSEBY-MXAVVETBSA-N 2 1 230.355 2.069 20 0 BEADMP CC[C@H](C)C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000093067130 398093800 /nfs/dbraw/zinc/09/38/00/398093800.db2.gz PSIWGHGJVWAULZ-RYUDHWBXSA-N 2 1 223.364 2.463 20 0 BEADMP CC[NH2+]CC[NH2+]C[C@@H]1CCC[C@H](CC)C1 ZINC000414829862 398051502 /nfs/dbraw/zinc/05/15/02/398051502.db2.gz NIIDKYNDRPNDMN-QWHCGFSZSA-N 2 1 212.381 2.402 20 0 BEADMP CC[NH2+]CC[NH2+]C[C@H]1CCC[C@H](CC)C1 ZINC000414829865 398051659 /nfs/dbraw/zinc/05/16/59/398051659.db2.gz NIIDKYNDRPNDMN-STQMWFEESA-N 2 1 212.381 2.402 20 0 BEADMP Cc1cc[nH+]c(NC2CCC([NH3+])CC2)c1 ZINC000051693788 398057431 /nfs/dbraw/zinc/05/74/31/398057431.db2.gz NLOWLXKVHYWZGM-UHFFFAOYSA-N 2 1 205.305 2.072 20 0 BEADMP C[N@@H+](Cc1ccccc1C1CC1)C1CC([NH3+])C1 ZINC000384898134 398116334 /nfs/dbraw/zinc/11/63/34/398116334.db2.gz VWKANVUICXQJPU-UHFFFAOYSA-N 2 1 230.355 2.486 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]Cc2cccs2)CC[N@@H+]1C ZINC000090721231 398112217 /nfs/dbraw/zinc/11/22/17/398112217.db2.gz YHCXPELEHCKDMM-GHMZBOCLSA-N 2 1 224.373 2.320 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]Cc2cccs2)CC[N@H+]1C ZINC000090721231 398112221 /nfs/dbraw/zinc/11/22/21/398112221.db2.gz YHCXPELEHCKDMM-GHMZBOCLSA-N 2 1 224.373 2.320 20 0 BEADMP CC[C@@H]1[C@@H](C)CC[N@H+]1CCCc1cncn1C ZINC000572012407 398129316 /nfs/dbraw/zinc/12/93/16/398129316.db2.gz ZKRQKZOHQYAYPG-GXTWGEPZSA-N 2 1 235.375 2.473 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCS2)CC1(C)C ZINC000623445463 398130821 /nfs/dbraw/zinc/13/08/21/398130821.db2.gz RVFLHRSGGUGWMJ-NWDGAFQWSA-N 2 1 242.432 2.344 20 0 BEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(F)(F)F ZINC000063101331 1172798555 /nfs/dbraw/zinc/79/85/55/1172798555.db2.gz XMADHYYKOJZLDF-PBINXNQUSA-N 2 1 236.281 2.154 20 0 BEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(F)(F)F ZINC000063101331 1172798559 /nfs/dbraw/zinc/79/85/59/1172798559.db2.gz XMADHYYKOJZLDF-PBINXNQUSA-N 2 1 236.281 2.154 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000685626129 487567329 /nfs/dbraw/zinc/56/73/29/487567329.db2.gz JOMYUBOFJAWCMA-MCIONIFRSA-N 2 1 242.407 2.264 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000685626129 487567332 /nfs/dbraw/zinc/56/73/32/487567332.db2.gz JOMYUBOFJAWCMA-MCIONIFRSA-N 2 1 242.407 2.264 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000393399181 487573779 /nfs/dbraw/zinc/57/37/79/487573779.db2.gz OSHFETMEHCKCDC-MQYQWHSLSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CS[C@H](C)C2)C1 ZINC000086935460 487592908 /nfs/dbraw/zinc/59/29/08/487592908.db2.gz XNXSLOZZELLKER-FRRDWIJNSA-N 2 1 242.432 2.200 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668820995 487595601 /nfs/dbraw/zinc/59/56/01/487595601.db2.gz ZZCGQSMIIVMAOT-BPLDGKMQSA-N 2 1 236.403 2.354 20 0 BEADMP CC1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC001651698333 1172976867 /nfs/dbraw/zinc/97/68/67/1172976867.db2.gz VIELEPHZLKWKGJ-FWJBWGTRSA-N 2 1 236.403 2.495 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cccs3)[C@@H]2C1 ZINC001651698259 1172977192 /nfs/dbraw/zinc/97/71/92/1172977192.db2.gz UDYXAXLYVBCINI-CYZMBNFOSA-N 2 1 236.384 2.178 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662246137 409541741 /nfs/dbraw/zinc/54/17/41/409541741.db2.gz PUWOFEAAWOKKDJ-UKRRQHHQSA-N 2 1 244.382 2.387 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662246135 409541860 /nfs/dbraw/zinc/54/18/60/409541860.db2.gz PUWOFEAAWOKKDJ-DZGCQCFKSA-N 2 1 244.382 2.387 20 0 BEADMP CC(C)=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662246899 409545216 /nfs/dbraw/zinc/54/52/16/409545216.db2.gz VGIMRKUTPKKNEG-OLZOCXBDSA-N 2 1 208.349 2.169 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662246899 409545224 /nfs/dbraw/zinc/54/52/24/409545224.db2.gz VGIMRKUTPKKNEG-OLZOCXBDSA-N 2 1 208.349 2.169 20 0 BEADMP CO[C@H](C[NH2+][C@](C)(C[NH3+])C1CC1)c1ccccc1 ZINC000662248107 409545666 /nfs/dbraw/zinc/54/56/66/409545666.db2.gz TYELLBJKFCSHGR-HUUCEWRRSA-N 2 1 248.370 2.091 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C[C@H]21 ZINC000662267435 409569468 /nfs/dbraw/zinc/56/94/68/409569468.db2.gz VVAWXKRJMLLBPD-QAUDVVSPSA-N 2 1 234.387 2.092 20 0 BEADMP CC[C@H]1C[N@@H+](CCC=C(C)C)CC[C@H]1[NH3+] ZINC000662269676 409572276 /nfs/dbraw/zinc/57/22/76/409572276.db2.gz CVFFTEVARRAWNN-QWHCGFSZSA-N 2 1 210.365 2.402 20 0 BEADMP CO[C@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)C1CCCC1 ZINC000662277283 409589887 /nfs/dbraw/zinc/58/98/87/409589887.db2.gz PEJVNZFPMCMMCW-OLZOCXBDSA-N 2 1 242.407 2.155 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662277866 409594056 /nfs/dbraw/zinc/59/40/56/409594056.db2.gz SIYZZLOOXXMYCZ-WCVJEAGWSA-N 2 1 248.414 2.498 20 0 BEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCC1CCC1 ZINC000662277274 409594769 /nfs/dbraw/zinc/59/47/69/409594769.db2.gz PBXQIHOCZBZPLH-MDZLAQPJSA-N 2 1 210.365 2.153 20 0 BEADMP CO[C@H](C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C)C1CCCC1 ZINC000662284273 409615137 /nfs/dbraw/zinc/61/51/37/409615137.db2.gz MJIRHMJSRGEEBY-IACUBPJLSA-N 2 1 240.391 2.003 20 0 BEADMP Cc1cc(F)ccc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647531191 487610807 /nfs/dbraw/zinc/61/08/07/487610807.db2.gz GCAAJADNGSMCQJ-UHFFFAOYSA-N 2 1 236.334 2.447 20 0 BEADMP C[C@@H](C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1)C(C)(C)C ZINC000308778195 409904692 /nfs/dbraw/zinc/90/46/92/409904692.db2.gz BITYDJCGAZNBRK-SDDRHHMPSA-N 2 1 212.381 2.338 20 0 BEADMP C[C@@H](c1ccccc1F)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000062014537 409983570 /nfs/dbraw/zinc/98/35/70/409983570.db2.gz ZNDXGLFPPNXIDS-NWDGAFQWSA-N 2 1 236.334 2.428 20 0 BEADMP C[C@@H](c1ccccc1F)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000062014537 409983574 /nfs/dbraw/zinc/98/35/74/409983574.db2.gz ZNDXGLFPPNXIDS-NWDGAFQWSA-N 2 1 236.334 2.428 20 0 BEADMP CC1(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663343769 410150507 /nfs/dbraw/zinc/15/05/07/410150507.db2.gz FAUITJXSTHSYOQ-AWEZNQCLSA-N 2 1 236.403 2.498 20 0 BEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cccc2c1CCC2 ZINC000650703637 410332363 /nfs/dbraw/zinc/33/23/63/410332363.db2.gz JXHAAOGVLLDZPG-MNOVXSKESA-N 2 1 218.344 2.001 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000650702788 410333241 /nfs/dbraw/zinc/33/32/41/410333241.db2.gz VAYHJRDYOSELLZ-CYBMUJFWSA-N 2 1 244.382 2.217 20 0 BEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc2c1CCC2 ZINC000650703186 410336428 /nfs/dbraw/zinc/33/64/28/410336428.db2.gz ORTMJTLUAYOFAR-QWHCGFSZSA-N 2 1 244.382 2.344 20 0 BEADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1nccs1 ZINC000650719169 410355432 /nfs/dbraw/zinc/35/54/32/410355432.db2.gz GMIPQECUYFVUAO-UHFFFAOYSA-N 2 1 247.367 2.152 20 0 BEADMP Cc1cnc(CN(C)CCCn2cc[nH+]c2C)o1 ZINC000136311352 410462747 /nfs/dbraw/zinc/46/27/47/410462747.db2.gz DMFYGKXQLVKELZ-UHFFFAOYSA-N 2 1 248.330 2.010 20 0 BEADMP COc1ccsc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000653279945 410631642 /nfs/dbraw/zinc/63/16/42/410631642.db2.gz NAOINBHUVOAVRQ-VHSXEESVSA-N 2 1 240.372 2.068 20 0 BEADMP COc1ccsc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000653279945 410631646 /nfs/dbraw/zinc/63/16/46/410631646.db2.gz NAOINBHUVOAVRQ-VHSXEESVSA-N 2 1 240.372 2.068 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc2c1CCC2 ZINC000653280256 410634349 /nfs/dbraw/zinc/63/43/49/410634349.db2.gz JFYJTMZPIDYIJT-IUODEOHRSA-N 2 1 244.382 2.487 20 0 BEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc2c1CCC2 ZINC000653280257 410634525 /nfs/dbraw/zinc/63/45/25/410634525.db2.gz JFYJTMZPIDYIJT-SWLSCSKDSA-N 2 1 244.382 2.487 20 0 BEADMP CC(C)C[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000020200621 167005061 /nfs/dbraw/zinc/00/50/61/167005061.db2.gz RYBHRZRAILRMSP-ZDUSSCGKSA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)[C@@H](C)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000036787479 167368475 /nfs/dbraw/zinc/36/84/75/167368475.db2.gz DKGNUDAEWGWEEQ-GFCCVEGCSA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020524081 167380686 /nfs/dbraw/zinc/38/06/86/167380686.db2.gz NYAKOTKWVZUILG-ODWCKFRGSA-N 2 1 210.365 2.246 20 0 BEADMP CC(C)[C@@H](C[NH2+][C@@H](C)C1CC1)[NH+]1CCCC1 ZINC000020200767 167399919 /nfs/dbraw/zinc/39/99/19/167399919.db2.gz JYHOCBNIJKQDRF-GXTWGEPZSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107573384 167597822 /nfs/dbraw/zinc/59/78/22/167597822.db2.gz HSGXPOGQUMUOHX-IYBDPMFKSA-N 2 1 244.382 2.461 20 0 BEADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(F)cc1 ZINC000019958568 411044523 /nfs/dbraw/zinc/04/45/23/411044523.db2.gz ZOPNEBSCGJCRQP-LLVKDONJSA-N 2 1 224.323 2.428 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+]CC1(C)CC1 ZINC000651865678 411147717 /nfs/dbraw/zinc/14/77/17/411147717.db2.gz DEJZUPRHBDQGLU-UHFFFAOYSA-N 2 1 212.381 2.354 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CSC[C@H]1C ZINC000651865229 411148113 /nfs/dbraw/zinc/14/81/13/411148113.db2.gz RDKCXAAOHKVTSR-CHWSQXEVSA-N 2 1 244.448 2.305 20 0 BEADMP CC(C)[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000070622067 411153665 /nfs/dbraw/zinc/15/36/65/411153665.db2.gz ZYULCDFUQHRBAL-ZIAGYGMSSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C2CC(CF)(CF)C2)CC[N@@H+]1C ZINC000657888758 411155005 /nfs/dbraw/zinc/15/50/05/411155005.db2.gz KFGZYORMLUGTPW-QWRGUYRKSA-N 2 1 246.345 2.147 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C2CC(CF)(CF)C2)CC[N@H+]1C ZINC000657888758 411155010 /nfs/dbraw/zinc/15/50/10/411155010.db2.gz KFGZYORMLUGTPW-QWRGUYRKSA-N 2 1 246.345 2.147 20 0 BEADMP C[C@@H]1C[C@H]([NH+](C)CC2CC=CC2)CC[N@@H+]1C ZINC000659983612 411155050 /nfs/dbraw/zinc/15/50/50/411155050.db2.gz QZGJPEPWIFDYPT-TZMCWYRMSA-N 2 1 222.376 2.367 20 0 BEADMP C[C@@H]1C[C@H]([NH+](C)CC2CC=CC2)CC[N@H+]1C ZINC000659983612 411155053 /nfs/dbraw/zinc/15/50/53/411155053.db2.gz QZGJPEPWIFDYPT-TZMCWYRMSA-N 2 1 222.376 2.367 20 0 BEADMP C[C@@H]1C[C@H]([N@H+](C)CC2CC=CC2)CC[NH+]1C ZINC000659983612 411155056 /nfs/dbraw/zinc/15/50/56/411155056.db2.gz QZGJPEPWIFDYPT-TZMCWYRMSA-N 2 1 222.376 2.367 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+](C)CC2CC=CC2)CC[NH+]1C ZINC000659983612 411155059 /nfs/dbraw/zinc/15/50/59/411155059.db2.gz QZGJPEPWIFDYPT-TZMCWYRMSA-N 2 1 222.376 2.367 20 0 BEADMP CC(C)(CC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)C1CC1 ZINC000655940718 411160564 /nfs/dbraw/zinc/16/05/64/411160564.db2.gz GBKDZEPKCPAAMN-JSGCOSHPSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)(CC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)C1CC1 ZINC000655940718 411160566 /nfs/dbraw/zinc/16/05/66/411160566.db2.gz GBKDZEPKCPAAMN-JSGCOSHPSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CC(CF)(CF)C1 ZINC000658016255 411198428 /nfs/dbraw/zinc/19/84/28/411198428.db2.gz KTGVJGJLKDQDJB-NSHDSACASA-N 2 1 248.361 2.393 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CC(CF)(CF)C1 ZINC000658016255 411198430 /nfs/dbraw/zinc/19/84/30/411198430.db2.gz KTGVJGJLKDQDJB-NSHDSACASA-N 2 1 248.361 2.393 20 0 BEADMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)[C@H]1CCCCO1 ZINC000656202095 411205989 /nfs/dbraw/zinc/20/59/89/411205989.db2.gz YHCRWVSVHSQVBU-XDQVBPFNSA-N 2 1 240.391 2.064 20 0 BEADMP COc1ccccc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000049826952 411245835 /nfs/dbraw/zinc/24/58/35/411245835.db2.gz PDEPZMOGERWFDR-UHFFFAOYSA-N 2 1 234.343 2.008 20 0 BEADMP CC[C@H](C)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349532 411210941 /nfs/dbraw/zinc/21/09/41/411210941.db2.gz ROOFPXFKPUEHRV-XDQVBPFNSA-N 2 1 240.391 2.003 20 0 BEADMP CCCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655683566 411224913 /nfs/dbraw/zinc/22/49/13/411224913.db2.gz HKFBOKHFOJBUAL-CQSZACIVSA-N 2 1 240.391 2.020 20 0 BEADMP CC[C@@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)[C@H]1CCOC1 ZINC000572413945 411230297 /nfs/dbraw/zinc/23/02/97/411230297.db2.gz AJENJELJLLXGHH-HZSPNIEDSA-N 2 1 242.407 2.120 20 0 BEADMP CC[C@@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)[C@H]1CCOC1 ZINC000572413945 411230300 /nfs/dbraw/zinc/23/03/00/411230300.db2.gz AJENJELJLLXGHH-HZSPNIEDSA-N 2 1 242.407 2.120 20 0 BEADMP CC1(C)[C@H]([NH2+]CC[NH3+])C[C@@H]1c1ccccc1 ZINC000423193550 411238010 /nfs/dbraw/zinc/23/80/10/411238010.db2.gz WXJYNSOKTURFCQ-CHWSQXEVSA-N 2 1 218.344 2.117 20 0 BEADMP Cc1cccc([C@H](C)[NH2+][C@H](C)C[NH3+])c1C ZINC000423326958 411238793 /nfs/dbraw/zinc/23/87/93/411238793.db2.gz NFBBPPOSOXMXBI-PWSUYJOCSA-N 2 1 206.333 2.301 20 0 BEADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)s1 ZINC000309790819 411239150 /nfs/dbraw/zinc/23/91/50/411239150.db2.gz UIENAJJMMDLIJJ-NXEZZACHSA-N 2 1 241.404 2.300 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCC2CCCCC2)CCO1 ZINC000123799132 411167381 /nfs/dbraw/zinc/16/73/81/411167381.db2.gz UPFVUDPQJKPSAJ-OCCSQVGLSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCC2CCCCC2)CCO1 ZINC000123799132 411167383 /nfs/dbraw/zinc/16/73/83/411167383.db2.gz UPFVUDPQJKPSAJ-OCCSQVGLSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CS1 ZINC000655712162 411267277 /nfs/dbraw/zinc/26/72/77/411267277.db2.gz RHUFVXBGZRFKBJ-AGIUHOORSA-N 2 1 242.432 2.202 20 0 BEADMP CC(C)C[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000050952580 411269847 /nfs/dbraw/zinc/26/98/47/411269847.db2.gz SFEIGNJCUWBKLN-UHFFFAOYSA-N 2 1 212.381 2.354 20 0 BEADMP CCCC[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000050952354 411269883 /nfs/dbraw/zinc/26/98/83/411269883.db2.gz WNXPQZZTZIGDFY-UHFFFAOYSA-N 2 1 212.381 2.498 20 0 BEADMP C[C@@H]1CCC[C@@H]([N@@H+](C)C[C@@H]2CC[NH2+]C2)C1 ZINC000051889673 411285229 /nfs/dbraw/zinc/28/52/29/411285229.db2.gz XABDLEAURPRWHR-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP CCC[N@H+](CC)CC[NH2+]CCC1CCOCC1 ZINC000383712504 411293152 /nfs/dbraw/zinc/29/31/52/411293152.db2.gz XBYMBNBPRYVIGC-UHFFFAOYSA-N 2 1 242.407 2.125 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+]CCC1CCOCC1 ZINC000383712504 411293154 /nfs/dbraw/zinc/29/31/54/411293154.db2.gz XBYMBNBPRYVIGC-UHFFFAOYSA-N 2 1 242.407 2.125 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1C ZINC000162105453 411296131 /nfs/dbraw/zinc/29/61/31/411296131.db2.gz SGDMAKGQBOMFMI-GFCCVEGCSA-N 2 1 221.348 2.456 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1C ZINC000162105453 411296135 /nfs/dbraw/zinc/29/61/35/411296135.db2.gz SGDMAKGQBOMFMI-GFCCVEGCSA-N 2 1 221.348 2.456 20 0 BEADMP C[C@H](c1ccncc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000311054583 411309548 /nfs/dbraw/zinc/30/95/48/411309548.db2.gz XVRULQZTEPBFFP-SNPRPXQTSA-N 2 1 245.370 2.203 20 0 BEADMP CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000300359374 168046762 /nfs/dbraw/zinc/04/67/62/168046762.db2.gz OVMULWGSSVCFKN-RYUDHWBXSA-N 2 1 208.349 2.003 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783361 411359696 /nfs/dbraw/zinc/35/96/96/411359696.db2.gz PWTFOTXWQBWWOT-VHDGCEQUSA-N 2 1 236.403 2.354 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[N@@H+](C)CC(C)(C)N ZINC000656786369 411365924 /nfs/dbraw/zinc/36/59/24/411365924.db2.gz XZEIDINGNHDUBB-NEPJUHHUSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H]1CCCC[C@H]1CN(C)CC(C)(C)[NH3+] ZINC000656786369 411365926 /nfs/dbraw/zinc/36/59/26/411365926.db2.gz XZEIDINGNHDUBB-NEPJUHHUSA-N 2 1 212.381 2.482 20 0 BEADMP COc1cccc(C[NH2+]CC2([NH3+])CCCC2)c1 ZINC000656788743 411367021 /nfs/dbraw/zinc/36/70/21/411367021.db2.gz YLJXNGHUWBQRJM-UHFFFAOYSA-N 2 1 234.343 2.056 20 0 BEADMP Cc1cc(C[NH2+]CC2([NH3+])CCCC2)ccc1F ZINC000656788125 411367701 /nfs/dbraw/zinc/36/77/01/411367701.db2.gz COBKQGPDEFEOCC-UHFFFAOYSA-N 2 1 236.334 2.495 20 0 BEADMP c1ccc([C@H]2CCC[C@@H]2[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000656788065 411368037 /nfs/dbraw/zinc/36/80/37/411368037.db2.gz OPINMGUHHSZUAD-ZNMIVQPWSA-N 2 1 230.355 2.274 20 0 BEADMP Cc1cc(NCC[N@@H+]2CC=C(C)CC2)cc[nH+]1 ZINC000302390465 168111519 /nfs/dbraw/zinc/11/15/19/168111519.db2.gz FRPZWTZOLYEKRS-UHFFFAOYSA-N 2 1 231.343 2.454 20 0 BEADMP CC1=CC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000285274567 168118151 /nfs/dbraw/zinc/11/81/51/168118151.db2.gz QZKKOIMNEFLQOR-CQSZACIVSA-N 2 1 220.360 2.337 20 0 BEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC1CC=CC1)C2 ZINC000660659645 411374481 /nfs/dbraw/zinc/37/44/81/411374481.db2.gz ACAKAYIWXYEGLH-OAHLLOKOSA-N 2 1 234.387 2.370 20 0 BEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC1CC=CC1)C2 ZINC000660659645 411374484 /nfs/dbraw/zinc/37/44/84/411374484.db2.gz ACAKAYIWXYEGLH-OAHLLOKOSA-N 2 1 234.387 2.370 20 0 BEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC1CC=CC1)C2 ZINC000660659645 411374492 /nfs/dbraw/zinc/37/44/92/411374492.db2.gz ACAKAYIWXYEGLH-OAHLLOKOSA-N 2 1 234.387 2.370 20 0 BEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC1CCC(C)CC1 ZINC000228067515 168154417 /nfs/dbraw/zinc/15/44/17/168154417.db2.gz UGWOEEBBRLWTCZ-FKZOYECMSA-N 2 1 224.392 2.482 20 0 BEADMP CC1CCC([N@@H+](C)C[C@@H]2CC[NH2+]C2)CC1 ZINC000051889636 168160152 /nfs/dbraw/zinc/16/01/52/168160152.db2.gz GQENONUDWHNNHU-OTTFEQOBSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404324972 411390510 /nfs/dbraw/zinc/39/05/10/411390510.db2.gz UFVNWHBLXICAMD-XQQFMLRXSA-N 2 1 212.381 2.482 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366486235 411382218 /nfs/dbraw/zinc/38/22/18/411382218.db2.gz CYEZBPYVHDEVDI-KBPBESRZSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[C@H](C)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366486235 411382225 /nfs/dbraw/zinc/38/22/25/411382225.db2.gz CYEZBPYVHDEVDI-KBPBESRZSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[C@H](C)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366486235 411382230 /nfs/dbraw/zinc/38/22/30/411382230.db2.gz CYEZBPYVHDEVDI-KBPBESRZSA-N 2 1 224.392 2.450 20 0 BEADMP CCC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000336772615 168281925 /nfs/dbraw/zinc/28/19/25/168281925.db2.gz YEGKBODKTPCFPA-RYUDHWBXSA-N 2 1 212.381 2.352 20 0 BEADMP Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])nc1 ZINC000404407984 411394168 /nfs/dbraw/zinc/39/41/68/411394168.db2.gz AZRWPCPQFPQRID-UKRRQHHQSA-N 2 1 247.386 2.339 20 0 BEADMP Cc1ccncc1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404410479 411395566 /nfs/dbraw/zinc/39/55/66/411395566.db2.gz CESGPANJFKOMOZ-UKRRQHHQSA-N 2 1 247.386 2.339 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000404502546 411398699 /nfs/dbraw/zinc/39/86/99/411398699.db2.gz FBAVXFNRRXHQJJ-UONOGXRCSA-N 2 1 242.407 2.249 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000404502546 411398702 /nfs/dbraw/zinc/39/87/02/411398702.db2.gz FBAVXFNRRXHQJJ-UONOGXRCSA-N 2 1 242.407 2.249 20 0 BEADMP CC[C@H]1C[N@H+](Cc2cnc(C)s2)CC[C@@H]1[NH3+] ZINC000122353044 411430238 /nfs/dbraw/zinc/43/02/38/411430238.db2.gz UJWYXJUBMIMGBY-JQWIXIFHSA-N 2 1 239.388 2.011 20 0 BEADMP CC[C@H]1C[N@@H+](Cc2cnc(C)s2)CC[C@@H]1[NH3+] ZINC000122353044 411430241 /nfs/dbraw/zinc/43/02/41/411430241.db2.gz UJWYXJUBMIMGBY-JQWIXIFHSA-N 2 1 239.388 2.011 20 0 BEADMP CN(C)c1cccc([C@@H]2CCC[N@H+]2CCC[NH3+])c1 ZINC000414705057 411440804 /nfs/dbraw/zinc/44/08/04/411440804.db2.gz NGIIABVTPOTMQP-HNNXBMFYSA-N 2 1 247.386 2.238 20 0 BEADMP CC(C)[NH2+]C1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC000660064715 411532815 /nfs/dbraw/zinc/53/28/15/411532815.db2.gz INAQDGXNXRPOFC-CYBMUJFWSA-N 2 1 240.391 2.016 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000217702362 411516756 /nfs/dbraw/zinc/51/67/56/411516756.db2.gz POOFGPGRLYLIBF-ZDUSSCGKSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000217702362 411516757 /nfs/dbraw/zinc/51/67/57/411516757.db2.gz POOFGPGRLYLIBF-ZDUSSCGKSA-N 2 1 242.407 2.266 20 0 BEADMP CC[C@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CO1 ZINC000657486955 411530981 /nfs/dbraw/zinc/53/09/81/411530981.db2.gz CZBANEWYWZJAPV-OCCSQVGLSA-N 2 1 240.391 2.018 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(C)C)C1 ZINC000037484233 170007826 /nfs/dbraw/zinc/00/78/26/170007826.db2.gz ORTXDMHKCCWORW-STQMWFEESA-N 2 1 212.381 2.352 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2C)C1 ZINC000037643770 170008005 /nfs/dbraw/zinc/00/80/05/170008005.db2.gz LLTJYSAZRBTBAZ-AWEZNQCLSA-N 2 1 232.371 2.426 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCOC)C[C@H]1C ZINC000336718079 170009472 /nfs/dbraw/zinc/00/94/72/170009472.db2.gz ZPSYWRFCHCFCJP-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCOC)C[C@H]1C ZINC000336718079 170009473 /nfs/dbraw/zinc/00/94/73/170009473.db2.gz ZPSYWRFCHCFCJP-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCOC)C[C@H]1C ZINC000336718079 170009474 /nfs/dbraw/zinc/00/94/74/170009474.db2.gz ZPSYWRFCHCFCJP-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CC2)C[C@H]1C ZINC000336648178 170009985 /nfs/dbraw/zinc/00/99/85/170009985.db2.gz NRSAZOIPPIDPJF-DGCLKSJQSA-N 2 1 210.365 2.201 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CC2)C[C@H]1C ZINC000336648178 170009986 /nfs/dbraw/zinc/00/99/86/170009986.db2.gz NRSAZOIPPIDPJF-DGCLKSJQSA-N 2 1 210.365 2.201 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CC2)C[C@H]1C ZINC000336648178 170009987 /nfs/dbraw/zinc/00/99/87/170009987.db2.gz NRSAZOIPPIDPJF-DGCLKSJQSA-N 2 1 210.365 2.201 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC000037643739 170015158 /nfs/dbraw/zinc/01/51/58/170015158.db2.gz UTQAFDPODBZMTB-CYBMUJFWSA-N 2 1 236.334 2.257 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C2(C)CC2)C1 ZINC000037484292 170016087 /nfs/dbraw/zinc/01/60/87/170016087.db2.gz PVVZWCUMLHUSID-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000337983867 170016786 /nfs/dbraw/zinc/01/67/86/170016786.db2.gz CHLOFLOWKSSAKB-VHDGCEQUSA-N 2 1 236.403 2.497 20 0 BEADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C)ccn2)C1 ZINC000285592669 170016883 /nfs/dbraw/zinc/01/68/83/170016883.db2.gz JHASWGZVNOYRCJ-UONOGXRCSA-N 2 1 247.386 2.382 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C)ccn2)C1 ZINC000285592669 170016884 /nfs/dbraw/zinc/01/68/84/170016884.db2.gz JHASWGZVNOYRCJ-UONOGXRCSA-N 2 1 247.386 2.382 20 0 BEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2occc2C)C1 ZINC000126684633 170016932 /nfs/dbraw/zinc/01/69/32/170016932.db2.gz UGXBBNQWWBFSIU-GFCCVEGCSA-N 2 1 222.332 2.019 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2occc2C)C1 ZINC000126684633 170016934 /nfs/dbraw/zinc/01/69/34/170016934.db2.gz UGXBBNQWWBFSIU-GFCCVEGCSA-N 2 1 222.332 2.019 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC2(C)C)C1 ZINC000308785935 170017340 /nfs/dbraw/zinc/01/73/40/170017340.db2.gz FNOTUNHGBBKSLK-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CCOC(C)C)C[C@H]1C ZINC000336689376 170018050 /nfs/dbraw/zinc/01/80/50/170018050.db2.gz HMLXROQIFOBNGX-KGLIPLIRSA-N 2 1 242.407 2.216 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CCOC(C)C)C[C@H]1C ZINC000336689376 170018051 /nfs/dbraw/zinc/01/80/51/170018051.db2.gz HMLXROQIFOBNGX-KGLIPLIRSA-N 2 1 242.407 2.216 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOC(C)C)C[C@H]1C ZINC000336689376 170018052 /nfs/dbraw/zinc/01/80/52/170018052.db2.gz HMLXROQIFOBNGX-KGLIPLIRSA-N 2 1 242.407 2.216 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C(F)F)CC2)[C@@H](C)C1 ZINC000355146724 170020091 /nfs/dbraw/zinc/02/00/91/170020091.db2.gz GTBURPPNQUIYEM-QWRGUYRKSA-N 2 1 246.345 2.352 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCC2(C)CC2)[C@@H](C)C1 ZINC000309465822 170020531 /nfs/dbraw/zinc/02/05/31/170020531.db2.gz PGMQVWHAKVLQAX-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCSC2)[C@@H](C)C1 ZINC000336779017 170020827 /nfs/dbraw/zinc/02/08/27/170020827.db2.gz MZGUFMJUXDOLFG-AVGNSLFASA-N 2 1 242.432 2.059 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC2(C)C)[C@@H](C)C1 ZINC000336778034 170022389 /nfs/dbraw/zinc/02/23/89/170022389.db2.gz KFTMDVOLWASZIW-AVGNSLFASA-N 2 1 224.392 2.495 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CSC2(C)C)[C@H](C)C1 ZINC000336779648 170022881 /nfs/dbraw/zinc/02/28/81/170022881.db2.gz PABRWJZNXNEKRN-WOPDTQHZSA-N 2 1 242.432 2.200 20 0 BEADMP CC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000334445245 170167279 /nfs/dbraw/zinc/16/72/79/170167279.db2.gz IYTYRZNDFIPHQF-UONOGXRCSA-N 2 1 218.344 2.431 20 0 BEADMP CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000334445245 170167281 /nfs/dbraw/zinc/16/72/81/170167281.db2.gz IYTYRZNDFIPHQF-UONOGXRCSA-N 2 1 218.344 2.431 20 0 BEADMP CCOC1(C[NH2+]C2CC[NH+](C)CC2)CCCC1 ZINC000336659768 170319043 /nfs/dbraw/zinc/31/90/43/170319043.db2.gz PZFVQZXJASNEPW-UHFFFAOYSA-N 2 1 240.391 2.020 20 0 BEADMP c1cc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)co1 ZINC000657653330 411570334 /nfs/dbraw/zinc/57/03/34/411570334.db2.gz JJZJZAPHNIFSGK-KGLIPLIRSA-N 2 1 234.343 2.039 20 0 BEADMP c1cc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)co1 ZINC000657653334 411570350 /nfs/dbraw/zinc/57/03/50/411570350.db2.gz JJZJZAPHNIFSGK-ZIAGYGMSSA-N 2 1 234.343 2.039 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CCOc2ccccc21 ZINC000162078511 487536103 /nfs/dbraw/zinc/53/61/03/487536103.db2.gz ANMMEJOYYLQXDX-ZDUSSCGKSA-N 2 1 248.370 2.094 20 0 BEADMP C[C@]1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1(F)F ZINC000657663457 411576689 /nfs/dbraw/zinc/57/66/89/411576689.db2.gz BOOHCBWMERGZBC-QJPTWQEYSA-N 2 1 244.329 2.248 20 0 BEADMP C[NH+]1CCC([NH2+]CCCC2CCC2)CC1 ZINC000657664446 411577358 /nfs/dbraw/zinc/57/73/58/411577358.db2.gz HTQHUFCDIKBBSO-UHFFFAOYSA-N 2 1 210.365 2.251 20 0 BEADMP C1C[C@@H]2[C@H](C1)[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657734111 411587657 /nfs/dbraw/zinc/58/76/57/411587657.db2.gz FNPDESKYLFJAOM-XHJNMGKDSA-N 2 1 220.360 2.001 20 0 BEADMP COc1cccc(C[NH2+]C2CC[NH+](C)CC2)c1C ZINC000657805069 411600374 /nfs/dbraw/zinc/60/03/74/411600374.db2.gz SUFWHTZCMBOMBW-UHFFFAOYSA-N 2 1 248.370 2.187 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660653566 411612968 /nfs/dbraw/zinc/61/29/68/411612968.db2.gz BNPCHSIBLAGYGS-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CC(C)CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660653566 411612970 /nfs/dbraw/zinc/61/29/70/411612970.db2.gz BNPCHSIBLAGYGS-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CC(C)CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660653566 411612971 /nfs/dbraw/zinc/61/29/71/411612971.db2.gz BNPCHSIBLAGYGS-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCSCC2)C1 ZINC000657875879 411615305 /nfs/dbraw/zinc/61/53/05/411615305.db2.gz IOJCBXXMDKMEIV-OLZOCXBDSA-N 2 1 242.432 2.204 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657875876 411615407 /nfs/dbraw/zinc/61/54/07/411615407.db2.gz IODHSKAWOIWAGI-LLVKDONJSA-N 2 1 246.345 2.006 20 0 BEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCCF)C2 ZINC000660665140 411615459 /nfs/dbraw/zinc/61/54/59/411615459.db2.gz URKDKPSJZRPULA-ZDUSSCGKSA-N 2 1 228.355 2.154 20 0 BEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCCF)C2 ZINC000660665140 411615460 /nfs/dbraw/zinc/61/54/60/411615460.db2.gz URKDKPSJZRPULA-ZDUSSCGKSA-N 2 1 228.355 2.154 20 0 BEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCCF)C2 ZINC000660665140 411615462 /nfs/dbraw/zinc/61/54/62/411615462.db2.gz URKDKPSJZRPULA-ZDUSSCGKSA-N 2 1 228.355 2.154 20 0 BEADMP CC[C@@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662366 411615944 /nfs/dbraw/zinc/61/59/44/411615944.db2.gz IXACTWLAMYJZHK-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660662366 411615945 /nfs/dbraw/zinc/61/59/45/411615945.db2.gz IXACTWLAMYJZHK-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660662366 411615946 /nfs/dbraw/zinc/61/59/46/411615946.db2.gz IXACTWLAMYJZHK-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662367 411616136 /nfs/dbraw/zinc/61/61/36/411616136.db2.gz IXACTWLAMYJZHK-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660662367 411616137 /nfs/dbraw/zinc/61/61/37/411616137.db2.gz IXACTWLAMYJZHK-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660662367 411616138 /nfs/dbraw/zinc/61/61/38/411616138.db2.gz IXACTWLAMYJZHK-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP C[N@@H+](CCNc1[nH+]ccc2[nH]ccc21)C1CC1 ZINC000663424236 411655039 /nfs/dbraw/zinc/65/50/39/411655039.db2.gz LIVGRAFCZWYUOA-UHFFFAOYSA-N 2 1 230.315 2.069 20 0 BEADMP C[C@H](c1cccc(F)c1)[N@@H+](C)CCC[NH3+] ZINC000133223527 411659164 /nfs/dbraw/zinc/65/91/64/411659164.db2.gz ZWQMLSUWVDFYJN-SNVBAGLBSA-N 2 1 210.296 2.167 20 0 BEADMP CC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663470554 411668539 /nfs/dbraw/zinc/66/85/39/411668539.db2.gz VBRVOMHKTWJRJU-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@@H]2CC2(C)C)CC[NH2+]1 ZINC000663513127 411694675 /nfs/dbraw/zinc/69/46/75/411694675.db2.gz ILZBCPUDLDCFSU-UPJWGTAASA-N 2 1 224.392 2.352 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000663514156 411694755 /nfs/dbraw/zinc/69/47/55/411694755.db2.gz NQQGLUZISGARKQ-DTWKUNHWSA-N 2 1 226.286 2.305 20 0 BEADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C[NH2+]C ZINC000663513138 411695403 /nfs/dbraw/zinc/69/54/03/411695403.db2.gz ISLRJOBPCBXPTR-GXTWGEPZSA-N 2 1 220.360 2.205 20 0 BEADMP CC[N@H+]1CCN(c2[nH+]ccc3[nH]ccc32)C[C@@H]1C ZINC000663743534 411736502 /nfs/dbraw/zinc/73/65/02/411736502.db2.gz BVHGHDBJOSZZDY-NSHDSACASA-N 2 1 244.342 2.093 20 0 BEADMP C(CC[N@H+]1CC[C@@H]2C[C@@H]2C1)C[NH+]1CC[C@H]2C[C@H]2C1 ZINC000661969473 411926642 /nfs/dbraw/zinc/92/66/42/411926642.db2.gz JNOFWTSCLDFUBB-GEEKYZPCSA-N 2 1 248.414 2.450 20 0 BEADMP C(CC[N@@H+]1CC[C@H]2C[C@H]2C1)C[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000661969473 411926647 /nfs/dbraw/zinc/92/66/47/411926647.db2.gz JNOFWTSCLDFUBB-GEEKYZPCSA-N 2 1 248.414 2.450 20 0 BEADMP C(CC[N@H+]1CC[C@H]2C[C@H]2C1)C[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000661969473 411926650 /nfs/dbraw/zinc/92/66/50/411926650.db2.gz JNOFWTSCLDFUBB-GEEKYZPCSA-N 2 1 248.414 2.450 20 0 BEADMP C(C[NH+]1CC[C@@H]2C[C@@H]2C1)C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000661972374 411929223 /nfs/dbraw/zinc/92/92/23/411929223.db2.gz PVDFFOAKOJUVTO-NMWPEEMBSA-N 2 1 234.387 2.060 20 0 BEADMP C(C[NH+]1CC[C@H]2C[C@H]2C1)C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661972374 411929228 /nfs/dbraw/zinc/92/92/28/411929228.db2.gz PVDFFOAKOJUVTO-NMWPEEMBSA-N 2 1 234.387 2.060 20 0 BEADMP C(C[NH+]1CC[C@H]2C[C@H]2C1)C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661972374 411929234 /nfs/dbraw/zinc/92/92/34/411929234.db2.gz PVDFFOAKOJUVTO-NMWPEEMBSA-N 2 1 234.387 2.060 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC000662244145 412039746 /nfs/dbraw/zinc/03/97/46/412039746.db2.gz DHIFCVGZEZZVHG-CYBMUJFWSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@](C[NH3+])([NH2+]CCCC1CCC1)C1CC1 ZINC000662247882 412044393 /nfs/dbraw/zinc/04/43/93/412044393.db2.gz NPOJPUGOHAWEQW-CYBMUJFWSA-N 2 1 210.365 2.284 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC000662247416 412045363 /nfs/dbraw/zinc/04/53/63/412045363.db2.gz XVIKZPGJBBTJOT-JQWIXIFHSA-N 2 1 249.358 2.111 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC000662247416 412045367 /nfs/dbraw/zinc/04/53/67/412045367.db2.gz XVIKZPGJBBTJOT-JQWIXIFHSA-N 2 1 249.358 2.111 20 0 BEADMP CN(CC[C@H]1CCC[N@H+]1C)CC1=CCSC1 ZINC000662262695 412052866 /nfs/dbraw/zinc/05/28/66/412052866.db2.gz CLLZXSALOBYPKK-CYBMUJFWSA-N 2 1 240.416 2.076 20 0 BEADMP C[N@H+](CC[C@H]1CCC[NH+]1C)CC1=CCSC1 ZINC000662262695 412052867 /nfs/dbraw/zinc/05/28/67/412052867.db2.gz CLLZXSALOBYPKK-CYBMUJFWSA-N 2 1 240.416 2.076 20 0 BEADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)CC1=CCSC1 ZINC000662262695 412052868 /nfs/dbraw/zinc/05/28/68/412052868.db2.gz CLLZXSALOBYPKK-CYBMUJFWSA-N 2 1 240.416 2.076 20 0 BEADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)CC1=CCSC1 ZINC000662262695 412052870 /nfs/dbraw/zinc/05/28/70/412052870.db2.gz CLLZXSALOBYPKK-CYBMUJFWSA-N 2 1 240.416 2.076 20 0 BEADMP C[NH+](CC[C@H]1CCC[N@H+]1C)CC1=CCSC1 ZINC000662262695 412052871 /nfs/dbraw/zinc/05/28/71/412052871.db2.gz CLLZXSALOBYPKK-CYBMUJFWSA-N 2 1 240.416 2.076 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336721493 171045461 /nfs/dbraw/zinc/04/54/61/171045461.db2.gz DRDUXMAHICCGMP-NDBYEHHHSA-N 2 1 210.365 2.247 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336721493 171045464 /nfs/dbraw/zinc/04/54/64/171045464.db2.gz DRDUXMAHICCGMP-NDBYEHHHSA-N 2 1 210.365 2.247 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000308937986 171058487 /nfs/dbraw/zinc/05/84/87/171058487.db2.gz LKKPIDGUGLGYST-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)=CCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000662272780 412064516 /nfs/dbraw/zinc/06/45/16/412064516.db2.gz POBGOYJCNKEADM-ZDUSSCGKSA-N 2 1 210.365 2.404 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000662274740 412067430 /nfs/dbraw/zinc/06/74/30/412067430.db2.gz WPSLGAKCNXRNBY-OLZOCXBDSA-N 2 1 208.349 2.027 20 0 BEADMP C1=CCC(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000662275284 412067748 /nfs/dbraw/zinc/06/77/48/412067748.db2.gz YVTBUCACEUDQEM-LSDHHAIUSA-N 2 1 234.387 2.274 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C[C@H](OC)C1CCCCC1 ZINC000662280341 412070686 /nfs/dbraw/zinc/07/06/86/412070686.db2.gz COGZYOAMPPJVGR-AWEZNQCLSA-N 2 1 242.407 2.123 20 0 BEADMP CCC(CC)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000662278054 412070901 /nfs/dbraw/zinc/07/09/01/412070901.db2.gz UTMUJWPHBISWJM-NTZNESFSSA-N 2 1 212.381 2.399 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC2CC=CC2)[C@@H]1CC[NH3+] ZINC000662285852 412077227 /nfs/dbraw/zinc/07/72/27/412077227.db2.gz NSCGGZTULOXDKW-TZMCWYRMSA-N 2 1 222.376 2.402 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](CC2CC=CC2)C[C@@H]1C[NH3+] ZINC000662281969 412072004 /nfs/dbraw/zinc/07/20/04/412072004.db2.gz AHOSPJDAPAEIIT-DYEKYZERSA-N 2 1 222.376 2.258 20 0 BEADMP C[C@@H]1C[C@@H](C)[N@@H+](CC2CC=CC2)C[C@@H]1C[NH3+] ZINC000662281967 412072149 /nfs/dbraw/zinc/07/21/49/412072149.db2.gz AHOSPJDAPAEIIT-BZPMIXESSA-N 2 1 222.376 2.258 20 0 BEADMP CC[C@@H](CC(F)F)C[N@@H+](C)CCC[NH2+]C ZINC000662282452 412072593 /nfs/dbraw/zinc/07/25/93/412072593.db2.gz VHVQEGGIQIAKLC-JTQLQIEISA-N 2 1 222.323 2.209 20 0 BEADMP CC[C@H](C)C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000336650931 171274570 /nfs/dbraw/zinc/27/45/70/171274570.db2.gz UJUOMSXISXUJSO-XQQFMLRXSA-N 2 1 212.381 2.305 20 0 BEADMP CC[C@H](C)C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000336650931 171274572 /nfs/dbraw/zinc/27/45/72/171274572.db2.gz UJUOMSXISXUJSO-XQQFMLRXSA-N 2 1 212.381 2.305 20 0 BEADMP CC[C@H](C)C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000336650931 171274574 /nfs/dbraw/zinc/27/45/74/171274574.db2.gz UJUOMSXISXUJSO-XQQFMLRXSA-N 2 1 212.381 2.305 20 0 BEADMP CC[C@H](C)C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000336650931 171274576 /nfs/dbraw/zinc/27/45/76/171274576.db2.gz UJUOMSXISXUJSO-XQQFMLRXSA-N 2 1 212.381 2.305 20 0 BEADMP Cc1ccc2c(c1)C[N@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000662298807 412085672 /nfs/dbraw/zinc/08/56/72/412085672.db2.gz HEUPCZZYDOUCRB-CQSZACIVSA-N 2 1 244.382 2.353 20 0 BEADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037485308 171365864 /nfs/dbraw/zinc/36/58/64/171365864.db2.gz OZWIZDBLMKUSEG-XQQFMLRXSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000037484271 171365963 /nfs/dbraw/zinc/36/59/63/171365963.db2.gz PPFDCIHSNHBGOP-XQQFMLRXSA-N 2 1 212.381 2.352 20 0 BEADMP C[N@H+](CC(C)(C)[NH3+])[C@H]1CCc2ccc(F)cc21 ZINC000662292809 412081854 /nfs/dbraw/zinc/08/18/54/412081854.db2.gz NAIIEMRUIMDTLG-ZDUSSCGKSA-N 2 1 236.334 2.482 20 0 BEADMP C[N@@H+](CC(C)(C)[NH3+])[C@H]1CCc2ccc(F)cc21 ZINC000662292809 412081858 /nfs/dbraw/zinc/08/18/58/412081858.db2.gz NAIIEMRUIMDTLG-ZDUSSCGKSA-N 2 1 236.334 2.482 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662307047 412089584 /nfs/dbraw/zinc/08/95/84/412089584.db2.gz VAXHZZLTWFNIRM-GRZMOONWSA-N 2 1 232.318 2.091 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662307047 412089588 /nfs/dbraw/zinc/08/95/88/412089588.db2.gz VAXHZZLTWFNIRM-GRZMOONWSA-N 2 1 232.318 2.091 20 0 BEADMP [NH3+]CC12CC(C1)C[N@@H+]2CCCc1cccc(F)c1 ZINC000662303418 412089607 /nfs/dbraw/zinc/08/96/07/412089607.db2.gz CZGMISLSGTZPAO-UHFFFAOYSA-N 2 1 248.345 2.181 20 0 BEADMP [NH3+]CC12CC(C1)C[N@H+]2CCCc1cccc(F)c1 ZINC000662303418 412089611 /nfs/dbraw/zinc/08/96/11/412089611.db2.gz CZGMISLSGTZPAO-UHFFFAOYSA-N 2 1 248.345 2.181 20 0 BEADMP CC[N@H+](Cc1ccc(C)cc1)C[C@@H]1CC[NH2+]C1 ZINC000662304068 412089706 /nfs/dbraw/zinc/08/97/06/412089706.db2.gz FAPGJGHAOHAYOF-OAHLLOKOSA-N 2 1 232.371 2.426 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662306312 412090564 /nfs/dbraw/zinc/09/05/64/412090564.db2.gz QEZUUWLVEZLVRM-ZIHBUVQPSA-N 2 1 222.376 2.236 20 0 BEADMP CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000662318856 412097566 /nfs/dbraw/zinc/09/75/66/412097566.db2.gz HRBYOMJKJHCOBF-YNEHKIRRSA-N 2 1 210.365 2.249 20 0 BEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000662316303 412097763 /nfs/dbraw/zinc/09/77/63/412097763.db2.gz ZOJKMASOOSXINP-KBPBESRZSA-N 2 1 222.376 2.108 20 0 BEADMP C(C[N@H+]1CCC[C@@H](C2CCC2)C1)[C@H]1CC[NH2+]C1 ZINC000662317275 412098462 /nfs/dbraw/zinc/09/84/62/412098462.db2.gz OBGLBTOOXMSJLK-UKRRQHHQSA-N 2 1 236.403 2.498 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC2CC2)[C@@H]1CCC[NH3+] ZINC000662316706 412098704 /nfs/dbraw/zinc/09/87/04/412098704.db2.gz MGPNIKJEYXWDSC-DGCLKSJQSA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@H](C)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319147 412099150 /nfs/dbraw/zinc/09/91/50/412099150.db2.gz FMIAHFDZJBGLFE-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP [NH3+]CCC[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000662319954 412100395 /nfs/dbraw/zinc/10/03/95/412100395.db2.gz RFLPLXHPWOOUDO-ZDUSSCGKSA-N 2 1 210.365 2.380 20 0 BEADMP [NH3+]CC[N@@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000662320262 412100622 /nfs/dbraw/zinc/10/06/22/412100622.db2.gz ARZYMWQYNJRBPY-CYBMUJFWSA-N 2 1 210.365 2.237 20 0 BEADMP [NH3+]CC[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000662320262 412100624 /nfs/dbraw/zinc/10/06/24/412100624.db2.gz ARZYMWQYNJRBPY-CYBMUJFWSA-N 2 1 210.365 2.237 20 0 BEADMP CC[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccncc1 ZINC000665247142 412193235 /nfs/dbraw/zinc/19/32/35/412193235.db2.gz WLEINPADSRVOPF-CYBMUJFWSA-N 2 1 233.359 2.394 20 0 BEADMP Cc1ccc2oc(C[NH2+][C@@H](C)C3C[NH2+]C3)cc2c1 ZINC000665261669 412204758 /nfs/dbraw/zinc/20/47/58/412204758.db2.gz JFDHMTKBHOLCAS-NSHDSACASA-N 2 1 244.338 2.439 20 0 BEADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccccn1 ZINC000665232052 412170298 /nfs/dbraw/zinc/17/02/98/412170298.db2.gz FCPINYRHYBEMNR-IPYPFGDCSA-N 2 1 247.386 2.305 20 0 BEADMP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000665276692 412218775 /nfs/dbraw/zinc/21/87/75/412218775.db2.gz KJNKGFTUFZJJDO-BLZCZZARSA-N 2 1 230.355 2.479 20 0 BEADMP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000665276693 412219846 /nfs/dbraw/zinc/21/98/46/412219846.db2.gz KJNKGFTUFZJJDO-HNFVBEJKSA-N 2 1 230.355 2.479 20 0 BEADMP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277684 412221389 /nfs/dbraw/zinc/22/13/89/412221389.db2.gz IHGKTNIDOJZQRQ-UUGHVDCASA-N 2 1 242.366 2.262 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000665297343 412244709 /nfs/dbraw/zinc/24/47/09/412244709.db2.gz DMBYZDSWPYMBGI-AAEUAGOBSA-N 2 1 212.381 2.399 20 0 BEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC3CC3)CC[C@H]21 ZINC000335904939 173036378 /nfs/dbraw/zinc/03/63/78/173036378.db2.gz NYEYWFWAYBDVLA-ZIAGYGMSSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC3CC3)CC[C@H]21 ZINC000335904939 173036380 /nfs/dbraw/zinc/03/63/80/173036380.db2.gz NYEYWFWAYBDVLA-ZIAGYGMSSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC3CC3)CC[C@H]21 ZINC000335904939 173036381 /nfs/dbraw/zinc/03/63/81/173036381.db2.gz NYEYWFWAYBDVLA-ZIAGYGMSSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@H+]1CCC[C@]2(CC[NH+](CCCCF)C2)C1 ZINC000339441119 173061763 /nfs/dbraw/zinc/06/17/63/173061763.db2.gz OSHQBIGKXWBNBW-ZDUSSCGKSA-N 2 1 228.355 2.154 20 0 BEADMP C[NH+]1CCC[C@]2(CC[N@H+](CCCCF)C2)C1 ZINC000339441119 173061765 /nfs/dbraw/zinc/06/17/65/173061765.db2.gz OSHQBIGKXWBNBW-ZDUSSCGKSA-N 2 1 228.355 2.154 20 0 BEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCCF)C2)C1 ZINC000339441119 173061766 /nfs/dbraw/zinc/06/17/66/173061766.db2.gz OSHQBIGKXWBNBW-ZDUSSCGKSA-N 2 1 228.355 2.154 20 0 BEADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccco2)C1 ZINC000290372145 173136876 /nfs/dbraw/zinc/13/68/76/173136876.db2.gz HMYDIICSMWIZDL-TZMCWYRMSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccco2)C1 ZINC000290372145 173136877 /nfs/dbraw/zinc/13/68/77/173136877.db2.gz HMYDIICSMWIZDL-TZMCWYRMSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccco2)C1 ZINC000290372145 173136879 /nfs/dbraw/zinc/13/68/79/173136879.db2.gz HMYDIICSMWIZDL-TZMCWYRMSA-N 2 1 234.343 2.196 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC2(C)C)[C@@H]2CCC[C@@H]21 ZINC000353399067 173151598 /nfs/dbraw/zinc/15/15/98/173151598.db2.gz ANQSOZWLXUWSGI-XUXIUFHCSA-N 2 1 236.403 2.495 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C)[C@H]2CCC[C@H]21 ZINC000368600184 173152345 /nfs/dbraw/zinc/15/23/45/173152345.db2.gz AYLGWYYKZBCPIR-FRRDWIJNSA-N 2 1 224.392 2.495 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2)[C@H]2CCC[C@H]21 ZINC000367620691 173152757 /nfs/dbraw/zinc/15/27/57/173152757.db2.gz QUGOVTIOUXRJRX-QLFBSQMISA-N 2 1 245.370 2.044 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2)[C@@H]2CCC[C@@H]21 ZINC000367620690 173153169 /nfs/dbraw/zinc/15/31/69/173153169.db2.gz QUGOVTIOUXRJRX-KKUMJFAQSA-N 2 1 245.370 2.044 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccco2)[C@@H]2CCC[C@@H]21 ZINC000367619979 173153582 /nfs/dbraw/zinc/15/35/82/173153582.db2.gz XMQUOFYVMVJZKM-IHRRRGAJSA-N 2 1 234.343 2.242 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccoc2)[C@@H]2CCC[C@@H]21 ZINC000367527913 173153921 /nfs/dbraw/zinc/15/39/21/173153921.db2.gz UHCYEEHGFMMIJS-IHRRRGAJSA-N 2 1 234.343 2.242 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC2(C)C)[C@H]2CCC[C@@H]21 ZINC000336726545 173155105 /nfs/dbraw/zinc/15/51/05/173155105.db2.gz CCSCJFYWAXFXHA-MROQNXINSA-N 2 1 222.376 2.247 20 0 BEADMP C[NH2+]CCC[N@@H+](C)[C@H]1CCc2ccccc2C1 ZINC000124798858 173346758 /nfs/dbraw/zinc/34/67/58/173346758.db2.gz MCSHONRMXBZQES-HNNXBMFYSA-N 2 1 232.371 2.085 20 0 BEADMP C[NH2+]CCC[NH2+]Cc1ccc(Cl)s1 ZINC000070600435 173349265 /nfs/dbraw/zinc/34/92/65/173349265.db2.gz NPVUTORPAGRIGM-UHFFFAOYSA-N 2 1 218.753 2.101 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC000063145791 173369907 /nfs/dbraw/zinc/36/99/07/173369907.db2.gz IKBLZEIVXOJSKB-RUXDESIVSA-N 2 1 224.392 2.354 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000251526907 173370450 /nfs/dbraw/zinc/37/04/50/173370450.db2.gz LZWHOWKJRAMZKN-OLZOCXBDSA-N 2 1 218.344 2.289 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(C)ccc2OC)C1 ZINC000071146820 173370671 /nfs/dbraw/zinc/37/06/71/173370671.db2.gz SNBQOZSZHQZHOV-ZDUSSCGKSA-N 2 1 248.370 2.045 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(C)ccc2OC)C1 ZINC000071146820 173370672 /nfs/dbraw/zinc/37/06/72/173370672.db2.gz SNBQOZSZHQZHOV-ZDUSSCGKSA-N 2 1 248.370 2.045 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC000300965187 173371000 /nfs/dbraw/zinc/37/10/00/173371000.db2.gz RLIJABTYJGVGLW-STQMWFEESA-N 2 1 212.381 2.210 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000053158081 173371253 /nfs/dbraw/zinc/37/12/53/173371253.db2.gz ZGRSEMQLYCICOH-LBPRGKRZSA-N 2 1 238.762 2.381 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000053158081 173371255 /nfs/dbraw/zinc/37/12/55/173371255.db2.gz ZGRSEMQLYCICOH-LBPRGKRZSA-N 2 1 238.762 2.381 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000011888690 173378820 /nfs/dbraw/zinc/37/88/20/173378820.db2.gz NBDZLTAQQKGRPX-OAHLLOKOSA-N 2 1 232.371 2.426 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000336578217 173382072 /nfs/dbraw/zinc/38/20/72/173382072.db2.gz XWAMORDMIVXZQN-IAQYHMDHSA-N 2 1 248.345 2.354 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC000071142056 173382183 /nfs/dbraw/zinc/38/21/83/173382183.db2.gz HUAYMWCXJAUOTH-CQSZACIVSA-N 2 1 232.371 2.345 20 0 BEADMP COCCC[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000336723612 174261853 /nfs/dbraw/zinc/26/18/53/174261853.db2.gz ATXCKOLRZOFLFB-OLZOCXBDSA-N 2 1 230.396 2.120 20 0 BEADMP COCCC[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000336723612 174261854 /nfs/dbraw/zinc/26/18/54/174261854.db2.gz ATXCKOLRZOFLFB-OLZOCXBDSA-N 2 1 230.396 2.120 20 0 BEADMP COCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340179969 174339514 /nfs/dbraw/zinc/33/95/14/174339514.db2.gz ZSZVWMSKYUHTIH-HUUCEWRRSA-N 2 1 248.370 2.058 20 0 BEADMP COCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340179969 174339515 /nfs/dbraw/zinc/33/95/15/174339515.db2.gz ZSZVWMSKYUHTIH-HUUCEWRRSA-N 2 1 248.370 2.058 20 0 BEADMP COc1ccc(C)cc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131691691 175075462 /nfs/dbraw/zinc/07/54/62/175075462.db2.gz NYKAIWCVHBKNNN-STQMWFEESA-N 2 1 248.370 2.173 20 0 BEADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000107954025 175099877 /nfs/dbraw/zinc/09/98/77/175099877.db2.gz LMXRJYXRGGDZGW-OCCSQVGLSA-N 2 1 248.370 2.254 20 0 BEADMP COc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000163440291 175260048 /nfs/dbraw/zinc/26/00/48/175260048.db2.gz NXWQVNKJBIOQMK-OCCSQVGLSA-N 2 1 248.370 2.112 20 0 BEADMP COc1cccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000163440407 175260621 /nfs/dbraw/zinc/26/06/21/175260621.db2.gz NXWQVNKJBIOQMK-JSGCOSHPSA-N 2 1 248.370 2.112 20 0 BEADMP COc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000113516492 175260705 /nfs/dbraw/zinc/26/07/05/175260705.db2.gz JWQDDGXLTCTVIB-CQSZACIVSA-N 2 1 248.370 2.079 20 0 BEADMP COc1cccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000113516492 175260706 /nfs/dbraw/zinc/26/07/06/175260706.db2.gz JWQDDGXLTCTVIB-CQSZACIVSA-N 2 1 248.370 2.079 20 0 BEADMP COc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000090720205 175267893 /nfs/dbraw/zinc/26/78/93/175267893.db2.gz CDCILXJLVUVTOC-JSGCOSHPSA-N 2 1 248.370 2.268 20 0 BEADMP COc1cccc([C@H](C)[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000094338948 175292333 /nfs/dbraw/zinc/29/23/33/175292333.db2.gz VKZRCAVKEOWNQG-HUBLWGQQSA-N 2 1 248.370 2.425 20 0 BEADMP COc1cccc([C@H](C)[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000094338947 175292750 /nfs/dbraw/zinc/29/27/50/175292750.db2.gz VKZRCAVKEOWNQG-XUJVJEKNSA-N 2 1 248.370 2.425 20 0 BEADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCC(C)(C)CC1 ZINC000087287466 487631865 /nfs/dbraw/zinc/63/18/65/487631865.db2.gz DILDPKCBDLHIKE-GFCCVEGCSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H](c1cccc(F)c1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000108278759 176018090 /nfs/dbraw/zinc/01/80/90/176018090.db2.gz JZLMABQRXXQCLW-WCFLWFBJSA-N 2 1 234.318 2.038 20 0 BEADMP C[C@@H](c1cccc(F)c1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000108278759 176018091 /nfs/dbraw/zinc/01/80/91/176018091.db2.gz JZLMABQRXXQCLW-WCFLWFBJSA-N 2 1 234.318 2.038 20 0 BEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000238455247 176021671 /nfs/dbraw/zinc/02/16/71/176021671.db2.gz NKAROOLZORJQCJ-JSGCOSHPSA-N 2 1 218.344 2.418 20 0 BEADMP C[C@@H](c1ccncc1)[N@@H+](C)CCc1cncn1C ZINC000289505061 176034315 /nfs/dbraw/zinc/03/43/15/176034315.db2.gz DUCNINUYUNMISR-LBPRGKRZSA-N 2 1 244.342 2.051 20 0 BEADMP C[C@@H]1CCC[N@H+](CC[NH2+]C(C)(C)C)[C@@H]1C ZINC000050564282 176098008 /nfs/dbraw/zinc/09/80/08/176098008.db2.gz FRONUNUWBYTUGP-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC[NH2+]C(C)(C)C)[C@@H]1C ZINC000050564282 176098010 /nfs/dbraw/zinc/09/80/10/176098010.db2.gz FRONUNUWBYTUGP-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)[C@@H]1C ZINC000019963157 176122395 /nfs/dbraw/zinc/12/23/95/176122395.db2.gz OCXYJURIFZNPON-YRGRVCCFSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000037248676 176122957 /nfs/dbraw/zinc/12/29/57/176122957.db2.gz KAXPNNBZCDLPKH-DGCLKSJQSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@@H](C[NH3+])C2)C1 ZINC000226869778 176136428 /nfs/dbraw/zinc/13/64/28/176136428.db2.gz BNYFRJVVAAVKJT-MCIONIFRSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@@H]([NH3+])C2)C1 ZINC000226869462 176136851 /nfs/dbraw/zinc/13/68/51/176136851.db2.gz HCRQXGXLRVFCLG-JHJVBQTASA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@@H]([NH3+])C2)C1 ZINC000226869462 176136853 /nfs/dbraw/zinc/13/68/53/176136853.db2.gz HCRQXGXLRVFCLG-JHJVBQTASA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1CCC[C@H]([N@@H+](C)CC2CC[NH2+]CC2)C1 ZINC000042495694 176140753 /nfs/dbraw/zinc/14/07/53/176140753.db2.gz HUMOLXMHUWORFZ-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CCC[C@](C[NH2+]CC2CC2)([NH+](C)C)C1 ZINC000040668773 176152187 /nfs/dbraw/zinc/15/21/87/176152187.db2.gz RIFCQHIKZPDRRE-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccccc1 ZINC000275296918 176269496 /nfs/dbraw/zinc/26/94/96/176269496.db2.gz PMTQEFRTNMTHJU-UKRRQHHQSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccccc1 ZINC000275296918 176269498 /nfs/dbraw/zinc/26/94/98/176269498.db2.gz PMTQEFRTNMTHJU-UKRRQHHQSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccccc1 ZINC000275296918 176269500 /nfs/dbraw/zinc/26/95/00/176269500.db2.gz PMTQEFRTNMTHJU-UKRRQHHQSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccccc1 ZINC000275296918 176269501 /nfs/dbraw/zinc/26/95/01/176269501.db2.gz PMTQEFRTNMTHJU-UKRRQHHQSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000302212516 176270099 /nfs/dbraw/zinc/27/00/99/176270099.db2.gz XWTJNLFAVVKOJY-WOPDTQHZSA-N 2 1 246.345 2.352 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1 ZINC000242522352 176270448 /nfs/dbraw/zinc/27/04/48/176270448.db2.gz IOHGIIBXOUYHLW-TZMCWYRMSA-N 2 1 218.344 2.116 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000309798614 176278485 /nfs/dbraw/zinc/27/84/85/176278485.db2.gz QSIZYOUBZNPJIM-VEGXAWMVSA-N 2 1 228.355 2.195 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000336781417 176279121 /nfs/dbraw/zinc/27/91/21/176279121.db2.gz UPZKXKVCIPUXBL-FXPVBKGRSA-N 2 1 232.318 2.102 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CCC1 ZINC000036908570 176279234 /nfs/dbraw/zinc/27/92/34/176279234.db2.gz JKIVNZGGCZWCHQ-WZRBSPASSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000154416484 176280454 /nfs/dbraw/zinc/28/04/54/176280454.db2.gz KLMNYISMHITNOT-LALPHHSUSA-N 2 1 248.370 2.211 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000154416484 176280455 /nfs/dbraw/zinc/28/04/55/176280455.db2.gz KLMNYISMHITNOT-LALPHHSUSA-N 2 1 248.370 2.211 20 0 BEADMP C[C@@H]1C[N@@H+](CCC2CCCC2)CC[C@H]1[NH3+] ZINC000251891950 176288205 /nfs/dbraw/zinc/28/82/05/176288205.db2.gz VQPPCRBHGUAXFG-DGCLKSJQSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@H]1C ZINC000336650835 176292862 /nfs/dbraw/zinc/29/28/62/176292862.db2.gz TYIXCIYRMDZWGD-XQQFMLRXSA-N 2 1 210.365 2.059 20 0 BEADMP C[C@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000336650835 176292863 /nfs/dbraw/zinc/29/28/63/176292863.db2.gz TYIXCIYRMDZWGD-XQQFMLRXSA-N 2 1 210.365 2.059 20 0 BEADMP C[C@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC000336650835 176292865 /nfs/dbraw/zinc/29/28/65/176292865.db2.gz TYIXCIYRMDZWGD-XQQFMLRXSA-N 2 1 210.365 2.059 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000042864363 176297728 /nfs/dbraw/zinc/29/77/28/176297728.db2.gz FSQXNGIFBWULKA-MQYQWHSLSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]1(C)C[NH3+] ZINC000307406153 176306695 /nfs/dbraw/zinc/30/66/95/176306695.db2.gz DCDLJOKASDKHAU-TZMCWYRMSA-N 2 1 218.344 2.103 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2cccs2)C[C@@]1(C)C[NH3+] ZINC000309029198 176307605 /nfs/dbraw/zinc/30/76/05/176307605.db2.gz ADWNLQYKYKYUDQ-ZYHUDNBSSA-N 2 1 224.373 2.165 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@@]1(C)C[NH3+] ZINC000310412693 176307742 /nfs/dbraw/zinc/30/77/42/176307742.db2.gz XDIJBOUYBQIGSH-BXUZGUMPSA-N 2 1 236.334 2.242 20 0 BEADMP C[C@@H]1C[C@@H](C)C[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000124638032 176361484 /nfs/dbraw/zinc/36/14/84/176361484.db2.gz HNXRRYUWJZSYEN-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000309732274 176395584 /nfs/dbraw/zinc/39/55/84/176395584.db2.gz BLMSQLBBNLNNAT-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000309506950 176395594 /nfs/dbraw/zinc/39/55/94/176395594.db2.gz WCUPNCZEXPWPDP-DUJLVANISA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309775593 176398183 /nfs/dbraw/zinc/39/81/83/176398183.db2.gz LPSZJWSLJCBQIJ-DHGKCCLASA-N 2 1 222.376 2.105 20 0 BEADMP C[C@H]([NH2+]CCC[NH3+])c1c(F)cccc1Cl ZINC000308979017 176844581 /nfs/dbraw/zinc/84/45/81/176844581.db2.gz DCRDVHMUWFEOPR-QMMMGPOBSA-N 2 1 230.714 2.479 20 0 BEADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527646 177038338 /nfs/dbraw/zinc/03/83/38/177038338.db2.gz NVTLGACRAYICGY-CHWSQXEVSA-N 2 1 218.344 2.418 20 0 BEADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000114410051 177039436 /nfs/dbraw/zinc/03/94/36/177039436.db2.gz NVTLGACRAYICGY-OLZOCXBDSA-N 2 1 218.344 2.418 20 0 BEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000238405695 177040361 /nfs/dbraw/zinc/04/03/61/177040361.db2.gz NKAROOLZORJQCJ-OCCSQVGLSA-N 2 1 218.344 2.418 20 0 BEADMP C[C@H](c1cccnc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000094010922 177044655 /nfs/dbraw/zinc/04/46/55/177044655.db2.gz NAMFRWOCWVLKGS-GFCCVEGCSA-N 2 1 233.359 2.074 20 0 BEADMP C[C@H]1CCC[N@H+](C[C@H]([NH3+])Cc2ccccc2)C1 ZINC000037115960 177099997 /nfs/dbraw/zinc/09/99/97/177099997.db2.gz KBXXQGMLBLCCMA-DZGCQCFKSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@H]1CCC[N@@H+](C[C@H]([NH3+])Cc2ccccc2)C1 ZINC000037115960 177099998 /nfs/dbraw/zinc/09/99/98/177099998.db2.gz KBXXQGMLBLCCMA-DZGCQCFKSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC1CC[NH2+]CC1 ZINC000019487174 177115885 /nfs/dbraw/zinc/11/58/85/177115885.db2.gz ZTYJXSLBHSERQO-TXEJJXNPSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000251620349 177118161 /nfs/dbraw/zinc/11/81/61/177118161.db2.gz CMRQJQJBPUQJQS-IMRBUKKESA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]CC[NH3+])c2ccccc21 ZINC000136960872 177193353 /nfs/dbraw/zinc/19/33/53/177193353.db2.gz YHRCBAHRSHTRLI-GXFFZTMASA-N 2 1 204.317 2.173 20 0 BEADMP CC(C)SCC[N@H+](C)CCC[NH+](C)C ZINC001652407398 1173077981 /nfs/dbraw/zinc/07/79/81/1173077981.db2.gz NYXVUFUFWCURRA-UHFFFAOYSA-N 2 1 218.410 2.012 20 0 BEADMP CC(C)SCC[N@@H+](C)CCC[NH+](C)C ZINC001652407398 1173077989 /nfs/dbraw/zinc/07/79/89/1173077989.db2.gz NYXVUFUFWCURRA-UHFFFAOYSA-N 2 1 218.410 2.012 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000128504969 177239439 /nfs/dbraw/zinc/23/94/39/177239439.db2.gz JXRCHDMRMSOKSP-IKOXMDCHSA-N 2 1 224.392 2.493 20 0 BEADMP C[C@H]1C[N@H+](CCCCOc2ccccc2)C[C@H]1[NH3+] ZINC000340680276 177250123 /nfs/dbraw/zinc/25/01/23/177250123.db2.gz PAAWNJFCOBLONS-DZGCQCFKSA-N 2 1 248.370 2.125 20 0 BEADMP C[C@H]1C[N@@H+](CCCCOc2ccccc2)C[C@H]1[NH3+] ZINC000340680276 177250126 /nfs/dbraw/zinc/25/01/26/177250126.db2.gz PAAWNJFCOBLONS-DZGCQCFKSA-N 2 1 248.370 2.125 20 0 BEADMP C[C@H]1C[C@@H](C[N@@H+](C)CC2CCC2)CC[NH2+]1 ZINC000235697255 177324068 /nfs/dbraw/zinc/32/40/68/177324068.db2.gz XXOBGIURTPNGSY-AAEUAGOBSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1C[C@@H](C[N@H+]2CCC(C)(C)C2)CC[NH2+]1 ZINC000235698649 177324293 /nfs/dbraw/zinc/32/42/93/177324293.db2.gz XFVUNXCSFJMTLP-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CC2CCSCC2)CC[N@H+]1C ZINC000133658516 177330361 /nfs/dbraw/zinc/33/03/61/177330361.db2.gz HSGPWRDXQASNIR-AAEUAGOBSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)CC[N@@H+]1C ZINC000090721555 177331996 /nfs/dbraw/zinc/33/19/96/177331996.db2.gz UXLBAUANSLMZAT-FZMZJTMJSA-N 2 1 236.334 2.398 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)CC[N@H+]1C ZINC000090721555 177331997 /nfs/dbraw/zinc/33/19/97/177331997.db2.gz UXLBAUANSLMZAT-FZMZJTMJSA-N 2 1 236.334 2.398 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccccc2)CC[N@@H+]1C ZINC000129652841 177332617 /nfs/dbraw/zinc/33/26/17/177332617.db2.gz XBJHOCRFFJIVDB-KBPBESRZSA-N 2 1 248.370 2.138 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccccc2)CC[N@H+]1C ZINC000129652841 177332618 /nfs/dbraw/zinc/33/26/18/177332618.db2.gz XBJHOCRFFJIVDB-KBPBESRZSA-N 2 1 248.370 2.138 20 0 BEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCC(C)(C)C ZINC000300958958 177361691 /nfs/dbraw/zinc/36/16/91/177361691.db2.gz YFAGVUXRAUIKNV-NWDGAFQWSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000131482486 177361823 /nfs/dbraw/zinc/36/18/23/177361823.db2.gz LJILVTIAJYBSFR-GXSJLCMTSA-N 2 1 240.297 2.134 20 0 BEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)c(F)c1 ZINC000131482486 177361825 /nfs/dbraw/zinc/36/18/25/177361825.db2.gz LJILVTIAJYBSFR-GXSJLCMTSA-N 2 1 240.297 2.134 20 0 BEADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(F)cc1 ZINC000049709451 177364246 /nfs/dbraw/zinc/36/42/46/177364246.db2.gz RVFKYRHUJKJHFY-GXFFZTMASA-N 2 1 222.307 2.137 20 0 BEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(F)cc1 ZINC000049709451 177364248 /nfs/dbraw/zinc/36/42/48/177364248.db2.gz RVFKYRHUJKJHFY-GXFFZTMASA-N 2 1 222.307 2.137 20 0 BEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCc1ccccc1 ZINC000049708923 177364600 /nfs/dbraw/zinc/36/46/00/177364600.db2.gz NSBXMYHTQVVHAT-GXTWGEPZSA-N 2 1 218.344 2.041 20 0 BEADMP C[C@H]1C[C@H]([NH+](C)CCc2cccnc2)CC[N@@H+]1C ZINC000172844206 177365438 /nfs/dbraw/zinc/36/54/38/177365438.db2.gz RQCUTYOOVKBWLN-DZGCQCFKSA-N 2 1 247.386 2.039 20 0 BEADMP C[C@H]1C[C@H]([NH+](C)CCc2cccnc2)CC[N@H+]1C ZINC000172844206 177365440 /nfs/dbraw/zinc/36/54/40/177365440.db2.gz RQCUTYOOVKBWLN-DZGCQCFKSA-N 2 1 247.386 2.039 20 0 BEADMP C[C@H]1C[C@H]([N@H+](C)CCc2cccnc2)CC[NH+]1C ZINC000172844206 177365441 /nfs/dbraw/zinc/36/54/41/177365441.db2.gz RQCUTYOOVKBWLN-DZGCQCFKSA-N 2 1 247.386 2.039 20 0 BEADMP C[C@H]1C[C@H]([N@@H+](C)CCc2cccnc2)CC[NH+]1C ZINC000172844206 177365443 /nfs/dbraw/zinc/36/54/43/177365443.db2.gz RQCUTYOOVKBWLN-DZGCQCFKSA-N 2 1 247.386 2.039 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)CC[N@H+]1C ZINC000309810325 177368904 /nfs/dbraw/zinc/36/89/04/177368904.db2.gz UALWFRSSUWQBJF-GXSJLCMTSA-N 2 1 232.318 2.104 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CC2(C(F)F)CC2)CC[N@H+]1C ZINC000309810343 177369661 /nfs/dbraw/zinc/36/96/61/177369661.db2.gz UAQJNIJKWHYLAO-VHSXEESVSA-N 2 1 232.318 2.104 20 0 BEADMP C[C@H]1C[C@H]([NH2+]Cc2cccs2)CC[N@@H+]1C ZINC000090721233 177370564 /nfs/dbraw/zinc/37/05/64/177370564.db2.gz YHCXPELEHCKDMM-WDEREUQCSA-N 2 1 224.373 2.320 20 0 BEADMP C[C@H]1C[C@H]([NH2+]Cc2cccs2)CC[N@H+]1C ZINC000090721233 177370566 /nfs/dbraw/zinc/37/05/66/177370566.db2.gz YHCXPELEHCKDMM-WDEREUQCSA-N 2 1 224.373 2.320 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CCc2ccccc2)CC[N@H+]1C ZINC000129596378 177371051 /nfs/dbraw/zinc/37/10/51/177371051.db2.gz PFOBTMUVZQNKRG-DZGCQCFKSA-N 2 1 232.371 2.301 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H]1C ZINC000336702962 177371822 /nfs/dbraw/zinc/37/18/22/177371822.db2.gz QEGHCHDQGXSKQL-MLGHIDQZSA-N 2 1 210.365 2.103 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H]1C ZINC000336702962 177371823 /nfs/dbraw/zinc/37/18/23/177371823.db2.gz QEGHCHDQGXSKQL-MLGHIDQZSA-N 2 1 210.365 2.103 20 0 BEADMP C[C@@H]1Cc2c([nH+]cn2CC2CC[NH2+]CC2)C[C@@H]1C ZINC000335917772 177391374 /nfs/dbraw/zinc/39/13/74/177391374.db2.gz IONMMQSEZIVWSB-NWDGAFQWSA-N 2 1 247.386 2.254 20 0 BEADMP Cc1ccsc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000087310878 487639527 /nfs/dbraw/zinc/63/95/27/487639527.db2.gz CUYFBTRQWPWLET-QWRGUYRKSA-N 2 1 224.373 2.368 20 0 BEADMP COCC(C)(C)C[NH2+]CC1([NH+](C)C)CCCC1 ZINC000494323981 226263888 /nfs/dbraw/zinc/26/38/88/226263888.db2.gz ZILITKHJTUXQIC-UHFFFAOYSA-N 2 1 242.407 2.123 20 0 BEADMP Cc1cccc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000400811999 226351932 /nfs/dbraw/zinc/35/19/32/226351932.db2.gz YSJXEKVUSFIBPO-ZFWWWQNUSA-N 2 1 232.371 2.268 20 0 BEADMP CC1(C)CCC[C@H]1[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000232771655 487652612 /nfs/dbraw/zinc/65/26/12/487652612.db2.gz IIVRMYGTVLTNKV-VXGBXAGGSA-N 2 1 210.365 2.297 20 0 BEADMP C[NH+](C)C1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000675037454 487664202 /nfs/dbraw/zinc/66/42/02/487664202.db2.gz XHEWPRMLHQCLRG-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH2+]C/C=C/Cl)[C@H](C)C1 ZINC000898431937 584135436 /nfs/dbraw/zinc/13/54/36/584135436.db2.gz DHNLCGQRQTUBLP-MRUFAENASA-N 2 1 216.756 2.059 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C/C=C/Cl)[C@H](C)C1 ZINC000898431937 584135437 /nfs/dbraw/zinc/13/54/37/584135437.db2.gz DHNLCGQRQTUBLP-MRUFAENASA-N 2 1 216.756 2.059 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527636760 262868088 /nfs/dbraw/zinc/86/80/88/262868088.db2.gz DPTFUOZMFVDAFT-APYUEPQZSA-N 2 1 248.414 2.495 20 0 BEADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccsc1 ZINC000084384769 487706078 /nfs/dbraw/zinc/70/60/78/487706078.db2.gz MFVNTZRXJHHGFK-NSHDSACASA-N 2 1 224.373 2.180 20 0 BEADMP CC1CC([NH2+][C@@H](C[NH3+])C2CCCCC2)C1 ZINC000414851172 487710314 /nfs/dbraw/zinc/71/03/14/487710314.db2.gz OUIZYPGCDZANAP-GDKBPFBDSA-N 2 1 210.365 2.282 20 0 BEADMP C[C@@H](c1ccncc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226325629 487711256 /nfs/dbraw/zinc/71/12/56/487711256.db2.gz LNVKLPADSXMBRT-STQMWFEESA-N 2 1 233.359 2.203 20 0 BEADMP CC[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)CCO1 ZINC000226340005 487714687 /nfs/dbraw/zinc/71/46/87/487714687.db2.gz JIAGANJGGRZTTH-UONOGXRCSA-N 2 1 242.407 2.264 20 0 BEADMP CC(C)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250607516 487735444 /nfs/dbraw/zinc/73/54/44/487735444.db2.gz XHWZSUKNMZALAZ-CHWSQXEVSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1c2ccsc2CC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000251246443 487752044 /nfs/dbraw/zinc/75/20/44/487752044.db2.gz UOQMBUSWTYWYBS-QWRGUYRKSA-N 2 1 236.384 2.277 20 0 BEADMP C[C@H]1c2ccsc2CC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000251246443 487752046 /nfs/dbraw/zinc/75/20/46/487752046.db2.gz UOQMBUSWTYWYBS-QWRGUYRKSA-N 2 1 236.384 2.277 20 0 BEADMP CCc1cnc(C[NH2+]CC[C@@H]([NH3+])C(C)C)s1 ZINC000234147574 487764213 /nfs/dbraw/zinc/76/42/13/487764213.db2.gz ZAUPNNSTTPSGGR-LLVKDONJSA-N 2 1 241.404 2.169 20 0 BEADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000251593337 487774486 /nfs/dbraw/zinc/77/44/86/487774486.db2.gz YAQVUKXLGVEJBT-OLZOCXBDSA-N 2 1 218.344 2.289 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000459799665 487800227 /nfs/dbraw/zinc/80/02/27/487800227.db2.gz YVRRDOGOSXHFLN-BPLDGKMQSA-N 2 1 236.403 2.497 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000322071211 487803528 /nfs/dbraw/zinc/80/35/28/487803528.db2.gz SKUFCUKCRXYVDX-WUHRBBMRSA-N 2 1 212.381 2.351 20 0 BEADMP CC[C@@H]1C[N@H+](Cc2cnc(C)s2)CC[C@H]1[NH3+] ZINC000251871084 487804765 /nfs/dbraw/zinc/80/47/65/487804765.db2.gz UJWYXJUBMIMGBY-ZYHUDNBSSA-N 2 1 239.388 2.011 20 0 BEADMP CC[C@@H]1C[N@@H+](Cc2cnc(C)s2)CC[C@H]1[NH3+] ZINC000251871084 487804775 /nfs/dbraw/zinc/80/47/75/487804775.db2.gz UJWYXJUBMIMGBY-ZYHUDNBSSA-N 2 1 239.388 2.011 20 0 BEADMP CC[C@@H]1C[N@H+]([C@@H](C)c2ccccn2)CC[C@H]1[NH3+] ZINC000251884538 487805573 /nfs/dbraw/zinc/80/55/73/487805573.db2.gz VMGMNDIWKUHLMT-YNEHKIRRSA-N 2 1 233.359 2.202 20 0 BEADMP CC[C@@H]1C[N@@H+](Cc2cccc(OC)c2)CC[C@H]1[NH3+] ZINC000251922088 487807873 /nfs/dbraw/zinc/80/78/73/487807873.db2.gz YOBRXQPRMUSGAU-UKRRQHHQSA-N 2 1 248.370 2.254 20 0 BEADMP CC[C@@H]1C[N@@H+](Cc2ccccc2OC)CC[C@H]1[NH3+] ZINC000251923471 487807976 /nfs/dbraw/zinc/80/79/76/487807976.db2.gz YQFJSYOITMWXLP-TZMCWYRMSA-N 2 1 248.370 2.254 20 0 BEADMP Cc1ccsc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000227349366 487810365 /nfs/dbraw/zinc/81/03/65/487810365.db2.gz CUYFBTRQWPWLET-MNOVXSKESA-N 2 1 224.373 2.368 20 0 BEADMP Cc1ccc(C[N@@H+]2CCC[C@@H]2CN)cc1C ZINC000039781756 487813379 /nfs/dbraw/zinc/81/33/79/487813379.db2.gz WVIMALIBOGENEI-CQSZACIVSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@H]2CN)cc1C ZINC000039781756 487813383 /nfs/dbraw/zinc/81/33/83/487813383.db2.gz WVIMALIBOGENEI-CQSZACIVSA-N 2 1 218.344 2.227 20 0 BEADMP CC[C@H](C)[N@@H+](CC)CC[C@@H]1CCC[NH2+]C1 ZINC000051918979 487817617 /nfs/dbraw/zinc/81/76/17/487817617.db2.gz OSROTPFDVIGAMR-STQMWFEESA-N 2 1 212.381 2.497 20 0 BEADMP COc1cccc([C@H]2C[C@H](C)C[N@H+]2CCC[NH3+])c1 ZINC000414740206 487820343 /nfs/dbraw/zinc/82/03/43/487820343.db2.gz KTPNDLRVHIOJJB-SWLSCSKDSA-N 2 1 248.370 2.427 20 0 BEADMP Cc1cccc([C@@H]2CC[N@@H+](CCC[NH3+])C2)c1 ZINC000414739952 487820414 /nfs/dbraw/zinc/82/04/14/487820414.db2.gz CMRQNHSLHMBRKK-CQSZACIVSA-N 2 1 218.344 2.133 20 0 BEADMP [NH3+]C[C@H]([NH2+]C/C=C/Cl)C1CCCCC1 ZINC000846220356 588261299 /nfs/dbraw/zinc/26/12/99/588261299.db2.gz GWHCMGDNJJPMGY-ZPMKCOPCSA-N 2 1 216.756 2.236 20 0 BEADMP Cc1ccc(C[NH2+]C[C@@H]([NH3+])CC(F)F)s1 ZINC000309050691 631825871 /nfs/dbraw/zinc/82/58/71/631825871.db2.gz PQVGFUMEBUIBQT-QMMMGPOBSA-N 2 1 234.315 2.129 20 0 BEADMP C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770897 487855235 /nfs/dbraw/zinc/85/52/35/487855235.db2.gz YZCHYGLAATZPPK-AAEUAGOBSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666769914 487875429 /nfs/dbraw/zinc/87/54/29/487875429.db2.gz HFOCQKRTCWRMCN-UWVGGRQHSA-N 2 1 238.297 2.449 20 0 BEADMP CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770545 487877049 /nfs/dbraw/zinc/87/70/49/487877049.db2.gz IKEQDHPSAHMUGU-STQMWFEESA-N 2 1 212.381 2.400 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000251664910 642881939 /nfs/dbraw/zinc/88/19/39/642881939.db2.gz HAPWFINZTKCUBV-OLZOCXBDSA-N 2 1 212.381 2.339 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC1(C)CCC1 ZINC000336713529 487888260 /nfs/dbraw/zinc/88/82/60/487888260.db2.gz VOGLLDVPUGCKLD-LBPRGKRZSA-N 2 1 212.381 2.482 20 0 BEADMP Cc1ccc(F)c(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000666855499 487890933 /nfs/dbraw/zinc/89/09/33/487890933.db2.gz WFWYKJIRWSBKGN-ZDUSSCGKSA-N 2 1 236.334 2.366 20 0 BEADMP C[C@H](CC1CCC1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000666860556 487893104 /nfs/dbraw/zinc/89/31/04/487893104.db2.gz GSKFWNUNVNAMKJ-DMDPSCGWSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@H](CC1CCC1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000666860557 487893181 /nfs/dbraw/zinc/89/31/81/487893181.db2.gz GSKFWNUNVNAMKJ-LOWVWBTDSA-N 2 1 210.365 2.153 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1cccc2cnccc21 ZINC000666910416 487901514 /nfs/dbraw/zinc/90/15/14/487901514.db2.gz FZWZZSGDYUTFLJ-CYBMUJFWSA-N 2 1 229.327 2.062 20 0 BEADMP Cc1ncccc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998433 487926187 /nfs/dbraw/zinc/92/61/87/487926187.db2.gz SZNNITBQMZIMAD-CQSZACIVSA-N 2 1 245.370 2.154 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C3CCC3)C2)CC[NH2+]1 ZINC000667060771 487935772 /nfs/dbraw/zinc/93/57/72/487935772.db2.gz YGSUZTHQOJNHTM-NFAWXSAZSA-N 2 1 236.403 2.497 20 0 BEADMP COCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000125964043 323002398 /nfs/dbraw/zinc/00/23/98/323002398.db2.gz NOLJLDROLZGZEV-KBPBESRZSA-N 2 1 242.407 2.121 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)C(C)(C)C)C1 ZINC000247050644 323012149 /nfs/dbraw/zinc/01/21/49/323012149.db2.gz NHGVLOTUEQJQHI-VXGBXAGGSA-N 2 1 212.381 2.352 20 0 BEADMP [NH3+]CC[N@@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000562328123 323016372 /nfs/dbraw/zinc/01/63/72/323016372.db2.gz LZBRLGFYXHUVEO-HNNXBMFYSA-N 2 1 232.371 2.432 20 0 BEADMP [NH3+]CC[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000562328123 323016373 /nfs/dbraw/zinc/01/63/73/323016373.db2.gz LZBRLGFYXHUVEO-HNNXBMFYSA-N 2 1 232.371 2.432 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)C ZINC000248199090 323016731 /nfs/dbraw/zinc/01/67/31/323016731.db2.gz XZIQPSYCMVVNCT-UTUOFQBUSA-N 2 1 212.381 2.493 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)C ZINC000248199090 323016732 /nfs/dbraw/zinc/01/67/32/323016732.db2.gz XZIQPSYCMVVNCT-UTUOFQBUSA-N 2 1 212.381 2.493 20 0 BEADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCC12CCOCC2 ZINC000562956244 323035053 /nfs/dbraw/zinc/03/50/53/323035053.db2.gz KSDMXYYMJGITPV-STQMWFEESA-N 2 1 240.391 2.053 20 0 BEADMP CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](C)OC ZINC000569897531 323043653 /nfs/dbraw/zinc/04/36/53/323043653.db2.gz PASRFZRZWZUBOW-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](C)OC ZINC000569897531 323043654 /nfs/dbraw/zinc/04/36/54/323043654.db2.gz PASRFZRZWZUBOW-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP C[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](C)C2)C1 ZINC000536541730 323077410 /nfs/dbraw/zinc/07/74/10/323077410.db2.gz QMTQHOFMGVBTGA-OKILXGFUSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](C)C2)C1 ZINC000536541730 323077411 /nfs/dbraw/zinc/07/74/11/323077411.db2.gz QMTQHOFMGVBTGA-OKILXGFUSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](C)C2)C1 ZINC000536541730 323077412 /nfs/dbraw/zinc/07/74/12/323077412.db2.gz QMTQHOFMGVBTGA-OKILXGFUSA-N 2 1 224.392 2.450 20 0 BEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C(C)C)[C@H](C)C1 ZINC000151985464 323082857 /nfs/dbraw/zinc/08/28/57/323082857.db2.gz LNZCAAJHTOVZHE-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000222314678 323086500 /nfs/dbraw/zinc/08/65/00/323086500.db2.gz XXCWCGMKENUIFH-KGLIPLIRSA-N 2 1 222.376 2.274 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000571037877 323104382 /nfs/dbraw/zinc/10/43/82/323104382.db2.gz KTGCXCMSAXKKCJ-RISCZKNCSA-N 2 1 248.370 2.400 20 0 BEADMP CC[NH2+]CCCNc1[nH+]ccc2c(C)cccc21 ZINC000571404301 323143685 /nfs/dbraw/zinc/14/36/85/323143685.db2.gz WREANTCFFZAVRJ-UHFFFAOYSA-N 2 1 243.354 2.377 20 0 BEADMP CC[NH2+]CCC[NH2+][C@H](C)c1cncc(C)c1 ZINC000571514171 323146413 /nfs/dbraw/zinc/14/64/13/323146413.db2.gz RWKRMDDAVQQGHC-GFCCVEGCSA-N 2 1 221.348 2.040 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000414942546 323152174 /nfs/dbraw/zinc/15/21/74/323152174.db2.gz ZQPCSQGWLSROGD-DAXOMENPSA-N 2 1 244.382 2.132 20 0 BEADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1C ZINC000216060160 323195246 /nfs/dbraw/zinc/19/52/46/323195246.db2.gz HVAODTRYECNVOX-JSGCOSHPSA-N 2 1 248.370 2.173 20 0 BEADMP Cc1ncccc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397264299 323245081 /nfs/dbraw/zinc/24/50/81/323245081.db2.gz IOWKMBYEMAIDHS-ZOWXZIJZSA-N 2 1 247.386 2.195 20 0 BEADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@@H]1C[C@H]1C ZINC000321658948 323386823 /nfs/dbraw/zinc/38/68/23/323386823.db2.gz WLHQNWREKIFLDQ-FRRDWIJNSA-N 2 1 224.392 2.495 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCS2)[C@H](C)C1 ZINC000122918412 324062946 /nfs/dbraw/zinc/06/29/46/324062946.db2.gz BLRTYROITLZHRK-AGIUHOORSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](CC2CCCC2)C[C@@H]1C[NH3+] ZINC000397331360 324212138 /nfs/dbraw/zinc/21/21/38/324212138.db2.gz RBIVBSCRVIAOEI-DYEKYZERSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529542296 324332481 /nfs/dbraw/zinc/33/24/81/324332481.db2.gz IZTROQRQOWABBF-NHCYSSNCSA-N 2 1 246.345 2.493 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529542296 324332485 /nfs/dbraw/zinc/33/24/85/324332485.db2.gz IZTROQRQOWABBF-NHCYSSNCSA-N 2 1 246.345 2.493 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CC(F)(F)C1 ZINC000529542295 324332767 /nfs/dbraw/zinc/33/27/67/324332767.db2.gz IZTROQRQOWABBF-JFGNBEQYSA-N 2 1 246.345 2.493 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CC(F)(F)C1 ZINC000529542295 324332771 /nfs/dbraw/zinc/33/27/71/324332771.db2.gz IZTROQRQOWABBF-JFGNBEQYSA-N 2 1 246.345 2.493 20 0 BEADMP C[C@@H](CCc1ccco1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178661 324509627 /nfs/dbraw/zinc/50/96/27/324509627.db2.gz PNNCRCNOMWMRSK-JSGCOSHPSA-N 2 1 248.370 2.475 20 0 BEADMP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130197320 325023064 /nfs/dbraw/zinc/02/30/64/325023064.db2.gz NCHMNIFHVAOTIW-MRVWCRGKSA-N 2 1 222.376 2.391 20 0 BEADMP COCc1cccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000131440512 325152004 /nfs/dbraw/zinc/15/20/04/325152004.db2.gz VVEDYSANBGIZTE-WFASDCNBSA-N 2 1 248.370 2.145 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC(C)(C)C ZINC000566967810 326097443 /nfs/dbraw/zinc/09/74/43/326097443.db2.gz JWTVAPNIGDAXJB-NEPJUHHUSA-N 2 1 212.381 2.400 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000567034177 326104415 /nfs/dbraw/zinc/10/44/15/326104415.db2.gz URDZZDBQTPTXDK-RDBSUJKOSA-N 2 1 242.407 2.264 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000567034177 326104417 /nfs/dbraw/zinc/10/44/17/326104417.db2.gz URDZZDBQTPTXDK-RDBSUJKOSA-N 2 1 242.407 2.264 20 0 BEADMP CCCC[N@@H+](CCC[NH+]1CCCC1)CCOC ZINC000153657522 326105580 /nfs/dbraw/zinc/10/55/80/326105580.db2.gz GTZZLPOGHWYVBU-UHFFFAOYSA-N 2 1 242.407 2.221 20 0 BEADMP CCC[NH2+]CC[NH2+][C@H](C)Cc1ccsc1 ZINC000567141967 326123553 /nfs/dbraw/zinc/12/35/53/326123553.db2.gz QNQYZSDORLWEAU-LLVKDONJSA-N 2 1 226.389 2.268 20 0 BEADMP C[C@H]1CCC[C@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000309741984 326167058 /nfs/dbraw/zinc/16/70/58/326167058.db2.gz DMMKPZRCNOPSKV-RYUDHWBXSA-N 2 1 221.348 2.131 20 0 BEADMP Cn1c[nH+]cc1CCC[N@H+](C)CCC(F)(F)F ZINC000567624433 326231730 /nfs/dbraw/zinc/23/17/30/326231730.db2.gz OXCGCDWVEFAUST-UHFFFAOYSA-N 2 1 249.280 2.237 20 0 BEADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCC(F)(F)F ZINC000567624433 326231732 /nfs/dbraw/zinc/23/17/32/326231732.db2.gz OXCGCDWVEFAUST-UHFFFAOYSA-N 2 1 249.280 2.237 20 0 BEADMP COC[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000157955556 326301666 /nfs/dbraw/zinc/30/16/66/326301666.db2.gz NFMOQWFDYOLNLN-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@H]1CC1(C)C ZINC000568288425 326341651 /nfs/dbraw/zinc/34/16/51/326341651.db2.gz MTCFUFCYVBAYIV-LBPRGKRZSA-N 2 1 221.348 2.083 20 0 BEADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@H]1CC1(C)C ZINC000568288425 326341653 /nfs/dbraw/zinc/34/16/53/326341653.db2.gz MTCFUFCYVBAYIV-LBPRGKRZSA-N 2 1 221.348 2.083 20 0 BEADMP COCc1cccc(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000568531648 326364097 /nfs/dbraw/zinc/36/40/97/326364097.db2.gz JZGCQTDGGWFJRX-UHFFFAOYSA-N 2 1 248.370 2.018 20 0 BEADMP COc1cccc(C[C@H]2CCC[N@@H+]2C[C@H](C)[NH3+])c1 ZINC000568749350 326374721 /nfs/dbraw/zinc/37/47/21/326374721.db2.gz VYVNQVNVZFXTRO-GXTWGEPZSA-N 2 1 248.370 2.049 20 0 BEADMP COc1cccc(C[C@H]2CCC[N@H+]2C[C@H](C)[NH3+])c1 ZINC000568749350 326374723 /nfs/dbraw/zinc/37/47/23/326374723.db2.gz VYVNQVNVZFXTRO-GXTWGEPZSA-N 2 1 248.370 2.049 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c(C)n1 ZINC000568996945 326385682 /nfs/dbraw/zinc/38/56/82/326385682.db2.gz NZBBDBVNQKFUNZ-FZMZJTMJSA-N 2 1 233.359 2.010 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c(C)n1 ZINC000568996945 326385683 /nfs/dbraw/zinc/38/56/83/326385683.db2.gz NZBBDBVNQKFUNZ-FZMZJTMJSA-N 2 1 233.359 2.010 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC2=CCCC2)CC[N@H+]1C ZINC000401173881 488017784 /nfs/dbraw/zinc/01/77/84/488017784.db2.gz UWKIDIDXDNCMFL-DGCLKSJQSA-N 2 1 208.349 2.169 20 0 BEADMP C[C@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667553812 488044022 /nfs/dbraw/zinc/04/40/22/488044022.db2.gz AIOXIJTVJLBOCT-LBPRGKRZSA-N 2 1 242.326 2.109 20 0 BEADMP C[C@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667553812 488044030 /nfs/dbraw/zinc/04/40/30/488044030.db2.gz AIOXIJTVJLBOCT-LBPRGKRZSA-N 2 1 242.326 2.109 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+]C[C@H](C)Cc1ccccc1 ZINC000663509940 488055080 /nfs/dbraw/zinc/05/50/80/488055080.db2.gz BLDUXQKDLYJBNO-CHWSQXEVSA-N 2 1 220.360 2.063 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000663510185 488055620 /nfs/dbraw/zinc/05/56/20/488055620.db2.gz CQIYDFMYWMCUDB-MNOVXSKESA-N 2 1 240.778 2.469 20 0 BEADMP Cc1nc(N[C@H]2CCC[C@@H]([NH3+])C2)c(C)c(C)[nH+]1 ZINC000257665761 488078447 /nfs/dbraw/zinc/07/84/47/488078447.db2.gz YCSAZDLYUOCGDM-NEPJUHHUSA-N 2 1 234.347 2.084 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000378960179 488113846 /nfs/dbraw/zinc/11/38/46/488113846.db2.gz POGJRQPEEFMITM-KBXIAJHMSA-N 2 1 236.403 2.495 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](CC)C[C@@H]1CCOC1 ZINC000683140698 488117503 /nfs/dbraw/zinc/11/75/03/488117503.db2.gz BQUCLAXTIKJGIF-AWEZNQCLSA-N 2 1 242.407 2.077 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667774193 488117515 /nfs/dbraw/zinc/11/75/15/488117515.db2.gz BDNJXNJFCWFHCZ-MQYQWHSLSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccnc1 ZINC000129735093 488119576 /nfs/dbraw/zinc/11/95/76/488119576.db2.gz YSVVBMFRVOOXIN-MBNYWOFBSA-N 2 1 233.359 2.215 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccnc1 ZINC000129735093 488119580 /nfs/dbraw/zinc/11/95/80/488119580.db2.gz YSVVBMFRVOOXIN-MBNYWOFBSA-N 2 1 233.359 2.215 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC[C@H]1[NH3+] ZINC000403448164 488124690 /nfs/dbraw/zinc/12/46/90/488124690.db2.gz XMBYBCVMRXEWDR-XGFWRYKXSA-N 2 1 222.376 2.092 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667820179 488128799 /nfs/dbraw/zinc/12/87/99/488128799.db2.gz RJOHMYOFTQJNCL-APIJFGDWSA-N 2 1 236.403 2.497 20 0 BEADMP C[N@H+](Cc1ccc2c(c1)CCC2)CC(C)(C)[NH3+] ZINC000258725124 488131228 /nfs/dbraw/zinc/13/12/28/488131228.db2.gz DTELSYHMXZAELZ-UHFFFAOYSA-N 2 1 232.371 2.344 20 0 BEADMP C[N@@H+](Cc1ccc2c(c1)CCC2)CC(C)(C)[NH3+] ZINC000258725124 488131233 /nfs/dbraw/zinc/13/12/33/488131233.db2.gz DTELSYHMXZAELZ-UHFFFAOYSA-N 2 1 232.371 2.344 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403721642 488133718 /nfs/dbraw/zinc/13/37/18/488133718.db2.gz IDEXMOFOEYCDLJ-BARDWOONSA-N 2 1 236.403 2.354 20 0 BEADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000086726791 487538364 /nfs/dbraw/zinc/53/83/64/487538364.db2.gz DGOOAVCVCZHRHL-GWCFXTLKSA-N 2 1 238.762 2.223 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+](C)CC(C)(C)N ZINC000662293642 487542532 /nfs/dbraw/zinc/54/25/32/487542532.db2.gz HAQWHTLQZGDOKU-SECBINFHSA-N 2 1 222.323 2.337 20 0 BEADMP CC[C@H](CC(F)F)CN(C)CC(C)(C)[NH3+] ZINC000662293642 487542537 /nfs/dbraw/zinc/54/25/37/487542537.db2.gz HAQWHTLQZGDOKU-SECBINFHSA-N 2 1 222.323 2.337 20 0 BEADMP CC(C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294307 487542613 /nfs/dbraw/zinc/54/26/13/487542613.db2.gz LFWKSGBQCJRQJC-ZDUSSCGKSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(O)cc1 ZINC000685470094 487533268 /nfs/dbraw/zinc/53/32/68/487533268.db2.gz UPZOGQPCBSUKNY-DOMZBBRYSA-N 2 1 248.370 2.164 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(O)cc1 ZINC000685470094 487533274 /nfs/dbraw/zinc/53/32/74/487533274.db2.gz UPZOGQPCBSUKNY-DOMZBBRYSA-N 2 1 248.370 2.164 20 0 BEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(O)cc1 ZINC000685470094 487533279 /nfs/dbraw/zinc/53/32/79/487533279.db2.gz UPZOGQPCBSUKNY-DOMZBBRYSA-N 2 1 248.370 2.164 20 0 BEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(O)cc1 ZINC000685470094 487533285 /nfs/dbraw/zinc/53/32/85/487533285.db2.gz UPZOGQPCBSUKNY-DOMZBBRYSA-N 2 1 248.370 2.164 20 0 BEADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)CCC(C)(C)C ZINC000258883565 488141813 /nfs/dbraw/zinc/14/18/13/488141813.db2.gz BXVXLYGEXDEASA-LBPRGKRZSA-N 2 1 212.381 2.354 20 0 BEADMP CC(C)(CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)C1CC1 ZINC000406018896 487495207 /nfs/dbraw/zinc/49/52/07/487495207.db2.gz CPVFNGYRKKFBDH-OAHLLOKOSA-N 2 1 236.403 2.498 20 0 BEADMP CC(C)(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)C1CC1 ZINC000406061566 487499086 /nfs/dbraw/zinc/49/90/86/487499086.db2.gz MTUCMTCYLGWUTJ-JSGCOSHPSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)C1CC1 ZINC000406061566 487499094 /nfs/dbraw/zinc/49/90/94/487499094.db2.gz MTUCMTCYLGWUTJ-JSGCOSHPSA-N 2 1 236.403 2.497 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304651541 487513674 /nfs/dbraw/zinc/51/36/74/487513674.db2.gz YLQRBOCSRYDTKP-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304651541 487513676 /nfs/dbraw/zinc/51/36/76/487513676.db2.gz YLQRBOCSRYDTKP-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304506322 487508721 /nfs/dbraw/zinc/50/87/21/487508721.db2.gz CZMQAOFYGGDZAA-RQJABVFESA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304506322 487508724 /nfs/dbraw/zinc/50/87/24/487508724.db2.gz CZMQAOFYGGDZAA-RQJABVFESA-N 2 1 224.392 2.495 20 0 BEADMP Cc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])c(C)c1 ZINC000258921100 488142880 /nfs/dbraw/zinc/14/28/80/488142880.db2.gz UQMQNWBYWZSNPZ-UHFFFAOYSA-N 2 1 220.360 2.473 20 0 BEADMP Cc1ccc(C[N@H+](C)CC(C)(C)[NH3+])c(C)c1 ZINC000258921100 488142888 /nfs/dbraw/zinc/14/28/88/488142888.db2.gz UQMQNWBYWZSNPZ-UHFFFAOYSA-N 2 1 220.360 2.473 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000322071221 488168283 /nfs/dbraw/zinc/16/82/83/488168283.db2.gz SKUFCUKCRXYVDX-YVECIDJPSA-N 2 1 212.381 2.351 20 0 BEADMP CCc1ccc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)cc1 ZINC000258795540 488136274 /nfs/dbraw/zinc/13/62/74/488136274.db2.gz CLKWJFXCOBBGDO-HNNXBMFYSA-N 2 1 232.371 2.290 20 0 BEADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403788613 488138400 /nfs/dbraw/zinc/13/84/00/488138400.db2.gz ZWLKYKNHMYQPSF-YJNKXOJESA-N 2 1 236.403 2.483 20 0 BEADMP CC[C@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OC ZINC000322529328 488189454 /nfs/dbraw/zinc/18/94/54/488189454.db2.gz PCGXLKQPLHRQSK-WTUNAVPPSA-N 2 1 240.391 2.016 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](C(F)F)C1 ZINC000678083526 488194334 /nfs/dbraw/zinc/19/43/34/488194334.db2.gz KHYQTPMZQLJZIG-WDEREUQCSA-N 2 1 232.318 2.058 20 0 BEADMP C[C@@H](CCCCO)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000679328818 488339930 /nfs/dbraw/zinc/33/99/30/488339930.db2.gz BBPPUNSMRBHXJU-ZDUSSCGKSA-N 2 1 242.407 2.002 20 0 BEADMP CSc1ccccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000679670640 488363343 /nfs/dbraw/zinc/36/33/43/488363343.db2.gz FFUZVLJEUWHCJW-CHWSQXEVSA-N 2 1 248.395 2.060 20 0 BEADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)C1CC1 ZINC000121862695 490111840 /nfs/dbraw/zinc/11/18/40/490111840.db2.gz AYNYFHNCHHIAKD-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP c1ccc(CCCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000122194009 490128534 /nfs/dbraw/zinc/12/85/34/490128534.db2.gz BUFPEFBIOZRFKX-IYBDPMFKSA-N 2 1 244.382 2.161 20 0 BEADMP CC1(C)CC[C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)C1 ZINC000129586289 490153169 /nfs/dbraw/zinc/15/31/69/490153169.db2.gz XMPDXDDOKXFROX-VXGBXAGGSA-N 2 1 210.365 2.297 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1C ZINC000252688238 490198291 /nfs/dbraw/zinc/19/82/91/490198291.db2.gz NPWDWYQKWPHRBG-TZMCWYRMSA-N 2 1 248.370 2.315 20 0 BEADMP CC(C)[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000070584392 490222382 /nfs/dbraw/zinc/22/23/82/490222382.db2.gz VKHOPQVAXFNAQO-LBPRGKRZSA-N 2 1 210.365 2.391 20 0 BEADMP CC(C)[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000070584392 490222389 /nfs/dbraw/zinc/22/23/89/490222389.db2.gz VKHOPQVAXFNAQO-LBPRGKRZSA-N 2 1 210.365 2.391 20 0 BEADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000070584391 490222800 /nfs/dbraw/zinc/22/28/00/490222800.db2.gz VKHOPQVAXFNAQO-GFCCVEGCSA-N 2 1 210.365 2.391 20 0 BEADMP CC(C)[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000070584391 490222803 /nfs/dbraw/zinc/22/28/03/490222803.db2.gz VKHOPQVAXFNAQO-GFCCVEGCSA-N 2 1 210.365 2.391 20 0 BEADMP C[C@@H]1SCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000220553745 490226760 /nfs/dbraw/zinc/22/67/60/490226760.db2.gz BFIPACPCNZCUEE-GXFFZTMASA-N 2 1 240.416 2.097 20 0 BEADMP CC[C@@H]1C[C@H]([NH2+][C@H](C)C[NH+](CC)CC)CCO1 ZINC000251766550 490262367 /nfs/dbraw/zinc/26/23/67/490262367.db2.gz VREOMMASCXLJPV-MGPQQGTHSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH+](CC)CC)CCO1 ZINC000251766547 490262415 /nfs/dbraw/zinc/26/24/15/490262415.db2.gz VREOMMASCXLJPV-HZSPNIEDSA-N 2 1 242.407 2.264 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CC2(F)F)CC1 ZINC000666226744 490284164 /nfs/dbraw/zinc/28/41/64/490284164.db2.gz DWNXSRVMTSJRAE-ONGXEEELSA-N 2 1 232.318 2.104 20 0 BEADMP Cc1cncc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277345072 490293278 /nfs/dbraw/zinc/29/32/78/490293278.db2.gz WJCGPCZDCDDJPG-HNNXBMFYSA-N 2 1 247.386 2.306 20 0 BEADMP Cc1cncc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277345072 490293287 /nfs/dbraw/zinc/29/32/87/490293287.db2.gz WJCGPCZDCDDJPG-HNNXBMFYSA-N 2 1 247.386 2.306 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)C1CC1 ZINC000083055794 490318469 /nfs/dbraw/zinc/31/84/69/490318469.db2.gz KUBAUVWQDBVZGI-GXTWGEPZSA-N 2 1 224.392 2.495 20 0 BEADMP C(CC1CC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000128059572 490570889 /nfs/dbraw/zinc/57/08/89/490570889.db2.gz JWXWUZWMLFWAES-OLZOCXBDSA-N 2 1 208.349 2.003 20 0 BEADMP CC[C@H]([NH2+][C@H](C)C[NH+](CC)CC)[C@H]1CCOC1 ZINC000301644855 490582073 /nfs/dbraw/zinc/58/20/73/490582073.db2.gz VYVVTRCLSFPDIJ-RDBSUJKOSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C1 ZINC000235311375 491067485 /nfs/dbraw/zinc/06/74/85/491067485.db2.gz LHIIPHUNEOEBBJ-UPJWGTAASA-N 2 1 210.365 2.297 20 0 BEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC000662271445 491085296 /nfs/dbraw/zinc/08/52/96/491085296.db2.gz GWDOYZVKHRCQBS-NSHDSACASA-N 2 1 249.358 2.113 20 0 BEADMP CCCC[C@@H](CC)CC[N@H+](C)CC[NH3+] ZINC000415110526 491092649 /nfs/dbraw/zinc/09/26/49/491092649.db2.gz PJPAWSOYJFIPHY-GFCCVEGCSA-N 2 1 200.370 2.483 20 0 BEADMP CCCC[C@@H](CC)CC[N@@H+](C)CC[NH3+] ZINC000415110526 491092650 /nfs/dbraw/zinc/09/26/50/491092650.db2.gz PJPAWSOYJFIPHY-GFCCVEGCSA-N 2 1 200.370 2.483 20 0 BEADMP Cc1ncccc1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404292488 491093605 /nfs/dbraw/zinc/09/36/05/491093605.db2.gz LVJHNICPMZWTLE-IUODEOHRSA-N 2 1 247.386 2.339 20 0 BEADMP Fc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000072146594 491122446 /nfs/dbraw/zinc/12/24/46/491122446.db2.gz AMMRPWGEDJXEPN-HNNXBMFYSA-N 2 1 248.345 2.401 20 0 BEADMP Fc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000072146594 491122448 /nfs/dbraw/zinc/12/24/48/491122448.db2.gz AMMRPWGEDJXEPN-HNNXBMFYSA-N 2 1 248.345 2.401 20 0 BEADMP CCC[NH+](CCC)CCC[NH2+]C1CSC1 ZINC000309069652 491143957 /nfs/dbraw/zinc/14/39/57/491143957.db2.gz AXVYKFZKJJBIBB-UHFFFAOYSA-N 2 1 230.421 2.204 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+][C@H](C)C[NH+](CC)CC ZINC000309168664 491146093 /nfs/dbraw/zinc/14/60/93/491146093.db2.gz KFTNVWDBCXQEQF-JHJVBQTASA-N 2 1 212.381 2.495 20 0 BEADMP CC[N@H+](CC[NH2+][C@@H]1CC[C@H]1C1CC1)C(C)C ZINC000309501673 491150464 /nfs/dbraw/zinc/15/04/64/491150464.db2.gz ZYNAXBMKRQPXJJ-UONOGXRCSA-N 2 1 224.392 2.495 20 0 BEADMP CC[N@@H+](CC[NH2+][C@@H]1CC[C@H]1C1CC1)C(C)C ZINC000309501673 491150465 /nfs/dbraw/zinc/15/04/65/491150465.db2.gz ZYNAXBMKRQPXJJ-UONOGXRCSA-N 2 1 224.392 2.495 20 0 BEADMP CSC[C@@H]1CCC[N@H+]1C[C@H]([NH3+])CC(C)C ZINC000400010302 533749346 /nfs/dbraw/zinc/74/93/46/533749346.db2.gz VLFZEFHMCMCZIZ-NEPJUHHUSA-N 2 1 230.421 2.187 20 0 BEADMP CCC[C@H](C)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224295684 535610230 /nfs/dbraw/zinc/61/02/30/535610230.db2.gz QWLXGMQOWMZGIR-STQMWFEESA-N 2 1 212.381 2.483 20 0 BEADMP CCC[C@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000252686227 535611900 /nfs/dbraw/zinc/61/19/00/535611900.db2.gz JJSVFSLEJLEHRJ-XQQFMLRXSA-N 2 1 210.365 2.249 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000252686227 535611909 /nfs/dbraw/zinc/61/19/09/535611909.db2.gz JJSVFSLEJLEHRJ-XQQFMLRXSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC12CC2 ZINC000424377583 534179452 /nfs/dbraw/zinc/17/94/52/534179452.db2.gz RLLVCUIVFCRECG-IACUBPJLSA-N 2 1 230.355 2.087 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000348072809 536390151 /nfs/dbraw/zinc/39/01/51/536390151.db2.gz KVDDBXDTMMDJRG-KGLIPLIRSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](C2CC2)C1 ZINC000348072809 536390152 /nfs/dbraw/zinc/39/01/52/536390152.db2.gz KVDDBXDTMMDJRG-KGLIPLIRSA-N 2 1 222.376 2.203 20 0 BEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2C[C@@H]2C)C1 ZINC000488321747 527837082 /nfs/dbraw/zinc/83/70/82/527837082.db2.gz NRIMXTQTWXXTBZ-MELADBBJSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]2C)C1 ZINC000488321747 527837085 /nfs/dbraw/zinc/83/70/85/527837085.db2.gz NRIMXTQTWXXTBZ-MELADBBJSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2C)C1 ZINC000488321747 527837091 /nfs/dbraw/zinc/83/70/91/527837091.db2.gz NRIMXTQTWXXTBZ-MELADBBJSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2C[C@H]2C)CC1 ZINC000488314548 528195687 /nfs/dbraw/zinc/19/56/87/528195687.db2.gz OJEKVDUNRGUADH-CHWSQXEVSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)C[C@H](C)C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000300845989 528460478 /nfs/dbraw/zinc/46/04/78/528460478.db2.gz DTBDYMXZVPSUNA-MELADBBJSA-N 2 1 224.392 2.352 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000300845989 528460483 /nfs/dbraw/zinc/46/04/83/528460483.db2.gz DTBDYMXZVPSUNA-MELADBBJSA-N 2 1 224.392 2.352 20 0 BEADMP CC(C)[N@@H+](CCC1CC[NH2+]CC1)C1CC1 ZINC000261547132 535053024 /nfs/dbraw/zinc/05/30/24/535053024.db2.gz LWVDNUUHFMDXGI-UHFFFAOYSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)([NH3+])C[N@H+]1CCC2(C1)CCCCC2 ZINC000261531136 535197511 /nfs/dbraw/zinc/19/75/11/535197511.db2.gz FIAAVJWHLDWOPF-UHFFFAOYSA-N 2 1 210.365 2.380 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000342410972 535236092 /nfs/dbraw/zinc/23/60/92/535236092.db2.gz FWRYPYRLNLMWOL-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000342410972 535236088 /nfs/dbraw/zinc/23/60/88/535236088.db2.gz FWRYPYRLNLMWOL-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP CC[NH+]1CCC([N@H+](CC2CC2)C2CC2)CC1 ZINC000367006466 535459889 /nfs/dbraw/zinc/45/98/89/535459889.db2.gz CVCQHHGBEUKVOZ-UHFFFAOYSA-N 2 1 222.376 2.345 20 0 BEADMP CC[NH+]1CCC([N@@H+](CC2CC2)C2CC2)CC1 ZINC000367006466 535459893 /nfs/dbraw/zinc/45/98/93/535459893.db2.gz CVCQHHGBEUKVOZ-UHFFFAOYSA-N 2 1 222.376 2.345 20 0 BEADMP CC[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000261536480 535820483 /nfs/dbraw/zinc/82/04/83/535820483.db2.gz RWNYEXCVPFQXRV-RWMBFGLXSA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@]1(C)CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261557552 535910985 /nfs/dbraw/zinc/91/09/85/535910985.db2.gz XKGPJDLZNUOWIV-OLZOCXBDSA-N 2 1 210.365 2.108 20 0 BEADMP CCc1ccccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261565584 535935983 /nfs/dbraw/zinc/93/59/83/535935983.db2.gz HSZXYQZIMWVNBK-XHSDSOJGSA-N 2 1 244.382 2.418 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261576448 535936912 /nfs/dbraw/zinc/93/69/12/535936912.db2.gz NQMWSZNUDYXOOT-HZPDHXFCSA-N 2 1 244.382 2.433 20 0 BEADMP CC[C@@]1(C)CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261918605 536038437 /nfs/dbraw/zinc/03/84/37/536038437.db2.gz ZZFDMFIRTSZNFN-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP C[NH+](C)C1(C[NH2+]C[C@@H]2CCSC2)CCCC1 ZINC000224457078 536113356 /nfs/dbraw/zinc/11/33/56/536113356.db2.gz HMZBLBGLEVSNDE-LBPRGKRZSA-N 2 1 242.432 2.204 20 0 BEADMP CCc1nc(NCC2([NH3+])CCCCC2)cc(C)[nH+]1 ZINC000261584058 536126944 /nfs/dbraw/zinc/12/69/44/536126944.db2.gz SBAHLUSUGQMXSZ-UHFFFAOYSA-N 2 1 248.374 2.421 20 0 BEADMP C[N@@H+](CCC1CC[NH2+]CC1)CC1CCCC1 ZINC000082492468 536323366 /nfs/dbraw/zinc/32/33/66/536323366.db2.gz ZATNFWAXMSGGGO-UHFFFAOYSA-N 2 1 224.392 2.498 20 0 BEADMP C[N@@H+](CCCCF)C[C@@H]1CCC[NH+](C)C1 ZINC000352045000 536334699 /nfs/dbraw/zinc/33/46/99/536334699.db2.gz IEOZGMNWINXVPT-LBPRGKRZSA-N 2 1 216.344 2.010 20 0 BEADMP C[NH+](CCCCF)C[C@@H]1CCC[N@H+](C)C1 ZINC000352045000 536334700 /nfs/dbraw/zinc/33/47/00/536334700.db2.gz IEOZGMNWINXVPT-LBPRGKRZSA-N 2 1 216.344 2.010 20 0 BEADMP C[NH+](CCCCF)C[C@@H]1CCC[N@@H+](C)C1 ZINC000352045000 536334703 /nfs/dbraw/zinc/33/47/03/536334703.db2.gz IEOZGMNWINXVPT-LBPRGKRZSA-N 2 1 216.344 2.010 20 0 BEADMP C[N@@H+](CCCCF)C[C@H]1CCC[NH+](C)C1 ZINC000352044538 536334986 /nfs/dbraw/zinc/33/49/86/536334986.db2.gz IEOZGMNWINXVPT-GFCCVEGCSA-N 2 1 216.344 2.010 20 0 BEADMP C[NH+](CCCCF)C[C@H]1CCC[N@H+](C)C1 ZINC000352044538 536334988 /nfs/dbraw/zinc/33/49/88/536334988.db2.gz IEOZGMNWINXVPT-GFCCVEGCSA-N 2 1 216.344 2.010 20 0 BEADMP C[NH+](CCCCF)C[C@H]1CCC[N@@H+](C)C1 ZINC000352044538 536334990 /nfs/dbraw/zinc/33/49/90/536334990.db2.gz IEOZGMNWINXVPT-GFCCVEGCSA-N 2 1 216.344 2.010 20 0 BEADMP C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCC[C@H]2C)C1 ZINC000252219045 536375304 /nfs/dbraw/zinc/37/53/04/536375304.db2.gz YNWOKELNNHMNAQ-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCC[C@H]2C)C1 ZINC000252219045 536375305 /nfs/dbraw/zinc/37/53/05/536375305.db2.gz YNWOKELNNHMNAQ-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP C[N@H+](CC[NH2+]C[C@H]1CCSC1)C1CCCC1 ZINC000224422654 536386817 /nfs/dbraw/zinc/38/68/17/536386817.db2.gz MIUYDMNFYBCBTG-GFCCVEGCSA-N 2 1 242.432 2.204 20 0 BEADMP C[N@@H+](CC[NH2+]C[C@H]1CCSC1)C1CCCC1 ZINC000224422654 536386820 /nfs/dbraw/zinc/38/68/20/536386820.db2.gz MIUYDMNFYBCBTG-GFCCVEGCSA-N 2 1 242.432 2.204 20 0 BEADMP C[N@H+](CC[NH2+]C[C@@H]1CCSC1)C1CCCC1 ZINC000224422601 536387304 /nfs/dbraw/zinc/38/73/04/536387304.db2.gz MIUYDMNFYBCBTG-LBPRGKRZSA-N 2 1 242.432 2.204 20 0 BEADMP C[N@@H+](CC[NH2+]C[C@@H]1CCSC1)C1CCCC1 ZINC000224422601 536387308 /nfs/dbraw/zinc/38/73/08/536387308.db2.gz MIUYDMNFYBCBTG-LBPRGKRZSA-N 2 1 242.432 2.204 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](C2CC2)C1 ZINC000348072809 536390148 /nfs/dbraw/zinc/39/01/48/536390148.db2.gz KVDDBXDTMMDJRG-KGLIPLIRSA-N 2 1 222.376 2.203 20 0 BEADMP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1F ZINC000261553276 536901661 /nfs/dbraw/zinc/90/16/61/536901661.db2.gz NRXBYGLTVVNQIW-UTLUCORTSA-N 2 1 240.322 2.221 20 0 BEADMP CCCSC[C@@H](C)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000892628412 582933361 /nfs/dbraw/zinc/93/33/61/582933361.db2.gz LDBCTWJZFXNMKX-DGCLKSJQSA-N 2 1 244.448 2.448 20 0 BEADMP Cc1cc([NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)ccc1N ZINC000853248299 588729008 /nfs/dbraw/zinc/72/90/08/588729008.db2.gz RENBQPGIWKJPIX-VXGBXAGGSA-N 2 1 233.359 2.377 20 0 BEADMP Cc1cc([NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)ccc1N ZINC000853248297 588729197 /nfs/dbraw/zinc/72/91/97/588729197.db2.gz RENBQPGIWKJPIX-NWDGAFQWSA-N 2 1 233.359 2.377 20 0 BEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1C=CCC1 ZINC000854221599 588780137 /nfs/dbraw/zinc/78/01/37/588780137.db2.gz PUHKGNZNWPCKQF-AEGPPILISA-N 2 1 230.355 2.253 20 0 BEADMP CC[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000892222250 582809042 /nfs/dbraw/zinc/80/90/42/582809042.db2.gz QRNCGXABLWJVKY-LBPRGKRZSA-N 2 1 210.365 2.060 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CC2(C)CCC2)C1 ZINC000381538169 582900592 /nfs/dbraw/zinc/90/05/92/582900592.db2.gz HKIZLYPZVWEFGA-CYBMUJFWSA-N 2 1 224.392 2.497 20 0 BEADMP CCCSC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000892612544 582929310 /nfs/dbraw/zinc/92/93/10/582929310.db2.gz ARTMWRMCVYPGGB-QWHCGFSZSA-N 2 1 244.448 2.450 20 0 BEADMP CCCSC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000892946694 583015630 /nfs/dbraw/zinc/01/56/30/583015630.db2.gz KTVTYQGNBKVFRE-OLZOCXBDSA-N 2 1 244.448 2.450 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000234010888 583176192 /nfs/dbraw/zinc/17/61/92/583176192.db2.gz ZSPBFDKDIQHYRY-BFHYXJOUSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000234010888 583176195 /nfs/dbraw/zinc/17/61/95/583176195.db2.gz ZSPBFDKDIQHYRY-BFHYXJOUSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@H]1CCCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000893678568 583197836 /nfs/dbraw/zinc/19/78/36/583197836.db2.gz LEXIECRQXCPKCK-ZDUSSCGKSA-N 2 1 224.392 2.450 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(C)co2)C1 ZINC000894087232 583298456 /nfs/dbraw/zinc/29/84/56/583298456.db2.gz VYUSKVWHMLLLEX-ZDUSSCGKSA-N 2 1 236.359 2.362 20 0 BEADMP C[C@H](C[NH2+]Cc1c[nH]cn1)c1cccc(F)c1 ZINC000894211209 583376490 /nfs/dbraw/zinc/37/64/90/583376490.db2.gz ORXQGYSWPREIHI-SNVBAGLBSA-N 2 1 233.290 2.442 20 0 BEADMP COC1(C[NH2+]Cc2c[nH]cn2)CCC(C)CC1 ZINC000894614084 583494490 /nfs/dbraw/zinc/49/44/90/583494490.db2.gz MANKRDWCLRLTDC-UHFFFAOYSA-N 2 1 237.347 2.095 20 0 BEADMP C[NH+]1CCC(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)CC1 ZINC000894735101 583514343 /nfs/dbraw/zinc/51/43/43/583514343.db2.gz GJHKNPOCVHWLLA-HOTGVXAUSA-N 2 1 248.414 2.449 20 0 BEADMP Cc1ncoc1C[N@@H+](C)CCCn1ccnc1C ZINC000894776269 583516576 /nfs/dbraw/zinc/51/65/76/583516576.db2.gz FOUHLOHOGMDWFL-UHFFFAOYSA-N 2 1 248.330 2.010 20 0 BEADMP Cc1ncoc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000894776269 583516579 /nfs/dbraw/zinc/51/65/79/583516579.db2.gz FOUHLOHOGMDWFL-UHFFFAOYSA-N 2 1 248.330 2.010 20 0 BEADMP Cc1cc(N2CCC(C)([NH+](C)C)CC2)nc(C)[nH+]1 ZINC000894851155 583531648 /nfs/dbraw/zinc/53/16/48/583531648.db2.gz LSCPJVIQBKOFHE-UHFFFAOYSA-N 2 1 248.374 2.014 20 0 BEADMP C[C@@H]1CC(C)(C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000894924952 583556684 /nfs/dbraw/zinc/55/66/84/583556684.db2.gz FDZVCKRUMDRZFJ-GFCCVEGCSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000895009685 583567337 /nfs/dbraw/zinc/56/73/37/583567337.db2.gz HBRQOIGDVHWSCL-CHWSQXEVSA-N 2 1 224.392 2.449 20 0 BEADMP Cc1cc(C)cc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)c1 ZINC000647990349 583582214 /nfs/dbraw/zinc/58/22/14/583582214.db2.gz OLKWGUDBRSKZMC-CQSZACIVSA-N 2 1 232.371 2.345 20 0 BEADMP CCc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)nc(CC)n1 ZINC000895734397 583716915 /nfs/dbraw/zinc/71/69/15/583716915.db2.gz LSONOUXOLLJVJJ-ZYHUDNBSSA-N 2 1 248.374 2.106 20 0 BEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000883429739 583808621 /nfs/dbraw/zinc/80/86/21/583808621.db2.gz CPOCJVUHIWFPHC-VXGBXAGGSA-N 2 1 240.391 2.051 20 0 BEADMP CCO[C@H](C[NH2+]CC1(C)CCCC1)C[NH+](C)C ZINC000896878456 583844671 /nfs/dbraw/zinc/84/46/71/583844671.db2.gz QEXNGOWEHMPBCJ-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP Cl/C=C\CN1CCC[C@@H](n2ccnc2)C1 ZINC000729932028 584030214 /nfs/dbraw/zinc/03/02/14/584030214.db2.gz SXKNIFONDUNLMI-CJHWANRJSA-N 2 1 225.723 2.273 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cncc2ccccc21 ZINC000841031672 584031005 /nfs/dbraw/zinc/03/10/05/584031005.db2.gz VEEPIWHZTGMRKZ-HNNXBMFYSA-N 2 1 243.354 2.308 20 0 BEADMP C1[C@H]2CCC[C@@H]2[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000897955451 584065081 /nfs/dbraw/zinc/06/50/81/584065081.db2.gz UVAGLQKMQOTMSJ-ZSAUSMIDSA-N 2 1 234.387 2.391 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H]3CCC[C@H]32)CC1 ZINC000897955961 584065608 /nfs/dbraw/zinc/06/56/08/584065608.db2.gz ZMHCURJZDTUNLK-MRVWCRGKSA-N 2 1 222.376 2.249 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H]3CCC[C@H]23)CC1 ZINC000897955958 584065960 /nfs/dbraw/zinc/06/59/60/584065960.db2.gz ZMHCURJZDTUNLK-FPMFFAJLSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)CC[N@@H+]1C ZINC000897959705 584067681 /nfs/dbraw/zinc/06/76/81/584067681.db2.gz WLRJIFWLOJFNOM-XVIXHAIJSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)CC[N@H+]1C ZINC000897959705 584067682 /nfs/dbraw/zinc/06/76/82/584067682.db2.gz WLRJIFWLOJFNOM-XVIXHAIJSA-N 2 1 222.376 2.247 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)Cc2cccnc2)CC1 ZINC000897969448 584069622 /nfs/dbraw/zinc/06/96/22/584069622.db2.gz JTOJAUMCRVQNSH-ZDUSSCGKSA-N 2 1 247.386 2.087 20 0 BEADMP C[NH+]1CCC([NH2+]CC[C@H]2CCC(F)(F)C2)CC1 ZINC000898018003 584075499 /nfs/dbraw/zinc/07/54/99/584075499.db2.gz WRAFHDQDTOSSTH-LLVKDONJSA-N 2 1 246.345 2.496 20 0 BEADMP C(CC1CC1)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000866666085 584121596 /nfs/dbraw/zinc/12/15/96/584121596.db2.gz NFJZEHRPFQNKHD-HUUCEWRRSA-N 2 1 236.403 2.498 20 0 BEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000858490870 588960027 /nfs/dbraw/zinc/96/00/27/588960027.db2.gz RILDURTXFMOXBB-BPLDGKMQSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)CC[C@@H]([NH2+]CC1([NH3+])CC1)C1CC1 ZINC000902406065 584573924 /nfs/dbraw/zinc/57/39/24/584573924.db2.gz KRAFGOIMXOLKHY-GFCCVEGCSA-N 2 1 210.365 2.282 20 0 BEADMP [NH3+]C1(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000902406573 584573962 /nfs/dbraw/zinc/57/39/62/584573962.db2.gz OFTXRQSUJDCVFJ-UONOGXRCSA-N 2 1 230.355 2.404 20 0 BEADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902406087 584574230 /nfs/dbraw/zinc/57/42/30/584574230.db2.gz LCXWMZIINSZOGM-SNVBAGLBSA-N 2 1 222.307 2.276 20 0 BEADMP [NH3+]C1(C[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000902407744 584574950 /nfs/dbraw/zinc/57/49/50/584574950.db2.gz SQCZVFVECHHBGL-CYBMUJFWSA-N 2 1 231.343 2.014 20 0 BEADMP COc1cc(C)c([C@@H](C)[NH2+]CC2([NH3+])CC2)cc1C ZINC000902404813 584588855 /nfs/dbraw/zinc/58/88/55/584588855.db2.gz FGQDSFGGOPKWTD-GFCCVEGCSA-N 2 1 248.370 2.454 20 0 BEADMP Cc1ccccc1C[C@@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902415308 584589395 /nfs/dbraw/zinc/58/93/95/584589395.db2.gz DEMKFIJHRUXLJL-GFCCVEGCSA-N 2 1 218.344 2.007 20 0 BEADMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(Cl)cc1 ZINC000902415772 584589576 /nfs/dbraw/zinc/58/95/76/584589576.db2.gz QONAERZAOQFFFU-SECBINFHSA-N 2 1 224.735 2.482 20 0 BEADMP C[C@@H]([NH2+]CC1([NH3+])CC1)[C@H](C)c1ccccc1 ZINC000902415358 584589965 /nfs/dbraw/zinc/58/99/65/584589965.db2.gz FINBUPUOOCQYJM-NWDGAFQWSA-N 2 1 218.344 2.260 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]CC2([NH3+])CC2)cc1C ZINC000902416648 584590205 /nfs/dbraw/zinc/59/02/05/584590205.db2.gz VLHAWGKZDIZHJR-GFCCVEGCSA-N 2 1 218.344 2.445 20 0 BEADMP Cc1cccc(CC[C@@H](C)[NH2+]CC2([NH3+])CC2)c1 ZINC000902415797 584590209 /nfs/dbraw/zinc/59/02/09/584590209.db2.gz JWKITVSEZZDFOR-CYBMUJFWSA-N 2 1 232.371 2.397 20 0 BEADMP C[C@H](CCC1CCCC1)[NH2+]CC1([NH3+])CC1 ZINC000902416992 584591326 /nfs/dbraw/zinc/59/13/26/584591326.db2.gz QRXWRCXHULYKDT-LLVKDONJSA-N 2 1 210.365 2.426 20 0 BEADMP Cc1ccc2c(c1)[C@H]([NH2+]CC1([NH3+])CC1)CC2 ZINC000902416964 584591381 /nfs/dbraw/zinc/59/13/81/584591381.db2.gz QITFIDCZOVYWHH-CYBMUJFWSA-N 2 1 216.328 2.063 20 0 BEADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]CC1([NH3+])CC1 ZINC000902418043 584591755 /nfs/dbraw/zinc/59/17/55/584591755.db2.gz UOFCBQRNKUSKQF-CYBMUJFWSA-N 2 1 216.328 2.063 20 0 BEADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000902414311 584600347 /nfs/dbraw/zinc/60/03/47/584600347.db2.gz WKSXJBMDRCYXGE-CYBMUJFWSA-N 2 1 234.318 2.284 20 0 BEADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902415157 584600928 /nfs/dbraw/zinc/60/09/28/584600928.db2.gz BWLIOPHSTGEENV-VXGBXAGGSA-N 2 1 248.370 2.268 20 0 BEADMP C[C@@H](Cc1cccs1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902472866 584601153 /nfs/dbraw/zinc/60/11/53/584601153.db2.gz JXZMLMMMWLJCDX-JULQROHOSA-N 2 1 236.384 2.162 20 0 BEADMP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)C2 ZINC000902473464 584602099 /nfs/dbraw/zinc/60/20/99/584602099.db2.gz ZJYRYKHDEQEGSR-XUWVNRHRSA-N 2 1 242.366 2.026 20 0 BEADMP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902448762 584605602 /nfs/dbraw/zinc/60/56/02/584605602.db2.gz IWIDSZTUARJVOM-GHMZBOCLSA-N 2 1 244.448 2.494 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000902452125 584607273 /nfs/dbraw/zinc/60/72/73/584607273.db2.gz IWACFQXAUYSHIK-JHJVBQTASA-N 2 1 222.376 2.297 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)[C@@H]1CCC[NH2+]1 ZINC000902461270 584611313 /nfs/dbraw/zinc/61/13/13/584611313.db2.gz NLYXXBHELCNDNC-AVGNSLFASA-N 2 1 240.391 2.064 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCCC(C)(C)O1)[C@@H]1CCC[NH2+]1 ZINC000902461275 584611403 /nfs/dbraw/zinc/61/14/03/584611403.db2.gz NLYXXBHELCNDNC-XQQFMLRXSA-N 2 1 240.391 2.064 20 0 BEADMP Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902465243 584613042 /nfs/dbraw/zinc/61/30/42/584613042.db2.gz DDDNIQGDZHASSN-SLBVQIDZSA-N 2 1 244.382 2.409 20 0 BEADMP C[C@@H](CCc1ccccc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902468365 584615707 /nfs/dbraw/zinc/61/57/07/584615707.db2.gz SKFVLCCXPYXZMK-ARLBYUKCSA-N 2 1 244.382 2.490 20 0 BEADMP Cc1ncccc1CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000902513655 584623258 /nfs/dbraw/zinc/62/32/58/584623258.db2.gz NMCKHJBKNVCCCN-UKRRQHHQSA-N 2 1 247.386 2.053 20 0 BEADMP COC[C@@H](CC(C)C)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902481816 584623924 /nfs/dbraw/zinc/62/39/24/584623924.db2.gz HHSTVEZBOGITNZ-ZIAGYGMSSA-N 2 1 242.407 2.169 20 0 BEADMP COC[C@H](CC(C)C)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902481812 584624313 /nfs/dbraw/zinc/62/43/13/584624313.db2.gz HHSTVEZBOGITNZ-KBPBESRZSA-N 2 1 242.407 2.169 20 0 BEADMP C([NH2+][C@@H]1CCCSC1)[C@@H]1CCCCC[NH2+]1 ZINC000902485282 584624795 /nfs/dbraw/zinc/62/47/95/584624795.db2.gz ZEHYHNRAOHIGHT-NWDGAFQWSA-N 2 1 228.405 2.004 20 0 BEADMP C[NH+]1CCC([NH2+]C2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000902727862 584662055 /nfs/dbraw/zinc/66/20/55/584662055.db2.gz FDVNUHKPSWZPAG-VXGBXAGGSA-N 2 1 222.376 2.249 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]C2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000902896932 584691406 /nfs/dbraw/zinc/69/14/06/584691406.db2.gz NKSBWLJYQAYUOR-ZIAGYGMSSA-N 2 1 234.387 2.417 20 0 BEADMP C[N@H+]1CCCC[C@@H]1CCN1CCC[C@H](F)C1 ZINC000903002141 584716547 /nfs/dbraw/zinc/71/65/47/584716547.db2.gz WUOVXZFABKJGLJ-QWHCGFSZSA-N 2 1 228.355 2.295 20 0 BEADMP CO[C@H]1CCC[C@@H]1[NH2+]CCC[N@@H+](C)CC(C)C ZINC000903195061 584734259 /nfs/dbraw/zinc/73/42/59/584734259.db2.gz URXUWRZKWLZSLO-KBPBESRZSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)C1CC1 ZINC000903382310 584757536 /nfs/dbraw/zinc/75/75/36/584757536.db2.gz DOQDQFYNBOBJEY-WFASDCNBSA-N 2 1 247.386 2.463 20 0 BEADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)C1CC1 ZINC000903382307 584757545 /nfs/dbraw/zinc/75/75/45/584757545.db2.gz DOQDQFYNBOBJEY-DOMZBBRYSA-N 2 1 247.386 2.463 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000903435084 584762297 /nfs/dbraw/zinc/76/22/97/584762297.db2.gz NFUVHSAHIXMKSG-FRRDWIJNSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000903439075 584762765 /nfs/dbraw/zinc/76/27/65/584762765.db2.gz CLSZDBGCMWJJHR-ZLDLUXBVSA-N 2 1 248.345 2.428 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000903439075 584762766 /nfs/dbraw/zinc/76/27/66/584762766.db2.gz CLSZDBGCMWJJHR-ZLDLUXBVSA-N 2 1 248.345 2.428 20 0 BEADMP COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903459155 584766120 /nfs/dbraw/zinc/76/61/20/584766120.db2.gz QXCHMXXXENYEPZ-UPJWGTAASA-N 2 1 248.370 2.201 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903447137 584770888 /nfs/dbraw/zinc/77/08/88/584770888.db2.gz GOFGYSHYKISOQK-FZMZJTMJSA-N 2 1 243.354 2.337 20 0 BEADMP CC(F)(F)CCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000903464634 584772675 /nfs/dbraw/zinc/77/26/75/584772675.db2.gz UODLSJYIXPPXGS-PWSUYJOCSA-N 2 1 232.318 2.235 20 0 BEADMP CC(F)(F)CCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000903464634 584772676 /nfs/dbraw/zinc/77/26/76/584772676.db2.gz UODLSJYIXPPXGS-PWSUYJOCSA-N 2 1 232.318 2.235 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCc3cccc(F)c3C2)C1 ZINC000903455109 584773474 /nfs/dbraw/zinc/77/34/74/584773474.db2.gz QDIXNDTVYVGYTH-WCQYABFASA-N 2 1 248.345 2.311 20 0 BEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCCC(C)(F)F ZINC000903455320 584773953 /nfs/dbraw/zinc/77/39/53/584773953.db2.gz UGPVUNLCBXPZGK-VIFPVBQESA-N 2 1 222.323 2.385 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2c2ccncc2)C1 ZINC000903455496 584774362 /nfs/dbraw/zinc/77/43/62/584774362.db2.gz WUOLUNJDKIIWDN-NWANDNLSSA-N 2 1 245.370 2.346 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1[C@@H](C)CCC1(C)C ZINC000903482323 584778822 /nfs/dbraw/zinc/77/88/22/584778822.db2.gz BRZYQWFYOQJJOA-WOPDTQHZSA-N 2 1 210.365 2.105 20 0 BEADMP C[N@@H+](C[C@@H]1CCCC[NH2+]C1)C(C1CC1)C1CC1 ZINC000903727313 584793040 /nfs/dbraw/zinc/79/30/40/584793040.db2.gz SGESEHOSKJGGQH-GFCCVEGCSA-N 2 1 236.403 2.497 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccccc2CF)C1 ZINC000903713159 584793567 /nfs/dbraw/zinc/79/35/67/584793567.db2.gz GKEMGSBPXDRWGG-LBPRGKRZSA-N 2 1 236.334 2.327 20 0 BEADMP CC1CC(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000903748142 584794568 /nfs/dbraw/zinc/79/45/68/584794568.db2.gz ZDLUDATXRAXPEM-FPCDFSMTSA-N 2 1 244.382 2.459 20 0 BEADMP CC1CC(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000903748142 584794570 /nfs/dbraw/zinc/79/45/70/584794570.db2.gz ZDLUDATXRAXPEM-FPCDFSMTSA-N 2 1 244.382 2.459 20 0 BEADMP CC1CC(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000903748142 584794571 /nfs/dbraw/zinc/79/45/71/584794571.db2.gz ZDLUDATXRAXPEM-FPCDFSMTSA-N 2 1 244.382 2.459 20 0 BEADMP CC1CC(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000903748142 584794572 /nfs/dbraw/zinc/79/45/72/584794572.db2.gz ZDLUDATXRAXPEM-FPCDFSMTSA-N 2 1 244.382 2.459 20 0 BEADMP FCc1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000903749635 584794897 /nfs/dbraw/zinc/79/48/97/584794897.db2.gz NMVJQHITXBWISE-GJZGRUSLSA-N 2 1 248.345 2.340 20 0 BEADMP FCc1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000903749635 584794898 /nfs/dbraw/zinc/79/48/98/584794898.db2.gz NMVJQHITXBWISE-GJZGRUSLSA-N 2 1 248.345 2.340 20 0 BEADMP FCc1ccccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000903749637 584795111 /nfs/dbraw/zinc/79/51/11/584795111.db2.gz NMVJQHITXBWISE-LSDHHAIUSA-N 2 1 248.345 2.340 20 0 BEADMP FCc1ccccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000903749637 584795112 /nfs/dbraw/zinc/79/51/12/584795112.db2.gz NMVJQHITXBWISE-LSDHHAIUSA-N 2 1 248.345 2.340 20 0 BEADMP C[N@@H+](Cc1ccccc1CF)C1CC([NH3+])C1 ZINC000903750367 584795537 /nfs/dbraw/zinc/79/55/37/584795537.db2.gz YYGJSRKQZVKSKD-UHFFFAOYSA-N 2 1 222.307 2.078 20 0 BEADMP CC1CC(C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)C1 ZINC000903751151 584795701 /nfs/dbraw/zinc/79/57/01/584795701.db2.gz BNCBRBCJXMGNDC-XNYRDIBGSA-N 2 1 210.365 2.009 20 0 BEADMP CC1CC(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)C1 ZINC000903751149 584795768 /nfs/dbraw/zinc/79/57/68/584795768.db2.gz BNCBRBCJXMGNDC-MICYEWLZSA-N 2 1 210.365 2.009 20 0 BEADMP CC1CC(C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)C1 ZINC000903751150 584795770 /nfs/dbraw/zinc/79/57/70/584795770.db2.gz BNCBRBCJXMGNDC-OLHXFANGSA-N 2 1 210.365 2.009 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2CF)C1 ZINC000903744719 584796538 /nfs/dbraw/zinc/79/65/38/584796538.db2.gz XMXQSWWXBFPOSJ-YPMHNXCESA-N 2 1 236.334 2.325 20 0 BEADMP COCCC[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903810717 584803600 /nfs/dbraw/zinc/80/36/00/584803600.db2.gz FZYZJIJLIFPBGC-ZDUSSCGKSA-N 2 1 240.391 2.006 20 0 BEADMP C[C@]12C[N@@H+](CC[C@@H]3CC[NH2+]C3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903826308 584805044 /nfs/dbraw/zinc/80/50/44/584805044.db2.gz HVFGFBVZIWBZOZ-ARKGTOAJSA-N 2 1 246.398 2.130 20 0 BEADMP C[C@]12C[N@@H+](C[C@@H]3CCC[NH2+]C3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903826532 584805083 /nfs/dbraw/zinc/80/50/83/584805083.db2.gz LICRVMQQHILQMK-DGADGQDISA-N 2 1 246.398 2.130 20 0 BEADMP CC1(C)CC(C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])C1 ZINC000903857373 584809926 /nfs/dbraw/zinc/80/99/26/584809926.db2.gz DMNWKQIMDIMXPZ-JSGCOSHPSA-N 2 1 222.376 2.236 20 0 BEADMP CC1(C)CC(C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])C1 ZINC000903857373 584809928 /nfs/dbraw/zinc/80/99/28/584809928.db2.gz DMNWKQIMDIMXPZ-JSGCOSHPSA-N 2 1 222.376 2.236 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903857363 584810073 /nfs/dbraw/zinc/81/00/73/584810073.db2.gz DKWPIWQFQJAFRP-NQBHXWOUSA-N 2 1 246.345 2.481 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903857363 584810075 /nfs/dbraw/zinc/81/00/75/584810075.db2.gz DKWPIWQFQJAFRP-NQBHXWOUSA-N 2 1 246.345 2.481 20 0 BEADMP Cc1ccccc1C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903859088 584811105 /nfs/dbraw/zinc/81/11/05/584811105.db2.gz ZUKDXSMFRUADLG-CABCVRRESA-N 2 1 230.355 2.308 20 0 BEADMP Cc1ccccc1C[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903859088 584811106 /nfs/dbraw/zinc/81/11/06/584811106.db2.gz ZUKDXSMFRUADLG-CABCVRRESA-N 2 1 230.355 2.308 20 0 BEADMP CCC(CC)C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903860637 584812569 /nfs/dbraw/zinc/81/25/69/584812569.db2.gz SMHIZBBCJQWRMR-STQMWFEESA-N 2 1 210.365 2.236 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903860637 584812570 /nfs/dbraw/zinc/81/25/70/584812570.db2.gz SMHIZBBCJQWRMR-STQMWFEESA-N 2 1 210.365 2.236 20 0 BEADMP CC1(C)CC(C[N@H+]2CCC[C@@]23CC[NH2+]C3)C1 ZINC000903869321 584814540 /nfs/dbraw/zinc/81/45/40/584814540.db2.gz GXACRTFFIAOPTG-AWEZNQCLSA-N 2 1 222.376 2.251 20 0 BEADMP FC1(F)CC[C@H](C[N@@H+]2CCC[C@@]23CC[NH2+]C3)C1 ZINC000903872230 584815563 /nfs/dbraw/zinc/81/55/63/584815563.db2.gz XIIFHAMOOVGJLK-RYUDHWBXSA-N 2 1 244.329 2.250 20 0 BEADMP FC1(F)CC[C@H](C[N@H+]2CCC[C@@]23CC[NH2+]C3)C1 ZINC000903872230 584815565 /nfs/dbraw/zinc/81/55/65/584815565.db2.gz XIIFHAMOOVGJLK-RYUDHWBXSA-N 2 1 244.329 2.250 20 0 BEADMP C[C@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)CC12CCC2 ZINC000903913467 584822582 /nfs/dbraw/zinc/82/25/82/584822582.db2.gz CNUYCZTYIIHYBS-WDEREUQCSA-N 2 1 246.345 2.481 20 0 BEADMP C[C@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)CC12CCC2 ZINC000903913467 584822583 /nfs/dbraw/zinc/82/25/83/584822583.db2.gz CNUYCZTYIIHYBS-WDEREUQCSA-N 2 1 246.345 2.481 20 0 BEADMP Cc1ccccc1C[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903919502 584823044 /nfs/dbraw/zinc/82/30/44/584823044.db2.gz DATFCWISQPKCLV-NSHDSACASA-N 2 1 228.286 2.067 20 0 BEADMP Cc1ccccc1CC[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903921563 584823074 /nfs/dbraw/zinc/82/30/74/584823074.db2.gz PEWISPBNCRPYOX-GFCCVEGCSA-N 2 1 242.313 2.110 20 0 BEADMP CCc1ccccc1C[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903923119 584823525 /nfs/dbraw/zinc/82/35/25/584823525.db2.gz LTWXHZFFSJUZFM-GFCCVEGCSA-N 2 1 242.313 2.321 20 0 BEADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000903929155 584824557 /nfs/dbraw/zinc/82/45/57/584824557.db2.gz AZYCGOWJADZVPY-WDEREUQCSA-N 2 1 232.318 2.091 20 0 BEADMP CC(C)(/C=C\Cl)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903987637 584835807 /nfs/dbraw/zinc/83/58/07/584835807.db2.gz ICQLYINYBVOBJF-KFOINNEUSA-N 2 1 226.698 2.090 20 0 BEADMP COc1ccc([C@@H](C)[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904307098 584861686 /nfs/dbraw/zinc/86/16/86/584861686.db2.gz KXOABSFFAVZRFT-BZPMIXESSA-N 2 1 248.370 2.425 20 0 BEADMP C[N@H+](Cc1cccc(O)c1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904301933 584862249 /nfs/dbraw/zinc/86/22/49/584862249.db2.gz PBYNQJHCOFLKAR-HNNXBMFYSA-N 2 1 248.370 2.214 20 0 BEADMP C[N@@H+](Cc1cccc(O)c1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904301933 584862250 /nfs/dbraw/zinc/86/22/50/584862250.db2.gz PBYNQJHCOFLKAR-HNNXBMFYSA-N 2 1 248.370 2.214 20 0 BEADMP C[N@@H+](CCc1ccccc1F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904311788 584862921 /nfs/dbraw/zinc/86/29/21/584862921.db2.gz CEYXUQVTIGPLKI-BJHJDKERSA-N 2 1 236.334 2.037 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCS[C@H]3CCCC[C@@H]32)C1 ZINC000904324221 584864897 /nfs/dbraw/zinc/86/48/97/584864897.db2.gz FRHGMWYGPUUNJQ-RNJOBUHISA-N 2 1 240.416 2.084 20 0 BEADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325961 584865320 /nfs/dbraw/zinc/86/53/20/584865320.db2.gz AAKKGWVSOXTOGV-YVECIDJPSA-N 2 1 242.432 2.330 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2ccc(O)cc2)C1 ZINC000904335364 584866621 /nfs/dbraw/zinc/86/66/21/584866621.db2.gz CUWGBKYOZNGKNO-LNSITVRQSA-N 2 1 246.354 2.266 20 0 BEADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)CC1(c2ccccc2)CC1 ZINC000904342562 584867128 /nfs/dbraw/zinc/86/71/28/584867128.db2.gz KQNACPDUOXXIHG-OTVXOJSOSA-N 2 1 244.382 2.387 20 0 BEADMP Cc1cc(F)cc2c1C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)CC2 ZINC000904344922 584867845 /nfs/dbraw/zinc/86/78/45/584867845.db2.gz BGULCBZEVHXYNF-VDISTLRHSA-N 2 1 248.345 2.230 20 0 BEADMP C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1(C)C ZINC000904345686 584868195 /nfs/dbraw/zinc/86/81/95/584868195.db2.gz IRJOHEPDCNASGL-SDDRHHMPSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@H]1COc2ccccc2C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345337 584868270 /nfs/dbraw/zinc/86/82/70/584868270.db2.gz CWHBYBDSPNVDHB-SGMGOOAPSA-N 2 1 246.354 2.007 20 0 BEADMP CCC1(CC)C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCS1 ZINC000904347490 584868625 /nfs/dbraw/zinc/86/86/25/584868625.db2.gz HGSAAVUQMVACJG-TXEJJXNPSA-N 2 1 242.432 2.331 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1(C)C ZINC000904345687 584868664 /nfs/dbraw/zinc/86/86/64/584868664.db2.gz IRJOHEPDCNASGL-UTUOFQBUSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccsc2)CC[C@@H]1C[NH3+] ZINC000904410877 584879102 /nfs/dbraw/zinc/87/91/02/584879102.db2.gz HBLFFCDXSVGHKK-ZYHUDNBSSA-N 2 1 224.373 2.165 20 0 BEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc[nH]1 ZINC000838984290 585084237 /nfs/dbraw/zinc/08/42/37/585084237.db2.gz NUUQVBYNGOBTMP-NSHDSACASA-N 2 1 233.359 2.292 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000839181973 585096798 /nfs/dbraw/zinc/09/67/98/585096798.db2.gz KVZGWZUMVYZUQT-KGLIPLIRSA-N 2 1 238.375 2.001 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H]2CCC=CO2)C1 ZINC000839181976 585096858 /nfs/dbraw/zinc/09/68/58/585096858.db2.gz KVZGWZUMVYZUQT-ZIAGYGMSSA-N 2 1 238.375 2.001 20 0 BEADMP CCCC[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000769663942 585561505 /nfs/dbraw/zinc/56/15/05/585561505.db2.gz ZWRBHEANVHYNMM-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP CCCC[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000769663942 585561506 /nfs/dbraw/zinc/56/15/06/585561506.db2.gz ZWRBHEANVHYNMM-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP CCCC[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000769663942 585561507 /nfs/dbraw/zinc/56/15/07/585561507.db2.gz ZWRBHEANVHYNMM-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccoc3)CC[C@H]21 ZINC000770349253 585573037 /nfs/dbraw/zinc/57/30/37/585573037.db2.gz CLODXPASSMILPV-UONOGXRCSA-N 2 1 234.343 2.196 20 0 BEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccoc3)CC[C@H]21 ZINC000770349253 585573038 /nfs/dbraw/zinc/57/30/38/585573038.db2.gz CLODXPASSMILPV-UONOGXRCSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccoc3)CC[C@H]21 ZINC000770349253 585573039 /nfs/dbraw/zinc/57/30/39/585573039.db2.gz CLODXPASSMILPV-UONOGXRCSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccoc3)CC[C@H]21 ZINC000770349253 585573040 /nfs/dbraw/zinc/57/30/40/585573040.db2.gz CLODXPASSMILPV-UONOGXRCSA-N 2 1 234.343 2.196 20 0 BEADMP C[C@H](CCO)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000779341417 585751773 /nfs/dbraw/zinc/75/17/73/585751773.db2.gz MLIORNHSTDKUFO-KGLIPLIRSA-N 2 1 242.407 2.002 20 0 BEADMP C[C@@H](C1CC1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000782184865 585810698 /nfs/dbraw/zinc/81/06/98/585810698.db2.gz GPJOHAPBEWCBOF-GXTWGEPZSA-N 2 1 236.403 2.449 20 0 BEADMP C[C@@H](C1CC1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000782184865 585810699 /nfs/dbraw/zinc/81/06/99/585810699.db2.gz GPJOHAPBEWCBOF-GXTWGEPZSA-N 2 1 236.403 2.449 20 0 BEADMP C[C@@H]([N@@H+](C)CC1CC[NH+](C)CC1)C1(C)CC1 ZINC000782184100 585810777 /nfs/dbraw/zinc/81/07/77/585810777.db2.gz QVSQWNBIKBLKCX-GFCCVEGCSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@H]1SCC[N@@H+](CC2CC[NH+](C)CC2)[C@H]1C ZINC000788480476 585925183 /nfs/dbraw/zinc/92/51/83/585925183.db2.gz KCPRQYVYALVYRU-NWDGAFQWSA-N 2 1 242.432 2.154 20 0 BEADMP CCC[N@@H+](CC1CC1)CC1CC[NH+](C)CC1 ZINC000788471395 585925334 /nfs/dbraw/zinc/92/53/34/585925334.db2.gz RUHXNXUOJGYKJC-UHFFFAOYSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@H]1SCC[N@@H+](CC2CC[NH+](C)CC2)[C@@H]1C ZINC000788480478 585925453 /nfs/dbraw/zinc/92/54/53/585925453.db2.gz KCPRQYVYALVYRU-VXGBXAGGSA-N 2 1 242.432 2.154 20 0 BEADMP C[C@@H]1SCC[N@@H+](CC2CC[NH+](C)CC2)[C@H]1C ZINC000788480477 585925465 /nfs/dbraw/zinc/92/54/65/585925465.db2.gz KCPRQYVYALVYRU-RYUDHWBXSA-N 2 1 242.432 2.154 20 0 BEADMP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H](OC)C1)C(C)C ZINC000792950035 586007608 /nfs/dbraw/zinc/00/76/08/586007608.db2.gz GJPFXTUFHAHHTM-ZIAGYGMSSA-N 2 1 242.407 2.264 20 0 BEADMP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H](OC)C1)C(C)C ZINC000792950035 586007609 /nfs/dbraw/zinc/00/76/09/586007609.db2.gz GJPFXTUFHAHHTM-ZIAGYGMSSA-N 2 1 242.407 2.264 20 0 BEADMP Clc1ccccc1CC[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000843126351 586412798 /nfs/dbraw/zinc/41/27/98/586412798.db2.gz OOVVWLNTCXYYNK-LBPRGKRZSA-N 2 1 238.762 2.224 20 0 BEADMP Cc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C)o1 ZINC000814178435 586615860 /nfs/dbraw/zinc/61/58/60/586615860.db2.gz PSDGLFAHDQSWKB-OAHLLOKOSA-N 2 1 248.370 2.424 20 0 BEADMP Cc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(C)o1 ZINC000814178435 586615861 /nfs/dbraw/zinc/61/58/61/586615861.db2.gz PSDGLFAHDQSWKB-OAHLLOKOSA-N 2 1 248.370 2.424 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(C)o1 ZINC000814178435 586615862 /nfs/dbraw/zinc/61/58/62/586615862.db2.gz PSDGLFAHDQSWKB-OAHLLOKOSA-N 2 1 248.370 2.424 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(C)o1 ZINC000814178435 586615863 /nfs/dbraw/zinc/61/58/63/586615863.db2.gz PSDGLFAHDQSWKB-OAHLLOKOSA-N 2 1 248.370 2.424 20 0 BEADMP CC[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000815145979 586670413 /nfs/dbraw/zinc/67/04/13/586670413.db2.gz JQYNLQZIKSDWAC-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000815145977 586670462 /nfs/dbraw/zinc/67/04/62/586670462.db2.gz JQYNLQZIKSDWAC-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP CC(C)Oc1cccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000817890482 586832278 /nfs/dbraw/zinc/83/22/78/586832278.db2.gz YOCDBMYACGGPKW-HUUCEWRRSA-N 2 1 248.370 2.443 20 0 BEADMP CCC(CC)(C[NH2+][C@H]1C[NH2+]CC[C@@H]1C)SC ZINC000817900546 586835861 /nfs/dbraw/zinc/83/58/61/586835861.db2.gz PTIJLJWLEVHQFO-RYUDHWBXSA-N 2 1 244.448 2.496 20 0 BEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000817943964 586846083 /nfs/dbraw/zinc/84/60/83/586846083.db2.gz TXOVYSNOECMIPC-JTQLQIEISA-N 2 1 241.766 2.385 20 0 BEADMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cccnc1Cl ZINC000817953704 586849175 /nfs/dbraw/zinc/84/91/75/586849175.db2.gz TYMYBQHKUFPCKZ-DTWKUNHWSA-N 2 1 227.739 2.123 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000817957692 586850805 /nfs/dbraw/zinc/85/08/05/586850805.db2.gz DQSDVSNENXZTRS-RISCZKNCSA-N 2 1 248.370 2.255 20 0 BEADMP CCOc1cccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000817961196 586852559 /nfs/dbraw/zinc/85/25/59/586852559.db2.gz VIUXKGPQVDZBSV-ABAIWWIYSA-N 2 1 248.370 2.473 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCc2c1cccc2Cl ZINC000817970192 586852592 /nfs/dbraw/zinc/85/25/92/586852592.db2.gz NTEQECCAWZOTIM-UFBFGSQYSA-N 2 1 224.735 2.264 20 0 BEADMP CC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccc2c(c1)CCO2 ZINC000817966418 586854827 /nfs/dbraw/zinc/85/48/27/586854827.db2.gz NHSUPATXDLUPCP-ZWNOBZJWSA-N 2 1 234.343 2.009 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000817969652 586855867 /nfs/dbraw/zinc/85/58/67/586855867.db2.gz FWZNGOLXWJWSNF-SMDDNHRTSA-N 2 1 218.344 2.465 20 0 BEADMP CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc2c(c1)CCO2 ZINC000817970180 586857128 /nfs/dbraw/zinc/85/71/28/586857128.db2.gz NHSUPATXDLUPCP-GXFFZTMASA-N 2 1 234.343 2.009 20 0 BEADMP CC[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc2c(c1)CCCO2 ZINC000817974054 586860016 /nfs/dbraw/zinc/86/00/16/586860016.db2.gz XNLKDPCCZFRHBQ-SMDDNHRTSA-N 2 1 248.370 2.400 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000817977450 586861197 /nfs/dbraw/zinc/86/11/97/586861197.db2.gz KLQIUCFDJYZBMP-DCAQKATOSA-N 2 1 234.343 2.008 20 0 BEADMP C[NH+](C)[C@@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C1CC1 ZINC000825126940 587305801 /nfs/dbraw/zinc/30/58/01/587305801.db2.gz ULJYWBSNIIWPBA-RFGFWPKPSA-N 2 1 222.376 2.105 20 0 BEADMP C[C@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000825332316 587315176 /nfs/dbraw/zinc/31/51/76/587315176.db2.gz VKWULOUSXDXRAZ-RYUDHWBXSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC000825332316 587315177 /nfs/dbraw/zinc/31/51/77/587315177.db2.gz VKWULOUSXDXRAZ-RYUDHWBXSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000825332318 587315413 /nfs/dbraw/zinc/31/54/13/587315413.db2.gz VKWULOUSXDXRAZ-VXGBXAGGSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC000825332318 587315415 /nfs/dbraw/zinc/31/54/15/587315415.db2.gz VKWULOUSXDXRAZ-VXGBXAGGSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H](Cc1[nH]cc[nH+]1)OCCCCCCC[NH3+] ZINC000830360454 587547632 /nfs/dbraw/zinc/54/76/32/587547632.db2.gz ISGOAQXOUJDXQQ-LBPRGKRZSA-N 2 1 239.363 2.267 20 0 BEADMP C[C@@H]1CC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000834909620 587770357 /nfs/dbraw/zinc/77/03/57/587770357.db2.gz SPQUITOBSMPDLN-DGCLKSJQSA-N 2 1 210.365 2.249 20 0 BEADMP [NH3+][C@H](C[NH2+]Cc1cnc2ccccc2c1)C1CC1 ZINC000841050947 587939989 /nfs/dbraw/zinc/93/99/89/587939989.db2.gz LDPOXUUJWAHFHR-CQSZACIVSA-N 2 1 241.338 2.062 20 0 BEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000841076883 587943814 /nfs/dbraw/zinc/94/38/14/587943814.db2.gz RZTHYHALRZYSIJ-GHMZBOCLSA-N 2 1 248.370 2.225 20 0 BEADMP C[C@H](C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)C(C)(C)C ZINC000841105339 587946541 /nfs/dbraw/zinc/94/65/41/587946541.db2.gz KIRODYTYJBEPPE-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@@H+](CCCCCCC[NH3+])C[C@@H]1CCOC1 ZINC000842471690 588028935 /nfs/dbraw/zinc/02/89/35/588028935.db2.gz TUCATCIODVYGAN-AWEZNQCLSA-N 2 1 242.407 2.254 20 0 BEADMP C[N@H+](CCCCCCC[NH3+])Cc1ccon1 ZINC000842472742 588029302 /nfs/dbraw/zinc/02/93/02/588029302.db2.gz JVYZTXCXDULJFJ-UHFFFAOYSA-N 2 1 225.336 2.016 20 0 BEADMP C[N@@H+](CCCCCCC[NH3+])Cc1ccon1 ZINC000842472742 588029304 /nfs/dbraw/zinc/02/93/04/588029304.db2.gz JVYZTXCXDULJFJ-UHFFFAOYSA-N 2 1 225.336 2.016 20 0 BEADMP C[N@@H+](CCCc1ccncc1)C1CCC([NH3+])CC1 ZINC000843355349 588103175 /nfs/dbraw/zinc/10/31/75/588103175.db2.gz SZAHPOSMYLYPSY-UHFFFAOYSA-N 2 1 247.386 2.216 20 0 BEADMP Cc1ccc(C[N@H+](C)C2CCC([NH3+])CC2)c(C)n1 ZINC000843355647 588103373 /nfs/dbraw/zinc/10/33/73/588103373.db2.gz YZOCKPIYHFIHME-UHFFFAOYSA-N 2 1 247.386 2.400 20 0 BEADMP Cl/C=C/C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000846221251 588261240 /nfs/dbraw/zinc/26/12/40/588261240.db2.gz VICACEDIOOXPKE-HKJRJLCPSA-N 2 1 228.767 2.060 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000846223724 588261796 /nfs/dbraw/zinc/26/17/96/588261796.db2.gz MRZVMZSIOFAEKO-LBPRGKRZSA-N 2 1 236.363 2.066 20 0 BEADMP CCc1ccc(NC(=[NH2+])NC[C@@H](C)[NH+](C)C)cc1 ZINC000848996662 588429418 /nfs/dbraw/zinc/42/94/18/588429418.db2.gz NZKKVRMZYVLIHJ-LLVKDONJSA-N 2 1 248.374 2.135 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000852751353 588700340 /nfs/dbraw/zinc/70/03/40/588700340.db2.gz YWQJNDUBAGVXGQ-APIJFGDWSA-N 2 1 234.387 2.251 20 0 BEADMP C[C@@H]([NH3+])C[N@H+](C)Cc1cccc2ncccc12 ZINC000852754773 588700421 /nfs/dbraw/zinc/70/04/21/588700421.db2.gz LMYYXHLOGNFTES-LLVKDONJSA-N 2 1 229.327 2.014 20 0 BEADMP C[C@@H]([NH3+])C[N@@H+](C)Cc1cccc2ncccc12 ZINC000852754773 588700422 /nfs/dbraw/zinc/70/04/22/588700422.db2.gz LMYYXHLOGNFTES-LLVKDONJSA-N 2 1 229.327 2.014 20 0 BEADMP C[C@@H]([NH3+])C[N@H+](C)Cc1cccc2cnccc21 ZINC000863652841 589307603 /nfs/dbraw/zinc/30/76/03/589307603.db2.gz XHYZDSYFFHPISX-LLVKDONJSA-N 2 1 229.327 2.014 20 0 BEADMP C[C@@H]([NH3+])C[N@@H+](C)Cc1cccc2cnccc21 ZINC000863652841 589307604 /nfs/dbraw/zinc/30/76/04/589307604.db2.gz XHYZDSYFFHPISX-LLVKDONJSA-N 2 1 229.327 2.014 20 0 BEADMP Cc1cc(N2CC[N@H+](C)C(C)(C)CC2)cc[nH+]1 ZINC000866112680 589477300 /nfs/dbraw/zinc/47/73/00/589477300.db2.gz IQVVZPYQOBFRTL-UHFFFAOYSA-N 2 1 233.359 2.311 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2F)CC[N@@H+]1C ZINC000866449553 589493845 /nfs/dbraw/zinc/49/38/45/589493845.db2.gz DHMKHQAICNLNSD-FVCCEPFGSA-N 2 1 228.355 2.339 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2F)CC[N@H+]1C ZINC000866449553 589493847 /nfs/dbraw/zinc/49/38/47/589493847.db2.gz DHMKHQAICNLNSD-FVCCEPFGSA-N 2 1 228.355 2.339 20 0 BEADMP CCC[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866583364 589502024 /nfs/dbraw/zinc/50/20/24/589502024.db2.gz KFYMCSRHPGKGIP-AVGNSLFASA-N 2 1 210.365 2.201 20 0 BEADMP CCC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866583364 589502026 /nfs/dbraw/zinc/50/20/26/589502026.db2.gz KFYMCSRHPGKGIP-AVGNSLFASA-N 2 1 210.365 2.201 20 0 BEADMP CCC[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866583364 589502027 /nfs/dbraw/zinc/50/20/27/589502027.db2.gz KFYMCSRHPGKGIP-AVGNSLFASA-N 2 1 210.365 2.201 20 0 BEADMP CCC[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866583364 589502029 /nfs/dbraw/zinc/50/20/29/589502029.db2.gz KFYMCSRHPGKGIP-AVGNSLFASA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]([NH3+])C1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000866658815 589507809 /nfs/dbraw/zinc/50/78/09/589507809.db2.gz AUNMYHMVEBLXRW-JTQLQIEISA-N 2 1 249.358 2.111 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000866717573 589514322 /nfs/dbraw/zinc/51/43/22/589514322.db2.gz JBIMVOAVIVTQAN-UHFFFAOYSA-N 2 1 231.343 2.209 20 0 BEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C/C=C\Cl)C1 ZINC000866709050 589514367 /nfs/dbraw/zinc/51/43/67/589514367.db2.gz VKOVQWUPUDWHBJ-TXNVCOODSA-N 2 1 230.783 2.436 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000866704867 589514558 /nfs/dbraw/zinc/51/45/58/589514558.db2.gz ZAFAXPRKSYZRKG-QWHCGFSZSA-N 2 1 242.432 2.190 20 0 BEADMP CCOCCC[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705532 589514798 /nfs/dbraw/zinc/51/47/98/589514798.db2.gz BVKZNHWTVNIJID-CQSZACIVSA-N 2 1 242.407 2.110 20 0 BEADMP CC(C)=CCC[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866722691 589515196 /nfs/dbraw/zinc/51/51/96/589515196.db2.gz CDTIXGXGMBXAND-CHWSQXEVSA-N 2 1 208.349 2.169 20 0 BEADMP CC(C)=CCC[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866722691 589515197 /nfs/dbraw/zinc/51/51/97/589515197.db2.gz CDTIXGXGMBXAND-CHWSQXEVSA-N 2 1 208.349 2.169 20 0 BEADMP C(C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21)C1CCC1 ZINC000866723069 589515390 /nfs/dbraw/zinc/51/53/90/589515390.db2.gz GAOFZTFDZRLYDB-STQMWFEESA-N 2 1 208.349 2.003 20 0 BEADMP C(C[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21)C1CCC1 ZINC000866723069 589515392 /nfs/dbraw/zinc/51/53/92/589515392.db2.gz GAOFZTFDZRLYDB-STQMWFEESA-N 2 1 208.349 2.003 20 0 BEADMP Cc1cncc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000866720417 589515536 /nfs/dbraw/zinc/51/55/36/589515536.db2.gz KXFDCEHTRCPLMI-HIFRSBDPSA-N 2 1 245.370 2.136 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])Cc1cccc(N)c1 ZINC000872155555 589886572 /nfs/dbraw/zinc/88/65/72/589886572.db2.gz PZJHHUQQZVDUNC-UHFFFAOYSA-N 2 1 235.375 2.220 20 0 BEADMP CC[N@H+]1CCCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872448269 589940267 /nfs/dbraw/zinc/94/02/67/589940267.db2.gz MHIOPRUCRWETGJ-UHFFFAOYSA-N 2 1 245.370 2.491 20 0 BEADMP C[C@@H]1C[C@H](Nc2cc[nH+]cc2C2CC2)CC[N@H+]1C ZINC000872463051 589942077 /nfs/dbraw/zinc/94/20/77/589942077.db2.gz HKKVXKVODPJSHG-DGCLKSJQSA-N 2 1 245.370 2.276 20 0 BEADMP COC[C@@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)C(C)C ZINC000873234203 590003995 /nfs/dbraw/zinc/00/39/95/590003995.db2.gz DIYJRHMECVLBDF-CHWSQXEVSA-N 2 1 242.407 2.025 20 0 BEADMP COCCC[C@H](C)[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873236920 590004536 /nfs/dbraw/zinc/00/45/36/590004536.db2.gz KTKJSOPWXMYLEB-QWHCGFSZSA-N 2 1 242.407 2.169 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)C(C)(F)F ZINC000873253151 590009711 /nfs/dbraw/zinc/00/97/11/590009711.db2.gz UMYAYTPPYCUPJB-ZJUUUORDSA-N 2 1 234.334 2.255 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2(C)CCCC2)C1 ZINC000876730078 590234390 /nfs/dbraw/zinc/23/43/90/590234390.db2.gz BOPUEPUHDYXIAQ-ZDUSSCGKSA-N 2 1 224.392 2.450 20 0 BEADMP C=C/C=C\CC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000878167685 590514196 /nfs/dbraw/zinc/51/41/96/590514196.db2.gz XTAQYJGBDQPQLC-AFNCTOJWSA-N 2 1 222.376 2.392 20 0 BEADMP C=C/C=C\CC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000878167685 590514197 /nfs/dbraw/zinc/51/41/97/590514197.db2.gz XTAQYJGBDQPQLC-AFNCTOJWSA-N 2 1 222.376 2.392 20 0 BEADMP C=C/C=C\CC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000878167685 590514199 /nfs/dbraw/zinc/51/41/99/590514199.db2.gz XTAQYJGBDQPQLC-AFNCTOJWSA-N 2 1 222.376 2.392 20 0 BEADMP C=C/C=C\CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000878645266 590600667 /nfs/dbraw/zinc/60/06/67/590600667.db2.gz JEYUVGNBJYNHJE-ZRUQZJFASA-N 2 1 220.360 2.146 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1C[C@H](OC)CC[C@H]1C ZINC000879326840 590748088 /nfs/dbraw/zinc/74/80/88/590748088.db2.gz TZABLFFIELICBA-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP CCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879574350 590813324 /nfs/dbraw/zinc/81/33/24/590813324.db2.gz ZSYTXABKIQGRQV-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP CCCCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879574350 590813315 /nfs/dbraw/zinc/81/33/15/590813315.db2.gz ZSYTXABKIQGRQV-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP CCCCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879574350 590813318 /nfs/dbraw/zinc/81/33/18/590813318.db2.gz ZSYTXABKIQGRQV-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP CCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879574350 590813321 /nfs/dbraw/zinc/81/33/21/590813321.db2.gz ZSYTXABKIQGRQV-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP C[N@@H+]1CC[C@H]2C[NH+](CCC3CCC3)CC[C@H]21 ZINC000879580085 590818718 /nfs/dbraw/zinc/81/87/18/590818718.db2.gz RETARBYKRJESBU-UONOGXRCSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@H+]1CC[C@H]2C[NH+](CCC3CCC3)CC[C@H]21 ZINC000879580085 590818720 /nfs/dbraw/zinc/81/87/20/590818720.db2.gz RETARBYKRJESBU-UONOGXRCSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](CCC3CCC3)CC[C@H]21 ZINC000879580085 590818723 /nfs/dbraw/zinc/81/87/23/590818723.db2.gz RETARBYKRJESBU-UONOGXRCSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](CCC3CCC3)CC[C@H]21 ZINC000879580085 590818724 /nfs/dbraw/zinc/81/87/24/590818724.db2.gz RETARBYKRJESBU-UONOGXRCSA-N 2 1 222.376 2.203 20 0 BEADMP CC[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258907 590978610 /nfs/dbraw/zinc/97/86/10/590978610.db2.gz DTDKOFKGIJKAIV-STQMWFEESA-N 2 1 233.359 2.391 20 0 BEADMP C[N@@H+](CCF)CCCC[NH+]1CCCCC1 ZINC000880517356 591083858 /nfs/dbraw/zinc/08/38/58/591083858.db2.gz OGICZECCJFRZLG-UHFFFAOYSA-N 2 1 216.344 2.154 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C=CCC2)CC1(C)C ZINC000883236704 591582341 /nfs/dbraw/zinc/58/23/41/591582341.db2.gz IWGMXYIJANPITI-CHWSQXEVSA-N 2 1 222.376 2.415 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C=CCC2)[C@H]2CCC[C@H]21 ZINC000883245584 591586307 /nfs/dbraw/zinc/58/63/07/591586307.db2.gz NYJLBENQQMZIOY-APIJFGDWSA-N 2 1 234.387 2.415 20 0 BEADMP C[NH+]1CCC([NH2+]CC2(CC3CC3)CC2)CC1 ZINC000883249337 591589982 /nfs/dbraw/zinc/58/99/82/591589982.db2.gz CRNRJQOKNQFYNQ-UHFFFAOYSA-N 2 1 222.376 2.251 20 0 BEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@@H]1CCCC(C)(C)O1 ZINC000883430426 591652254 /nfs/dbraw/zinc/65/22/54/591652254.db2.gz VEVRHXQGZUIWJW-NWDGAFQWSA-N 2 1 242.407 2.297 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883416017 591652693 /nfs/dbraw/zinc/65/26/93/591652693.db2.gz JWNBXQTZFQLHBA-VXGBXAGGSA-N 2 1 246.345 2.483 20 0 BEADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCC2(F)F)CC[C@@H]1[NH3+] ZINC000883417809 591654005 /nfs/dbraw/zinc/65/40/05/591654005.db2.gz NSFKDSANWZQVLX-UTUOFQBUSA-N 2 1 246.345 2.481 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+]1CC[C@@H]1CCCC1(F)F ZINC000883417953 591654712 /nfs/dbraw/zinc/65/47/12/591654712.db2.gz SLSPAYLRBSIYRQ-WDEREUQCSA-N 2 1 232.318 2.235 20 0 BEADMP [NH3+]C[C@H]1CCC[N@H+]1CC[C@@H]1CCCC1(F)F ZINC000883417953 591654714 /nfs/dbraw/zinc/65/47/14/591654714.db2.gz SLSPAYLRBSIYRQ-WDEREUQCSA-N 2 1 232.318 2.235 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883424100 591658974 /nfs/dbraw/zinc/65/89/74/591658974.db2.gz GBEXPGHCUCBGQQ-SDDRHHMPSA-N 2 1 246.345 2.481 20 0 BEADMP C=C/C=C\CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000883429359 591660939 /nfs/dbraw/zinc/66/09/39/591660939.db2.gz SOXWCNWDZCMVTE-CGXNLCPXSA-N 2 1 234.387 2.440 20 0 BEADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000132473534 591711952 /nfs/dbraw/zinc/71/19/52/591711952.db2.gz LRYJRLYDCJWFFM-HLVVYCRESA-N 2 1 222.376 2.247 20 0 BEADMP C[N@H+]1CC[C@]2(CC[NH+](CC[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC000886215558 592178676 /nfs/dbraw/zinc/17/86/76/592178676.db2.gz MQFQFQQYWYGVJX-PMPSAXMXSA-N 2 1 248.414 2.450 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@H+](CC[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC000886215558 592178678 /nfs/dbraw/zinc/17/86/78/592178678.db2.gz MQFQFQQYWYGVJX-PMPSAXMXSA-N 2 1 248.414 2.450 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@@H+](CC[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC000886215558 592178680 /nfs/dbraw/zinc/17/86/80/592178680.db2.gz MQFQFQQYWYGVJX-PMPSAXMXSA-N 2 1 248.414 2.450 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@@H]3C[C@H]3C3CC3)CC[C@@H]21 ZINC000886310041 592205330 /nfs/dbraw/zinc/20/53/30/592205330.db2.gz CDPUMNHQOMHXGD-WCVJEAGWSA-N 2 1 248.414 2.449 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@@H]3C[C@H]3C3CC3)CC[C@@H]21 ZINC000886310041 592205331 /nfs/dbraw/zinc/20/53/31/592205331.db2.gz CDPUMNHQOMHXGD-WCVJEAGWSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@@H]3C[C@H]3C3CC3)CC[C@@H]21 ZINC000886310041 592205333 /nfs/dbraw/zinc/20/53/33/592205333.db2.gz CDPUMNHQOMHXGD-WCVJEAGWSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@@H]3C[C@H]3C3CC3)CC[C@@H]21 ZINC000886310041 592205335 /nfs/dbraw/zinc/20/53/35/592205335.db2.gz CDPUMNHQOMHXGD-WCVJEAGWSA-N 2 1 248.414 2.449 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ncco1 ZINC000886537207 592251016 /nfs/dbraw/zinc/25/10/16/592251016.db2.gz WIKXCDVLCULCOF-MNOVXSKESA-N 2 1 248.330 2.166 20 0 BEADMP CC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886665762 592295966 /nfs/dbraw/zinc/29/59/66/592295966.db2.gz GECOKGSERCDYTB-UHFFFAOYSA-N 2 1 207.321 2.226 20 0 BEADMP C[C@@](C[NH3+])([NH2+]CC[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000886829440 592351025 /nfs/dbraw/zinc/35/10/25/592351025.db2.gz AFSBSWBCJOBRSQ-XBFCOCLRSA-N 2 1 222.376 2.140 20 0 BEADMP C[C@@H]1CC[N@H+](CC[NH3+])[C@@H]1c1ccccc1 ZINC000886858387 592369943 /nfs/dbraw/zinc/36/99/43/592369943.db2.gz YRWINTXGRFPHCI-YPMHNXCESA-N 2 1 204.317 2.028 20 0 BEADMP C[C@@H]1CC[N@@H+](CC[NH3+])[C@@H]1c1ccccc1 ZINC000886858387 592369947 /nfs/dbraw/zinc/36/99/47/592369947.db2.gz YRWINTXGRFPHCI-YPMHNXCESA-N 2 1 204.317 2.028 20 0 BEADMP C[C@H]1CC[N@H+](CC[NH3+])[C@H]1c1ccccc1 ZINC000886858386 592370609 /nfs/dbraw/zinc/37/06/09/592370609.db2.gz YRWINTXGRFPHCI-WCQYABFASA-N 2 1 204.317 2.028 20 0 BEADMP C[C@H]1CC[N@@H+](CC[NH3+])[C@H]1c1ccccc1 ZINC000886858386 592370614 /nfs/dbraw/zinc/37/06/14/592370614.db2.gz YRWINTXGRFPHCI-WCQYABFASA-N 2 1 204.317 2.028 20 0 BEADMP CC[C@@H](C)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886870198 592374847 /nfs/dbraw/zinc/37/48/47/592374847.db2.gz SFDLIPNFKVVMJK-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP CC[C@H](C)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886870197 592375606 /nfs/dbraw/zinc/37/56/06/592375606.db2.gz SFDLIPNFKVVMJK-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP CCSCC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886870342 592375735 /nfs/dbraw/zinc/37/57/35/592375735.db2.gz WMBVOCPCBCELKP-ZDUSSCGKSA-N 2 1 242.432 2.205 20 0 BEADMP c1cncc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886872125 592376222 /nfs/dbraw/zinc/37/62/22/592376222.db2.gz JUEXYZYNQXFXKV-OAHLLOKOSA-N 2 1 245.370 2.047 20 0 BEADMP c1cncc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886872125 592376227 /nfs/dbraw/zinc/37/62/27/592376227.db2.gz JUEXYZYNQXFXKV-OAHLLOKOSA-N 2 1 245.370 2.047 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886873925 592376688 /nfs/dbraw/zinc/37/66/88/592376688.db2.gz BOFYTCMINVOAHK-HZSPNIEDSA-N 2 1 222.376 2.108 20 0 BEADMP FC(F)C[N@H+](CC[C@@H]1CCC[NH2+]C1)C1CCC1 ZINC000886881269 592380861 /nfs/dbraw/zinc/38/08/61/592380861.db2.gz WXYWKSAYLNWSLU-NSHDSACASA-N 2 1 246.345 2.496 20 0 BEADMP FC(F)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CCC1 ZINC000886881269 592380866 /nfs/dbraw/zinc/38/08/66/592380866.db2.gz WXYWKSAYLNWSLU-NSHDSACASA-N 2 1 246.345 2.496 20 0 BEADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC1CC1 ZINC000887132916 592448516 /nfs/dbraw/zinc/44/85/16/592448516.db2.gz QAVYXJWFYXUYSB-GFCCVEGCSA-N 2 1 231.343 2.002 20 0 BEADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC1CCC1 ZINC000887132841 592449791 /nfs/dbraw/zinc/44/97/91/592449791.db2.gz OKITZONQYXIDDT-ZDUSSCGKSA-N 2 1 245.370 2.392 20 0 BEADMP CCCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130848 592449860 /nfs/dbraw/zinc/44/98/60/592449860.db2.gz LRPCIFLAXJDBNT-ZDUSSCGKSA-N 2 1 233.359 2.392 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@H+](C)CCCF ZINC000887141479 592456511 /nfs/dbraw/zinc/45/65/11/592456511.db2.gz VXTIRVNXCKBRIF-UHFFFAOYSA-N 2 1 227.327 2.263 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCCF ZINC000887141479 592456513 /nfs/dbraw/zinc/45/65/13/592456513.db2.gz VXTIRVNXCKBRIF-UHFFFAOYSA-N 2 1 227.327 2.263 20 0 BEADMP C[NH+](C/C=C\C[N@@H+](C)CCCF)CCCF ZINC000887141270 592457041 /nfs/dbraw/zinc/45/70/41/592457041.db2.gz MDQFDCZVZFFTBH-ARJAWSKDSA-N 2 1 234.334 2.125 20 0 BEADMP CS[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000300359747 592507833 /nfs/dbraw/zinc/50/78/33/592507833.db2.gz RADYXVCYMWTTSN-MROQNXINSA-N 2 1 242.432 2.343 20 0 BEADMP CS[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000300359747 592507837 /nfs/dbraw/zinc/50/78/37/592507837.db2.gz RADYXVCYMWTTSN-MROQNXINSA-N 2 1 242.432 2.343 20 0 BEADMP CC1(C)[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)C1(F)F ZINC000925704811 634383988 /nfs/dbraw/zinc/38/39/88/634383988.db2.gz FKWCEMNMLUHOER-NXEZZACHSA-N 2 1 244.329 2.152 20 0 BEADMP Cc1noc(C)c1[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000925707324 634394091 /nfs/dbraw/zinc/39/40/91/634394091.db2.gz PEEQTFKTQFMLER-SNVBAGLBSA-N 2 1 249.358 2.204 20 0 BEADMP C[C@H]([NH3+])[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1 ZINC000925708570 634402382 /nfs/dbraw/zinc/40/23/82/634402382.db2.gz RSMJERKERMMFTG-DJIJKHNZSA-N 2 1 230.355 2.463 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@]1(C)CC1(F)F ZINC000925709085 634403856 /nfs/dbraw/zinc/40/38/56/634403856.db2.gz OAIQCMYBRHANMC-HBNTYKKESA-N 2 1 232.318 2.152 20 0 BEADMP C[C@@H](c1ccncc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257696376 634467235 /nfs/dbraw/zinc/46/72/35/634467235.db2.gz KEMSOKTYPOIRMF-ZFWWWQNUSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@@H](c1ccncc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257696376 634467239 /nfs/dbraw/zinc/46/72/39/634467239.db2.gz KEMSOKTYPOIRMF-ZFWWWQNUSA-N 2 1 245.370 2.218 20 0 BEADMP C1=CC[C@@H]2C[N@H+](CCC3CC[NH2+]CC3)C[C@@H]2C1 ZINC000310352919 635665785 /nfs/dbraw/zinc/66/57/85/635665785.db2.gz RBZHJQQGBWEIGS-GASCZTMLSA-N 2 1 234.387 2.274 20 0 BEADMP C[C@@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)C(C)(C)C ZINC000308839015 631678050 /nfs/dbraw/zinc/67/80/50/631678050.db2.gz XUZNTULKTWUHMB-RYUDHWBXSA-N 2 1 212.381 2.339 20 0 BEADMP CCCCCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000308890425 631714992 /nfs/dbraw/zinc/71/49/92/631714992.db2.gz XWVIZZMDRKBCKP-ZDUSSCGKSA-N 2 1 210.365 2.252 20 0 BEADMP CC[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000051919087 632012124 /nfs/dbraw/zinc/01/21/24/632012124.db2.gz XXHXHORAPOSYLZ-STQMWFEESA-N 2 1 210.365 2.251 20 0 BEADMP CC[C@H]1CCC[N@H+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000309437255 632047418 /nfs/dbraw/zinc/04/74/18/632047418.db2.gz NCJAJHXWTKWOAI-WDEREUQCSA-N 2 1 234.334 2.481 20 0 BEADMP CC[C@H]1CCC[N@@H+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000309437255 632047429 /nfs/dbraw/zinc/04/74/29/632047429.db2.gz NCJAJHXWTKWOAI-WDEREUQCSA-N 2 1 234.334 2.481 20 0 BEADMP C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000091544810 632069848 /nfs/dbraw/zinc/06/98/48/632069848.db2.gz GNQYQQCCTPUMAT-OCCSQVGLSA-N 2 1 236.334 2.385 20 0 BEADMP CC(C)(C)[NH2+]CC[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000309509761 632432617 /nfs/dbraw/zinc/43/26/17/632432617.db2.gz OTESVNIAZRVCDI-BETUJISGSA-N 2 1 222.376 2.273 20 0 BEADMP CC(C)(C)[NH2+]CC[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000309509761 632432623 /nfs/dbraw/zinc/43/26/23/632432623.db2.gz OTESVNIAZRVCDI-BETUJISGSA-N 2 1 222.376 2.273 20 0 BEADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251227930 632545448 /nfs/dbraw/zinc/54/54/48/632545448.db2.gz AKGQDDMJMODQML-XQQFMLRXSA-N 2 1 233.359 2.202 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000252969959 632564269 /nfs/dbraw/zinc/56/42/69/632564269.db2.gz WRIPMOIYFYFAPJ-RAIGVLPGSA-N 2 1 210.365 2.140 20 0 BEADMP CCC[C@H](C)[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000219755500 632565111 /nfs/dbraw/zinc/56/51/11/632565111.db2.gz LUXODJLMFNOTAY-STQMWFEESA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1(Cl)CC1 ZINC000926573781 632571491 /nfs/dbraw/zinc/57/14/91/632571491.db2.gz QBVPQSPIFUDYCR-VXGBXAGGSA-N 2 1 244.810 2.468 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@H]1C ZINC000309164420 632655445 /nfs/dbraw/zinc/65/54/45/632655445.db2.gz IIDFIMMUBBCNDG-JHJVBQTASA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@H]1C ZINC000309164420 632655448 /nfs/dbraw/zinc/65/54/48/632655448.db2.gz IIDFIMMUBBCNDG-JHJVBQTASA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C[NH3+] ZINC000095917470 632726423 /nfs/dbraw/zinc/72/64/23/632726423.db2.gz FKMJKEQHUVZBJG-TZMCWYRMSA-N 2 1 218.344 2.103 20 0 BEADMP C[C@]1(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CCC[NH2+]C1 ZINC000310555055 632756576 /nfs/dbraw/zinc/75/65/76/632756576.db2.gz HUZBXPHKSZYJRG-ZNMIVQPWSA-N 2 1 236.403 2.498 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)c(C)c1 ZINC000235676838 632812906 /nfs/dbraw/zinc/81/29/06/632812906.db2.gz IRCJMUWLVDWJSC-ZFWWWQNUSA-N 2 1 232.371 2.391 20 0 BEADMP Cc1cc(C)c(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)c(C)c1 ZINC000235676838 632812907 /nfs/dbraw/zinc/81/29/07/632812907.db2.gz IRCJMUWLVDWJSC-ZFWWWQNUSA-N 2 1 232.371 2.391 20 0 BEADMP C[C@H]1C[C@H](C[N@H+]2C[C@@H]3CCC[C@@H]3C2)CC[NH2+]1 ZINC000235697381 632816757 /nfs/dbraw/zinc/81/67/57/632816757.db2.gz VLRLSDLJSDDBBN-RFQIPJPRSA-N 2 1 222.376 2.106 20 0 BEADMP CC[C@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000309437251 633071674 /nfs/dbraw/zinc/07/16/74/633071674.db2.gz NCJAJHXWTKWOAI-QWRGUYRKSA-N 2 1 234.334 2.481 20 0 BEADMP CC[C@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000309437251 633071677 /nfs/dbraw/zinc/07/16/77/633071677.db2.gz NCJAJHXWTKWOAI-QWRGUYRKSA-N 2 1 234.334 2.481 20 0 BEADMP CC(C)CC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000309452274 633084962 /nfs/dbraw/zinc/08/49/62/633084962.db2.gz MVFMFDKGCLLRHP-UHFFFAOYSA-N 2 1 212.381 2.482 20 0 BEADMP C[N@H+]1CC[C@@H]2CN(CC3CC(F)(F)C3)CC[C@H]21 ZINC000879578446 635866941 /nfs/dbraw/zinc/86/69/41/635866941.db2.gz FECSQPDFZCCFPC-VXGBXAGGSA-N 2 1 244.329 2.058 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](CC3CC(F)(F)C3)CC[C@H]21 ZINC000879578446 635866944 /nfs/dbraw/zinc/86/69/44/635866944.db2.gz FECSQPDFZCCFPC-VXGBXAGGSA-N 2 1 244.329 2.058 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CC(F)(F)C3)CC[C@H]21 ZINC000879578446 635866947 /nfs/dbraw/zinc/86/69/47/635866947.db2.gz FECSQPDFZCCFPC-VXGBXAGGSA-N 2 1 244.329 2.058 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CC(F)(F)C3)CC[C@H]21 ZINC000879578446 635866948 /nfs/dbraw/zinc/86/69/48/635866948.db2.gz FECSQPDFZCCFPC-VXGBXAGGSA-N 2 1 244.329 2.058 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CC(F)(F)C3)CC[C@H]21 ZINC000879578446 635866949 /nfs/dbraw/zinc/86/69/49/635866949.db2.gz FECSQPDFZCCFPC-VXGBXAGGSA-N 2 1 244.329 2.058 20 0 BEADMP CC(C)C[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000307826090 633123701 /nfs/dbraw/zinc/12/37/01/633123701.db2.gz YTGGONKADYDMPQ-MCIONIFRSA-N 2 1 224.392 2.210 20 0 BEADMP CC1(C)C[N@@H+](CCCCCC[NH3+])CCCO1 ZINC000309609357 633211283 /nfs/dbraw/zinc/21/12/83/633211283.db2.gz ZNLWAFMPLGGFDO-UHFFFAOYSA-N 2 1 228.380 2.006 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[C@@H]1C ZINC000309828963 633787968 /nfs/dbraw/zinc/78/79/68/633787968.db2.gz XZNNYPLXNSLWAC-WCQYABFASA-N 2 1 221.348 2.360 20 0 BEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCNc1ccccc1 ZINC000925506738 633840962 /nfs/dbraw/zinc/84/09/62/633840962.db2.gz WYTPRBMKELZUHH-CQSZACIVSA-N 2 1 247.386 2.219 20 0 BEADMP C[C@@H](C1CC1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000930575994 633905743 /nfs/dbraw/zinc/90/57/43/633905743.db2.gz AVXSLDMLKSYHIE-GXTWGEPZSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H](C1CC1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000930575994 633905748 /nfs/dbraw/zinc/90/57/48/633905748.db2.gz AVXSLDMLKSYHIE-GXTWGEPZSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H](C1CC1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000930575994 633905756 /nfs/dbraw/zinc/90/57/56/633905756.db2.gz AVXSLDMLKSYHIE-GXTWGEPZSA-N 2 1 222.376 2.203 20 0 BEADMP Cc1nc(C)c(C[NH2+]CC2([NH3+])CCCC2)s1 ZINC000309609477 633971170 /nfs/dbraw/zinc/97/11/70/633971170.db2.gz METUSSMZTOAWCP-UHFFFAOYSA-N 2 1 239.388 2.121 20 0 BEADMP C[C@](C[NH3+])([NH2+]CCc1cccs1)C1CC1 ZINC000309829858 634019019 /nfs/dbraw/zinc/01/90/19/634019019.db2.gz YFRANJYTTKSRON-GFCCVEGCSA-N 2 1 224.373 2.008 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(C2CC2)CC1 ZINC000925613492 634154229 /nfs/dbraw/zinc/15/42/29/634154229.db2.gz RTWYTWOUKRSKAR-ONXXMXGDSA-N 2 1 234.387 2.106 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000925679314 634275650 /nfs/dbraw/zinc/27/56/50/634275650.db2.gz IURNGFFPXKTMBX-CHWSQXEVSA-N 2 1 247.386 2.089 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000925684765 634295438 /nfs/dbraw/zinc/29/54/38/634295438.db2.gz IZLKAJKAMCCYOS-ONGXEEELSA-N 2 1 232.318 2.152 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C)c1c[nH+]ccc1N ZINC000925773447 635225331 /nfs/dbraw/zinc/22/53/31/635225331.db2.gz NSCJXQKZLTWAFZ-VLJOUNFMSA-N 2 1 245.370 2.437 20 0 BEADMP CCOc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094338821 635298481 /nfs/dbraw/zinc/29/84/81/635298481.db2.gz VPOQJSALLOSYPS-OCCSQVGLSA-N 2 1 248.370 2.254 20 0 BEADMP CCOc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094338821 635298486 /nfs/dbraw/zinc/29/84/86/635298486.db2.gz VPOQJSALLOSYPS-OCCSQVGLSA-N 2 1 248.370 2.254 20 0 BEADMP CCC[NH+]1CCC([NH2+]C/C=C\Cl)CC1 ZINC000308426524 635563475 /nfs/dbraw/zinc/56/34/75/635563475.db2.gz XVEVPLROFPOFCI-UTCJRWHESA-N 2 1 216.756 2.203 20 0 BEADMP COc1ccccc1/C=C\C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414792567 635818019 /nfs/dbraw/zinc/81/80/19/635818019.db2.gz JDDDHLBFTVZAAK-QPBFKRLHSA-N 2 1 248.370 2.281 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1C ZINC000125534651 636024154 /nfs/dbraw/zinc/02/41/54/636024154.db2.gz MPGIDDMOXZUUOS-AWEZNQCLSA-N 2 1 232.371 2.474 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CC[N@@H+]1C ZINC000925143522 636295914 /nfs/dbraw/zinc/29/59/14/636295914.db2.gz QRNOWPHGSKNJHM-SEBNEYGDSA-N 2 1 234.387 2.413 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CC[N@H+]1C ZINC000925143522 636295917 /nfs/dbraw/zinc/29/59/17/636295917.db2.gz QRNOWPHGSKNJHM-SEBNEYGDSA-N 2 1 234.387 2.413 20 0 BEADMP CC1(C)CCC[N@@H+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000084386224 636875955 /nfs/dbraw/zinc/87/59/55/636875955.db2.gz XDHGCTPBSKFALH-CYBMUJFWSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]([NH3+])C1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000086839920 636888030 /nfs/dbraw/zinc/88/80/30/636888030.db2.gz CMAUTULPBVGLIV-SECBINFHSA-N 2 1 239.750 2.299 20 0 BEADMP C1=C[C@@H]2CC[C@H]1C[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000924650065 636974575 /nfs/dbraw/zinc/97/45/75/636974575.db2.gz POUNTDNKBLZQFX-DSJMHWKBSA-N 2 1 246.398 2.415 20 0 BEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)C1CC1 ZINC000902754508 637331157 /nfs/dbraw/zinc/33/11/57/637331157.db2.gz DXKMTPSQLBRCEQ-LXTVHRRPSA-N 2 1 236.403 2.495 20 0 BEADMP CO[C@H]1CCC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000903182503 637352217 /nfs/dbraw/zinc/35/22/17/637352217.db2.gz CGVNWPIEHWFXFC-KBPBESRZSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@]1(C[NH2+][C@@H]2CCCc3cccnc32)CC[NH2+]C1 ZINC000904427956 637398232 /nfs/dbraw/zinc/39/82/32/637398232.db2.gz BMDFWLJOAPHEDA-UKRRQHHQSA-N 2 1 245.370 2.048 20 0 BEADMP CC(C)COc1ccc(C[NH2+]CC2([NH3+])CC2)cc1 ZINC000904449395 637415213 /nfs/dbraw/zinc/41/52/13/637415213.db2.gz KEABRIMYVNHXJS-UHFFFAOYSA-N 2 1 248.370 2.302 20 0 BEADMP C[N@H+]1CCCC[C@@H]1CCON=C(N)C1CCC1 ZINC000906507440 638179809 /nfs/dbraw/zinc/17/98/09/638179809.db2.gz CMJICRULQCPMQM-GFCCVEGCSA-N 2 1 239.363 2.159 20 0 BEADMP C[N@@H+]1CCCC[C@@H]1CCO[NH+]=C(N)C1CCC1 ZINC000906507440 638179812 /nfs/dbraw/zinc/17/98/12/638179812.db2.gz CMJICRULQCPMQM-GFCCVEGCSA-N 2 1 239.363 2.159 20 0 BEADMP C[N@H+]1CCCC[C@@H]1CCO[NH+]=C(N)C1CCC1 ZINC000906507440 638179818 /nfs/dbraw/zinc/17/98/18/638179818.db2.gz CMJICRULQCPMQM-GFCCVEGCSA-N 2 1 239.363 2.159 20 0 BEADMP CC(C)(C)c1ncc(C[NH2+]C2CC([NH3+])C2)s1 ZINC000906509217 638182481 /nfs/dbraw/zinc/18/24/81/638182481.db2.gz AYQAYRYDOZQGMK-UHFFFAOYSA-N 2 1 239.388 2.020 20 0 BEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000906508712 638182546 /nfs/dbraw/zinc/18/25/46/638182546.db2.gz VZQNVSWWOFIBBJ-KYZUINATSA-N 2 1 228.698 2.058 20 0 BEADMP COc1cccc2cc(C[NH2+][C@H]3C[C@H]([NH3+])C3)oc21 ZINC000906517795 638188580 /nfs/dbraw/zinc/18/85/80/638188580.db2.gz RDTQVSMJCJOEKB-XYPYZODXSA-N 2 1 246.310 2.021 20 0 BEADMP CCCC[NH2+][C@H](C)C[N@H+](C)CCCC ZINC000906530757 638197717 /nfs/dbraw/zinc/19/77/17/638197717.db2.gz BICIAHFHJWQAKK-GFCCVEGCSA-N 2 1 200.370 2.497 20 0 BEADMP CCCC[NH2+][C@H](C)C[N@@H+](C)CCCC ZINC000906530757 638197721 /nfs/dbraw/zinc/19/77/21/638197721.db2.gz BICIAHFHJWQAKK-GFCCVEGCSA-N 2 1 200.370 2.497 20 0 BEADMP CCCC[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000906534119 638201556 /nfs/dbraw/zinc/20/15/56/638201556.db2.gz OOEBJPMDUYZGLU-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP CC1CC(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000930554449 639810299 /nfs/dbraw/zinc/81/02/99/639810299.db2.gz GZNAWOMTVWJPIV-RUXDESIVSA-N 2 1 222.376 2.060 20 0 BEADMP CC1CC(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000930554449 639810300 /nfs/dbraw/zinc/81/03/00/639810300.db2.gz GZNAWOMTVWJPIV-RUXDESIVSA-N 2 1 222.376 2.060 20 0 BEADMP CC1CC(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000930554449 639810301 /nfs/dbraw/zinc/81/03/01/639810301.db2.gz GZNAWOMTVWJPIV-RUXDESIVSA-N 2 1 222.376 2.060 20 0 BEADMP CC1CC(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000930576024 639813154 /nfs/dbraw/zinc/81/31/54/639813154.db2.gz GZHCHLOLNFKVBK-YMAMQOFZSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21 ZINC000931279450 640131838 /nfs/dbraw/zinc/13/18/38/640131838.db2.gz JBZXIFFGPUYBEV-WDNDVIMCSA-N 2 1 222.376 2.059 20 0 BEADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21 ZINC000931279450 640131843 /nfs/dbraw/zinc/13/18/43/640131843.db2.gz JBZXIFFGPUYBEV-WDNDVIMCSA-N 2 1 222.376 2.059 20 0 BEADMP CCCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931306626 640138601 /nfs/dbraw/zinc/13/86/01/640138601.db2.gz LEIRHAUJBJPEDU-BETUJISGSA-N 2 1 210.365 2.060 20 0 BEADMP CCCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931306626 640138611 /nfs/dbraw/zinc/13/86/11/640138611.db2.gz LEIRHAUJBJPEDU-BETUJISGSA-N 2 1 210.365 2.060 20 0 BEADMP CCCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931306626 640138618 /nfs/dbraw/zinc/13/86/18/640138618.db2.gz LEIRHAUJBJPEDU-BETUJISGSA-N 2 1 210.365 2.060 20 0 BEADMP CCCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931306626 640138626 /nfs/dbraw/zinc/13/86/26/640138626.db2.gz LEIRHAUJBJPEDU-BETUJISGSA-N 2 1 210.365 2.060 20 0 BEADMP CC[C@H](C)[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931314060 640151804 /nfs/dbraw/zinc/15/18/04/640151804.db2.gz JCVJHOSOEVGWBU-YNEHKIRRSA-N 2 1 210.365 2.059 20 0 BEADMP CCCCOCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931350180 640166487 /nfs/dbraw/zinc/16/64/87/640166487.db2.gz FCQRLNCRCUGVBZ-UHFFFAOYSA-N 2 1 242.407 2.219 20 0 BEADMP Cc1cccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1 ZINC000931428893 640196474 /nfs/dbraw/zinc/19/64/74/640196474.db2.gz BBDATAJRZVOKPO-CVEARBPZSA-N 2 1 244.382 2.379 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC000931428893 640196479 /nfs/dbraw/zinc/19/64/79/640196479.db2.gz BBDATAJRZVOKPO-CVEARBPZSA-N 2 1 244.382 2.379 20 0 BEADMP Cc1cccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC000931428893 640196485 /nfs/dbraw/zinc/19/64/85/640196485.db2.gz BBDATAJRZVOKPO-CVEARBPZSA-N 2 1 244.382 2.379 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000931428674 640197484 /nfs/dbraw/zinc/19/74/84/640197484.db2.gz YQHGTZQSDNLKJE-KGLIPLIRSA-N 2 1 248.345 2.209 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccccc3)C[C@@H]2C1 ZINC000931431404 640198783 /nfs/dbraw/zinc/19/87/83/640198783.db2.gz MPOCFUOUOITYON-CVEARBPZSA-N 2 1 244.382 2.113 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3ccccc3)C[C@@H]2C1 ZINC000931431404 640198786 /nfs/dbraw/zinc/19/87/86/640198786.db2.gz MPOCFUOUOITYON-CVEARBPZSA-N 2 1 244.382 2.113 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3ccccc3)C[C@@H]2C1 ZINC000931431404 640198790 /nfs/dbraw/zinc/19/87/90/640198790.db2.gz MPOCFUOUOITYON-CVEARBPZSA-N 2 1 244.382 2.113 20 0 BEADMP CC(C)SCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437204 640201877 /nfs/dbraw/zinc/20/18/77/640201877.db2.gz NGRNNSCHFWWQGM-QWHCGFSZSA-N 2 1 242.432 2.012 20 0 BEADMP CC(C)SCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931437204 640201882 /nfs/dbraw/zinc/20/18/82/640201882.db2.gz NGRNNSCHFWWQGM-QWHCGFSZSA-N 2 1 242.432 2.012 20 0 BEADMP CC(C)SCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931437204 640201887 /nfs/dbraw/zinc/20/18/87/640201887.db2.gz NGRNNSCHFWWQGM-QWHCGFSZSA-N 2 1 242.432 2.012 20 0 BEADMP CC(C)=CCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931441901 640204963 /nfs/dbraw/zinc/20/49/63/640204963.db2.gz QGHJYAXRPSGMRE-KGLIPLIRSA-N 2 1 222.376 2.226 20 0 BEADMP CC(C)=CCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931441901 640204970 /nfs/dbraw/zinc/20/49/70/640204970.db2.gz QGHJYAXRPSGMRE-KGLIPLIRSA-N 2 1 222.376 2.226 20 0 BEADMP CC(C)=CCC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931441901 640204976 /nfs/dbraw/zinc/20/49/76/640204976.db2.gz QGHJYAXRPSGMRE-KGLIPLIRSA-N 2 1 222.376 2.226 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CC4(CCC4)C3)C[C@@H]2C1 ZINC000931442325 640208704 /nfs/dbraw/zinc/20/87/04/640208704.db2.gz CCXGDAWMBTXALF-CABCVRRESA-N 2 1 248.414 2.450 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@@H]2C1 ZINC000931442325 640208708 /nfs/dbraw/zinc/20/87/08/640208708.db2.gz CCXGDAWMBTXALF-CABCVRRESA-N 2 1 248.414 2.450 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@@H]2C1 ZINC000931442325 640208713 /nfs/dbraw/zinc/20/87/13/640208713.db2.gz CCXGDAWMBTXALF-CABCVRRESA-N 2 1 248.414 2.450 20 0 BEADMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2CC1CC=CC1 ZINC000931718051 640337034 /nfs/dbraw/zinc/33/70/34/640337034.db2.gz IIEFEOQRJIWPMO-UONOGXRCSA-N 2 1 220.360 2.121 20 0 BEADMP C[C@@H](C1CC1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000931764334 640356772 /nfs/dbraw/zinc/35/67/72/640356772.db2.gz PTIKMRHNJDXJOM-OLZOCXBDSA-N 2 1 245.370 2.391 20 0 BEADMP C[NH2+]CCC[N@H+](C)Cc1cncc2ccccc21 ZINC000165083292 640533680 /nfs/dbraw/zinc/53/36/80/640533680.db2.gz VYRXPTOGLPZQTO-UHFFFAOYSA-N 2 1 243.354 2.276 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1cncc2ccccc21 ZINC000165083292 640533687 /nfs/dbraw/zinc/53/36/87/640533687.db2.gz VYRXPTOGLPZQTO-UHFFFAOYSA-N 2 1 243.354 2.276 20 0 BEADMP CCC[N@H+](Cc1cncs1)C1CC[NH2+]CC1 ZINC000166658063 640663801 /nfs/dbraw/zinc/66/38/01/640663801.db2.gz MLPMHKNDPSPYSV-UHFFFAOYSA-N 2 1 239.388 2.107 20 0 BEADMP CCC[N@@H+](Cc1cncs1)C1CC[NH2+]CC1 ZINC000166658063 640663806 /nfs/dbraw/zinc/66/38/06/640663806.db2.gz MLPMHKNDPSPYSV-UHFFFAOYSA-N 2 1 239.388 2.107 20 0 BEADMP C([C@H]1CCC[NH2+]1)[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000226592960 640779148 /nfs/dbraw/zinc/77/91/48/640779148.db2.gz UCWGHILVSQDEDU-XQQFMLRXSA-N 2 1 208.349 2.003 20 0 BEADMP CCOc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227055185 640811127 /nfs/dbraw/zinc/81/11/27/640811127.db2.gz VPOQJSALLOSYPS-GXTWGEPZSA-N 2 1 248.370 2.254 20 0 BEADMP CCOc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227055185 640811133 /nfs/dbraw/zinc/81/11/33/640811133.db2.gz VPOQJSALLOSYPS-GXTWGEPZSA-N 2 1 248.370 2.254 20 0 BEADMP C[C@@H](Cc1ccco1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000062771605 641089761 /nfs/dbraw/zinc/08/97/61/641089761.db2.gz KXPTZXVYHHUWCK-LBPRGKRZSA-N 2 1 248.370 2.427 20 0 BEADMP C[C@H](Cc1cccnc1)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000934233018 641109701 /nfs/dbraw/zinc/10/97/01/641109701.db2.gz HNJYTATYGRGVSK-HIFRSBDPSA-N 2 1 247.386 2.087 20 0 BEADMP C[C@@H]1CC=CC[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000934621000 641218113 /nfs/dbraw/zinc/21/81/13/641218113.db2.gz OHEBBIPKJBGJQK-MGPQQGTHSA-N 2 1 222.376 2.415 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@@H+](C)CCCCCC[NH3+] ZINC000723102355 711502355 /nfs/dbraw/zinc/50/23/55/711502355.db2.gz LGKKNHRIULYFKQ-OLZOCXBDSA-N 2 1 212.381 2.483 20 0 BEADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1CCCCCC[NH3+] ZINC000042452029 641551389 /nfs/dbraw/zinc/55/13/89/641551389.db2.gz VJAPJVZTJPQNLF-QWHCGFSZSA-N 2 1 228.380 2.005 20 0 BEADMP CC[C@H](C)C[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC000093066494 642455539 /nfs/dbraw/zinc/45/55/39/642455539.db2.gz KBXRDTDIEWVEPK-QWHCGFSZSA-N 2 1 212.381 2.354 20 0 BEADMP CC[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000233922408 642708692 /nfs/dbraw/zinc/70/86/92/642708692.db2.gz TZDNPELXSUSSRQ-MCIONIFRSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC2(C1)CCCCC2 ZINC000306071934 643288578 /nfs/dbraw/zinc/28/85/78/643288578.db2.gz WXGHWIAKFIILKH-KGLIPLIRSA-N 2 1 236.403 2.498 20 0 BEADMP [NH3+]C[C@@H]1CCCC[N@@H+]1CCc1cccs1 ZINC000082602400 643353799 /nfs/dbraw/zinc/35/37/99/643353799.db2.gz DDRNYQTWESOTCZ-NSHDSACASA-N 2 1 224.373 2.104 20 0 BEADMP [NH3+]C[C@@H]1CCCC[N@H+]1CCc1cccs1 ZINC000082602400 643353803 /nfs/dbraw/zinc/35/38/03/643353803.db2.gz DDRNYQTWESOTCZ-NSHDSACASA-N 2 1 224.373 2.104 20 0 BEADMP CC[C@H]1CC[C@@H](C)[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000234051202 643358145 /nfs/dbraw/zinc/35/81/45/643358145.db2.gz ZQPDWNWZPNJULC-NDBYEHHHSA-N 2 1 210.365 2.105 20 0 BEADMP C[NH+](C)[C@H](C[NH2+]C[C@@H]1CC=CCC1)C1CC1 ZINC000121038245 643440106 /nfs/dbraw/zinc/44/01/06/643440106.db2.gz XUGUQUMPOVNVCR-TZMCWYRMSA-N 2 1 222.376 2.273 20 0 BEADMP CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000083846977 643544160 /nfs/dbraw/zinc/54/41/60/643544160.db2.gz TXYHQSYULVNWHS-YHWZYXNKSA-N 2 1 210.365 2.391 20 0 BEADMP Cc1cc[nH+]c(N[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000050164247 643621656 /nfs/dbraw/zinc/62/16/56/643621656.db2.gz VWPBSXGPIPXPGQ-RYUDHWBXSA-N 2 1 219.332 2.190 20 0 BEADMP [NH3+]C[C@H]([NH2+]C1CCCC1)C1CCCCC1 ZINC000083762332 643623857 /nfs/dbraw/zinc/62/38/57/643623857.db2.gz ZKNYCMIZHLLFCY-ZDUSSCGKSA-N 2 1 210.365 2.426 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000084046558 643643361 /nfs/dbraw/zinc/64/33/61/643643361.db2.gz MXNKIBCQPHNFAG-NEPJUHHUSA-N 2 1 210.365 2.249 20 0 BEADMP Cl/C=C\C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000846220065 643651313 /nfs/dbraw/zinc/65/13/13/643651313.db2.gz ABCIQJUHVCROQD-NAFLWYGVSA-N 2 1 242.794 2.451 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CC[C@@H](C[NH3+])C2)c(C)c1 ZINC000050245256 643661534 /nfs/dbraw/zinc/66/15/34/643661534.db2.gz ZLLSVMOMWMXVQC-AWEZNQCLSA-N 2 1 232.371 2.392 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000085015935 643679070 /nfs/dbraw/zinc/67/90/70/643679070.db2.gz FZJVRFLNXRELIB-UPJWGTAASA-N 2 1 210.365 2.236 20 0 BEADMP CC1(C)CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000085016064 643680401 /nfs/dbraw/zinc/68/04/01/643680401.db2.gz PCZXLESGFBRRKZ-NEPJUHHUSA-N 2 1 210.365 2.236 20 0 BEADMP CCO[C@H](C[NH2+][C@H]1CCC[C@H](C)C1)C[NH+](C)C ZINC000922761802 644089554 /nfs/dbraw/zinc/08/95/54/644089554.db2.gz TZFCWZZJHLBEHW-MELADBBJSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@@H](C)C[N@@H+](CC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000086440174 644137451 /nfs/dbraw/zinc/13/74/51/644137451.db2.gz LPZOZHPUVBIUSX-UPJWGTAASA-N 2 1 212.381 2.482 20 0 BEADMP CCCCCC[C@H](O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000923280368 644313412 /nfs/dbraw/zinc/31/34/12/644313412.db2.gz XXYSSBZAICTRBA-AWEZNQCLSA-N 2 1 242.407 2.002 20 0 BEADMP CCCCCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000923282778 644318235 /nfs/dbraw/zinc/31/82/35/644318235.db2.gz XSFSMLKXOWFOLQ-ZIAGYGMSSA-N 2 1 242.407 2.131 20 0 BEADMP CCCCCC[C@@H](O)C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000923282778 644318241 /nfs/dbraw/zinc/31/82/41/644318241.db2.gz XSFSMLKXOWFOLQ-ZIAGYGMSSA-N 2 1 242.407 2.131 20 0 BEADMP C[C@@]1(C[NH3+])CC[N@@H+](CCc2cccc(F)c2)C1 ZINC000923355023 644371802 /nfs/dbraw/zinc/37/18/02/644371802.db2.gz DUQQDSRXFZCPNO-AWEZNQCLSA-N 2 1 236.334 2.039 20 0 BEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC1CCC3(CC3)CC1)C2 ZINC000923423310 644418415 /nfs/dbraw/zinc/41/84/15/644418415.db2.gz ANEAATKWYHOXTL-LSDHHAIUSA-N 2 1 248.414 2.498 20 0 BEADMP CC[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000084384846 644423367 /nfs/dbraw/zinc/42/33/67/644423367.db2.gz LSRKSKBSNXYOBT-OLZOCXBDSA-N 2 1 210.365 2.108 20 0 BEADMP CC(C)[C@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085016297 644434575 /nfs/dbraw/zinc/43/45/75/644434575.db2.gz MMDWAOAFCKDENK-FRRDWIJNSA-N 2 1 210.365 2.234 20 0 BEADMP C[C@H]1C[N@@H+](CC=C(Cl)Cl)CC[C@@H]1C[NH3+] ZINC000923488755 644466005 /nfs/dbraw/zinc/46/60/05/644466005.db2.gz GEDLVMKOTBXFLQ-DTWKUNHWSA-N 2 1 237.174 2.222 20 0 BEADMP [NH3+]CC[C@H]1CC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000923480691 644459477 /nfs/dbraw/zinc/45/94/77/644459477.db2.gz ZLRFWHRQACVXHC-RYUDHWBXSA-N 2 1 246.345 2.483 20 0 BEADMP C[C@H](c1ccccn1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495972 644461427 /nfs/dbraw/zinc/46/14/27/644461427.db2.gz FMHPLDUQRAEAKO-JHJVBQTASA-N 2 1 233.359 2.059 20 0 BEADMP C[C@@H]1C[N@@H+](CCC2CCC2)CC[C@H]1C[NH3+] ZINC000923488015 644463614 /nfs/dbraw/zinc/46/36/14/644463614.db2.gz CTMFUAXHURKRJK-YPMHNXCESA-N 2 1 210.365 2.093 20 0 BEADMP C[C@@H]1C[N@@H+](CCCC(C)(F)F)CC[C@@H]1C[NH3+] ZINC000923490512 644465907 /nfs/dbraw/zinc/46/59/07/644465907.db2.gz DFJJVZFHTRINEH-GHMZBOCLSA-N 2 1 234.334 2.339 20 0 BEADMP C[C@H]1C[N@@H+](CCCC2CCC2)CC[C@@H]1C[NH3+] ZINC000923489755 644466436 /nfs/dbraw/zinc/46/64/36/644466436.db2.gz KQXDVSBYSVDLAU-GXTWGEPZSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@H]1C[N@H+]([C@@H]2C[C@H]2C(C)(C)C)CC[C@H]1C[NH3+] ZINC000923493260 644467774 /nfs/dbraw/zinc/46/77/74/644467774.db2.gz QZUBRFLZITWPMW-WUHRBBMRSA-N 2 1 224.392 2.338 20 0 BEADMP C[C@@H]1C[N@@H+](CCc2cccs2)CC[C@@H]1C[NH3+] ZINC000923497852 644473280 /nfs/dbraw/zinc/47/32/80/644473280.db2.gz MTEMXQLBVYMSRT-VXGBXAGGSA-N 2 1 238.400 2.207 20 0 BEADMP C[C@@H](c1cccnc1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501293 644474850 /nfs/dbraw/zinc/47/48/50/644474850.db2.gz PYLHVKMNDQBUGI-AGIUHOORSA-N 2 1 233.359 2.059 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CC[C@@H]1C[NH3+] ZINC000923503678 644478243 /nfs/dbraw/zinc/47/82/43/644478243.db2.gz KTUJCNZISMZDIP-DGCLKSJQSA-N 2 1 236.334 2.242 20 0 BEADMP C[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517634 644479888 /nfs/dbraw/zinc/47/98/88/644479888.db2.gz GCOQTRXNNOHOSO-KWCYVHTRSA-N 2 1 248.345 2.428 20 0 BEADMP c1ccc([C@@H]2C[C@H]2[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923515609 644480278 /nfs/dbraw/zinc/48/02/78/644480278.db2.gz IJRQFGTUUUPCHL-XUWVNRHRSA-N 2 1 242.366 2.084 20 0 BEADMP C[C@H](c1ccccc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519732 644482897 /nfs/dbraw/zinc/48/28/97/644482897.db2.gz HBBZAEJCEGHSDR-VHDGCEQUSA-N 2 1 230.355 2.289 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518952 644483804 /nfs/dbraw/zinc/48/38/04/644483804.db2.gz HIWPOJOMFQZTPR-CBBWQLFWSA-N 2 1 236.403 2.354 20 0 BEADMP C(C[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1)[C@@H]1CC[NH2+]C1 ZINC000923526932 644484479 /nfs/dbraw/zinc/48/44/79/644484479.db2.gz WECWJRPAJNQXMH-APHBMKBZSA-N 2 1 248.414 2.497 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000923525939 644485220 /nfs/dbraw/zinc/48/52/20/644485220.db2.gz LNHRRKLTLXSFGL-BQDHKBFISA-N 2 1 248.414 2.352 20 0 BEADMP C(CC1CC1)C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530594 644487058 /nfs/dbraw/zinc/48/70/58/644487058.db2.gz JZAXFNNYAHEROK-AWEZNQCLSA-N 2 1 222.376 2.395 20 0 BEADMP C(CC1CC1)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530594 644487062 /nfs/dbraw/zinc/48/70/62/644487062.db2.gz JZAXFNNYAHEROK-AWEZNQCLSA-N 2 1 222.376 2.395 20 0 BEADMP C[C@H](Cc1ccco1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250981187 644788405 /nfs/dbraw/zinc/78/84/05/644788405.db2.gz IXQPFNUDQZJJIQ-MCIONIFRSA-N 2 1 248.370 2.427 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000251258883 644799509 /nfs/dbraw/zinc/79/95/09/644799509.db2.gz CNTOGWRHJYPMPP-RWMBFGLXSA-N 2 1 212.381 2.339 20 0 BEADMP C[C@@H]1CC[C@@H](C)[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000251849012 644827240 /nfs/dbraw/zinc/82/72/40/644827240.db2.gz OURFWNYDKLTFAK-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000251944576 644832648 /nfs/dbraw/zinc/83/26/48/644832648.db2.gz WFQNINHMWRBAKM-MQYQWHSLSA-N 2 1 224.392 2.352 20 0 BEADMP CC[N@@H+]1CCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC000096904744 644849083 /nfs/dbraw/zinc/84/90/83/644849083.db2.gz ZDHRNANXRMTENY-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CC[N@H+]1CCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC000096904744 644849085 /nfs/dbraw/zinc/84/90/85/644849085.db2.gz ZDHRNANXRMTENY-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CSCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703300 644885754 /nfs/dbraw/zinc/88/57/54/644885754.db2.gz RONSUOKOILJVQF-AVGNSLFASA-N 2 1 242.432 2.344 20 0 BEADMP C(CC1CCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252730992 644891872 /nfs/dbraw/zinc/89/18/72/644891872.db2.gz NVQOWWBZIZOMPD-KGLIPLIRSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@H]1CC[N@@H+](Cc2ccsc2)C[C@H]1C[NH3+] ZINC000253200967 644944258 /nfs/dbraw/zinc/94/42/58/644944258.db2.gz XKBUNVDUFAERAO-CMPLNLGQSA-N 2 1 224.373 2.165 20 0 BEADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCCC2(CCCC2)C1 ZINC000843389199 645287864 /nfs/dbraw/zinc/28/78/64/645287864.db2.gz RTPDJXKGRYLPIP-CYBMUJFWSA-N 2 1 222.376 2.252 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000844924458 645349988 /nfs/dbraw/zinc/34/99/88/645349988.db2.gz QPKSEDFIDKUDGI-NOOOWODRSA-N 2 1 248.773 2.279 20 0 BEADMP CCO[C@H](C[NH2+][C@H]1CCC(C)(C)C1)C[NH+](C)C ZINC000926963905 645501203 /nfs/dbraw/zinc/50/12/03/645501203.db2.gz VUANBVYXTFHPQG-QWHCGFSZSA-N 2 1 242.407 2.121 20 0 BEADMP c1ccc2c(c1)C[C@H]2C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925493476 645715813 /nfs/dbraw/zinc/71/58/13/645715813.db2.gz XVGGQFXDKHBVSR-DZGCQCFKSA-N 2 1 242.366 2.201 20 0 BEADMP CCCC[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925493800 645718982 /nfs/dbraw/zinc/71/89/82/645718982.db2.gz LZIFZXZZUYEHAZ-DGCLKSJQSA-N 2 1 206.333 2.465 20 0 BEADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccccc1 ZINC000925483299 646294172 /nfs/dbraw/zinc/29/41/72/646294172.db2.gz YMNJWTKYBKNDMK-XWUBHJNHSA-N 2 1 218.344 2.321 20 0 BEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000925488231 646300355 /nfs/dbraw/zinc/30/03/55/646300355.db2.gz IOKDZOSDAUIWGJ-CYBMUJFWSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@H]([NH3+])[C@H]([NH2+]CC1CC1)c1ccccc1 ZINC000925535981 646322144 /nfs/dbraw/zinc/32/21/44/646322144.db2.gz MURQPEHPFIOIDI-GWCFXTLKSA-N 2 1 204.317 2.075 20 0 BEADMP Cc1cccc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000925548551 646327436 /nfs/dbraw/zinc/32/74/36/646327436.db2.gz SFUVAUOODHIWFB-HNNXBMFYSA-N 2 1 244.382 2.412 20 0 BEADMP CO[C@H](C)CCN[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925565431 646337215 /nfs/dbraw/zinc/33/72/15/646337215.db2.gz RBELTDUJQACHDT-MBNYWOFBSA-N 2 1 236.359 2.090 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000929847669 646358198 /nfs/dbraw/zinc/35/81/98/646358198.db2.gz NAJZWNJBDDSNHV-CBBWQLFWSA-N 2 1 236.403 2.449 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000929847669 646358204 /nfs/dbraw/zinc/35/82/04/646358204.db2.gz NAJZWNJBDDSNHV-CBBWQLFWSA-N 2 1 236.403 2.449 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000929847669 646358210 /nfs/dbraw/zinc/35/82/10/646358210.db2.gz NAJZWNJBDDSNHV-CBBWQLFWSA-N 2 1 236.403 2.449 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC12CCC(CC1)C2 ZINC000925624749 646370260 /nfs/dbraw/zinc/37/02/60/646370260.db2.gz BDHUVYZRFOTMFO-ZIHBUVQPSA-N 2 1 222.376 2.297 20 0 BEADMP CC(C)CSCCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925626334 646371073 /nfs/dbraw/zinc/37/10/73/646371073.db2.gz QAWCZNNFAGVOFF-OLZOCXBDSA-N 2 1 244.448 2.496 20 0 BEADMP CC(C)CSCCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925626333 646371491 /nfs/dbraw/zinc/37/14/91/646371491.db2.gz QAWCZNNFAGVOFF-CHWSQXEVSA-N 2 1 244.448 2.496 20 0 BEADMP CS[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)C(C)(C)C ZINC000925637742 646379582 /nfs/dbraw/zinc/37/95/82/646379582.db2.gz QWPBZPVLUFSIRP-QJPTWQEYSA-N 2 1 244.448 2.494 20 0 BEADMP Cc1cccc(CCC[NH2+][C@@H]2CC[NH2+]C2(C)C)n1 ZINC000925666345 646398418 /nfs/dbraw/zinc/39/84/18/646398418.db2.gz RSQMUOQECMOMIQ-CQSZACIVSA-N 2 1 247.386 2.053 20 0 BEADMP C[C@H]([NH3+])[C@H]([NH2+]CCCCF)c1ccccc1 ZINC000925677324 646405794 /nfs/dbraw/zinc/40/57/94/646405794.db2.gz SYMKYRLXYSWNOA-AAEUAGOBSA-N 2 1 224.323 2.414 20 0 BEADMP CCC[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)OC ZINC000925679667 646406526 /nfs/dbraw/zinc/40/65/26/646406526.db2.gz KMYUDHQXVALUHU-QWHCGFSZSA-N 2 1 240.391 2.066 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925695961 646421574 /nfs/dbraw/zinc/42/15/74/646421574.db2.gz RWCMUPXQKQHTJL-UTUOFQBUSA-N 2 1 210.365 2.151 20 0 BEADMP C1[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)[C@@H]1C1CCC1 ZINC000925704145 646429186 /nfs/dbraw/zinc/42/91/86/646429186.db2.gz IJXOFMZNEYUYCW-YNEHKIRRSA-N 2 1 220.360 2.049 20 0 BEADMP CCC[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)OCC ZINC000925724024 646449944 /nfs/dbraw/zinc/44/99/44/646449944.db2.gz VRNYRNQJEOZAEL-OLZOCXBDSA-N 2 1 240.391 2.066 20 0 BEADMP CCC[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)OCC ZINC000925724025 646450380 /nfs/dbraw/zinc/45/03/80/646450380.db2.gz VRNYRNQJEOZAEL-QWHCGFSZSA-N 2 1 240.391 2.066 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)CC(F)F ZINC000925733915 646458595 /nfs/dbraw/zinc/45/85/95/646458595.db2.gz MZJOWAQCRCWMTA-UWVGGRQHSA-N 2 1 234.334 2.255 20 0 BEADMP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c(Cl)n1 ZINC000925763833 646466642 /nfs/dbraw/zinc/46/66/42/646466642.db2.gz FGFMWAYPQZJQHD-WCBMZHEXSA-N 2 1 241.766 2.259 20 0 BEADMP CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925782816 646479356 /nfs/dbraw/zinc/47/93/56/646479356.db2.gz ARNLUHDZNWXLST-DYEKYZERSA-N 2 1 247.386 2.150 20 0 BEADMP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccco1 ZINC000925844143 646508654 /nfs/dbraw/zinc/50/86/54/646508654.db2.gz WGMAPFYNVLOJFX-MRVWCRGKSA-N 2 1 234.343 2.462 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)CCS1 ZINC000925855537 646510741 /nfs/dbraw/zinc/51/07/41/646510741.db2.gz CQBYPLJGHDSAMS-KKOKHZNYSA-N 2 1 228.405 2.001 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC12CCCC2 ZINC000926284491 646611755 /nfs/dbraw/zinc/61/17/55/646611755.db2.gz LYKUTIWGPKTACH-RBKKPWLPSA-N 2 1 234.387 2.249 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(SC)C1 ZINC000926417898 646632973 /nfs/dbraw/zinc/63/29/73/646632973.db2.gz IMJSTNSHXRSOQW-CPCZMJQVSA-N 2 1 242.432 2.344 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CC(SC)C1 ZINC000926417898 646632976 /nfs/dbraw/zinc/63/29/76/646632976.db2.gz IMJSTNSHXRSOQW-CPCZMJQVSA-N 2 1 242.432 2.344 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)s1 ZINC000723711799 711535783 /nfs/dbraw/zinc/53/57/83/711535783.db2.gz JCWLXFRARKVRSB-LLVKDONJSA-N 2 1 224.373 2.227 20 0 BEADMP Cc1cc(C)nc(C[N@@H+](C)CC(C)(C)C[NH3+])c1 ZINC000723877176 711541703 /nfs/dbraw/zinc/54/17/03/711541703.db2.gz RCCCCKKHFPBLSE-UHFFFAOYSA-N 2 1 235.375 2.115 20 0 BEADMP Cc1cc(C)nc(C[N@H+](C)CC(C)(C)C[NH3+])c1 ZINC000723877176 711541705 /nfs/dbraw/zinc/54/17/05/711541705.db2.gz RCCCCKKHFPBLSE-UHFFFAOYSA-N 2 1 235.375 2.115 20 0 BEADMP C[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)[C@@H]1C ZINC000393728921 711676836 /nfs/dbraw/zinc/67/68/36/711676836.db2.gz LHLGKFPIHFQZRU-BBBLOLIVSA-N 2 1 220.307 2.089 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@@H]1C ZINC000393728921 711676838 /nfs/dbraw/zinc/67/68/38/711676838.db2.gz LHLGKFPIHFQZRU-BBBLOLIVSA-N 2 1 220.307 2.089 20 0 BEADMP C[N@@H+](C[C@H]1CCCC[NH2+]C1)C1CCCC1 ZINC000700256731 711989221 /nfs/dbraw/zinc/98/92/21/711989221.db2.gz JHHDFOUQTFRSII-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@]1(C[N@H+]2CCCC(F)(F)CC2)CCC[NH2+]C1 ZINC000702804242 712061618 /nfs/dbraw/zinc/06/16/18/712061618.db2.gz FHLOZJFADWAMBS-GFCCVEGCSA-N 2 1 246.345 2.497 20 0 BEADMP C[C@@H](C[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1)C(C)(C)C ZINC000703441031 712075398 /nfs/dbraw/zinc/07/53/98/712075398.db2.gz ZAXINSMIMCYVSX-SDDRHHMPSA-N 2 1 212.381 2.338 20 0 BEADMP C[C@H](CC1CCC1)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000710303317 712251121 /nfs/dbraw/zinc/25/11/21/712251121.db2.gz LLFULKYSPCUVSN-SCZZXKLOSA-N 2 1 220.307 2.137 20 0 BEADMP C[C@@H]1CC[C@@H](C[N@@H+](C)CCCCCC[NH3+])O1 ZINC000710749647 712255611 /nfs/dbraw/zinc/25/56/11/712255611.db2.gz IZTPWNCMKOAYQK-OLZOCXBDSA-N 2 1 228.380 2.005 20 0 BEADMP FC[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000711444741 712300614 /nfs/dbraw/zinc/30/06/14/712300614.db2.gz VCDZQDPCDNWGMF-AWEZNQCLSA-N 2 1 242.382 2.448 20 0 BEADMP C(CC1CC1)C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713240758 712456211 /nfs/dbraw/zinc/45/62/11/712456211.db2.gz DKUJPUSEHMOZFE-UHFFFAOYSA-N 2 1 222.376 2.395 20 0 BEADMP C=C/C=C/CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000713759887 712472085 /nfs/dbraw/zinc/47/20/85/712472085.db2.gz UHQQLJCLYXIYPE-LSMGEYOZSA-N 2 1 220.360 2.193 20 0 BEADMP C=C/C=C/CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000713759887 712472087 /nfs/dbraw/zinc/47/20/87/712472087.db2.gz UHQQLJCLYXIYPE-LSMGEYOZSA-N 2 1 220.360 2.193 20 0 BEADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC000714375219 712484446 /nfs/dbraw/zinc/48/44/46/712484446.db2.gz SEHQGDIAUYSEIS-JSGCOSHPSA-N 2 1 240.391 2.005 20 0 BEADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)C(C)C ZINC000037484319 712650713 /nfs/dbraw/zinc/65/07/13/712650713.db2.gz VKYVUPSRQKSDCK-CHWSQXEVSA-N 2 1 212.381 2.352 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)C(C)C ZINC000037484316 712650743 /nfs/dbraw/zinc/65/07/43/712650743.db2.gz VKYVUPSRQKSDCK-STQMWFEESA-N 2 1 212.381 2.352 20 0 BEADMP CC[C@H](C[NH2+][C@H]1CC[C@H]1C)[NH+]1CCCC1 ZINC000379999680 712651628 /nfs/dbraw/zinc/65/16/28/712651628.db2.gz LYDIHPXVSUMMQO-UPJWGTAASA-N 2 1 210.365 2.249 20 0 BEADMP CCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000389566977 712689565 /nfs/dbraw/zinc/68/95/65/712689565.db2.gz AINDVNALZLHTGO-OLZOCXBDSA-N 2 1 210.365 2.251 20 0 BEADMP CC[C@H]1[C@H](C)CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717936752 712734853 /nfs/dbraw/zinc/73/48/53/712734853.db2.gz ZADJYYRMRJDQRX-NDBYEHHHSA-N 2 1 210.365 2.234 20 0 BEADMP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000718784913 712782812 /nfs/dbraw/zinc/78/28/12/712782812.db2.gz AUBDRELWYYCRNJ-GXTWGEPZSA-N 2 1 240.391 2.018 20 0 BEADMP CCCCCC[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000720902203 712875989 /nfs/dbraw/zinc/87/59/89/712875989.db2.gz DVRFOCVNVHJZCV-OLZOCXBDSA-N 2 1 210.365 2.393 20 0 BEADMP CCCCCC[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000720902203 712875992 /nfs/dbraw/zinc/87/59/92/712875992.db2.gz DVRFOCVNVHJZCV-OLZOCXBDSA-N 2 1 210.365 2.393 20 0 BEADMP CCC(CC)C[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000720905478 712876706 /nfs/dbraw/zinc/87/67/06/712876706.db2.gz YVLJQBCAOGWBMU-CHWSQXEVSA-N 2 1 210.365 2.249 20 0 BEADMP C1=CC[C@@H]2C[N@H+](CCC[NH2+]C3CC3)C[C@@H]2C1 ZINC000381614858 710661832 /nfs/dbraw/zinc/66/18/32/710661832.db2.gz URVWAQSHSTWCON-BETUJISGSA-N 2 1 220.360 2.027 20 0 BEADMP C[C@@]1(C[N@H+]2CCC3(CCC3)C2)CCC[NH2+]C1 ZINC000380534488 712901227 /nfs/dbraw/zinc/90/12/27/712901227.db2.gz NAWZWCAYTRBMFD-CYBMUJFWSA-N 2 1 222.376 2.252 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000723122323 710726414 /nfs/dbraw/zinc/72/64/14/710726414.db2.gz OPFPFUQLTAPWHT-RNJOBUHISA-N 2 1 210.365 2.092 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1CC[NH3+] ZINC000723909223 710734660 /nfs/dbraw/zinc/73/46/60/710734660.db2.gz NVOGTBORLXZZSY-DGCLKSJQSA-N 2 1 236.334 2.242 20 0 BEADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1CCC1)C2 ZINC000903116535 710892695 /nfs/dbraw/zinc/89/26/95/710892695.db2.gz BCZQVRADKOYUFR-QXMXGUDHSA-N 2 1 220.360 2.286 20 0 BEADMP CC[C@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)CCS1 ZINC000133049643 710968625 /nfs/dbraw/zinc/96/86/25/710968625.db2.gz AJRWQTOQBFZSTE-QWHCGFSZSA-N 2 1 242.432 2.204 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000380723803 712902761 /nfs/dbraw/zinc/90/27/61/712902761.db2.gz OZAKLGRPFRRQMX-YIYPIFLZSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000380723803 712902762 /nfs/dbraw/zinc/90/27/62/712902762.db2.gz OZAKLGRPFRRQMX-YIYPIFLZSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)[NH+]1CCC([NH2+]C/C=C/Cl)CC1 ZINC000387393611 711042241 /nfs/dbraw/zinc/04/22/41/711042241.db2.gz JQXJFRRZVIKDGB-ZZXKWVIFSA-N 2 1 216.756 2.201 20 0 BEADMP C[N@@H+](CCCCCF)C1CCC([NH3+])CC1 ZINC000389370861 711077424 /nfs/dbraw/zinc/07/74/24/711077424.db2.gz LESLDKXCCNTBFH-UHFFFAOYSA-N 2 1 216.344 2.328 20 0 BEADMP CCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000389566975 711080184 /nfs/dbraw/zinc/08/01/84/711080184.db2.gz AINDVNALZLHTGO-CHWSQXEVSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCC(C)(F)F ZINC000390075492 711104646 /nfs/dbraw/zinc/10/46/46/711104646.db2.gz SMNJGKDMCGNMTO-ZJUUUORDSA-N 2 1 220.307 2.233 20 0 BEADMP CCC1(CC)CC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000390099493 711106551 /nfs/dbraw/zinc/10/65/51/711106551.db2.gz ONQPRYGVWLANTL-SNVBAGLBSA-N 2 1 234.334 2.481 20 0 BEADMP CCC1(CC)CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000390099493 711106554 /nfs/dbraw/zinc/10/65/54/711106554.db2.gz ONQPRYGVWLANTL-SNVBAGLBSA-N 2 1 234.334 2.481 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000392249314 711143838 /nfs/dbraw/zinc/14/38/38/711143838.db2.gz UCBAKWCEUFXHQO-ZALBZXLWSA-N 2 1 234.387 2.417 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]1C ZINC000393604697 711165256 /nfs/dbraw/zinc/16/52/56/711165256.db2.gz CHSCZDAYULEIEB-FRRDWIJNSA-N 2 1 210.365 2.249 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]1C ZINC000393604697 711165257 /nfs/dbraw/zinc/16/52/57/711165257.db2.gz CHSCZDAYULEIEB-FRRDWIJNSA-N 2 1 210.365 2.249 20 0 BEADMP Cc1ccsc1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000393947303 711180542 /nfs/dbraw/zinc/18/05/42/711180542.db2.gz FJNOWJCNJQXFTD-FUVSOYRFSA-N 2 1 248.395 2.143 20 0 BEADMP CSCCCCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396576279 711353060 /nfs/dbraw/zinc/35/30/60/711353060.db2.gz NCGAJQVFNDPHGC-RYUDHWBXSA-N 2 1 230.421 2.250 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000396564321 711355246 /nfs/dbraw/zinc/35/52/46/711355246.db2.gz UZCMVLIBFLMCEQ-CORIIIEPSA-N 2 1 230.355 2.056 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CC12CCCC2 ZINC000396589144 711356656 /nfs/dbraw/zinc/35/66/56/711356656.db2.gz BLYKYBIXJRVIBE-SRVKXCTJSA-N 2 1 208.349 2.049 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000396644423 711357577 /nfs/dbraw/zinc/35/75/77/711357577.db2.gz BVFVVPSUNLZGTG-YNEHKIRRSA-N 2 1 208.349 2.073 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000396601524 711358514 /nfs/dbraw/zinc/35/85/14/711358514.db2.gz XPNMONIIVIRJJS-QJPTWQEYSA-N 2 1 228.405 2.002 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000396726038 711369147 /nfs/dbraw/zinc/36/91/47/711369147.db2.gz WDNQANXTSQJNOB-QMTHXVAHSA-N 2 1 222.376 2.153 20 0 BEADMP CC[C@H]1C[C@@H](C)C[N@H+]1CCC[NH2+]C1CC1 ZINC000399137197 711420713 /nfs/dbraw/zinc/42/07/13/711420713.db2.gz XPEFBDVWXYJPFC-YPMHNXCESA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@@H]1[C@@H](C)CC[N@H+]1CCC[NH2+]C1CC1 ZINC000383629485 710985049 /nfs/dbraw/zinc/98/50/49/710985049.db2.gz VPBUXESKMDTAMC-WCQYABFASA-N 2 1 210.365 2.249 20 0 BEADMP CSC(C)(C)CC[NH2+]C1CC[NH+](C)CC1 ZINC000385287496 711009414 /nfs/dbraw/zinc/00/94/14/711009414.db2.gz HTJFGXJVZKLYMH-UHFFFAOYSA-N 2 1 230.421 2.202 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCC2CC2)C1 ZINC000394481658 711194177 /nfs/dbraw/zinc/19/41/77/711194177.db2.gz DVLCNDLIHKUDQG-ZDUSSCGKSA-N 2 1 210.365 2.108 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCC3CC3)C[C@H]21 ZINC000394594337 711194762 /nfs/dbraw/zinc/19/47/62/711194762.db2.gz GCIREFZQGXBDIT-BFHYXJOUSA-N 2 1 222.376 2.236 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCCC2CC2)C1 ZINC000394570133 711195323 /nfs/dbraw/zinc/19/53/23/711195323.db2.gz PQGKZNXIUAZUQK-DGCLKSJQSA-N 2 1 210.365 2.236 20 0 BEADMP CC(C)C[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000396756558 711368902 /nfs/dbraw/zinc/36/89/02/711368902.db2.gz BVEFMKYVMQDHSS-RDBSUJKOSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](CCCC2CC2)C[C@@H]1C[NH3+] ZINC000397476383 711384376 /nfs/dbraw/zinc/38/43/76/711384376.db2.gz HFQJAQPCDHNTBE-DYEKYZERSA-N 2 1 224.392 2.482 20 0 BEADMP CO[C@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000382366502 711503495 /nfs/dbraw/zinc/50/34/95/711503495.db2.gz XZADMMOQHNPRKP-DZGCQCFKSA-N 2 1 248.370 2.045 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCC2(CC2)C1 ZINC000723569189 711518345 /nfs/dbraw/zinc/51/83/45/711518345.db2.gz OUGHEAKOBDRGGX-LBPRGKRZSA-N 2 1 233.359 2.275 20 0 BEADMP CCOc1ccccc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723669045 711533195 /nfs/dbraw/zinc/53/31/95/711533195.db2.gz FJSJYSWVDNVTLT-ZDUSSCGKSA-N 2 1 248.370 2.256 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C)cc(C)n2)C1 ZINC000723846783 711539028 /nfs/dbraw/zinc/53/90/28/711539028.db2.gz YYYYYAFAZAKICR-AWEZNQCLSA-N 2 1 247.386 2.130 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(C)cc(C)n2)C1 ZINC000723846783 711539030 /nfs/dbraw/zinc/53/90/30/711539030.db2.gz YYYYYAFAZAKICR-AWEZNQCLSA-N 2 1 247.386 2.130 20 0 BEADMP C[C@H](c1ccncc1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723890790 711544318 /nfs/dbraw/zinc/54/43/18/711544318.db2.gz IGELBUWASAUJSH-YRGRVCCFSA-N 2 1 233.359 2.059 20 0 BEADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723899549 711544602 /nfs/dbraw/zinc/54/46/02/711544602.db2.gz DNZVUCPYIOSNMA-CHWSQXEVSA-N 2 1 212.381 2.483 20 0 BEADMP C[C@@H]1C[N@@H+](CC2(C)CCC2)C[C@H]1CC[NH3+] ZINC000723902410 711544778 /nfs/dbraw/zinc/54/47/78/711544778.db2.gz XEGKEYWTRMDQLV-VXGBXAGGSA-N 2 1 210.365 2.093 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1CC[NH3+] ZINC000723901923 711544926 /nfs/dbraw/zinc/54/49/26/711544926.db2.gz TXXKJJQBNPDTHY-DGCLKSJQSA-N 2 1 210.365 2.093 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1CC[NH3+] ZINC000723907382 711545084 /nfs/dbraw/zinc/54/50/84/711545084.db2.gz AYNMZDSQCHOCDA-ZYHUDNBSSA-N 2 1 224.373 2.165 20 0 BEADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)oc1C ZINC000925783081 711749534 /nfs/dbraw/zinc/74/95/34/711749534.db2.gz BUWYGTXCOXJKTM-MDZLAQPJSA-N 2 1 236.359 2.403 20 0 BEADMP CC(C)OC[C@@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000337340789 711774708 /nfs/dbraw/zinc/77/47/08/711774708.db2.gz PSRDNUNGASUZIF-RDBSUJKOSA-N 2 1 240.391 2.016 20 0 BEADMP CC(C)OC[C@@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000337340789 711774711 /nfs/dbraw/zinc/77/47/11/711774711.db2.gz PSRDNUNGASUZIF-RDBSUJKOSA-N 2 1 240.391 2.016 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000160042679 711775642 /nfs/dbraw/zinc/77/56/42/711775642.db2.gz AZHVIAQPDDHXMT-CYBMUJFWSA-N 2 1 218.344 2.166 20 0 BEADMP C[C@@]1(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)CCC[NH2+]C1 ZINC000382942933 711834562 /nfs/dbraw/zinc/83/45/62/711834562.db2.gz JOESDMIVUSTGTC-QLFBSQMISA-N 2 1 234.387 2.274 20 0 BEADMP C1CC1[NH+]1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000061587992 711839021 /nfs/dbraw/zinc/83/90/21/711839021.db2.gz IHZOQYDGNLOJEI-GFCCVEGCSA-N 2 1 240.416 2.098 20 0 BEADMP COC[C@H](C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)C(C)C ZINC000721959945 711948456 /nfs/dbraw/zinc/94/84/56/711948456.db2.gz IVTUIRIOILTHJF-UONOGXRCSA-N 2 1 244.423 2.210 20 0 BEADMP CCC[N@@H+](CC1CC1)C[C@H]1CCCC[NH2+]C1 ZINC000700235677 711988539 /nfs/dbraw/zinc/98/85/39/711988539.db2.gz CTEPTHAEBCGXGR-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP CCC[C@H](C)[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000700256315 711989176 /nfs/dbraw/zinc/98/91/76/711989176.db2.gz GADDYEBBHZIUJL-STQMWFEESA-N 2 1 212.381 2.497 20 0 BEADMP CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000700256313 711989317 /nfs/dbraw/zinc/98/93/17/711989317.db2.gz GADDYEBBHZIUJL-OLZOCXBDSA-N 2 1 212.381 2.497 20 0 BEADMP CSCC[C@H](C)[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000700402474 711992028 /nfs/dbraw/zinc/99/20/28/711992028.db2.gz CFZNAAFXTJZHGK-QWHCGFSZSA-N 2 1 244.448 2.450 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC000702008780 712036818 /nfs/dbraw/zinc/03/68/18/712036818.db2.gz VXIFKFRMZGZRHN-PWSUYJOCSA-N 2 1 210.365 2.153 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C2(Cl)CC2)C1 ZINC000702253980 712041433 /nfs/dbraw/zinc/04/14/33/712041433.db2.gz BGIQPIHZUGOVRB-WDEREUQCSA-N 2 1 230.783 2.078 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C2(Cl)CC2)C1 ZINC000702253976 712041889 /nfs/dbraw/zinc/04/18/89/712041889.db2.gz BGIQPIHZUGOVRB-QWRGUYRKSA-N 2 1 230.783 2.078 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)C1(Cl)CC1 ZINC000702361966 712048653 /nfs/dbraw/zinc/04/86/53/712048653.db2.gz VWJPXGZKYWXBCE-NSHDSACASA-N 2 1 232.799 2.466 20 0 BEADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000703040158 712066008 /nfs/dbraw/zinc/06/60/08/712066008.db2.gz INVNAJJLEKJAAD-YUSLTOFOSA-N 2 1 222.376 2.377 20 0 BEADMP CCc1ccccc1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703589778 712079878 /nfs/dbraw/zinc/07/98/78/712079878.db2.gz RVMNCULYONJGNH-JKSUJKDBSA-N 2 1 244.382 2.290 20 0 BEADMP CCc1ccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000703596369 712080331 /nfs/dbraw/zinc/08/03/31/712080331.db2.gz PLOZVSPWFUGRKA-JKSUJKDBSA-N 2 1 244.382 2.290 20 0 BEADMP C[C@H](c1ccccc1F)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703603179 712082285 /nfs/dbraw/zinc/08/22/85/712082285.db2.gz QTVWATMJGSSTBI-TYNCELHUSA-N 2 1 248.345 2.428 20 0 BEADMP C[C@H](c1ccccc1F)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703603179 712082286 /nfs/dbraw/zinc/08/22/86/712082286.db2.gz QTVWATMJGSSTBI-TYNCELHUSA-N 2 1 248.345 2.428 20 0 BEADMP FC1(F)CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000705778103 712137162 /nfs/dbraw/zinc/13/71/62/712137162.db2.gz IESPMSQIPFJEIO-LBPRGKRZSA-N 2 1 246.345 2.497 20 0 BEADMP C[NH2+]CC[N@H+](C)C[C@H](C)CC(C)(C)C ZINC000708272031 712185070 /nfs/dbraw/zinc/18/50/70/712185070.db2.gz AABCKWBYAYYSNH-LLVKDONJSA-N 2 1 200.370 2.210 20 0 BEADMP CSC1CC([NH2+]CCCn2cc[nH+]c2C)C1 ZINC000708311798 712186205 /nfs/dbraw/zinc/18/62/05/712186205.db2.gz FQHPJSYUBBTXRM-UHFFFAOYSA-N 2 1 239.388 2.065 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC000708334757 712188493 /nfs/dbraw/zinc/18/84/93/712188493.db2.gz AHFNBHAANXHZAI-STQMWFEESA-N 2 1 242.407 2.107 20 0 BEADMP CCC[C@@H]1CCC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000708440362 712195191 /nfs/dbraw/zinc/19/51/91/712195191.db2.gz JXVRJFXEUNEQRW-GHMZBOCLSA-N 2 1 234.334 2.481 20 0 BEADMP CCC[C@@H]1CCC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000708440362 712195193 /nfs/dbraw/zinc/19/51/93/712195193.db2.gz JXVRJFXEUNEQRW-GHMZBOCLSA-N 2 1 234.334 2.481 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])CCc1nccs1 ZINC000708457185 712195210 /nfs/dbraw/zinc/19/52/10/712195210.db2.gz ILBSTHCGHNWPMJ-UHFFFAOYSA-N 2 1 241.404 2.137 20 0 BEADMP CC(C)(C)[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000708442346 712195244 /nfs/dbraw/zinc/19/52/44/712195244.db2.gz OXNRMGJIBVHLLR-UPJWGTAASA-N 2 1 224.392 2.482 20 0 BEADMP CCC[C@H]1C[N@@H+](CCCCCC[NH3+])CCO1 ZINC000708921878 712203372 /nfs/dbraw/zinc/20/33/72/712203372.db2.gz HNJGAYJXDVKMET-ZDUSSCGKSA-N 2 1 228.380 2.006 20 0 BEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCc1ccccc1)C2 ZINC000709835802 712229451 /nfs/dbraw/zinc/22/94/51/712229451.db2.gz LVORWJBLWHUUOT-KKUMJFAQSA-N 2 1 230.355 2.041 20 0 BEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCC1CCC1)C2 ZINC000709871476 712230472 /nfs/dbraw/zinc/23/04/72/712230472.db2.gz NCSOHPNHDYUAMD-MJBXVCDLSA-N 2 1 222.376 2.378 20 0 BEADMP C[NH2+][C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC000709994885 712238956 /nfs/dbraw/zinc/23/89/56/712238956.db2.gz BBEGETYXIOWLLF-ZDUSSCGKSA-N 2 1 222.376 2.251 20 0 BEADMP C[NH2+][C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000709994885 712238957 /nfs/dbraw/zinc/23/89/57/712238957.db2.gz BBEGETYXIOWLLF-ZDUSSCGKSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H]1CC[C@H](C[N@@H+](C)CCCCCC[NH3+])O1 ZINC000710749646 712255250 /nfs/dbraw/zinc/25/52/50/712255250.db2.gz IZTPWNCMKOAYQK-CHWSQXEVSA-N 2 1 228.380 2.005 20 0 BEADMP Cc1noc(C)c1C[N@@H+](C)CCCCCC[NH3+] ZINC000710715076 712255326 /nfs/dbraw/zinc/25/53/26/712255326.db2.gz YBPVZGJUUINVON-UHFFFAOYSA-N 2 1 239.363 2.242 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C=CCC2)CC[N@H+]1C ZINC000711666893 712318589 /nfs/dbraw/zinc/31/85/89/712318589.db2.gz JGDDTCREHRTUFF-UPJWGTAASA-N 2 1 208.349 2.025 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C=CCC2)CC[N@H+]1C ZINC000711666892 712318608 /nfs/dbraw/zinc/31/86/08/712318608.db2.gz JGDDTCREHRTUFF-JHJVBQTASA-N 2 1 208.349 2.025 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000923480394 712334973 /nfs/dbraw/zinc/33/49/73/712334973.db2.gz YATFFCCWMYOXCQ-BPLDGKMQSA-N 2 1 230.355 2.213 20 0 BEADMP Cc1csc(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c1 ZINC000379285794 712372243 /nfs/dbraw/zinc/37/22/43/712372243.db2.gz SPDMJLPQZAGERA-KYYPQDQFSA-N 2 1 248.395 2.143 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)CCS1 ZINC000379545345 712387481 /nfs/dbraw/zinc/38/74/81/712387481.db2.gz YOWUKECNSUZYDY-CHWSQXEVSA-N 2 1 242.432 2.204 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC000712377897 712428643 /nfs/dbraw/zinc/42/86/43/712428643.db2.gz NRDCEOGBWNNQKM-FPMFFAJLSA-N 2 1 222.376 2.249 20 0 BEADMP C=C/C=C\CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000713492290 712462539 /nfs/dbraw/zinc/46/25/39/712462539.db2.gz YBNQZFUKUOKFRX-ARJAWSKDSA-N 2 1 220.360 2.335 20 0 BEADMP C=C/C=C/CC[N@H+](C)C1CCC([NH3+])CC1 ZINC000713700932 712469404 /nfs/dbraw/zinc/46/94/04/712469404.db2.gz DQFLEKZRVHFDQX-SNAWJCMRSA-N 2 1 208.349 2.320 20 0 BEADMP C=C/C=C\CC[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000713700394 712469412 /nfs/dbraw/zinc/46/94/12/712469412.db2.gz AEDXMTZOFVOGJZ-QLQVPFRHSA-N 2 1 208.349 2.178 20 0 BEADMP C=C/C=C\CC[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000713736307 712470428 /nfs/dbraw/zinc/47/04/28/712470428.db2.gz TVYVSJCCSZIGSK-FMFIFOJESA-N 2 1 210.365 2.424 20 0 BEADMP C=C/C=C\CC[N@H+]1CCCC[C@H]1C[NH2+]C ZINC000713731265 712470440 /nfs/dbraw/zinc/47/04/40/712470440.db2.gz FBKQLZXXRZCHFR-ZFDPJTLLSA-N 2 1 208.349 2.193 20 0 BEADMP C=C/C=C\CC[N@@H+]1CCCC[C@H]1C[NH2+]C ZINC000713731265 712470441 /nfs/dbraw/zinc/47/04/41/712470441.db2.gz FBKQLZXXRZCHFR-ZFDPJTLLSA-N 2 1 208.349 2.193 20 0 BEADMP C=C/C=C/CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000713742570 712471549 /nfs/dbraw/zinc/47/15/49/712471549.db2.gz ZIKRLWPUKSLLTE-JKWAOEONSA-N 2 1 220.360 2.335 20 0 BEADMP C=C/C=C\CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000713755446 712471732 /nfs/dbraw/zinc/47/17/32/712471732.db2.gz MZGCWFIZSJBIPL-NQHOJNORSA-N 2 1 220.360 2.194 20 0 BEADMP CC(C)[C@@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000036787573 712495296 /nfs/dbraw/zinc/49/52/96/712495296.db2.gz KANUUVKIWHKYSK-GFCCVEGCSA-N 2 1 200.370 2.482 20 0 BEADMP CCC1([NH3+])CC[NH+](Cc2cccnc2C)CC1 ZINC000714758496 712497817 /nfs/dbraw/zinc/49/78/17/712497817.db2.gz ICRYPXUXSPYVHX-UHFFFAOYSA-N 2 1 233.359 2.093 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714932529 712500284 /nfs/dbraw/zinc/50/02/84/712500284.db2.gz PVSLYSYNIYFFQU-YUELXQCFSA-N 2 1 236.403 2.354 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC[C@@H]3C[C@H]3C3CC3)C[C@H]21 ZINC000714930385 712500611 /nfs/dbraw/zinc/50/06/11/712500611.db2.gz ARNQLCQEWQEYMJ-LYYZXLFJSA-N 2 1 248.414 2.482 20 0 BEADMP C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000714850223 712501690 /nfs/dbraw/zinc/50/16/90/712501690.db2.gz MUVCARPJCXKQSI-ILXRZTDVSA-N 2 1 234.387 2.108 20 0 BEADMP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000714853256 712501906 /nfs/dbraw/zinc/50/19/06/712501906.db2.gz XCBZRUYZNAHTAZ-APIJFGDWSA-N 2 1 234.387 2.106 20 0 BEADMP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000714853256 712501909 /nfs/dbraw/zinc/50/19/09/712501909.db2.gz XCBZRUYZNAHTAZ-APIJFGDWSA-N 2 1 234.387 2.106 20 0 BEADMP C[C@H](Cc1ccco1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000036993738 712528727 /nfs/dbraw/zinc/52/87/27/712528727.db2.gz MRJOUFIMPYYTRA-RLAWYHOSSA-N 2 1 248.370 2.425 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccns1 ZINC000716045891 712548237 /nfs/dbraw/zinc/54/82/37/712548237.db2.gz FFIGPHDYTHLILG-MNOVXSKESA-N 2 1 239.388 2.136 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccns1 ZINC000716045891 712548238 /nfs/dbraw/zinc/54/82/38/712548238.db2.gz FFIGPHDYTHLILG-MNOVXSKESA-N 2 1 239.388 2.136 20 0 BEADMP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000716585104 712564699 /nfs/dbraw/zinc/56/46/99/712564699.db2.gz RHPSWZASMPNWOJ-ZAQNNHEOSA-N 2 1 236.403 2.351 20 0 BEADMP CC[C@@H]1CCC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000042302633 712720198 /nfs/dbraw/zinc/72/01/98/712720198.db2.gz VLRPNAIXOPDVMM-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@@H]1CCC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000042302633 712720199 /nfs/dbraw/zinc/72/01/99/712720199.db2.gz VLRPNAIXOPDVMM-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000718213355 712754386 /nfs/dbraw/zinc/75/43/86/712754386.db2.gz ALIHYBBTXKWMDS-SFYZADRCSA-N 2 1 245.779 2.012 20 0 BEADMP CC(F)(F)CCC[N@H+]1CC[NH2+]CCC1(C)C ZINC000718611419 712772918 /nfs/dbraw/zinc/77/29/18/712772918.db2.gz MFCNWNGZZLVZBM-UHFFFAOYSA-N 2 1 234.334 2.496 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCCC(C)(F)F)C1 ZINC000718710783 712778350 /nfs/dbraw/zinc/77/83/50/712778350.db2.gz XXMGTYVCLJURJV-WDEREUQCSA-N 2 1 234.334 2.481 20 0 BEADMP C[C@@H](c1ccccc1F)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720653469 712860926 /nfs/dbraw/zinc/86/09/26/712860926.db2.gz QTVWATMJGSSTBI-SLEUVZQESA-N 2 1 248.345 2.428 20 0 BEADMP C[C@@H](c1ccccc1F)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720653469 712860928 /nfs/dbraw/zinc/86/09/28/712860928.db2.gz QTVWATMJGSSTBI-SLEUVZQESA-N 2 1 248.345 2.428 20 0 BEADMP C[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720654000 712861227 /nfs/dbraw/zinc/86/12/27/712861227.db2.gz XTDZFEMGAAYELY-CORIIIEPSA-N 2 1 248.345 2.428 20 0 BEADMP C[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720654000 712861228 /nfs/dbraw/zinc/86/12/28/712861228.db2.gz XTDZFEMGAAYELY-CORIIIEPSA-N 2 1 248.345 2.428 20 0 BEADMP CCCCC[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720809507 712867163 /nfs/dbraw/zinc/86/71/63/712867163.db2.gz ZVYWWTYZEJTZFG-ZJUUUORDSA-N 2 1 238.297 2.246 20 0 BEADMP C(C1CCCCC1)[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000720901497 712875618 /nfs/dbraw/zinc/87/56/18/712875618.db2.gz CBAROVKYMBOSLS-KGLIPLIRSA-N 2 1 222.376 2.393 20 0 BEADMP C(C1CCCCC1)[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000720901497 712875619 /nfs/dbraw/zinc/87/56/19/712875619.db2.gz CBAROVKYMBOSLS-KGLIPLIRSA-N 2 1 222.376 2.393 20 0 BEADMP C(C1CCCCC1)[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000720901505 712875622 /nfs/dbraw/zinc/87/56/22/712875622.db2.gz CBAROVKYMBOSLS-ZIAGYGMSSA-N 2 1 222.376 2.393 20 0 BEADMP C(C1CCCCC1)[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000720901505 712875624 /nfs/dbraw/zinc/87/56/24/712875624.db2.gz CBAROVKYMBOSLS-ZIAGYGMSSA-N 2 1 222.376 2.393 20 0 BEADMP C(C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21)C1CCCC1 ZINC000720905496 712876969 /nfs/dbraw/zinc/87/69/69/712876969.db2.gz YZQMKIWOYNZRDJ-KBPBESRZSA-N 2 1 222.376 2.393 20 0 BEADMP C(C[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21)C1CCCC1 ZINC000720905496 712876971 /nfs/dbraw/zinc/87/69/71/712876971.db2.gz YZQMKIWOYNZRDJ-KBPBESRZSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1Cn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 ZINC000721106966 712890912 /nfs/dbraw/zinc/89/09/12/712890912.db2.gz WEIQAKCCCXTBSO-RVMXOQNASA-N 2 1 247.386 2.109 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)(C)CC2)C1 ZINC001208606282 957091600 /nfs/dbraw/zinc/09/16/00/957091600.db2.gz DTDLEGKCYVRLMK-CYBMUJFWSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]CC2CC(C)(C)C2)C[NH2+]1 ZINC000706558959 957975075 /nfs/dbraw/zinc/97/50/75/957975075.db2.gz DPUVXSNWBROHCR-JQWIXIFHSA-N 2 1 210.365 2.153 20 0 BEADMP CC[C@H](CSC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000217327797 958102142 /nfs/dbraw/zinc/10/21/42/958102142.db2.gz BFUGNZMCXBCIHO-ODWCKFRGSA-N 2 1 242.432 2.343 20 0 BEADMP Cc1cc(C)[nH+]c(N2CCC[C@H]([NH+](C)C)C2)c1 ZINC001165035681 721885552 /nfs/dbraw/zinc/88/55/52/721885552.db2.gz NSVXRPVKDGGTEG-ZDUSSCGKSA-N 2 1 233.359 2.229 20 0 BEADMP CCCCOCC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000082594412 958497076 /nfs/dbraw/zinc/49/70/76/958497076.db2.gz VBEHNUCSYRUUFS-CYBMUJFWSA-N 2 1 228.380 2.006 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1(Cl)CC1 ZINC000695654755 960329138 /nfs/dbraw/zinc/32/91/38/960329138.db2.gz JGADJIDWGKDPFY-QWRGUYRKSA-N 2 1 242.794 2.220 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1(Cl)CC1 ZINC000695675185 960346281 /nfs/dbraw/zinc/34/62/81/960346281.db2.gz RZULGRPPQJXESS-MXWKQRLJSA-N 2 1 230.783 2.219 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1(Cl)CC1 ZINC000695675185 960346288 /nfs/dbraw/zinc/34/62/88/960346288.db2.gz RZULGRPPQJXESS-MXWKQRLJSA-N 2 1 230.783 2.219 20 0 BEADMP C(C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)C[NH+]1CCC1 ZINC000710930230 962543629 /nfs/dbraw/zinc/54/36/29/962543629.db2.gz KXMDJKSBZNNGBY-BTTYYORXSA-N 2 1 222.376 2.251 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167948470 962595824 /nfs/dbraw/zinc/59/58/24/962595824.db2.gz NFNHFWGWFNJEAB-BTTYYORXSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@H](C)[N@@H+](CC)C[C@@H]1CCCC[NH2+]C1 ZINC000697040180 963668141 /nfs/dbraw/zinc/66/81/41/963668141.db2.gz HKEARXNAGHAXBQ-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP C[N@@H+](CC1CC1)C1CC[NH+](CC2CC2)CC1 ZINC001168370720 964925032 /nfs/dbraw/zinc/92/50/32/964925032.db2.gz FKDMACZPSNUVHR-UHFFFAOYSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H](C[N@H+]1CCC[C@](C)([NH3+])CC1)C(F)(F)F ZINC001205255008 967441780 /nfs/dbraw/zinc/44/17/80/967441780.db2.gz DORUXEYVZNXBLV-ZJUUUORDSA-N 2 1 238.297 2.388 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205984001 967936169 /nfs/dbraw/zinc/93/61/69/967936169.db2.gz QUDZGQLMXXNTMC-QWHCGFSZSA-N 2 1 212.381 2.339 20 0 BEADMP COC(C)(C)CC[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206542085 968366262 /nfs/dbraw/zinc/36/62/62/968366262.db2.gz QZBFUMDVKPSBGJ-AWEZNQCLSA-N 2 1 242.407 2.252 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1F ZINC000084946297 1165990368 /nfs/dbraw/zinc/99/03/68/1165990368.db2.gz XLNKQRQYYCRGEF-AAEUAGOBSA-N 2 1 236.334 2.446 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1F ZINC000084946297 1165990372 /nfs/dbraw/zinc/99/03/72/1165990372.db2.gz XLNKQRQYYCRGEF-AAEUAGOBSA-N 2 1 236.334 2.446 20 0 BEADMP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000693336416 1166030418 /nfs/dbraw/zinc/03/04/18/1166030418.db2.gz HOVQZPWVABSQQA-USZNOCQGSA-N 2 1 246.345 2.241 20 0 BEADMP CC1CC([N@@H+](C)CC(C)(C)C[NH+](C)C)C1 ZINC001207275979 968713616 /nfs/dbraw/zinc/71/36/16/968713616.db2.gz RRFLUAGWCGDGQB-UHFFFAOYSA-N 2 1 212.381 2.305 20 0 BEADMP C[C@@H](C[NH3+])C[N@@H+](C)C1C[C@H](C)C[C@@H](C)C1 ZINC000082832690 1166079940 /nfs/dbraw/zinc/07/99/40/1166079940.db2.gz ICDZGGUMPGGCAR-UTUOFQBUSA-N 2 1 212.381 2.338 20 0 BEADMP CCCO[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207285436 968717755 /nfs/dbraw/zinc/71/77/55/968717755.db2.gz KJPLWPKZLNPCOL-ZDUSSCGKSA-N 2 1 242.407 2.075 20 0 BEADMP C1C[C@@H]2CCC[N@@H+](C3CC[NH2+]CC3)[C@@H]2C1 ZINC000083701137 1166114509 /nfs/dbraw/zinc/11/45/09/1166114509.db2.gz UQAKYJFFVRZJAD-DGCLKSJQSA-N 2 1 208.349 2.003 20 0 BEADMP C1C[C@@H]2CCC[N@H+](C3CC[NH2+]CC3)[C@@H]2C1 ZINC000083701137 1166114511 /nfs/dbraw/zinc/11/45/11/1166114511.db2.gz UQAKYJFFVRZJAD-DGCLKSJQSA-N 2 1 208.349 2.003 20 0 BEADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H](F)C2)CC1 ZINC001207482364 968798469 /nfs/dbraw/zinc/79/84/69/968798469.db2.gz BOQFVOGEOYWDMG-CYBMUJFWSA-N 2 1 228.355 2.152 20 0 BEADMP C[C@@H]1CCC[N@@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207480263 968798973 /nfs/dbraw/zinc/79/89/73/968798973.db2.gz YZJATPZNKHXYRM-CYBMUJFWSA-N 2 1 224.392 2.450 20 0 BEADMP CC1CC([N@@H+](C)CCC2CC[NH+](C)CC2)C1 ZINC001207480259 968797604 /nfs/dbraw/zinc/79/76/04/968797604.db2.gz YSKUMNGBPIKJCI-UHFFFAOYSA-N 2 1 224.392 2.449 20 0 BEADMP Cc1cc(C)nc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000723877362 1166146982 /nfs/dbraw/zinc/14/69/82/1166146982.db2.gz TXKJBHIIYJTLGV-TZMCWYRMSA-N 2 1 247.386 2.115 20 0 BEADMP Cc1cc(C)nc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000723877359 1166147092 /nfs/dbraw/zinc/14/70/92/1166147092.db2.gz TXKJBHIIYJTLGV-GXTWGEPZSA-N 2 1 247.386 2.115 20 0 BEADMP CC[C@@H]1C[N@H+](Cc2cc(C)cc(C)n2)CC[C@H]1[NH3+] ZINC000723876598 1166147384 /nfs/dbraw/zinc/14/73/84/1166147384.db2.gz LHFNBQRJCXEPRS-UKRRQHHQSA-N 2 1 247.386 2.258 20 0 BEADMP CC[C@@H]1C[N@@H+](Cc2cc(C)cc(C)n2)CC[C@H]1[NH3+] ZINC000723876598 1166147387 /nfs/dbraw/zinc/14/73/87/1166147387.db2.gz LHFNBQRJCXEPRS-UKRRQHHQSA-N 2 1 247.386 2.258 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]CCCc2ccccc2)C[NH2+]1 ZINC000399126262 1166148161 /nfs/dbraw/zinc/14/81/61/1166148161.db2.gz KNPNXBTVSUGOKV-DZGCQCFKSA-N 2 1 232.371 2.349 20 0 BEADMP Cc1ccccc1CC[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000399148621 1166157677 /nfs/dbraw/zinc/15/76/77/1166157677.db2.gz YCRAIAGEWOSNAA-ZFWWWQNUSA-N 2 1 232.371 2.268 20 0 BEADMP CCC[C@H](CC)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000129319498 1166169991 /nfs/dbraw/zinc/16/99/91/1166169991.db2.gz WHHLUDVWLDMIQX-RWMBFGLXSA-N 2 1 212.381 2.495 20 0 BEADMP CCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000129319498 1166169996 /nfs/dbraw/zinc/16/99/96/1166169996.db2.gz WHHLUDVWLDMIQX-RWMBFGLXSA-N 2 1 212.381 2.495 20 0 BEADMP C[N@@H+](CC1CC1)CC1(C)CC[NH+](C)CC1 ZINC001208102311 969004182 /nfs/dbraw/zinc/00/41/82/969004182.db2.gz DPKGXVIXEMQECZ-UHFFFAOYSA-N 2 1 210.365 2.060 20 0 BEADMP CS[C@H](C)CC[N@H+]1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001208151183 969071900 /nfs/dbraw/zinc/07/19/00/969071900.db2.gz SYVHKGRQADSZJL-FRRDWIJNSA-N 2 1 242.432 2.154 20 0 BEADMP CCC[N@@H+](C[C@H](O)C[NH+](CC)CC)[C@@H](C)CC ZINC001253175086 969098279 /nfs/dbraw/zinc/09/82/79/969098279.db2.gz FERCHLBUGUVPAO-UONOGXRCSA-N 2 1 244.423 2.200 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH+](C)C2)CCC1(F)F ZINC001208609276 969145861 /nfs/dbraw/zinc/14/58/61/969145861.db2.gz ZYJZLEJZRJHNIO-VXGBXAGGSA-N 2 1 246.345 2.305 20 0 BEADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](C)C2)CCC1(F)F ZINC001208609276 969145869 /nfs/dbraw/zinc/14/58/69/969145869.db2.gz ZYJZLEJZRJHNIO-VXGBXAGGSA-N 2 1 246.345 2.305 20 0 BEADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](C)C2)CCC1(F)F ZINC001208609276 969145875 /nfs/dbraw/zinc/14/58/75/969145875.db2.gz ZYJZLEJZRJHNIO-VXGBXAGGSA-N 2 1 246.345 2.305 20 0 BEADMP CCC1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208608207 969148250 /nfs/dbraw/zinc/14/82/50/969148250.db2.gz RZJPWTZJOZBNDH-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC23CCCC3)C1 ZINC001208608638 969159948 /nfs/dbraw/zinc/15/99/48/969159948.db2.gz VPGGGRZKQSYFKT-CYBMUJFWSA-N 2 1 222.376 2.347 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC23CCCC3)C1 ZINC001208608638 969159950 /nfs/dbraw/zinc/15/99/50/969159950.db2.gz VPGGGRZKQSYFKT-CYBMUJFWSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC23CCCC3)C1 ZINC001208608638 969159953 /nfs/dbraw/zinc/15/99/53/969159953.db2.gz VPGGGRZKQSYFKT-CYBMUJFWSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC23CCCC3)C1 ZINC001208608638 969159956 /nfs/dbraw/zinc/15/99/56/969159956.db2.gz VPGGGRZKQSYFKT-CYBMUJFWSA-N 2 1 222.376 2.347 20 0 BEADMP C[C@H]1[C@@H](C)[N@H+](CCC[NH2+]C2CC2)C[C@H]1C ZINC000399667438 1166250935 /nfs/dbraw/zinc/25/09/35/1166250935.db2.gz MRNMZDUNXGKPEF-IJLUTSLNSA-N 2 1 210.365 2.105 20 0 BEADMP CCCC[C@H](CC)C[N@@H+]1CC[C@@H]([NH2+]C)C1 ZINC000227670676 1166257759 /nfs/dbraw/zinc/25/77/59/1166257759.db2.gz WCEHGJWUVNXPFS-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP CCCC[C@H](CC)C[N@H+]1CC[C@@H]([NH2+]C)C1 ZINC000227670676 1166257766 /nfs/dbraw/zinc/25/77/66/1166257766.db2.gz WCEHGJWUVNXPFS-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@@](C)(F)C2)C1 ZINC001208607638 969165514 /nfs/dbraw/zinc/16/55/14/969165514.db2.gz MGQUZJLZCQXHRY-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@](C)(F)C2)C1 ZINC001208607638 969165522 /nfs/dbraw/zinc/16/55/22/969165522.db2.gz MGQUZJLZCQXHRY-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@](C)(F)C2)C1 ZINC001208607638 969165528 /nfs/dbraw/zinc/16/55/28/969165528.db2.gz MGQUZJLZCQXHRY-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@](C)(F)C2)C1 ZINC001208607638 969165533 /nfs/dbraw/zinc/16/55/33/969165533.db2.gz MGQUZJLZCQXHRY-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[C@@H]1CCC[N@H+](C[C@H]2CCC[NH+](C)C2)[C@H]1C ZINC001208610190 969169324 /nfs/dbraw/zinc/16/93/24/969169324.db2.gz ZQENPLKDWSZHLX-RDBSUJKOSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH+](C)C2)[C@H]1C ZINC001208610190 969169329 /nfs/dbraw/zinc/16/93/29/969169329.db2.gz ZQENPLKDWSZHLX-RDBSUJKOSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CCC[NH+](C[C@H]2CCC[N@H+](C)C2)[C@H]1C ZINC001208610190 969169332 /nfs/dbraw/zinc/16/93/32/969169332.db2.gz ZQENPLKDWSZHLX-RDBSUJKOSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CCC[NH+](C[C@H]2CCC[N@@H+](C)C2)[C@H]1C ZINC001208610190 969169337 /nfs/dbraw/zinc/16/93/37/969169337.db2.gz ZQENPLKDWSZHLX-RDBSUJKOSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208615756 969171175 /nfs/dbraw/zinc/17/11/75/969171175.db2.gz XYHYPWGVYYJECH-OLZOCXBDSA-N 2 1 210.365 2.060 20 0 BEADMP CC[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208615756 969171180 /nfs/dbraw/zinc/17/11/80/969171180.db2.gz XYHYPWGVYYJECH-OLZOCXBDSA-N 2 1 210.365 2.060 20 0 BEADMP CC[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208615756 969171183 /nfs/dbraw/zinc/17/11/83/969171183.db2.gz XYHYPWGVYYJECH-OLZOCXBDSA-N 2 1 210.365 2.060 20 0 BEADMP CC(C)[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208612124 969171473 /nfs/dbraw/zinc/17/14/73/969171473.db2.gz BHRAHRKCODZWFT-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208612124 969171478 /nfs/dbraw/zinc/17/14/78/969171478.db2.gz BHRAHRKCODZWFT-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[C@H]1CCC[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC001208612124 969171484 /nfs/dbraw/zinc/17/14/84/969171484.db2.gz BHRAHRKCODZWFT-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[C@H]1CCC[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208612124 969171492 /nfs/dbraw/zinc/17/14/92/969171492.db2.gz BHRAHRKCODZWFT-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2C[C@H]([NH3+])C[C@H](C)C2)c1 ZINC000227677104 1166264415 /nfs/dbraw/zinc/26/44/15/1166264415.db2.gz HLTUVKOYFHJCSE-DZGCQCFKSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1cc(C)cc(C[N@@H+]2C[C@H]([NH3+])C[C@H](C)C2)c1 ZINC000227677104 1166264422 /nfs/dbraw/zinc/26/44/22/1166264422.db2.gz HLTUVKOYFHJCSE-DZGCQCFKSA-N 2 1 232.371 2.473 20 0 BEADMP CC(C)CCC[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001208736470 969228616 /nfs/dbraw/zinc/22/86/16/969228616.db2.gz HBVDCFOLWXMNHB-ZIAGYGMSSA-N 2 1 224.392 2.306 20 0 BEADMP CC[N@H+](C)C1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC001208885911 969273895 /nfs/dbraw/zinc/27/38/95/969273895.db2.gz ROUDYPFAQQPAEG-AWEZNQCLSA-N 2 1 238.375 2.095 20 0 BEADMP CC[N@@H+](C)C1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC001208885911 969273903 /nfs/dbraw/zinc/27/39/03/969273903.db2.gz ROUDYPFAQQPAEG-AWEZNQCLSA-N 2 1 238.375 2.095 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@H+]([C@H]2CCc3c2cccc3F)C1 ZINC000250218962 1166304932 /nfs/dbraw/zinc/30/49/32/1166304932.db2.gz QUIIGZGLMSQFLK-NHYWBVRUSA-N 2 1 248.345 2.484 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC[NH3+])CC(C)(C)C1 ZINC000227741928 1166307390 /nfs/dbraw/zinc/30/73/90/1166307390.db2.gz JKIWMZIRWASWGS-VXGBXAGGSA-N 2 1 212.381 2.482 20 0 BEADMP CCCC[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169123378 969420191 /nfs/dbraw/zinc/42/01/91/969420191.db2.gz KKASQUFGLFUGLX-ITGUQSILSA-N 2 1 210.365 2.344 20 0 BEADMP CCCC[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169123378 969420196 /nfs/dbraw/zinc/42/01/96/969420196.db2.gz KKASQUFGLFUGLX-ITGUQSILSA-N 2 1 210.365 2.344 20 0 BEADMP CC[C@H]1CCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169143137 969466387 /nfs/dbraw/zinc/46/63/87/969466387.db2.gz YFNNESGIUXTJBM-FQUUOJAGSA-N 2 1 222.376 2.486 20 0 BEADMP CC[C@H]1CCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169143137 969466392 /nfs/dbraw/zinc/46/63/92/969466392.db2.gz YFNNESGIUXTJBM-FQUUOJAGSA-N 2 1 222.376 2.486 20 0 BEADMP CC[C@@H]1CCCC[N@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC000252935578 1166427744 /nfs/dbraw/zinc/42/77/44/1166427744.db2.gz FMAHAOQRSOBZIB-UPJWGTAASA-N 2 1 210.365 2.391 20 0 BEADMP CCN1CCC([N@H+]2CCCC2(C)C)CC1 ZINC001169246079 969533439 /nfs/dbraw/zinc/53/34/39/969533439.db2.gz OIYFEKHVTQKLFT-UHFFFAOYSA-N 2 1 210.365 2.345 20 0 BEADMP CC[NH+]1CCC([N@@H+]2CCCC2(C)C)CC1 ZINC001169246079 969533447 /nfs/dbraw/zinc/53/34/47/969533447.db2.gz OIYFEKHVTQKLFT-UHFFFAOYSA-N 2 1 210.365 2.345 20 0 BEADMP CC[NH+]1CCC([N@H+]2CCCC2(C)C)CC1 ZINC001169246079 969533454 /nfs/dbraw/zinc/53/34/54/969533454.db2.gz OIYFEKHVTQKLFT-UHFFFAOYSA-N 2 1 210.365 2.345 20 0 BEADMP CCN1CCC([N@H+]2CCC[C@@](C)(F)C2)CC1 ZINC001169246259 969536526 /nfs/dbraw/zinc/53/65/26/969536526.db2.gz RAMYFWVTSXVSHJ-CYBMUJFWSA-N 2 1 228.355 2.295 20 0 BEADMP c1ccc([C@@H]2CC[N@@H+]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000250808876 1166432602 /nfs/dbraw/zinc/43/26/02/1166432602.db2.gz JRSZTULCLLFNCP-CABCVRRESA-N 2 1 230.355 2.228 20 0 BEADMP c1ccc([C@@H]2CC[N@H+]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000250808876 1166432605 /nfs/dbraw/zinc/43/26/05/1166432605.db2.gz JRSZTULCLLFNCP-CABCVRRESA-N 2 1 230.355 2.228 20 0 BEADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC000252961214 1166461023 /nfs/dbraw/zinc/46/10/23/1166461023.db2.gz VELJTGIBRWVDFS-YVECIDJPSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)[C@@H](C)C1 ZINC000252961213 1166461200 /nfs/dbraw/zinc/46/12/00/1166461200.db2.gz VELJTGIBRWVDFS-FVCCEPFGSA-N 2 1 210.365 2.247 20 0 BEADMP C1C[C@@H]2CCC[N@H+]([C@@H]3CCC[NH2+]C3)[C@H]2C1 ZINC000250996828 1166465043 /nfs/dbraw/zinc/46/50/43/1166465043.db2.gz DBLMOVNQZLUWJV-UPJWGTAASA-N 2 1 208.349 2.003 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+]C(C)(C)C2CC2)CC1 ZINC001254497001 969658295 /nfs/dbraw/zinc/65/82/95/969658295.db2.gz CVHXUKMSVAOFCL-LBPRGKRZSA-N 2 1 210.365 2.249 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2CCCCCC2)CC1 ZINC001254516021 969693397 /nfs/dbraw/zinc/69/33/97/969693397.db2.gz IPWLFGAPRFRCQZ-ZDUSSCGKSA-N 2 1 210.365 2.347 20 0 BEADMP [NH3+]C[C@H]1CCCC[N@H+](C2CCCCC2)C1 ZINC000215782001 1166486878 /nfs/dbraw/zinc/48/68/78/1166486878.db2.gz YXCAXRCDVGQBGZ-GFCCVEGCSA-N 2 1 210.365 2.380 20 0 BEADMP C1CC[C@H]2[C@H](C1)CCC[N@H+]2[C@@H]1CCC[NH2+]C1 ZINC000036827155 1166498029 /nfs/dbraw/zinc/49/80/29/1166498029.db2.gz HBTGAYJPEGRVRI-MCIONIFRSA-N 2 1 222.376 2.393 20 0 BEADMP C1CC[C@H]2[C@H](C1)CCC[N@@H+]2C1CC[NH2+]CC1 ZINC000036827159 1166497897 /nfs/dbraw/zinc/49/78/97/1166497897.db2.gz SXJMTCQAIMACAS-OCCSQVGLSA-N 2 1 222.376 2.393 20 0 BEADMP C1CC[C@H]2[C@H](C1)CCC[N@H+]2C1CC[NH2+]CC1 ZINC000036827159 1166497899 /nfs/dbraw/zinc/49/78/99/1166497899.db2.gz SXJMTCQAIMACAS-OCCSQVGLSA-N 2 1 222.376 2.393 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC000162145602 1166506483 /nfs/dbraw/zinc/50/64/83/1166506483.db2.gz DGVQQXLDXHAQKG-SNVBAGLBSA-N 2 1 226.751 2.080 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001170103232 970295460 /nfs/dbraw/zinc/29/54/60/970295460.db2.gz DSABJECGWJNNGA-XQQFMLRXSA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@H+](C1CC1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255673839 970450957 /nfs/dbraw/zinc/45/09/57/970450957.db2.gz GEPMNJHPPSQNNH-PBWFPOADSA-N 2 1 222.376 2.486 20 0 BEADMP CC[N@@H+](C1CC1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255673839 970450965 /nfs/dbraw/zinc/45/09/65/970450965.db2.gz GEPMNJHPPSQNNH-PBWFPOADSA-N 2 1 222.376 2.486 20 0 BEADMP CC[NH+](C1CC1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255673839 970450972 /nfs/dbraw/zinc/45/09/72/970450972.db2.gz GEPMNJHPPSQNNH-PBWFPOADSA-N 2 1 222.376 2.486 20 0 BEADMP CC[NH+](C1CC1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255673839 970450979 /nfs/dbraw/zinc/45/09/79/970450979.db2.gz GEPMNJHPPSQNNH-PBWFPOADSA-N 2 1 222.376 2.486 20 0 BEADMP CC(C)[C@H]1CCC[N@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC000252965021 1166760636 /nfs/dbraw/zinc/76/06/36/1166760636.db2.gz WWQYFFWTGKXLIQ-FRRDWIJNSA-N 2 1 210.365 2.247 20 0 BEADMP CC[NH2+]C1CC[NH+](CCSC(C)C)CC1 ZINC000379892547 1166811177 /nfs/dbraw/zinc/81/11/77/1166811177.db2.gz FSEFQWZTQGSCDY-UHFFFAOYSA-N 2 1 230.421 2.202 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCSCC1 ZINC001255958991 970594220 /nfs/dbraw/zinc/59/42/20/970594220.db2.gz ICSXPNGKIFUNGE-GFCCVEGCSA-N 2 1 230.421 2.156 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@@H+](CC)CC(C)(C)O ZINC001255968497 970601652 /nfs/dbraw/zinc/60/16/52/970601652.db2.gz ZUPBQIAOFHAHTO-ZDUSSCGKSA-N 2 1 244.423 2.200 20 0 BEADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@@H](C)C2)CC1 ZINC000148788684 1166894326 /nfs/dbraw/zinc/89/43/26/1166894326.db2.gz GCDQJFYLEZBYFE-GFCCVEGCSA-N 2 1 210.365 2.201 20 0 BEADMP CC(C)[NH+]1CCC([N@H+]2CC[C@@H](C)C2)CC1 ZINC000148788684 1166894331 /nfs/dbraw/zinc/89/43/31/1166894331.db2.gz GCDQJFYLEZBYFE-GFCCVEGCSA-N 2 1 210.365 2.201 20 0 BEADMP C[N@H+](CCC1CC1)C1CC[NH+](C2CC2)CC1 ZINC001256081147 970647319 /nfs/dbraw/zinc/64/73/19/970647319.db2.gz PWBCSIGLWSJZNY-UHFFFAOYSA-N 2 1 222.376 2.345 20 0 BEADMP C[N@@H+](CCC1CC1)C1CC[NH+](C2CC2)CC1 ZINC001256081147 970647323 /nfs/dbraw/zinc/64/73/23/970647323.db2.gz PWBCSIGLWSJZNY-UHFFFAOYSA-N 2 1 222.376 2.345 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCC3(CCCC3)C2)CC[NH2+]1 ZINC000304318479 1166911870 /nfs/dbraw/zinc/91/18/70/1166911870.db2.gz BWBHUZCCDWLWFP-CHWSQXEVSA-N 2 1 222.376 2.393 20 0 BEADMP C[NH+]1CCC([NH2+]C(C)(C)CC2CC2)CC1 ZINC001256199133 970695259 /nfs/dbraw/zinc/69/52/59/970695259.db2.gz JDGOWILGOYAAAM-UHFFFAOYSA-N 2 1 210.365 2.249 20 0 BEADMP CCc1ccc(C[C@@H](C)[NH2+]C2(C[NH3+])CC2)cc1 ZINC001173247879 975086279 /nfs/dbraw/zinc/08/62/79/975086279.db2.gz CYAOERGYHVYQSI-GFCCVEGCSA-N 2 1 232.371 2.261 20 0 BEADMP CC[C@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001332425197 975114376 /nfs/dbraw/zinc/11/43/76/975114376.db2.gz XBVLBKQYPGCYJH-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP CCC[C@H](CC)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000134099412 1167073431 /nfs/dbraw/zinc/07/34/31/1167073431.db2.gz RIWYGUFJMFMGRL-ZDUSSCGKSA-N 2 1 242.407 2.266 20 0 BEADMP C1C[C@H]2CCC[N@@H+](C3CC[NH2+]CC3)[C@H]2C1 ZINC000251459849 1167151253 /nfs/dbraw/zinc/15/12/53/1167151253.db2.gz UQAKYJFFVRZJAD-AAEUAGOBSA-N 2 1 208.349 2.003 20 0 BEADMP C1C[C@H]2CCC[N@H+](C3CC[NH2+]CC3)[C@H]2C1 ZINC000251459849 1167151256 /nfs/dbraw/zinc/15/12/56/1167151256.db2.gz UQAKYJFFVRZJAD-AAEUAGOBSA-N 2 1 208.349 2.003 20 0 BEADMP C1CCC2(C1)CC[N@H+]([C@H]1CCC[NH2+]C1)C2 ZINC000308955098 1167227948 /nfs/dbraw/zinc/22/79/48/1167227948.db2.gz YDUWCYWSKGBPRB-LBPRGKRZSA-N 2 1 208.349 2.005 20 0 BEADMP CSCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000308965594 1167227825 /nfs/dbraw/zinc/22/78/25/1167227825.db2.gz VIRZNEKWQAFYLR-SDDRHHMPSA-N 2 1 230.421 2.058 20 0 BEADMP CSCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000308965594 1167227829 /nfs/dbraw/zinc/22/78/29/1167227829.db2.gz VIRZNEKWQAFYLR-SDDRHHMPSA-N 2 1 230.421 2.058 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2csc(C)c2)C1 ZINC000309360747 1167294534 /nfs/dbraw/zinc/29/45/34/1167294534.db2.gz ZJGWACVZSMJOHO-GFCCVEGCSA-N 2 1 238.400 2.488 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2csc(C)c2)C1 ZINC000309360747 1167294538 /nfs/dbraw/zinc/29/45/38/1167294538.db2.gz ZJGWACVZSMJOHO-GFCCVEGCSA-N 2 1 238.400 2.488 20 0 BEADMP CCC[C@H](C)C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC000225342397 1167439629 /nfs/dbraw/zinc/43/96/29/1167439629.db2.gz ILTCSGLOPJDUCO-RWMBFGLXSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3F)CC[C@@H]1[NH3+] ZINC000251617096 1167450266 /nfs/dbraw/zinc/45/02/66/1167450266.db2.gz DTEYCLRRZGABKQ-ONERCXAPSA-N 2 1 248.345 2.482 20 0 BEADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252098653 1167626452 /nfs/dbraw/zinc/62/64/52/1167626452.db2.gz ICDZGGUMPGGCAR-QNWHQSFQSA-N 2 1 212.381 2.338 20 0 BEADMP CCC(CC)C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000086701654 1167640680 /nfs/dbraw/zinc/64/06/80/1167640680.db2.gz JOHDUOGVMXENFZ-UHFFFAOYSA-N 2 1 212.381 2.354 20 0 BEADMP CC[N@H+](Cc1ccoc1)CC1CC[NH2+]CC1 ZINC000086701780 1167640459 /nfs/dbraw/zinc/64/04/59/1167640459.db2.gz ZZHWDXDPHUEDFU-UHFFFAOYSA-N 2 1 222.332 2.101 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000151589684 1167723370 /nfs/dbraw/zinc/72/33/70/1167723370.db2.gz MXCYPLAYUIRVAQ-WXHSDQCUSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C)[C@@H]2C)CC[NH2+]1 ZINC000229546108 1167773010 /nfs/dbraw/zinc/77/30/10/1167773010.db2.gz BFFRSWMZRDXURF-NDBYEHHHSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](C)C2)C[C@@H](C)C1 ZINC000252216065 1167774392 /nfs/dbraw/zinc/77/43/92/1167774392.db2.gz ZFMNGLIWODHPBE-RQJABVFESA-N 2 1 224.392 2.352 20 0 BEADMP CC1=C[C@@H](C)[C@@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001235073766 1167778787 /nfs/dbraw/zinc/77/87/87/1167778787.db2.gz VWBYIUXOKAPWBI-KBUPBQIOSA-N 2 1 234.387 2.415 20 0 BEADMP CC1=C[C@@H](C)[C@@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001235073766 1167778792 /nfs/dbraw/zinc/77/87/92/1167778792.db2.gz VWBYIUXOKAPWBI-KBUPBQIOSA-N 2 1 234.387 2.415 20 0 BEADMP CC[C@@H](C)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC000130039114 1167817805 /nfs/dbraw/zinc/81/78/05/1167817805.db2.gz WXZPXYRUQPDTGD-SNVBAGLBSA-N 2 1 207.321 2.321 20 0 BEADMP CO[C@H]1CCC[C@@H]([N@@H+](CCC[NH3+])C(C)C)C1 ZINC000069846605 978762702 /nfs/dbraw/zinc/76/27/02/978762702.db2.gz FCPFWIUHKPLWFT-OLZOCXBDSA-N 2 1 228.380 2.003 20 0 BEADMP C[C@H](CC[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1)CC(C)(C)C ZINC001235147042 978982222 /nfs/dbraw/zinc/98/22/22/978982222.db2.gz PPCPWMLMKYUCLG-DYEKYZERSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@H](CC[N@H+]1C[C@@H]2C[C@]2([NH3+])C1)CC(C)(C)C ZINC001235147042 978982225 /nfs/dbraw/zinc/98/22/25/978982225.db2.gz PPCPWMLMKYUCLG-DYEKYZERSA-N 2 1 224.392 2.482 20 0 BEADMP CCc1cccc(C)c1C[N@@H+](C)CCC[NH3+] ZINC001235435124 979047105 /nfs/dbraw/zinc/04/71/05/979047105.db2.gz APMBJXNAAPQJQQ-UHFFFAOYSA-N 2 1 220.360 2.338 20 0 BEADMP CC1(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CCCCC1 ZINC001235981994 979261225 /nfs/dbraw/zinc/26/12/25/979261225.db2.gz ZUAJVVIGKRLKEA-TZMCWYRMSA-N 2 1 222.376 2.380 20 0 BEADMP CCC1CCC([N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000310528328 1168239594 /nfs/dbraw/zinc/23/95/94/1168239594.db2.gz NMNBTCYWFBRTIS-GQKFXUNGSA-N 2 1 236.403 2.497 20 0 BEADMP CCC[C@H](C)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314457 979526096 /nfs/dbraw/zinc/52/60/96/979526096.db2.gz NGDLGQVBWKUJLC-MELADBBJSA-N 2 1 224.392 2.354 20 0 BEADMP CCC(CC)C[N@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001236325684 979534945 /nfs/dbraw/zinc/53/49/45/979534945.db2.gz BPJBMZFQUJMWDN-CQSZACIVSA-N 2 1 242.407 2.123 20 0 BEADMP CCC(CC)C[N@@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001236325684 979534951 /nfs/dbraw/zinc/53/49/51/979534951.db2.gz BPJBMZFQUJMWDN-CQSZACIVSA-N 2 1 242.407 2.123 20 0 BEADMP COCC[N@H+](CCC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC001236327005 979535492 /nfs/dbraw/zinc/53/54/92/979535492.db2.gz IVRZXPHGZBWDIT-ZDUSSCGKSA-N 2 1 242.407 2.123 20 0 BEADMP COCC[N@@H+](CCC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC001236327005 979535500 /nfs/dbraw/zinc/53/55/00/979535500.db2.gz IVRZXPHGZBWDIT-ZDUSSCGKSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1cccnc1 ZINC000086817290 1168311304 /nfs/dbraw/zinc/31/13/04/1168311304.db2.gz CYDDIDRXYKEDOO-TZMCWYRMSA-N 2 1 233.359 2.217 20 0 BEADMP CC(C)CC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC000037484737 1168418302 /nfs/dbraw/zinc/41/83/02/1168418302.db2.gz ARIUGHDZUNOUIH-STQMWFEESA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H](Cc1cccs1)[N@@H+](C)CC1(C[NH3+])CC1 ZINC000168795103 1168427798 /nfs/dbraw/zinc/42/77/98/1168427798.db2.gz OELILEKXLQWLCQ-NSHDSACASA-N 2 1 238.400 2.350 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001345104695 980549736 /nfs/dbraw/zinc/54/97/36/980549736.db2.gz NGFKINKJKMANLE-AWEZNQCLSA-N 2 1 218.344 2.002 20 0 BEADMP C[N@H+](CCC(F)(F)F)C[C@@]1(C)CCC[NH2+]C1 ZINC000083890093 980570778 /nfs/dbraw/zinc/57/07/78/980570778.db2.gz GQPUVGRRKISZNH-JTQLQIEISA-N 2 1 238.297 2.260 20 0 BEADMP C[N@@H+](CCC(F)(F)F)C[C@@]1(C)CCC[NH2+]C1 ZINC000083890093 980570786 /nfs/dbraw/zinc/57/07/86/980570786.db2.gz GQPUVGRRKISZNH-JTQLQIEISA-N 2 1 238.297 2.260 20 0 BEADMP CC(C)(C)C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205537223 980905021 /nfs/dbraw/zinc/90/50/21/980905021.db2.gz GINDTEBRXHKIIO-GFCCVEGCSA-N 2 1 216.344 2.185 20 0 BEADMP [NH3+]C[C@@]1(F)CCC[N@H+](C2CCSCC2)CC1 ZINC000257924848 1168586426 /nfs/dbraw/zinc/58/64/26/1168586426.db2.gz BBMRRPPRMRYJCB-GFCCVEGCSA-N 2 1 246.395 2.035 20 0 BEADMP C1[C@H]2C[NH2+]C[C@H]2[N@@H+]1C1CCCCCCC1 ZINC001246914872 1168659727 /nfs/dbraw/zinc/65/97/27/1168659727.db2.gz DQIPHPQXBWPYEX-DGCLKSJQSA-N 2 1 208.349 2.003 20 0 BEADMP C1[C@H]2C[NH2+]C[C@H]2[N@H+]1C1CCCCCCC1 ZINC001246914872 1168659730 /nfs/dbraw/zinc/65/97/30/1168659730.db2.gz DQIPHPQXBWPYEX-DGCLKSJQSA-N 2 1 208.349 2.003 20 0 BEADMP CCc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)[nH]1 ZINC001203236185 1168777360 /nfs/dbraw/zinc/77/73/60/1168777360.db2.gz FHQWPSCUIURSJG-GARJFASQSA-N 2 1 237.322 2.070 20 0 BEADMP CCC[C@@H](C)C[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001201563430 983330316 /nfs/dbraw/zinc/33/03/16/983330316.db2.gz PYCOVVOTZVQWJN-MCIONIFRSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[C@@H](C)C[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001201563430 983330319 /nfs/dbraw/zinc/33/03/19/983330319.db2.gz PYCOVVOTZVQWJN-MCIONIFRSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[C@@H](C)C[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001201563430 983330324 /nfs/dbraw/zinc/33/03/24/983330324.db2.gz PYCOVVOTZVQWJN-MCIONIFRSA-N 2 1 224.392 2.306 20 0 BEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1[nH]cc(C)c1C ZINC001276140524 1169068083 /nfs/dbraw/zinc/06/80/83/1169068083.db2.gz JXNCOOCYCWWJGM-AGUYFDCRSA-N 2 1 247.386 2.346 20 0 BEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1[nH]cc(C)c1C ZINC001276140524 1169068094 /nfs/dbraw/zinc/06/80/94/1169068094.db2.gz JXNCOOCYCWWJGM-AGUYFDCRSA-N 2 1 247.386 2.346 20 0 BEADMP CCC[C@@H](O)C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001252799431 983895313 /nfs/dbraw/zinc/89/53/13/983895313.db2.gz RUVOTADGHHSVMH-UONOGXRCSA-N 2 1 242.407 2.002 20 0 BEADMP CCC[C@H](O)C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001252799430 983896185 /nfs/dbraw/zinc/89/61/85/983896185.db2.gz RUVOTADGHHSVMH-KGLIPLIRSA-N 2 1 242.407 2.002 20 0 BEADMP CCOCC[C@H](C)[N@@H+](CC)C1CCN(C)CC1 ZINC001172426512 974703591 /nfs/dbraw/zinc/70/35/91/974703591.db2.gz YPNSUPVVOCGTHF-ZDUSSCGKSA-N 2 1 242.407 2.218 20 0 BEADMP CCOCC[C@@H](C)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001172428827 974706995 /nfs/dbraw/zinc/70/69/95/974706995.db2.gz OFFOIMZKIUXKQG-CYBMUJFWSA-N 2 1 242.407 2.218 20 0 BEADMP CC(C)OCC[C@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001172440655 974799187 /nfs/dbraw/zinc/79/91/87/974799187.db2.gz IHOPEHQWXLYPJK-UONOGXRCSA-N 2 1 242.407 2.264 20 0 BEADMP CC(C)OCC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001172447474 974810000 /nfs/dbraw/zinc/81/00/00/974810000.db2.gz IHOPEHQWXLYPJK-KGLIPLIRSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@H]2CCCSC2)C1 ZINC001246583912 972948536 /nfs/dbraw/zinc/94/85/36/972948536.db2.gz LRGMKILJWLNENE-STQMWFEESA-N 2 1 242.432 2.333 20 0 BEADMP CC[C@@H](C)C[C@@H](CC)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246616108 973035664 /nfs/dbraw/zinc/03/56/64/973035664.db2.gz YDNAESMJCWAJDZ-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP [NH3+]C[C@H]1CCCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000402202319 970767699 /nfs/dbraw/zinc/76/76/99/970767699.db2.gz FFNWMHXUHCUFJO-UONOGXRCSA-N 2 1 222.376 2.404 20 0 BEADMP CCC[C@H](C)C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403136477 970884007 /nfs/dbraw/zinc/88/40/07/970884007.db2.gz BWWZNONVSCAWDX-QWRGUYRKSA-N 2 1 234.334 2.339 20 0 BEADMP CC[N@H+](C(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256621304 970887781 /nfs/dbraw/zinc/88/77/81/970887781.db2.gz NSBCIVNAOVATSL-FUNVUKJBSA-N 2 1 210.365 2.342 20 0 BEADMP CC[N@@H+](C(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256621304 970887786 /nfs/dbraw/zinc/88/77/86/970887786.db2.gz NSBCIVNAOVATSL-FUNVUKJBSA-N 2 1 210.365 2.342 20 0 BEADMP CC[NH+](C(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256621304 970887789 /nfs/dbraw/zinc/88/77/89/970887789.db2.gz NSBCIVNAOVATSL-FUNVUKJBSA-N 2 1 210.365 2.342 20 0 BEADMP CC[NH+](C(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256621304 970887794 /nfs/dbraw/zinc/88/77/94/970887794.db2.gz NSBCIVNAOVATSL-FUNVUKJBSA-N 2 1 210.365 2.342 20 0 BEADMP C[C@@H]1CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256621079 970888585 /nfs/dbraw/zinc/88/85/85/970888585.db2.gz JSOKWXSKXYEIOD-FKJOKYEKSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256621079 970888588 /nfs/dbraw/zinc/88/85/88/970888588.db2.gz JSOKWXSKXYEIOD-FKJOKYEKSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256621079 970888593 /nfs/dbraw/zinc/88/85/93/970888593.db2.gz JSOKWXSKXYEIOD-FKJOKYEKSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256621079 970888600 /nfs/dbraw/zinc/88/86/00/970888600.db2.gz JSOKWXSKXYEIOD-FKJOKYEKSA-N 2 1 208.349 2.096 20 0 BEADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCCC2)CCC1(F)F ZINC000403199491 970891841 /nfs/dbraw/zinc/89/18/41/970891841.db2.gz ZFGVHFLDKSCUBY-LLVKDONJSA-N 2 1 232.318 2.093 20 0 BEADMP CC(C)(C)CC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403181268 970892835 /nfs/dbraw/zinc/89/28/35/970892835.db2.gz RBRZIEFQBIOASZ-JTQLQIEISA-N 2 1 234.334 2.339 20 0 BEADMP CC(C)(C)CC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403181269 970894577 /nfs/dbraw/zinc/89/45/77/970894577.db2.gz RBRZIEFQBIOASZ-SNVBAGLBSA-N 2 1 234.334 2.339 20 0 BEADMP CC[C@@H]1CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628257 970894878 /nfs/dbraw/zinc/89/48/78/970894878.db2.gz YFNNESGIUXTJBM-HABKJSAYSA-N 2 1 222.376 2.486 20 0 BEADMP CC[C@@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628257 970894882 /nfs/dbraw/zinc/89/48/82/970894882.db2.gz YFNNESGIUXTJBM-HABKJSAYSA-N 2 1 222.376 2.486 20 0 BEADMP CC[C@@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256628257 970894886 /nfs/dbraw/zinc/89/48/86/970894886.db2.gz YFNNESGIUXTJBM-HABKJSAYSA-N 2 1 222.376 2.486 20 0 BEADMP CC[C@@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256628257 970894891 /nfs/dbraw/zinc/89/48/91/970894891.db2.gz YFNNESGIUXTJBM-HABKJSAYSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@@H](Cc1ccncc1)[NH+]1CCC([NH+](C)C)CC1 ZINC001256732612 970959544 /nfs/dbraw/zinc/95/95/44/970959544.db2.gz GAMBZHJLNYJMEY-ZDUSSCGKSA-N 2 1 247.386 2.039 20 0 BEADMP CC(C)(C[NH3+])[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256787706 970986804 /nfs/dbraw/zinc/98/68/04/970986804.db2.gz WQHMXFWNNFIMJG-KBPBESRZSA-N 2 1 248.370 2.234 20 0 BEADMP Cc1cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)sn1 ZINC000404468990 971167386 /nfs/dbraw/zinc/16/73/86/971167386.db2.gz WJURDPWZIKTNPW-LLVKDONJSA-N 2 1 239.388 2.012 20 0 BEADMP Cc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)sn1 ZINC000404468990 971167390 /nfs/dbraw/zinc/16/73/90/971167390.db2.gz WJURDPWZIKTNPW-LLVKDONJSA-N 2 1 239.388 2.012 20 0 BEADMP CCC(CC)[NH2+][C@H]1C[C@H]2CC[N@@H+](C1)[C@H]2C ZINC001257290724 971175793 /nfs/dbraw/zinc/17/57/93/971175793.db2.gz ALBCAFAMHIDGAH-LOWVWBTDSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@H]1C[N@H+](C[C@H]2CCC[NH2+]2)CCc2ccccc21 ZINC000404887009 971185189 /nfs/dbraw/zinc/18/51/89/971185189.db2.gz JDQUSWUHNCFYCF-DZGCQCFKSA-N 2 1 244.382 2.400 20 0 BEADMP C[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]2)CCc2ccccc21 ZINC000404887009 971185193 /nfs/dbraw/zinc/18/51/93/971185193.db2.gz JDQUSWUHNCFYCF-DZGCQCFKSA-N 2 1 244.382 2.400 20 0 BEADMP CCC(CC)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001257301474 971189493 /nfs/dbraw/zinc/18/94/93/971189493.db2.gz FTFGJNMTVCFCPD-UHFFFAOYSA-N 2 1 210.365 2.345 20 0 BEADMP Cc1noc(C)c1[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405241655 971221347 /nfs/dbraw/zinc/22/13/47/971221347.db2.gz WKODHTPLHSLXSU-UWJYBYFXSA-N 2 1 249.358 2.212 20 0 BEADMP Cc1noc(C)c1[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405241480 971221673 /nfs/dbraw/zinc/22/16/73/971221673.db2.gz WKODHTPLHSLXSU-AXTRIDKLSA-N 2 1 249.358 2.212 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)c1C ZINC000405714161 971298613 /nfs/dbraw/zinc/29/86/13/971298613.db2.gz BFECDLHLVQXSSJ-CQSZACIVSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@](C)([NH3+])C2)c1C ZINC000405714161 971298619 /nfs/dbraw/zinc/29/86/19/971298619.db2.gz BFECDLHLVQXSSJ-CQSZACIVSA-N 2 1 218.344 2.227 20 0 BEADMP C[C@@H](C[N@@H+]1CC[C@](C)([NH3+])C1)c1ccccc1 ZINC000405734530 971300703 /nfs/dbraw/zinc/30/07/03/971300703.db2.gz ACHMGDPWSKJXAF-JSGCOSHPSA-N 2 1 218.344 2.213 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@](C)([NH3+])C1)c1ccccc1 ZINC000405734530 971300710 /nfs/dbraw/zinc/30/07/10/971300710.db2.gz ACHMGDPWSKJXAF-JSGCOSHPSA-N 2 1 218.344 2.213 20 0 BEADMP C[C@]1([NH3+])CC[N@H+](CCCCc2ccccc2)C1 ZINC000405837389 971310308 /nfs/dbraw/zinc/31/03/08/971310308.db2.gz QFONQDRYEUHTRB-HNNXBMFYSA-N 2 1 232.371 2.432 20 0 BEADMP C[C@]1([NH3+])CC[N@@H+](CCCCc2ccccc2)C1 ZINC000405837389 971310313 /nfs/dbraw/zinc/31/03/13/971310313.db2.gz QFONQDRYEUHTRB-HNNXBMFYSA-N 2 1 232.371 2.432 20 0 BEADMP CC[C@H](C)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001257434248 971343948 /nfs/dbraw/zinc/34/39/48/971343948.db2.gz PGQKPHGLOCPTCR-LBPRGKRZSA-N 2 1 233.359 2.130 20 0 BEADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCCSC1 ZINC001257676556 971479114 /nfs/dbraw/zinc/47/91/14/971479114.db2.gz DDRKUOCLIKVRAF-CYBMUJFWSA-N 2 1 242.432 2.300 20 0 BEADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170714763 971626432 /nfs/dbraw/zinc/62/64/32/971626432.db2.gz ACTHPMOMSIOJRX-ZSBIGDGJSA-N 2 1 233.359 2.300 20 0 BEADMP C[N@H+]1CCC[C@H](Oc2cccc(C[NH3+])c2)CC1 ZINC001218211957 971631457 /nfs/dbraw/zinc/63/14/57/971631457.db2.gz NXZKIKOXWULAJD-ZDUSSCGKSA-N 2 1 234.343 2.008 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156244 974337260 /nfs/dbraw/zinc/33/72/60/974337260.db2.gz PGFZUGGEWANAQA-TUAOUCFPSA-N 2 1 216.344 2.184 20 0 BEADMP CCC[C@H](C)C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156244 974337271 /nfs/dbraw/zinc/33/72/71/974337271.db2.gz PGFZUGGEWANAQA-TUAOUCFPSA-N 2 1 216.344 2.184 20 0 BEADMP C[NH+](C)CCC[N@@H+](C)[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170737915 971683103 /nfs/dbraw/zinc/68/31/03/971683103.db2.gz DDWGZZOWHDSLOP-CLLJXQQHSA-N 2 1 224.392 2.305 20 0 BEADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](C)C1CC1)C2 ZINC001172109095 974372240 /nfs/dbraw/zinc/37/22/40/974372240.db2.gz AVFYHKUQZUOVCV-ITGUQSILSA-N 2 1 208.349 2.096 20 0 BEADMP C[N@H+](C1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172109095 974372256 /nfs/dbraw/zinc/37/22/56/974372256.db2.gz AVFYHKUQZUOVCV-ITGUQSILSA-N 2 1 208.349 2.096 20 0 BEADMP C[N@@H+](C1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172109095 974372265 /nfs/dbraw/zinc/37/22/65/974372265.db2.gz AVFYHKUQZUOVCV-ITGUQSILSA-N 2 1 208.349 2.096 20 0 BEADMP C[NH+](C1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172109095 974372277 /nfs/dbraw/zinc/37/22/77/974372277.db2.gz AVFYHKUQZUOVCV-ITGUQSILSA-N 2 1 208.349 2.096 20 0 BEADMP C[NH+](C1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172109095 974372291 /nfs/dbraw/zinc/37/22/91/974372291.db2.gz AVFYHKUQZUOVCV-ITGUQSILSA-N 2 1 208.349 2.096 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@H](F)C1)C2 ZINC001172121439 974387597 /nfs/dbraw/zinc/38/75/97/974387597.db2.gz QNZIPAAUMNJECI-RVMXOQNASA-N 2 1 226.339 2.046 20 0 BEADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170763744 971750249 /nfs/dbraw/zinc/75/02/49/971750249.db2.gz CMBDVZHDGKKAGA-HGTKMLMNSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170763744 971750254 /nfs/dbraw/zinc/75/02/54/971750254.db2.gz CMBDVZHDGKKAGA-HGTKMLMNSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170763744 971750259 /nfs/dbraw/zinc/75/02/59/971750259.db2.gz CMBDVZHDGKKAGA-HGTKMLMNSA-N 2 1 248.414 2.449 20 0 BEADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]2C1 ZINC001170768001 971760776 /nfs/dbraw/zinc/76/07/76/971760776.db2.gz VSLFEPQIGTYMHH-CUZDEVPKSA-N 2 1 248.414 2.305 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]2C1 ZINC001170768001 971760790 /nfs/dbraw/zinc/76/07/90/971760790.db2.gz VSLFEPQIGTYMHH-CUZDEVPKSA-N 2 1 248.414 2.305 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]2C1 ZINC001170768001 971760797 /nfs/dbraw/zinc/76/07/97/971760797.db2.gz VSLFEPQIGTYMHH-CUZDEVPKSA-N 2 1 248.414 2.305 20 0 BEADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC=C(Cl)Cl ZINC000407161993 971809495 /nfs/dbraw/zinc/80/94/95/971809495.db2.gz YJOSYNVKGFLYAY-BQBZGAKWSA-N 2 1 223.147 2.021 20 0 BEADMP CC[C@@H](C)OCC[C@@H](C)[N@H+]1CCC[C@H]1CN ZINC001172323267 974532449 /nfs/dbraw/zinc/53/24/49/974532449.db2.gz BPAHRCAQOGYXJF-UPJWGTAASA-N 2 1 228.380 2.003 20 0 BEADMP CC[C@@H](C)OCC[C@@H](C)[N@H+]1CCC[C@H]1C[NH3+] ZINC001172323267 974532459 /nfs/dbraw/zinc/53/24/59/974532459.db2.gz BPAHRCAQOGYXJF-UPJWGTAASA-N 2 1 228.380 2.003 20 0 BEADMP CC[C@@H](C)OCC[C@H](C)n1c[nH+]cc1CC[NH3+] ZINC001172322758 974534595 /nfs/dbraw/zinc/53/45/95/974534595.db2.gz YFKOEEDUAKSELV-NWDGAFQWSA-N 2 1 239.363 2.151 20 0 BEADMP CC(C)[N@@H+]([C@H]1COC(C)(C)C1)C(C)(C)C[NH3+] ZINC001172279524 974539703 /nfs/dbraw/zinc/53/97/03/974539703.db2.gz IFICCONDLHSNRU-LLVKDONJSA-N 2 1 228.380 2.002 20 0 BEADMP C[C@H]1CC[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145041 1169682547 /nfs/dbraw/zinc/68/25/47/1169682547.db2.gz SLVFXMCDMHIPFX-NSHDSACASA-N 2 1 236.334 2.482 20 0 BEADMP CCCCCC[C@H](CCC)[N@H+](CC[NH3+])CCO ZINC001172379969 974586075 /nfs/dbraw/zinc/58/60/75/974586075.db2.gz YBRATPGWIACFAI-AWEZNQCLSA-N 2 1 244.423 2.379 20 0 BEADMP CCCCCC[C@H](CCC)[N@@H+](CC[NH3+])CCO ZINC001172379969 974586083 /nfs/dbraw/zinc/58/60/83/974586083.db2.gz YBRATPGWIACFAI-AWEZNQCLSA-N 2 1 244.423 2.379 20 0 BEADMP CC[C@H](C)OCC[C@@H](C)[N@@H+](C)CCC[NH+](C)C ZINC001172334377 974598593 /nfs/dbraw/zinc/59/85/93/974598593.db2.gz BPBPMQHVHDIOQW-KGLIPLIRSA-N 2 1 244.423 2.464 20 0 BEADMP COc1ccccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000311002589 971990540 /nfs/dbraw/zinc/99/05/40/971990540.db2.gz IQFIFEVQOFPCKT-CYBMUJFWSA-N 2 1 248.370 2.256 20 0 BEADMP CC[C@@]([NH3+])(CO)Nc1cc[nH+]c2cc(C)ccc12 ZINC001170866821 972001643 /nfs/dbraw/zinc/00/16/43/972001643.db2.gz ZOLMJVNLWGSGKD-AWEZNQCLSA-N 2 1 245.326 2.012 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)s1 ZINC001246167271 972201018 /nfs/dbraw/zinc/20/10/18/972201018.db2.gz FENRPLDPZHJPLA-ZYHUDNBSSA-N 2 1 238.400 2.329 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)s1 ZINC001246167250 972201160 /nfs/dbraw/zinc/20/11/60/972201160.db2.gz FENRPLDPZHJPLA-CMPLNLGQSA-N 2 1 238.400 2.329 20 0 BEADMP C(C[N@H+]1C[C@H]2CC[C@@H]1C2)C[NH+]1CCCCC1 ZINC000193477996 972226077 /nfs/dbraw/zinc/22/60/77/972226077.db2.gz ZGWFTVVAKNYVMF-UONOGXRCSA-N 2 1 222.376 2.347 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)nc1 ZINC001246231173 972235306 /nfs/dbraw/zinc/23/53/06/972235306.db2.gz SFJGISPAJUXDHX-RWMBFGLXSA-N 2 1 233.359 2.181 20 0 BEADMP C[C@H]1CCCC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208607286 957095320 /nfs/dbraw/zinc/09/53/20/957095320.db2.gz LHZBQFMSYMRETG-KBPBESRZSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@H]1CCCC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208607286 957095340 /nfs/dbraw/zinc/09/53/40/957095340.db2.gz LHZBQFMSYMRETG-KBPBESRZSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@H]1CCCC[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208607286 957095354 /nfs/dbraw/zinc/09/53/54/957095354.db2.gz LHZBQFMSYMRETG-KBPBESRZSA-N 2 1 224.392 2.450 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@H](C(F)F)C2)C1 ZINC001208612795 957099013 /nfs/dbraw/zinc/09/90/13/957099013.db2.gz NZDJGQOJYFIZRE-RYUDHWBXSA-N 2 1 246.345 2.305 20 0 BEADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@H](C(F)F)C2)C1 ZINC001208612795 957099024 /nfs/dbraw/zinc/09/90/24/957099024.db2.gz NZDJGQOJYFIZRE-RYUDHWBXSA-N 2 1 246.345 2.305 20 0 BEADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@H](C(F)F)C2)C1 ZINC001208612795 957099031 /nfs/dbraw/zinc/09/90/31/957099031.db2.gz NZDJGQOJYFIZRE-RYUDHWBXSA-N 2 1 246.345 2.305 20 0 BEADMP C[N@@H+]1CCC[C@@H](C[NH+]2CC3CCC2CC3)C1 ZINC001208613679 957100633 /nfs/dbraw/zinc/10/06/33/957100633.db2.gz YABQSSXRAFDGOZ-ROKHWSDSSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CC3CCC2CC3)C1 ZINC001208613679 957100645 /nfs/dbraw/zinc/10/06/45/957100645.db2.gz YABQSSXRAFDGOZ-ROKHWSDSSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC3CCC2CC3)C1 ZINC001208613679 957100652 /nfs/dbraw/zinc/10/06/52/957100652.db2.gz YABQSSXRAFDGOZ-ROKHWSDSSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@H+]2CC3CCC2CC3)C1 ZINC001208613679 957100664 /nfs/dbraw/zinc/10/06/64/957100664.db2.gz YABQSSXRAFDGOZ-ROKHWSDSSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+](C)CCC[N@@H+](C)CCC1CCCC1 ZINC001208690896 957128950 /nfs/dbraw/zinc/12/89/50/957128950.db2.gz YCGRMNIUSFPRRC-UHFFFAOYSA-N 2 1 212.381 2.450 20 0 BEADMP CCCC[C@@H]1C[C@@H]([NH2+]CC[C@@H]([NH3+])CC)CC[NH2+]1 ZINC001246308892 972271666 /nfs/dbraw/zinc/27/16/66/972271666.db2.gz SXJYMRBJMWSILC-MJBXVCDLSA-N 3 1 241.423 2.014 20 0 BEADMP C[N@H+]1CC[C@H](Nc2ccc(C3([NH3+])CCC3)cc2)C1 ZINC001167278196 957625084 /nfs/dbraw/zinc/62/50/84/957625084.db2.gz BFGOTFKQLCWYNS-AWEZNQCLSA-N 2 1 245.370 2.141 20 0 BEADMP CO[C@@H](C[N@@H+](C)CCCCCC[NH3+])C1CCC1 ZINC000692247780 957646667 /nfs/dbraw/zinc/64/66/67/957646667.db2.gz DQGOOSZVDMRNCZ-AWEZNQCLSA-N 2 1 242.407 2.252 20 0 BEADMP C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)CC[NH2+]1 ZINC001210476942 957763192 /nfs/dbraw/zinc/76/31/92/957763192.db2.gz ZGUHZWLYXZVNFR-CYBMUJFWSA-N 2 1 244.382 2.359 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)CC[NH2+]1 ZINC001210476942 957763198 /nfs/dbraw/zinc/76/31/98/957763198.db2.gz ZGUHZWLYXZVNFR-CYBMUJFWSA-N 2 1 244.382 2.359 20 0 BEADMP C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)CC[NH2+]1 ZINC001210476943 957764843 /nfs/dbraw/zinc/76/48/43/957764843.db2.gz ZGUHZWLYXZVNFR-ZDUSSCGKSA-N 2 1 244.382 2.359 20 0 BEADMP C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)CC[NH2+]1 ZINC001210476943 957764845 /nfs/dbraw/zinc/76/48/45/957764845.db2.gz ZGUHZWLYXZVNFR-ZDUSSCGKSA-N 2 1 244.382 2.359 20 0 BEADMP C1[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)C12CCCCC2 ZINC001246333638 972295386 /nfs/dbraw/zinc/29/53/86/972295386.db2.gz KWAYIDNHBBCAGR-QWHCGFSZSA-N 2 1 222.376 2.441 20 0 BEADMP C1[C@H]([NH2+][C@H]2CCCC[NH2+]C2)C12CCCCC2 ZINC001246333640 972295846 /nfs/dbraw/zinc/29/58/46/972295846.db2.gz KWAYIDNHBBCAGR-STQMWFEESA-N 2 1 222.376 2.441 20 0 BEADMP c1ccc2c(c1)CC[C@@H](C[NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC001246397897 972310858 /nfs/dbraw/zinc/31/08/58/972310858.db2.gz UQFOYCUPFLFKKB-CZUORRHYSA-N 2 1 244.382 2.133 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000723654822 958433095 /nfs/dbraw/zinc/43/30/95/958433095.db2.gz IKNBHNRUNIMTEZ-FDYHWXHSSA-N 2 1 210.365 2.282 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)C1CCCC1 ZINC000398952617 958448978 /nfs/dbraw/zinc/44/89/78/958448978.db2.gz FHDLECDDSUYUDF-GVXVVHGQSA-N 2 1 210.365 2.295 20 0 BEADMP CCCCC[C@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000399017016 958482373 /nfs/dbraw/zinc/48/23/73/958482373.db2.gz GCASLZRPOLWRTH-ZDUSSCGKSA-N 2 1 242.407 2.002 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)C[NH2+]1 ZINC000399010953 958482880 /nfs/dbraw/zinc/48/28/80/958482880.db2.gz XQBXSDAXCNYHOM-ONGXEEELSA-N 2 1 232.318 2.294 20 0 BEADMP C[C@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CCC[C@H](C)C2)C1 ZINC001246497766 972355944 /nfs/dbraw/zinc/35/59/44/972355944.db2.gz RDKAVOMFGVSTFL-LOWDOPEQSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@H]1C[NH2+]C[C@@H]([NH2+][C@H]2CCC[C@H](C)C2)C1 ZINC001246497768 972357521 /nfs/dbraw/zinc/35/75/21/972357521.db2.gz RDKAVOMFGVSTFL-RNJOBUHISA-N 2 1 210.365 2.153 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]CCc2cccc(F)c2)C[NH2+]1 ZINC000399214758 958570141 /nfs/dbraw/zinc/57/01/41/958570141.db2.gz ZEYQUBBQSHSAOV-SMDDNHRTSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2CCC23CCCC3)CC[NH2+]1 ZINC000707627661 958635391 /nfs/dbraw/zinc/63/53/91/958635391.db2.gz RRRVYQWPEYYIDB-NWDGAFQWSA-N 2 1 208.349 2.145 20 0 BEADMP C(C1CC[NH2+]CC1)[N@H+]1CCC12CCCC2 ZINC000707642309 958645289 /nfs/dbraw/zinc/64/52/89/958645289.db2.gz SDRGPDXRGJFFSX-UHFFFAOYSA-N 2 1 208.349 2.005 20 0 BEADMP C1CC2(CCCCC2)[N@H+]1[C@H]1CCC[NH2+]C1 ZINC000707663842 958657849 /nfs/dbraw/zinc/65/78/49/958657849.db2.gz XWYVEYQQTVJFGR-LBPRGKRZSA-N 2 1 208.349 2.147 20 0 BEADMP C(C1CC[NH2+]CC1)[N@H+]1CCC12CCCCC2 ZINC000707663545 958659701 /nfs/dbraw/zinc/65/97/01/958659701.db2.gz VUUUHVURWPLNBO-UHFFFAOYSA-N 2 1 222.376 2.395 20 0 BEADMP CSCC[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000707909438 958812816 /nfs/dbraw/zinc/81/28/16/958812816.db2.gz HXMJSQJESRDPSZ-VXGBXAGGSA-N 2 1 230.421 2.202 20 0 BEADMP CC(C)CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000693569381 958865037 /nfs/dbraw/zinc/86/50/37/958865037.db2.gz QGDQUBZPIRXSAJ-TXEJJXNPSA-N 2 1 210.365 2.234 20 0 BEADMP CCC1(CC)CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000693579904 958870295 /nfs/dbraw/zinc/87/02/95/958870295.db2.gz QOZXZZVKNIFPQX-TXEJJXNPSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCc2ccccc21 ZINC000693618760 959008784 /nfs/dbraw/zinc/00/87/84/959008784.db2.gz ZCYFLKMHBQSRBB-NFAWXSAZSA-N 2 1 244.382 2.386 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000690744620 959205713 /nfs/dbraw/zinc/20/57/13/959205713.db2.gz YPPMGYSAEXLXCL-LBPRGKRZSA-N 2 1 236.334 2.305 20 0 BEADMP COC(C)(C)CC[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222236884 972417812 /nfs/dbraw/zinc/41/78/12/972417812.db2.gz CMZOMXREEGATKU-CQSZACIVSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000300357225 959377205 /nfs/dbraw/zinc/37/72/05/959377205.db2.gz WFQNINHMWRBAKM-RFQIPJPRSA-N 2 1 224.392 2.352 20 0 BEADMP Cc1c[nH+]c(N2CCC[C@@](C)(C[NH3+])C2)c(C)c1 ZINC000708429774 959436466 /nfs/dbraw/zinc/43/64/66/959436466.db2.gz MDHRLPUJIJASDC-AWEZNQCLSA-N 2 1 233.359 2.264 20 0 BEADMP CCC[C@H](C)C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000308799152 959502312 /nfs/dbraw/zinc/50/23/12/959502312.db2.gz DFKZPGBYUUELOQ-QWHCGFSZSA-N 2 1 212.381 2.483 20 0 BEADMP CC(C)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC000308826544 959519842 /nfs/dbraw/zinc/51/98/42/959519842.db2.gz AJOFEGZDZAMNOL-AVGNSLFASA-N 2 1 212.381 2.493 20 0 BEADMP CCCOC1CCC([N@H+]2CC[C@](C)([NH3+])C2)CC1 ZINC001246532210 972450725 /nfs/dbraw/zinc/45/07/25/972450725.db2.gz VXIUUERCORYOMS-RUXDESIVSA-N 2 1 240.391 2.147 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](C(F)F)C2)CC1 ZINC001207398238 959716267 /nfs/dbraw/zinc/71/62/67/959716267.db2.gz BNPPZTDICSYQGL-GFCCVEGCSA-N 2 1 246.345 2.305 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222384809 972451401 /nfs/dbraw/zinc/45/14/01/972451401.db2.gz AALPXTKBUHDCHN-HZSPNIEDSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@H](CCc1ccco1)[NH2+][C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000924564878 959832095 /nfs/dbraw/zinc/83/20/95/959832095.db2.gz SQHPEIWOUAYDHM-IPYPFGDCSA-N 2 1 248.370 2.285 20 0 BEADMP C[C@H](CCc1ccco1)[NH2+][C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000924564878 959832107 /nfs/dbraw/zinc/83/21/07/959832107.db2.gz SQHPEIWOUAYDHM-IPYPFGDCSA-N 2 1 248.370 2.285 20 0 BEADMP CCCC(CCC)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708862419 959986601 /nfs/dbraw/zinc/98/66/01/959986601.db2.gz GLEZRHOSVTUNAS-NWDGAFQWSA-N 2 1 212.381 2.482 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222422489 972471905 /nfs/dbraw/zinc/47/19/05/972471905.db2.gz VBLWAPXEEVNXIA-ZJIFWQFVSA-N 2 1 246.398 2.417 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCCC(F)(F)C1 ZINC000695114592 960108193 /nfs/dbraw/zinc/10/81/93/960108193.db2.gz WXFVOHQOHVQGMQ-AXFHLTTASA-N 2 1 232.318 2.294 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000695114592 960108198 /nfs/dbraw/zinc/10/81/98/960108198.db2.gz WXFVOHQOHVQGMQ-AXFHLTTASA-N 2 1 232.318 2.294 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)C2(Cl)CC2)C1 ZINC000695635918 960310945 /nfs/dbraw/zinc/31/09/45/960310945.db2.gz DVDWPICQYNDOAZ-VXGBXAGGSA-N 2 1 244.810 2.468 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1(Cl)CC1 ZINC000695675192 960345071 /nfs/dbraw/zinc/34/50/71/960345071.db2.gz RZULGRPPQJXESS-VWYCJHECSA-N 2 1 230.783 2.219 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1(Cl)CC1 ZINC000695675192 960345088 /nfs/dbraw/zinc/34/50/88/960345088.db2.gz RZULGRPPQJXESS-VWYCJHECSA-N 2 1 230.783 2.219 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000695717252 960400098 /nfs/dbraw/zinc/40/00/98/960400098.db2.gz IJSRBIPCVWANGJ-CQSZACIVSA-N 2 1 236.403 2.498 20 0 BEADMP CC[N@H+](CCOC)Cc1c[nH]c2cc[nH+]cc12 ZINC001140800124 960579102 /nfs/dbraw/zinc/57/91/02/960579102.db2.gz VXSUANRYYZJRHU-UHFFFAOYSA-N 2 1 233.315 2.031 20 0 BEADMP CC[N@@H+](CCOC)Cc1c[nH]c2cc[nH+]cc12 ZINC001140800124 960579122 /nfs/dbraw/zinc/57/91/22/960579122.db2.gz VXSUANRYYZJRHU-UHFFFAOYSA-N 2 1 233.315 2.031 20 0 BEADMP COCC[N@H+](Cc1c[nH]c2cc[nH+]cc12)C(C)C ZINC001140803010 960585238 /nfs/dbraw/zinc/58/52/38/960585238.db2.gz IXRJOPORYVKPQP-UHFFFAOYSA-N 2 1 247.342 2.420 20 0 BEADMP COCC[N@@H+](Cc1c[nH]c2cc[nH+]cc12)C(C)C ZINC001140803010 960585255 /nfs/dbraw/zinc/58/52/55/960585255.db2.gz IXRJOPORYVKPQP-UHFFFAOYSA-N 2 1 247.342 2.420 20 0 BEADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)C1CCOCC1 ZINC001140800077 960591057 /nfs/dbraw/zinc/59/10/57/960591057.db2.gz SSLOAZUJTYWRDK-UHFFFAOYSA-N 2 1 245.326 2.174 20 0 BEADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)C1CCOCC1 ZINC001140800077 960591061 /nfs/dbraw/zinc/59/10/61/960591061.db2.gz SSLOAZUJTYWRDK-UHFFFAOYSA-N 2 1 245.326 2.174 20 0 BEADMP CC[N@H+](Cc1ccncc1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000709480740 960622160 /nfs/dbraw/zinc/62/21/60/960622160.db2.gz YHZZEWFVFGDBLW-GXTWGEPZSA-N 2 1 233.359 2.044 20 0 BEADMP CC[N@@H+](Cc1ccncc1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000709480740 960622166 /nfs/dbraw/zinc/62/21/66/960622166.db2.gz YHZZEWFVFGDBLW-GXTWGEPZSA-N 2 1 233.359 2.044 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCCc2ccccc2C1 ZINC000925781479 961135431 /nfs/dbraw/zinc/13/54/31/961135431.db2.gz ACVHJCDFZIFBDI-UHOFOFEASA-N 2 1 244.382 2.132 20 0 BEADMP Cc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(C)n1 ZINC001206631880 962122416 /nfs/dbraw/zinc/12/24/16/962122416.db2.gz BWVPQMKGLSCCGO-AWEZNQCLSA-N 2 1 247.386 2.259 20 0 BEADMP Cc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1O ZINC001206632249 962127554 /nfs/dbraw/zinc/12/75/54/962127554.db2.gz HOCBAWZMAFLBKG-CQSZACIVSA-N 2 1 248.370 2.261 20 0 BEADMP Cc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc(C)n1 ZINC001206632865 962143428 /nfs/dbraw/zinc/14/34/28/962143428.db2.gz PJJSYOFMUBBCGL-CQSZACIVSA-N 2 1 247.386 2.259 20 0 BEADMP CCCCCC[NH+]1CC2(C1)CCC[NH2+]C2 ZINC000710014844 962214028 /nfs/dbraw/zinc/21/40/28/962214028.db2.gz LQWODWSYVSLSGW-UHFFFAOYSA-N 2 1 210.365 2.252 20 0 BEADMP [NH3+]C[C@H]1CCCC[N@@H+](CC2OC=CC2=S)C1 ZINC001206641184 962284838 /nfs/dbraw/zinc/28/48/38/962284838.db2.gz UCYLJTGPYDWPPX-SNVBAGLBSA-N 2 1 240.372 2.129 20 0 BEADMP CC[C@@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000710790648 962473011 /nfs/dbraw/zinc/47/30/11/962473011.db2.gz FIWKPMFMTPGKME-DAAZQVBGSA-N 2 1 208.349 2.144 20 0 BEADMP CCc1cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)nc(C)[nH+]1 ZINC000711662116 962745821 /nfs/dbraw/zinc/74/58/21/962745821.db2.gz GRJCMXVXJXKBDU-GXTWGEPZSA-N 2 1 246.358 2.044 20 0 BEADMP c1cc2c(s1)C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000711801336 962770446 /nfs/dbraw/zinc/77/04/46/962770446.db2.gz KOYRDIBZKUTMJL-FUNVUKJBSA-N 2 1 248.395 2.389 20 0 BEADMP CCCc1cc(NC[C@H]2C[NH2+][C@H](C)C2)nc(C)[nH+]1 ZINC001155101592 962979545 /nfs/dbraw/zinc/97/95/45/962979545.db2.gz FAKGZYNYMLRELU-ZYHUDNBSSA-N 2 1 248.374 2.147 20 0 BEADMP CC[C@H](C)Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001168000844 963225659 /nfs/dbraw/zinc/22/56/59/963225659.db2.gz XYDWRBOHVMRCKD-JTQLQIEISA-N 2 1 244.342 2.232 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)CC[C@@H]1C[NH3+] ZINC000302389067 963365548 /nfs/dbraw/zinc/36/55/48/963365548.db2.gz IZSJTNIPULOJFQ-GRYCIOLGSA-N 2 1 246.345 2.339 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)CC[C@H]1C[NH3+] ZINC000302389073 963365635 /nfs/dbraw/zinc/36/56/35/963365635.db2.gz IZSJTNIPULOJFQ-WOPDTQHZSA-N 2 1 246.345 2.339 20 0 BEADMP CC(C)(C[NH3+])[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255686965 1169826119 /nfs/dbraw/zinc/82/61/19/1169826119.db2.gz VUKCULUISZDYRC-IUCAKERBSA-N 2 1 238.297 2.434 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)CCO1 ZINC001168080907 963627304 /nfs/dbraw/zinc/62/73/04/963627304.db2.gz XDKLSDWOSHDNKO-RFGFWPKPSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@H](C)C[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000697043920 963668824 /nfs/dbraw/zinc/66/88/24/963668824.db2.gz XPIYHECUAPIJEY-STQMWFEESA-N 2 1 212.381 2.354 20 0 BEADMP CC[C@H](C)C[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000697043916 963669230 /nfs/dbraw/zinc/66/92/30/963669230.db2.gz XPIYHECUAPIJEY-QWHCGFSZSA-N 2 1 212.381 2.354 20 0 BEADMP CCO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000721246951 964088599 /nfs/dbraw/zinc/08/85/99/964088599.db2.gz YADAXWQLWWXNQU-UONOGXRCSA-N 2 1 240.391 2.018 20 0 BEADMP c1[nH]c2ccc(NC3=C[NH2+]CCC3)cc2[nH+]1 ZINC001160223958 964265453 /nfs/dbraw/zinc/26/54/53/964265453.db2.gz MVDQFFPGWPYHAF-UHFFFAOYSA-N 2 1 214.272 2.200 20 0 BEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H]2CF)CC1 ZINC001168330279 964465367 /nfs/dbraw/zinc/46/53/67/964465367.db2.gz ONOBEJLIUZAPKU-WXRRBKDZSA-N 2 1 228.355 2.293 20 0 BEADMP CCc1cccc(N[C@H]2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC001162401569 964959155 /nfs/dbraw/zinc/95/91/55/964959155.db2.gz LHQUZCDXSJRTCJ-PWSUYJOCSA-N 2 1 219.332 2.326 20 0 BEADMP Cc1cc(NC[C@H]2CCC[NH2+]C[C@@H]2C)nc(C)[nH+]1 ZINC001162454365 964983397 /nfs/dbraw/zinc/98/33/97/964983397.db2.gz OCTJQLNAONHOAQ-GXFFZTMASA-N 2 1 248.374 2.141 20 0 BEADMP Cc1ccc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)[nH+]c1 ZINC001162456292 964983586 /nfs/dbraw/zinc/98/35/86/964983586.db2.gz WDAAJGWWWIMNRS-STQMWFEESA-N 2 1 233.359 2.438 20 0 BEADMP Cc1c[nH+]c(Nc2ccc(C[NH3+])c(F)c2)c(N)c1 ZINC001162528807 965028040 /nfs/dbraw/zinc/02/80/40/965028040.db2.gz NUXZIJGHHQVLOU-UHFFFAOYSA-N 2 1 246.289 2.314 20 0 BEADMP Cc1cc2cc[nH+]c(NC[C@H]3C[NH2+][C@H](C)C3)c2[nH]1 ZINC001162554814 965043940 /nfs/dbraw/zinc/04/39/40/965043940.db2.gz IUDIEMOQMROQNB-MWLCHTKSSA-N 2 1 244.342 2.281 20 0 BEADMP F[C@H]1C[NH2+]CC[C@H]1CNc1cc(C2CC2)cc[nH+]1 ZINC001162804994 965187228 /nfs/dbraw/zinc/18/72/28/965187228.db2.gz DIYVZGNVHQJVTG-STQMWFEESA-N 2 1 249.333 2.319 20 0 BEADMP C1=C[C@H](Nc2cc(C3CC3)cc[nH+]2)[C@@H]2C[NH2+]C[C@H]12 ZINC001162797342 965188671 /nfs/dbraw/zinc/18/86/71/965188671.db2.gz MAWWJAJLYQYHRF-MJBXVCDLSA-N 2 1 241.338 2.145 20 0 BEADMP Cc1cc[nH+]c(C)c1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163266837 965319894 /nfs/dbraw/zinc/31/98/94/965319894.db2.gz CXCMJIPJPCOFER-AGIUHOORSA-N 2 1 231.343 2.108 20 0 BEADMP c1cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)[nH+]cc1C1CC1 ZINC001163267003 965322451 /nfs/dbraw/zinc/32/24/51/965322451.db2.gz HSTDLGIIANBCQO-RDBSUJKOSA-N 2 1 243.354 2.369 20 0 BEADMP CCCc1cc(NCC2([NH3+])CCC2)nc(C)[nH+]1 ZINC001163326444 965334186 /nfs/dbraw/zinc/33/41/86/965334186.db2.gz BQCVDPKUYPMOKS-UHFFFAOYSA-N 2 1 234.347 2.031 20 0 BEADMP CC(C)[N@@H+]1CC[C@H](Nc2[nH+]cccc2N)[C@@H](C)C1 ZINC001163361150 965360132 /nfs/dbraw/zinc/36/01/32/965360132.db2.gz HTRSBQWLLPMJPQ-AAEUAGOBSA-N 2 1 248.374 2.195 20 0 BEADMP CC(C)[N@H+]1CC[C@H](Nc2[nH+]cccc2N)[C@@H](C)C1 ZINC001163361150 965360141 /nfs/dbraw/zinc/36/01/41/965360141.db2.gz HTRSBQWLLPMJPQ-AAEUAGOBSA-N 2 1 248.374 2.195 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](Nc2cc(N)cc[nH+]2)[C@H](C)C1 ZINC001163356961 965362210 /nfs/dbraw/zinc/36/22/10/965362210.db2.gz HQBRJADVCVMUEN-DGCLKSJQSA-N 2 1 248.374 2.195 20 0 BEADMP CN(CCC[NH+](C)C)c1cc(C2CC2)cc[nH+]1 ZINC001163595997 965472830 /nfs/dbraw/zinc/47/28/30/965472830.db2.gz QGWZGUWOJFPDHI-UHFFFAOYSA-N 2 1 233.359 2.347 20 0 BEADMP Cc1cc(N[C@@H](C)C[NH+](C)C)c2[nH+]ccn2c1 ZINC001163776551 965582416 /nfs/dbraw/zinc/58/24/16/965582416.db2.gz DBVHUCYFLXYLQB-NSHDSACASA-N 2 1 232.331 2.005 20 0 BEADMP COC(=[NH2+])c1cccc(N[C@H](C)C[NH+](C)C)c1 ZINC001163782938 965589697 /nfs/dbraw/zinc/58/96/97/965589697.db2.gz UXWCDUZKAYUWPS-SNVBAGLBSA-N 2 1 235.331 2.020 20 0 BEADMP COc1cc(C)ccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205094826 965731926 /nfs/dbraw/zinc/73/19/26/965731926.db2.gz QWQHJNNUGYBZJH-AWEZNQCLSA-N 2 1 248.370 2.317 20 0 BEADMP CC(C)N(CCC[NH3+])c1[nH+]ccc2ccn(C)c21 ZINC001164121083 965743431 /nfs/dbraw/zinc/74/34/31/965743431.db2.gz FQFBMDBNUUYQCT-UHFFFAOYSA-N 2 1 246.358 2.137 20 0 BEADMP CC(C)N(CCC[NH3+])c1[nH+]ccc2cc[nH]c21 ZINC001164127450 965748733 /nfs/dbraw/zinc/74/87/33/965748733.db2.gz WSVHQGONJMJEMX-UHFFFAOYSA-N 2 1 232.331 2.127 20 0 BEADMP Cc1cc(O)cc(C)c1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205102895 965805032 /nfs/dbraw/zinc/80/50/32/965805032.db2.gz VUSDNDJPJBRPOZ-ZDUSSCGKSA-N 2 1 248.370 2.322 20 0 BEADMP COc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(C)c1 ZINC001205109696 965827740 /nfs/dbraw/zinc/82/77/40/965827740.db2.gz JLCMMIJMZAXLED-CQSZACIVSA-N 2 1 248.370 2.317 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205109544 965828700 /nfs/dbraw/zinc/82/87/00/965828700.db2.gz ICJIRGOMRKLWBL-CQSZACIVSA-N 2 1 236.334 2.447 20 0 BEADMP C[C@H](COc1ccccc1)[NH2+]C1CC[NH+](C)CC1 ZINC000699295095 965833051 /nfs/dbraw/zinc/83/30/51/965833051.db2.gz CIWGVWLUUSNEKP-CYBMUJFWSA-N 2 1 248.370 2.138 20 0 BEADMP Cc1cnc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(C)c1 ZINC001205124583 965896227 /nfs/dbraw/zinc/89/62/27/965896227.db2.gz VYLVMVWRHGEFDV-ZDUSSCGKSA-N 2 1 233.359 2.012 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])Cc1cncs1 ZINC000400364807 965948268 /nfs/dbraw/zinc/94/82/68/965948268.db2.gz PINFLLLRSWICMF-UHFFFAOYSA-N 2 1 227.377 2.094 20 0 BEADMP Cc1cc(C)[nH+]c(N(C)CC[NH+]2CCCC2)c1 ZINC001165139899 965969844 /nfs/dbraw/zinc/96/98/44/965969844.db2.gz NJVVLMNHOPTSHV-UHFFFAOYSA-N 2 1 233.359 2.230 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)CC1 ZINC001205171109 966203673 /nfs/dbraw/zinc/20/36/73/966203673.db2.gz KRNPMNNURRBRGZ-RFQIPJPRSA-N 2 1 222.376 2.400 20 0 BEADMP Cc1ccc(C[NH+]2CC(C)(C[NH3+])C2)cc1C ZINC001206712287 966264810 /nfs/dbraw/zinc/26/48/10/966264810.db2.gz ZGDJQOXVANXMCA-UHFFFAOYSA-N 2 1 218.344 2.084 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc2c1CCCC2 ZINC001236250975 966320997 /nfs/dbraw/zinc/32/09/97/966320997.db2.gz MXGONXADRXQJOA-OAHLLOKOSA-N 2 1 244.382 2.489 20 0 BEADMP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc2c1CCCC2 ZINC001236250975 966321010 /nfs/dbraw/zinc/32/10/10/966321010.db2.gz MXGONXADRXQJOA-OAHLLOKOSA-N 2 1 244.382 2.489 20 0 BEADMP Cc1ccc2[nH]cc(C[NH+]3CC(C)(C[NH3+])C3)c2c1 ZINC001206718206 966406428 /nfs/dbraw/zinc/40/64/28/966406428.db2.gz LYGWISIFVMWZED-UHFFFAOYSA-N 2 1 243.354 2.257 20 0 BEADMP Cc1cc(C2=CCC[NH2+]CC2)cn2cc[nH+]c12 ZINC001238945841 966799674 /nfs/dbraw/zinc/79/96/74/966799674.db2.gz UEQFBPMSBQUEPT-UHFFFAOYSA-N 2 1 227.311 2.410 20 0 BEADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccsc3)C[C@@H]2C1 ZINC001204046412 966866756 /nfs/dbraw/zinc/86/67/56/966866756.db2.gz XQDYAXUMLSOFKD-STQMWFEESA-N 2 1 236.384 2.132 20 0 BEADMP CC1=C[C@@H](C)[C@@H](C[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)CC1 ZINC001204904337 967226466 /nfs/dbraw/zinc/22/64/66/967226466.db2.gz OTAMWQZPMWRASK-MGPQQGTHSA-N 2 1 234.387 2.402 20 0 BEADMP CC1=C[C@@H](C)[C@@H](C[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)CC1 ZINC001204904337 967226478 /nfs/dbraw/zinc/22/64/78/967226478.db2.gz OTAMWQZPMWRASK-MGPQQGTHSA-N 2 1 234.387 2.402 20 0 BEADMP COc1ccccc1CC[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205058604 967315512 /nfs/dbraw/zinc/31/55/12/967315512.db2.gz OWUHZSUENMRZID-JSGCOSHPSA-N 2 1 248.370 2.049 20 0 BEADMP COc1ccccc1CC[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205058604 967315523 /nfs/dbraw/zinc/31/55/23/967315523.db2.gz OWUHZSUENMRZID-JSGCOSHPSA-N 2 1 248.370 2.049 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC001205064068 967315713 /nfs/dbraw/zinc/31/57/13/967315713.db2.gz GGRAXHDBYMQCOP-LRDDRELGSA-N 2 1 244.382 2.487 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc2c(c1)CCC2 ZINC001205064068 967315720 /nfs/dbraw/zinc/31/57/20/967315720.db2.gz GGRAXHDBYMQCOP-LRDDRELGSA-N 2 1 244.382 2.487 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1CCc1cccs1 ZINC001205064866 967322650 /nfs/dbraw/zinc/32/26/50/967322650.db2.gz YQKGRKHEUBBHNK-QWRGUYRKSA-N 2 1 224.373 2.102 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1CCc1cccs1 ZINC001205064866 967322663 /nfs/dbraw/zinc/32/26/63/967322663.db2.gz YQKGRKHEUBBHNK-QWRGUYRKSA-N 2 1 224.373 2.102 20 0 BEADMP C[C@H]1CC[C@@H](CN)[N@H+]1Cc1cccc(N(C)C)c1 ZINC001205076781 967325538 /nfs/dbraw/zinc/32/55/38/967325538.db2.gz WAFHYTUYHQCNQL-WFASDCNBSA-N 2 1 247.386 2.064 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccc(N(C)C)c1 ZINC001205076781 967325548 /nfs/dbraw/zinc/32/55/48/967325548.db2.gz WAFHYTUYHQCNQL-WFASDCNBSA-N 2 1 247.386 2.064 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccc(N(C)C)c1 ZINC001205076781 967325559 /nfs/dbraw/zinc/32/55/59/967325559.db2.gz WAFHYTUYHQCNQL-WFASDCNBSA-N 2 1 247.386 2.064 20 0 BEADMP COCc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2CN)cc1 ZINC001205076849 967327522 /nfs/dbraw/zinc/32/75/22/967327522.db2.gz XPLPNMOBHDHZQH-WFASDCNBSA-N 2 1 248.370 2.145 20 0 BEADMP COCc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205076849 967327531 /nfs/dbraw/zinc/32/75/31/967327531.db2.gz XPLPNMOBHDHZQH-WFASDCNBSA-N 2 1 248.370 2.145 20 0 BEADMP COCc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205076849 967327542 /nfs/dbraw/zinc/32/75/42/967327542.db2.gz XPLPNMOBHDHZQH-WFASDCNBSA-N 2 1 248.370 2.145 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)CC1 ZINC001205102933 967345922 /nfs/dbraw/zinc/34/59/22/967345922.db2.gz WRKWLVGPWNHADN-OAHLLOKOSA-N 2 1 246.354 2.030 20 0 BEADMP CNc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205123426 967369819 /nfs/dbraw/zinc/36/98/19/967369819.db2.gz AWNFMWWQLQLMPC-ZDUSSCGKSA-N 2 1 233.359 2.042 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc3c2CCC3)CC1 ZINC001205131366 967376739 /nfs/dbraw/zinc/37/67/39/967376739.db2.gz WCCATBLSPLFULH-OAHLLOKOSA-N 2 1 244.382 2.489 20 0 BEADMP COc1cc(C)ccc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205136081 967382900 /nfs/dbraw/zinc/38/29/00/967382900.db2.gz LVISNLAECUVBRZ-GXTWGEPZSA-N 2 1 248.370 2.030 20 0 BEADMP C[C@H]1C[N@@H+](Cc2cc3ccccc3[nH]2)C[C@H]1C[NH3+] ZINC001205135912 967384774 /nfs/dbraw/zinc/38/47/74/967384774.db2.gz GBPQPJUJZOSZRY-WCQYABFASA-N 2 1 243.354 2.195 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccc3[nH]ccc3c2)C[C@H]1C[NH3+] ZINC001205136334 967385167 /nfs/dbraw/zinc/38/51/67/967385167.db2.gz ZXEQBPCNTMMUHJ-SMDDNHRTSA-N 2 1 243.354 2.195 20 0 BEADMP COc1cccc(C)c1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205145863 967387503 /nfs/dbraw/zinc/38/75/03/967387503.db2.gz KTZBRQKMXLZXCO-QWHCGFSZSA-N 2 1 248.370 2.030 20 0 BEADMP Cc1cc(O)cc(C)c1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205140137 967389489 /nfs/dbraw/zinc/38/94/89/967389489.db2.gz ANSWKYYPFMBQKM-QWHCGFSZSA-N 2 1 248.370 2.036 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CCCc1ccc(F)cc1 ZINC001205171086 967412706 /nfs/dbraw/zinc/41/27/06/967412706.db2.gz JXHSKAOWDMIJAC-BXUZGUMPSA-N 2 1 236.334 2.180 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCCc1ccc(F)cc1 ZINC001205171086 967412710 /nfs/dbraw/zinc/41/27/10/967412710.db2.gz JXHSKAOWDMIJAC-BXUZGUMPSA-N 2 1 236.334 2.180 20 0 BEADMP C[C@]1([NH3+])CCC[N@@H+](CC2CCSCC2)CC1 ZINC001205255441 967446693 /nfs/dbraw/zinc/44/66/93/967446693.db2.gz IYPXSZXBYFTKJF-ZDUSSCGKSA-N 2 1 242.432 2.333 20 0 BEADMP C[C@]1([NH3+])CCC[N@@H+](CCCc2ccncc2)CC1 ZINC001205257522 967447313 /nfs/dbraw/zinc/44/73/13/967447313.db2.gz WFUIILQEJSQIHB-HNNXBMFYSA-N 2 1 247.386 2.218 20 0 BEADMP C[C@]1([NH3+])CCC[N@@H+](CCc2cccs2)CC1 ZINC001205256610 967447958 /nfs/dbraw/zinc/44/79/58/967447958.db2.gz QBKMDZRIPSONPX-ZDUSSCGKSA-N 2 1 238.400 2.494 20 0 BEADMP C[NH+](C)CCCc1c[nH+]cn1Cc1ccccc1 ZINC001250163580 967456371 /nfs/dbraw/zinc/45/63/71/967456371.db2.gz ACWHLYDZYUEPQK-UHFFFAOYSA-N 2 1 243.354 2.426 20 0 BEADMP CC/C=C\CC[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545680 967691745 /nfs/dbraw/zinc/69/17/45/967691745.db2.gz LRAUEKCSKLRDFR-SCOBNMCVSA-N 2 1 228.355 2.496 20 0 BEADMP Cc1ncccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205618428 967727490 /nfs/dbraw/zinc/72/74/90/967727490.db2.gz VWFXTYUPXJKEDL-OCCSQVGLSA-N 2 1 247.386 2.197 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)[nH]1 ZINC001205618227 967730089 /nfs/dbraw/zinc/73/00/89/967730089.db2.gz SVGJCILYBLAVRH-DGCLKSJQSA-N 2 1 235.375 2.130 20 0 BEADMP CC/C=C\CC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205735943 967809163 /nfs/dbraw/zinc/80/91/63/967809163.db2.gz SCXXNWBHHJOBKP-BYCRGOAPSA-N 2 1 232.318 2.259 20 0 BEADMP CS[C@H](C)CC[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205981710 967901311 /nfs/dbraw/zinc/90/13/11/967901311.db2.gz FWRPTWBQSGLAHA-UPJWGTAASA-N 2 1 244.448 2.435 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205981471 967926800 /nfs/dbraw/zinc/92/68/00/967926800.db2.gz DHSOUPLQCVPADU-RWMBFGLXSA-N 2 1 212.381 2.339 20 0 BEADMP Cc1cncc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001205993507 967948119 /nfs/dbraw/zinc/94/81/19/967948119.db2.gz HZDXHXGFXVERKA-DZGCQCFKSA-N 2 1 247.386 2.197 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)[nH]1 ZINC001205995475 967953613 /nfs/dbraw/zinc/95/36/13/967953613.db2.gz OIPQBBFNQYVEDB-DGCLKSJQSA-N 2 1 235.375 2.130 20 0 BEADMP Cc1c[nH]c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1C ZINC001206004361 967963068 /nfs/dbraw/zinc/96/30/68/967963068.db2.gz RWSGPBFJRVLWJX-TZMCWYRMSA-N 2 1 249.402 2.438 20 0 BEADMP C[N@@H+](CCOCC[NH3+])C1CCCCCCC1 ZINC000699527394 968086403 /nfs/dbraw/zinc/08/64/03/968086403.db2.gz HUABSAFCWDMMKG-UHFFFAOYSA-N 2 1 228.380 2.006 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206166777 968101378 /nfs/dbraw/zinc/10/13/78/968101378.db2.gz UVUGXABKFXYGCU-KBPBESRZSA-N 2 1 236.334 2.256 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206166777 968101391 /nfs/dbraw/zinc/10/13/91/968101391.db2.gz UVUGXABKFXYGCU-KBPBESRZSA-N 2 1 236.334 2.256 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](Cc2ccsc2)CC[C@H]1F ZINC001206165542 968101962 /nfs/dbraw/zinc/10/19/62/968101962.db2.gz NZLBXCQVXDDXJB-GHMZBOCLSA-N 2 1 228.336 2.009 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccsc2)CC[C@H]1F ZINC001206165542 968101969 /nfs/dbraw/zinc/10/19/69/968101969.db2.gz NZLBXCQVXDDXJB-GHMZBOCLSA-N 2 1 228.336 2.009 20 0 BEADMP Cc1cccc(CC[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205058950 968120904 /nfs/dbraw/zinc/12/09/04/968120904.db2.gz ZLEOXJNUYCCUSW-ZFWWWQNUSA-N 2 1 232.371 2.349 20 0 BEADMP Cc1cccc(CC[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205058950 968120913 /nfs/dbraw/zinc/12/09/13/968120913.db2.gz ZLEOXJNUYCCUSW-ZFWWWQNUSA-N 2 1 232.371 2.349 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[NH2+]C[C@@H]2C)cc1C ZINC001206257290 968176961 /nfs/dbraw/zinc/17/69/61/968176961.db2.gz AGPDXEHZXGNJII-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP Cc1ccc(C[N@@H+]2CCC[NH2+]C[C@@H]2C)cc1C ZINC001206257290 968176964 /nfs/dbraw/zinc/17/69/64/968176964.db2.gz AGPDXEHZXGNJII-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206295305 968199962 /nfs/dbraw/zinc/19/99/62/968199962.db2.gz MKAHFTZPPDOLCF-FRRDWIJNSA-N 2 1 210.365 2.093 20 0 BEADMP [NH3+]C[C@]1(F)CCCC[N@H+](CC2CCCC2)C1 ZINC001206335885 968241351 /nfs/dbraw/zinc/24/13/51/968241351.db2.gz HZMRZONFYFYKDU-CYBMUJFWSA-N 2 1 228.355 2.330 20 0 BEADMP [NH3+]C[C@]1(F)CCCC[N@@H+](CC2CCCC2)C1 ZINC001206335885 968241362 /nfs/dbraw/zinc/24/13/62/968241362.db2.gz HZMRZONFYFYKDU-CYBMUJFWSA-N 2 1 228.355 2.330 20 0 BEADMP Cn1c(Nc2cc[nH+]c(N)c2)[nH+]c2ccccc21 ZINC001206522094 968351482 /nfs/dbraw/zinc/35/14/82/968351482.db2.gz JHTWDDPGTREQDB-UHFFFAOYSA-N 2 1 239.282 2.294 20 0 BEADMP Cc1cn2cc(Nc3cc[nH+]c(N)c3)ccc2[nH+]1 ZINC001206534901 968359729 /nfs/dbraw/zinc/35/97/29/968359729.db2.gz CJSSVAALBJMQGS-UHFFFAOYSA-N 2 1 239.282 2.364 20 0 BEADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(O)cc2)C1 ZINC001206540132 968369611 /nfs/dbraw/zinc/36/96/11/968369611.db2.gz AKRXVNURBVSSSO-HNNXBMFYSA-N 2 1 248.370 2.343 20 0 BEADMP Cc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)ccn1 ZINC001206550221 968375583 /nfs/dbraw/zinc/37/55/83/968375583.db2.gz XVGNZZWQMLDTJC-HNNXBMFYSA-N 2 1 247.386 2.341 20 0 BEADMP Cc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cn1 ZINC001206555985 968381104 /nfs/dbraw/zinc/38/11/04/968381104.db2.gz LMEOVODWTCRCMC-OAHLLOKOSA-N 2 1 247.386 2.341 20 0 BEADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccccc2N)C1 ZINC001206575771 968393706 /nfs/dbraw/zinc/39/37/06/968393706.db2.gz YFNHFENTEPPMKS-HNNXBMFYSA-N 2 1 247.386 2.220 20 0 BEADMP C[C@@H](C[N@H+]1CCCC[C@H](C[NH3+])C1)C(F)(F)F ZINC001206606259 968416412 /nfs/dbraw/zinc/41/64/12/968416412.db2.gz IHCKOZFZPYFVED-VHSXEESVSA-N 2 1 238.297 2.246 20 0 BEADMP C[C@H]1CC[C@H]([N@@H+](C)C2CCC([NH3+])CC2)C1 ZINC000085869182 968506251 /nfs/dbraw/zinc/50/62/51/968506251.db2.gz GLRZLXGJJPLQRQ-WTIISPKJSA-N 2 1 210.365 2.377 20 0 BEADMP CN1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CCCC1)C2 ZINC001276514249 968688025 /nfs/dbraw/zinc/68/80/25/968688025.db2.gz WWDLNTDWMLKAGD-KGLIPLIRSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](CCC1CCCC1)C2 ZINC001276514249 968688028 /nfs/dbraw/zinc/68/80/28/968688028.db2.gz WWDLNTDWMLKAGD-KGLIPLIRSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](CCC1CCCC1)C2 ZINC001276514249 968688034 /nfs/dbraw/zinc/68/80/34/968688034.db2.gz WWDLNTDWMLKAGD-KGLIPLIRSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CCCC1)C2 ZINC001276514249 968688040 /nfs/dbraw/zinc/68/80/40/968688040.db2.gz WWDLNTDWMLKAGD-KGLIPLIRSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CCCC1)C2 ZINC001276514249 968688045 /nfs/dbraw/zinc/68/80/45/968688045.db2.gz WWDLNTDWMLKAGD-KGLIPLIRSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)C)C2(CC2)C1 ZINC001207288287 968715607 /nfs/dbraw/zinc/71/56/07/968715607.db2.gz MXLHNWUUZHPEEF-LBPRGKRZSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1C ZINC001207437008 968767612 /nfs/dbraw/zinc/76/76/12/968767612.db2.gz ZNZVGPDXXGLBPT-OLZOCXBDSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C[C@H]1C ZINC001207437007 968770837 /nfs/dbraw/zinc/77/08/37/968770837.db2.gz ZNZVGPDXXGLBPT-CHWSQXEVSA-N 2 1 224.392 2.354 20 0 BEADMP C[NH+]1CCC(CC[N@H+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC001207486005 968797832 /nfs/dbraw/zinc/79/78/32/968797832.db2.gz AQHRKQXHOLYTJN-UONOGXRCSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC(CC[N@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC001207480199 968799621 /nfs/dbraw/zinc/79/96/21/968799621.db2.gz WUBAJAZFTHGDKS-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP CC1(C)CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000829276673 968830000 /nfs/dbraw/zinc/83/00/00/968830000.db2.gz WSGWTXHCGSLCCI-CYBMUJFWSA-N 2 1 224.392 2.498 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]CC3(C)CCCC3)[C@H]2C1 ZINC001207843941 968899473 /nfs/dbraw/zinc/89/94/73/968899473.db2.gz JBODQXVWOWPHTJ-IHRRRGAJSA-N 2 1 236.403 2.497 20 0 BEADMP C[N@@H+]1CC=C(c2cccc3c2CC[NH2+]C3)CC1 ZINC001241322860 968972021 /nfs/dbraw/zinc/97/20/21/968972021.db2.gz UIDDWDJIPNOUTQ-UHFFFAOYSA-N 2 1 228.339 2.051 20 0 BEADMP C[N@@H+]1CC=C(c2cccc3c2C[NH2+]C3)CC1 ZINC001241327892 968979585 /nfs/dbraw/zinc/97/95/85/968979585.db2.gz UEWTYCIVYSBJGP-UHFFFAOYSA-N 2 1 214.312 2.009 20 0 BEADMP C[C@H]1CCC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208102989 969000703 /nfs/dbraw/zinc/00/07/03/969000703.db2.gz JCQUORITNTZYQW-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP CC1CC([N@@H+](C)CC2(C)CC[NH+](C)CC2)C1 ZINC001208106388 969002296 /nfs/dbraw/zinc/00/22/96/969002296.db2.gz DWTVSMPWQDYFHP-UHFFFAOYSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+]1CCC(C)(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC1 ZINC001208110085 969005996 /nfs/dbraw/zinc/00/59/96/969005996.db2.gz WOTQTKLWJTTWSV-AVGNSLFASA-N 2 1 240.366 2.151 20 0 BEADMP C[NH+]1CCC(C)(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)CC1 ZINC001208110434 969008172 /nfs/dbraw/zinc/00/81/72/969008172.db2.gz RSPORCQFCDEAGD-RWMBFGLXSA-N 2 1 240.366 2.008 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208110578 969010451 /nfs/dbraw/zinc/01/04/51/969010451.db2.gz WFOYGZHMJOAEEC-GFCCVEGCSA-N 2 1 212.381 2.449 20 0 BEADMP CS[C@H](C)CC[N@@H+](C)CCC[NH+](C)C ZINC001208136721 969043216 /nfs/dbraw/zinc/04/32/16/969043216.db2.gz CLOOSCBZDZFIPJ-LLVKDONJSA-N 2 1 218.410 2.012 20 0 BEADMP C[C@H]([NH3+])c1ccc(C2=CCC[N@@H+](C)C2)cc1 ZINC001241570394 969060143 /nfs/dbraw/zinc/06/01/43/969060143.db2.gz JGWDBADCMCTEQJ-NSHDSACASA-N 2 1 216.328 2.425 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccn2C2CC2)C1 ZINC001324424296 969079102 /nfs/dbraw/zinc/07/91/02/969079102.db2.gz JKDLCIUCHIRGIZ-ZDUSSCGKSA-N 2 1 247.386 2.254 20 0 BEADMP CC1=C[C@@H](C)[C@H](C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CC1 ZINC001208181610 969112950 /nfs/dbraw/zinc/11/29/50/969112950.db2.gz OKCOTTZFQXUUFF-QXSJWSMHSA-N 2 1 248.414 2.472 20 0 BEADMP CC1=C[C@@H](C)[C@H](C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CC1 ZINC001208181610 969112956 /nfs/dbraw/zinc/11/29/56/969112956.db2.gz OKCOTTZFQXUUFF-QXSJWSMHSA-N 2 1 248.414 2.472 20 0 BEADMP CC[N@@H+](CCOC)CC1(C[NH+](C)C)CCCC1 ZINC001208182013 969113466 /nfs/dbraw/zinc/11/34/66/969113466.db2.gz KIDMGCDMAHVOLQ-UHFFFAOYSA-N 2 1 242.407 2.077 20 0 BEADMP CC1=C[C@H](C)[C@H](C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CC1 ZINC001208181612 969113686 /nfs/dbraw/zinc/11/36/86/969113686.db2.gz OKCOTTZFQXUUFF-YHUYYLMFSA-N 2 1 248.414 2.472 20 0 BEADMP CC1=C[C@H](C)[C@H](C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CC1 ZINC001208181612 969113691 /nfs/dbraw/zinc/11/36/91/969113691.db2.gz OKCOTTZFQXUUFF-YHUYYLMFSA-N 2 1 248.414 2.472 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC1 ZINC001208600978 969158920 /nfs/dbraw/zinc/15/89/20/969158920.db2.gz ILVCRDHPZJGQDP-IHRRRGAJSA-N 2 1 240.366 2.151 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@@H]3CCCC[C@H]3C2)C1 ZINC001208608722 969163391 /nfs/dbraw/zinc/16/33/91/969163391.db2.gz WJGJKNNQKBKVAA-KKUMJFAQSA-N 2 1 236.403 2.450 20 0 BEADMP C[N@@H+]1CCC[C@H](C[NH+]2CCCCC23CC3)C1 ZINC001208614320 969173134 /nfs/dbraw/zinc/17/31/34/969173134.db2.gz CLYANLWYJYMPSB-ZDUSSCGKSA-N 2 1 222.376 2.347 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CCCCC23CC3)C1 ZINC001208614320 969173140 /nfs/dbraw/zinc/17/31/40/969173140.db2.gz CLYANLWYJYMPSB-ZDUSSCGKSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC[C@H](C[N@@H+]2CCCCC23CC3)C1 ZINC001208614320 969173144 /nfs/dbraw/zinc/17/31/44/969173144.db2.gz CLYANLWYJYMPSB-ZDUSSCGKSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC[C@H](C[N@H+]2CCCCC23CC3)C1 ZINC001208614320 969173149 /nfs/dbraw/zinc/17/31/49/969173149.db2.gz CLYANLWYJYMPSB-ZDUSSCGKSA-N 2 1 222.376 2.347 20 0 BEADMP Cc1cnccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205995735 969262328 /nfs/dbraw/zinc/26/23/28/969262328.db2.gz PSICHOYFJPVYRV-ZIAGYGMSSA-N 2 1 247.386 2.197 20 0 BEADMP CC[N@@H+](C[C@@H]1CCC=CO1)C1CCN(C)CC1 ZINC001208880131 969272640 /nfs/dbraw/zinc/27/26/40/969272640.db2.gz IVVMIGWXTDOWPJ-AWEZNQCLSA-N 2 1 238.375 2.095 20 0 BEADMP CC1C[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208946520 969312060 /nfs/dbraw/zinc/31/20/60/969312060.db2.gz HSGMGKVWQJZALZ-INIZCTEOSA-N 2 1 244.382 2.460 20 0 BEADMP C[N@H+](CCCc1ccncc1)C1CC[NH+](C)CC1 ZINC001209180673 969371568 /nfs/dbraw/zinc/37/15/68/969371568.db2.gz GHLSNJRSFBIMHH-UHFFFAOYSA-N 2 1 247.386 2.040 20 0 BEADMP C[N@@H+](CCCc1ccncc1)C1CC[NH+](C)CC1 ZINC001209180673 969371572 /nfs/dbraw/zinc/37/15/72/969371572.db2.gz GHLSNJRSFBIMHH-UHFFFAOYSA-N 2 1 247.386 2.040 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CC(F)(F)C1)C2 ZINC001169092833 969385712 /nfs/dbraw/zinc/38/57/12/969385712.db2.gz CTYZVGAQJSZEOA-ZSBIGDGJSA-N 2 1 244.329 2.247 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@H](F)CC1)C2 ZINC001169079663 969399471 /nfs/dbraw/zinc/39/94/71/969399471.db2.gz KIRXHLZLGCJSQN-RVOPOGNISA-N 2 1 240.366 2.482 20 0 BEADMP CCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169081027 969403002 /nfs/dbraw/zinc/40/30/02/969403002.db2.gz PGPQZTMZWGGYQT-CLLJXQQHSA-N 2 1 210.365 2.391 20 0 BEADMP Cc1cncc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169081780 969403101 /nfs/dbraw/zinc/40/31/01/969403101.db2.gz WIDICUQYCYVUSO-QKDCVEJESA-N 2 1 245.370 2.105 20 0 BEADMP Cc1cncc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169081780 969403103 /nfs/dbraw/zinc/40/31/03/969403103.db2.gz WIDICUQYCYVUSO-QKDCVEJESA-N 2 1 245.370 2.105 20 0 BEADMP CC(C)[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169080947 969403239 /nfs/dbraw/zinc/40/32/39/969403239.db2.gz NYAKOTKWVZUILG-ZDEQEGDKSA-N 2 1 210.365 2.246 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC(C)(C)C)C2 ZINC001169081733 969404751 /nfs/dbraw/zinc/40/47/51/969404751.db2.gz VNILNLNNHYLYEX-CNDDSTCGSA-N 2 1 210.365 2.247 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCSCC1)C2 ZINC001169092213 969411929 /nfs/dbraw/zinc/41/19/29/969411929.db2.gz ZYBXHPOQEWPRAR-XYYAHUGASA-N 2 1 240.416 2.097 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1C[C@@H]3CC[C@H]1C3)C2 ZINC001169119562 969414730 /nfs/dbraw/zinc/41/47/30/969414730.db2.gz UMDBHGFOFYKMFD-ZAQNNHEOSA-N 2 1 234.387 2.390 20 0 BEADMP C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H]1F ZINC001169124317 969419390 /nfs/dbraw/zinc/41/93/90/969419390.db2.gz CABNHTQWGRCVKF-RKQHYHRCSA-N 2 1 240.366 2.292 20 0 BEADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H]1F ZINC001169124317 969419394 /nfs/dbraw/zinc/41/93/94/969419394.db2.gz CABNHTQWGRCVKF-RKQHYHRCSA-N 2 1 240.366 2.292 20 0 BEADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H]1F ZINC001169124317 969419401 /nfs/dbraw/zinc/41/94/01/969419401.db2.gz CABNHTQWGRCVKF-RKQHYHRCSA-N 2 1 240.366 2.292 20 0 BEADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1F ZINC001169124317 969419405 /nfs/dbraw/zinc/41/94/05/969419405.db2.gz CABNHTQWGRCVKF-RKQHYHRCSA-N 2 1 240.366 2.292 20 0 BEADMP CCCC[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123378 969420186 /nfs/dbraw/zinc/42/01/86/969420186.db2.gz KKASQUFGLFUGLX-ITGUQSILSA-N 2 1 210.365 2.344 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H](F)CC1)C2 ZINC001169124920 969424126 /nfs/dbraw/zinc/42/41/26/969424126.db2.gz HDTROSXKIQMMOY-IGQOVBAYSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](F)CC1)C2 ZINC001169124920 969424134 /nfs/dbraw/zinc/42/41/34/969424134.db2.gz HDTROSXKIQMMOY-IGQOVBAYSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H](F)CC1)C2 ZINC001169124920 969424139 /nfs/dbraw/zinc/42/41/39/969424139.db2.gz HDTROSXKIQMMOY-IGQOVBAYSA-N 2 1 240.366 2.436 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@](C)(F)C1)C2 ZINC001169126068 969426158 /nfs/dbraw/zinc/42/61/58/969426158.db2.gz OPUPAIWOSSYJOH-DGAVXFQQSA-N 2 1 240.366 2.436 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@](C)(F)C1)C2 ZINC001169126068 969426163 /nfs/dbraw/zinc/42/61/63/969426163.db2.gz OPUPAIWOSSYJOH-DGAVXFQQSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@](C)(F)C1)C2 ZINC001169126068 969426166 /nfs/dbraw/zinc/42/61/66/969426166.db2.gz OPUPAIWOSSYJOH-DGAVXFQQSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@](C)(F)C1)C2 ZINC001169126068 969426171 /nfs/dbraw/zinc/42/61/71/969426171.db2.gz OPUPAIWOSSYJOH-DGAVXFQQSA-N 2 1 240.366 2.436 20 0 BEADMP CC[N@H+](C1CC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125778 969427560 /nfs/dbraw/zinc/42/75/60/969427560.db2.gz LENVIXQTYZSONT-ITGUQSILSA-N 2 1 208.349 2.096 20 0 BEADMP CC[N@@H+](C1CC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125778 969427567 /nfs/dbraw/zinc/42/75/67/969427567.db2.gz LENVIXQTYZSONT-ITGUQSILSA-N 2 1 208.349 2.096 20 0 BEADMP CC[NH+](C1CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169125778 969427573 /nfs/dbraw/zinc/42/75/73/969427573.db2.gz LENVIXQTYZSONT-ITGUQSILSA-N 2 1 208.349 2.096 20 0 BEADMP CC[NH+](C1CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125778 969427583 /nfs/dbraw/zinc/42/75/83/969427583.db2.gz LENVIXQTYZSONT-ITGUQSILSA-N 2 1 208.349 2.096 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@H](F)C1)C2 ZINC001169126563 969432800 /nfs/dbraw/zinc/43/28/00/969432800.db2.gz WJMJAGXIPJWLHS-IGQOVBAYSA-N 2 1 240.366 2.436 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@H](F)C1)C2 ZINC001169126563 969432810 /nfs/dbraw/zinc/43/28/10/969432810.db2.gz WJMJAGXIPJWLHS-IGQOVBAYSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC[C@H](F)C1)C2 ZINC001169126563 969432814 /nfs/dbraw/zinc/43/28/14/969432814.db2.gz WJMJAGXIPJWLHS-IGQOVBAYSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC[C@H](F)C1)C2 ZINC001169126563 969432823 /nfs/dbraw/zinc/43/28/23/969432823.db2.gz WJMJAGXIPJWLHS-IGQOVBAYSA-N 2 1 240.366 2.436 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(F)CC1)C2 ZINC001169126243 969433145 /nfs/dbraw/zinc/43/31/45/969433145.db2.gz QNUIMNGMSDQKSB-CLLJXQQHSA-N 2 1 226.339 2.046 20 0 BEADMP CC[C@@H](C)[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169130910 969437371 /nfs/dbraw/zinc/43/73/71/969437371.db2.gz PWAGAJCAABTMGH-NDBYEHHHSA-N 2 1 210.365 2.342 20 0 BEADMP CC[C@@H](C)[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169130910 969437378 /nfs/dbraw/zinc/43/73/78/969437378.db2.gz PWAGAJCAABTMGH-NDBYEHHHSA-N 2 1 210.365 2.342 20 0 BEADMP CC[C@@H](C)[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169130910 969437383 /nfs/dbraw/zinc/43/73/83/969437383.db2.gz PWAGAJCAABTMGH-NDBYEHHHSA-N 2 1 210.365 2.342 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC3)CC1)C2 ZINC001169131593 969441631 /nfs/dbraw/zinc/44/16/31/969441631.db2.gz WGJJHWCDGTUHLV-WDNDVIMCSA-N 2 1 234.387 2.488 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC3)CC1)C2 ZINC001169131593 969441642 /nfs/dbraw/zinc/44/16/42/969441642.db2.gz WGJJHWCDGTUHLV-WDNDVIMCSA-N 2 1 234.387 2.488 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC(C)(C)C1)C2 ZINC001169139378 969450225 /nfs/dbraw/zinc/45/02/25/969450225.db2.gz BNKRUECPPNNYTB-CLLJXQQHSA-N 2 1 222.376 2.344 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C)(C)C1)C2 ZINC001169139378 969450222 /nfs/dbraw/zinc/45/02/22/969450222.db2.gz BNKRUECPPNNYTB-CLLJXQQHSA-N 2 1 222.376 2.344 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC(C)(C)C1)C2 ZINC001169139378 969450223 /nfs/dbraw/zinc/45/02/23/969450223.db2.gz BNKRUECPPNNYTB-CLLJXQQHSA-N 2 1 222.376 2.344 20 0 BEADMP CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C)C(C)(C)C)C2 ZINC001169141824 969457963 /nfs/dbraw/zinc/45/79/63/969457963.db2.gz YBFSFECCXNSBCN-ZSBIGDGJSA-N 2 1 210.365 2.342 20 0 BEADMP C[N@H+]([C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C)C(C)(C)C ZINC001169141824 969457971 /nfs/dbraw/zinc/45/79/71/969457971.db2.gz YBFSFECCXNSBCN-ZSBIGDGJSA-N 2 1 210.365 2.342 20 0 BEADMP C[N@@H+]([C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C)C(C)(C)C ZINC001169141824 969457982 /nfs/dbraw/zinc/45/79/82/969457982.db2.gz YBFSFECCXNSBCN-ZSBIGDGJSA-N 2 1 210.365 2.342 20 0 BEADMP C[NH+]([C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)(C)C ZINC001169141824 969457996 /nfs/dbraw/zinc/45/79/96/969457996.db2.gz YBFSFECCXNSBCN-ZSBIGDGJSA-N 2 1 210.365 2.342 20 0 BEADMP C[NH+]([C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC001169141824 969458012 /nfs/dbraw/zinc/45/80/12/969458012.db2.gz YBFSFECCXNSBCN-ZSBIGDGJSA-N 2 1 210.365 2.342 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H](CF)C1)C2 ZINC001169142799 969458862 /nfs/dbraw/zinc/45/88/62/969458862.db2.gz VXSKCKDKLRTOTK-YIYPIFLZSA-N 2 1 240.366 2.293 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H](CF)C1)C2 ZINC001169142799 969458869 /nfs/dbraw/zinc/45/88/69/969458869.db2.gz VXSKCKDKLRTOTK-YIYPIFLZSA-N 2 1 240.366 2.293 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001169148804 969464695 /nfs/dbraw/zinc/46/46/95/969464695.db2.gz ZYEKXHQZHWDBHH-KYGRNUTJSA-N 2 1 234.387 2.199 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001169148804 969464704 /nfs/dbraw/zinc/46/47/04/969464704.db2.gz ZYEKXHQZHWDBHH-KYGRNUTJSA-N 2 1 234.387 2.199 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001169148804 969464711 /nfs/dbraw/zinc/46/47/11/969464711.db2.gz ZYEKXHQZHWDBHH-KYGRNUTJSA-N 2 1 234.387 2.199 20 0 BEADMP CC[C@@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169143140 969466337 /nfs/dbraw/zinc/46/63/37/969466337.db2.gz YFNNESGIUXTJBM-YIYPIFLZSA-N 2 1 222.376 2.486 20 0 BEADMP CC[C@@H]1CCC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169143140 969466343 /nfs/dbraw/zinc/46/63/43/969466343.db2.gz YFNNESGIUXTJBM-YIYPIFLZSA-N 2 1 222.376 2.486 20 0 BEADMP CC[C@@H]1CCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169143140 969466352 /nfs/dbraw/zinc/46/63/52/969466352.db2.gz YFNNESGIUXTJBM-YIYPIFLZSA-N 2 1 222.376 2.486 20 0 BEADMP CC[C@@H]1CCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169143140 969466358 /nfs/dbraw/zinc/46/63/58/969466358.db2.gz YFNNESGIUXTJBM-YIYPIFLZSA-N 2 1 222.376 2.486 20 0 BEADMP CC[C@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169143137 969466379 /nfs/dbraw/zinc/46/63/79/969466379.db2.gz YFNNESGIUXTJBM-FQUUOJAGSA-N 2 1 222.376 2.486 20 0 BEADMP CC[C@H]1CCC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169143137 969466383 /nfs/dbraw/zinc/46/63/83/969466383.db2.gz YFNNESGIUXTJBM-FQUUOJAGSA-N 2 1 222.376 2.486 20 0 BEADMP CC[NH+]1CCC([NH2+]C(C)(C)C2CC2)CC1 ZINC001169220874 969487484 /nfs/dbraw/zinc/48/74/84/969487484.db2.gz XFIUBTLTXMYLFS-UHFFFAOYSA-N 2 1 210.365 2.249 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](F)CC2)CC1 ZINC001169220312 969490438 /nfs/dbraw/zinc/49/04/38/969490438.db2.gz KOWDYMWYHLAPMH-TXEJJXNPSA-N 2 1 228.355 2.341 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(N)cc2)CC1 ZINC001169230158 969503606 /nfs/dbraw/zinc/50/36/06/969503606.db2.gz UKVHUPMPBSGNAL-GFCCVEGCSA-N 2 1 247.386 2.404 20 0 BEADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CC2(C)C)CC1 ZINC001169264566 969520160 /nfs/dbraw/zinc/52/01/60/969520160.db2.gz IHPBWVHNJYECJH-LBPRGKRZSA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CC2(C)C)CC1 ZINC001169264566 969520167 /nfs/dbraw/zinc/52/01/67/969520167.db2.gz IHPBWVHNJYECJH-LBPRGKRZSA-N 2 1 224.392 2.449 20 0 BEADMP CCN1CCC([N@H+]2CCC[C@@H](F)CC2)CC1 ZINC001169246287 969533916 /nfs/dbraw/zinc/53/39/16/969533916.db2.gz SEJVBZJXNRQYHB-GFCCVEGCSA-N 2 1 228.355 2.295 20 0 BEADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](F)CC2)CC1 ZINC001169246287 969533926 /nfs/dbraw/zinc/53/39/26/969533926.db2.gz SEJVBZJXNRQYHB-GFCCVEGCSA-N 2 1 228.355 2.295 20 0 BEADMP CC[NH+]1CCC([N@H+]2CCC[C@@H](F)CC2)CC1 ZINC001169246287 969533934 /nfs/dbraw/zinc/53/39/34/969533934.db2.gz SEJVBZJXNRQYHB-GFCCVEGCSA-N 2 1 228.355 2.295 20 0 BEADMP CC[NH+]1CCC([NH+]2CCC(SC)CC2)CC1 ZINC001169258974 969546984 /nfs/dbraw/zinc/54/69/84/969546984.db2.gz WVZBUWRINLKEQD-UHFFFAOYSA-N 2 1 242.432 2.298 20 0 BEADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001209728117 969582081 /nfs/dbraw/zinc/58/20/81/969582081.db2.gz CVFZKXAUAFURLY-NWDGAFQWSA-N 2 1 231.343 2.116 20 0 BEADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001209728117 969582085 /nfs/dbraw/zinc/58/20/85/969582085.db2.gz CVFZKXAUAFURLY-NWDGAFQWSA-N 2 1 231.343 2.116 20 0 BEADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001209728119 969582590 /nfs/dbraw/zinc/58/25/90/969582590.db2.gz CVFZKXAUAFURLY-RYUDHWBXSA-N 2 1 231.343 2.116 20 0 BEADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001209728119 969582598 /nfs/dbraw/zinc/58/25/98/969582598.db2.gz CVFZKXAUAFURLY-RYUDHWBXSA-N 2 1 231.343 2.116 20 0 BEADMP [NH3+]CCC[C@@H]1CCCC[N@H+]([C@@H]2CCCOC2)C1 ZINC001254376268 969590777 /nfs/dbraw/zinc/59/07/77/969590777.db2.gz WSHQLFDGDASRQL-UONOGXRCSA-N 2 1 240.391 2.006 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+]CCc2cccc(O)c2)CC1 ZINC001254499327 969660314 /nfs/dbraw/zinc/66/03/14/969660314.db2.gz CSTFWHRAVDGQSD-AWEZNQCLSA-N 2 1 248.370 2.009 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC001254502596 969667545 /nfs/dbraw/zinc/66/75/45/969667545.db2.gz GSRQPTMSBXOFLW-RFQIPJPRSA-N 2 1 222.376 2.249 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+]CCc2ccccc2O)CC1 ZINC001254506021 969674973 /nfs/dbraw/zinc/67/49/73/969674973.db2.gz NOMATPGOACHDRN-CQSZACIVSA-N 2 1 248.370 2.009 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2Cc3ccccc3C2)CC1 ZINC001254517287 969697812 /nfs/dbraw/zinc/69/78/12/969697812.db2.gz UAKUVHOZBPAMSB-OAHLLOKOSA-N 2 1 230.355 2.487 20 0 BEADMP C[N@@H+](CC(C)(C)C)[C@H]1CCC[NH+](C)CC1 ZINC001254523687 969713433 /nfs/dbraw/zinc/71/34/33/969713433.db2.gz QVTYGWSSWCFDPA-LBPRGKRZSA-N 2 1 212.381 2.449 20 0 BEADMP C[NH+](CC(C)(C)C)[C@H]1CCC[N@H+](C)CC1 ZINC001254523687 969713440 /nfs/dbraw/zinc/71/34/40/969713440.db2.gz QVTYGWSSWCFDPA-LBPRGKRZSA-N 2 1 212.381 2.449 20 0 BEADMP C[NH+](CC(C)(C)C)[C@H]1CCC[N@@H+](C)CC1 ZINC001254523687 969713453 /nfs/dbraw/zinc/71/34/53/969713453.db2.gz QVTYGWSSWCFDPA-LBPRGKRZSA-N 2 1 212.381 2.449 20 0 BEADMP C[NH2+]Cc1cccc(N[C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001254526998 969717502 /nfs/dbraw/zinc/71/75/02/969717502.db2.gz VJLRYGQSVZKQPM-CQSZACIVSA-N 2 1 247.386 2.302 20 0 BEADMP Cn1ccc2cc[nH+]c(NCC[C@H]3CCC[NH2+]3)c21 ZINC001169563269 969758246 /nfs/dbraw/zinc/75/82/46/969758246.db2.gz YQUGXZCHHDOPNQ-GFCCVEGCSA-N 2 1 244.342 2.127 20 0 BEADMP COC(=[NH2+])c1cccc(NCC[C@H]2CCC[NH2+]2)c1 ZINC001169566781 969762924 /nfs/dbraw/zinc/76/29/24/969762924.db2.gz CIWPBOYSJQLSGS-GFCCVEGCSA-N 2 1 247.342 2.212 20 0 BEADMP [NH3+]CCC[C@H]1CCCC[N@H+](C2CCOCC2)C1 ZINC001255038247 969860187 /nfs/dbraw/zinc/86/01/87/969860187.db2.gz IRPMVIWHGYXELM-CYBMUJFWSA-N 2 1 240.391 2.006 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc[nH]c1 ZINC000290492830 969884168 /nfs/dbraw/zinc/88/41/68/969884168.db2.gz ORUMJYHPSORNJV-UHFFFAOYSA-N 2 1 223.364 2.178 20 0 BEADMP CC[N@@H+](CCn1ccnc1)C1CCSCC1 ZINC001255094510 969932693 /nfs/dbraw/zinc/93/26/93/969932693.db2.gz DSQNXZDKEFKFKF-UHFFFAOYSA-N 2 1 239.388 2.101 20 0 BEADMP C[N@H+]1CCC[C@H](n2ccc3cccc(C[NH3+])c32)C1 ZINC001255474680 970206478 /nfs/dbraw/zinc/20/64/78/970206478.db2.gz HYMVWTKXLSWBOW-AWEZNQCLSA-N 2 1 243.354 2.367 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001170098024 970269886 /nfs/dbraw/zinc/26/98/86/970269886.db2.gz JSPHJAIIQVNIML-XHJNMGKDSA-N 2 1 222.376 2.390 20 0 BEADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CC[C@H](C)C1 ZINC001170098447 970278336 /nfs/dbraw/zinc/27/83/36/970278336.db2.gz RVPNLULJLGRCLN-ONGXEEELSA-N 2 1 207.321 2.054 20 0 BEADMP C[C@@H]1CC[C@H](n2cc[nH+]c2CCC[NH3+])C1 ZINC001170124667 970361113 /nfs/dbraw/zinc/36/11/13/970361113.db2.gz HBFOPXJUZMILIC-MNOVXSKESA-N 2 1 207.321 2.136 20 0 BEADMP C[C@H]([NH3+])c1ccn(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001255668891 970448926 /nfs/dbraw/zinc/44/89/26/970448926.db2.gz OUWSTKBOCHXQDI-ACJTYDJDSA-N 2 1 248.374 2.091 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)C1 ZINC001170156343 970481094 /nfs/dbraw/zinc/48/10/94/970481094.db2.gz DJSWOKWRQIJQAF-AAVRWANBSA-N 2 1 222.376 2.059 20 0 BEADMP Cc1ccc(C[C@H](C)[NH2+]C2(C[NH3+])CC2)cc1 ZINC001255785281 970486723 /nfs/dbraw/zinc/48/67/23/970486723.db2.gz ZNEJMWPEXGEWAR-LBPRGKRZSA-N 2 1 218.344 2.007 20 0 BEADMP Cc1ncc(C[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)s1 ZINC000400031341 970543600 /nfs/dbraw/zinc/54/36/00/970543600.db2.gz FSZMWKXPMVUDHW-MNOVXSKESA-N 2 1 239.388 2.011 20 0 BEADMP CC[C@@H]1C[C@H]([N@@H+](CCC[NH3+])C(C)C)CCO1 ZINC001170171044 970544921 /nfs/dbraw/zinc/54/49/21/970544921.db2.gz OOUKXELEWBAUAR-CHWSQXEVSA-N 2 1 228.380 2.003 20 0 BEADMP CSC[C@H]1CCC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000400130855 970548115 /nfs/dbraw/zinc/54/81/15/970548115.db2.gz SBEGGUXVCUMSGP-OLZOCXBDSA-N 2 1 242.432 2.204 20 0 BEADMP CSC[C@@H]1CCC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000400130861 970551403 /nfs/dbraw/zinc/55/14/03/970551403.db2.gz SBEGGUXVCUMSGP-STQMWFEESA-N 2 1 242.432 2.204 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CCO[C@@H](CC)C1 ZINC001170172491 970565891 /nfs/dbraw/zinc/56/58/91/970565891.db2.gz ZQBJNKWRRPRBPD-OLZOCXBDSA-N 2 1 228.380 2.005 20 0 BEADMP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)CCO1 ZINC001170171620 970565938 /nfs/dbraw/zinc/56/59/38/970565938.db2.gz UDTRZWWFLCSWJE-HZSPNIEDSA-N 2 1 240.391 2.018 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cccnc1 ZINC001255939771 970572148 /nfs/dbraw/zinc/57/21/48/970572148.db2.gz JLUCPIADDSKYNL-ZDUSSCGKSA-N 2 1 235.375 2.292 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC001255955498 970586457 /nfs/dbraw/zinc/58/64/57/970586457.db2.gz AISVVQZQAAOPFB-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCCO[C@H](C)C1 ZINC001255955498 970586466 /nfs/dbraw/zinc/58/64/66/970586466.db2.gz AISVVQZQAAOPFB-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H](C(C)=O)C1 ZINC001255970313 970607254 /nfs/dbraw/zinc/60/72/54/970607254.db2.gz CBCNVPUKLKQONW-GXTWGEPZSA-N 2 1 240.391 2.018 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H](C(C)=O)C1 ZINC001255970313 970607263 /nfs/dbraw/zinc/60/72/63/970607263.db2.gz CBCNVPUKLKQONW-GXTWGEPZSA-N 2 1 240.391 2.018 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)CCSC ZINC001255972110 970607276 /nfs/dbraw/zinc/60/72/76/970607276.db2.gz NLQWVAUMINCWIO-LBPRGKRZSA-N 2 1 232.437 2.402 20 0 BEADMP CC[C@H]1C[C@H]([N@@H+](CC)CCC[NH+](C)C)CCO1 ZINC001170238946 970618031 /nfs/dbraw/zinc/61/80/31/970618031.db2.gz LJMXGNAMYNBNQR-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP C1CC1[NH+]1CCC([N@@H+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC001256080504 970646883 /nfs/dbraw/zinc/64/68/83/970646883.db2.gz XYPVMVOLBOTFFC-SMDDNHRTSA-N 2 1 220.360 2.098 20 0 BEADMP C1CC1[NH+]1CCC([N@H+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC001256080504 970646890 /nfs/dbraw/zinc/64/68/90/970646890.db2.gz XYPVMVOLBOTFFC-SMDDNHRTSA-N 2 1 220.360 2.098 20 0 BEADMP Cc1c(F)cccc1C[NH2+]C1CC[NH+](C)CC1 ZINC001256196694 970688499 /nfs/dbraw/zinc/68/84/99/970688499.db2.gz VOXHVDMKXJLCAR-UHFFFAOYSA-N 2 1 236.334 2.318 20 0 BEADMP Cc1cc(F)cc(C[NH2+]C2CC[NH+](C)CC2)c1 ZINC001256196703 970690043 /nfs/dbraw/zinc/69/00/43/970690043.db2.gz VYFPLMTZFXMACO-UHFFFAOYSA-N 2 1 236.334 2.318 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC001256197796 970692523 /nfs/dbraw/zinc/69/25/23/970692523.db2.gz SLPDFVNOGXVMHS-GJZGRUSLSA-N 2 1 248.345 2.365 20 0 BEADMP C[NH+]1CCC([NH2+]CC(C)(C)CC2CC2)CC1 ZINC001256199892 970693939 /nfs/dbraw/zinc/69/39/39/970693939.db2.gz YIDDTRKDVKPIEZ-UHFFFAOYSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH+]1CCC([NH2+]C(C)(C)Cc2ccncc2)CC1 ZINC001256199149 970694703 /nfs/dbraw/zinc/69/47/03/970694703.db2.gz JQRMXODVDBPATA-UHFFFAOYSA-N 2 1 247.386 2.087 20 0 BEADMP C[NH+]1CCC([NH2+]Cc2ccc3ncoc3c2)CC1 ZINC001256199539 970696285 /nfs/dbraw/zinc/69/62/85/970696285.db2.gz DHLMWBJOSGUMAV-UHFFFAOYSA-N 2 1 245.326 2.012 20 0 BEADMP C[C@H]1CCCCC[N@H+]1C1CCN(C)CC1 ZINC001256207927 970708869 /nfs/dbraw/zinc/70/88/69/970708869.db2.gz RVNGLNWCQFSYFQ-LBPRGKRZSA-N 2 1 210.365 2.345 20 0 BEADMP CCC[N@@H+](CC(C)C)C1CCN(C)CC1 ZINC001256210518 970717170 /nfs/dbraw/zinc/71/71/70/970717170.db2.gz JMEHVJKMVDQUQJ-UHFFFAOYSA-N 2 1 212.381 2.449 20 0 BEADMP CCCCC[C@@H](C)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246545987 972658936 /nfs/dbraw/zinc/65/89/36/972658936.db2.gz XUBJYZWDTIIYLM-ZIAGYGMSSA-N 2 1 242.407 2.131 20 0 BEADMP CCOCC[C@H](C)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246548014 972678279 /nfs/dbraw/zinc/67/82/79/972678279.db2.gz DXPWUPNHGZJTIH-STQMWFEESA-N 2 1 228.380 2.005 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CCC[C@](C)([NH3+])CC2)C1 ZINC001246549979 972704437 /nfs/dbraw/zinc/70/44/37/972704437.db2.gz IXCDXLRHZATUQO-UPJWGTAASA-N 2 1 210.365 2.378 20 0 BEADMP C[C@@H]1CC([N@H+]2CCC[C@@](C)([NH3+])CC2)C[C@@H](C)O1 ZINC001246550605 972709709 /nfs/dbraw/zinc/70/97/09/972709709.db2.gz JNKCTQURIROZRE-YRGRVCCFSA-N 2 1 240.391 2.146 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCCc2occc21 ZINC001327840663 972755163 /nfs/dbraw/zinc/75/51/63/972755163.db2.gz RJIFHZFSWAQVGK-ZYHUDNBSSA-N 2 1 222.332 2.245 20 0 BEADMP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001327856898 972758847 /nfs/dbraw/zinc/75/88/47/972758847.db2.gz VNAMCQGJVMDLLZ-QQUHWDOBSA-N 2 1 234.318 2.003 20 0 BEADMP CCC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246562885 972784956 /nfs/dbraw/zinc/78/49/56/972784956.db2.gz BQVAXCISEYNAQT-FRRDWIJNSA-N 2 1 212.381 2.482 20 0 BEADMP CCC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246562877 972789729 /nfs/dbraw/zinc/78/97/29/972789729.db2.gz BQVAXCISEYNAQT-AVGNSLFASA-N 2 1 212.381 2.482 20 0 BEADMP CCCCc1nc(NCC(C)(C)[NH3+])cc(C)[nH+]1 ZINC001171190778 972838332 /nfs/dbraw/zinc/83/83/32/972838332.db2.gz BAJKJIYBKKAEFF-UHFFFAOYSA-N 2 1 236.363 2.277 20 0 BEADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@@H]2CCCOCC2)CC1 ZINC001246574621 972870065 /nfs/dbraw/zinc/87/00/65/972870065.db2.gz IIBSCVFZIZNWKB-ZIAGYGMSSA-N 2 1 240.391 2.006 20 0 BEADMP C[C@@H](Cc1ccncc1)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246590585 972997141 /nfs/dbraw/zinc/99/71/41/972997141.db2.gz HHTRHMIAFNEUCN-ZFWWWQNUSA-N 2 1 247.386 2.073 20 0 BEADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001246594971 973007049 /nfs/dbraw/zinc/00/70/49/973007049.db2.gz WWVVEEDDQJDVLW-XGFWRYKXSA-N 2 1 236.403 2.480 20 0 BEADMP CC1(C)C[C@@H]([N@H+]2CCCC[C@](C)(C[NH3+])C2)CO1 ZINC001246597878 973011589 /nfs/dbraw/zinc/01/15/89/973011589.db2.gz YODAFBONJYWHFO-TZMCWYRMSA-N 2 1 240.391 2.005 20 0 BEADMP C1[C@@H]2C[C@H]([N@H+]3CCC[C@@]34CCC[NH2+]C4)C[C@H]12 ZINC001246605950 973023824 /nfs/dbraw/zinc/02/38/24/973023824.db2.gz CZAMZKQOJJLUEE-ZOBORPQBSA-N 2 1 220.360 2.003 20 0 BEADMP CSC(C)(C)C[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246637848 973053392 /nfs/dbraw/zinc/05/33/92/973053392.db2.gz LFVDUOUSWVPBLZ-QJPTWQEYSA-N 2 1 242.432 2.343 20 0 BEADMP CSC(C)(C)C[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246637848 973053410 /nfs/dbraw/zinc/05/34/10/973053410.db2.gz LFVDUOUSWVPBLZ-QJPTWQEYSA-N 2 1 242.432 2.343 20 0 BEADMP C[C@H]1CC([N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)C[C@H](C)C1 ZINC001246658232 973070226 /nfs/dbraw/zinc/07/02/26/973070226.db2.gz PTIXQQFTQWEXDV-BHPKHCPMSA-N 2 1 236.403 2.495 20 0 BEADMP COCC[C@@H]1CCCC[N@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246781045 973089159 /nfs/dbraw/zinc/08/91/59/973089159.db2.gz DBLNNVGKJGDULP-RDBSUJKOSA-N 2 1 240.391 2.018 20 0 BEADMP COCC[C@H]1CCCC[N@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246781041 973092037 /nfs/dbraw/zinc/09/20/37/973092037.db2.gz DBLNNVGKJGDULP-MGPQQGTHSA-N 2 1 240.391 2.018 20 0 BEADMP CCCCC[C@H](CC)[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246866009 973208137 /nfs/dbraw/zinc/20/81/37/973208137.db2.gz DROMRVAZDMTHJH-FRRDWIJNSA-N 2 1 210.365 2.378 20 0 BEADMP CCCCC[C@H](CC)[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246866009 973208154 /nfs/dbraw/zinc/20/81/54/973208154.db2.gz DROMRVAZDMTHJH-FRRDWIJNSA-N 2 1 210.365 2.378 20 0 BEADMP [NH3+][C@@H](C[NH2+]Cc1ccc2c(c1)CCC2)C1CC1 ZINC001328679729 973267014 /nfs/dbraw/zinc/26/70/14/973267014.db2.gz ABZPTGIOQRKCBP-HNNXBMFYSA-N 2 1 230.355 2.002 20 0 BEADMP CCC[C@H](CC)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246935409 973608614 /nfs/dbraw/zinc/60/86/14/973608614.db2.gz VDCBVLSCNVUNNM-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cccc2c1CC[C@H]([NH2+]C(C)(C)C[NH3+])C2 ZINC001171552474 974098945 /nfs/dbraw/zinc/09/89/45/974098945.db2.gz WYSVWKBYNJYHDZ-ZDUSSCGKSA-N 2 1 232.371 2.179 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206154542 974330945 /nfs/dbraw/zinc/33/09/45/974330945.db2.gz JUUWNNJTSDSIOW-UONOGXRCSA-N 2 1 236.334 2.256 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206154542 974330951 /nfs/dbraw/zinc/33/09/51/974330951.db2.gz JUUWNNJTSDSIOW-UONOGXRCSA-N 2 1 236.334 2.256 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](Cc2cccc(F)c2)CC[C@H]1F ZINC001206154525 974333652 /nfs/dbraw/zinc/33/36/52/974333652.db2.gz JTDVOPRVAMWJAC-CHWSQXEVSA-N 2 1 240.297 2.087 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(F)c2)CC[C@H]1F ZINC001206154525 974333663 /nfs/dbraw/zinc/33/36/63/974333663.db2.gz JTDVOPRVAMWJAC-CHWSQXEVSA-N 2 1 240.297 2.087 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@H](F)C1)C2 ZINC001172098522 974339963 /nfs/dbraw/zinc/33/99/63/974339963.db2.gz FMXHXHGBFRTMDP-XHJNMGKDSA-N 2 1 240.366 2.482 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@H](F)C1)C2 ZINC001172098522 974339971 /nfs/dbraw/zinc/33/99/71/974339971.db2.gz FMXHXHGBFRTMDP-XHJNMGKDSA-N 2 1 240.366 2.482 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC1(C)C)C2 ZINC001172112608 974373525 /nfs/dbraw/zinc/37/35/25/974373525.db2.gz YDIACNBISYQJHC-FVCCEPFGSA-N 2 1 222.376 2.390 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC1(C)C)C2 ZINC001172112608 974373535 /nfs/dbraw/zinc/37/35/35/974373535.db2.gz YDIACNBISYQJHC-FVCCEPFGSA-N 2 1 222.376 2.390 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1ccc(C[NH3+])c1)C2 ZINC001172112242 974373579 /nfs/dbraw/zinc/37/35/79/974373579.db2.gz UMKYTUDZWQSTHY-BTTYYORXSA-N 2 1 233.359 2.135 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1ccc(C[NH3+])c1)C2 ZINC001172112243 974376628 /nfs/dbraw/zinc/37/66/28/974376628.db2.gz UMKYTUDZWQSTHY-WDNDVIMCSA-N 2 1 233.359 2.135 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cccc1C[NH3+])C2 ZINC001172108342 974376811 /nfs/dbraw/zinc/37/68/11/974376811.db2.gz UWPGUHUPNOCERQ-DABQJJPHSA-N 2 1 233.359 2.135 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H]1C1CC1)C2 ZINC001172113825 974378717 /nfs/dbraw/zinc/37/87/17/974378717.db2.gz MUPZERUVZABQLB-AICCOOGYSA-N 2 1 234.387 2.390 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H]1C1CC1)C2 ZINC001172113825 974378728 /nfs/dbraw/zinc/37/87/28/974378728.db2.gz MUPZERUVZABQLB-AICCOOGYSA-N 2 1 234.387 2.390 20 0 BEADMP C[C@@H]1C[C@@H](F)C[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120477 974380189 /nfs/dbraw/zinc/38/01/89/974380189.db2.gz KZXWAIWTQSFWRU-POQQGIQPSA-N 2 1 240.366 2.434 20 0 BEADMP C[C@@H]1C[C@@H](F)C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120477 974380193 /nfs/dbraw/zinc/38/01/93/974380193.db2.gz KZXWAIWTQSFWRU-POQQGIQPSA-N 2 1 240.366 2.434 20 0 BEADMP C[C@@H]1C[C@@H](F)C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120477 974380201 /nfs/dbraw/zinc/38/02/01/974380201.db2.gz KZXWAIWTQSFWRU-POQQGIQPSA-N 2 1 240.366 2.434 20 0 BEADMP CC[C@@H](COC)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172118589 974381587 /nfs/dbraw/zinc/38/15/87/974381587.db2.gz RZPJPGUREFEPIF-XDQVBPFNSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@@H](COC)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118589 974381596 /nfs/dbraw/zinc/38/15/96/974381596.db2.gz RZPJPGUREFEPIF-XDQVBPFNSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113182 974385718 /nfs/dbraw/zinc/38/57/18/974385718.db2.gz HHUOXMQZZGKFEF-FQUUOJAGSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@H]1CCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113182 974385727 /nfs/dbraw/zinc/38/57/27/974385727.db2.gz HHUOXMQZZGKFEF-FQUUOJAGSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@H]1CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113182 974385731 /nfs/dbraw/zinc/38/57/31/974385731.db2.gz HHUOXMQZZGKFEF-FQUUOJAGSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@H]1CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113182 974385737 /nfs/dbraw/zinc/38/57/37/974385737.db2.gz HHUOXMQZZGKFEF-FQUUOJAGSA-N 2 1 222.376 2.486 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@H](F)C1)C2 ZINC001172121439 974387590 /nfs/dbraw/zinc/38/75/90/974387590.db2.gz QNZIPAAUMNJECI-RVMXOQNASA-N 2 1 226.339 2.046 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H](F)C1)C2 ZINC001172120899 974388992 /nfs/dbraw/zinc/38/89/92/974388992.db2.gz GZWXUWAHQONBCM-FQUUOJAGSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H](F)C1)C2 ZINC001172120899 974389003 /nfs/dbraw/zinc/38/90/03/974389003.db2.gz GZWXUWAHQONBCM-FQUUOJAGSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H](F)C1)C2 ZINC001172120899 974389017 /nfs/dbraw/zinc/38/90/17/974389017.db2.gz GZWXUWAHQONBCM-FQUUOJAGSA-N 2 1 240.366 2.436 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CC3)C1)C2 ZINC001172121473 974392167 /nfs/dbraw/zinc/39/21/67/974392167.db2.gz QUHFVADYVUYSHP-WDNDVIMCSA-N 2 1 234.387 2.488 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC3(CC3)C1)C2 ZINC001172121473 974392178 /nfs/dbraw/zinc/39/21/78/974392178.db2.gz QUHFVADYVUYSHP-WDNDVIMCSA-N 2 1 234.387 2.488 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC3(CC3)C1)C2 ZINC001172121473 974392183 /nfs/dbraw/zinc/39/21/83/974392183.db2.gz QUHFVADYVUYSHP-WDNDVIMCSA-N 2 1 234.387 2.488 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H](F)C1)C2 ZINC001172120902 974393590 /nfs/dbraw/zinc/39/35/90/974393590.db2.gz GZWXUWAHQONBCM-YIYPIFLZSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](F)C1)C2 ZINC001172120902 974393600 /nfs/dbraw/zinc/39/36/00/974393600.db2.gz GZWXUWAHQONBCM-YIYPIFLZSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H](F)C1)C2 ZINC001172120902 974393607 /nfs/dbraw/zinc/39/36/07/974393607.db2.gz GZWXUWAHQONBCM-YIYPIFLZSA-N 2 1 240.366 2.436 20 0 BEADMP CC(C)[N@@H+]([C@@H]1COC(C)(C)C1)C(C)(C)C[NH3+] ZINC001172279526 974539141 /nfs/dbraw/zinc/53/91/41/974539141.db2.gz IFICCONDLHSNRU-NSHDSACASA-N 2 1 228.380 2.002 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1COC(C)(C)C1 ZINC001172295213 974563401 /nfs/dbraw/zinc/56/34/01/974563401.db2.gz QYDWJSGJXCHHNR-ZDUSSCGKSA-N 2 1 242.407 2.218 20 0 BEADMP Cc1cc(N2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc[nH+]1 ZINC001277064197 974643122 /nfs/dbraw/zinc/64/31/22/974643122.db2.gz HNDVLTXWHRGMJI-OKILXGFUSA-N 2 1 245.370 2.168 20 0 BEADMP CCOCC[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC001172424078 974700953 /nfs/dbraw/zinc/70/09/53/974700953.db2.gz MQXZPCBSJBOARR-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP CCOCC[C@@H](C)[N@H+](C)C1CC[NH+](CC)CC1 ZINC001172428827 974706992 /nfs/dbraw/zinc/70/69/92/974706992.db2.gz OFFOIMZKIUXKQG-CYBMUJFWSA-N 2 1 242.407 2.218 20 0 BEADMP CC(C)OCC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001172437789 974792804 /nfs/dbraw/zinc/79/28/04/974792804.db2.gz JGKDOPFLVYICLU-KGLIPLIRSA-N 2 1 242.407 2.264 20 0 BEADMP CC(C)OCC[C@H](C)[N@@H+](C)CCC[NH+](C)C ZINC001172439649 974794846 /nfs/dbraw/zinc/79/48/46/974794846.db2.gz GBUPWDPCLNUAPX-ZDUSSCGKSA-N 2 1 230.396 2.074 20 0 BEADMP c1cc(C[NH2+]CCC[NH+]2CCC2)n(C2CC2)c1 ZINC001331925835 974871470 /nfs/dbraw/zinc/87/14/70/974871470.db2.gz ZAIYTVPUUBYBHD-UHFFFAOYSA-N 2 1 233.359 2.008 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccncc1 ZINC001204102613 974959427 /nfs/dbraw/zinc/95/94/27/974959427.db2.gz DKMHZJKRERUNGF-ZDUSSCGKSA-N 2 1 235.375 2.292 20 0 BEADMP CC[C@@H]1CC[C@H](n2c(C)c[nH+]c2CC[NH3+])C1 ZINC001173265811 975128050 /nfs/dbraw/zinc/12/80/50/975128050.db2.gz VZEOJZITAVBWQF-NEPJUHHUSA-N 2 1 221.348 2.444 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@@H](C)CSCC ZINC001173292876 975168035 /nfs/dbraw/zinc/16/80/35/975168035.db2.gz SHRNVCNJNKFZHT-NSHDSACASA-N 2 1 218.410 2.189 20 0 BEADMP CCSC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001173293202 975168815 /nfs/dbraw/zinc/16/88/15/975168815.db2.gz YQNWEHVLURYLST-OLZOCXBDSA-N 2 1 244.448 2.450 20 0 BEADMP CCSC[C@H](C)[NH+]1CCC([NH+](C)C)CC1 ZINC001173297320 975184488 /nfs/dbraw/zinc/18/44/88/975184488.db2.gz DKXFEIAPBKVXFI-NSHDSACASA-N 2 1 230.421 2.154 20 0 BEADMP CC[C@H]1CC[C@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001173278794 975234291 /nfs/dbraw/zinc/23/42/91/975234291.db2.gz FPGXTCFGWRPXFZ-XGUBFFRZSA-N 2 1 236.403 2.449 20 0 BEADMP CC[C@H]1CC[C@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C1 ZINC001173278794 975234299 /nfs/dbraw/zinc/23/42/99/975234299.db2.gz FPGXTCFGWRPXFZ-XGUBFFRZSA-N 2 1 236.403 2.449 20 0 BEADMP CC[C@H]1CC[C@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C1 ZINC001173278794 975234308 /nfs/dbraw/zinc/23/43/08/975234308.db2.gz FPGXTCFGWRPXFZ-XGUBFFRZSA-N 2 1 236.403 2.449 20 0 BEADMP CC[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)C1 ZINC001173282506 975239904 /nfs/dbraw/zinc/23/99/04/975239904.db2.gz GWSGTUNOXMNYNU-APIJFGDWSA-N 2 1 236.403 2.449 20 0 BEADMP CC[C@@H]1CC[C@@H]([NH+]2C[C@H]3C[N@@H+](CC)C[C@H]3C2)C1 ZINC001173282506 975239913 /nfs/dbraw/zinc/23/99/13/975239913.db2.gz GWSGTUNOXMNYNU-APIJFGDWSA-N 2 1 236.403 2.449 20 0 BEADMP CC[C@@H]1CC[C@@H]([NH+]2C[C@H]3C[N@H+](CC)C[C@H]3C2)C1 ZINC001173282506 975239919 /nfs/dbraw/zinc/23/99/19/975239919.db2.gz GWSGTUNOXMNYNU-APIJFGDWSA-N 2 1 236.403 2.449 20 0 BEADMP Cc1ccc(NC(=[NH2+])NCC[N@@H+](C)C2CC2)cc1 ZINC001333041147 975382615 /nfs/dbraw/zinc/38/26/15/975382615.db2.gz WLOOLVDFOSHJOY-UHFFFAOYSA-N 2 1 246.358 2.025 20 0 BEADMP Cc1ccc(NC(=[NH2+])NCC[N@H+](C)C2CC2)cc1 ZINC001333041147 975382630 /nfs/dbraw/zinc/38/26/30/975382630.db2.gz WLOOLVDFOSHJOY-UHFFFAOYSA-N 2 1 246.358 2.025 20 0 BEADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CC3(C)CC3)C[C@H]2C1 ZINC001335133588 976860616 /nfs/dbraw/zinc/86/06/16/976860616.db2.gz JLWNSWFLYXVDNE-MGPQQGTHSA-N 2 1 236.403 2.449 20 0 BEADMP Cc1ccc2[nH+]c(N)n(C3=CCC[N@H+](C)C3)c2c1 ZINC001175574071 977574838 /nfs/dbraw/zinc/57/48/38/977574838.db2.gz LPBCEQAVDPKSIE-UHFFFAOYSA-N 2 1 242.326 2.103 20 0 BEADMP CCC[N@@H+](C)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012246 977838314 /nfs/dbraw/zinc/83/83/14/977838314.db2.gz WRGUWYLKKYPAKC-UHFFFAOYSA-N 2 1 203.289 2.405 20 0 BEADMP C[C@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011414 977841737 /nfs/dbraw/zinc/84/17/37/977841737.db2.gz JYWFNZXNLLYQLB-JTQLQIEISA-N 2 1 215.300 2.405 20 0 BEADMP F[C@@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@@H]2C[C@@H]21 ZINC001232013116 977841801 /nfs/dbraw/zinc/84/18/01/977841801.db2.gz YHLKFYUBTOXRDQ-WCFLWFBJSA-N 2 1 245.301 2.353 20 0 BEADMP F[C@@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@@H]2C[C@@H]21 ZINC001232013116 977841807 /nfs/dbraw/zinc/84/18/07/977841807.db2.gz YHLKFYUBTOXRDQ-WCFLWFBJSA-N 2 1 245.301 2.353 20 0 BEADMP Cc1cc[nH+]c(N2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC001277679282 978170679 /nfs/dbraw/zinc/17/06/79/978170679.db2.gz AGWGOCWSXXLXIQ-OAHLLOKOSA-N 2 1 245.370 2.312 20 0 BEADMP Cc1cc[nH+]c(N2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC001277679282 978170685 /nfs/dbraw/zinc/17/06/85/978170685.db2.gz AGWGOCWSXXLXIQ-OAHLLOKOSA-N 2 1 245.370 2.312 20 0 BEADMP Cc1cc[nH+]c(N2CCC3(CC[N@@H+](C)C3)CC2)c1 ZINC001277680861 978183359 /nfs/dbraw/zinc/18/33/59/978183359.db2.gz PLDOFBIHZYCWIA-UHFFFAOYSA-N 2 1 245.370 2.312 20 0 BEADMP Cc1cc[nH+]c(N2CCC3(CC[N@H+](C)C3)CC2)c1 ZINC001277680861 978183361 /nfs/dbraw/zinc/18/33/61/978183361.db2.gz PLDOFBIHZYCWIA-UHFFFAOYSA-N 2 1 245.370 2.312 20 0 BEADMP C[C@]1(C[NH3+])CCC[N@@H+](CCC2CC2)CC1 ZINC001206293936 978292619 /nfs/dbraw/zinc/29/26/19/978292619.db2.gz HXUDHZROTPCHCR-ZDUSSCGKSA-N 2 1 210.365 2.237 20 0 BEADMP Cc1cc(C)c(C[N@@H+](C)C2CCN(C)CC2)cn1 ZINC001233006994 978398157 /nfs/dbraw/zinc/39/81/57/978398157.db2.gz GELDETDNEWMUJG-UHFFFAOYSA-N 2 1 247.386 2.224 20 0 BEADMP C[N@H+]1Cc2ccccc2[C@H]1CNc1cc[nH+]cc1 ZINC001337726466 978473617 /nfs/dbraw/zinc/47/36/17/978473617.db2.gz ZUMHPHDBGZSPCS-OAHLLOKOSA-N 2 1 239.322 2.102 20 0 BEADMP CC(C)[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001277796742 978653918 /nfs/dbraw/zinc/65/39/18/978653918.db2.gz ITANLRQEIQXFFR-ZDUSSCGKSA-N 2 1 210.365 2.203 20 0 BEADMP CC(C)[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001277796742 978653923 /nfs/dbraw/zinc/65/39/23/978653923.db2.gz ITANLRQEIQXFFR-ZDUSSCGKSA-N 2 1 210.365 2.203 20 0 BEADMP CC(C)[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001277796742 978653925 /nfs/dbraw/zinc/65/39/25/978653925.db2.gz ITANLRQEIQXFFR-ZDUSSCGKSA-N 2 1 210.365 2.203 20 0 BEADMP CC[NH+](CC)C[C@H](C)Oc1ccc2[nH+]ccn2c1 ZINC001233748631 978688627 /nfs/dbraw/zinc/68/86/27/978688627.db2.gz KRZIJENASYNGBI-LBPRGKRZSA-N 2 1 247.342 2.443 20 0 BEADMP CC[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001277808540 978702176 /nfs/dbraw/zinc/70/21/76/978702176.db2.gz YOYFMTMIZZZSBQ-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001277808540 978702182 /nfs/dbraw/zinc/70/21/82/978702182.db2.gz YOYFMTMIZZZSBQ-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@H](C)[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001277808540 978702188 /nfs/dbraw/zinc/70/21/88/978702188.db2.gz YOYFMTMIZZZSBQ-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@@H](NCc3ccccc3F)[C@@H]2C1 ZINC001179815690 978758964 /nfs/dbraw/zinc/75/89/64/978758964.db2.gz IVBQBFJPCIZAGB-GZBFAFLISA-N 2 1 248.345 2.256 20 0 BEADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccccc3F)[C@@H]2C1 ZINC001179815690 978758970 /nfs/dbraw/zinc/75/89/70/978758970.db2.gz IVBQBFJPCIZAGB-GZBFAFLISA-N 2 1 248.345 2.256 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccccc3F)[C@@H]2C1 ZINC001179815690 978758973 /nfs/dbraw/zinc/75/89/73/978758973.db2.gz IVBQBFJPCIZAGB-GZBFAFLISA-N 2 1 248.345 2.256 20 0 BEADMP CC1=C[C@@H](C)[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC001235005056 978947962 /nfs/dbraw/zinc/94/79/62/978947962.db2.gz VWBYIUXOKAPWBI-QPSCCSFWSA-N 2 1 234.387 2.415 20 0 BEADMP CC1=C[C@@H](C)[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC001235005056 978947967 /nfs/dbraw/zinc/94/79/67/978947967.db2.gz VWBYIUXOKAPWBI-QPSCCSFWSA-N 2 1 234.387 2.415 20 0 BEADMP C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21)C1CCCCC1 ZINC001235007758 978950742 /nfs/dbraw/zinc/95/07/42/978950742.db2.gz QWUNJIAIOVXQNH-UONOGXRCSA-N 2 1 222.376 2.251 20 0 BEADMP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21)C1CCCCC1 ZINC001235007758 978950748 /nfs/dbraw/zinc/95/07/48/978950748.db2.gz QWUNJIAIOVXQNH-UONOGXRCSA-N 2 1 222.376 2.251 20 0 BEADMP CCCc1ccc(C[N@@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235023977 978955091 /nfs/dbraw/zinc/95/50/91/978955091.db2.gz IGCXNVJHLGXSHY-UHFFFAOYSA-N 2 1 244.382 2.434 20 0 BEADMP CCCc1ccc(C[N@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235023977 978955095 /nfs/dbraw/zinc/95/50/95/978955095.db2.gz IGCXNVJHLGXSHY-UHFFFAOYSA-N 2 1 244.382 2.434 20 0 BEADMP CCCC[C@H](CC)C[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235026265 978955446 /nfs/dbraw/zinc/95/54/46/978955446.db2.gz LWMWPXYUCUXCLQ-MELADBBJSA-N 2 1 224.392 2.497 20 0 BEADMP CCc1cccc(C)c1C[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235026752 978955471 /nfs/dbraw/zinc/95/54/71/978955471.db2.gz QOPLWVIKRYCMTL-UHFFFAOYSA-N 2 1 244.382 2.353 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)c(C)c1 ZINC001235025995 978955924 /nfs/dbraw/zinc/95/59/24/978955924.db2.gz IYMHXMIZHNKLLH-GOEBONIOSA-N 2 1 244.382 2.406 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CCC3(C[NH2+]C3)C2)c(C)c1 ZINC001235024902 978956163 /nfs/dbraw/zinc/95/61/63/978956163.db2.gz RQWFPEIDRLADFY-UHFFFAOYSA-N 2 1 244.382 2.407 20 0 BEADMP CC1(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CCCCC1 ZINC001235073791 978968811 /nfs/dbraw/zinc/96/88/11/978968811.db2.gz WZURKGSSWQGUKU-CHWSQXEVSA-N 2 1 222.376 2.393 20 0 BEADMP CC1(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CCCCC1 ZINC001235073791 978968816 /nfs/dbraw/zinc/96/88/16/978968816.db2.gz WZURKGSSWQGUKU-CHWSQXEVSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@H]([NH3+])C[NH+]1CCC2(CCc3ccccc32)CC1 ZINC001235154833 978983639 /nfs/dbraw/zinc/98/36/39/978983639.db2.gz WJJTVWZTFBFGAZ-ZDUSSCGKSA-N 2 1 244.382 2.314 20 0 BEADMP Cc1ccc(CCC[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)o1 ZINC001235240103 979004195 /nfs/dbraw/zinc/00/41/95/979004195.db2.gz MNQRUTOFSYSRIS-UKRRQHHQSA-N 2 1 248.370 2.334 20 0 BEADMP Cc1ccc(CCC[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)o1 ZINC001235240103 979004204 /nfs/dbraw/zinc/00/42/04/979004204.db2.gz MNQRUTOFSYSRIS-UKRRQHHQSA-N 2 1 248.370 2.334 20 0 BEADMP C[C@@H]1[C@@H](C)CCC[N@H+]1CC[C@H]1COC(C)(C)N1 ZINC001235694715 979124149 /nfs/dbraw/zinc/12/41/49/979124149.db2.gz ITAFKYVRPPQQCB-XQQFMLRXSA-N 2 1 240.391 2.221 20 0 BEADMP C[C@@H]1[C@@H](C)CCC[N@@H+]1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235694715 979124159 /nfs/dbraw/zinc/12/41/59/979124159.db2.gz ITAFKYVRPPQQCB-XQQFMLRXSA-N 2 1 240.391 2.221 20 0 BEADMP C[C@@H]1[C@@H](C)CCC[N@H+]1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235694715 979124164 /nfs/dbraw/zinc/12/41/64/979124164.db2.gz ITAFKYVRPPQQCB-XQQFMLRXSA-N 2 1 240.391 2.221 20 0 BEADMP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCC(C)=C[C@@H]2C)C1 ZINC001235829281 979153206 /nfs/dbraw/zinc/15/32/06/979153206.db2.gz POXMSQAFALKAFC-MELADBBJSA-N 2 1 222.376 2.273 20 0 BEADMP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCC(C)=C[C@@H]2C)C1 ZINC001235829281 979153212 /nfs/dbraw/zinc/15/32/12/979153212.db2.gz POXMSQAFALKAFC-MELADBBJSA-N 2 1 222.376 2.273 20 0 BEADMP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1cccc2c1CCC2 ZINC001235891786 979182668 /nfs/dbraw/zinc/18/26/68/979182668.db2.gz IVLOOGZQBYSTNW-SWLSCSKDSA-N 2 1 244.382 2.487 20 0 BEADMP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1cccc2c1CCC2 ZINC001235891786 979182676 /nfs/dbraw/zinc/18/26/76/979182676.db2.gz IVLOOGZQBYSTNW-SWLSCSKDSA-N 2 1 244.382 2.487 20 0 BEADMP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1cccc2c1CCC2 ZINC001235891787 979184546 /nfs/dbraw/zinc/18/45/46/979184546.db2.gz IVLOOGZQBYSTNW-WFASDCNBSA-N 2 1 244.382 2.487 20 0 BEADMP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1cccc2c1CCC2 ZINC001235891787 979184554 /nfs/dbraw/zinc/18/45/54/979184554.db2.gz IVLOOGZQBYSTNW-WFASDCNBSA-N 2 1 244.382 2.487 20 0 BEADMP CC1(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCCCC1 ZINC001235929045 979210302 /nfs/dbraw/zinc/21/03/02/979210302.db2.gz GMTWGVKMPSBEQV-UONOGXRCSA-N 2 1 236.403 2.498 20 0 BEADMP CC[C@H]1CCC[N@@H+](CC[C@H]2COC(C)(C)N2)C1 ZINC001235949287 979223110 /nfs/dbraw/zinc/22/31/10/979223110.db2.gz CMXRRNGZICWBBL-STQMWFEESA-N 2 1 240.391 2.223 20 0 BEADMP CC[C@H]1CCC[N@H+](CC[C@H]2COC(C)(C)[NH2+]2)C1 ZINC001235949287 979223123 /nfs/dbraw/zinc/22/31/23/979223123.db2.gz CMXRRNGZICWBBL-STQMWFEESA-N 2 1 240.391 2.223 20 0 BEADMP CC[C@H]1CCC[N@@H+](CC[C@H]2COC(C)(C)[NH2+]2)C1 ZINC001235949287 979223138 /nfs/dbraw/zinc/22/31/38/979223138.db2.gz CMXRRNGZICWBBL-STQMWFEESA-N 2 1 240.391 2.223 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958475 979227402 /nfs/dbraw/zinc/22/74/02/979227402.db2.gz FRYORMSBSYWLFV-MIFYACCESA-N 2 1 244.382 2.473 20 0 BEADMP CC[N@@H+](CCCC[NH3+])Cc1ccc(F)cc1 ZINC001235963421 979236782 /nfs/dbraw/zinc/23/67/82/979236782.db2.gz SJOKGGLSTAODNF-UHFFFAOYSA-N 2 1 224.323 2.387 20 0 BEADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC001235977516 979239195 /nfs/dbraw/zinc/23/91/95/979239195.db2.gz HCBKIKWXSQQWNU-HUUCEWRRSA-N 2 1 230.355 2.042 20 0 BEADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC001235977516 979239203 /nfs/dbraw/zinc/23/92/03/979239203.db2.gz HCBKIKWXSQQWNU-HUUCEWRRSA-N 2 1 230.355 2.042 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235977783 979245321 /nfs/dbraw/zinc/24/53/21/979245321.db2.gz HYKUKIJAQUAQFP-AJNGGQMLSA-N 2 1 234.387 2.402 20 0 BEADMP [NH3+][C@]12CC[C@@H]1C[N@H+](CC1CCC(F)(F)CC1)C2 ZINC001235979927 979254651 /nfs/dbraw/zinc/25/46/51/979254651.db2.gz OKAOHBHAOSQZKI-NEPJUHHUSA-N 2 1 244.329 2.235 20 0 BEADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](CC1CCC(F)(F)CC1)C2 ZINC001235979927 979254656 /nfs/dbraw/zinc/25/46/56/979254656.db2.gz OKAOHBHAOSQZKI-NEPJUHHUSA-N 2 1 244.329 2.235 20 0 BEADMP CC/C=C\CCC[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235981102 979256025 /nfs/dbraw/zinc/25/60/25/979256025.db2.gz UNFQIVCJVABOMV-FGTRRKKMSA-N 2 1 208.349 2.156 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235983180 979264394 /nfs/dbraw/zinc/26/43/94/979264394.db2.gz YLBQQWILAAJGNA-HIFRSBDPSA-N 2 1 230.355 2.227 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235983180 979264411 /nfs/dbraw/zinc/26/44/11/979264411.db2.gz YLBQQWILAAJGNA-HIFRSBDPSA-N 2 1 230.355 2.227 20 0 BEADMP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccccc1C1CC1)C2 ZINC001235989222 979272465 /nfs/dbraw/zinc/27/24/65/979272465.db2.gz IJGGFZYPSNIDHV-HOCLYGCPSA-N 2 1 242.366 2.487 20 0 BEADMP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccccc1C1CC1)C2 ZINC001235989222 979272473 /nfs/dbraw/zinc/27/24/73/979272473.db2.gz IJGGFZYPSNIDHV-HOCLYGCPSA-N 2 1 242.366 2.487 20 0 BEADMP CCc1cccc(C)c1C[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235991715 979280543 /nfs/dbraw/zinc/28/05/43/979280543.db2.gz OWFOHASOVAEHCT-GDBMZVCRSA-N 2 1 244.382 2.481 20 0 BEADMP CCc1cccc(C)c1C[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235991715 979280555 /nfs/dbraw/zinc/28/05/55/979280555.db2.gz OWFOHASOVAEHCT-GDBMZVCRSA-N 2 1 244.382 2.481 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001236013408 979296253 /nfs/dbraw/zinc/29/62/53/979296253.db2.gz AHCRIRIUADXJGE-IGQOVBAYSA-N 2 1 220.360 2.012 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001236013408 979296267 /nfs/dbraw/zinc/29/62/67/979296267.db2.gz AHCRIRIUADXJGE-IGQOVBAYSA-N 2 1 220.360 2.012 20 0 BEADMP Cc1cccc(CC[N@@H+]2C[C@H](C)C[C@H]([NH3+])C2)c1 ZINC001236044582 979337155 /nfs/dbraw/zinc/33/71/55/979337155.db2.gz OLRMKALKCOACIG-HIFRSBDPSA-N 2 1 232.371 2.207 20 0 BEADMP Cc1cccc(CC[N@H+]2C[C@H](C)C[C@H]([NH3+])C2)c1 ZINC001236044582 979337169 /nfs/dbraw/zinc/33/71/69/979337169.db2.gz OLRMKALKCOACIG-HIFRSBDPSA-N 2 1 232.371 2.207 20 0 BEADMP Cc1ccc(C[N@H+]2CC[NH2+]CC[C@H]2C)cc1C ZINC000085622303 979526475 /nfs/dbraw/zinc/52/64/75/979526475.db2.gz RRBRAHOQBKKSQV-CQSZACIVSA-N 2 1 232.371 2.487 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[NH2+]CC[C@H]2C)cc1C ZINC000085622303 979526476 /nfs/dbraw/zinc/52/64/76/979526476.db2.gz RRBRAHOQBKKSQV-CQSZACIVSA-N 2 1 232.371 2.487 20 0 BEADMP CC[C@@H]([NH3+])C[NH+]1CCC(c2ccc(N)cc2)CC1 ZINC001236335120 979535695 /nfs/dbraw/zinc/53/56/95/979535695.db2.gz GJUQLLLCDKRABZ-CQSZACIVSA-N 2 1 247.386 2.186 20 0 BEADMP Cc1cccc(CC[N@H+]2CCC[C@@H]([NH3+])[C@H]2C)c1 ZINC001236416561 979591686 /nfs/dbraw/zinc/59/16/86/979591686.db2.gz VMYCZXMTANSOKQ-UKRRQHHQSA-N 2 1 232.371 2.349 20 0 BEADMP Cc1cccc(CC[N@@H+]2CCC[C@@H]([NH3+])[C@H]2C)c1 ZINC001236416561 979591694 /nfs/dbraw/zinc/59/16/94/979591694.db2.gz VMYCZXMTANSOKQ-UKRRQHHQSA-N 2 1 232.371 2.349 20 0 BEADMP COc1ccc2c(c1)C[N@H+](CCCC[NH3+])CCC2 ZINC001236434310 979599311 /nfs/dbraw/zinc/59/93/11/979599311.db2.gz OHWAJEMDBXXZMB-UHFFFAOYSA-N 2 1 248.370 2.182 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206542132 979649928 /nfs/dbraw/zinc/64/99/28/979649928.db2.gz SEOUNJNWKIDIHM-AGIUHOORSA-N 2 1 210.365 2.093 20 0 BEADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CCC(F)(F)F)C1 ZINC001206542348 979654038 /nfs/dbraw/zinc/65/40/38/979654038.db2.gz YTBNZXRKCBHXDY-JTQLQIEISA-N 2 1 238.297 2.390 20 0 BEADMP C[C@]1([NH3+])CCC[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001205257233 979756547 /nfs/dbraw/zinc/75/65/47/979756547.db2.gz UQGWMVJBVZGARO-XGUBFFRZSA-N 2 1 234.387 2.402 20 0 BEADMP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc2c1ccn2C ZINC001236867797 979770401 /nfs/dbraw/zinc/77/04/01/979770401.db2.gz BBGAXTDPLKNMDX-ZDUSSCGKSA-N 2 1 245.370 2.347 20 0 BEADMP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc2c1ccn2C ZINC001236867797 979770405 /nfs/dbraw/zinc/77/04/05/979770405.db2.gz BBGAXTDPLKNMDX-ZDUSSCGKSA-N 2 1 245.370 2.347 20 0 BEADMP C[C@H]([NH3+])C[N@@H+](C)CC[C@@H](C)CCCC(C)(C)O ZINC001236884873 979780731 /nfs/dbraw/zinc/78/07/31/979780731.db2.gz UIXXVZVFBHBLRZ-STQMWFEESA-N 2 1 244.423 2.233 20 0 BEADMP CCn1ccc2c1cccc2C[N@H+](C)C[C@H](C)[NH3+] ZINC001236895682 979786486 /nfs/dbraw/zinc/78/64/86/979786486.db2.gz VNZJUGKBBGKIEQ-LBPRGKRZSA-N 2 1 245.370 2.440 20 0 BEADMP CCn1ccc2c1cccc2C[N@@H+](C)C[C@H](C)[NH3+] ZINC001236895682 979786491 /nfs/dbraw/zinc/78/64/91/979786491.db2.gz VNZJUGKBBGKIEQ-LBPRGKRZSA-N 2 1 245.370 2.440 20 0 BEADMP Cc1ccnc2cccc(C[N@@H+](C)C[C@H](C)[NH3+])c12 ZINC001236908552 979792329 /nfs/dbraw/zinc/79/23/29/979792329.db2.gz KWJULCBZYBLQLV-LBPRGKRZSA-N 2 1 243.354 2.322 20 0 BEADMP Cc1ccnc2cccc(C[N@H+](C)C[C@H](C)[NH3+])c12 ZINC001236908552 979792340 /nfs/dbraw/zinc/79/23/40/979792340.db2.gz KWJULCBZYBLQLV-LBPRGKRZSA-N 2 1 243.354 2.322 20 0 BEADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCOCC1 ZINC001342606639 979839086 /nfs/dbraw/zinc/83/90/86/979839086.db2.gz GQGUDODNBVHASS-BFHYXJOUSA-N 2 1 240.391 2.018 20 0 BEADMP CC/C=C\CC[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237383828 979882065 /nfs/dbraw/zinc/88/20/65/979882065.db2.gz RXDIWUPAWYNBBQ-KBIGUFJUSA-N 2 1 222.376 2.417 20 0 BEADMP CC/C=C\CC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237383828 979882071 /nfs/dbraw/zinc/88/20/71/979882071.db2.gz RXDIWUPAWYNBBQ-KBIGUFJUSA-N 2 1 222.376 2.417 20 0 BEADMP C[NH+]1CCC([NH2+]CCCc2ccsc2)CC1 ZINC001184387292 980057797 /nfs/dbraw/zinc/05/77/97/980057797.db2.gz IMAPTLHONQLNOC-UHFFFAOYSA-N 2 1 238.400 2.365 20 0 BEADMP C[N@@H+](Cc1cccc2c[nH+]cn21)CC1CC1 ZINC001238102339 980152676 /nfs/dbraw/zinc/15/26/76/980152676.db2.gz BEXNPYSAHKWCEG-UHFFFAOYSA-N 2 1 215.300 2.176 20 0 BEADMP C[N@H+](Cc1cccc2c[nH+]cn21)CC1CC1 ZINC001238102339 980152679 /nfs/dbraw/zinc/15/26/79/980152679.db2.gz BEXNPYSAHKWCEG-UHFFFAOYSA-N 2 1 215.300 2.176 20 0 BEADMP C[N@H+]1CCc2cc(C3=CCC[NH2+]CC3)ccc2C1 ZINC001238948485 980386536 /nfs/dbraw/zinc/38/65/36/980386536.db2.gz WSSKPBXEZRCQHN-UHFFFAOYSA-N 2 1 242.366 2.441 20 0 BEADMP Cc1cc(OCCc2c[nH+]cn2C)cc(C)[nH+]1 ZINC001347243049 981019014 /nfs/dbraw/zinc/01/90/14/981019014.db2.gz IQIRCESOZXCIGI-UHFFFAOYSA-N 2 1 231.299 2.053 20 0 BEADMP C[C@@H]1C[C@H](NCc2cccn2C2CC2)CC[N@H+]1C ZINC001347781889 981170225 /nfs/dbraw/zinc/17/02/25/981170225.db2.gz JHZUFJVGVDTFAA-CHWSQXEVSA-N 2 1 247.386 2.395 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]Cc2cccn2C2CC2)CCN1C ZINC001347781889 981170233 /nfs/dbraw/zinc/17/02/33/981170233.db2.gz JHZUFJVGVDTFAA-CHWSQXEVSA-N 2 1 247.386 2.395 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]Cc2cccn2C2CC2)CC[N@@H+]1C ZINC001347781889 981170239 /nfs/dbraw/zinc/17/02/39/981170239.db2.gz JHZUFJVGVDTFAA-CHWSQXEVSA-N 2 1 247.386 2.395 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]Cc2cccn2C2CC2)CC[N@H+]1C ZINC001347781889 981170247 /nfs/dbraw/zinc/17/02/47/981170247.db2.gz JHZUFJVGVDTFAA-CHWSQXEVSA-N 2 1 247.386 2.395 20 0 BEADMP CCOC(=[NH2+])c1ccc(C2=CC[NH2+]CC2)cc1 ZINC001240470028 981408156 /nfs/dbraw/zinc/40/81/56/981408156.db2.gz QNZNYFYPMSXMOJ-UHFFFAOYSA-N 2 1 230.311 2.425 20 0 BEADMP C[N@H+]1CCc2cc(C3=CCC[NH2+]C3)ccc2C1 ZINC001240668776 981577486 /nfs/dbraw/zinc/57/74/86/981577486.db2.gz AZQGCGKIEIEDGO-UHFFFAOYSA-N 2 1 228.339 2.051 20 0 BEADMP CCOC(=[NH2+])c1cccc(C2=CCC[NH2+]C2)c1 ZINC001240668780 981578219 /nfs/dbraw/zinc/57/82/19/981578219.db2.gz BDZOVPRQIRUYOW-UHFFFAOYSA-N 2 1 230.311 2.425 20 0 BEADMP Cc1cc(C=C2CC[NH2+]CC2)cn2cc[nH+]c12 ZINC001240876879 981924997 /nfs/dbraw/zinc/92/49/97/981924997.db2.gz IWRQNRVBNAJNMS-UHFFFAOYSA-N 2 1 227.311 2.410 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cs1 ZINC001350910559 982119849 /nfs/dbraw/zinc/11/98/49/982119849.db2.gz QKGUXDIZVFRXJM-MFKMUULPSA-N 2 1 238.400 2.473 20 0 BEADMP C(=C\C1CC1)\C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC001350956632 982137949 /nfs/dbraw/zinc/13/79/49/982137949.db2.gz MYFWIJVQKUSSCR-SCOBNMCVSA-N 2 1 220.360 2.217 20 0 BEADMP CC(C)C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001352113661 982473898 /nfs/dbraw/zinc/47/38/98/982473898.db2.gz TUJRLEINIGBMQF-MJBXVCDLSA-N 2 1 224.392 2.305 20 0 BEADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@H]3C=CCCCCC3)C[C@H]21 ZINC001196630811 982478442 /nfs/dbraw/zinc/47/84/42/982478442.db2.gz AHVVFJQJFIKLKA-BYNSBNAKSA-N 2 1 234.387 2.367 20 0 BEADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@H]3C=CCCCCC3)C[C@H]21 ZINC001196630811 982478448 /nfs/dbraw/zinc/47/84/48/982478448.db2.gz AHVVFJQJFIKLKA-BYNSBNAKSA-N 2 1 234.387 2.367 20 0 BEADMP C[NH2+]Cc1ccc(C2=CC[N@@H+](C)CC2)cc1 ZINC001241330271 982490691 /nfs/dbraw/zinc/49/06/91/982490691.db2.gz NQOGRVKYQFGSAU-UHFFFAOYSA-N 2 1 216.328 2.125 20 0 BEADMP C[C@H]([NH3+])c1ccccc1C1=CC[N@@H+](C)CC1 ZINC001241330493 982490909 /nfs/dbraw/zinc/49/09/09/982490909.db2.gz SXVOFSZSEBKEQR-NSHDSACASA-N 2 1 216.328 2.425 20 0 BEADMP C[N@@H+]1CC=C(c2cccc3c2CC[C@@H]3[NH3+])CC1 ZINC001241330084 982492328 /nfs/dbraw/zinc/49/23/28/982492328.db2.gz IQJJZIIDMFTJJN-HNNXBMFYSA-N 2 1 228.339 2.352 20 0 BEADMP C[N@@H+]1CC=C(c2ccc3c(c2)[C@H]([NH3+])CC3)CC1 ZINC001241331720 982496221 /nfs/dbraw/zinc/49/62/21/982496221.db2.gz BTNHQUURDNUUOC-OAHLLOKOSA-N 2 1 228.339 2.352 20 0 BEADMP C[C@@H]([NH3+])c1ccccc1C1=CC[N@@H+](C)CC1 ZINC001241333207 982501486 /nfs/dbraw/zinc/50/14/86/982501486.db2.gz SXVOFSZSEBKEQR-LLVKDONJSA-N 2 1 216.328 2.425 20 0 BEADMP CC(C)(C)C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001201434365 983237930 /nfs/dbraw/zinc/23/79/30/983237930.db2.gz IQBQBNHUQYVWHL-UHFFFAOYSA-N 2 1 236.403 2.450 20 0 BEADMP CC(C)(C)C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001201434365 983237940 /nfs/dbraw/zinc/23/79/40/983237940.db2.gz IQBQBNHUQYVWHL-UHFFFAOYSA-N 2 1 236.403 2.450 20 0 BEADMP CCC[C@@H](C)C[N@H+](C)C1CC[NH+](C)CC1 ZINC001201534744 983290695 /nfs/dbraw/zinc/29/06/95/983290695.db2.gz QKMRVUOXDPCRHC-GFCCVEGCSA-N 2 1 212.381 2.449 20 0 BEADMP CCC[C@@H](C)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001201534744 983290701 /nfs/dbraw/zinc/29/07/01/983290701.db2.gz QKMRVUOXDPCRHC-GFCCVEGCSA-N 2 1 212.381 2.449 20 0 BEADMP CCC[C@H](C)C[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001201563431 983332394 /nfs/dbraw/zinc/33/23/94/983332394.db2.gz PYCOVVOTZVQWJN-MELADBBJSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[C@H](C)C[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001201563431 983332401 /nfs/dbraw/zinc/33/24/01/983332401.db2.gz PYCOVVOTZVQWJN-MELADBBJSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[C@H](C)C[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001201563431 983332409 /nfs/dbraw/zinc/33/24/09/983332409.db2.gz PYCOVVOTZVQWJN-MELADBBJSA-N 2 1 224.392 2.306 20 0 BEADMP Cc1cc(N)[nH+]cc1-c1ccc2c(c1)C[NH2+]C2 ZINC001242085287 983333568 /nfs/dbraw/zinc/33/35/68/983333568.db2.gz PWVSTZILLUOLGQ-UHFFFAOYSA-N 2 1 225.295 2.242 20 0 BEADMP CC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001201587734 983351869 /nfs/dbraw/zinc/35/18/69/983351869.db2.gz XFDKMCLDPCNZCF-HOTGVXAUSA-N 2 1 244.382 2.460 20 0 BEADMP CC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201587734 983351875 /nfs/dbraw/zinc/35/18/75/983351875.db2.gz XFDKMCLDPCNZCF-HOTGVXAUSA-N 2 1 244.382 2.460 20 0 BEADMP CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201587734 983351880 /nfs/dbraw/zinc/35/18/80/983351880.db2.gz XFDKMCLDPCNZCF-HOTGVXAUSA-N 2 1 244.382 2.460 20 0 BEADMP CCCCCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001201737457 983446081 /nfs/dbraw/zinc/44/60/81/983446081.db2.gz NYSFALRNAMBHHF-OLZOCXBDSA-N 2 1 210.365 2.345 20 0 BEADMP CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC001201737457 983446094 /nfs/dbraw/zinc/44/60/94/983446094.db2.gz NYSFALRNAMBHHF-OLZOCXBDSA-N 2 1 210.365 2.345 20 0 BEADMP CCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC001201737457 983446102 /nfs/dbraw/zinc/44/61/02/983446102.db2.gz NYSFALRNAMBHHF-OLZOCXBDSA-N 2 1 210.365 2.345 20 0 BEADMP CCCCCC[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001201756311 983457413 /nfs/dbraw/zinc/45/74/13/983457413.db2.gz IHDYSOVHQQNHHG-OKILXGFUSA-N 2 1 224.392 2.450 20 0 BEADMP CCCCCC[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001201756311 983457417 /nfs/dbraw/zinc/45/74/17/983457417.db2.gz IHDYSOVHQQNHHG-OKILXGFUSA-N 2 1 224.392 2.450 20 0 BEADMP CCCCCC[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001201756311 983457418 /nfs/dbraw/zinc/45/74/18/983457418.db2.gz IHDYSOVHQQNHHG-OKILXGFUSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@H](CC[NH2+]Cc1ccncc1)[NH+]1CCCCC1 ZINC001201954199 983527793 /nfs/dbraw/zinc/52/77/93/983527793.db2.gz IJXRKIYEQHUOLA-CQSZACIVSA-N 2 1 247.386 2.436 20 0 BEADMP CCCCC1([NH2+]C[C@H]([NH3+])CC(F)F)CC1 ZINC001577419642 984196711 /nfs/dbraw/zinc/19/67/11/984196711.db2.gz WPFRNVAVSDEKNT-SECBINFHSA-N 2 1 220.307 2.281 20 0 BEADMP C[NH+]1CCC[C@@]2(CCC[N@H+](CC3CC3)C2)C1 ZINC001275136903 984505053 /nfs/dbraw/zinc/50/50/53/984505053.db2.gz FIKHOBNWZWVLRK-CQSZACIVSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](CC3CC3)C2)C1 ZINC001275136903 984505068 /nfs/dbraw/zinc/50/50/68/984505068.db2.gz FIKHOBNWZWVLRK-CQSZACIVSA-N 2 1 222.376 2.204 20 0 BEADMP C[N@@H+]1CC[C@H]2C[NH+](CC3CCC3)C[C@H]2CC1 ZINC001275180874 984514970 /nfs/dbraw/zinc/51/49/70/984514970.db2.gz NWXZZZMMKPDHCM-OKILXGFUSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]2CC1 ZINC001275180874 984514977 /nfs/dbraw/zinc/51/49/77/984514977.db2.gz NWXZZZMMKPDHCM-OKILXGFUSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]2CC1 ZINC001275180874 984514984 /nfs/dbraw/zinc/51/49/84/984514984.db2.gz NWXZZZMMKPDHCM-OKILXGFUSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccccn3)(C1)CCC2 ZINC001275870459 984717603 /nfs/dbraw/zinc/71/76/03/984717603.db2.gz JZEQYPQTJHLZAV-LSDHHAIUSA-N 2 1 245.370 2.236 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001276032781 984789123 /nfs/dbraw/zinc/78/91/23/984789123.db2.gz LNLFTYNRKVMFDL-ILXRZTDVSA-N 2 1 236.403 2.450 20 0 BEADMP C[C@@H]1C[C@H]1C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001276032781 984789147 /nfs/dbraw/zinc/78/91/47/984789147.db2.gz LNLFTYNRKVMFDL-ILXRZTDVSA-N 2 1 236.403 2.450 20 0 BEADMP C[C@@H]1C[C@H]1C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001276032781 984789196 /nfs/dbraw/zinc/78/91/96/984789196.db2.gz LNLFTYNRKVMFDL-ILXRZTDVSA-N 2 1 236.403 2.450 20 0 BEADMP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cc[nH]c3)C2)C1 ZINC001276104156 984817093 /nfs/dbraw/zinc/81/70/93/984817093.db2.gz ZLPMXNOKAVTGIV-OAHLLOKOSA-N 2 1 247.386 2.323 20 0 BEADMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cc[nH]c3)C2)C1 ZINC001276104156 984817094 /nfs/dbraw/zinc/81/70/94/984817094.db2.gz ZLPMXNOKAVTGIV-OAHLLOKOSA-N 2 1 247.386 2.323 20 0 BEADMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cc[nH]c3)C2)C1 ZINC001276104156 984817097 /nfs/dbraw/zinc/81/70/97/984817097.db2.gz ZLPMXNOKAVTGIV-OAHLLOKOSA-N 2 1 247.386 2.323 20 0 BEADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cc[nH]c3)C2)C1 ZINC001276104156 984817099 /nfs/dbraw/zinc/81/70/99/984817099.db2.gz ZLPMXNOKAVTGIV-OAHLLOKOSA-N 2 1 247.386 2.323 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)nc1 ZINC001578260054 984915810 /nfs/dbraw/zinc/91/58/10/984915810.db2.gz ZXIYFMNJBGNITB-GXTWGEPZSA-N 2 1 247.386 2.061 20 0 BEADMP C[N@@H+](C1CC1)C1CC[NH+](CC2CCC2)CC1 ZINC001202775782 985084534 /nfs/dbraw/zinc/08/45/34/985084534.db2.gz JPLGHQMEBNSJEV-UHFFFAOYSA-N 2 1 222.376 2.345 20 0 BEADMP C[N@@H+](CCC[NH3+])[C@H]1CCC[C@H]1C(C)(C)C ZINC001578466472 985097468 /nfs/dbraw/zinc/09/74/68/985097468.db2.gz OERWNFQHXZDKSS-NEPJUHHUSA-N 2 1 212.381 2.482 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])[C@@H](CO)CC(C)(C)C ZINC001578465752 985101883 /nfs/dbraw/zinc/10/18/83/985101883.db2.gz LOYRPDXNOVGLDD-CYBMUJFWSA-N 2 1 244.423 2.234 20 0 BEADMP CSC(C)(C)CC[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000687776692 985383489 /nfs/dbraw/zinc/38/34/89/985383489.db2.gz HCVHVUUJDOSQJU-NWDGAFQWSA-N 2 1 242.432 2.202 20 0 BEADMP CSC(C)(C)CC[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000687776692 985383504 /nfs/dbraw/zinc/38/35/04/985383504.db2.gz HCVHVUUJDOSQJU-NWDGAFQWSA-N 2 1 242.432 2.202 20 0 BEADMP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)CC1CC1 ZINC000688038087 985508776 /nfs/dbraw/zinc/50/87/76/985508776.db2.gz IBWHPPAMJVOHOQ-UHFFFAOYSA-N 2 1 236.384 2.236 20 0 BEADMP CO[C@@]1(C)CCC[N@@H+](CCC[NH2+]C2CC2)CC1 ZINC001578925085 985525989 /nfs/dbraw/zinc/52/59/89/985525989.db2.gz ZIQXLSUKPJRSHM-AWEZNQCLSA-N 2 1 240.391 2.020 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2C2CCC2)C1 ZINC000688148495 985571846 /nfs/dbraw/zinc/57/18/46/985571846.db2.gz OECYIUVFQQBJML-IACUBPJLSA-N 2 1 222.376 2.378 20 0 BEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001459792988 985621769 /nfs/dbraw/zinc/62/17/69/985621769.db2.gz PJZMSNNYRILTNW-NEPJUHHUSA-N 2 1 246.345 2.305 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001459792988 985621783 /nfs/dbraw/zinc/62/17/83/985621783.db2.gz PJZMSNNYRILTNW-NEPJUHHUSA-N 2 1 246.345 2.305 20 0 BEADMP c1cc(C2=C[NH2+]CCC2)ncc1C[NH+]1CCCC1 ZINC001243948381 985627608 /nfs/dbraw/zinc/62/76/08/985627608.db2.gz DBNQENPMYFOUJD-UHFFFAOYSA-N 2 1 243.354 2.402 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC000688405153 985631057 /nfs/dbraw/zinc/63/10/57/985631057.db2.gz MHUCIVJZWVVNFO-CYBMUJFWSA-N 2 1 210.365 2.237 20 0 BEADMP CSCC[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC001579373859 985865149 /nfs/dbraw/zinc/86/51/49/985865149.db2.gz DXAOORSRRGQAJL-LBPRGKRZSA-N 2 1 242.432 2.333 20 0 BEADMP CS[C@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC001579370311 985865541 /nfs/dbraw/zinc/86/55/41/985865541.db2.gz OLQONOCSKKREDJ-FVCCEPFGSA-N 2 1 242.432 2.391 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](CC1CC1)CC1CCC1 ZINC001579454564 985944348 /nfs/dbraw/zinc/94/43/48/985944348.db2.gz LFKUAKFGCXMGQH-DOMZBBRYSA-N 2 1 236.403 2.354 20 0 BEADMP C[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)C1CC1 ZINC001461100970 986008200 /nfs/dbraw/zinc/00/82/00/986008200.db2.gz NVZLYTZZEGKIEH-LLVKDONJSA-N 2 1 233.359 2.283 20 0 BEADMP C[C@H]1COC(C)(C)C[N@H+]1CCCCCCC[NH3+] ZINC001579492559 986019328 /nfs/dbraw/zinc/01/93/28/986019328.db2.gz LJXLGXADODNEBF-ZDUSSCGKSA-N 2 1 242.407 2.395 20 0 BEADMP Cc1cc(C)cc(CC[NH2+][C@@H]2C[NH2+]CC23CC3)c1 ZINC001579580366 986093409 /nfs/dbraw/zinc/09/34/09/986093409.db2.gz WKFAOWQNADXGOD-OAHLLOKOSA-N 2 1 244.382 2.188 20 0 BEADMP CC[C@@H](C)C[C@H](CC)[NH2+]CCC[N@@H+](C)CCO ZINC001258786950 986201021 /nfs/dbraw/zinc/20/10/21/986201021.db2.gz DAZCZUFGDAPCPU-KGLIPLIRSA-N 2 1 244.423 2.105 20 0 BEADMP Cc1ccc2c(c1)CC[N@@H+](CCC[NH2+]C1CC1)C2 ZINC001579737652 986205609 /nfs/dbraw/zinc/20/56/09/986205609.db2.gz FTWYBZSYNGXLAD-UHFFFAOYSA-N 2 1 244.382 2.495 20 0 BEADMP Cc1ccc2c(c1)CC[N@H+](CCC[NH2+]C1CC1)C2 ZINC001579737652 986205617 /nfs/dbraw/zinc/20/56/17/986205617.db2.gz FTWYBZSYNGXLAD-UHFFFAOYSA-N 2 1 244.382 2.495 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](C)[C@H]2C)CC1 ZINC001461886970 986215234 /nfs/dbraw/zinc/21/52/34/986215234.db2.gz KMHMGFYPKRRJGE-QWHCGFSZSA-N 2 1 224.392 2.449 20 0 BEADMP Cc1cccnc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC001579809145 986230937 /nfs/dbraw/zinc/23/09/37/986230937.db2.gz RQMTXVLSVTXMBO-ZDUSSCGKSA-N 2 1 247.386 2.258 20 0 BEADMP Cc1ncccc1C[NH2+][C@](C)(C[NH3+])CC(C)C ZINC001579881392 986296507 /nfs/dbraw/zinc/29/65/07/986296507.db2.gz CIJSGNJTFQNTTO-AWEZNQCLSA-N 2 1 235.375 2.243 20 0 BEADMP CCC[NH+]1C[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2C1 ZINC001202791913 986311696 /nfs/dbraw/zinc/31/16/96/986311696.db2.gz GVTMKXUVCUXMBR-OKILXGFUSA-N 2 1 222.376 2.060 20 0 BEADMP CC[N@@H+](C)C1CC[NH+](CC2CCC2)CC1 ZINC001202793289 986312608 /nfs/dbraw/zinc/31/26/08/986312608.db2.gz VJOSQRVJKRDUOI-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP [NH3+][C@@H](C[NH2+]CC[C@H]1CC=CCC1)CC(F)F ZINC001580132988 986601170 /nfs/dbraw/zinc/60/11/70/986601170.db2.gz SNQSTNRTWIHEIK-WDEREUQCSA-N 2 1 232.318 2.305 20 0 BEADMP FCC[C@@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000689443480 986612098 /nfs/dbraw/zinc/61/20/98/986612098.db2.gz AVGCHCGNLPASQN-KBPBESRZSA-N 2 1 242.382 2.448 20 0 BEADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1ccc(CF)cc1)C2 ZINC001580157745 986629534 /nfs/dbraw/zinc/62/95/34/986629534.db2.gz LRGJACPGFUAPFV-CABCVRRESA-N 2 1 248.345 2.469 20 0 BEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1ccc(CF)cc1)C2 ZINC001580157745 986629539 /nfs/dbraw/zinc/62/95/39/986629539.db2.gz LRGJACPGFUAPFV-CABCVRRESA-N 2 1 248.345 2.469 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@@](C)(CF)C2)CC1 ZINC001254515987 986658297 /nfs/dbraw/zinc/65/82/97/986658297.db2.gz ICGJJGDNLROAPS-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@@](C)(CF)C2)CC1 ZINC001254515987 986658307 /nfs/dbraw/zinc/65/83/07/986658307.db2.gz ICGJJGDNLROAPS-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@@](C)(CF)C2)CC1 ZINC001254515987 986658319 /nfs/dbraw/zinc/65/83/19/986658319.db2.gz ICGJJGDNLROAPS-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[NH2+]Cc1ccc(N[C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254522080 986666572 /nfs/dbraw/zinc/66/65/72/986666572.db2.gz BNWPXGWRAULGPE-AWEZNQCLSA-N 2 1 247.386 2.302 20 0 BEADMP [NH3+]CCC[N@@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001580298620 986736772 /nfs/dbraw/zinc/73/67/72/986736772.db2.gz QYPUDEASDMDTRE-KFWWJZLASA-N 2 1 230.355 2.071 20 0 BEADMP Cc1ccc[nH+]c1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000382410188 986746734 /nfs/dbraw/zinc/74/67/34/986746734.db2.gz DHCPKZUYEJBQHW-MNOVXSKESA-N 2 1 205.305 2.072 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)[C@@H]1C ZINC000697017865 987342415 /nfs/dbraw/zinc/34/24/15/987342415.db2.gz VAMPCPLXFRXPOG-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP CCCCC[C@@H](O)C[N@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001246067852 987356352 /nfs/dbraw/zinc/35/63/52/987356352.db2.gz VGKKOGDIYIINPO-ZIAGYGMSSA-N 2 1 242.407 2.002 20 0 BEADMP CCCCC[C@@H](O)C[N@@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001246067852 987356359 /nfs/dbraw/zinc/35/63/59/987356359.db2.gz VGKKOGDIYIINPO-ZIAGYGMSSA-N 2 1 242.407 2.002 20 0 BEADMP CCC[C@H](C)CC[C@@H](C)[NH2+]CC[NH2+]C ZINC001246072966 987360138 /nfs/dbraw/zinc/36/01/38/987360138.db2.gz OBCYAWNDJDVOSA-NWDGAFQWSA-N 2 1 200.370 2.400 20 0 BEADMP C[C@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246083814 987380987 /nfs/dbraw/zinc/38/09/87/987380987.db2.gz KHFMBHIDFPGSFM-CYDGBPFRSA-N 2 1 210.365 2.295 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246094092 987402873 /nfs/dbraw/zinc/40/28/73/987402873.db2.gz GSJCXTALRKGPGP-UKRRQHHQSA-N 2 1 232.371 2.268 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC001246101984 987423562 /nfs/dbraw/zinc/42/35/62/987423562.db2.gz NUFNGLGMBXHAMO-CIQGVGRVSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC001246102789 987429454 /nfs/dbraw/zinc/42/94/54/987429454.db2.gz QVUWSIHYHLYEBM-FDYHWXHSSA-N 2 1 210.365 2.153 20 0 BEADMP CCSC[C@H](C)[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246105880 987433079 /nfs/dbraw/zinc/43/30/79/987433079.db2.gz ONCBRDOTWPBIMD-WOPDTQHZSA-N 2 1 230.421 2.106 20 0 BEADMP CC[C@@H](CC(C)C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246116939 987459011 /nfs/dbraw/zinc/45/90/11/987459011.db2.gz HAUYEJZDTNANRD-FRRDWIJNSA-N 2 1 212.381 2.399 20 0 BEADMP Fc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C2 ZINC001246126929 987473975 /nfs/dbraw/zinc/47/39/75/987473975.db2.gz KXHAJXYRNBBECG-CABCVRRESA-N 2 1 248.345 2.025 20 0 BEADMP CCCCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246128096 987479213 /nfs/dbraw/zinc/47/92/13/987479213.db2.gz DQVPHPJEXAMCEF-NWDGAFQWSA-N 2 1 210.365 2.297 20 0 BEADMP CCCC[C@H](CCC)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246135956 987492044 /nfs/dbraw/zinc/49/20/44/987492044.db2.gz SZLARAMIKLBHFX-AVGNSLFASA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@]23C[C@H]2C[NH2+]C3)CC(C)(C)C1 ZINC001246135897 987493537 /nfs/dbraw/zinc/49/35/37/987493537.db2.gz SLTSADSSOCUXGH-CZXHOFHRSA-N 2 1 222.376 2.153 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C[C@@]2(F)CCC[NH2+]C2)C[C@@H](C)C1 ZINC001246170215 987534656 /nfs/dbraw/zinc/53/46/56/987534656.db2.gz FCODBAIPUQLPES-ZOBORPQBSA-N 2 1 242.382 2.492 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2(c3ccccc3)CC2)CC[NH2+]1 ZINC001246178539 987547933 /nfs/dbraw/zinc/54/79/33/987547933.db2.gz YWLOFUDFVYGYBR-TZMCWYRMSA-N 2 1 230.355 2.406 20 0 BEADMP C[C@@]1([NH2+]C2CCCCCC2)CCC[NH2+]C1 ZINC001246190207 987579536 /nfs/dbraw/zinc/57/95/36/987579536.db2.gz QCHCZHPHFBHQRV-CYBMUJFWSA-N 2 1 210.365 2.441 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)C[NH2+]1 ZINC001246228867 987626974 /nfs/dbraw/zinc/62/69/74/987626974.db2.gz GYCLRYSFJHDAOT-PEDHHIEDSA-N 2 1 222.376 2.295 20 0 BEADMP Cc1cccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)n1 ZINC001246240359 987641788 /nfs/dbraw/zinc/64/17/88/987641788.db2.gz VXRMXLVVMWQECH-AGIUHOORSA-N 2 1 233.359 2.181 20 0 BEADMP CCNCC[NH2+][C@H](C)Cc1cccc(Cl)c1 ZINC001246271980 987666561 /nfs/dbraw/zinc/66/65/61/987666561.db2.gz KCTXTSMRUPPKAH-LLVKDONJSA-N 2 1 240.778 2.470 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](C)Cc1cccc(Cl)c1 ZINC001246271980 987666566 /nfs/dbraw/zinc/66/65/66/987666566.db2.gz KCTXTSMRUPPKAH-LLVKDONJSA-N 2 1 240.778 2.470 20 0 BEADMP CC1(C)CC([NH2+][C@@H]2CCC[NH2+]C2)CC(C)(C)O1 ZINC001246294490 987685654 /nfs/dbraw/zinc/68/56/54/987685654.db2.gz VUPNHWDTQILEHN-LLVKDONJSA-N 2 1 240.391 2.064 20 0 BEADMP CC(C)[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001474307658 987687976 /nfs/dbraw/zinc/68/79/76/987687976.db2.gz VIWHEQYGXKTHAN-FRRDWIJNSA-N 2 1 224.392 2.493 20 0 BEADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCCc3cccnc32)CC[NH2+]1 ZINC001246296277 987690911 /nfs/dbraw/zinc/69/09/11/987690911.db2.gz RUDCHOOVYGMSGO-UBHSHLNASA-N 2 1 245.370 2.189 20 0 BEADMP CC[C@H]([NH3+])CC[NH2+][C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246303943 987700610 /nfs/dbraw/zinc/70/06/10/987700610.db2.gz BMKGONXEVGHFFZ-IGQOVBAYSA-N 3 1 241.423 2.013 20 0 BEADMP CC[NH+]1CCC(C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC001474401162 987710805 /nfs/dbraw/zinc/71/08/05/987710805.db2.gz HPTPIJMHFDOGHW-ZDUSSCGKSA-N 2 1 242.432 2.156 20 0 BEADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH2+]CC1)CCO2 ZINC001246316325 987721263 /nfs/dbraw/zinc/72/12/63/987721263.db2.gz QRLFCZKVKLAEHQ-AWEZNQCLSA-N 2 1 246.354 2.160 20 0 BEADMP CC[C@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC001246329690 987736220 /nfs/dbraw/zinc/73/62/20/987736220.db2.gz RNZYWZBMPAJHOP-MROQNXINSA-N 2 1 210.365 2.295 20 0 BEADMP CCCC[C@H]1C[C@H]([NH2+]C(C)(C)CC[NH3+])CC[NH2+]1 ZINC001246357830 987763378 /nfs/dbraw/zinc/76/33/78/987763378.db2.gz ASTHAITYFFKGAQ-QWHCGFSZSA-N 3 1 241.423 2.014 20 0 BEADMP c1ccc2c(c1)NC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246356980 987765760 /nfs/dbraw/zinc/76/57/60/987765760.db2.gz RRLOPSUMNXMMNS-OUEWMDHJSA-N 2 1 243.354 2.026 20 0 BEADMP c1ccc(CC2(C[NH2+][C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001246387899 987780497 /nfs/dbraw/zinc/78/04/97/987780497.db2.gz LUIJYUGEJHUMQJ-OAHLLOKOSA-N 2 1 244.382 2.351 20 0 BEADMP CC1([NH2+][C@@H]2CCC[NH2+]C2)CCC(F)(F)CC1 ZINC001246410466 987792504 /nfs/dbraw/zinc/79/25/04/987792504.db2.gz HFJDCLDGSYOZOQ-SNVBAGLBSA-N 2 1 232.318 2.296 20 0 BEADMP C[C@H]1C[NH2+]C[C@@H]([NH2+][C@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC001246490583 987844667 /nfs/dbraw/zinc/84/46/67/987844667.db2.gz DZQHUAVFGRRLQN-POQQGIQPSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]C2C[C@H](C)C[C@@H](C)C2)C1 ZINC001246490509 987844876 /nfs/dbraw/zinc/84/48/76/987844876.db2.gz CSACSSPBWCYWDH-BYNQJWBRSA-N 2 1 224.392 2.399 20 0 BEADMP Cc1ccc(C[C@H](C)[N@@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC001246526764 987878199 /nfs/dbraw/zinc/87/81/99/987878199.db2.gz BTBZSQIMPJGXKD-DZGCQCFKSA-N 2 1 232.371 2.349 20 0 BEADMP Cc1ccc(C[C@H](C)[N@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC001246526764 987878204 /nfs/dbraw/zinc/87/82/04/987878204.db2.gz BTBZSQIMPJGXKD-DZGCQCFKSA-N 2 1 232.371 2.349 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246526268 987878999 /nfs/dbraw/zinc/87/89/99/987878999.db2.gz ADDBXTDCFWNIJW-AVGNSLFASA-N 2 1 228.380 2.003 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246526268 987879003 /nfs/dbraw/zinc/87/90/03/987879003.db2.gz ADDBXTDCFWNIJW-AVGNSLFASA-N 2 1 228.380 2.003 20 0 BEADMP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001117743571 987886537 /nfs/dbraw/zinc/88/65/37/987886537.db2.gz IPCYXEWIBQDCJM-FVCCEPFGSA-N 2 1 242.432 2.200 20 0 BEADMP CCCCC[C@@H](C)[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246534192 987889236 /nfs/dbraw/zinc/88/92/36/987889236.db2.gz QRTWZKVDWWEOSU-VXGBXAGGSA-N 2 1 210.365 2.378 20 0 BEADMP CCCCC[C@@H](C)[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246534192 987889241 /nfs/dbraw/zinc/88/92/41/987889241.db2.gz QRTWZKVDWWEOSU-VXGBXAGGSA-N 2 1 210.365 2.378 20 0 BEADMP CCOC1CCC([N@H+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001246540008 987904551 /nfs/dbraw/zinc/90/45/51/987904551.db2.gz DXIKQFKBRPEYKH-IYXRBSQSSA-N 2 1 240.391 2.147 20 0 BEADMP Cc1cccc2c1CC[C@H]([N@@H+]1CC[C@@H]([NH3+])[C@H]1C)C2 ZINC001246542904 987913749 /nfs/dbraw/zinc/91/37/49/987913749.db2.gz MEHQNNZPAODHMQ-IVMMDQJWSA-N 2 1 244.382 2.274 20 0 BEADMP Cc1ccc2c(c1)C[N@@H+]([C@@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC001246547685 987925018 /nfs/dbraw/zinc/92/50/18/987925018.db2.gz MCZSYUFUBHUXES-XJKSGUPXSA-N 2 1 244.382 2.494 20 0 BEADMP C[C@H](CC1CC1)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246548364 987936716 /nfs/dbraw/zinc/93/67/16/987936716.db2.gz GIAITTQLRHXXJW-DGCLKSJQSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@@H](CC1CC1)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246548365 987938985 /nfs/dbraw/zinc/93/89/85/987938985.db2.gz GIAITTQLRHXXJW-WCQYABFASA-N 2 1 210.365 2.378 20 0 BEADMP CC(C)OCC[C@@H](C)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246552903 987949928 /nfs/dbraw/zinc/94/99/28/987949928.db2.gz QBZCPODKBJHSDY-KGLIPLIRSA-N 2 1 242.407 2.393 20 0 BEADMP CC(C)OCC[C@@H](C)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246552905 987953234 /nfs/dbraw/zinc/95/32/34/987953234.db2.gz QBZCPODKBJHSDY-ZIAGYGMSSA-N 2 1 242.407 2.393 20 0 BEADMP C[C@H](Cc1ccccn1)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246553091 987955599 /nfs/dbraw/zinc/95/55/99/987955599.db2.gz QWIAFTSRSYVGNQ-UKRRQHHQSA-N 2 1 247.386 2.216 20 0 BEADMP CCC[C@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246553602 987961907 /nfs/dbraw/zinc/96/19/07/987961907.db2.gz ZKEOBOMTQCNKBM-RYUDHWBXSA-N 2 1 216.344 2.328 20 0 BEADMP CCSC[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246555735 987971361 /nfs/dbraw/zinc/97/13/61/987971361.db2.gz GAKMJGFCRLIZSJ-AVGNSLFASA-N 2 1 244.448 2.435 20 0 BEADMP CCSC[C@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246557294 987972659 /nfs/dbraw/zinc/97/26/59/987972659.db2.gz KKUIOOFCGJDLNN-NWDGAFQWSA-N 2 1 248.411 2.281 20 0 BEADMP C[C@@H]1CC[N@H+](C2CCCC2)CC[C@@H]1C[NH3+] ZINC001246558594 987972679 /nfs/dbraw/zinc/97/26/79/987972679.db2.gz MQPYQKBLGQPPRI-VXGBXAGGSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)C1 ZINC001246559831 987983661 /nfs/dbraw/zinc/98/36/61/987983661.db2.gz TZIRKJMWUMGSHA-MXWKQRLJSA-N 2 1 232.318 2.091 20 0 BEADMP CCCCC[C@@H](CCC)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246558719 987987182 /nfs/dbraw/zinc/98/71/82/987987182.db2.gz MPTLRZDIUDNXCD-MGPQQGTHSA-N 2 1 242.407 2.129 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246561871 987994647 /nfs/dbraw/zinc/99/46/47/987994647.db2.gz GYAAJXMSTLJZLK-RFGFWPKPSA-N 2 1 242.407 2.249 20 0 BEADMP CCCCCC[C@H](CCC)N1C[C@@H]([NH3+])[C@H](O)C1 ZINC001246562005 987994782 /nfs/dbraw/zinc/99/47/82/987994782.db2.gz XXLCNEUKRUFFFX-BFHYXJOUSA-N 2 1 242.407 2.129 20 0 BEADMP CCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246561918 987995234 /nfs/dbraw/zinc/99/52/34/987995234.db2.gz USPCKZLEKUXPRL-FRRDWIJNSA-N 2 1 212.381 2.482 20 0 BEADMP CC(C)COCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246563448 988000653 /nfs/dbraw/zinc/00/06/53/988000653.db2.gz JWCRCFVXQUPHNM-RDBSUJKOSA-N 2 1 242.407 2.107 20 0 BEADMP CC(C)COCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246563448 988000666 /nfs/dbraw/zinc/00/06/66/988000666.db2.gz JWCRCFVXQUPHNM-RDBSUJKOSA-N 2 1 242.407 2.107 20 0 BEADMP C[C@@H]1CC[N@H+]([C@@H]2CCCSC2)CC[C@H]1C[NH3+] ZINC001246564766 988013047 /nfs/dbraw/zinc/01/30/47/988013047.db2.gz ZVISTNWUKMFYAQ-FRRDWIJNSA-N 2 1 242.432 2.189 20 0 BEADMP C[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1(F)F ZINC001246567671 988029865 /nfs/dbraw/zinc/02/98/65/988029865.db2.gz XJRKDIFYXKAAQR-YIBTVLSRSA-N 2 1 244.329 2.247 20 0 BEADMP Cc1cccc2c1C[N@@H+]([C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246566653 988033623 /nfs/dbraw/zinc/03/36/23/988033623.db2.gz IPSNYJRUCORMBQ-GXTWGEPZSA-N 2 1 230.355 2.451 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@](F)(C[NH3+])C2)C1 ZINC001246572725 988059534 /nfs/dbraw/zinc/05/95/34/988059534.db2.gz BAIOFEQMWCIJHW-AGIUHOORSA-N 2 1 228.355 2.328 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@](F)(C[NH3+])C2)C1 ZINC001246572725 988059550 /nfs/dbraw/zinc/05/95/50/988059550.db2.gz BAIOFEQMWCIJHW-AGIUHOORSA-N 2 1 228.355 2.328 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](C)[C@H](C)C2)CC[NH2+]1 ZINC001246578147 988087995 /nfs/dbraw/zinc/08/79/95/988087995.db2.gz YJQMPHGCOLYBLB-REWJHTLYSA-N 2 1 224.392 2.495 20 0 BEADMP CCSC[C@H](C)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246582507 988110066 /nfs/dbraw/zinc/11/00/66/988110066.db2.gz NCWSZHBRWQODCA-NWDGAFQWSA-N 2 1 230.421 2.189 20 0 BEADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@@H]2CCCSC2)CC1 ZINC001246579956 988104682 /nfs/dbraw/zinc/10/46/82/988104682.db2.gz VOUGVAJGNLRLPA-CHWSQXEVSA-N 2 1 242.432 2.333 20 0 BEADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001246585011 988134693 /nfs/dbraw/zinc/13/46/93/988134693.db2.gz NRZXXXUJXNWLTQ-CRWXNKLISA-N 2 1 222.376 2.236 20 0 BEADMP CCCC[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246585411 988136345 /nfs/dbraw/zinc/13/63/45/988136345.db2.gz KHALVSDSMUOPPU-SRVKXCTJSA-N 2 1 216.344 2.326 20 0 BEADMP CCCC[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246585411 988136350 /nfs/dbraw/zinc/13/63/50/988136350.db2.gz KHALVSDSMUOPPU-SRVKXCTJSA-N 2 1 216.344 2.326 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCC(F)(F)C(C)(C)C2)CC[NH2+]1 ZINC001246593978 988186138 /nfs/dbraw/zinc/18/61/38/988186138.db2.gz CNLSZIJHYAFXDO-MNOVXSKESA-N 2 1 246.345 2.494 20 0 BEADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCCOCC2)C1 ZINC001246593919 988187871 /nfs/dbraw/zinc/18/78/71/988187871.db2.gz OTSZHERGZFZJFL-ZIAGYGMSSA-N 2 1 240.391 2.006 20 0 BEADMP C[C@H]1C[C@@H]([N@H+]2CCCC[C@@](C)(C[NH3+])C2)CCO1 ZINC001246594245 988191546 /nfs/dbraw/zinc/19/15/46/988191546.db2.gz PIEDEAYFKWHYIY-IHRRRGAJSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@H]1C[C@@H]([N@H+]2CCC(F)(F)C(C)(C)C2)CC[NH2+]1 ZINC001246593979 988191865 /nfs/dbraw/zinc/19/18/65/988191865.db2.gz CNLSZIJHYAFXDO-QWRGUYRKSA-N 2 1 246.345 2.494 20 0 BEADMP CC1(C)C[C@H]([N@H+]2CCCC[C@](C)(C[NH3+])C2)CO1 ZINC001246597875 988200245 /nfs/dbraw/zinc/20/02/45/988200245.db2.gz YODAFBONJYWHFO-GXTWGEPZSA-N 2 1 240.391 2.005 20 0 BEADMP CCc1ccc(C[C@H](C)[NH+]2CC(C[NH2+]C)C2)cc1 ZINC001246601385 988204354 /nfs/dbraw/zinc/20/43/54/988204354.db2.gz SQUGOSOCDIWDFZ-ZDUSSCGKSA-N 2 1 246.398 2.331 20 0 BEADMP CCOCC[C@H](C)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246613407 988238863 /nfs/dbraw/zinc/23/88/63/988238863.db2.gz ZDXWKRBGOBWYOT-UONOGXRCSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@@H]1CC([N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)C[C@@H](C)C1 ZINC001246625031 988287178 /nfs/dbraw/zinc/28/71/78/988287178.db2.gz QTZNGDUNHBQJRF-PWNZVWSESA-N 2 1 236.403 2.495 20 0 BEADMP CC1CCC([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001246628656 988300764 /nfs/dbraw/zinc/30/07/64/988300764.db2.gz CBSVSPMQVNDZDK-IFWUJCSASA-N 2 1 208.349 2.001 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C[C@@H](C)C1 ZINC001246632916 988308501 /nfs/dbraw/zinc/30/85/01/988308501.db2.gz ISDJJFXQPGHPOI-MQLXINIDSA-N 2 1 222.376 2.247 20 0 BEADMP CCC1CCC([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001246628932 988311305 /nfs/dbraw/zinc/31/13/05/988311305.db2.gz CKELOYWNQKPCBC-CLRIEMFWSA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@H](CC(C)C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246631786 988316239 /nfs/dbraw/zinc/31/62/39/988316239.db2.gz SIOPDWHSQXIUHE-ZIAGYGMSSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H]1CC[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246640309 988337875 /nfs/dbraw/zinc/33/78/75/988337875.db2.gz SBRGLLAOYXLWIT-WUHRBBMRSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)C[C@H]1C ZINC001246642096 988344433 /nfs/dbraw/zinc/34/44/33/988344433.db2.gz ZEYVORMFGNMNBC-DHGKCCLASA-N 2 1 222.376 2.247 20 0 BEADMP CC[C@H](C[C@@H](C)CC)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246643810 988356625 /nfs/dbraw/zinc/35/66/25/988356625.db2.gz DJBDXGRZCKIJRS-IGQOVBAYSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)C1CCC([N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246647463 988363221 /nfs/dbraw/zinc/36/32/21/988363221.db2.gz SNBXTRBVSDYRJQ-YIOUJQMASA-N 2 1 222.376 2.234 20 0 BEADMP CC(C)C1CCC([N@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246647463 988363230 /nfs/dbraw/zinc/36/32/30/988363230.db2.gz SNBXTRBVSDYRJQ-YIOUJQMASA-N 2 1 222.376 2.234 20 0 BEADMP CC[C@@H](CC(C)C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246647326 988365709 /nfs/dbraw/zinc/36/57/09/988365709.db2.gz KLKSKHSCSZQZIG-RDBSUJKOSA-N 2 1 224.392 2.352 20 0 BEADMP CC[C@H](Cc1ccccc1)[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246649827 988368078 /nfs/dbraw/zinc/36/80/78/988368078.db2.gz FSQRYPJOCLBMBC-ARFHVFGLSA-N 2 1 244.382 2.301 20 0 BEADMP CC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246649827 988368092 /nfs/dbraw/zinc/36/80/92/988368092.db2.gz FSQRYPJOCLBMBC-ARFHVFGLSA-N 2 1 244.382 2.301 20 0 BEADMP CC1(C)CCC[C@@H]([N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246648427 988371192 /nfs/dbraw/zinc/37/11/92/988371192.db2.gz PRUXAGQRCJKFBR-HZSPNIEDSA-N 2 1 236.403 2.497 20 0 BEADMP CCCCC[C@H](CC)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246653892 988379019 /nfs/dbraw/zinc/37/90/19/988379019.db2.gz BMGXNDCTDAUABS-WUHRBBMRSA-N 2 1 210.365 2.234 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C2CC3(CC3(F)F)C2)CC[N@@H+]1C ZINC001118491993 988380312 /nfs/dbraw/zinc/38/03/12/988380312.db2.gz MBRKIYGXANVJSY-JYBOHDQNSA-N 2 1 244.329 2.247 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C2CC3(CC3(F)F)C2)CC[N@H+]1C ZINC001118491993 988380322 /nfs/dbraw/zinc/38/03/22/988380322.db2.gz MBRKIYGXANVJSY-JYBOHDQNSA-N 2 1 244.329 2.247 20 0 BEADMP CCC[C@@H](C)CC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246660591 988391438 /nfs/dbraw/zinc/39/14/38/988391438.db2.gz VOMDTPRPHJXJAN-POQQGIQPSA-N 2 1 224.392 2.480 20 0 BEADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246661409 988398723 /nfs/dbraw/zinc/39/87/23/988398723.db2.gz WVMYHYMFPFBHBB-MEBFFEOJSA-N 2 1 224.392 2.336 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)C[C@H]1C ZINC001246661417 988399456 /nfs/dbraw/zinc/39/94/56/988399456.db2.gz XDSBXHAHRYUXKM-RYPNDVFKSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H]1C ZINC001246667442 988408182 /nfs/dbraw/zinc/40/81/82/988408182.db2.gz KROHLJIPCZFNHG-KJWHEZOQSA-N 2 1 236.403 2.352 20 0 BEADMP CC[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC001246666798 988412387 /nfs/dbraw/zinc/41/23/87/988412387.db2.gz RTBDHAAIRCJBPT-AAVRWANBSA-N 2 1 222.376 2.378 20 0 BEADMP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001246678698 988420730 /nfs/dbraw/zinc/42/07/30/988420730.db2.gz YHNIMPGABQSGSR-XUXIUFHCSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001246678696 988426366 /nfs/dbraw/zinc/42/63/66/988426366.db2.gz YHNIMPGABQSGSR-RFQIPJPRSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOc2ccccc2)CC[NH2+]1 ZINC001246782718 988462823 /nfs/dbraw/zinc/46/28/23/988462823.db2.gz ULLLNXWVVYVOSL-KGLIPLIRSA-N 2 1 248.370 2.138 20 0 BEADMP c1ccc(C[C@@H]2CC[N@@H+]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001246789638 988470137 /nfs/dbraw/zinc/47/01/37/988470137.db2.gz DANSNFKKIRBENB-HOTGVXAUSA-N 2 1 244.382 2.303 20 0 BEADMP c1ccc(C[C@@H]2CC[N@H+]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001246789638 988470153 /nfs/dbraw/zinc/47/01/53/988470153.db2.gz DANSNFKKIRBENB-HOTGVXAUSA-N 2 1 244.382 2.303 20 0 BEADMP C[C@H]1C[C@H]([N@@H+]2Cc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246814948 988494491 /nfs/dbraw/zinc/49/44/91/988494491.db2.gz ASOUQRAXHPLEPX-IINYFYTJSA-N 2 1 234.318 2.282 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2Cc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246814948 988494495 /nfs/dbraw/zinc/49/44/95/988494495.db2.gz ASOUQRAXHPLEPX-IINYFYTJSA-N 2 1 234.318 2.282 20 0 BEADMP C[NH2+]CC[C@@H](C)[N@@H+](C)CCc1cccc(C)c1 ZINC001246815010 988495002 /nfs/dbraw/zinc/49/50/02/988495002.db2.gz UFVFFOUVJDCNQL-CQSZACIVSA-N 2 1 234.387 2.467 20 0 BEADMP CC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246851724 988568009 /nfs/dbraw/zinc/56/80/09/988568009.db2.gz GSXIIWDIUCXZFA-XHSDSOJGSA-N 2 1 244.382 2.431 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)C[C@H]1C ZINC001246856421 988578796 /nfs/dbraw/zinc/57/87/96/988578796.db2.gz XCGMYMWJYUBWPS-DGTMBMJNSA-N 2 1 222.376 2.234 20 0 BEADMP CC(C)CC[C@H](C)[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246862129 988599697 /nfs/dbraw/zinc/59/96/97/988599697.db2.gz QBMRWEPKEWYPEA-YNEHKIRRSA-N 2 1 210.365 2.234 20 0 BEADMP CCC1CCC([N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246860158 988604521 /nfs/dbraw/zinc/60/45/21/988604521.db2.gz MBBOTDGVSZQUBK-FKZOYECMSA-N 2 1 222.376 2.378 20 0 BEADMP COc1cccc2c1C[N@@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246870864 988639538 /nfs/dbraw/zinc/63/95/38/988639538.db2.gz LBAACNUYTCRATG-YPMHNXCESA-N 2 1 246.354 2.151 20 0 BEADMP COc1cccc2c1C[N@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246870864 988639550 /nfs/dbraw/zinc/63/95/50/988639550.db2.gz LBAACNUYTCRATG-YPMHNXCESA-N 2 1 246.354 2.151 20 0 BEADMP CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246875036 988643483 /nfs/dbraw/zinc/64/34/83/988643483.db2.gz XJFPIMBQEARGMU-QNWHQSFQSA-N 2 1 210.365 2.234 20 0 BEADMP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246875036 988643497 /nfs/dbraw/zinc/64/34/97/988643497.db2.gz XJFPIMBQEARGMU-QNWHQSFQSA-N 2 1 210.365 2.234 20 0 BEADMP [NH3+][C@]12C[C@H]1C[N@@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001246876201 988646068 /nfs/dbraw/zinc/64/60/68/988646068.db2.gz YIJXTWTWENLLCQ-QXSJWSMHSA-N 2 1 242.366 2.356 20 0 BEADMP [NH3+][C@]12C[C@H]1C[N@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001246876201 988646074 /nfs/dbraw/zinc/64/60/74/988646074.db2.gz YIJXTWTWENLLCQ-QXSJWSMHSA-N 2 1 242.366 2.356 20 0 BEADMP CCCC1CCC([N@@H+]2C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246923375 988740890 /nfs/dbraw/zinc/74/08/90/988740890.db2.gz YHWVUKCEPLKIEB-FKZOYECMSA-N 2 1 222.376 2.249 20 0 BEADMP CCCC1CCC([N@H+]2C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246923375 988740900 /nfs/dbraw/zinc/74/09/00/988740900.db2.gz YHWVUKCEPLKIEB-FKZOYECMSA-N 2 1 222.376 2.249 20 0 BEADMP CCC[C@H](CC)[N@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001246929975 988763695 /nfs/dbraw/zinc/76/36/95/988763695.db2.gz RDPGHCOSIJSYCQ-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[C@H](CC)[N@@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001246929975 988763703 /nfs/dbraw/zinc/76/37/03/988763703.db2.gz RDPGHCOSIJSYCQ-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)C(C)(C)OC)C1 ZINC001324240026 988765574 /nfs/dbraw/zinc/76/55/74/988765574.db2.gz QDNZPDFRQUSFLU-CHWSQXEVSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[C@@H](C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246936752 988770354 /nfs/dbraw/zinc/77/03/54/988770354.db2.gz XAFFUMJKPHXISK-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP CCCC[C@H](CC)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246948447 988784719 /nfs/dbraw/zinc/78/47/19/988784719.db2.gz QIUWDPDRHQTZEM-WUHRBBMRSA-N 2 1 210.365 2.105 20 0 BEADMP CC[C@H]([NH3+])C[N@H+](C)[C@@H](C)Cc1ccccc1F ZINC001246975472 988805576 /nfs/dbraw/zinc/80/55/76/988805576.db2.gz UPHFVRBFKNXVDG-AAEUAGOBSA-N 2 1 238.350 2.426 20 0 BEADMP CC[C@H]([NH3+])C[N@@H+](C)[C@@H](C)Cc1ccccc1F ZINC001246975472 988805581 /nfs/dbraw/zinc/80/55/81/988805581.db2.gz UPHFVRBFKNXVDG-AAEUAGOBSA-N 2 1 238.350 2.426 20 0 BEADMP CSC(C)(C)C[C@@H](C)[N@@H+](C)C[C@H](C)[NH3+] ZINC001246981888 988810049 /nfs/dbraw/zinc/81/00/49/988810049.db2.gz SWGDVIBLYKSODZ-VHSXEESVSA-N 2 1 218.410 2.186 20 0 BEADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]CCC[C@@H]1CCO1 ZINC001119243790 988858954 /nfs/dbraw/zinc/85/89/54/988858954.db2.gz YEFZANPGCVBPJX-MGPQQGTHSA-N 2 1 240.391 2.018 20 0 BEADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC001119243374 988859175 /nfs/dbraw/zinc/85/91/75/988859175.db2.gz QFWXTDMEIIZABJ-AIEDFZFUSA-N 2 1 236.403 2.495 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C/C=C\C2CC2)[C@@H]2CCC[C@@H]21 ZINC001324969393 989039465 /nfs/dbraw/zinc/03/94/65/989039465.db2.gz RAXSORIWVBRDJR-LSFZBXBFSA-N 2 1 234.387 2.415 20 0 BEADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CC(C(F)F)C1 ZINC001325634073 989220939 /nfs/dbraw/zinc/22/09/39/989220939.db2.gz DFZFLYXHYGARFJ-QQFIATSDSA-N 2 1 246.345 2.493 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(Cl)s1 ZINC001325626367 989221019 /nfs/dbraw/zinc/22/10/19/989221019.db2.gz OVKLGMZABRZOAH-QMMMGPOBSA-N 2 1 232.780 2.489 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cnc(C)s1 ZINC001325742073 989249717 /nfs/dbraw/zinc/24/97/17/989249717.db2.gz ASGRXNGUUXXJKQ-IUCAKERBSA-N 2 1 227.377 2.100 20 0 BEADMP CSC1CC([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001119688570 989336022 /nfs/dbraw/zinc/33/60/22/989336022.db2.gz IOZIVYHQMKGLGI-TYUFSLCMSA-N 2 1 242.432 2.343 20 0 BEADMP CSC1CC([NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001119688569 989336371 /nfs/dbraw/zinc/33/63/71/989336371.db2.gz IOZIVYHQMKGLGI-TUUUFIMRSA-N 2 1 242.432 2.343 20 0 BEADMP CCc1cc(N2CCC[N@H+]3CCC[C@@H]3C2)cc[nH+]1 ZINC001326492223 989583948 /nfs/dbraw/zinc/58/39/48/989583948.db2.gz NVOXXDKOGDTOHY-OAHLLOKOSA-N 2 1 245.370 2.319 20 0 BEADMP Cc1cc(C[NH2+]CC[C@H](C)[NH+](C)C)cc(C)n1 ZINC001308480027 991007491 /nfs/dbraw/zinc/00/74/91/991007491.db2.gz YNTBUQCUNSWASF-ZDUSSCGKSA-N 2 1 235.375 2.128 20 0 BEADMP C[C@H](Cc1ccco1)n1cc[nH+]c1CCC[NH3+] ZINC001258185155 991089334 /nfs/dbraw/zinc/08/93/34/991089334.db2.gz LTKYMBXYVLBQBN-LLVKDONJSA-N 2 1 233.315 2.171 20 0 BEADMP C[C@H](Cc1ccco1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001258194863 991106662 /nfs/dbraw/zinc/10/66/62/991106662.db2.gz LRTNSWINLFIYFC-UKRRQHHQSA-N 2 1 248.370 2.238 20 0 BEADMP C[C@H](Cc1ccco1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001258194863 991106666 /nfs/dbraw/zinc/10/66/66/991106666.db2.gz LRTNSWINLFIYFC-UKRRQHHQSA-N 2 1 248.370 2.238 20 0 BEADMP C[C@H](Cc1ccco1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001258194863 991106668 /nfs/dbraw/zinc/10/66/68/991106668.db2.gz LRTNSWINLFIYFC-UKRRQHHQSA-N 2 1 248.370 2.238 20 0 BEADMP CSCC[C@@H](C)[N@@H+](CCC[NH3+])C(C)C ZINC001258200047 991116109 /nfs/dbraw/zinc/11/61/09/991116109.db2.gz OMUVNRFJTADUCI-LLVKDONJSA-N 2 1 218.410 2.187 20 0 BEADMP CSCC[C@@H](C)n1c(C)c[nH+]c1CC[NH3+] ZINC001258200655 991116553 /nfs/dbraw/zinc/11/65/53/991116553.db2.gz VKPAJQPVIPOTFD-SECBINFHSA-N 2 1 227.377 2.007 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]CC1CC(OC)C1 ZINC001308797086 991138945 /nfs/dbraw/zinc/13/89/45/991138945.db2.gz BGXMIOWBNICTHE-IYXRBSQSSA-N 2 1 242.407 2.121 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CC1CC(OC)C1 ZINC001308797086 991138952 /nfs/dbraw/zinc/13/89/52/991138952.db2.gz BGXMIOWBNICTHE-IYXRBSQSSA-N 2 1 242.407 2.121 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)[C@H](C)CCSC ZINC001258224064 991159100 /nfs/dbraw/zinc/15/91/00/991159100.db2.gz KFSBKJHPUADTQA-GFCCVEGCSA-N 2 1 232.437 2.402 20 0 BEADMP C[N@@H+](CCO)CCC[NH2+]C1CCCCCCC1 ZINC001258236570 991170836 /nfs/dbraw/zinc/17/08/36/991170836.db2.gz IIJZHQKGLJBHOS-UHFFFAOYSA-N 2 1 242.407 2.003 20 0 BEADMP CC(C)SCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001308984339 991237181 /nfs/dbraw/zinc/23/71/81/991237181.db2.gz HGSBODJXOVUNOB-JHJVBQTASA-N 2 1 242.432 2.058 20 0 BEADMP C[C@H]1CCCC[C@H]1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001560043055 991365622 /nfs/dbraw/zinc/36/56/22/991365622.db2.gz LEEZMBJVCUZDHY-BTFPBAQTSA-N 2 1 236.403 2.305 20 0 BEADMP C[C@H]1CCCC[C@H]1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001560043055 991365625 /nfs/dbraw/zinc/36/56/25/991365625.db2.gz LEEZMBJVCUZDHY-BTFPBAQTSA-N 2 1 236.403 2.305 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccncc1 ZINC001560349325 991456494 /nfs/dbraw/zinc/45/64/94/991456494.db2.gz GNISMKDSGIQAHG-UHFFFAOYSA-N 2 1 244.342 2.157 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001560622564 991523315 /nfs/dbraw/zinc/52/33/15/991523315.db2.gz KSRMRUOLXDYHLW-XGFWRYKXSA-N 2 1 222.376 2.105 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)CC1 ZINC001560708082 991569076 /nfs/dbraw/zinc/56/90/76/991569076.db2.gz BATLXMGYRLGXNN-OCCSQVGLSA-N 2 1 242.382 2.398 20 0 BEADMP CC(C)SCC[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC001560813849 991607501 /nfs/dbraw/zinc/60/75/01/991607501.db2.gz JGXUBXZZTIPUBU-QWHCGFSZSA-N 2 1 244.448 2.400 20 0 BEADMP CC(C)SCC[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC001560813849 991607503 /nfs/dbraw/zinc/60/75/03/991607503.db2.gz JGXUBXZZTIPUBU-QWHCGFSZSA-N 2 1 244.448 2.400 20 0 BEADMP CC(C)SCC[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001560813849 991607507 /nfs/dbraw/zinc/60/75/07/991607507.db2.gz JGXUBXZZTIPUBU-QWHCGFSZSA-N 2 1 244.448 2.400 20 0 BEADMP CC(C)SCC[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001560813849 991607510 /nfs/dbraw/zinc/60/75/10/991607510.db2.gz JGXUBXZZTIPUBU-QWHCGFSZSA-N 2 1 244.448 2.400 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C2(C[NH3+])CC2)CC(C)(C)C1 ZINC001258692982 991625906 /nfs/dbraw/zinc/62/59/06/991625906.db2.gz SMPUVVCZNSZPGC-WDEREUQCSA-N 2 1 210.365 2.282 20 0 BEADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C1(C[NH3+])CC1 ZINC001258743939 991693431 /nfs/dbraw/zinc/69/34/31/991693431.db2.gz MSHRYAYNARIAID-JTQLQIEISA-N 2 1 238.762 2.352 20 0 BEADMP C[C@H](CC1CCC1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001561052481 991705116 /nfs/dbraw/zinc/70/51/16/991705116.db2.gz BZENTAHWHLDEKX-REBRKWNGSA-N 2 1 236.403 2.495 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[N@H+](C)CC ZINC001258907007 991895086 /nfs/dbraw/zinc/89/50/86/991895086.db2.gz CQHZEIXXUFSSML-LBPRGKRZSA-N 2 1 200.370 2.449 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C=C(N)C=CC1 ZINC001258902239 991897083 /nfs/dbraw/zinc/89/70/83/991897083.db2.gz BBLSFPFGIAKEJU-ZDUSSCGKSA-N 2 1 237.391 2.169 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001258908288 991899834 /nfs/dbraw/zinc/89/98/34/991899834.db2.gz ULHLEECAGSAPBX-RWMBFGLXSA-N 2 1 248.361 2.489 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001258908288 991899837 /nfs/dbraw/zinc/89/98/37/991899837.db2.gz ULHLEECAGSAPBX-RWMBFGLXSA-N 2 1 248.361 2.489 20 0 BEADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccnc2)C1 ZINC001320548404 992241298 /nfs/dbraw/zinc/24/12/98/992241298.db2.gz SNIOBZLGIIARIA-KGLIPLIRSA-N 2 1 247.386 2.464 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccnc2)C1 ZINC001320548404 992241313 /nfs/dbraw/zinc/24/13/13/992241313.db2.gz SNIOBZLGIIARIA-KGLIPLIRSA-N 2 1 247.386 2.464 20 0 BEADMP CC(C)C1CC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)C1 ZINC001474757404 992522624 /nfs/dbraw/zinc/52/26/24/992522624.db2.gz VSLRNXZGWWHELY-BZTHDZJNSA-N 2 1 236.403 2.351 20 0 BEADMP CCC[C@H](C[NH2+]C[C@H]1CCC[N@@H+](CC)C1)OC ZINC001262008730 992591392 /nfs/dbraw/zinc/59/13/92/992591392.db2.gz WNCLOTQIIWJNIR-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](CC)C1)OC ZINC001262008728 992593060 /nfs/dbraw/zinc/59/30/60/992593060.db2.gz WNCLOTQIIWJNIR-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccco3)C[C@@H]2C1 ZINC001262378400 992871821 /nfs/dbraw/zinc/87/18/21/992871821.db2.gz AULHWUJQRZADQH-MELADBBJSA-N 2 1 248.370 2.442 20 0 BEADMP C1=C[C@H]2CC[C@@H](C1)[N@@H+]2CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001574774403 992903702 /nfs/dbraw/zinc/90/37/02/992903702.db2.gz MPYHVJZJAAQFQV-OLMTUDMXSA-N 2 1 232.371 2.310 20 0 BEADMP C(C[N@H+]1CC[C@@H](C2CCC2)C1)[C@@H]1CC[NH2+]C1 ZINC001574773949 992904638 /nfs/dbraw/zinc/90/46/38/992904638.db2.gz HNPIXMNJYDCNHK-GXTWGEPZSA-N 2 1 222.376 2.108 20 0 BEADMP CC(C)(C)OCCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001575249802 992999909 /nfs/dbraw/zinc/99/99/09/992999909.db2.gz MNXAGVCYPAHVMR-TZMCWYRMSA-N 2 1 240.391 2.005 20 0 BEADMP CC(C)(C)OCCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001575249802 992999915 /nfs/dbraw/zinc/99/99/15/992999915.db2.gz MNXAGVCYPAHVMR-TZMCWYRMSA-N 2 1 240.391 2.005 20 0 BEADMP CC(C)(C)OCCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC001575249796 993002211 /nfs/dbraw/zinc/00/22/11/993002211.db2.gz MNXAGVCYPAHVMR-GXTWGEPZSA-N 2 1 240.391 2.005 20 0 BEADMP CC(C)(C)OCCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC001575249796 993002218 /nfs/dbraw/zinc/00/22/18/993002218.db2.gz MNXAGVCYPAHVMR-GXTWGEPZSA-N 2 1 240.391 2.005 20 0 BEADMP CC(C)(C[NH3+])C[NH+]1CC(C)(c2ccccc2)C1 ZINC001575315611 993009489 /nfs/dbraw/zinc/00/94/89/993009489.db2.gz SWCGSTOYZUEJNI-UHFFFAOYSA-N 2 1 232.371 2.245 20 0 BEADMP CC(C)(C[NH3+])[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC001575318389 993012568 /nfs/dbraw/zinc/01/25/68/993012568.db2.gz SLUXTDLSRNYUEA-UHFFFAOYSA-N 2 1 248.370 2.302 20 0 BEADMP CC(C)[C@H]1CCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001575500631 993060695 /nfs/dbraw/zinc/06/06/95/993060695.db2.gz MMDWAOAFCKDENK-YNEHKIRRSA-N 2 1 210.365 2.234 20 0 BEADMP CC(C)[C@H]1[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC12CCC2 ZINC001575519480 993061649 /nfs/dbraw/zinc/06/16/49/993061649.db2.gz CNTRXNRBJQXGTQ-FRRDWIJNSA-N 2 1 222.376 2.234 20 0 BEADMP C[C@H](CCc1ccccc1F)[NH2+]C[C@@H]1CC[NH2+]1 ZINC001575965757 993143542 /nfs/dbraw/zinc/14/35/42/993143542.db2.gz FHUSVRMKBZFBKR-YPMHNXCESA-N 2 1 236.334 2.098 20 0 BEADMP C[C@@H](CO)[N@@H+](CCCCCC[NH3+])C1CCCC1 ZINC001576039276 993165163 /nfs/dbraw/zinc/16/51/63/993165163.db2.gz ZFHQRALFSOPKOO-ZDUSSCGKSA-N 2 1 242.407 2.131 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2F)CC1 ZINC000378668105 993198226 /nfs/dbraw/zinc/19/82/26/993198226.db2.gz HUSFACPHPOANLZ-JHJVBQTASA-N 2 1 228.355 2.341 20 0 BEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)[C@H]1CCCCO1 ZINC001576232680 993223145 /nfs/dbraw/zinc/22/31/45/993223145.db2.gz BGKZVZJFBSOFQR-IACUBPJLSA-N 2 1 240.391 2.051 20 0 BEADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](C[NH3+])C2)CCO1 ZINC000380075542 993310617 /nfs/dbraw/zinc/31/06/17/993310617.db2.gz RBXVCOGWQJIWAM-HZSPNIEDSA-N 2 1 240.391 2.005 20 0 BEADMP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)CCO1 ZINC000380075539 993312443 /nfs/dbraw/zinc/31/24/43/993312443.db2.gz RBXVCOGWQJIWAM-BFHYXJOUSA-N 2 1 240.391 2.005 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2C=CCCC2)CC1 ZINC000380360458 993329042 /nfs/dbraw/zinc/32/90/42/993329042.db2.gz YHHHNRMTSMSEEO-CHWSQXEVSA-N 2 1 208.349 2.169 20 0 BEADMP C[C@]1(F)CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001576527916 993333759 /nfs/dbraw/zinc/33/37/59/993333759.db2.gz LNBXJXGNLRNHTN-ZDUSSCGKSA-N 2 1 228.355 2.200 20 0 BEADMP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CCC2(CCC2)C1 ZINC000380561646 993335940 /nfs/dbraw/zinc/33/59/40/993335940.db2.gz MCDKRCNFJLQFSJ-OAHLLOKOSA-N 2 1 244.382 2.432 20 0 BEADMP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CCC2(CCC2)C1 ZINC000380561646 993335949 /nfs/dbraw/zinc/33/59/49/993335949.db2.gz MCDKRCNFJLQFSJ-OAHLLOKOSA-N 2 1 244.382 2.432 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)CC[NH2+]1 ZINC001576598528 993363744 /nfs/dbraw/zinc/36/37/44/993363744.db2.gz MGCDWEBVEFKCJJ-MPTQWLOMSA-N 2 1 248.414 2.495 20 0 BEADMP C[C@H]1CCC(F)(F)C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001576657665 993384191 /nfs/dbraw/zinc/38/41/91/993384191.db2.gz PWZPMEMPIWTODR-RYUDHWBXSA-N 2 1 246.345 2.496 20 0 BEADMP C[C@H]1CCC(F)(F)C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001576657665 993384196 /nfs/dbraw/zinc/38/41/96/993384196.db2.gz PWZPMEMPIWTODR-RYUDHWBXSA-N 2 1 246.345 2.496 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)CS1 ZINC001576671357 993391077 /nfs/dbraw/zinc/39/10/77/993391077.db2.gz YTBMEGYBQQLLFW-DDHJBXDOSA-N 2 1 228.405 2.001 20 0 BEADMP CC(C)C([NH2+][C@H]1C[NH2+]C[C@H](C)C1)C(C)C ZINC001576849777 993434663 /nfs/dbraw/zinc/43/46/63/993434663.db2.gz KEFAXJHQERADKR-VXGBXAGGSA-N 2 1 212.381 2.255 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC001576750617 993415485 /nfs/dbraw/zinc/41/54/85/993415485.db2.gz WCXSLATZKIFRNQ-YIYPIFLZSA-N 2 1 222.376 2.319 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C/C=C\C2CC2)CC[N@H+]1C ZINC000382312871 993448520 /nfs/dbraw/zinc/44/85/20/993448520.db2.gz QPCUKPDTDLLCIG-ZMQQHQCJSA-N 2 1 208.349 2.025 20 0 BEADMP C[C@H]1Oc2ccccc2[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001576913893 993452924 /nfs/dbraw/zinc/45/29/24/993452924.db2.gz MBJIEGWBAOZAEV-LALPHHSUSA-N 2 1 246.354 2.098 20 0 BEADMP C[C@@H]1c2c(F)cccc2CC[N@H+]1CC1(C[NH3+])CC1 ZINC001576915213 993454859 /nfs/dbraw/zinc/45/48/59/993454859.db2.gz UKIDBLAJBNPNEF-LLVKDONJSA-N 2 1 248.345 2.484 20 0 BEADMP C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC1(C[NH3+])CC1 ZINC001576915213 993454862 /nfs/dbraw/zinc/45/48/62/993454862.db2.gz UKIDBLAJBNPNEF-LLVKDONJSA-N 2 1 248.345 2.484 20 0 BEADMP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+][C@@H]1C ZINC001577096591 993500627 /nfs/dbraw/zinc/50/06/27/993500627.db2.gz ROKBEOXLYBQBCO-YUELXQCFSA-N 2 1 232.371 2.348 20 0 BEADMP [NH3+]CCCC[N@H+]1CC[C@H](OCc2ccccc2)C1 ZINC000383986454 993532531 /nfs/dbraw/zinc/53/25/31/993532531.db2.gz AUYLDGSUBBHUGY-HNNXBMFYSA-N 2 1 248.370 2.016 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[NH2+]C[C@H](C)C2)c1C ZINC000385170639 993649870 /nfs/dbraw/zinc/64/98/70/993649870.db2.gz FRFXGLKYLQOONW-LBPRGKRZSA-N 2 1 232.371 2.345 20 0 BEADMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000385233085 993654279 /nfs/dbraw/zinc/65/42/79/993654279.db2.gz SDVZYAXIQSDPIK-ZDUSSCGKSA-N 2 1 244.382 2.217 20 0 BEADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000385233085 993654283 /nfs/dbraw/zinc/65/42/83/993654283.db2.gz SDVZYAXIQSDPIK-ZDUSSCGKSA-N 2 1 244.382 2.217 20 0 BEADMP C1C[N@H+](C2CCCCCCC2)[C@@H]2C[NH2+]C[C@H]12 ZINC000385379860 993659830 /nfs/dbraw/zinc/65/98/30/993659830.db2.gz NSWOINBDXRZPET-GXTWGEPZSA-N 2 1 222.376 2.393 20 0 BEADMP COc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1 ZINC000386498469 993688221 /nfs/dbraw/zinc/68/82/21/993688221.db2.gz YRHCEPSOMOTCAM-AWEZNQCLSA-N 2 1 248.370 2.256 20 0 BEADMP C[N@@H+](C[C@H]1CC1(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000700672775 993846131 /nfs/dbraw/zinc/84/61/31/993846131.db2.gz NJPMFUKPSUBXGJ-FKJOKYEKSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2CCCC(F)(F)CC2)CC[NH2+]1 ZINC000702795779 994049270 /nfs/dbraw/zinc/04/92/70/994049270.db2.gz CHWSYCCGNRHLSC-WDEREUQCSA-N 2 1 232.318 2.248 20 0 BEADMP Cc1cccnc1CCC[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000822111332 994416468 /nfs/dbraw/zinc/41/64/68/994416468.db2.gz JJGNTYZKGCKLGO-KBPBESRZSA-N 2 1 247.386 2.053 20 0 BEADMP Cc1cccnc1CCC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000822111334 994417924 /nfs/dbraw/zinc/41/79/24/994417924.db2.gz JJGNTYZKGCKLGO-KGLIPLIRSA-N 2 1 247.386 2.053 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCc2ccccc21 ZINC001334389927 994589221 /nfs/dbraw/zinc/58/92/21/994589221.db2.gz KJPHHWZTUQXFDS-BJJXKVORSA-N 2 1 244.382 2.447 20 0 BEADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2C1 ZINC001335584623 994820570 /nfs/dbraw/zinc/82/05/70/994820570.db2.gz WXKFMLDIXIFISH-HZSPNIEDSA-N 2 1 222.376 2.059 20 0 BEADMP C[NH+](C)C[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000023069975 1170487915 /nfs/dbraw/zinc/48/79/15/1170487915.db2.gz YTAFOHJEJRSXPZ-PRTVBDMESA-N 2 1 222.376 2.092 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCCCC3)[C@@H]2C1 ZINC001621107915 1170716815 /nfs/dbraw/zinc/71/68/15/1170716815.db2.gz CQWDGDSIFGGARO-IACUBPJLSA-N 2 1 222.376 2.249 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CC[C@H]3C[C@H]3C2)CC1 ZINC001621452397 1170812263 /nfs/dbraw/zinc/81/22/63/1170812263.db2.gz UXTNUILVQQSWJK-KBPBESRZSA-N 2 1 222.376 2.060 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC(C)(C)C3)[C@H]2C1 ZINC001621569796 1170856002 /nfs/dbraw/zinc/85/60/02/1170856002.db2.gz FBDVZMFMTKOXJO-CRWXNKLISA-N 2 1 236.403 2.495 20 0 BEADMP CC(C)(C)C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000031994536 1170881603 /nfs/dbraw/zinc/88/16/03/1170881603.db2.gz DGSZIPDFMDDZIR-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000043326919 1171282042 /nfs/dbraw/zinc/28/20/42/1171282042.db2.gz DCIHIAUBTFHRTO-JSGCOSHPSA-N 2 1 248.370 2.055 20 0 BEADMP c1[nH]c2ccccc2c1CC[NH2+][C@H]1CCC[NH2+]C1 ZINC000043324542 1171283289 /nfs/dbraw/zinc/28/32/89/1171283289.db2.gz YYTDJBIYVKHKAK-ZDUSSCGKSA-N 2 1 243.354 2.052 20 0 BEADMP CCCC[C@H](CC)C[N@H+](C)CC[NH2+]C ZINC000043455298 1171290575 /nfs/dbraw/zinc/29/05/75/1171290575.db2.gz QXSAIAWSACGHFN-LBPRGKRZSA-N 2 1 200.370 2.354 20 0 BEADMP CCCC[C@H](CC)C[N@@H+](C)CC[NH2+]C ZINC000043455298 1171290583 /nfs/dbraw/zinc/29/05/83/1171290583.db2.gz QXSAIAWSACGHFN-LBPRGKRZSA-N 2 1 200.370 2.354 20 0 BEADMP Cc1ccc[nH+]c1NCC(C)(C)C[NH+](C)C ZINC000051040855 1171869353 /nfs/dbraw/zinc/86/93/53/1171869353.db2.gz CLZDJVVPCUWUIL-UHFFFAOYSA-N 2 1 221.348 2.390 20 0 BEADMP Cc1ccc[nH+]c1NCc1ccc(C[NH3+])cc1 ZINC000051040751 1171868005 /nfs/dbraw/zinc/86/80/05/1171868005.db2.gz IVSRPWDYDSFLPU-UHFFFAOYSA-N 2 1 227.311 2.461 20 0 BEADMP CCC(CC)(CCO)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000338369533 168320462 /nfs/dbraw/zinc/32/04/62/168320462.db2.gz TUVHTVFRDFZDNH-ZDUSSCGKSA-N 2 1 242.407 2.002 20 0 BEADMP C[NH2+]CCC[N@H+]1CCCc2ccccc2C1 ZINC000062944542 349502451 /nfs/dbraw/zinc/50/24/51/349502451.db2.gz ABRWOZFRWJSOIW-UHFFFAOYSA-N 2 1 218.344 2.044 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cs1 ZINC000294997678 178001755 /nfs/dbraw/zinc/00/17/55/178001755.db2.gz YLDNPJGQCGKDMX-LBPRGKRZSA-N 2 1 238.400 2.440 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cs1 ZINC000294997678 178001756 /nfs/dbraw/zinc/00/17/56/178001756.db2.gz YLDNPJGQCGKDMX-LBPRGKRZSA-N 2 1 238.400 2.440 20 0 BEADMP CC[C@@H]1C[C@@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)CCO1 ZINC000379794777 398169054 /nfs/dbraw/zinc/16/90/54/398169054.db2.gz CFHZLLANZGWQEZ-MELADBBJSA-N 2 1 242.407 2.262 20 0 BEADMP CC[C@@H]1C[C@@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)CCO1 ZINC000379794777 398169055 /nfs/dbraw/zinc/16/90/55/398169055.db2.gz CFHZLLANZGWQEZ-MELADBBJSA-N 2 1 242.407 2.262 20 0 BEADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000415096562 398161545 /nfs/dbraw/zinc/16/15/45/398161545.db2.gz BKVBIUDRBNOBNT-AVGNSLFASA-N 2 1 233.359 2.120 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000301012144 349515146 /nfs/dbraw/zinc/51/51/46/349515146.db2.gz YZIPOXSYKJSEMR-AVGNSLFASA-N 2 1 212.381 2.480 20 0 BEADMP Cc1cc(F)ccc1C[NH2+]CCC[NH+](C)C ZINC000050569111 178086120 /nfs/dbraw/zinc/08/61/20/178086120.db2.gz AKQBEAUBXGLZGF-UHFFFAOYSA-N 2 1 224.323 2.175 20 0 BEADMP Cc1cc(F)ccc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000228060308 178086181 /nfs/dbraw/zinc/08/61/81/178086181.db2.gz DMRVSFGPYCYWEG-NEPJUHHUSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1cc(N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)nc(C)[nH+]1 ZINC000302570089 178100915 /nfs/dbraw/zinc/10/09/15/178100915.db2.gz YNNBETJQWJGVJP-WCQYABFASA-N 2 1 248.374 2.012 20 0 BEADMP Cc1cc(N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)nc(C)[nH+]1 ZINC000302570089 178100917 /nfs/dbraw/zinc/10/09/17/178100917.db2.gz YNNBETJQWJGVJP-WCQYABFASA-N 2 1 248.374 2.012 20 0 BEADMP C[N@@H+]1CCCC12CC[NH+](CCC1CC1)CC2 ZINC000335989715 187327249 /nfs/dbraw/zinc/32/72/49/187327249.db2.gz YDCRELIYSOYAMD-UHFFFAOYSA-N 2 1 222.376 2.347 20 0 BEADMP C[N@H+]1CCCC12CC[NH+](CCC1CC1)CC2 ZINC000335989715 187327251 /nfs/dbraw/zinc/32/72/51/187327251.db2.gz YDCRELIYSOYAMD-UHFFFAOYSA-N 2 1 222.376 2.347 20 0 BEADMP Cc1n[nH]cc1[C@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000643496593 398205719 /nfs/dbraw/zinc/20/57/19/398205719.db2.gz BFFQBFCCDJHXFQ-JTQLQIEISA-N 2 1 236.363 2.030 20 0 BEADMP [NH3+]C[C@@H]1C[N@@H+](CCC2CCCCC2)CCCO1 ZINC000313384187 398213876 /nfs/dbraw/zinc/21/38/76/398213876.db2.gz QWRQQNLKAIJEAX-CQSZACIVSA-N 2 1 240.391 2.006 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000576362788 365577806 /nfs/dbraw/zinc/57/78/06/365577806.db2.gz UOSBEYXVALMPSV-BARDWOONSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1cc(NCC2=CC[N@@H+](C)CC2)cc[nH+]1 ZINC000274864465 178157719 /nfs/dbraw/zinc/15/77/19/178157719.db2.gz DLLKJMPNBJIFSU-UHFFFAOYSA-N 2 1 217.316 2.064 20 0 BEADMP Cc1cc(NCC[N@@H+](C)C2CCCC2)nc(C)[nH+]1 ZINC000071377626 178159464 /nfs/dbraw/zinc/15/94/64/178159464.db2.gz NLQVLQDISYPRDN-UHFFFAOYSA-N 2 1 248.374 2.380 20 0 BEADMP Cc1cc(NCC[N@H+](C)C2CCCC2)nc(C)[nH+]1 ZINC000071377626 178159465 /nfs/dbraw/zinc/15/94/65/178159465.db2.gz NLQVLQDISYPRDN-UHFFFAOYSA-N 2 1 248.374 2.380 20 0 BEADMP Cc1cc(NC[C@H]2[NH2+]CCCC2(C)C)nc(C)[nH+]1 ZINC000235828291 178169754 /nfs/dbraw/zinc/16/97/54/178169754.db2.gz KQAFIHANBHGIPY-GFCCVEGCSA-N 2 1 248.374 2.284 20 0 BEADMP CCC(CC)C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040591995 168350620 /nfs/dbraw/zinc/35/06/20/168350620.db2.gz QQYVXTPZADTXJB-CYBMUJFWSA-N 2 1 212.381 2.354 20 0 BEADMP Cc1cc(N[C@@H](C[NH3+])C2CCCC2)nc(C)[nH+]1 ZINC000235833237 178181075 /nfs/dbraw/zinc/18/10/75/178181075.db2.gz LMTATQQXWULNHS-LBPRGKRZSA-N 2 1 234.347 2.023 20 0 BEADMP Cc1cc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)nc(C)n1 ZINC000275772851 178184281 /nfs/dbraw/zinc/18/42/81/178184281.db2.gz HEZKWKBBHHEDKD-CMPLNLGQSA-N 2 1 246.358 2.131 20 0 BEADMP Cc1cc(N[C@H](C[NH3+])C2CCCCC2)nc(C)[nH+]1 ZINC000130871634 178186814 /nfs/dbraw/zinc/18/68/14/178186814.db2.gz SYNUUQZZACXYHQ-CYBMUJFWSA-N 2 1 248.374 2.413 20 0 BEADMP Cc1cc(N[C@H](C[NH3+])C2CCCC2)nc(C)[nH+]1 ZINC000235852689 178187902 /nfs/dbraw/zinc/18/79/02/178187902.db2.gz LMTATQQXWULNHS-GFCCVEGCSA-N 2 1 234.347 2.023 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](C)CCC1CC1 ZINC000173367991 259303081 /nfs/dbraw/zinc/30/30/81/259303081.db2.gz VYRLGTRCSYAJKM-UHFFFAOYSA-N 2 1 212.381 2.450 20 0 BEADMP Cc1ccccc1OCCC[N@@H+](C)CCC[NH3+] ZINC000430568565 398228717 /nfs/dbraw/zinc/22/87/17/398228717.db2.gz HMPDOTYIYPMECI-UHFFFAOYSA-N 2 1 236.359 2.045 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000336713139 168353150 /nfs/dbraw/zinc/35/31/50/168353150.db2.gz VJPYILLMAYXVGC-OLZOCXBDSA-N 2 1 210.365 2.106 20 0 BEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000191894859 361775139 /nfs/dbraw/zinc/77/51/39/361775139.db2.gz DAIRTCTUKFJPSR-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000191894859 361775146 /nfs/dbraw/zinc/77/51/46/361775146.db2.gz DAIRTCTUKFJPSR-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000191894872 361775716 /nfs/dbraw/zinc/77/57/16/361775716.db2.gz DAIRTCTUKFJPSR-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000191894872 361775720 /nfs/dbraw/zinc/77/57/20/361775720.db2.gz DAIRTCTUKFJPSR-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000280191513 538936888 /nfs/dbraw/zinc/93/68/88/538936888.db2.gz SGBNTLVGKBTOLG-UKRRQHHQSA-N 2 1 247.386 2.005 20 0 BEADMP C[C@@H]1CCC[C@H](C)[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000381615838 398253999 /nfs/dbraw/zinc/25/39/99/398253999.db2.gz VEZKRZHDMVYNPY-AGIUHOORSA-N 2 1 210.365 2.106 20 0 BEADMP C(C1CCC1)[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000381423443 398257446 /nfs/dbraw/zinc/25/74/46/398257446.db2.gz XZFKCOMRZMTZJL-UHFFFAOYSA-N 2 1 208.349 2.003 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CCSC[C@@H](C)C1 ZINC000191896817 361827440 /nfs/dbraw/zinc/82/74/40/361827440.db2.gz USNAKJMQYPXUJM-ZDUSSCGKSA-N 2 1 244.448 2.403 20 0 BEADMP C[C@@H]1CCC[C@@H](C)[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000381615841 398266866 /nfs/dbraw/zinc/26/68/66/398266866.db2.gz VEZKRZHDMVYNPY-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)[C@H](C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251282450 398268383 /nfs/dbraw/zinc/26/83/83/398268383.db2.gz DPVZYFJCQRJZFN-MCIONIFRSA-N 2 1 224.392 2.495 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000189045730 346856631 /nfs/dbraw/zinc/85/66/31/346856631.db2.gz UWBDSZXJRAUISI-CYBMUJFWSA-N 2 1 222.376 2.393 20 0 BEADMP CCC[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000166564058 361852321 /nfs/dbraw/zinc/85/23/21/361852321.db2.gz OLEZZIJKLHVHHJ-LBPRGKRZSA-N 2 1 200.370 2.495 20 0 BEADMP CSC1(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000600191490 342698113 /nfs/dbraw/zinc/69/81/13/342698113.db2.gz PJULDOZPVUFNLO-GFCCVEGCSA-N 2 1 242.432 2.204 20 0 BEADMP CC(C)CCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000165543713 361842303 /nfs/dbraw/zinc/84/23/03/361842303.db2.gz PFJSTGBXRXESFE-CYBMUJFWSA-N 2 1 212.381 2.483 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(C)n1 ZINC000335614039 136237409 /nfs/dbraw/zinc/23/74/09/136237409.db2.gz NHXKWCRLSNABJM-NHYWBVRUSA-N 2 1 247.386 2.115 20 0 BEADMP C[C@@H]1CC[C@@H](C)[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000162252474 349622265 /nfs/dbraw/zinc/62/22/65/349622265.db2.gz GTVWDZDQMYCWBA-UPJWGTAASA-N 2 1 210.365 2.344 20 0 BEADMP CCC(CC)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036996878 168393628 /nfs/dbraw/zinc/39/36/28/168393628.db2.gz CHGDKWVCPMPNOV-QWHCGFSZSA-N 2 1 210.365 2.391 20 0 BEADMP CCC(CC)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036996878 168393630 /nfs/dbraw/zinc/39/36/30/168393630.db2.gz CHGDKWVCPMPNOV-QWHCGFSZSA-N 2 1 210.365 2.391 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000045690493 538992904 /nfs/dbraw/zinc/99/29/04/538992904.db2.gz NKJAQYJUORWCSY-RYUDHWBXSA-N 2 1 200.370 2.351 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CC2(C)CCC2)C1 ZINC000381538170 539003050 /nfs/dbraw/zinc/00/30/50/539003050.db2.gz HKIZLYPZVWEFGA-ZDUSSCGKSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H](CC1CCC1)[NH2+]CCc1c[nH+]cn1C ZINC000390556910 539026515 /nfs/dbraw/zinc/02/65/15/539026515.db2.gz QUZUNFDSBKZLCF-LLVKDONJSA-N 2 1 221.348 2.131 20 0 BEADMP Clc1sccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000312755062 259324990 /nfs/dbraw/zinc/32/49/90/259324990.db2.gz BGGBODIBZKAZLK-SECBINFHSA-N 2 1 244.791 2.491 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CC[C@H](C)NC2)C1 ZINC000062948547 539017226 /nfs/dbraw/zinc/01/72/26/539017226.db2.gz HPAUANATDMMYES-QNWHQSFQSA-N 2 1 210.365 2.105 20 0 BEADMP Cc1ccc(CCC[NH2+]C2CC[NH+](C)CC2)cn1 ZINC000353933109 136242769 /nfs/dbraw/zinc/24/27/69/136242769.db2.gz UWWMONNNMSDUMR-UHFFFAOYSA-N 2 1 247.386 2.006 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+]C/C=C/c1ccccc1 ZINC000401649125 342866634 /nfs/dbraw/zinc/86/66/34/342866634.db2.gz OBEIXLPRSJDYRC-VMPITWQZSA-N 2 1 241.338 2.266 20 0 BEADMP CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134871884 342909113 /nfs/dbraw/zinc/90/91/13/342909113.db2.gz KUKRNAUGFUSGAA-TZMCWYRMSA-N 2 1 222.376 2.345 20 0 BEADMP CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134871884 342909115 /nfs/dbraw/zinc/90/91/15/342909115.db2.gz KUKRNAUGFUSGAA-TZMCWYRMSA-N 2 1 222.376 2.345 20 0 BEADMP CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134871884 342909117 /nfs/dbraw/zinc/90/91/17/342909117.db2.gz KUKRNAUGFUSGAA-TZMCWYRMSA-N 2 1 222.376 2.345 20 0 BEADMP CSCC[C@@H](C)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000156910542 398339688 /nfs/dbraw/zinc/33/96/88/398339688.db2.gz ZIWWWCPNIHIGNO-GFCCVEGCSA-N 2 1 244.448 2.450 20 0 BEADMP CC[C@H](CSC)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000162387444 349684181 /nfs/dbraw/zinc/68/41/81/349684181.db2.gz MRYSGFNAQBSGMJ-JHJVBQTASA-N 2 1 242.432 2.344 20 0 BEADMP CC(C)(C)OCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000308739977 346906685 /nfs/dbraw/zinc/90/66/85/346906685.db2.gz OANKCGKJXVAELP-UHFFFAOYSA-N 2 1 240.391 2.018 20 0 BEADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccncc1 ZINC000019942941 342963930 /nfs/dbraw/zinc/96/39/30/342963930.db2.gz FNVUOYJYXPHTBI-CYBMUJFWSA-N 2 1 235.375 2.464 20 0 BEADMP CCC[NH+]1CCC([NH2+]Cc2cccnc2C)CC1 ZINC000236779593 346910529 /nfs/dbraw/zinc/91/05/29/346910529.db2.gz DTTPYIBTAUJBNH-UHFFFAOYSA-N 2 1 247.386 2.354 20 0 BEADMP CC(C)C[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000355693237 187212847 /nfs/dbraw/zinc/21/28/47/187212847.db2.gz VBYXETRAMKOWCI-CHWSQXEVSA-N 2 1 212.381 2.305 20 0 BEADMP C[C@@H](Cc1ccsc1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000235130231 342987799 /nfs/dbraw/zinc/98/77/99/342987799.db2.gz MJFHYXJZBAOCAP-CMPLNLGQSA-N 2 1 224.373 2.021 20 0 BEADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC000044534712 343008990 /nfs/dbraw/zinc/00/89/90/343008990.db2.gz VGXXQNXKFBSYFR-LBPRGKRZSA-N 2 1 236.334 2.257 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC000044534712 343008991 /nfs/dbraw/zinc/00/89/91/343008991.db2.gz VGXXQNXKFBSYFR-LBPRGKRZSA-N 2 1 236.334 2.257 20 0 BEADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000044534339 343009009 /nfs/dbraw/zinc/00/90/09/343009009.db2.gz HLBWHADIAQDQGD-LBPRGKRZSA-N 2 1 238.400 2.488 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H](c1ccccc1)C1CC1 ZINC000235146774 259342339 /nfs/dbraw/zinc/34/23/39/259342339.db2.gz VRBYNXFJJCLYPK-GXFFZTMASA-N 2 1 204.317 2.075 20 0 BEADMP C([C@@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCCC1 ZINC000120102058 187222567 /nfs/dbraw/zinc/22/25/67/187222567.db2.gz KJAHEQMMGPZNKL-ZDUSSCGKSA-N 2 1 222.376 2.347 20 0 BEADMP Cn1c[nH+]cc1CCC[N@H+](C)CCC1CC1 ZINC000576834690 365699102 /nfs/dbraw/zinc/69/91/02/365699102.db2.gz OWQZBUQMHOMOOP-UHFFFAOYSA-N 2 1 221.348 2.085 20 0 BEADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCC1CC1 ZINC000576834690 365699105 /nfs/dbraw/zinc/69/91/05/365699105.db2.gz OWQZBUQMHOMOOP-UHFFFAOYSA-N 2 1 221.348 2.085 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C2CCCC2)[C@H]2CCC[C@@H]21 ZINC000367625810 187229270 /nfs/dbraw/zinc/22/92/70/187229270.db2.gz ZAJPPFXMGKLSJP-RDBSUJKOSA-N 2 1 222.376 2.391 20 0 BEADMP COCC[N@@H+](C)CCC[NH2+]C1CCCCCC1 ZINC000119550111 343083726 /nfs/dbraw/zinc/08/37/26/343083726.db2.gz YSZAWPZBOVICJT-UHFFFAOYSA-N 2 1 242.407 2.267 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)[C@@H]1C ZINC000252111302 343125772 /nfs/dbraw/zinc/12/57/72/343125772.db2.gz HUHIKYFQIDCGHS-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@@H+](CCCCCC[NH3+])Cc1ccccn1 ZINC000094918303 343154084 /nfs/dbraw/zinc/15/40/84/343154084.db2.gz HOJVXWVIFNOWJH-UHFFFAOYSA-N 2 1 235.375 2.423 20 0 BEADMP Cc1nc(C)c(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)s1 ZINC000133618575 343185532 /nfs/dbraw/zinc/18/55/32/343185532.db2.gz FJVOSLWQDHAUNU-KWQFWETISA-N 2 1 239.388 2.072 20 0 BEADMP Cc1nc(C)c(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)s1 ZINC000133618575 343185535 /nfs/dbraw/zinc/18/55/35/343185535.db2.gz FJVOSLWQDHAUNU-KWQFWETISA-N 2 1 239.388 2.072 20 0 BEADMP C[C@@H]1C[C@H]1CN1CCC2(CCC[N@H+]2C)CC1 ZINC000625291167 343223186 /nfs/dbraw/zinc/22/31/86/343223186.db2.gz XSLNPLORXUHXER-OLZOCXBDSA-N 2 1 222.376 2.203 20 0 BEADMP Cc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000401755482 343218622 /nfs/dbraw/zinc/21/86/22/343218622.db2.gz QVMNKBBSMGCTOA-UHFFFAOYSA-N 2 1 229.327 2.061 20 0 BEADMP C[C@@H]1C[C@H]1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000625291167 343223188 /nfs/dbraw/zinc/22/31/88/343223188.db2.gz XSLNPLORXUHXER-OLZOCXBDSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1C[C@H]1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000625291167 343223189 /nfs/dbraw/zinc/22/31/89/343223189.db2.gz XSLNPLORXUHXER-OLZOCXBDSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000082489422 136276789 /nfs/dbraw/zinc/27/67/89/136276789.db2.gz ZQSDYNJLFGOBEO-GFCCVEGCSA-N 2 1 210.365 2.108 20 0 BEADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000133881413 343186401 /nfs/dbraw/zinc/18/64/01/343186401.db2.gz FBMBTGOZXWCKOA-RDBSUJKOSA-N 2 1 222.376 2.251 20 0 BEADMP Cc1cc(C[N@@H+](C)CCC[NH3+])c(C)s1 ZINC000133223964 343190300 /nfs/dbraw/zinc/19/03/00/343190300.db2.gz HGTBPAXGBCREGL-UHFFFAOYSA-N 2 1 212.362 2.146 20 0 BEADMP CCN1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000032717152 343240836 /nfs/dbraw/zinc/24/08/36/343240836.db2.gz VGXCXKHPHLXTEG-UHFFFAOYSA-N 2 1 248.374 2.050 20 0 BEADMP CCCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000036907537 343327648 /nfs/dbraw/zinc/32/76/48/343327648.db2.gz YUXAOOKQNMXUKB-YNEHKIRRSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)([NH3+])C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000335600138 136294990 /nfs/dbraw/zinc/29/49/90/136294990.db2.gz ULTCQJYGNVMTNY-CYBMUJFWSA-N 2 1 234.343 2.097 20 0 BEADMP C[C@@H](C[NH2+]Cc1ccncc1)C[NH+]1CCCCC1 ZINC000037997567 343364730 /nfs/dbraw/zinc/36/47/30/343364730.db2.gz UCKYAGFZHFNZHE-AWEZNQCLSA-N 2 1 247.386 2.293 20 0 BEADMP CN1CCC([NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000037248725 343340950 /nfs/dbraw/zinc/34/09/50/343340950.db2.gz XSRGYXLZSTXLLX-UHFFFAOYSA-N 2 1 240.297 2.149 20 0 BEADMP Cc1ccccc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166214937 136309435 /nfs/dbraw/zinc/30/94/35/136309435.db2.gz HXBYFTYRGJLPQR-TZMCWYRMSA-N 2 1 218.344 2.164 20 0 BEADMP C1CC1[NH+]1CCC([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000335662749 136315568 /nfs/dbraw/zinc/31/55/68/136315568.db2.gz RKBUKBFFZOHZQW-PTEHBNRSSA-N 2 1 220.360 2.001 20 0 BEADMP Cc1c[nH+]ccc1N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000335696678 136327527 /nfs/dbraw/zinc/32/75/27/136327527.db2.gz ULWMQIRZQQCQMP-LBPRGKRZSA-N 2 1 242.326 2.117 20 0 BEADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1C[C@H]1C ZINC000349406391 136344574 /nfs/dbraw/zinc/34/45/74/136344574.db2.gz LGHVPEGIVNULGG-KGLIPLIRSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)CC[C@H]1CCOC1 ZINC000349407492 136344598 /nfs/dbraw/zinc/34/45/98/136344598.db2.gz NXJVPVLDCAOALS-AWEZNQCLSA-N 2 1 242.407 2.077 20 0 BEADMP CCSCC[N@@H+](CC)CCC[NH+](C)C ZINC000349422866 136345616 /nfs/dbraw/zinc/34/56/16/136345616.db2.gz VWRZCVRMQFJCKF-UHFFFAOYSA-N 2 1 218.410 2.013 20 0 BEADMP Cc1ccccc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000042436118 343437490 /nfs/dbraw/zinc/43/74/90/343437490.db2.gz JZLWVQZLDQZSQS-UHFFFAOYSA-N 2 1 232.371 2.426 20 0 BEADMP C[N@@H+](CC1CCCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000082493360 343442210 /nfs/dbraw/zinc/44/22/10/343442210.db2.gz NZHUSEDBVPAZKP-ZDUSSCGKSA-N 2 1 210.365 2.108 20 0 BEADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])ccc1F ZINC000258862195 136374025 /nfs/dbraw/zinc/37/40/25/136374025.db2.gz FOSCGRZEPZFWHL-CHWSQXEVSA-N 2 1 222.307 2.104 20 0 BEADMP Cc1cc(C[NH2+][C@H]2CCC[C@H]2[NH3+])ccc1F ZINC000258862199 136374049 /nfs/dbraw/zinc/37/40/49/136374049.db2.gz FOSCGRZEPZFWHL-OLZOCXBDSA-N 2 1 222.307 2.104 20 0 BEADMP CC(C)CC[NH2+]CC[N@H+](C)C1CCCC1 ZINC000053376895 1172028687 /nfs/dbraw/zinc/02/86/87/1172028687.db2.gz HNUGIQCESZYLDG-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP CC(C)CC[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000053376895 1172028696 /nfs/dbraw/zinc/02/86/96/1172028696.db2.gz HNUGIQCESZYLDG-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@H]1CC[N@@H+](CCC2CCC2)C[C@H]1C[NH3+] ZINC000398701228 488222222 /nfs/dbraw/zinc/22/22/22/488222222.db2.gz KBUWTBZEIMGUGB-DGCLKSJQSA-N 2 1 210.365 2.093 20 0 BEADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC2CCC2)C[C@@H]1C[NH3+] ZINC000398899095 488225689 /nfs/dbraw/zinc/22/56/89/488225689.db2.gz HDQKYRDYWUNLJW-BZPMIXESSA-N 2 1 224.392 2.482 20 0 BEADMP Cc1cc(C)c(C[N@@H+](C)CCC[NH3+])c(C)c1 ZINC000053299898 343646479 /nfs/dbraw/zinc/64/64/79/343646479.db2.gz NMRXMDIFNAOZBD-UHFFFAOYSA-N 2 1 220.360 2.392 20 0 BEADMP COc1ccc(CC[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000049707591 187270434 /nfs/dbraw/zinc/27/04/34/187270434.db2.gz XRWCGEOGVYZXEM-TZMCWYRMSA-N 2 1 248.370 2.049 20 0 BEADMP CC/C=C\CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000342251176 343726936 /nfs/dbraw/zinc/72/69/36/343726936.db2.gz RBWKHNLHBQMAJB-SZZPACECSA-N 2 1 210.365 2.226 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@H]1C(C)C ZINC000336682619 537822517 /nfs/dbraw/zinc/82/25/17/537822517.db2.gz RZSDPTKQOUDGKQ-STQMWFEESA-N 2 1 221.348 2.216 20 0 BEADMP Fc1cccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000031994596 343888029 /nfs/dbraw/zinc/88/80/29/343888029.db2.gz UBTWKXLSWGPOTO-AWEZNQCLSA-N 2 1 234.318 2.011 20 0 BEADMP Fc1cccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000031994596 343888030 /nfs/dbraw/zinc/88/80/30/343888030.db2.gz UBTWKXLSWGPOTO-AWEZNQCLSA-N 2 1 234.318 2.011 20 0 BEADMP Cc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000019962351 178603049 /nfs/dbraw/zinc/60/30/49/178603049.db2.gz QQWKHHXNKKLBCW-UHFFFAOYSA-N 2 1 218.344 2.179 20 0 BEADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000621777906 343903406 /nfs/dbraw/zinc/90/34/06/343903406.db2.gz IOPNTWHDPAVJLJ-HOTGVXAUSA-N 2 1 244.382 2.432 20 0 BEADMP Cn1cncc1CC[N@H+]1CCCC(F)(F)CC1 ZINC000625770120 344065671 /nfs/dbraw/zinc/06/56/71/344065671.db2.gz GNYZOWVTGZZYEJ-UHFFFAOYSA-N 2 1 243.301 2.084 20 0 BEADMP Cc1ccoc1CNC[C@H]1CCC[N@H+](C)C1 ZINC000126789759 344103461 /nfs/dbraw/zinc/10/34/61/344103461.db2.gz ADQPUZYJJUHMPD-GFCCVEGCSA-N 2 1 222.332 2.019 20 0 BEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cncs2)C1 ZINC000634732719 344106809 /nfs/dbraw/zinc/10/68/09/344106809.db2.gz MZUYHXPNSMZVTI-SNVBAGLBSA-N 2 1 239.388 2.011 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000093977908 344150535 /nfs/dbraw/zinc/15/05/35/344150535.db2.gz WFDMGXKNUNUYAG-WCFLWFBJSA-N 2 1 208.349 2.001 20 0 BEADMP CCC(CC)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000130275068 344219856 /nfs/dbraw/zinc/21/98/56/344219856.db2.gz VHAFSTALSTZWCQ-NSHDSACASA-N 2 1 200.370 2.386 20 0 BEADMP C/C=C\C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000384872781 344203405 /nfs/dbraw/zinc/20/34/05/344203405.db2.gz GNEZKFQGWJUIDO-LLGAQUFESA-N 2 1 202.301 2.297 20 0 BEADMP Cc1ccc(CC[N@H+](C)C2CC[NH2+]CC2)cc1 ZINC000215638433 349904683 /nfs/dbraw/zinc/90/46/83/349904683.db2.gz GEAWDXAAKCPWKA-UHFFFAOYSA-N 2 1 232.371 2.221 20 0 BEADMP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000215655138 349906572 /nfs/dbraw/zinc/90/65/72/349906572.db2.gz SEGOAWBBRHMOEU-SMDDNHRTSA-N 2 1 236.334 2.271 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC000394583550 259374835 /nfs/dbraw/zinc/37/48/35/259374835.db2.gz UFXQDACGCHHWDK-CYBMUJFWSA-N 2 1 210.365 2.380 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC000394583550 259374836 /nfs/dbraw/zinc/37/48/36/259374836.db2.gz UFXQDACGCHHWDK-CYBMUJFWSA-N 2 1 210.365 2.380 20 0 BEADMP CC[C@@H](C)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000133306139 344317527 /nfs/dbraw/zinc/31/75/27/344317527.db2.gz YEMUEODYKFDVIA-NEPJUHHUSA-N 2 1 200.370 2.338 20 0 BEADMP C[N@@H+](C[C@H]1CCSC1)C[C@H]1CCC[NH+](C)C1 ZINC000495060198 529972386 /nfs/dbraw/zinc/97/23/86/529972386.db2.gz PZLZHIVKCRPXJB-QWHCGFSZSA-N 2 1 242.432 2.013 20 0 BEADMP C[NH+](C[C@H]1CCSC1)C[C@H]1CCC[N@H+](C)C1 ZINC000495060198 529972387 /nfs/dbraw/zinc/97/23/87/529972387.db2.gz PZLZHIVKCRPXJB-QWHCGFSZSA-N 2 1 242.432 2.013 20 0 BEADMP C[NH+](C[C@H]1CCSC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000495060198 529972388 /nfs/dbraw/zinc/97/23/88/529972388.db2.gz PZLZHIVKCRPXJB-QWHCGFSZSA-N 2 1 242.432 2.013 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC000385158298 344355918 /nfs/dbraw/zinc/35/59/18/344355918.db2.gz AOPMBXAGYPSDHQ-OCCSQVGLSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC000385158298 344355920 /nfs/dbraw/zinc/35/59/20/344355920.db2.gz AOPMBXAGYPSDHQ-OCCSQVGLSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000385158297 344355943 /nfs/dbraw/zinc/35/59/43/344355943.db2.gz AOPMBXAGYPSDHQ-JSGCOSHPSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000385158297 344355945 /nfs/dbraw/zinc/35/59/45/344355945.db2.gz AOPMBXAGYPSDHQ-JSGCOSHPSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000385164062 344357045 /nfs/dbraw/zinc/35/70/45/344357045.db2.gz CIDIONYEEUCZBQ-OLZOCXBDSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000385164062 344357047 /nfs/dbraw/zinc/35/70/47/344357047.db2.gz CIDIONYEEUCZBQ-OLZOCXBDSA-N 2 1 218.344 2.225 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC000132721739 344307403 /nfs/dbraw/zinc/30/74/03/344307403.db2.gz DKIJWELMUNGWSK-RYUDHWBXSA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000042559899 344458383 /nfs/dbraw/zinc/45/83/83/344458383.db2.gz RHKHNROQKDUASW-LBPRGKRZSA-N 2 1 210.365 2.106 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000336775439 537846395 /nfs/dbraw/zinc/84/63/95/537846395.db2.gz ZARUZAPKYKPJOW-KBPBESRZSA-N 2 1 220.360 2.027 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000336775440 537847484 /nfs/dbraw/zinc/84/74/84/537847484.db2.gz ZARUZAPKYKPJOW-KGLIPLIRSA-N 2 1 220.360 2.027 20 0 BEADMP Fc1cnccc1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000641538868 362488442 /nfs/dbraw/zinc/48/84/42/362488442.db2.gz UPGWAURAAXSRPK-GFCCVEGCSA-N 2 1 249.333 2.071 20 0 BEADMP Fc1cnccc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000641538869 362489268 /nfs/dbraw/zinc/48/92/68/362489268.db2.gz UPGWAURAAXSRPK-LBPRGKRZSA-N 2 1 249.333 2.071 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC3(CCC3)C2)C1 ZINC000309970028 259378812 /nfs/dbraw/zinc/37/88/12/259378812.db2.gz PADGODGESXRASY-GFCCVEGCSA-N 2 1 222.376 2.251 20 0 BEADMP CSC[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000399997685 344748901 /nfs/dbraw/zinc/74/89/01/344748901.db2.gz LJDNHOMCPUFNNE-QWHCGFSZSA-N 2 1 242.432 2.204 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(C)nc1 ZINC000337952892 537862385 /nfs/dbraw/zinc/86/23/85/537862385.db2.gz XKDUMLOIWQJVDT-UHFFFAOYSA-N 2 1 244.342 2.075 20 0 BEADMP COCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153792839 344975417 /nfs/dbraw/zinc/97/54/17/344975417.db2.gz FEYZMMBUFRSHCH-OLZOCXBDSA-N 2 1 240.391 2.018 20 0 BEADMP COCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000153792839 344975419 /nfs/dbraw/zinc/97/54/19/344975419.db2.gz FEYZMMBUFRSHCH-OLZOCXBDSA-N 2 1 240.391 2.018 20 0 BEADMP FC(F)(F)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156094127 345121958 /nfs/dbraw/zinc/12/19/58/345121958.db2.gz RZFHHEKWLBLFOH-NXEZZACHSA-N 2 1 236.281 2.155 20 0 BEADMP CC(C)[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000319044188 259382717 /nfs/dbraw/zinc/38/27/17/259382717.db2.gz USANLOIWUVGKLJ-NEPJUHHUSA-N 2 1 212.381 2.399 20 0 BEADMP C[C@H]1CC[C@@]2(CC[N@@H+](CC34CC(C3)C[NH2+]4)C2)C1 ZINC000634993342 345189683 /nfs/dbraw/zinc/18/96/83/345189683.db2.gz RGXBIWJSOMYDSP-FGZQJIAISA-N 2 1 234.387 2.251 20 0 BEADMP C[C@@H]1CC[C@]2(CC[N@@H+](CC34CC(C3)C[NH2+]4)C2)C1 ZINC000634993343 345189686 /nfs/dbraw/zinc/18/96/86/345189686.db2.gz RGXBIWJSOMYDSP-JLVJUDLZSA-N 2 1 234.387 2.251 20 0 BEADMP C(C1CC1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000156528117 345176958 /nfs/dbraw/zinc/17/69/58/345176958.db2.gz FPSVKDIZUXOLBH-CQSZACIVSA-N 2 1 222.376 2.204 20 0 BEADMP c1ccc2c(c1)CCC[N@@H+](CC13CC(C1)C[NH2+]3)C2 ZINC000634992191 345179562 /nfs/dbraw/zinc/17/95/62/345179562.db2.gz HQQSKMXATDHNLI-UHFFFAOYSA-N 2 1 242.366 2.187 20 0 BEADMP c1ccc2c(c1)CCC[N@H+](CC13CC(C1)C[NH2+]3)C2 ZINC000634992191 345179565 /nfs/dbraw/zinc/17/95/65/345179565.db2.gz HQQSKMXATDHNLI-UHFFFAOYSA-N 2 1 242.366 2.187 20 0 BEADMP Cc1ccc(F)c(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000634998070 345197130 /nfs/dbraw/zinc/19/71/30/345197130.db2.gz AHFLQVFFPQKLAF-DGCLKSJQSA-N 2 1 236.334 2.161 20 0 BEADMP Cc1ccc(C[NH2+]CCC[NH+]2CCC2)s1 ZINC000579852675 345197386 /nfs/dbraw/zinc/19/73/86/345197386.db2.gz TZCMJUVRGLCYEJ-UHFFFAOYSA-N 2 1 224.373 2.242 20 0 BEADMP Cc1ccc(F)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000634998071 345197699 /nfs/dbraw/zinc/19/76/99/345197699.db2.gz AHFLQVFFPQKLAF-WCQYABFASA-N 2 1 236.334 2.161 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000634998707 345198508 /nfs/dbraw/zinc/19/85/08/345198508.db2.gz JNKPVLKOTDWMFG-GXSJLCMTSA-N 2 1 224.373 2.083 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)Cc1ccoc1 ZINC000449093094 201805415 /nfs/dbraw/zinc/80/54/15/201805415.db2.gz VFTRYJWKJCGKIO-LBPRGKRZSA-N 2 1 247.342 2.395 20 0 BEADMP Cc1c[nH+]ccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158368084 345327065 /nfs/dbraw/zinc/32/70/65/345327065.db2.gz QREUCTWCOMPDIR-QWHCGFSZSA-N 2 1 231.343 2.429 20 0 BEADMP CCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000134685430 345418879 /nfs/dbraw/zinc/41/88/79/345418879.db2.gz YACHYSCCEDKROH-LBPRGKRZSA-N 2 1 210.365 2.345 20 0 BEADMP CCC[NH+]1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000134685430 345418880 /nfs/dbraw/zinc/41/88/80/345418880.db2.gz YACHYSCCEDKROH-LBPRGKRZSA-N 2 1 210.365 2.345 20 0 BEADMP Cc1csc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000335590663 187304334 /nfs/dbraw/zinc/30/43/34/187304334.db2.gz HKNBTPJABZZVMN-DGCLKSJQSA-N 2 1 238.400 2.486 20 0 BEADMP Cc1csc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000335590663 187304336 /nfs/dbraw/zinc/30/43/36/187304336.db2.gz HKNBTPJABZZVMN-DGCLKSJQSA-N 2 1 238.400 2.486 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC1(C)C ZINC000336656476 187305159 /nfs/dbraw/zinc/30/51/59/187305159.db2.gz AOHOUXLORBUTFO-GFCCVEGCSA-N 2 1 221.348 2.131 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000089736013 345558624 /nfs/dbraw/zinc/55/86/24/345558624.db2.gz NKOPDLWPCXJRTE-GOEBONIOSA-N 2 1 246.398 2.467 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(F)c1 ZINC000225990038 345751215 /nfs/dbraw/zinc/75/12/15/345751215.db2.gz HDUCVYBMRHFVLC-SKDRFNHKSA-N 2 1 210.296 2.214 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CC1(C)C ZINC000381492588 346077382 /nfs/dbraw/zinc/07/73/82/346077382.db2.gz YTEWIFGUFMQDDG-AVGNSLFASA-N 2 1 224.392 2.352 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CCC(C)(C)C1 ZINC000191801160 346064763 /nfs/dbraw/zinc/06/47/63/346064763.db2.gz GGTPEHRDJBZEEA-UHFFFAOYSA-N 2 1 212.381 2.450 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000684367018 488301560 /nfs/dbraw/zinc/30/15/60/488301560.db2.gz JWZLPGBCEDXBGR-HZSPNIEDSA-N 2 1 242.407 2.264 20 0 BEADMP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cn1 ZINC000153850612 537952694 /nfs/dbraw/zinc/95/26/94/537952694.db2.gz KZWLUOTUKYAMDW-UHFFFAOYSA-N 2 1 247.386 2.164 20 0 BEADMP Cc1ccccc1[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320069 537956568 /nfs/dbraw/zinc/95/65/68/537956568.db2.gz NZDSDZBHTWOTNB-MELADBBJSA-N 2 1 230.355 2.207 20 0 BEADMP Cc1ncc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000628272863 346283694 /nfs/dbraw/zinc/28/36/94/346283694.db2.gz AMXRGBNKUPRWGP-FUNVUKJBSA-N 2 1 249.358 2.040 20 0 BEADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000669378416 537967118 /nfs/dbraw/zinc/96/71/18/537967118.db2.gz DOEIRAGADRROJI-CHWSQXEVSA-N 2 1 210.365 2.251 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228203952 179034844 /nfs/dbraw/zinc/03/48/44/179034844.db2.gz IPURWBODKIZTEQ-KBPBESRZSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000122155037 179036052 /nfs/dbraw/zinc/03/60/52/179036052.db2.gz OLQGZXCWBMSHGT-ZDUSSCGKSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000122155037 179036054 /nfs/dbraw/zinc/03/60/54/179036054.db2.gz OLQGZXCWBMSHGT-ZDUSSCGKSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1cccc(CCC[NH2+]C2CC[NH+](C)CC2)n1 ZINC000285360584 179055196 /nfs/dbraw/zinc/05/51/96/179055196.db2.gz AITKMKYVVAQJPS-UHFFFAOYSA-N 2 1 247.386 2.006 20 0 BEADMP Cc1cccc(C[N@H+](C)CC(C)(C)C[NH3+])c1 ZINC000051286232 179063359 /nfs/dbraw/zinc/06/33/59/179063359.db2.gz ZGJCEFKOOPUHER-UHFFFAOYSA-N 2 1 220.360 2.412 20 0 BEADMP Cc1cccc(C[N@@H+](C)CCCC[NH3+])c1 ZINC000042435681 179066967 /nfs/dbraw/zinc/06/69/67/179066967.db2.gz MDUIFGXMSQPEPT-UHFFFAOYSA-N 2 1 206.333 2.166 20 0 BEADMP C[C@H](C1CC1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000574924460 346414301 /nfs/dbraw/zinc/41/43/01/346414301.db2.gz OEPKBTNKQKBFOX-LLVKDONJSA-N 2 1 221.348 2.083 20 0 BEADMP C[C@H](C1CC1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000574924460 346414304 /nfs/dbraw/zinc/41/43/04/346414304.db2.gz OEPKBTNKQKBFOX-LLVKDONJSA-N 2 1 221.348 2.083 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000049713003 179081768 /nfs/dbraw/zinc/08/17/68/179081768.db2.gz OGAWICBJXCBKIG-JSGCOSHPSA-N 2 1 218.344 2.307 20 0 BEADMP Cc1cccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1F ZINC000296774172 179085242 /nfs/dbraw/zinc/08/52/42/179085242.db2.gz LNFZFTDJXXLMET-OKILXGFUSA-N 2 1 248.345 2.128 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000390472145 259390195 /nfs/dbraw/zinc/39/01/95/259390195.db2.gz JOCCUCGXBOIXOO-YIYPIFLZSA-N 2 1 224.392 2.495 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000390472145 259390197 /nfs/dbraw/zinc/39/01/97/259390197.db2.gz JOCCUCGXBOIXOO-YIYPIFLZSA-N 2 1 224.392 2.495 20 0 BEADMP Cc1cccc(C[NH2+]C[C@H](C)C[NH+](C)C)c1F ZINC000295818744 179094146 /nfs/dbraw/zinc/09/41/46/179094146.db2.gz XQBFPSYGTROIIP-NSHDSACASA-N 2 1 238.350 2.421 20 0 BEADMP CC(C)C[NH+]1CCC([NH2+]Cc2cccn2C)CC1 ZINC000161609123 346494104 /nfs/dbraw/zinc/49/41/04/346494104.db2.gz HIXMPUSLMQURHJ-UHFFFAOYSA-N 2 1 249.402 2.235 20 0 BEADMP C[C@@H]1CC[C@H](CN)[N@@H+](C[C@@H]2CCCCO2)[C@@H]1C ZINC000641806336 362765050 /nfs/dbraw/zinc/76/50/50/362765050.db2.gz QOZWLPCQGAMIGS-SYQHCUMBSA-N 2 1 240.391 2.003 20 0 BEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H]2CCCCO2)[C@@H]1C ZINC000641806336 362765059 /nfs/dbraw/zinc/76/50/59/362765059.db2.gz QOZWLPCQGAMIGS-SYQHCUMBSA-N 2 1 240.391 2.003 20 0 BEADMP CC1(C)[C@H]([NH2+]Cc2cccc(F)c2F)C[C@@H]1[NH3+] ZINC000641809366 362767658 /nfs/dbraw/zinc/76/76/58/362767658.db2.gz WQSMRCGGTSETNN-WDEREUQCSA-N 2 1 240.297 2.180 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000104949691 346548796 /nfs/dbraw/zinc/54/87/96/346548796.db2.gz PANSLSQRYWQEGU-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@H](c1ccccc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252699706 346780615 /nfs/dbraw/zinc/78/06/15/346780615.db2.gz VTIFYBOKHPLFSV-JHJVBQTASA-N 2 1 218.344 2.417 20 0 BEADMP C[C@@H]1CCC[N@@H+](CCCc2cncn2C)CC1 ZINC000580657635 365852878 /nfs/dbraw/zinc/85/28/78/365852878.db2.gz SYYMLJOOXIUCDL-CYBMUJFWSA-N 2 1 235.375 2.475 20 0 BEADMP Cc1cccc(OCC[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000131785050 179168324 /nfs/dbraw/zinc/16/83/24/179168324.db2.gz WWLCIKSNBIPCTD-UONOGXRCSA-N 2 1 248.370 2.043 20 0 BEADMP Cc1cccc(OCC[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000228081194 179168366 /nfs/dbraw/zinc/16/83/66/179168366.db2.gz WWLCIKSNBIPCTD-ZIAGYGMSSA-N 2 1 248.370 2.043 20 0 BEADMP CCC[C@H](C)C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622004477 370655312 /nfs/dbraw/zinc/65/53/12/370655312.db2.gz PGYLMEFOGKNULV-YNEHKIRRSA-N 2 1 210.365 2.236 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)s1 ZINC000622005666 370657105 /nfs/dbraw/zinc/65/71/05/370657105.db2.gz JIPWFJWHIGUQTG-AAEUAGOBSA-N 2 1 236.384 2.370 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)s1 ZINC000622005666 370657110 /nfs/dbraw/zinc/65/71/10/370657110.db2.gz JIPWFJWHIGUQTG-AAEUAGOBSA-N 2 1 236.384 2.370 20 0 BEADMP CCCCOCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310254774 347251897 /nfs/dbraw/zinc/25/18/97/347251897.db2.gz LBSYIKAEVFDITJ-UHFFFAOYSA-N 2 1 240.391 2.020 20 0 BEADMP C1=CC[NH+](CCCC[N@@H+]2CC=CCC2)CC1 ZINC000679323749 488336900 /nfs/dbraw/zinc/33/69/00/488336900.db2.gz JNUBJIJZSBESEK-UHFFFAOYSA-N 2 1 220.360 2.290 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CC(C)(C)C1 ZINC000382440721 347334371 /nfs/dbraw/zinc/33/43/71/347334371.db2.gz TYYBCXBXNXTOOW-PWSUYJOCSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CC(C)(C)C1 ZINC000382440721 347334375 /nfs/dbraw/zinc/33/43/75/347334375.db2.gz TYYBCXBXNXTOOW-PWSUYJOCSA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)CC[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000020122871 347406497 /nfs/dbraw/zinc/40/64/97/347406497.db2.gz KGDPATXSYDDSFF-LBPRGKRZSA-N 2 1 212.381 2.495 20 0 BEADMP Cc1ccccc1CCC[N@@H+]1CCC[NH2+]CC1 ZINC000041259757 179261557 /nfs/dbraw/zinc/26/15/57/179261557.db2.gz HIFQARCWQQBVPU-UHFFFAOYSA-N 2 1 232.371 2.223 20 0 BEADMP Cc1ccccc1CCC[N@H+]1CCC[NH2+]CC1 ZINC000041259757 179261559 /nfs/dbraw/zinc/26/15/59/179261559.db2.gz HIFQARCWQQBVPU-UHFFFAOYSA-N 2 1 232.371 2.223 20 0 BEADMP CCc1nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(C)[nH+]1 ZINC000302563125 347586382 /nfs/dbraw/zinc/58/63/82/347586382.db2.gz YWBVLAOBSBVXDT-VXGBXAGGSA-N 2 1 248.374 2.242 20 0 BEADMP CCc1nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(C)[nH+]1 ZINC000302563125 347586385 /nfs/dbraw/zinc/58/63/85/347586385.db2.gz YWBVLAOBSBVXDT-VXGBXAGGSA-N 2 1 248.374 2.242 20 0 BEADMP Cc1nc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cs1 ZINC000082474641 347614648 /nfs/dbraw/zinc/61/46/48/347614648.db2.gz LVGQCVDUFUPVKS-VIFPVBQESA-N 2 1 239.388 2.011 20 0 BEADMP Cc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122313924 179275709 /nfs/dbraw/zinc/27/57/09/179275709.db2.gz UHUWXBOGCHTLEN-QWHCGFSZSA-N 2 1 218.344 2.164 20 0 BEADMP Cc1ccccc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000049712985 179276904 /nfs/dbraw/zinc/27/69/04/179276904.db2.gz PRFUTTUEDNVVQT-JSGCOSHPSA-N 2 1 218.344 2.307 20 0 BEADMP Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000105480760 179282146 /nfs/dbraw/zinc/28/21/46/179282146.db2.gz KZMIYWIKDADWTO-DZGCQCFKSA-N 2 1 232.371 2.425 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)C2CC2)C1 ZINC000151137315 192371255 /nfs/dbraw/zinc/37/12/55/192371255.db2.gz ZWAFCOFRNMHMNP-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@@H]2CC[NH2+]C2)C1 ZINC000592476756 347791492 /nfs/dbraw/zinc/79/14/92/347791492.db2.gz YQOSOLKYZUKUQU-FRRDWIJNSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1c2c(F)cccc2CC[N@H+]1CCC[NH3+] ZINC000577351925 365930542 /nfs/dbraw/zinc/93/05/42/365930542.db2.gz NAAWFWWEEYDYTR-SNVBAGLBSA-N 2 1 222.307 2.094 20 0 BEADMP C[C@@H]1c2c(F)cccc2CC[N@@H+]1CCC[NH3+] ZINC000577351925 365930547 /nfs/dbraw/zinc/93/05/47/365930547.db2.gz NAAWFWWEEYDYTR-SNVBAGLBSA-N 2 1 222.307 2.094 20 0 BEADMP Cc1ccccc1OCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000011888568 179310930 /nfs/dbraw/zinc/31/09/30/179310930.db2.gz XAQGQQQDEWKYHO-AWEZNQCLSA-N 2 1 248.370 2.045 20 0 BEADMP CS[C@@H]1CC[C@@H]1[NH2+]CCC[N@@H+](C)CC(C)C ZINC000593647110 347926037 /nfs/dbraw/zinc/92/60/37/347926037.db2.gz WJJXMMPBUDBPJV-QWHCGFSZSA-N 2 1 244.448 2.448 20 0 BEADMP Cc1cccnc1CCC[NH2+]C1CC[NH+](C)CC1 ZINC000295135544 179369285 /nfs/dbraw/zinc/36/92/85/179369285.db2.gz ZADVFWUBAMDYFE-UHFFFAOYSA-N 2 1 247.386 2.006 20 0 BEADMP CCc1ccccc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000395023604 323185215 /nfs/dbraw/zinc/18/52/15/323185215.db2.gz NZEAXPZYEANEMW-UHFFFAOYSA-N 2 1 218.344 2.171 20 0 BEADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000401879270 348435581 /nfs/dbraw/zinc/43/55/81/348435581.db2.gz PMJCMUYUSCIUMB-WCQYABFASA-N 2 1 235.375 2.377 20 0 BEADMP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000401891421 348607219 /nfs/dbraw/zinc/60/72/19/348607219.db2.gz XOWLQZICZCUFHO-BZPMIXESSA-N 2 1 235.375 2.377 20 0 BEADMP CCC(CC)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130223103 535081244 /nfs/dbraw/zinc/08/12/44/535081244.db2.gz AMBGMZFHRRFJPT-CHWSQXEVSA-N 2 1 210.365 2.391 20 0 BEADMP CC(C)=CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623505663 362930261 /nfs/dbraw/zinc/93/02/61/362930261.db2.gz LGFMWZUWWSDHOV-LBPRGKRZSA-N 2 1 210.365 2.415 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCSC2)CC1(C)C ZINC000623509997 362935281 /nfs/dbraw/zinc/93/52/81/362935281.db2.gz BJPLQZVDMYWHDQ-NEPJUHHUSA-N 2 1 242.432 2.202 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](C)C2)C1 ZINC000251681045 349173185 /nfs/dbraw/zinc/17/31/85/349173185.db2.gz ALEZIGMLRIHGLW-MCIONIFRSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623521706 362943463 /nfs/dbraw/zinc/94/34/63/362943463.db2.gz CJTQDWCIBSNVHW-WOPDTQHZSA-N 2 1 242.432 2.200 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000252782509 349204282 /nfs/dbraw/zinc/20/42/82/349204282.db2.gz NJYPBLKGXSXSQP-QWRGUYRKSA-N 2 1 238.400 2.480 20 0 BEADMP COCC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623530669 362948494 /nfs/dbraw/zinc/94/84/94/362948494.db2.gz HTXHPNWFWOZPDE-LBPRGKRZSA-N 2 1 242.407 2.121 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)C(C)(C)C)CC1 ZINC000133298837 191039555 /nfs/dbraw/zinc/03/95/55/191039555.db2.gz MYSZQHLQAIBNLW-NSHDSACASA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)C1([NH2+]CCCc2c[nH+]cn2C)CC1 ZINC000314071711 350165431 /nfs/dbraw/zinc/16/54/31/350165431.db2.gz ZRQKZRBWFOWFEZ-UHFFFAOYSA-N 2 1 221.348 2.131 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000309933927 191068519 /nfs/dbraw/zinc/06/85/19/191068519.db2.gz XLRJSRLKEFIXKN-MJBXVCDLSA-N 2 1 224.392 2.482 20 0 BEADMP C([NH2+]C1CCCCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037408430 191069631 /nfs/dbraw/zinc/06/96/31/191069631.db2.gz GFESZKCNCXKDAE-LBPRGKRZSA-N 2 1 222.376 2.393 20 0 BEADMP Cc1ncccc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000310416392 180219076 /nfs/dbraw/zinc/21/90/76/180219076.db2.gz JYJOTNYCFDJZFW-CQSZACIVSA-N 2 1 235.375 2.195 20 0 BEADMP Cc1ncccc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000310416392 180219077 /nfs/dbraw/zinc/21/90/77/180219077.db2.gz JYJOTNYCFDJZFW-CQSZACIVSA-N 2 1 235.375 2.195 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CCSC[C@H]1C ZINC000270636663 180239974 /nfs/dbraw/zinc/23/99/74/180239974.db2.gz MHHGNGNTIBOYEL-LLVKDONJSA-N 2 1 239.388 2.019 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCSC[C@H]1C ZINC000270636663 180239977 /nfs/dbraw/zinc/23/99/77/180239977.db2.gz MHHGNGNTIBOYEL-LLVKDONJSA-N 2 1 239.388 2.019 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CC1CC1 ZINC000309791333 180247490 /nfs/dbraw/zinc/24/74/90/180247490.db2.gz ULPMQBUPMJKJGF-LLVKDONJSA-N 2 1 221.348 2.360 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)C(C)C ZINC000309019493 180248036 /nfs/dbraw/zinc/24/80/36/180248036.db2.gz WEFCQDQYBSIPJM-LLVKDONJSA-N 2 1 209.337 2.216 20 0 BEADMP Cc1[nH+]ccn1CCC[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000336698527 180240519 /nfs/dbraw/zinc/24/05/19/180240519.db2.gz JFQZOXXYJCYKGX-RYUDHWBXSA-N 2 1 221.348 2.169 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000372858248 180241280 /nfs/dbraw/zinc/24/12/80/180241280.db2.gz ODZWPFJKNDRVOP-CQSZACIVSA-N 2 1 233.359 2.314 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C2CC2)C1 ZINC000372858248 180241283 /nfs/dbraw/zinc/24/12/83/180241283.db2.gz ODZWPFJKNDRVOP-CQSZACIVSA-N 2 1 233.359 2.314 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1[C@H](C)CC[C@@H]1C ZINC000336707321 180243620 /nfs/dbraw/zinc/24/36/20/180243620.db2.gz SIWUVNOGEJYTTA-TXEJJXNPSA-N 2 1 221.348 2.454 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000336707321 180243623 /nfs/dbraw/zinc/24/36/23/180243623.db2.gz SIWUVNOGEJYTTA-TXEJJXNPSA-N 2 1 221.348 2.454 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H]1CCC=CO1 ZINC000194194125 180265365 /nfs/dbraw/zinc/26/53/65/180265365.db2.gz WAXIOVXVKVHZAQ-OCCSQVGLSA-N 2 1 249.358 2.110 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccccn1 ZINC000105443300 180266351 /nfs/dbraw/zinc/26/63/51/180266351.db2.gz HMXVIMUNKXYTEI-GFCCVEGCSA-N 2 1 244.342 2.012 20 0 BEADMP C[C@H](CCc1ccccc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000108265944 350347009 /nfs/dbraw/zinc/34/70/09/350347009.db2.gz DGNQKOXZPNHBLQ-BMFZPTHFSA-N 2 1 244.382 2.159 20 0 BEADMP C[C@@H](CCc1ccccc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000108265939 350347012 /nfs/dbraw/zinc/34/70/12/350347012.db2.gz DGNQKOXZPNHBLQ-CWRNSKLLSA-N 2 1 244.382 2.159 20 0 BEADMP CC[NH+]1CCC([N@H+](C)CCOCC(C)C)CC1 ZINC000336692988 350449512 /nfs/dbraw/zinc/44/95/12/350449512.db2.gz KDPJVNSQJCBHRC-UHFFFAOYSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)CCOCC(C)C)CC1 ZINC000336692988 350449515 /nfs/dbraw/zinc/44/95/15/350449515.db2.gz KDPJVNSQJCBHRC-UHFFFAOYSA-N 2 1 242.407 2.075 20 0 BEADMP Fc1cccc(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000163439821 350522369 /nfs/dbraw/zinc/52/23/69/350522369.db2.gz SDARGQUXQFNPTD-UHFFFAOYSA-N 2 1 222.307 2.057 20 0 BEADMP CC1(C)CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000063067290 350570430 /nfs/dbraw/zinc/57/04/30/350570430.db2.gz IHPJXHGWUUTBDR-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)COC(C)C)C1 ZINC000337308024 350572001 /nfs/dbraw/zinc/57/20/01/350572001.db2.gz SSIFMHYNRPMPMM-KGLIPLIRSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CS1 ZINC000623549724 362969822 /nfs/dbraw/zinc/96/98/22/362969822.db2.gz MOSQMNFOWKTOSV-WOPDTQHZSA-N 2 1 242.432 2.343 20 0 BEADMP COCC[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623548949 362969941 /nfs/dbraw/zinc/96/99/41/362969941.db2.gz KAYCSAXXVSPELE-CHWSQXEVSA-N 2 1 242.407 2.121 20 0 BEADMP COCC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623548952 362969667 /nfs/dbraw/zinc/96/96/67/362969667.db2.gz KAYCSAXXVSPELE-STQMWFEESA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccccc1C ZINC000231443735 350624587 /nfs/dbraw/zinc/62/45/87/350624587.db2.gz ARGMJVRECRQJAU-NEPJUHHUSA-N 2 1 206.333 2.383 20 0 BEADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000252703303 538099305 /nfs/dbraw/zinc/09/93/05/538099305.db2.gz SDFPXNQBIRETAY-XBFCOCLRSA-N 2 1 222.376 2.249 20 0 BEADMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)C1CC(C)(C)C1 ZINC000334620980 350726501 /nfs/dbraw/zinc/72/65/01/350726501.db2.gz HLFXYDNJFSFCJO-CYBMUJFWSA-N 2 1 210.365 2.106 20 0 BEADMP CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000252731752 535157163 /nfs/dbraw/zinc/15/71/63/535157163.db2.gz RJYGCKZYEQMESY-OLZOCXBDSA-N 2 1 222.376 2.393 20 0 BEADMP CO[C@@H](C)[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000252710341 538099880 /nfs/dbraw/zinc/09/98/80/538099880.db2.gz GIZQIIJFNMEMBH-YJBUHQLJSA-N 2 1 240.391 2.015 20 0 BEADMP CO[C@@H](C)[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000252710341 538099882 /nfs/dbraw/zinc/09/98/82/538099882.db2.gz GIZQIIJFNMEMBH-YJBUHQLJSA-N 2 1 240.391 2.015 20 0 BEADMP Cc1ccc(C[NH2+]Cc2cnc3n2CCC3)o1 ZINC000631243249 351320228 /nfs/dbraw/zinc/32/02/28/351320228.db2.gz XNUQTWPBSMIHLG-UHFFFAOYSA-N 2 1 231.299 2.021 20 0 BEADMP Cc1ccc(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cn1 ZINC000577620795 366021346 /nfs/dbraw/zinc/02/13/46/366021346.db2.gz SILDODISVKSDPW-UKRRQHHQSA-N 2 1 247.386 2.053 20 0 BEADMP COc1cccc(C[NH2+][C@@H](C[NH3+])CC(C)C)c1 ZINC000414854591 351905060 /nfs/dbraw/zinc/90/50/60/351905060.db2.gz VGBQEXHMISXNAW-CYBMUJFWSA-N 2 1 236.359 2.158 20 0 BEADMP CC[C@H]1C[N@H+](Cc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000251918529 487535718 /nfs/dbraw/zinc/53/57/18/487535718.db2.gz YIAUZRJWTRBGOQ-GXTWGEPZSA-N 2 1 236.334 2.385 20 0 BEADMP CC[C@H]1C[N@@H+](Cc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000251918529 487535724 /nfs/dbraw/zinc/53/57/24/487535724.db2.gz YIAUZRJWTRBGOQ-GXTWGEPZSA-N 2 1 236.334 2.385 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000638338244 352158120 /nfs/dbraw/zinc/15/81/20/352158120.db2.gz UOEFKCAMYATAKF-QWRGUYRKSA-N 2 1 234.334 2.350 20 0 BEADMP CO[C@@](C)(C[NH2+]CCC[N@@H+](C)C(C)C)C1CC1 ZINC000638338520 352158783 /nfs/dbraw/zinc/15/87/83/352158783.db2.gz YALFBCWLRXMCAD-AWEZNQCLSA-N 2 1 242.407 2.121 20 0 BEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638376293 352186365 /nfs/dbraw/zinc/18/63/65/352186365.db2.gz JHSRVYWAXIVDSA-AIEDFZFUSA-N 2 1 234.387 2.249 20 0 BEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638376296 352186537 /nfs/dbraw/zinc/18/65/37/352186537.db2.gz JHSRVYWAXIVDSA-XLWJZTARSA-N 2 1 234.387 2.249 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]CCc2ccc(C)cc2)C1 ZINC000638380691 352191196 /nfs/dbraw/zinc/19/11/96/352191196.db2.gz FDRIFCPBZLKPQA-MRXNPFEDSA-N 2 1 246.398 2.469 20 0 BEADMP C1CC1C([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000037140993 358468622 /nfs/dbraw/zinc/46/86/22/358468622.db2.gz KRXYLGGUJZHKEM-UHFFFAOYSA-N 2 1 234.387 2.391 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CC2(F)F)C1 ZINC000638408352 352213995 /nfs/dbraw/zinc/21/39/95/352213995.db2.gz AHEYAVYEWULFAT-TUAOUCFPSA-N 2 1 246.345 2.352 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638410236 352217618 /nfs/dbraw/zinc/21/76/18/352217618.db2.gz XRKAQNJBASTXQF-APIJFGDWSA-N 2 1 236.403 2.354 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CS[C@@H](C)C2)C1 ZINC000638409121 352218921 /nfs/dbraw/zinc/21/89/21/352218921.db2.gz JIAWTVFEPBANFB-XQQFMLRXSA-N 2 1 242.432 2.202 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@](C)(CC)OC)C1 ZINC000638452317 352263361 /nfs/dbraw/zinc/26/33/61/352263361.db2.gz XCLAYRJMVFJIIB-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@H]1C[N@@H+](Cc2cccc3c2CCC3)C[C@@H]1C[NH3+] ZINC000630074883 363158581 /nfs/dbraw/zinc/15/85/81/363158581.db2.gz BWSIEDPMSRPRGH-WFASDCNBSA-N 2 1 244.382 2.202 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CCC3)C[C@H]1C[NH3+] ZINC000630074879 363159009 /nfs/dbraw/zinc/15/90/09/363159009.db2.gz BWSIEDPMSRPRGH-IUODEOHRSA-N 2 1 244.382 2.202 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638503149 352323611 /nfs/dbraw/zinc/32/36/11/352323611.db2.gz FVPPTACNACMNLI-YIYPIFLZSA-N 2 1 224.392 2.352 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638503149 352323614 /nfs/dbraw/zinc/32/36/14/352323614.db2.gz FVPPTACNACMNLI-YIYPIFLZSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@H](C[NH3+])[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000414928357 352327704 /nfs/dbraw/zinc/32/77/04/352327704.db2.gz MLHLDJOPUKJGAD-SECBINFHSA-N 2 1 249.745 2.325 20 0 BEADMP CC(C)[C@@H]1CC[C@@H]([NH2+][C@@H](C)C[NH3+])C[C@@H]1C ZINC000414947034 352370452 /nfs/dbraw/zinc/37/04/52/352370452.db2.gz UFYACWJNKTUNLX-RVMXOQNASA-N 2 1 212.381 2.384 20 0 BEADMP CC(C)[C@@H]1CC[C@H]([NH2+][C@@H](C)C[NH3+])C[C@H]1C ZINC000414947035 352370530 /nfs/dbraw/zinc/37/05/30/352370530.db2.gz UFYACWJNKTUNLX-VOAKCMCISA-N 2 1 212.381 2.384 20 0 BEADMP CCOC1CC(C[NH2+][C@@H](C)C[NH+](CC)CC)C1 ZINC000638559869 352385648 /nfs/dbraw/zinc/38/56/48/352385648.db2.gz IVGKUIXVZMSADK-HSBZDZAISA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@H]2C[C@@H]2C)C1 ZINC000252952210 538103868 /nfs/dbraw/zinc/10/38/68/538103868.db2.gz FNPKKXROKDRZFD-YNEHKIRRSA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]2C)C1 ZINC000252952210 538103870 /nfs/dbraw/zinc/10/38/70/538103870.db2.gz FNPKKXROKDRZFD-YNEHKIRRSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000252958515 538103619 /nfs/dbraw/zinc/10/36/19/538103619.db2.gz SWIAYLRCUHHJGQ-RNJOBUHISA-N 2 1 210.365 2.105 20 0 BEADMP Cc1ccc(C)c(C[NH2+][C@H](C)[C@H](C)[NH3+])c1 ZINC000415011573 352546858 /nfs/dbraw/zinc/54/68/58/352546858.db2.gz QSYFVPQXSFYGIO-NWDGAFQWSA-N 2 1 206.333 2.129 20 0 BEADMP CC(C)[N@@H+](CC1CC1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000300055815 352553849 /nfs/dbraw/zinc/55/38/49/352553849.db2.gz KLMGDXXPIXYCHO-OCCSQVGLSA-N 2 1 224.392 2.495 20 0 BEADMP COC1([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)CCC1 ZINC000412026407 191239736 /nfs/dbraw/zinc/23/97/36/191239736.db2.gz SFFFXFRNNJKUTF-STQMWFEESA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000334194652 352786955 /nfs/dbraw/zinc/78/69/55/352786955.db2.gz JBEKRPYCODLCOK-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP CC(C)C[C@H](C)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000300969361 188001992 /nfs/dbraw/zinc/00/19/92/188001992.db2.gz RYNXHEKIAZEQEF-LBPRGKRZSA-N 2 1 212.381 2.352 20 0 BEADMP CCCCOCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000337280528 188014718 /nfs/dbraw/zinc/01/47/18/188014718.db2.gz VKMWJBLMFWECLU-UHFFFAOYSA-N 2 1 242.407 2.221 20 0 BEADMP CCCCOCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337280528 188014720 /nfs/dbraw/zinc/01/47/20/188014720.db2.gz VKMWJBLMFWECLU-UHFFFAOYSA-N 2 1 242.407 2.221 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+]CC(C)(C)C ZINC000045693536 353151144 /nfs/dbraw/zinc/15/11/44/353151144.db2.gz CUKAAQSMGRKYFB-LLVKDONJSA-N 2 1 200.370 2.352 20 0 BEADMP C[C@@H](CC[NH+](C)C)Nc1[nH]c2ccccc2[nH+]1 ZINC000049558501 353168458 /nfs/dbraw/zinc/16/84/58/353168458.db2.gz PYYHSARDVLBXPO-JTQLQIEISA-N 2 1 232.331 2.315 20 0 BEADMP CSCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000225980167 363211428 /nfs/dbraw/zinc/21/14/28/363211428.db2.gz IFWHOFPJBVBQDS-SDDRHHMPSA-N 2 1 230.421 2.058 20 0 BEADMP COCC[N@@H+](CC[C@H]1CCC[NH+]1C)CC(C)C ZINC000119167251 188247713 /nfs/dbraw/zinc/24/77/13/188247713.db2.gz AZGOHUZNRVOBDQ-CQSZACIVSA-N 2 1 242.407 2.075 20 0 BEADMP COCC[NH+](CC[C@H]1CCC[N@@H+]1C)CC(C)C ZINC000119167251 188247715 /nfs/dbraw/zinc/24/77/15/188247715.db2.gz AZGOHUZNRVOBDQ-CQSZACIVSA-N 2 1 242.407 2.075 20 0 BEADMP COCC[NH+](CC[C@H]1CCC[N@H+]1C)CC(C)C ZINC000119167251 188247717 /nfs/dbraw/zinc/24/77/17/188247717.db2.gz AZGOHUZNRVOBDQ-CQSZACIVSA-N 2 1 242.407 2.075 20 0 BEADMP CC(C)(C)[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000252849361 353311856 /nfs/dbraw/zinc/31/18/56/353311856.db2.gz HCTCUBLMJXWPCU-TZMCWYRMSA-N 2 1 224.392 2.354 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@@H]2C)C1 ZINC000252128733 353296884 /nfs/dbraw/zinc/29/68/84/353296884.db2.gz KLFHTYXLSZCLRG-MELADBBJSA-N 2 1 224.392 2.354 20 0 BEADMP C(C[N@H+]1C[C@@H]2CCC[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000252701543 353303875 /nfs/dbraw/zinc/30/38/75/353303875.db2.gz DNFGVZUXGHICIJ-MCIONIFRSA-N 2 1 222.376 2.108 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252755950 353304397 /nfs/dbraw/zinc/30/43/97/353304397.db2.gz BPGOMUXXMHZNTA-GXTWGEPZSA-N 2 1 232.371 2.418 20 0 BEADMP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085283173 538116146 /nfs/dbraw/zinc/11/61/46/538116146.db2.gz JKDGBULEUOPIDQ-MCIONIFRSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000336778901 188353768 /nfs/dbraw/zinc/35/37/68/188353768.db2.gz MQWBSIMREOTHHI-RYUDHWBXSA-N 2 1 228.355 2.199 20 0 BEADMP CC[C@](C)(C[N@H+]1CCC[C@H]([NH+](C)C)CC1)OC ZINC000639106207 353621158 /nfs/dbraw/zinc/62/11/58/353621158.db2.gz XBUPFOKVWHUAPX-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP CO[C@H](C)C[N@@H+](CCCn1ccnc1)C(C)C ZINC000343323209 353698285 /nfs/dbraw/zinc/69/82/85/353698285.db2.gz UGLZRJXLFOUZHP-CYBMUJFWSA-N 2 1 239.363 2.019 20 0 BEADMP CC(C)C[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000232654620 353745702 /nfs/dbraw/zinc/74/57/02/353745702.db2.gz OTNOTEOISXTQPE-QWHCGFSZSA-N 2 1 224.392 2.495 20 0 BEADMP Cc1ccc(F)c(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000220340765 353830779 /nfs/dbraw/zinc/83/07/79/353830779.db2.gz MYNLWWMGHNEGSJ-NEPJUHHUSA-N 2 1 236.334 2.303 20 0 BEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H]1CCSC1 ZINC000343610059 353932895 /nfs/dbraw/zinc/93/28/95/353932895.db2.gz YHJFIHWMUYOESA-CYBMUJFWSA-N 2 1 242.432 2.157 20 0 BEADMP C[C@H]1C[C@@H]1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000343614026 353933804 /nfs/dbraw/zinc/93/38/04/353933804.db2.gz IPDSJZKCPKORNS-QWHCGFSZSA-N 2 1 210.365 2.060 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000343921886 354043093 /nfs/dbraw/zinc/04/30/93/354043093.db2.gz FJISVXVKFYOBQT-MELADBBJSA-N 2 1 242.407 2.121 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000343921886 354043095 /nfs/dbraw/zinc/04/30/95/354043095.db2.gz FJISVXVKFYOBQT-MELADBBJSA-N 2 1 242.407 2.121 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000343923260 354043252 /nfs/dbraw/zinc/04/32/52/354043252.db2.gz GNERMXYMNQSQPH-IHRRRGAJSA-N 2 1 242.407 2.121 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000343923260 354043253 /nfs/dbraw/zinc/04/32/53/354043253.db2.gz GNERMXYMNQSQPH-IHRRRGAJSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@H]1CC[C@@H](C[NH2+]C2CC[NH+](C)CC2)C1 ZINC000230412776 363309631 /nfs/dbraw/zinc/30/96/31/363309631.db2.gz LSBVDMYJUCEHTF-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000343985894 354060679 /nfs/dbraw/zinc/06/06/79/354060679.db2.gz MRVGRZSUGRSVHZ-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000343985894 354060680 /nfs/dbraw/zinc/06/06/80/354060680.db2.gz MRVGRZSUGRSVHZ-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCCOCC1 ZINC000343985893 354060921 /nfs/dbraw/zinc/06/09/21/354060921.db2.gz MRVGRZSUGRSVHZ-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCCOCC1 ZINC000343985893 354060924 /nfs/dbraw/zinc/06/09/24/354060924.db2.gz MRVGRZSUGRSVHZ-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000230665694 363318057 /nfs/dbraw/zinc/31/80/57/363318057.db2.gz PVASBNATTFWUEZ-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP CCC(CC)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231465316 363343949 /nfs/dbraw/zinc/34/39/49/363343949.db2.gz JZEIDQMRWCVKAX-CYBMUJFWSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](CCC[C@H]1CCO1)CCC[NH+](C)C ZINC000639175105 354191477 /nfs/dbraw/zinc/19/14/77/354191477.db2.gz IOUNHPSAEUWHCM-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000449743392 202017166 /nfs/dbraw/zinc/01/71/66/202017166.db2.gz XFZJFYVDUMPKFH-XQLPTFJDSA-N 2 1 234.387 2.249 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)C[C@@](C)(OC)C1CC1 ZINC000639175766 354206429 /nfs/dbraw/zinc/20/64/29/354206429.db2.gz PSJJBXCHWBLLDR-CQSZACIVSA-N 2 1 242.407 2.075 20 0 BEADMP CC[C@](C)(C[N@@H+](C)[C@@H]1CCN(C)C[C@@H]1C)OC ZINC000639179541 354272423 /nfs/dbraw/zinc/27/24/23/354272423.db2.gz UCTSGLMUNNYPBY-BFHYXJOUSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@](C)(C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)OC ZINC000639179541 354272425 /nfs/dbraw/zinc/27/24/25/354272425.db2.gz UCTSGLMUNNYPBY-BFHYXJOUSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@](C)(C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)OC ZINC000639179541 354272426 /nfs/dbraw/zinc/27/24/26/354272426.db2.gz UCTSGLMUNNYPBY-BFHYXJOUSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@](C)(C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C)OC ZINC000639179541 354272428 /nfs/dbraw/zinc/27/24/28/354272428.db2.gz UCTSGLMUNNYPBY-BFHYXJOUSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@](C)(C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)OC ZINC000639179541 354272429 /nfs/dbraw/zinc/27/24/29/354272429.db2.gz UCTSGLMUNNYPBY-BFHYXJOUSA-N 2 1 242.407 2.074 20 0 BEADMP F[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000334641555 354397036 /nfs/dbraw/zinc/39/70/36/354397036.db2.gz BRIFKFFOUNLYAS-OLZOCXBDSA-N 2 1 226.339 2.093 20 0 BEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CCC1(F)F ZINC000334685093 354431033 /nfs/dbraw/zinc/43/10/33/354431033.db2.gz VNEDBJLLOZSNGF-NEPJUHHUSA-N 2 1 246.345 2.448 20 0 BEADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CCC1(F)F ZINC000334685093 354431036 /nfs/dbraw/zinc/43/10/36/354431036.db2.gz VNEDBJLLOZSNGF-NEPJUHHUSA-N 2 1 246.345 2.448 20 0 BEADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CCC1(F)F ZINC000334685093 354431041 /nfs/dbraw/zinc/43/10/41/354431041.db2.gz VNEDBJLLOZSNGF-NEPJUHHUSA-N 2 1 246.345 2.448 20 0 BEADMP CC[C@@H](C)C[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000233822529 363408423 /nfs/dbraw/zinc/40/84/23/363408423.db2.gz UCVOYEGZLKEYEY-NEPJUHHUSA-N 2 1 212.381 2.400 20 0 BEADMP C[C@@H](CCc1ccccc1)C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000346677418 355009918 /nfs/dbraw/zinc/00/99/18/355009918.db2.gz ZOZYETMQQUEDHN-ZFWWWQNUSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@@H](CCc1ccccc1)C[N@H+]1CC[C@H]([NH3+])C1 ZINC000346677418 355009921 /nfs/dbraw/zinc/00/99/21/355009921.db2.gz ZOZYETMQQUEDHN-ZFWWWQNUSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCCOc2ccccc21)C1C[NH2+]C1 ZINC000335240705 355145697 /nfs/dbraw/zinc/14/56/97/355145697.db2.gz NNUNCWKCJBZMGS-RISCZKNCSA-N 2 1 246.354 2.098 20 0 BEADMP c1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000335240769 355152618 /nfs/dbraw/zinc/15/26/18/355152618.db2.gz OYSBTQPVSUUDLW-CQSZACIVSA-N 2 1 246.354 2.242 20 0 BEADMP CCC[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346997593 355196151 /nfs/dbraw/zinc/19/61/51/355196151.db2.gz XMERJWBPIGIDBO-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]1CC[C@@]2(CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)C1 ZINC000347000069 355196773 /nfs/dbraw/zinc/19/67/73/355196773.db2.gz YKRJHKIOIJPCIJ-RBSFLKMASA-N 2 1 236.403 2.498 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1ccccc1OC ZINC000435876426 191329309 /nfs/dbraw/zinc/32/93/09/191329309.db2.gz IMROIHWTRCOFQV-AWEZNQCLSA-N 2 1 248.370 2.442 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)CS1 ZINC000639244742 355248302 /nfs/dbraw/zinc/24/83/02/355248302.db2.gz OQLHIIMSVQKORD-NEPJUHHUSA-N 2 1 242.432 2.344 20 0 BEADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H]1CC1(F)F ZINC000639245164 355241209 /nfs/dbraw/zinc/24/12/09/355241209.db2.gz STCMHMLOQKCQTF-ZYHUDNBSSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H]1CC1(F)F ZINC000639245157 355241260 /nfs/dbraw/zinc/24/12/60/355241260.db2.gz STCMHMLOQKCQTF-CMPLNLGQSA-N 2 1 246.345 2.494 20 0 BEADMP CC[C@H](C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1)OC ZINC000412975347 191346612 /nfs/dbraw/zinc/34/66/12/191346612.db2.gz FQWNLYLJSXVHRP-MELADBBJSA-N 2 1 242.407 2.216 20 0 BEADMP CC[C@H](C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)OC ZINC000412975347 191346615 /nfs/dbraw/zinc/34/66/15/191346615.db2.gz FQWNLYLJSXVHRP-MELADBBJSA-N 2 1 242.407 2.216 20 0 BEADMP C[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH2+]CC2 ZINC000335280259 355244257 /nfs/dbraw/zinc/24/42/57/355244257.db2.gz LEQHCFKWNLKILQ-ZDUSSCGKSA-N 2 1 245.370 2.046 20 0 BEADMP CC[C@H](C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C)OC ZINC000412978749 191348340 /nfs/dbraw/zinc/34/83/40/191348340.db2.gz RAENIUXGXWCRLM-MCIONIFRSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@H](C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C)OC ZINC000412978749 191348342 /nfs/dbraw/zinc/34/83/42/191348342.db2.gz RAENIUXGXWCRLM-MCIONIFRSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@H](C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C)OC ZINC000412978749 191348345 /nfs/dbraw/zinc/34/83/45/191348345.db2.gz RAENIUXGXWCRLM-MCIONIFRSA-N 2 1 242.407 2.074 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000113512204 355247767 /nfs/dbraw/zinc/24/77/67/355247767.db2.gz XJTJOTUTOHMARC-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP Cc1cc[nH+]c(NCCCC[N@H+](C)C2CC2)c1 ZINC000413349227 191373237 /nfs/dbraw/zinc/37/32/37/191373237.db2.gz QZGCNNKTPAICRT-UHFFFAOYSA-N 2 1 233.359 2.098 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CS1 ZINC000639256766 355300164 /nfs/dbraw/zinc/30/01/64/355300164.db2.gz FQTDWRMVEBMJDF-AGIUHOORSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CC1(F)F ZINC000639257180 355302014 /nfs/dbraw/zinc/30/20/14/355302014.db2.gz JYTZGNILVMPYGV-SDDRHHMPSA-N 2 1 246.345 2.352 20 0 BEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CC1(F)F ZINC000639257181 355302032 /nfs/dbraw/zinc/30/20/32/355302032.db2.gz JYTZGNILVMPYGV-SRVKXCTJSA-N 2 1 246.345 2.352 20 0 BEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1(C)CC1 ZINC000414202934 191460585 /nfs/dbraw/zinc/46/05/85/191460585.db2.gz ZONDGVKEAGMPBV-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)C[C@@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261687660 535283722 /nfs/dbraw/zinc/28/37/22/535283722.db2.gz ASIQRXNYXNVFDM-KBPBESRZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H](C[NH2+]C[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000414840097 191596401 /nfs/dbraw/zinc/59/64/01/191596401.db2.gz GLNNTYUPEVAKLN-BXUZGUMPSA-N 2 1 236.334 2.271 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000414986062 191641688 /nfs/dbraw/zinc/64/16/88/191641688.db2.gz WXZMUTJMOGIIII-LLVKDONJSA-N 2 1 226.751 2.475 20 0 BEADMP c1c[nH]c([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)c1 ZINC000335855801 355600653 /nfs/dbraw/zinc/60/06/53/355600653.db2.gz WJSVDCYSLVNGSV-CQSZACIVSA-N 2 1 233.359 2.151 20 0 BEADMP CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C1CC1 ZINC000166568668 355694397 /nfs/dbraw/zinc/69/43/97/355694397.db2.gz RDXWWSFBUCLKJF-ZDUSSCGKSA-N 2 1 212.381 2.495 20 0 BEADMP CC[N@H+]1CC[C@H](NCc2ccc(C)c(F)c2)C1 ZINC000389168849 355754814 /nfs/dbraw/zinc/75/48/14/355754814.db2.gz NGUBNLUQYZFCLN-ZDUSSCGKSA-N 2 1 236.334 2.318 20 0 BEADMP CC[N@H+]1CC[C@@H](NCc2ccc(C)c(F)c2)C1 ZINC000389168847 355754823 /nfs/dbraw/zinc/75/48/23/355754823.db2.gz NGUBNLUQYZFCLN-CYBMUJFWSA-N 2 1 236.334 2.318 20 0 BEADMP CS[C@@H]1CC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000425340275 191811703 /nfs/dbraw/zinc/81/17/03/191811703.db2.gz ADDNZANJGNKEFR-QWHCGFSZSA-N 2 1 242.432 2.344 20 0 BEADMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639346655 355793093 /nfs/dbraw/zinc/79/30/93/355793093.db2.gz HUHHWKWZSLIQFD-APIJFGDWSA-N 2 1 236.403 2.354 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000351423357 355989104 /nfs/dbraw/zinc/98/91/04/355989104.db2.gz VMYYMCYJOFVPGU-YVECIDJPSA-N 2 1 210.365 2.057 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000351423357 355989110 /nfs/dbraw/zinc/98/91/10/355989110.db2.gz VMYYMCYJOFVPGU-YVECIDJPSA-N 2 1 210.365 2.057 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000351423357 355989116 /nfs/dbraw/zinc/98/91/16/355989116.db2.gz VMYYMCYJOFVPGU-YVECIDJPSA-N 2 1 210.365 2.057 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000351423357 355989121 /nfs/dbraw/zinc/98/91/21/355989121.db2.gz VMYYMCYJOFVPGU-YVECIDJPSA-N 2 1 210.365 2.057 20 0 BEADMP CCC(C)(C)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351494625 356001638 /nfs/dbraw/zinc/00/16/38/356001638.db2.gz OLTYAYQOPFGGGH-XQQFMLRXSA-N 2 1 224.392 2.482 20 0 BEADMP Cc1ccc(CC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000351495959 356002498 /nfs/dbraw/zinc/00/24/98/356002498.db2.gz QISUVHKFVRAMGI-JYJNAYRXSA-N 2 1 244.382 2.207 20 0 BEADMP Cc1ccc(CC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000335906400 356106042 /nfs/dbraw/zinc/10/60/42/356106042.db2.gz DDUNNXGGHUFYTG-HZPDHXFCSA-N 2 1 244.382 2.221 20 0 BEADMP CCc1ccc(CC[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000351861573 356099126 /nfs/dbraw/zinc/09/91/26/356099126.db2.gz KRIDWAGZXOIVOM-BBRMVZONSA-N 2 1 246.398 2.461 20 0 BEADMP Cc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])c(C)n1 ZINC000420295826 192204240 /nfs/dbraw/zinc/20/42/40/192204240.db2.gz WCXDAIVVAYYNHY-UHFFFAOYSA-N 2 1 235.375 2.115 20 0 BEADMP Cc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])c(C)n1 ZINC000420295826 192204242 /nfs/dbraw/zinc/20/42/42/192204242.db2.gz WCXDAIVVAYYNHY-UHFFFAOYSA-N 2 1 235.375 2.115 20 0 BEADMP C[C@@H]1C[N@@H+](CCCc2ccsc2)CC[C@H]1[NH3+] ZINC000420296018 192204673 /nfs/dbraw/zinc/20/46/73/192204673.db2.gz WLBHZYFXJWROCO-DGCLKSJQSA-N 2 1 238.400 2.350 20 0 BEADMP CCc1ccccc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000420278250 192198912 /nfs/dbraw/zinc/19/89/12/192198912.db2.gz VEUMJIMXHIWDTJ-UHFFFAOYSA-N 2 1 232.371 2.433 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C)nc2C)C1 ZINC000420278994 192198974 /nfs/dbraw/zinc/19/89/74/192198974.db2.gz WVOGJWFMAFINRN-AWEZNQCLSA-N 2 1 247.386 2.130 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C)nc2C)C1 ZINC000420278994 192198977 /nfs/dbraw/zinc/19/89/77/192198977.db2.gz WVOGJWFMAFINRN-AWEZNQCLSA-N 2 1 247.386 2.130 20 0 BEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000420321219 192199873 /nfs/dbraw/zinc/19/98/73/192199873.db2.gz ZSZYPPZYGPUWIU-UONOGXRCSA-N 2 1 240.391 2.006 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000420281779 192200272 /nfs/dbraw/zinc/20/02/72/192200272.db2.gz AJWSCCZZTMMPFP-MELADBBJSA-N 2 1 240.391 2.005 20 0 BEADMP CC(C)C[C@H](C)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000420286471 192201497 /nfs/dbraw/zinc/20/14/97/192201497.db2.gz GRGADVGONLFVGE-AAEUAGOBSA-N 2 1 212.381 2.386 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCCc1ccncc1 ZINC000420287068 192202134 /nfs/dbraw/zinc/20/21/34/192202134.db2.gz HJJJJQGBJVFVJR-OAHLLOKOSA-N 2 1 249.402 2.319 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCCc2ccncc2)C1 ZINC000420292679 192202516 /nfs/dbraw/zinc/20/25/16/192202516.db2.gz PVJXNQJUOOGUTD-ZFWWWQNUSA-N 2 1 247.386 2.073 20 0 BEADMP CC[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330940 192215139 /nfs/dbraw/zinc/21/51/39/192215139.db2.gz QIJUWGRVSDWWHN-RWMBFGLXSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCCC1CCCC1 ZINC000420348774 192217370 /nfs/dbraw/zinc/21/73/70/192217370.db2.gz AWOPEUVDTAXNLV-AAEUAGOBSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCCC1CCCC1 ZINC000420348774 192217372 /nfs/dbraw/zinc/21/73/72/192217372.db2.gz AWOPEUVDTAXNLV-AAEUAGOBSA-N 2 1 210.365 2.378 20 0 BEADMP CCCCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420351731 192218212 /nfs/dbraw/zinc/21/82/12/192218212.db2.gz AFUMPMNYLJTOKZ-ZDUSSCGKSA-N 2 1 210.365 2.252 20 0 BEADMP Cc1cnc([C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000420305106 192208679 /nfs/dbraw/zinc/20/86/79/192208679.db2.gz JSTHXOIRTCNVIT-WUHRBBMRSA-N 2 1 249.358 2.103 20 0 BEADMP Cc1cnc([C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000420305106 192208682 /nfs/dbraw/zinc/20/86/82/192208682.db2.gz JSTHXOIRTCNVIT-WUHRBBMRSA-N 2 1 249.358 2.103 20 0 BEADMP Cc1cnc([C@@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)o1 ZINC000420305464 192208809 /nfs/dbraw/zinc/20/88/09/192208809.db2.gz GKKKDZFDJFZYOU-NEPJUHHUSA-N 2 1 237.347 2.105 20 0 BEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC[C@H]1CCCCO1 ZINC000420307714 192209763 /nfs/dbraw/zinc/20/97/63/192209763.db2.gz CDTUGCHEWSGGHJ-UONOGXRCSA-N 2 1 240.391 2.149 20 0 BEADMP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000420312764 192210092 /nfs/dbraw/zinc/21/00/92/192210092.db2.gz XEFVUJFYQPJBFM-KCQAQPDRSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000420312764 192210095 /nfs/dbraw/zinc/21/00/95/192210095.db2.gz XEFVUJFYQPJBFM-KCQAQPDRSA-N 2 1 232.371 2.459 20 0 BEADMP CCc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000420311395 192210617 /nfs/dbraw/zinc/21/06/17/192210617.db2.gz RBDVXMNDVUEMCZ-XHSDSOJGSA-N 2 1 244.382 2.418 20 0 BEADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)C(C1CC1)C1CC1 ZINC000420311002 192211740 /nfs/dbraw/zinc/21/17/40/192211740.db2.gz VQEHAAFNGSTCGV-NSHDSACASA-N 2 1 222.376 2.106 20 0 BEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCCc1ccncc1 ZINC000420314008 192212905 /nfs/dbraw/zinc/21/29/05/192212905.db2.gz KPVUCJCOSLERLT-OAHLLOKOSA-N 2 1 247.386 2.218 20 0 BEADMP CC[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(OC)cc1 ZINC000420368653 192226367 /nfs/dbraw/zinc/22/63/67/192226367.db2.gz ICCVTUMRJRMIBU-MFKMUULPSA-N 2 1 222.332 2.083 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1C ZINC000420370568 192226911 /nfs/dbraw/zinc/22/69/11/192226911.db2.gz JOXPGKXWNYVXDZ-NEPJUHHUSA-N 2 1 206.333 2.301 20 0 BEADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000639532161 356381752 /nfs/dbraw/zinc/38/17/52/356381752.db2.gz BIMFKAYCJCBTOX-XQQFMLRXSA-N 2 1 249.358 2.014 20 0 BEADMP Cc1ccc([C@]2(C)CC[N@@H+](C[C@@H](C)[NH3+])C2)cc1 ZINC000420357483 192219233 /nfs/dbraw/zinc/21/92/33/192219233.db2.gz HYDPUFQKESKLMN-UKRRQHHQSA-N 2 1 232.371 2.306 20 0 BEADMP Cc1ccc([C@]2(C)CC[N@H+](C[C@@H](C)[NH3+])C2)cc1 ZINC000420357483 192219235 /nfs/dbraw/zinc/21/92/35/192219235.db2.gz HYDPUFQKESKLMN-UKRRQHHQSA-N 2 1 232.371 2.306 20 0 BEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCc1ccccc1 ZINC000420357828 192219521 /nfs/dbraw/zinc/21/95/21/192219521.db2.gz HVOPCRSYNSIIEJ-CYBMUJFWSA-N 2 1 220.360 2.192 20 0 BEADMP c1cncc([C@@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420354798 192219826 /nfs/dbraw/zinc/21/98/26/192219826.db2.gz DKELWUYPNHISHL-ZFWWWQNUSA-N 2 1 245.370 2.218 20 0 BEADMP CC[C@H]1Cc2ccccc2C[N@@H+]1C[C@@H](C)[NH3+] ZINC000420356969 192220405 /nfs/dbraw/zinc/22/04/05/192220405.db2.gz HIDGLPDBINMSMK-RISCZKNCSA-N 2 1 218.344 2.171 20 0 BEADMP CC[C@H]1Cc2ccccc2C[N@H+]1C[C@@H](C)[NH3+] ZINC000420356969 192220408 /nfs/dbraw/zinc/22/04/08/192220408.db2.gz HIDGLPDBINMSMK-RISCZKNCSA-N 2 1 218.344 2.171 20 0 BEADMP CCCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420409531 192239239 /nfs/dbraw/zinc/23/92/39/192239239.db2.gz XFHIXICTTJSTMH-QWHCGFSZSA-N 2 1 210.365 2.251 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1F ZINC000420415727 192240685 /nfs/dbraw/zinc/24/06/85/192240685.db2.gz VDEJXEXJHUWWKI-ZJUUUORDSA-N 2 1 210.296 2.132 20 0 BEADMP Cc1cc(NC2CCC([NH+](C)C)CC2)nc(C)[nH+]1 ZINC000420627967 192250997 /nfs/dbraw/zinc/25/09/97/192250997.db2.gz OJNOVCRAXAWXME-UHFFFAOYSA-N 2 1 248.374 2.378 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000580381481 356440436 /nfs/dbraw/zinc/44/04/36/356440436.db2.gz GNERMXYMNQSQPH-MGPQQGTHSA-N 2 1 242.407 2.121 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000580381481 356440440 /nfs/dbraw/zinc/44/04/40/356440440.db2.gz GNERMXYMNQSQPH-MGPQQGTHSA-N 2 1 242.407 2.121 20 0 BEADMP CCc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cn1 ZINC000352245224 134118649 /nfs/dbraw/zinc/11/86/49/134118649.db2.gz FDLKWDPWINBHMV-UHFFFAOYSA-N 2 1 249.402 2.321 20 0 BEADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCC[C@H]1C1CCC1 ZINC000336197081 134127096 /nfs/dbraw/zinc/12/70/96/134127096.db2.gz KGEHHXQTCKIYLX-JSGCOSHPSA-N 2 1 222.376 2.251 20 0 BEADMP CCCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682114 356592777 /nfs/dbraw/zinc/59/27/77/356592777.db2.gz LDZZGDZKZWYQSG-UHFFFAOYSA-N 2 1 233.359 2.394 20 0 BEADMP Cc1ccsc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000167608103 134153044 /nfs/dbraw/zinc/15/30/44/134153044.db2.gz DSFLDCQYYBKWSA-ZYHUDNBSSA-N 2 1 238.400 2.473 20 0 BEADMP CCc1cc(N(C)C[C@H]2CCC[N@@H+](C)C2)cc[nH+]1 ZINC000450333632 202132632 /nfs/dbraw/zinc/13/26/32/202132632.db2.gz QJLPMJXSXXSSDQ-ZDUSSCGKSA-N 2 1 247.386 2.422 20 0 BEADMP CC(C)C[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000216542719 134149849 /nfs/dbraw/zinc/14/98/49/134149849.db2.gz IKMDKKJRPXPMIM-QWHCGFSZSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)C[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000216542719 134149850 /nfs/dbraw/zinc/14/98/50/134149850.db2.gz IKMDKKJRPXPMIM-QWHCGFSZSA-N 2 1 212.381 2.495 20 0 BEADMP C[NH+]1CCC2(CC[N@@H+](CC3CC=CC3)C2)CC1 ZINC000639754624 356656230 /nfs/dbraw/zinc/65/62/30/356656230.db2.gz DCHGJLMUIGNUHL-UHFFFAOYSA-N 2 1 234.387 2.370 20 0 BEADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000070828320 325036011 /nfs/dbraw/zinc/03/60/11/325036011.db2.gz PYOKJFOPPONBTB-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP CCc1cnccc1[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000359329144 356888059 /nfs/dbraw/zinc/88/80/59/356888059.db2.gz ITHGPQNGZREVEI-LBPRGKRZSA-N 2 1 247.386 2.389 20 0 BEADMP CC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)cn1 ZINC000423179653 192612350 /nfs/dbraw/zinc/61/23/50/192612350.db2.gz HVTOQPIEGRIDFO-LBPRGKRZSA-N 2 1 237.322 2.013 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623375493 356894650 /nfs/dbraw/zinc/89/46/50/356894650.db2.gz PZFTWUNHJZWXSK-DGCLKSJQSA-N 2 1 224.392 2.495 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)Cc2ccoc2)CC1 ZINC000359966039 356899242 /nfs/dbraw/zinc/89/92/42/356899242.db2.gz JEEFHRKQTOYGGL-LBPRGKRZSA-N 2 1 236.359 2.285 20 0 BEADMP CC(C)[C@H](CCc1ccccc1)[NH2+]CC[NH3+] ZINC000423177999 192610543 /nfs/dbraw/zinc/61/05/43/192610543.db2.gz FMAYBHKGFZVTFM-AWEZNQCLSA-N 2 1 220.360 2.192 20 0 BEADMP C[NH2+]CCC[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000423207621 192627420 /nfs/dbraw/zinc/62/74/20/192627420.db2.gz XUXCZHOTYJURLA-NSHDSACASA-N 2 1 238.379 2.033 20 0 BEADMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cccc(F)c1F ZINC000423227500 192638999 /nfs/dbraw/zinc/63/89/99/192638999.db2.gz WAOAZKKAZCBVJH-DTWKUNHWSA-N 2 1 228.286 2.353 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCCCCC1 ZINC000389754972 357026777 /nfs/dbraw/zinc/02/67/77/357026777.db2.gz OOMBSBQYECPAOT-YPMHNXCESA-N 2 1 210.365 2.297 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+]C1(C2CC2)CC1 ZINC000381425183 357045398 /nfs/dbraw/zinc/04/53/98/357045398.db2.gz YNEKNBIYJAQJEB-UHFFFAOYSA-N 2 1 219.332 2.114 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C2(C3CC3)CC2)CC[N@@H+]1C ZINC000389602806 357000865 /nfs/dbraw/zinc/00/08/65/357000865.db2.gz VXKWGMFKRMREAG-JQWIXIFHSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C2(C3CC3)CC2)CC[N@H+]1C ZINC000389602806 357000868 /nfs/dbraw/zinc/00/08/68/357000868.db2.gz VXKWGMFKRMREAG-JQWIXIFHSA-N 2 1 208.349 2.001 20 0 BEADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(O)c2)CC1(C)C ZINC000623394349 357009673 /nfs/dbraw/zinc/00/96/73/357009673.db2.gz BUBHTDLGQDGBHA-CYBMUJFWSA-N 2 1 248.370 2.355 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(O)c2)CC1(C)C ZINC000623394349 357009676 /nfs/dbraw/zinc/00/96/76/357009676.db2.gz BUBHTDLGQDGBHA-CYBMUJFWSA-N 2 1 248.370 2.355 20 0 BEADMP CC[N@H+](CC(C)=O)Cc1ccc(C[NH+](C)C)cc1 ZINC000639894285 357230251 /nfs/dbraw/zinc/23/02/51/357230251.db2.gz ANBWLUGJERBCGK-UHFFFAOYSA-N 2 1 248.370 2.159 20 0 BEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(O)cc2)C1 ZINC000628425751 357253149 /nfs/dbraw/zinc/25/31/49/357253149.db2.gz UKPSBFRIJFSKGT-CQSZACIVSA-N 2 1 248.370 2.214 20 0 BEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000628425710 357253551 /nfs/dbraw/zinc/25/35/51/357253551.db2.gz SNBGIOCXBXMITM-XGUBFFRZSA-N 2 1 236.403 2.497 20 0 BEADMP C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000393406646 357308404 /nfs/dbraw/zinc/30/84/04/357308404.db2.gz VRZFRUNDYHTOSD-AICCOOGYSA-N 2 1 234.387 2.391 20 0 BEADMP C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000393406646 357308408 /nfs/dbraw/zinc/30/84/08/357308408.db2.gz VRZFRUNDYHTOSD-AICCOOGYSA-N 2 1 234.387 2.391 20 0 BEADMP C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)C(C)(C)C ZINC000168333653 134197807 /nfs/dbraw/zinc/19/78/07/134197807.db2.gz MPQVLLIGAAWRKP-LBPRGKRZSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000583054021 357462176 /nfs/dbraw/zinc/46/21/76/357462176.db2.gz DQSDHUIOTFLKBZ-MGPQQGTHSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000583054021 357462178 /nfs/dbraw/zinc/46/21/78/357462178.db2.gz DQSDHUIOTFLKBZ-MGPQQGTHSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCC(OC)CC1 ZINC000230388956 357532048 /nfs/dbraw/zinc/53/20/48/357532048.db2.gz DZEIAFUGLBKRTM-HSBZDZAISA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCC(OC)CC1 ZINC000230388956 357532054 /nfs/dbraw/zinc/53/20/54/357532054.db2.gz DZEIAFUGLBKRTM-HSBZDZAISA-N 2 1 242.407 2.264 20 0 BEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCCCC1 ZINC000132063187 325196555 /nfs/dbraw/zinc/19/65/55/325196555.db2.gz DLLBGMZBBXMCQZ-AAEUAGOBSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCCCC1 ZINC000132063187 325196559 /nfs/dbraw/zinc/19/65/59/325196559.db2.gz DLLBGMZBBXMCQZ-AAEUAGOBSA-N 2 1 210.365 2.249 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000189930617 357677120 /nfs/dbraw/zinc/67/71/20/357677120.db2.gz LGTXDMMDFNTHKC-ZDUSSCGKSA-N 2 1 244.423 2.057 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CCC1 ZINC000133404954 325293481 /nfs/dbraw/zinc/29/34/81/325293481.db2.gz ZRLRJUMLAAGYPE-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)CC2CC2)C1 ZINC000229692391 491119239 /nfs/dbraw/zinc/11/92/39/491119239.db2.gz HRPADKIECJKYNH-OCCSQVGLSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2CCCCC2)CC[N@@H+]1C ZINC000090720400 363595697 /nfs/dbraw/zinc/59/56/97/363595697.db2.gz HKTQAIPQZUROAC-DGCLKSJQSA-N 2 1 210.365 2.391 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2CCCCC2)CC[N@H+]1C ZINC000090720400 363595706 /nfs/dbraw/zinc/59/57/06/363595706.db2.gz HKTQAIPQZUROAC-DGCLKSJQSA-N 2 1 210.365 2.391 20 0 BEADMP Fc1ccccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000168703279 134246440 /nfs/dbraw/zinc/24/64/40/134246440.db2.gz MMVIFQZVUPXYND-GFCCVEGCSA-N 2 1 222.307 2.057 20 0 BEADMP COCCCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860426 325318257 /nfs/dbraw/zinc/31/82/57/325318257.db2.gz XOEFTJGPHATTAO-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000037484243 358072596 /nfs/dbraw/zinc/07/25/96/358072596.db2.gz UGRQIMHAELXZIR-NSHDSACASA-N 2 1 222.376 2.106 20 0 BEADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000043561503 358381780 /nfs/dbraw/zinc/38/17/80/358381780.db2.gz HHBOZYJSMKXNTH-GFCCVEGCSA-N 2 1 231.343 2.286 20 0 BEADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000043561503 358381782 /nfs/dbraw/zinc/38/17/82/358381782.db2.gz HHBOZYJSMKXNTH-GFCCVEGCSA-N 2 1 231.343 2.286 20 0 BEADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C(C)C ZINC000044533306 358389318 /nfs/dbraw/zinc/38/93/18/358389318.db2.gz TWUMGMMGQQATDM-CHWSQXEVSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccnc1 ZINC000044535032 358389404 /nfs/dbraw/zinc/38/94/04/358389404.db2.gz FRWGJXCXPRXFEP-OLZOCXBDSA-N 2 1 233.359 2.074 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccnc1 ZINC000044535032 358389406 /nfs/dbraw/zinc/38/94/06/358389406.db2.gz FRWGJXCXPRXFEP-OLZOCXBDSA-N 2 1 233.359 2.074 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(O)c1 ZINC000044534564 358389527 /nfs/dbraw/zinc/38/95/27/358389527.db2.gz ZXDUYUYVSOILOH-CHWSQXEVSA-N 2 1 248.370 2.385 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000044535026 358390054 /nfs/dbraw/zinc/39/00/54/358390054.db2.gz IUUHDEBWQKNNHR-QWHCGFSZSA-N 2 1 233.359 2.074 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccnc1 ZINC000044535034 358390121 /nfs/dbraw/zinc/39/01/21/358390121.db2.gz FRWGJXCXPRXFEP-QWHCGFSZSA-N 2 1 233.359 2.074 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccnc1 ZINC000044535034 358390122 /nfs/dbraw/zinc/39/01/22/358390122.db2.gz FRWGJXCXPRXFEP-QWHCGFSZSA-N 2 1 233.359 2.074 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC000044533302 358390174 /nfs/dbraw/zinc/39/01/74/358390174.db2.gz TWUMGMMGQQATDM-QWHCGFSZSA-N 2 1 212.381 2.352 20 0 BEADMP CCCCOCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127999396 358568911 /nfs/dbraw/zinc/56/89/11/358568911.db2.gz XTPIKNBNZCNBEZ-ZIAGYGMSSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043324807 358536699 /nfs/dbraw/zinc/53/66/99/358536699.db2.gz LDTWOPORHNEUHJ-UKRRQHHQSA-N 2 1 232.371 2.349 20 0 BEADMP CC[NH+]1CCC([NH2+]C2CCC(OC)CC2)CC1 ZINC000130026244 358605638 /nfs/dbraw/zinc/60/56/38/358605638.db2.gz GWLLBMOANOAFPM-UHFFFAOYSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)s1 ZINC000049538743 358694106 /nfs/dbraw/zinc/69/41/06/358694106.db2.gz UUHDPIIFDSRNHS-LDYMZIIASA-N 2 1 241.404 2.394 20 0 BEADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccncc1 ZINC000049553105 358694415 /nfs/dbraw/zinc/69/44/15/358694415.db2.gz RAQMKHJUQLAECH-RYUDHWBXSA-N 2 1 221.348 2.072 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc(O)c1 ZINC000133339042 358751910 /nfs/dbraw/zinc/75/19/10/358751910.db2.gz LMWZSDMKWQEDNW-AWEZNQCLSA-N 2 1 236.359 2.197 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCCC(F)(F)F)CC[N@H+]1C ZINC000132334274 358718863 /nfs/dbraw/zinc/71/88/63/358718863.db2.gz KESZLUBLUSPBQK-NXEZZACHSA-N 2 1 238.297 2.401 20 0 BEADMP C[NH2+]CCC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050600625 358734073 /nfs/dbraw/zinc/73/40/73/358734073.db2.gz TWLFPRBWCYLNLY-CQSZACIVSA-N 2 1 218.344 2.085 20 0 BEADMP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000134735573 358804196 /nfs/dbraw/zinc/80/41/96/358804196.db2.gz VOOIPVWPMDCIDY-LBPRGKRZSA-N 2 1 210.365 2.344 20 0 BEADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000134735573 358804199 /nfs/dbraw/zinc/80/41/99/358804199.db2.gz VOOIPVWPMDCIDY-LBPRGKRZSA-N 2 1 210.365 2.344 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000396638407 358941318 /nfs/dbraw/zinc/94/13/18/358941318.db2.gz HFHSFEFSUZTZIA-MAZHCROVSA-N 2 1 244.382 2.274 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000396638415 358941384 /nfs/dbraw/zinc/94/13/84/358941384.db2.gz HFHSFEFSUZTZIA-VBNZEHGJSA-N 2 1 244.382 2.274 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC[N@H+](C)C2CCCC2)CCO1 ZINC000070362060 359052480 /nfs/dbraw/zinc/05/24/80/359052480.db2.gz FKCGQLOERARJEF-CHWSQXEVSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)CCO1 ZINC000070362060 359052485 /nfs/dbraw/zinc/05/24/85/359052485.db2.gz FKCGQLOERARJEF-CHWSQXEVSA-N 2 1 240.391 2.018 20 0 BEADMP C[N@H+]1CCC[C@@H]2CN(C/C=C/Cl)CC[C@H]21 ZINC000248197941 359258797 /nfs/dbraw/zinc/25/87/97/359258797.db2.gz XRNXTWPJMRBORC-JKNNBXRXSA-N 2 1 228.767 2.155 20 0 BEADMP C[N@@H+]1CCC[C@@H]2C[NH+](C/C=C/Cl)CC[C@H]21 ZINC000248197941 359258801 /nfs/dbraw/zinc/25/88/01/359258801.db2.gz XRNXTWPJMRBORC-JKNNBXRXSA-N 2 1 228.767 2.155 20 0 BEADMP C[N@H+]1CCC[C@@H]2C[NH+](C/C=C/Cl)CC[C@H]21 ZINC000248197941 359258808 /nfs/dbraw/zinc/25/88/08/359258808.db2.gz XRNXTWPJMRBORC-JKNNBXRXSA-N 2 1 228.767 2.155 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@H+](C/C=C/Cl)CC[C@H]21 ZINC000248197941 359258811 /nfs/dbraw/zinc/25/88/11/359258811.db2.gz XRNXTWPJMRBORC-JKNNBXRXSA-N 2 1 228.767 2.155 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C/C=C/Cl)CC[C@H]21 ZINC000248197941 359258814 /nfs/dbraw/zinc/25/88/14/359258814.db2.gz XRNXTWPJMRBORC-JKNNBXRXSA-N 2 1 228.767 2.155 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(O)c2)[C@@H](C)C1 ZINC000247258307 359206281 /nfs/dbraw/zinc/20/62/81/359206281.db2.gz ZRMUKUDKAOYBNI-WFASDCNBSA-N 2 1 248.370 2.212 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(O)c2)[C@@H](C)C1 ZINC000247258307 359206292 /nfs/dbraw/zinc/20/62/92/359206292.db2.gz ZRMUKUDKAOYBNI-WFASDCNBSA-N 2 1 248.370 2.212 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000223816889 491140566 /nfs/dbraw/zinc/14/05/66/491140566.db2.gz LBYXVLIOFXMVBU-ZIAGYGMSSA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCS[C@@H](C)CC1 ZINC000379530567 359536826 /nfs/dbraw/zinc/53/68/26/359536826.db2.gz CJCXOFFQNDMWDE-RYUDHWBXSA-N 2 1 230.421 2.187 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCS[C@@H](C)CC1 ZINC000379530567 359536830 /nfs/dbraw/zinc/53/68/30/359536830.db2.gz CJCXOFFQNDMWDE-RYUDHWBXSA-N 2 1 230.421 2.187 20 0 BEADMP CCC(=O)CCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000450852430 202290737 /nfs/dbraw/zinc/29/07/37/202290737.db2.gz FLAUGOCDYCMKDK-ZDUSSCGKSA-N 2 1 240.391 2.162 20 0 BEADMP COCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164141 359939602 /nfs/dbraw/zinc/93/96/02/359939602.db2.gz YQPBGIFKQQNBCG-FUDCBSFHSA-N 2 1 240.391 2.016 20 0 BEADMP COCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164141 359939603 /nfs/dbraw/zinc/93/96/03/359939603.db2.gz YQPBGIFKQQNBCG-FUDCBSFHSA-N 2 1 240.391 2.016 20 0 BEADMP COCc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000088555214 359966131 /nfs/dbraw/zinc/96/61/31/359966131.db2.gz HANJLFZRPXIHTB-HNNXBMFYSA-N 2 1 248.370 2.004 20 0 BEADMP CCC(CC)[N@@H+](CCOC)CC[C@H]1CC[NH2+]C1 ZINC000089749291 360037077 /nfs/dbraw/zinc/03/70/77/360037077.db2.gz PMEDPOWHTMISMZ-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cccc(F)c1 ZINC000089749131 360037325 /nfs/dbraw/zinc/03/73/25/360037325.db2.gz VUEBKAYJFRYCQO-LBPRGKRZSA-N 2 1 236.334 2.257 20 0 BEADMP CCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000090219447 360065711 /nfs/dbraw/zinc/06/57/11/360065711.db2.gz VDXFCZBOUYYXFI-QWHCGFSZSA-N 2 1 222.376 2.393 20 0 BEADMP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)o1 ZINC000093088813 360216898 /nfs/dbraw/zinc/21/68/98/360216898.db2.gz CIAOKTOGJAIHOT-UHFFFAOYSA-N 2 1 236.359 2.362 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000309347139 491148203 /nfs/dbraw/zinc/14/82/03/491148203.db2.gz LZQRZICXZAOHLR-KWCYVHTRSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000309347139 491148204 /nfs/dbraw/zinc/14/82/04/491148204.db2.gz LZQRZICXZAOHLR-KWCYVHTRSA-N 2 1 224.392 2.493 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](C/C=C/Cl)C[C@H]1C[NH3+] ZINC000306546855 360417814 /nfs/dbraw/zinc/41/78/14/360417814.db2.gz AQJLGTGIJXHSEB-DYSSWMIWSA-N 2 1 216.756 2.044 20 0 BEADMP Cc1cncc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623475174 360421016 /nfs/dbraw/zinc/42/10/16/360421016.db2.gz CWZMNSJAMOQEFO-CQSZACIVSA-N 2 1 247.386 2.352 20 0 BEADMP Cc1cncc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623475174 360421024 /nfs/dbraw/zinc/42/10/24/360421024.db2.gz CWZMNSJAMOQEFO-CQSZACIVSA-N 2 1 247.386 2.352 20 0 BEADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000156111703 360949481 /nfs/dbraw/zinc/94/94/81/360949481.db2.gz FKOJVURKNHCQQM-AGIUHOORSA-N 2 1 212.381 2.493 20 0 BEADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000156111703 360949484 /nfs/dbraw/zinc/94/94/84/360949484.db2.gz FKOJVURKNHCQQM-AGIUHOORSA-N 2 1 212.381 2.493 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC2CCCC2)CC[N@H+]1C ZINC000155880727 360932239 /nfs/dbraw/zinc/93/22/39/360932239.db2.gz LRDUKCGLVODQIS-YPMHNXCESA-N 2 1 210.365 2.249 20 0 BEADMP Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000414885164 200774995 /nfs/dbraw/zinc/77/49/95/200774995.db2.gz ORZGMHQRULMLFI-DZGCQCFKSA-N 2 1 232.371 2.268 20 0 BEADMP c1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414884769 200775285 /nfs/dbraw/zinc/77/52/85/200775285.db2.gz OPINMGUHHSZUAD-SOUVJXGZSA-N 2 1 230.355 2.274 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000309676683 491153962 /nfs/dbraw/zinc/15/39/62/491153962.db2.gz LZQRZICXZAOHLR-FPMFFAJLSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000309676683 491153963 /nfs/dbraw/zinc/15/39/63/491153963.db2.gz LZQRZICXZAOHLR-FPMFFAJLSA-N 2 1 224.392 2.493 20 0 BEADMP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000629409252 361057817 /nfs/dbraw/zinc/05/78/17/361057817.db2.gz OOQVVOTXNPRZOG-ATGSNQNLSA-N 2 1 230.355 2.130 20 0 BEADMP Fc1ccc([C@H]2CCC[C@@H]2[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000629409894 361057940 /nfs/dbraw/zinc/05/79/40/361057940.db2.gz WENUPQKYSAAKNW-KFWWJZLASA-N 2 1 248.345 2.413 20 0 BEADMP c1ccc(C[C@H]2CCC[C@H]2[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000629409833 361059363 /nfs/dbraw/zinc/05/93/63/361059363.db2.gz QKVRXHYFZWJNQZ-BZUAXINKSA-N 2 1 244.382 2.349 20 0 BEADMP CC[C@@H](C[NH2+][C@@H](C)C[NH3+])c1ccccc1 ZINC000161997103 361073996 /nfs/dbraw/zinc/07/39/96/361073996.db2.gz UGDLPLMACHWCGH-RYUDHWBXSA-N 2 1 206.333 2.117 20 0 BEADMP CCC[C@@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)OCC ZINC000629515893 361109952 /nfs/dbraw/zinc/10/99/52/361109952.db2.gz VTXDUMGRXNGFCR-RDBSUJKOSA-N 2 1 242.407 2.312 20 0 BEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CSC1 ZINC000309747741 491155958 /nfs/dbraw/zinc/15/59/58/491155958.db2.gz GBEJWPNFRYQNCW-GFCCVEGCSA-N 2 1 242.432 2.346 20 0 BEADMP CC(C)OC1CC([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000428270484 201004585 /nfs/dbraw/zinc/00/45/85/201004585.db2.gz ZFQHOTVYLOIGJX-UHFFFAOYSA-N 2 1 242.407 2.262 20 0 BEADMP CCC[N@@H+](CC)CCCc1cncn1C ZINC000579241832 366743900 /nfs/dbraw/zinc/74/39/00/366743900.db2.gz JLBWBTGKDRUGPK-UHFFFAOYSA-N 2 1 209.337 2.085 20 0 BEADMP CCC[N@H+](CC)CCCc1c[nH+]cn1C ZINC000579241832 366743903 /nfs/dbraw/zinc/74/39/03/366743903.db2.gz JLBWBTGKDRUGPK-UHFFFAOYSA-N 2 1 209.337 2.085 20 0 BEADMP CCC[N@@H+](CC)CCCc1c[nH+]cn1C ZINC000579241832 366743907 /nfs/dbraw/zinc/74/39/07/366743907.db2.gz JLBWBTGKDRUGPK-UHFFFAOYSA-N 2 1 209.337 2.085 20 0 BEADMP [NH3+]C1(C[NH2+][C@H]2CCc3c2cccc3F)CCC1 ZINC000336250778 181332035 /nfs/dbraw/zinc/33/20/35/181332035.db2.gz SKPQENYLPHVTRZ-ZDUSSCGKSA-N 2 1 234.318 2.284 20 0 BEADMP CCC[C@@H](C)CCC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000629535738 361410159 /nfs/dbraw/zinc/41/01/59/361410159.db2.gz DPVNBTPXQRBXDG-ZIAGYGMSSA-N 2 1 242.407 2.252 20 0 BEADMP CC(C)C1CC([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000629542740 361420724 /nfs/dbraw/zinc/42/07/24/361420724.db2.gz KKMKGRMCFKMIBG-QCXCNERSSA-N 2 1 210.365 2.151 20 0 BEADMP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629546733 361428832 /nfs/dbraw/zinc/42/88/32/361428832.db2.gz XQDLRDILEOXGCU-UHIISALHSA-N 2 1 236.334 2.097 20 0 BEADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000629553370 361439139 /nfs/dbraw/zinc/43/91/39/361439139.db2.gz NWDHSLRWNRGWDR-OUCADQQQSA-N 2 1 248.370 2.139 20 0 BEADMP FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H]1CC[NH2+]C1 ZINC000629551422 361444049 /nfs/dbraw/zinc/44/40/49/361444049.db2.gz VMGODAFTHBRWHO-UTUOFQBUSA-N 2 1 244.329 2.248 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000629544038 361417594 /nfs/dbraw/zinc/41/75/94/361417594.db2.gz DAQVGCIEWFGFJB-AAVRWANBSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000629544040 361418159 /nfs/dbraw/zinc/41/81/59/361418159.db2.gz DAQVGCIEWFGFJB-YIYPIFLZSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)C[NH2+]1 ZINC000629542615 361419228 /nfs/dbraw/zinc/41/92/28/361419228.db2.gz HCVFLMLLGOYKLK-AAEUAGOBSA-N 2 1 222.376 2.439 20 0 BEADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CCCCC1(C)C ZINC000629581274 361470896 /nfs/dbraw/zinc/47/08/96/361470896.db2.gz UKZAQYHJFURDFN-ZDUSSCGKSA-N 2 1 242.407 2.110 20 0 BEADMP C/C=C\C[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000629595409 361482325 /nfs/dbraw/zinc/48/23/25/361482325.db2.gz OPHSVGUFXFFHMS-FGXVQYDJSA-N 2 1 222.376 2.274 20 0 BEADMP CCC(CC)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629595834 361484010 /nfs/dbraw/zinc/48/40/10/361484010.db2.gz REBBXVKSVWCSQG-OKILXGFUSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC000629593125 361485106 /nfs/dbraw/zinc/48/51/06/361485106.db2.gz DQLZPGVYVNHDNQ-JKJDWNRSSA-N 2 1 248.414 2.354 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H]2C(C)C)C1 ZINC000309966774 491158590 /nfs/dbraw/zinc/15/85/90/491158590.db2.gz NVEILGGYULBHNL-RDBSUJKOSA-N 2 1 224.392 2.352 20 0 BEADMP Cn1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC000629647772 361537579 /nfs/dbraw/zinc/53/75/79/361537579.db2.gz IMBSZMXUJOVZMT-AWEZNQCLSA-N 2 1 235.375 2.022 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+]CC1=Cc2ccccc2OC1 ZINC000629655258 361560312 /nfs/dbraw/zinc/56/03/12/361560312.db2.gz UITBYVICVUGNEJ-AWEZNQCLSA-N 2 1 246.354 2.035 20 0 BEADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(F)cc1 ZINC000629672779 361614754 /nfs/dbraw/zinc/61/47/54/361614754.db2.gz ZANKQWIWGQSNDO-COPLHBTASA-N 2 1 236.334 2.269 20 0 BEADMP C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000435378810 201264657 /nfs/dbraw/zinc/26/46/57/201264657.db2.gz KAPBGEUSQXXVEV-ZFWWWQNUSA-N 2 1 232.371 2.146 20 0 BEADMP CC[N@@H+](Cc1cccc(O)c1)[C@H]1CCC[NH2+]CC1 ZINC000435391528 201268558 /nfs/dbraw/zinc/26/85/58/201268558.db2.gz STYMBTUXGZBJPL-AWEZNQCLSA-N 2 1 248.370 2.356 20 0 BEADMP CCCCOCC[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435629572 201279400 /nfs/dbraw/zinc/27/94/00/201279400.db2.gz ULFPIWCRDUTBRZ-AWEZNQCLSA-N 2 1 242.407 2.267 20 0 BEADMP CC[N@@H+](CCC[NH2+]C)CCc1ccccc1 ZINC000435876248 201291396 /nfs/dbraw/zinc/29/13/96/201291396.db2.gz HPSQFIRZBNGAJQ-UHFFFAOYSA-N 2 1 220.360 2.161 20 0 BEADMP C[NH2+]CCC[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000435879358 201292778 /nfs/dbraw/zinc/29/27/78/201292778.db2.gz JPFYYYCEZVFKEA-UKRRQHHQSA-N 2 1 232.371 2.474 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC000435872705 201294207 /nfs/dbraw/zinc/29/42/07/201294207.db2.gz QCHQMIOIWIQONU-HNNXBMFYSA-N 2 1 248.370 2.442 20 0 BEADMP C[NH2+]CCC[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000435881569 201295195 /nfs/dbraw/zinc/29/51/95/201295195.db2.gz VMTOSGCLSAVZDG-AWEZNQCLSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC000436399463 201324194 /nfs/dbraw/zinc/32/41/94/201324194.db2.gz DVAOBDLXYDJOCC-WCQYABFASA-N 2 1 233.359 2.426 20 0 BEADMP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)CS1 ZINC000336491086 541341756 /nfs/dbraw/zinc/34/17/56/541341756.db2.gz HHSJVJFDGRFHCW-STQMWFEESA-N 2 1 242.432 2.200 20 0 BEADMP Cc1nc(N[C@@H]2CC[NH2+]C23CCC3)c(C)c(C)[nH+]1 ZINC000630520707 364204738 /nfs/dbraw/zinc/20/47/38/364204738.db2.gz GDNRZBXBNNVLPZ-GFCCVEGCSA-N 2 1 246.358 2.098 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]C2CCCCCC2)C[NH2+]1 ZINC000398951193 364278935 /nfs/dbraw/zinc/27/89/35/364278935.db2.gz DNDVHHONXSCBGE-WCQYABFASA-N 2 1 210.365 2.439 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000398958531 364280187 /nfs/dbraw/zinc/28/01/87/364280187.db2.gz KHFMBHIDFPGSFM-VOAKCMCISA-N 2 1 210.365 2.295 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC(C)(C)C2)C[NH2+]1 ZINC000398966810 364377137 /nfs/dbraw/zinc/37/71/37/364377137.db2.gz RSMHJGLQGWUPSO-WOPDTQHZSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@@H](Cc1cccs1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399025229 364727058 /nfs/dbraw/zinc/72/70/58/364727058.db2.gz JIVXCDHFZQWOCZ-GRYCIOLGSA-N 2 1 238.400 2.409 20 0 BEADMP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399029175 364728087 /nfs/dbraw/zinc/72/80/87/364728087.db2.gz IPULBXDGYWRREQ-NDBYEHHHSA-N 2 1 210.365 2.295 20 0 BEADMP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000573355063 364809186 /nfs/dbraw/zinc/80/91/86/364809186.db2.gz DQSKYCVVULKRIA-LBPRGKRZSA-N 2 1 236.359 2.264 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000573794981 364916128 /nfs/dbraw/zinc/91/61/28/364916128.db2.gz ODFJUYMIKXPQIT-CQSZACIVSA-N 2 1 233.359 2.131 20 0 BEADMP CC[C@H](C)[C@H](C)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000168266060 364892721 /nfs/dbraw/zinc/89/27/21/364892721.db2.gz VCBVNGZKHKZOOT-STQMWFEESA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)CCOC)C1 ZINC000446785324 541391339 /nfs/dbraw/zinc/39/13/39/541391339.db2.gz KYWFGCUGDAUKAW-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)CCOC)C1 ZINC000446785324 541391342 /nfs/dbraw/zinc/39/13/42/541391342.db2.gz KYWFGCUGDAUKAW-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)CCOC)C1 ZINC000446785324 541391345 /nfs/dbraw/zinc/39/13/45/541391345.db2.gz KYWFGCUGDAUKAW-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP CC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]cc2C)C1 ZINC000191981489 365005146 /nfs/dbraw/zinc/00/51/46/365005146.db2.gz SLQYGZNTRGAEBB-CYBMUJFWSA-N 2 1 233.359 2.168 20 0 BEADMP [NH3+]CC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000037712963 181397993 /nfs/dbraw/zinc/39/79/93/181397993.db2.gz WSIHFHHYIQOIDR-KBPBESRZSA-N 2 1 218.344 2.261 20 0 BEADMP c1cc2c(cccc2C[NH2+]CCC[NH+]2CCC2)[nH]1 ZINC000574650531 365112666 /nfs/dbraw/zinc/11/26/66/365112666.db2.gz CHKVTSULGJBXNZ-UHFFFAOYSA-N 2 1 243.354 2.353 20 0 BEADMP CC(C)[NH+]1CCC([NH2+]C2(CF)CCC2)CC1 ZINC000574876762 365165169 /nfs/dbraw/zinc/16/51/69/365165169.db2.gz ATRLRTJQWDTHNB-UHFFFAOYSA-N 2 1 228.355 2.341 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000574793026 365146311 /nfs/dbraw/zinc/14/63/11/365146311.db2.gz AJRHWVIPXWLCCF-CBBWQLFWSA-N 2 1 236.403 2.497 20 0 BEADMP [NH3+][C@H](C[NH2+][C@@H]1CCCNc2ccccc21)C1CC1 ZINC000579581005 366887178 /nfs/dbraw/zinc/88/71/78/366887178.db2.gz PAKQTYIDXMFCIQ-UKRRQHHQSA-N 2 1 245.370 2.260 20 0 BEADMP C[C@@H]([N@@H+](C)CCCn1ccnc1)C1(C)CC1 ZINC000182839131 366948672 /nfs/dbraw/zinc/94/86/72/366948672.db2.gz NSWHOHSDHSNSCP-GFCCVEGCSA-N 2 1 221.348 2.394 20 0 BEADMP C[N@H+](C/C=C\c1ccc(F)cc1F)CCC[NH3+] ZINC000579711715 366979467 /nfs/dbraw/zinc/97/94/67/366979467.db2.gz GGHVXACHMBSYGF-RQOWECAXSA-N 2 1 240.297 2.259 20 0 BEADMP CC1(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000579958582 367103640 /nfs/dbraw/zinc/10/36/40/367103640.db2.gz KMBWOKDXWBCQMK-QWHCGFSZSA-N 2 1 222.376 2.108 20 0 BEADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1noc2ccccc21 ZINC000579972791 367109321 /nfs/dbraw/zinc/10/93/21/367109321.db2.gz KEXAFHKXYBWCOM-CMPLNLGQSA-N 2 1 245.326 2.045 20 0 BEADMP C[C@@H]1[C@@H](C)CC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000380669952 367276502 /nfs/dbraw/zinc/27/65/02/367276502.db2.gz KXHAGPLNWSLCBW-UMSGYPCISA-N 2 1 210.365 2.105 20 0 BEADMP Cc1cncc([C@H](C)[NH2+]CCC[NH2+]C(C)C)c1 ZINC000581245534 367306533 /nfs/dbraw/zinc/30/65/33/367306533.db2.gz HBZFIKCFWIEWMT-ZDUSSCGKSA-N 2 1 235.375 2.429 20 0 BEADMP CC[C@@H]1CCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000381358013 367388078 /nfs/dbraw/zinc/38/80/78/367388078.db2.gz DTBPOCUVBJMZJG-ZIAGYGMSSA-N 2 1 222.376 2.417 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000381833841 367461206 /nfs/dbraw/zinc/46/12/06/367461206.db2.gz GLFNUFFZEGEUEW-UTUOFQBUSA-N 2 1 246.345 2.352 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000381833234 367461231 /nfs/dbraw/zinc/46/12/31/367461231.db2.gz GLFNUFFZEGEUEW-GRYCIOLGSA-N 2 1 246.345 2.352 20 0 BEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C/C=C\c1ccccc1 ZINC000382670045 367553282 /nfs/dbraw/zinc/55/32/82/367553282.db2.gz FLAIQOKFGJKICM-DBVFPWQWSA-N 2 1 230.355 2.369 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000382789849 367557583 /nfs/dbraw/zinc/55/75/83/367557583.db2.gz OJCXLXBSJPKAGI-OLZOCXBDSA-N 2 1 210.365 2.297 20 0 BEADMP CC(C)OCCC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000382801174 367559364 /nfs/dbraw/zinc/55/93/64/367559364.db2.gz KMKNUFGOAPBHKU-ZDUSSCGKSA-N 2 1 230.396 2.107 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccccc3C2)C[NH2+]1 ZINC000399129538 367598005 /nfs/dbraw/zinc/59/80/05/367598005.db2.gz VWKPTLCPTCSXEC-DAXOMENPSA-N 2 1 244.382 2.274 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000383149440 367601016 /nfs/dbraw/zinc/60/10/16/367601016.db2.gz ODGSBXOOELDCEW-CKYFFXLPSA-N 2 1 246.345 2.350 20 0 BEADMP C[C@@H](CCC1CC1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399135659 367646691 /nfs/dbraw/zinc/64/66/91/367646691.db2.gz QPCCXMUIGAUDIN-MDZLAQPJSA-N 2 1 210.365 2.295 20 0 BEADMP CC[C@H]1[C@@H](C)CC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000384009028 367667758 /nfs/dbraw/zinc/66/77/58/367667758.db2.gz KAGFZARRBRTRCG-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H]1[C@@H](C)CC[N@H+]1CC[NH2+]C(C)(C)C ZINC000384009028 367667762 /nfs/dbraw/zinc/66/77/62/367667762.db2.gz KAGFZARRBRTRCG-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H]1[C@H](C)CC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000384106596 367672283 /nfs/dbraw/zinc/67/22/83/367672283.db2.gz DRPMDANYDMCDFE-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP CC/C=C\C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000384827167 367737916 /nfs/dbraw/zinc/73/79/16/367737916.db2.gz GFWPSUXIJOLDGR-ARJAWSKDSA-N 2 1 208.349 2.169 20 0 BEADMP C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CCCc1cncn1C ZINC000581734852 367798089 /nfs/dbraw/zinc/79/80/89/367798089.db2.gz YVILPUWFWRHLLO-FRRDWIJNSA-N 2 1 235.375 2.329 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2C[C@H]([NH3+])C[C@@H]2C)c1 ZINC000385158296 367803376 /nfs/dbraw/zinc/80/33/76/367803376.db2.gz AOPMBXAGYPSDHQ-GXTWGEPZSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2C[C@H]([NH3+])C[C@@H]2C)c1 ZINC000385158296 367803383 /nfs/dbraw/zinc/80/33/83/367803383.db2.gz AOPMBXAGYPSDHQ-GXTWGEPZSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000385164061 367803678 /nfs/dbraw/zinc/80/36/78/367803678.db2.gz CIDIONYEEUCZBQ-CHWSQXEVSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000385164061 367803686 /nfs/dbraw/zinc/80/36/86/367803686.db2.gz CIDIONYEEUCZBQ-CHWSQXEVSA-N 2 1 218.344 2.225 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000385373270 367823535 /nfs/dbraw/zinc/82/35/35/367823535.db2.gz LNRKSYFCUZJARV-RQJABVFESA-N 2 1 222.376 2.106 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CCSCC[C@@H]2C)CC[NH2+]1 ZINC000385411260 367826639 /nfs/dbraw/zinc/82/66/39/367826639.db2.gz UVBSIKWXLRAHRU-AGIUHOORSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@H](CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000385409971 367826727 /nfs/dbraw/zinc/82/67/27/367826727.db2.gz YTYPXBYWUQUZCC-BMFZPTHFSA-N 2 1 244.382 2.474 20 0 BEADMP C[C@H](CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000385409971 367826734 /nfs/dbraw/zinc/82/67/34/367826734.db2.gz YTYPXBYWUQUZCC-BMFZPTHFSA-N 2 1 244.382 2.474 20 0 BEADMP C[C@H](C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000385410145 367826794 /nfs/dbraw/zinc/82/67/94/367826794.db2.gz YUYBDAMMQFDELY-YUELXQCFSA-N 2 1 230.355 2.084 20 0 BEADMP C[C@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000385410145 367826798 /nfs/dbraw/zinc/82/67/98/367826798.db2.gz YUYBDAMMQFDELY-YUELXQCFSA-N 2 1 230.355 2.084 20 0 BEADMP CC[N@H+](CC[NH2+]C(C)(C)C)CCC1CC1 ZINC000385490687 367835622 /nfs/dbraw/zinc/83/56/22/367835622.db2.gz FEWLUSMXAJJJIY-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP CC[N@@H+](CC[NH2+]C(C)(C)C)CCC1CC1 ZINC000385490687 367835629 /nfs/dbraw/zinc/83/56/29/367835629.db2.gz FEWLUSMXAJJJIY-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2[NH2+]CCCC2(C)C)[C@H]1C ZINC000386192126 367927155 /nfs/dbraw/zinc/92/71/55/367927155.db2.gz DPIMOTBVENEMIT-MROQNXINSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2[NH2+]CCCC2(C)C)[C@@H]1C ZINC000386192125 367927769 /nfs/dbraw/zinc/92/77/69/367927769.db2.gz DPIMOTBVENEMIT-FVCCEPFGSA-N 2 1 224.392 2.399 20 0 BEADMP CSC1(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000386539645 367988939 /nfs/dbraw/zinc/98/89/39/367988939.db2.gz CXSUGOFMJSYPLE-WDEREUQCSA-N 2 1 228.405 2.002 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCCS1)[C@@H]1CCCC[NH2+]1 ZINC000386588906 367998998 /nfs/dbraw/zinc/99/89/98/367998998.db2.gz QUWKHNBHAHUXKQ-SRVKXCTJSA-N 2 1 228.405 2.002 20 0 BEADMP CCC[N@H+](CC(F)F)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000387096572 368050107 /nfs/dbraw/zinc/05/01/07/368050107.db2.gz WIQKVFIIFDTTBP-WDEREUQCSA-N 2 1 234.334 2.352 20 0 BEADMP CCC[N@@H+](CC(F)F)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000387096572 368050111 /nfs/dbraw/zinc/05/01/11/368050111.db2.gz WIQKVFIIFDTTBP-WDEREUQCSA-N 2 1 234.334 2.352 20 0 BEADMP CC(C)[N@H+](CC(F)F)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000387098874 368050567 /nfs/dbraw/zinc/05/05/67/368050567.db2.gz WTTHSWRWGOYQOD-QWRGUYRKSA-N 2 1 234.334 2.350 20 0 BEADMP CC(C)[N@@H+](CC(F)F)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000387098874 368050574 /nfs/dbraw/zinc/05/05/74/368050574.db2.gz WTTHSWRWGOYQOD-QWRGUYRKSA-N 2 1 234.334 2.350 20 0 BEADMP [NH3+]CCC[N@@H+](CC1CCCCC1)C1CC1 ZINC000036732056 368268031 /nfs/dbraw/zinc/26/80/31/368268031.db2.gz LOLVEVOLHBFIPH-UHFFFAOYSA-N 2 1 210.365 2.380 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c(C)n1 ZINC000631821614 368973161 /nfs/dbraw/zinc/97/31/61/368973161.db2.gz DGOPOYZBPSHHRH-XHDPSFHLSA-N 2 1 247.386 2.176 20 0 BEADMP C[C@](C[NH3+])([NH2+]C[C@H]1CCC(F)(F)C1)C1CC1 ZINC000631822370 368977508 /nfs/dbraw/zinc/97/75/08/368977508.db2.gz APVYVOMXJDYLHQ-GXSJLCMTSA-N 2 1 232.318 2.139 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@@](C)(C[NH3+])C2CC2)c(C)n1 ZINC000631823204 368981977 /nfs/dbraw/zinc/98/19/77/368981977.db2.gz YRGJKZIQBMSHQD-HNNXBMFYSA-N 2 1 247.386 2.224 20 0 BEADMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000623657109 368998121 /nfs/dbraw/zinc/99/81/21/368998121.db2.gz JWUZLTPSELDXBW-QWHCGFSZSA-N 2 1 242.432 2.061 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]C1CC2(CCC2)C1 ZINC000459385003 203272112 /nfs/dbraw/zinc/27/21/12/203272112.db2.gz FAHGLFQDHXHOLJ-UHFFFAOYSA-N 2 1 219.332 2.114 20 0 BEADMP Cc1ccccc1CCC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631861232 369470922 /nfs/dbraw/zinc/47/09/22/369470922.db2.gz YCUAASMAVBSOGW-ZFWWWQNUSA-N 2 1 232.371 2.349 20 0 BEADMP Cc1ccccc1CCC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631861232 369470926 /nfs/dbraw/zinc/47/09/26/369470926.db2.gz YCUAASMAVBSOGW-ZFWWWQNUSA-N 2 1 232.371 2.349 20 0 BEADMP Cc1ccccc1CCC[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631861231 369471173 /nfs/dbraw/zinc/47/11/73/369471173.db2.gz YCUAASMAVBSOGW-UKRRQHHQSA-N 2 1 232.371 2.349 20 0 BEADMP Cc1ccccc1CCC[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631861231 369471177 /nfs/dbraw/zinc/47/11/77/369471177.db2.gz YCUAASMAVBSOGW-UKRRQHHQSA-N 2 1 232.371 2.349 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCCC2)C1 ZINC000459738680 203349318 /nfs/dbraw/zinc/34/93/18/203349318.db2.gz SCQVSLFKVWWFHP-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP CCC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459742363 203350842 /nfs/dbraw/zinc/35/08/42/203350842.db2.gz VVIVBYGCKLAKNH-OLZOCXBDSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@@H](C[NH2+][C@H](C)C1CC1)[NH+]1CCCC1 ZINC000165256036 203382456 /nfs/dbraw/zinc/38/24/56/203382456.db2.gz DINJFUPNAAJJNT-YPMHNXCESA-N 2 1 210.365 2.249 20 0 BEADMP C(C[N@@H+]1C[C@@H]2C[C@H]1CS2)C[NH+]1CCCCC1 ZINC000459784814 203367777 /nfs/dbraw/zinc/36/77/77/203367777.db2.gz AVMFGJIZFKGDPE-STQMWFEESA-N 2 1 240.416 2.052 20 0 BEADMP C(C[N@H+]1C[C@@H]2C[C@H]1CS2)C[NH+]1CCCCC1 ZINC000459784814 203367778 /nfs/dbraw/zinc/36/77/78/203367778.db2.gz AVMFGJIZFKGDPE-STQMWFEESA-N 2 1 240.416 2.052 20 0 BEADMP Cc1ccncc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459787781 203369584 /nfs/dbraw/zinc/36/95/84/203369584.db2.gz PYZXKVVUTDDLQU-AWEZNQCLSA-N 2 1 247.386 2.212 20 0 BEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CCC1 ZINC000459787787 203371339 /nfs/dbraw/zinc/37/13/39/203371339.db2.gz PZDWDJMEJQYKSN-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCC1(C)C ZINC000314916695 326311087 /nfs/dbraw/zinc/31/10/87/326311087.db2.gz OXYMKHKFDLWUII-LBPRGKRZSA-N 2 1 221.348 2.131 20 0 BEADMP CCSCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252719757 370119504 /nfs/dbraw/zinc/11/95/04/370119504.db2.gz IVAVKVLVWCGJDV-CHWSQXEVSA-N 2 1 242.432 2.204 20 0 BEADMP COc1cccc([C@H](C)[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000252763351 370125349 /nfs/dbraw/zinc/12/53/49/370125349.db2.gz HLUMIFWZKIFFGL-SGMGOOAPSA-N 2 1 248.370 2.425 20 0 BEADMP CCSCC[C@@H](C)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000309635124 370237629 /nfs/dbraw/zinc/23/76/29/370237629.db2.gz MBNKKXNVLFCJNE-NEPJUHHUSA-N 2 1 230.421 2.059 20 0 BEADMP CC1CC(C[NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC000621384658 370328129 /nfs/dbraw/zinc/32/81/29/370328129.db2.gz OLFKIUDKGWOSSR-UHFFFAOYSA-N 2 1 233.359 2.283 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CC2(F)F)[C@@H](C)C1 ZINC000621734731 370491747 /nfs/dbraw/zinc/49/17/47/370491747.db2.gz VBKKYYBHNVFCTK-SRVKXCTJSA-N 2 1 246.345 2.352 20 0 BEADMP CCC(CC)C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621784132 370536528 /nfs/dbraw/zinc/53/65/28/370536528.db2.gz KIIBIYMXVHTOAC-QWHCGFSZSA-N 2 1 210.365 2.236 20 0 BEADMP Cc1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000621777724 370526903 /nfs/dbraw/zinc/52/69/03/370526903.db2.gz FRNNKCHATUYILM-HUUCEWRRSA-N 2 1 230.355 2.308 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000621777724 370526905 /nfs/dbraw/zinc/52/69/05/370526905.db2.gz FRNNKCHATUYILM-HUUCEWRRSA-N 2 1 230.355 2.308 20 0 BEADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCc1ccccc1)C2 ZINC000621779043 370528446 /nfs/dbraw/zinc/52/84/46/370528446.db2.gz YXGQNIDZNHJHRW-HUUCEWRRSA-N 2 1 230.355 2.042 20 0 BEADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCc1ccccc1)C2 ZINC000621779044 370528990 /nfs/dbraw/zinc/52/89/90/370528990.db2.gz YXGQNIDZNHJHRW-LSDHHAIUSA-N 2 1 230.355 2.042 20 0 BEADMP Cc1ccc(CC[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000621782846 370532597 /nfs/dbraw/zinc/53/25/97/370532597.db2.gz TVGOQMRIPVEGAX-JKSUJKDBSA-N 2 1 244.382 2.351 20 0 BEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCCC1CCC1)C2 ZINC000621783466 370534444 /nfs/dbraw/zinc/53/44/44/370534444.db2.gz BXRYMNLCFPGMPP-KGLIPLIRSA-N 2 1 222.376 2.380 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621784433 370535456 /nfs/dbraw/zinc/53/54/56/370535456.db2.gz OVRSSUCOFLPBTB-NTZNESFSSA-N 2 1 246.345 2.481 20 0 BEADMP CCC(CC)C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621784130 370535618 /nfs/dbraw/zinc/53/56/18/370535618.db2.gz KIIBIYMXVHTOAC-CHWSQXEVSA-N 2 1 210.365 2.236 20 0 BEADMP C1=CCC(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000631890509 371046698 /nfs/dbraw/zinc/04/66/98/371046698.db2.gz QBFAZOGMNLVBMH-KGLIPLIRSA-N 2 1 220.360 2.027 20 0 BEADMP C1=CCC(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000631890509 371046703 /nfs/dbraw/zinc/04/67/03/371046703.db2.gz QBFAZOGMNLVBMH-KGLIPLIRSA-N 2 1 220.360 2.027 20 0 BEADMP CC[N@H+](CC[NH2+][C@H]1CCC[C@H]2C[C@H]21)C(C)C ZINC000378661497 371012600 /nfs/dbraw/zinc/01/26/00/371012600.db2.gz BTTNVJFPQDBAKP-MJBXVCDLSA-N 2 1 224.392 2.495 20 0 BEADMP CC[N@@H+](CC[NH2+][C@H]1CCC[C@H]2C[C@H]21)C(C)C ZINC000378661497 371012604 /nfs/dbraw/zinc/01/26/04/371012604.db2.gz BTTNVJFPQDBAKP-MJBXVCDLSA-N 2 1 224.392 2.495 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2F)[C@@H](C)C1 ZINC000378761551 371018848 /nfs/dbraw/zinc/01/88/48/371018848.db2.gz KBFBNRPZMZVMDU-RNJOBUHISA-N 2 1 228.355 2.197 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2F)[C@@H](C)C1 ZINC000378761551 371018856 /nfs/dbraw/zinc/01/88/56/371018856.db2.gz KBFBNRPZMZVMDU-RNJOBUHISA-N 2 1 228.355 2.197 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC000623740309 371074385 /nfs/dbraw/zinc/07/43/85/371074385.db2.gz SFICHMWPBILPDP-DABQJJPHSA-N 2 1 222.376 2.106 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000623858809 371129233 /nfs/dbraw/zinc/12/92/33/371129233.db2.gz WOMFMHBBQFCXKY-UONOGXRCSA-N 2 1 242.407 2.264 20 0 BEADMP CCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120036 371320108 /nfs/dbraw/zinc/32/01/08/371320108.db2.gz QEFGPVZCTRNONB-STQMWFEESA-N 2 1 212.381 2.497 20 0 BEADMP COCCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120524 371321536 /nfs/dbraw/zinc/32/15/36/371321536.db2.gz BBUYNTLIEVKNJV-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CCC1 ZINC000624121368 371323035 /nfs/dbraw/zinc/32/30/35/371323035.db2.gz UTCUETFJAMOVIR-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccccn1 ZINC000624121863 371323378 /nfs/dbraw/zinc/32/33/78/371323378.db2.gz DZENJSXNZAUYCC-KBPBESRZSA-N 2 1 247.386 2.464 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccn1 ZINC000624121863 371323380 /nfs/dbraw/zinc/32/33/80/371323380.db2.gz DZENJSXNZAUYCC-KBPBESRZSA-N 2 1 247.386 2.464 20 0 BEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000624123895 371324952 /nfs/dbraw/zinc/32/49/52/371324952.db2.gz SNBGIOCXBXMITM-XQLPTFJDSA-N 2 1 236.403 2.497 20 0 BEADMP C1C[N@@H+]2CCCC[C@@H]2[C@@H]1[NH2+]C1CCSCC1 ZINC000217698596 371998540 /nfs/dbraw/zinc/99/85/40/371998540.db2.gz ZEYQMBAQXSVVBQ-CHWSQXEVSA-N 2 1 240.416 2.098 20 0 BEADMP C1C[N@H+]2CCCC[C@@H]2[C@@H]1[NH2+]C1CCSCC1 ZINC000217698596 371998547 /nfs/dbraw/zinc/99/85/47/371998547.db2.gz ZEYQMBAQXSVVBQ-CHWSQXEVSA-N 2 1 240.416 2.098 20 0 BEADMP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000631260842 372267326 /nfs/dbraw/zinc/26/73/26/372267326.db2.gz DMTPZAURYGJJCL-LMLFDSFASA-N 2 1 248.292 2.154 20 0 BEADMP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000631260842 372267331 /nfs/dbraw/zinc/26/73/31/372267331.db2.gz DMTPZAURYGJJCL-LMLFDSFASA-N 2 1 248.292 2.154 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@@](C)(C[NH3+])C(C)C)c(C)n1 ZINC000631822984 372600747 /nfs/dbraw/zinc/60/07/47/372600747.db2.gz TUKAAGSXJDFZCK-HNNXBMFYSA-N 2 1 249.402 2.470 20 0 BEADMP [NH3+][C@H]1CCCCC[N@@H+](CCCCCF)C1 ZINC000631834594 372621270 /nfs/dbraw/zinc/62/12/70/372621270.db2.gz BDAGNCNJBUNECL-LBPRGKRZSA-N 2 1 216.344 2.330 20 0 BEADMP CCc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631837949 372628752 /nfs/dbraw/zinc/62/87/52/372628752.db2.gz HMWBIJGXNDHXGY-IUODEOHRSA-N 2 1 232.371 2.276 20 0 BEADMP Cc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(C)s1 ZINC000631838400 372632041 /nfs/dbraw/zinc/63/20/41/372632041.db2.gz NPRBZFSBAVAZSQ-TVQRCGJNSA-N 2 1 238.400 2.392 20 0 BEADMP c1ccc(CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887132 372681144 /nfs/dbraw/zinc/68/11/44/372681144.db2.gz OCGUHYSEZDXCRR-CVEARBPZSA-N 2 1 244.382 2.303 20 0 BEADMP Fc1cccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631886891 372681448 /nfs/dbraw/zinc/68/14/48/372681448.db2.gz MWYLHLLQUTUYFV-HIFRSBDPSA-N 2 1 248.345 2.400 20 0 BEADMP Fc1cccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631886891 372681456 /nfs/dbraw/zinc/68/14/56/372681456.db2.gz MWYLHLLQUTUYFV-HIFRSBDPSA-N 2 1 248.345 2.400 20 0 BEADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000181242728 206010297 /nfs/dbraw/zinc/01/02/97/206010297.db2.gz VQNWVSZGRLDZCM-VXGBXAGGSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429035629 206060864 /nfs/dbraw/zinc/06/08/64/206060864.db2.gz NMMTVYBJHPGRNH-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CC(C)CCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429035629 206060867 /nfs/dbraw/zinc/06/08/67/206060867.db2.gz NMMTVYBJHPGRNH-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CC(C)CCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429035629 206060871 /nfs/dbraw/zinc/06/08/71/206060871.db2.gz NMMTVYBJHPGRNH-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)C1CC1 ZINC000309231547 169125477 /nfs/dbraw/zinc/12/54/77/169125477.db2.gz WUEQTVNHZFHWSH-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)C1CC1 ZINC000309231547 169125478 /nfs/dbraw/zinc/12/54/78/169125478.db2.gz WUEQTVNHZFHWSH-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000353487278 169127757 /nfs/dbraw/zinc/12/77/57/169127757.db2.gz DQSDHUIOTFLKBZ-MELADBBJSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000353487278 169127758 /nfs/dbraw/zinc/12/77/58/169127758.db2.gz DQSDHUIOTFLKBZ-MELADBBJSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@@H+](CC1CC1)C[C@H]1CCC[NH2+]C1 ZINC000042491163 169137935 /nfs/dbraw/zinc/13/79/35/169137935.db2.gz BRTHZIPZORWRHM-ZDUSSCGKSA-N 2 1 210.365 2.108 20 0 BEADMP CCC[N@@H+](Cc1cccc(O)c1)C1CC[NH2+]CC1 ZINC000094681893 169176950 /nfs/dbraw/zinc/17/69/50/169176950.db2.gz GMPGBZNTCFPRAP-UHFFFAOYSA-N 2 1 248.370 2.356 20 0 BEADMP CCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000051918959 169170160 /nfs/dbraw/zinc/17/01/60/169170160.db2.gz KBNJLVLPCHUVST-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP CCC[NH+]1CCC([N@@H+](C)CCOC(C)C)CC1 ZINC000109788326 169186997 /nfs/dbraw/zinc/18/69/97/169186997.db2.gz BHZBISXGZKHIPB-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP c1c[nH]c([C@@H]2CCC[N@@H+]2CCCn2ccnc2)c1 ZINC000271791803 183326498 /nfs/dbraw/zinc/32/64/98/183326498.db2.gz JDWLWLIINNHWDF-AWEZNQCLSA-N 2 1 244.342 2.438 20 0 BEADMP c1c[nH]c([C@@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000267406211 183327959 /nfs/dbraw/zinc/32/79/59/183327959.db2.gz HEWXFXCXZPYXBX-SNVBAGLBSA-N 2 1 248.355 2.246 20 0 BEADMP c1c[nH+]c([C@@H]2CCCN(Cc3cscn3)C2)[nH]1 ZINC000267406211 183327962 /nfs/dbraw/zinc/32/79/62/183327962.db2.gz HEWXFXCXZPYXBX-SNVBAGLBSA-N 2 1 248.355 2.246 20 0 BEADMP c1c[nH]c([C@@H]2CCC[N@H+](CCOC3CCC3)C2)n1 ZINC000376521857 183328137 /nfs/dbraw/zinc/32/81/37/183328137.db2.gz AELSZZUSJOHXTO-GFCCVEGCSA-N 2 1 249.358 2.158 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CC(C)(C)COC ZINC000353129291 169199691 /nfs/dbraw/zinc/19/96/91/169199691.db2.gz UBRZINVIQHLSRY-ZDUSSCGKSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CC(C)(C)COC ZINC000353129291 169199692 /nfs/dbraw/zinc/19/96/92/169199692.db2.gz UBRZINVIQHLSRY-ZDUSSCGKSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@@H+](Cc1ccncc1)C1CC[NH2+]CC1 ZINC000037538939 169178477 /nfs/dbraw/zinc/17/84/77/169178477.db2.gz CUAMDJUJTRGQIC-UHFFFAOYSA-N 2 1 233.359 2.046 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)COC(C)C)C1 ZINC000337339612 169206225 /nfs/dbraw/zinc/20/62/25/169206225.db2.gz OSUIRJSHLPWNBR-KBPBESRZSA-N 2 1 242.407 2.121 20 0 BEADMP c1cc([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)ccn1 ZINC000132295107 183363895 /nfs/dbraw/zinc/36/38/95/183363895.db2.gz UKBGIKFQLIMVDL-OAHLLOKOSA-N 2 1 245.370 2.218 20 0 BEADMP c1ccc(CC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000082552054 183391835 /nfs/dbraw/zinc/39/18/35/183391835.db2.gz RUJUYKHETAAQAZ-UHFFFAOYSA-N 2 1 244.382 2.305 20 0 BEADMP CCCOc1cccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000052921814 169324647 /nfs/dbraw/zinc/32/46/47/169324647.db2.gz JNSAWJJWYGSGPY-AWEZNQCLSA-N 2 1 248.370 2.256 20 0 BEADMP CCC[N@H+](CC)CC[NH2+]C[C@@H]1CCSC1 ZINC000226383911 134364843 /nfs/dbraw/zinc/36/48/43/134364843.db2.gz VXAHVVBULYXJSZ-LBPRGKRZSA-N 2 1 230.421 2.061 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+]C[C@@H]1CCSC1 ZINC000226383911 134364844 /nfs/dbraw/zinc/36/48/44/134364844.db2.gz VXAHVVBULYXJSZ-LBPRGKRZSA-N 2 1 230.421 2.061 20 0 BEADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccsc1 ZINC000069720684 383845693 /nfs/dbraw/zinc/84/56/93/383845693.db2.gz PPTAZJQTVZHGOA-GFCCVEGCSA-N 2 1 224.373 2.451 20 0 BEADMP CC1(C)CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000069793371 383846176 /nfs/dbraw/zinc/84/61/76/383846176.db2.gz JFSSCGNQBVCDDO-LBPRGKRZSA-N 2 1 210.365 2.108 20 0 BEADMP C[NH2+][C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000070585203 383938452 /nfs/dbraw/zinc/93/84/52/383938452.db2.gz WYJHICVHZBTMOF-ZDUSSCGKSA-N 2 1 210.365 2.251 20 0 BEADMP C[NH2+][C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000070585203 383938456 /nfs/dbraw/zinc/93/84/56/383938456.db2.gz WYJHICVHZBTMOF-ZDUSSCGKSA-N 2 1 210.365 2.251 20 0 BEADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@@H](C)COC ZINC000569410644 384000950 /nfs/dbraw/zinc/00/09/50/384000950.db2.gz DSPGDWMGKZMNGC-CQSZACIVSA-N 2 1 242.407 2.077 20 0 BEADMP C[C@H](Cc1cccs1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000643545149 384008341 /nfs/dbraw/zinc/00/83/41/384008341.db2.gz FUIVVCCBSVDPHV-VXGBXAGGSA-N 2 1 238.400 2.411 20 0 BEADMP Cc1n[nH]cc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546499 384014360 /nfs/dbraw/zinc/01/43/60/384014360.db2.gz PLXCYQDXWAHPKO-PWSUYJOCSA-N 2 1 248.374 2.043 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cccnc1 ZINC000643547249 384033827 /nfs/dbraw/zinc/03/38/27/384033827.db2.gz BVWUSYHRGPYOLD-TZMCWYRMSA-N 2 1 245.370 2.407 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccncc1 ZINC000643548530 384036192 /nfs/dbraw/zinc/03/61/92/384036192.db2.gz QLVRAVQOEPDDRR-TZMCWYRMSA-N 2 1 245.370 2.407 20 0 BEADMP CCC[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)OC ZINC000449379259 384078357 /nfs/dbraw/zinc/07/83/57/384078357.db2.gz SIXIEUORTKRGRO-MCIONIFRSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]CC1CC1 ZINC000449383166 384111300 /nfs/dbraw/zinc/11/13/00/384111300.db2.gz FKKZOBPWHIIFAW-AWEZNQCLSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H](C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1)c1ccccc1 ZINC000235327755 384136191 /nfs/dbraw/zinc/13/61/91/384136191.db2.gz GPMHLKIBQHNTNL-BZPMIXESSA-N 2 1 218.344 2.069 20 0 BEADMP C[C@H](C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1)c1ccccc1 ZINC000235327755 384136195 /nfs/dbraw/zinc/13/61/95/384136195.db2.gz GPMHLKIBQHNTNL-BZPMIXESSA-N 2 1 218.344 2.069 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000163207928 384164493 /nfs/dbraw/zinc/16/44/93/384164493.db2.gz QYEKOMXKVMAXSJ-MWLCHTKSSA-N 2 1 240.297 2.134 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000163207928 384164496 /nfs/dbraw/zinc/16/44/96/384164496.db2.gz QYEKOMXKVMAXSJ-MWLCHTKSSA-N 2 1 240.297 2.134 20 0 BEADMP Cc1ccc(C)c(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000572616821 384168955 /nfs/dbraw/zinc/16/89/55/384168955.db2.gz FSWGUORUXLEIAA-UHFFFAOYSA-N 2 1 232.371 2.489 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)CC[N@H+]1C ZINC000309661083 384194772 /nfs/dbraw/zinc/19/47/72/384194772.db2.gz AWEVJURBBLLHBG-CABNGKKXSA-N 2 1 222.376 2.105 20 0 BEADMP C[C@H]([NH2+]CCCc1cccs1)[C@@H]1CCC[NH2+]1 ZINC000569566637 384255182 /nfs/dbraw/zinc/25/51/82/384255182.db2.gz FRVFUVSHFSAOIW-AAEUAGOBSA-N 2 1 238.400 2.411 20 0 BEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(O)c2)C1 ZINC000093770567 384268071 /nfs/dbraw/zinc/26/80/71/384268071.db2.gz DYDDKLUQABVUAT-AWEZNQCLSA-N 2 1 248.370 2.166 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(O)c2)C1 ZINC000093770567 384268078 /nfs/dbraw/zinc/26/80/78/384268078.db2.gz DYDDKLUQABVUAT-AWEZNQCLSA-N 2 1 248.370 2.166 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(O)c2)C1 ZINC000093770567 384268086 /nfs/dbraw/zinc/26/80/86/384268086.db2.gz DYDDKLUQABVUAT-AWEZNQCLSA-N 2 1 248.370 2.166 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(O)c2)C1 ZINC000093770567 384268090 /nfs/dbraw/zinc/26/80/90/384268090.db2.gz DYDDKLUQABVUAT-AWEZNQCLSA-N 2 1 248.370 2.166 20 0 BEADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)C1CC1 ZINC000083055495 384278291 /nfs/dbraw/zinc/27/82/91/384278291.db2.gz UFFBWFOMBNABCF-DGCLKSJQSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)(C)[NH2+]CC[NH2+]CCc1ccc(F)cc1 ZINC000228727690 384315172 /nfs/dbraw/zinc/31/51/72/384315172.db2.gz NLMRCQRJEISMOF-UHFFFAOYSA-N 2 1 238.350 2.346 20 0 BEADMP CCC[C@H](C)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000300055977 384283332 /nfs/dbraw/zinc/28/33/32/384283332.db2.gz LWNBUPILRFOOJA-AGIUHOORSA-N 2 1 212.381 2.495 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C)C1 ZINC000083390556 384295033 /nfs/dbraw/zinc/29/50/33/384295033.db2.gz JFCSKVSNNWQWRT-YNEHKIRRSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H](CNc1[nH]c2ccccc2[nH+]1)C[NH+](C)C ZINC000291662428 384300739 /nfs/dbraw/zinc/30/07/39/384300739.db2.gz CWLLFTBTMNYVCK-SNVBAGLBSA-N 2 1 232.331 2.173 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CO1 ZINC000401975653 384354808 /nfs/dbraw/zinc/35/48/08/384354808.db2.gz TYHVZPFCXWSQAL-MJBXVCDLSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[C@H](C)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000300215117 384332294 /nfs/dbraw/zinc/33/22/94/384332294.db2.gz KPBLXDDUQMBHBY-STQMWFEESA-N 2 1 212.381 2.497 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000229060385 384416015 /nfs/dbraw/zinc/41/60/15/384416015.db2.gz GPUHAFLUPPMMJQ-VXGBXAGGSA-N 2 1 236.334 2.303 20 0 BEADMP CCCC[C@@H](COC)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158198979 384420578 /nfs/dbraw/zinc/42/05/78/384420578.db2.gz WWMVQRXHQORWGW-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP CC(C)C1([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000334195353 384388332 /nfs/dbraw/zinc/38/83/32/384388332.db2.gz KFACJIPGTSLVCL-STQMWFEESA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000449433341 384449652 /nfs/dbraw/zinc/44/96/52/384449652.db2.gz LYNQOLZSQUNUKU-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@]1(C[N@H+]2CCC[C@H]2c2ccccn2)CC[NH2+]C1 ZINC000647513934 384428281 /nfs/dbraw/zinc/42/82/81/384428281.db2.gz VFSUKTQOSUAQAF-LSDHHAIUSA-N 2 1 245.370 2.218 20 0 BEADMP C[N@@H+](CCC[NH+]1CCCC1)CC1CCC1 ZINC000161799097 384527319 /nfs/dbraw/zinc/52/73/19/384527319.db2.gz PFPGZLYJMLXIAL-UHFFFAOYSA-N 2 1 210.365 2.204 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000172197685 384549156 /nfs/dbraw/zinc/54/91/56/384549156.db2.gz LGNCCCZDXBVFCK-HNNXBMFYSA-N 2 1 232.371 2.379 20 0 BEADMP CC[C@@H]1CCCC[C@H]1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000401436753 384550264 /nfs/dbraw/zinc/55/02/64/384550264.db2.gz JZYDKHNXRJFDNF-BARDWOONSA-N 2 1 236.403 2.354 20 0 BEADMP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000449082836 384555134 /nfs/dbraw/zinc/55/51/34/384555134.db2.gz QEQXDSBBTJBWJZ-YUELXQCFSA-N 2 1 248.370 2.427 20 0 BEADMP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000449082835 384556614 /nfs/dbraw/zinc/55/66/14/384556614.db2.gz QEQXDSBBTJBWJZ-VHDGCEQUSA-N 2 1 248.370 2.427 20 0 BEADMP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000449082835 384556624 /nfs/dbraw/zinc/55/66/24/384556624.db2.gz QEQXDSBBTJBWJZ-VHDGCEQUSA-N 2 1 248.370 2.427 20 0 BEADMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccnc1 ZINC000019905775 384556889 /nfs/dbraw/zinc/55/68/89/384556889.db2.gz OCPWLWRHJVJARF-LBPRGKRZSA-N 2 1 235.375 2.320 20 0 BEADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1cccs1 ZINC000019958519 384563412 /nfs/dbraw/zinc/56/34/12/384563412.db2.gz SGKXPXZKHPMGKS-SNVBAGLBSA-N 2 1 212.362 2.350 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647181546 384561267 /nfs/dbraw/zinc/56/12/67/384561267.db2.gz GOPHUMKFHGWHGN-LLVKDONJSA-N 2 1 246.345 2.496 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000306049646 384570496 /nfs/dbraw/zinc/57/04/96/384570496.db2.gz VVGLVEWRQQBXLB-NEPJUHHUSA-N 2 1 246.345 2.353 20 0 BEADMP CC[C@](C)(C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)OC ZINC000319894246 384572678 /nfs/dbraw/zinc/57/26/78/384572678.db2.gz PJQSRSISNFXFPI-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000309736798 384572656 /nfs/dbraw/zinc/57/26/56/384572656.db2.gz CNFZAJNPCGOHBF-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP C(C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1)C1CCCC1 ZINC000643065554 384575009 /nfs/dbraw/zinc/57/50/09/384575009.db2.gz CQCKIACQCNNWOI-KGLIPLIRSA-N 2 1 222.376 2.251 20 0 BEADMP C(C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1)C1CCCC1 ZINC000643065554 384575022 /nfs/dbraw/zinc/57/50/22/384575022.db2.gz CQCKIACQCNNWOI-KGLIPLIRSA-N 2 1 222.376 2.251 20 0 BEADMP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643066247 384580305 /nfs/dbraw/zinc/58/03/05/384580305.db2.gz LYSLUNJTMLCBDK-MELADBBJSA-N 2 1 224.392 2.352 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643066247 384580309 /nfs/dbraw/zinc/58/03/09/384580309.db2.gz LYSLUNJTMLCBDK-MELADBBJSA-N 2 1 224.392 2.352 20 0 BEADMP CS[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000309721406 384566244 /nfs/dbraw/zinc/56/62/44/384566244.db2.gz WCJIQIRQHSKRIO-XQHKEYJVSA-N 2 1 242.432 2.200 20 0 BEADMP Cc1nc(C)c(C[NH2+]C[C@@H](C)C[NH+](C)C)s1 ZINC000309786083 384608224 /nfs/dbraw/zinc/60/82/24/384608224.db2.gz SOUWZGRPSYDECY-SECBINFHSA-N 2 1 241.404 2.047 20 0 BEADMP CSCCC[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000300855841 384611473 /nfs/dbraw/zinc/61/14/73/384611473.db2.gz OKYQYOAACCPFOJ-NEPJUHHUSA-N 2 1 230.421 2.059 20 0 BEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC000020523962 384618613 /nfs/dbraw/zinc/61/86/13/384618613.db2.gz NMYGGOLFSINENC-JZIBPQBNSA-N 2 1 245.370 2.357 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CC(C)(C)C)C1 ZINC000041051478 384595683 /nfs/dbraw/zinc/59/56/83/384595683.db2.gz HBOUDVZSGHDZKQ-LBPRGKRZSA-N 2 1 212.381 2.352 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]C[C@H]2CC=CCC2)CC1 ZINC000271809419 384647377 /nfs/dbraw/zinc/64/73/77/384647377.db2.gz KQHDQUCDKQEUKN-ZDUSSCGKSA-N 2 1 220.360 2.194 20 0 BEADMP CC[C@H](C)C[N@@H+](CC)C[C@@H]1CCC[NH2+]C1 ZINC000086437719 384651726 /nfs/dbraw/zinc/65/17/26/384651726.db2.gz LYOJSVUYWGMXOV-QWHCGFSZSA-N 2 1 212.381 2.354 20 0 BEADMP C[N@@H+](CCC[NH+]1CCCC1)CCC1CC1 ZINC000162616153 384653024 /nfs/dbraw/zinc/65/30/24/384653024.db2.gz RTBCQYJNNVWVAT-UHFFFAOYSA-N 2 1 210.365 2.204 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C2CCSCC2)[C@@H](C)C1 ZINC000246981607 384655869 /nfs/dbraw/zinc/65/58/69/384655869.db2.gz IWSORUZLIYYQOS-AAEUAGOBSA-N 2 1 242.432 2.202 20 0 BEADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044535837 384657634 /nfs/dbraw/zinc/65/76/34/384657634.db2.gz LFWHBDPHFJIDBB-AWEZNQCLSA-N 2 1 248.370 2.127 20 0 BEADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC000044535269 384658272 /nfs/dbraw/zinc/65/82/72/384658272.db2.gz AWAOOBJZVPXAOG-NSHDSACASA-N 2 1 224.373 2.180 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC000044535269 384658276 /nfs/dbraw/zinc/65/82/76/384658276.db2.gz AWAOOBJZVPXAOG-NSHDSACASA-N 2 1 224.373 2.180 20 0 BEADMP Cc1ccccc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044535118 384658528 /nfs/dbraw/zinc/65/85/28/384658528.db2.gz SCBSJXNDMCUQFA-CQSZACIVSA-N 2 1 232.371 2.426 20 0 BEADMP CC(C)([NH3+])C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000556935009 384662186 /nfs/dbraw/zinc/66/21/86/384662186.db2.gz MMDGCQJQNFMTTL-UHFFFAOYSA-N 2 1 228.286 2.451 20 0 BEADMP CC(F)(F)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000357718317 384683693 /nfs/dbraw/zinc/68/36/93/384683693.db2.gz VUOHEWMHNYBVDU-MNOVXSKESA-N 2 1 232.318 2.248 20 0 BEADMP C[NH+]1CCC([NH2+]C/C=C/c2ccccc2)CC1 ZINC000051789937 384686466 /nfs/dbraw/zinc/68/64/66/384686466.db2.gz RLBYKWCLZPQJMP-VMPITWQZSA-N 2 1 230.355 2.384 20 0 BEADMP CC[N@H+](C)CCNc1cc[nH+]cc1Cl ZINC000086833168 384701351 /nfs/dbraw/zinc/70/13/51/384701351.db2.gz QMGSRWJHOVONTG-UHFFFAOYSA-N 2 1 213.712 2.099 20 0 BEADMP CC[N@@H+](C)CCNc1cc[nH+]cc1Cl ZINC000086833168 384701358 /nfs/dbraw/zinc/70/13/58/384701358.db2.gz QMGSRWJHOVONTG-UHFFFAOYSA-N 2 1 213.712 2.099 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000011888460 384707488 /nfs/dbraw/zinc/70/74/88/384707488.db2.gz TYMOOFGSAIJCFV-HNNXBMFYSA-N 2 1 232.371 2.290 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC12CCC2 ZINC000401662295 384714705 /nfs/dbraw/zinc/71/47/05/384714705.db2.gz YKAMPNOQRRYJDL-CYBMUJFWSA-N 2 1 233.359 2.275 20 0 BEADMP C[N@H+](Cc1nccc2ccccc21)C1CC([NH3+])C1 ZINC000647544852 384720719 /nfs/dbraw/zinc/72/07/19/384720719.db2.gz CYQQBNFHFSKHGG-UHFFFAOYSA-N 2 1 241.338 2.156 20 0 BEADMP C[N@@H+](Cc1nccc2ccccc21)C1CC([NH3+])C1 ZINC000647544852 384720722 /nfs/dbraw/zinc/72/07/22/384720722.db2.gz CYQQBNFHFSKHGG-UHFFFAOYSA-N 2 1 241.338 2.156 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000054081315 384730355 /nfs/dbraw/zinc/73/03/55/384730355.db2.gz AQVGAELORJIDAU-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2C[NH2+]C[C@@H](C)C2)c(C)c1 ZINC000647548755 384739192 /nfs/dbraw/zinc/73/91/92/384739192.db2.gz SMPFDUKKPCGUIN-XJKSGUPXSA-N 2 1 246.398 2.434 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2C[NH2+]C[C@H](C)C2)c(C)c1 ZINC000647548753 384740089 /nfs/dbraw/zinc/74/00/89/384740089.db2.gz SMPFDUKKPCGUIN-CJNGLKHVSA-N 2 1 246.398 2.434 20 0 BEADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000647548967 384743487 /nfs/dbraw/zinc/74/34/87/384743487.db2.gz CBJDRBRDDHYCPT-QEJZJMRPSA-N 2 1 244.382 2.304 20 0 BEADMP COc1cccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1F ZINC000647552065 384756474 /nfs/dbraw/zinc/75/64/74/384756474.db2.gz DJTIIOCOJPBACJ-VHSXEESVSA-N 2 1 240.322 2.050 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CC2CCC(F)CC2)C1 ZINC000647553298 384768868 /nfs/dbraw/zinc/76/88/68/384768868.db2.gz QFZQPSFRGKIELP-YWPUVAFDSA-N 2 1 228.355 2.102 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1CCc2c1cccc2Cl ZINC000564827988 384823152 /nfs/dbraw/zinc/82/31/52/384823152.db2.gz NTEQECCAWZOTIM-PELKAZGASA-N 2 1 224.735 2.264 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(C)c1 ZINC000126793014 384829376 /nfs/dbraw/zinc/82/93/76/384829376.db2.gz LLTNFRPXZNJWMF-HIFRSBDPSA-N 2 1 232.371 2.473 20 0 BEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423353693 384831685 /nfs/dbraw/zinc/83/16/85/384831685.db2.gz CAWHAUPRNUGLMN-CYDGBPFRSA-N 2 1 210.365 2.009 20 0 BEADMP CCC1CC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000310013059 384783660 /nfs/dbraw/zinc/78/36/60/384783660.db2.gz JMTKCPPXYJJJGY-GNRIBBGQSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]([NH2+]C1Cc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000335041598 384785193 /nfs/dbraw/zinc/78/51/93/384785193.db2.gz QFEJIHPPSLMWSD-MLGOLLRUSA-N 2 1 244.382 2.274 20 0 BEADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)C1CC1 ZINC000423284567 384787329 /nfs/dbraw/zinc/78/73/29/384787329.db2.gz WXLHGBBRKITVIU-ZIAGYGMSSA-N 2 1 234.318 2.140 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000309749228 384790825 /nfs/dbraw/zinc/79/08/25/384790825.db2.gz GIPCXYYVVOOYIX-FRRDWIJNSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000309749228 384790834 /nfs/dbraw/zinc/79/08/34/384790834.db2.gz GIPCXYYVVOOYIX-FRRDWIJNSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000083846961 384804462 /nfs/dbraw/zinc/80/44/62/384804462.db2.gz UBNLTTQUHWZOGZ-HLVVYCRESA-N 2 1 222.376 2.390 20 0 BEADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000083846961 384804467 /nfs/dbraw/zinc/80/44/67/384804467.db2.gz UBNLTTQUHWZOGZ-HLVVYCRESA-N 2 1 222.376 2.390 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403676244 384848994 /nfs/dbraw/zinc/84/89/94/384848994.db2.gz PBWZYZUYTGOSHZ-APIJFGDWSA-N 2 1 236.403 2.354 20 0 BEADMP Cc1ccoc1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000127005908 384852749 /nfs/dbraw/zinc/85/27/49/384852749.db2.gz BRUKTBUCYFGOLY-VXGBXAGGSA-N 2 1 222.332 2.160 20 0 BEADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000084368472 384863291 /nfs/dbraw/zinc/86/32/91/384863291.db2.gz FFDUQKCJNLQZQF-GVXVVHGQSA-N 2 1 204.317 2.169 20 0 BEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000084368472 384863300 /nfs/dbraw/zinc/86/33/00/384863300.db2.gz FFDUQKCJNLQZQF-GVXVVHGQSA-N 2 1 204.317 2.169 20 0 BEADMP COc1ccc(C)cc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000258926485 384951464 /nfs/dbraw/zinc/95/14/64/384951464.db2.gz GRXLMZWNXYCRKR-ZDUSSCGKSA-N 2 1 248.370 2.093 20 0 BEADMP CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000259034939 384953093 /nfs/dbraw/zinc/95/30/93/384953093.db2.gz OXGKRBDUDAVJHI-HUUCEWRRSA-N 2 1 248.370 2.445 20 0 BEADMP Fc1ccccc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000258953655 384955442 /nfs/dbraw/zinc/95/54/42/384955442.db2.gz ISMWIVVCAHVQJX-GFCCVEGCSA-N 2 1 222.307 2.057 20 0 BEADMP CC[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000233894731 384899742 /nfs/dbraw/zinc/89/97/42/384899742.db2.gz RHULSGUGHGXAJQ-KWCYVHTRSA-N 2 1 218.344 2.417 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000111763718 384900971 /nfs/dbraw/zinc/90/09/71/384900971.db2.gz HUMWVAHQAOEDDW-YPMHNXCESA-N 2 1 236.334 2.385 20 0 BEADMP CC[N@H+](CC[NH2+][C@H](C)C1CCOCC1)C(C)C ZINC000156661497 384920561 /nfs/dbraw/zinc/92/05/61/384920561.db2.gz BVAOXPVSBMTYFR-CYBMUJFWSA-N 2 1 242.407 2.121 20 0 BEADMP CC[N@@H+](CC[NH2+][C@H](C)C1CCOCC1)C(C)C ZINC000156661497 384920566 /nfs/dbraw/zinc/92/05/66/384920566.db2.gz BVAOXPVSBMTYFR-CYBMUJFWSA-N 2 1 242.407 2.121 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(CC)OC)[C@@H](C)C1 ZINC000449474812 384921230 /nfs/dbraw/zinc/92/12/30/384921230.db2.gz KJFNBGKITQRKFO-IHRRRGAJSA-N 2 1 242.407 2.121 20 0 BEADMP Cc1ccc(C)c(C[NH2+]CC(C)(C)[NH3+])c1 ZINC000258740947 384941108 /nfs/dbraw/zinc/94/11/08/384941108.db2.gz FSLIOFNXGOXAQT-UHFFFAOYSA-N 2 1 206.333 2.130 20 0 BEADMP CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000259266014 384960306 /nfs/dbraw/zinc/96/03/06/384960306.db2.gz ZLAUJSBLFKBHFV-KGLIPLIRSA-N 2 1 234.343 2.055 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(Cl)o2)CC1 ZINC000336759457 384944749 /nfs/dbraw/zinc/94/47/49/384944749.db2.gz JAFFDPISTDVHLK-UHFFFAOYSA-N 2 1 240.734 2.285 20 0 BEADMP CC[N@H+](C)C[C@@H]1CCN(c2cccc(C)[nH+]2)C1 ZINC000128022020 384979969 /nfs/dbraw/zinc/97/99/69/384979969.db2.gz SPESJUYZPCERIR-ZDUSSCGKSA-N 2 1 233.359 2.168 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CCN(c2cccc(C)[nH+]2)C1 ZINC000128022020 384979976 /nfs/dbraw/zinc/97/99/76/384979976.db2.gz SPESJUYZPCERIR-ZDUSSCGKSA-N 2 1 233.359 2.168 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058041120 384980384 /nfs/dbraw/zinc/98/03/84/384980384.db2.gz IMUMZPSUQCFIOJ-OCCSQVGLSA-N 2 1 218.344 2.246 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000157116545 385079379 /nfs/dbraw/zinc/07/93/79/385079379.db2.gz XETDFYCGWJVXQD-MWLCHTKSSA-N 2 1 240.297 2.134 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000157116545 385079387 /nfs/dbraw/zinc/07/93/87/385079387.db2.gz XETDFYCGWJVXQD-MWLCHTKSSA-N 2 1 240.297 2.134 20 0 BEADMP CC[C@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1C ZINC000309326016 385027102 /nfs/dbraw/zinc/02/71/02/385027102.db2.gz HYSMVXPDBPOAQH-STQMWFEESA-N 2 1 221.348 2.360 20 0 BEADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000404830284 385087426 /nfs/dbraw/zinc/08/74/26/385087426.db2.gz XRTHZUHEIJRKGX-VXGBXAGGSA-N 2 1 240.297 2.180 20 0 BEADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000404830275 385087678 /nfs/dbraw/zinc/08/76/78/385087678.db2.gz XRTHZUHEIJRKGX-NEPJUHHUSA-N 2 1 240.297 2.180 20 0 BEADMP C[C@]1(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)CC[NH2+]C1 ZINC000227170337 385099530 /nfs/dbraw/zinc/09/95/30/385099530.db2.gz OQVPWCOLWYBJOC-IHRRRGAJSA-N 2 1 222.376 2.251 20 0 BEADMP [NH3+]C1CC[NH+](Cc2nccc3ccccc32)CC1 ZINC000647481925 385191910 /nfs/dbraw/zinc/19/19/10/385191910.db2.gz IRHROTQPHPURAO-UHFFFAOYSA-N 2 1 241.338 2.158 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cn1 ZINC000062051260 385150930 /nfs/dbraw/zinc/15/09/30/385150930.db2.gz FSNIWGVXDZPNLP-NJZAAPMLSA-N 2 1 247.386 2.208 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cn1 ZINC000062051260 385150937 /nfs/dbraw/zinc/15/09/37/385150937.db2.gz FSNIWGVXDZPNLP-NJZAAPMLSA-N 2 1 247.386 2.208 20 0 BEADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccccn1 ZINC000062078020 385154546 /nfs/dbraw/zinc/15/45/46/385154546.db2.gz FAJNTDMJIWHGLL-UONOGXRCSA-N 2 1 247.386 2.464 20 0 BEADMP CC1(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000647479733 385156962 /nfs/dbraw/zinc/15/69/62/385156962.db2.gz RLARNLZFIJOVHU-OLZOCXBDSA-N 2 1 222.376 2.251 20 0 BEADMP C1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000106868882 385158493 /nfs/dbraw/zinc/15/84/93/385158493.db2.gz ZTUBPWUGZCJWMQ-QWHCGFSZSA-N 2 1 208.349 2.145 20 0 BEADMP C[C@@H](c1ccncc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000644784180 385170169 /nfs/dbraw/zinc/17/01/69/385170169.db2.gz IRRRTCSORHGISY-DZGCQCFKSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@@H](c1ccncc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000644784180 385170176 /nfs/dbraw/zinc/17/01/76/385170176.db2.gz IRRRTCSORHGISY-DZGCQCFKSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@@H](c1ccncc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000644784180 385170185 /nfs/dbraw/zinc/17/01/85/385170185.db2.gz IRRRTCSORHGISY-DZGCQCFKSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@@H](c1ccncc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000644784180 385170194 /nfs/dbraw/zinc/17/01/94/385170194.db2.gz IRRRTCSORHGISY-DZGCQCFKSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@H](c1ccncc1)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000644784181 385170415 /nfs/dbraw/zinc/17/04/15/385170415.db2.gz IRRRTCSORHGISY-HIFRSBDPSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@H](c1ccncc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000644784181 385170435 /nfs/dbraw/zinc/17/04/35/385170435.db2.gz IRRRTCSORHGISY-HIFRSBDPSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@H](c1ccncc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000644784181 385170443 /nfs/dbraw/zinc/17/04/43/385170443.db2.gz IRRRTCSORHGISY-HIFRSBDPSA-N 2 1 245.370 2.170 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000308805510 385170713 /nfs/dbraw/zinc/17/07/13/385170713.db2.gz AVLRAZSJEVCDLX-YNEHKIRRSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@H]2C)C1 ZINC000346663857 385256198 /nfs/dbraw/zinc/25/61/98/385256198.db2.gz XDRUCEFOGTUPED-XJFOESAGSA-N 2 1 224.392 2.482 20 0 BEADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000300986631 385222434 /nfs/dbraw/zinc/22/24/34/385222434.db2.gz UXKYYFSLGMFCAQ-OLZOCXBDSA-N 2 1 212.381 2.339 20 0 BEADMP C[C@H]1CC[N@@H+](CC2CCCCC2)C[C@@H]1C[NH3+] ZINC000164647260 385227006 /nfs/dbraw/zinc/22/70/06/385227006.db2.gz OWAHAIVCQBLUKP-JSGCOSHPSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1(C)CC1 ZINC000037485300 385302878 /nfs/dbraw/zinc/30/28/78/385302878.db2.gz BTKOKAVPNQUBFC-VXGBXAGGSA-N 2 1 222.376 2.249 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000049256942 385308379 /nfs/dbraw/zinc/30/83/79/385308379.db2.gz BWYHOZAOONDVNR-AWEZNQCLSA-N 2 1 232.371 2.474 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2CCC23CCC3)CC1 ZINC000308950202 385311268 /nfs/dbraw/zinc/31/12/68/385311268.db2.gz OVLXXNFZQNYFSJ-LBPRGKRZSA-N 2 1 208.349 2.003 20 0 BEADMP C[C@@H](C[NH+](C)C)Nc1cc[nH+]cc1Cl ZINC000130599364 385268933 /nfs/dbraw/zinc/26/89/33/385268933.db2.gz GJVZSOIINZJICW-QMMMGPOBSA-N 2 1 213.712 2.097 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000647490890 385283255 /nfs/dbraw/zinc/28/32/55/385283255.db2.gz WZPHRBDLOQOUKY-GFCCVEGCSA-N 2 1 241.338 2.015 20 0 BEADMP C[C@@H]1CC[C@H](C[N@H+]2[C@@H](C)[C@H](C)CC[C@H]2C[NH3+])O1 ZINC000316782764 385328714 /nfs/dbraw/zinc/32/87/14/385328714.db2.gz FBRJGVVEWVAFTI-PEBLQZBPSA-N 2 1 240.391 2.002 20 0 BEADMP C[C@@H]1CC[C@H](C[N@@H+]2[C@@H](C)[C@H](C)CC[C@H]2C[NH3+])O1 ZINC000316782764 385328717 /nfs/dbraw/zinc/32/87/17/385328717.db2.gz FBRJGVVEWVAFTI-PEBLQZBPSA-N 2 1 240.391 2.002 20 0 BEADMP CCSCC[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC000309031106 385378449 /nfs/dbraw/zinc/37/84/49/385378449.db2.gz DVALDGBJSLEBDQ-GFCCVEGCSA-N 2 1 230.421 2.061 20 0 BEADMP CC[N@H+](CC[NH2+][C@H](C)C1CCC1)C(C)C ZINC000309051140 385383643 /nfs/dbraw/zinc/38/36/43/385383643.db2.gz REHOWWOOQJZRPX-GFCCVEGCSA-N 2 1 212.381 2.495 20 0 BEADMP CC[N@@H+](CC[NH2+][C@H](C)C1CCC1)C(C)C ZINC000309051140 385383646 /nfs/dbraw/zinc/38/36/46/385383646.db2.gz REHOWWOOQJZRPX-GFCCVEGCSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1CC[C@H](C[N@H+]2[C@H](C)[C@@H](C)CC[C@H]2C[NH3+])O1 ZINC000316782763 385327059 /nfs/dbraw/zinc/32/70/59/385327059.db2.gz FBRJGVVEWVAFTI-MQLXINIDSA-N 2 1 240.391 2.002 20 0 BEADMP C[C@@H]1CC[C@H](C[N@@H+]2[C@H](C)[C@@H](C)CC[C@H]2C[NH3+])O1 ZINC000316782763 385327064 /nfs/dbraw/zinc/32/70/64/385327064.db2.gz FBRJGVVEWVAFTI-MQLXINIDSA-N 2 1 240.391 2.002 20 0 BEADMP CC(C)OCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000180456037 385391585 /nfs/dbraw/zinc/39/15/85/385391585.db2.gz WPXOVBAQPRWDRA-UONOGXRCSA-N 2 1 242.407 2.264 20 0 BEADMP Cc1cc(C[N@@H+](C)CCC[NH3+])cc2cccnc12 ZINC000647497033 385398453 /nfs/dbraw/zinc/39/84/53/385398453.db2.gz XLGLSIZPHVDJNT-UHFFFAOYSA-N 2 1 243.354 2.324 20 0 BEADMP C[C@@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000193610394 385403445 /nfs/dbraw/zinc/40/34/45/385403445.db2.gz WQARIAAQBJSDAW-CWRNSKLLSA-N 2 1 244.382 2.284 20 0 BEADMP C[C@@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccccc1 ZINC000193610394 385403450 /nfs/dbraw/zinc/40/34/50/385403450.db2.gz WQARIAAQBJSDAW-CWRNSKLLSA-N 2 1 244.382 2.284 20 0 BEADMP C[C@@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccccc1 ZINC000193610394 385403455 /nfs/dbraw/zinc/40/34/55/385403455.db2.gz WQARIAAQBJSDAW-CWRNSKLLSA-N 2 1 244.382 2.284 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CC(C)(C)C1 ZINC000309088022 385411823 /nfs/dbraw/zinc/41/18/23/385411823.db2.gz BEXRECZEEQCFBF-LLVKDONJSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CC(C)(C)C1 ZINC000309088022 385411827 /nfs/dbraw/zinc/41/18/27/385411827.db2.gz BEXRECZEEQCFBF-LLVKDONJSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC2(C3CC3)CC2)CC[N@H+]1C ZINC000181654242 385412137 /nfs/dbraw/zinc/41/21/37/385412137.db2.gz XFYIUYVTOMURKT-DGCLKSJQSA-N 2 1 222.376 2.249 20 0 BEADMP CC[C@H]([NH2+][C@H](C)C[NH3+])c1ccc(OC)cc1 ZINC000234050738 259666709 /nfs/dbraw/zinc/66/67/09/259666709.db2.gz WLJSXSVOYRHCFJ-MFKMUULPSA-N 2 1 222.332 2.083 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)C1CC1 ZINC000309172067 385448435 /nfs/dbraw/zinc/44/84/35/385448435.db2.gz LOEORWAWVVRYAX-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)C1CC1 ZINC000309172067 385448439 /nfs/dbraw/zinc/44/84/39/385448439.db2.gz LOEORWAWVVRYAX-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)=CCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000309145776 385437816 /nfs/dbraw/zinc/43/78/16/385437816.db2.gz VCOQMJZTAISERF-QWHCGFSZSA-N 2 1 210.365 2.273 20 0 BEADMP COCCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000183934450 385483258 /nfs/dbraw/zinc/48/32/58/385483258.db2.gz GNTQCZBBKZQHNI-QWHCGFSZSA-N 2 1 242.407 2.121 20 0 BEADMP C[NH+]1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000336235679 385497643 /nfs/dbraw/zinc/49/76/43/385497643.db2.gz IKADVQVOCQZQQP-UHFFFAOYSA-N 2 1 208.349 2.171 20 0 BEADMP CC[C@H](CSC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000309293314 385514038 /nfs/dbraw/zinc/51/40/38/385514038.db2.gz WKHZONBVUUQROV-LLVKDONJSA-N 2 1 242.432 2.344 20 0 BEADMP CC(C)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106869000 385536225 /nfs/dbraw/zinc/53/62/25/385536225.db2.gz CFDIWLMPNAIRDQ-CHWSQXEVSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H](C[NH3+])C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000309350399 385541947 /nfs/dbraw/zinc/54/19/47/385541947.db2.gz MYIRTGMBPJBPDZ-RKDXNWHRSA-N 2 1 228.286 2.210 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H](Nc2cc[nH+]c3ccsc32)C1 ZINC000643030146 385525164 /nfs/dbraw/zinc/52/51/64/385525164.db2.gz CNVCGPMZTWOERR-NXEZZACHSA-N 2 1 247.367 2.400 20 0 BEADMP C[N@H+](CCc1ccncc1)CC[C@H]1CCC[NH+]1C ZINC000181497601 385581832 /nfs/dbraw/zinc/58/18/32/385581832.db2.gz VGKNTIKTAWIGSF-OAHLLOKOSA-N 2 1 247.386 2.040 20 0 BEADMP C[NH+](CCc1ccncc1)CC[C@H]1CCC[N@@H+]1C ZINC000181497601 385581835 /nfs/dbraw/zinc/58/18/35/385581835.db2.gz VGKNTIKTAWIGSF-OAHLLOKOSA-N 2 1 247.386 2.040 20 0 BEADMP C[NH+](CCc1ccncc1)CC[C@H]1CCC[N@H+]1C ZINC000181497601 385581838 /nfs/dbraw/zinc/58/18/38/385581838.db2.gz VGKNTIKTAWIGSF-OAHLLOKOSA-N 2 1 247.386 2.040 20 0 BEADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC000334615754 385589149 /nfs/dbraw/zinc/58/91/49/385589149.db2.gz NKQYCWLXVWBERZ-GHMZBOCLSA-N 2 1 210.346 2.108 20 0 BEADMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CCCC1 ZINC000063073499 385591218 /nfs/dbraw/zinc/59/12/18/385591218.db2.gz OFSNCYXQRWVGJX-UHFFFAOYSA-N 2 1 210.365 2.393 20 0 BEADMP CC1(C)CCC[N@H+]1CC[NH2+]C1CCCC1 ZINC000063073499 385591222 /nfs/dbraw/zinc/59/12/22/385591222.db2.gz OFSNCYXQRWVGJX-UHFFFAOYSA-N 2 1 210.365 2.393 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000414848942 385614595 /nfs/dbraw/zinc/61/45/95/385614595.db2.gz XQJASUIGRUDGMO-MRVPVSSYSA-N 2 1 246.276 2.049 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccsc1C ZINC000293477171 385615889 /nfs/dbraw/zinc/61/58/89/385615889.db2.gz FMYKBQUAXOAMSR-UHFFFAOYSA-N 2 1 235.356 2.351 20 0 BEADMP CC[NH+](CC)CCC[N@@H+]1CCCOC(C)(C)C1 ZINC000365052793 385625442 /nfs/dbraw/zinc/62/54/42/385625442.db2.gz KKECOHRRYCBYDN-UHFFFAOYSA-N 2 1 242.407 2.219 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CCCOC(C)(C)C1 ZINC000365052793 385625446 /nfs/dbraw/zinc/62/54/46/385625446.db2.gz KKECOHRRYCBYDN-UHFFFAOYSA-N 2 1 242.407 2.219 20 0 BEADMP c1csc(C[NH+]2CCC(n3ccnc3)CC2)n1 ZINC000269712129 385629675 /nfs/dbraw/zinc/62/96/75/385629675.db2.gz QEMBQQFIVBCGNN-UHFFFAOYSA-N 2 1 248.355 2.177 20 0 BEADMP CC(C)CCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000309484904 385610361 /nfs/dbraw/zinc/61/03/61/385610361.db2.gz XQQVBNZJKQINJK-UHFFFAOYSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccnc1 ZINC000250901469 385611424 /nfs/dbraw/zinc/61/14/24/385611424.db2.gz OBKGKEYBUFPYDD-QEJZJMRPSA-N 2 1 245.370 2.359 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccnc1 ZINC000250901469 385611425 /nfs/dbraw/zinc/61/14/25/385611425.db2.gz OBKGKEYBUFPYDD-QEJZJMRPSA-N 2 1 245.370 2.359 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccnc1 ZINC000250901466 385611882 /nfs/dbraw/zinc/61/18/82/385611882.db2.gz OBKGKEYBUFPYDD-CFVMTHIKSA-N 2 1 245.370 2.359 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccnc1 ZINC000250901466 385611885 /nfs/dbraw/zinc/61/18/85/385611885.db2.gz OBKGKEYBUFPYDD-CFVMTHIKSA-N 2 1 245.370 2.359 20 0 BEADMP CC[C@@H]1C[C@H](C[NH2+][C@@H](C[NH3+])CC(C)C)CCO1 ZINC000414853133 385683438 /nfs/dbraw/zinc/68/34/38/385683438.db2.gz RWPYICPIWQGKJX-MGPQQGTHSA-N 2 1 242.407 2.155 20 0 BEADMP C[C@@H](CCC1CC1)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000336734753 385683970 /nfs/dbraw/zinc/68/39/70/385683970.db2.gz HNONZADLYJLQME-FZMZJTMJSA-N 2 1 224.392 2.495 20 0 BEADMP Clc1ccc(CC[NH2+][C@H]2CCC[NH2+]C2)s1 ZINC000226355582 385689521 /nfs/dbraw/zinc/68/95/21/385689521.db2.gz FYXQCYULPZVVIG-VIFPVBQESA-N 2 1 244.791 2.286 20 0 BEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cncs1 ZINC000309561754 385699171 /nfs/dbraw/zinc/69/91/71/385699171.db2.gz LEWCCBSVPGTQPC-JTQLQIEISA-N 2 1 237.372 2.056 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)C1CC1 ZINC000309576752 385708930 /nfs/dbraw/zinc/70/89/30/385708930.db2.gz PEBXKBQERWLNBE-DEQVHRJGSA-N 2 1 222.376 2.247 20 0 BEADMP CC(C)CSCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000309608941 385740619 /nfs/dbraw/zinc/74/06/19/385740619.db2.gz MBKQQQBOXFRGLF-QWHCGFSZSA-N 2 1 244.448 2.448 20 0 BEADMP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414865319 385769088 /nfs/dbraw/zinc/76/90/88/385769088.db2.gz KPRAEVRKSKRUPO-ZJUUUORDSA-N 2 1 238.297 2.449 20 0 BEADMP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414866235 385774452 /nfs/dbraw/zinc/77/44/52/385774452.db2.gz MRQZLSLYRHKZNB-RKDXNWHRSA-N 2 1 224.270 2.059 20 0 BEADMP Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414866569 385779752 /nfs/dbraw/zinc/77/97/52/385779752.db2.gz FMROAIZAFZFDKI-UKRRQHHQSA-N 2 1 232.371 2.268 20 0 BEADMP C[C@H](C[NH2+]Cc1ccc(F)c(F)c1)C[NH+](C)C ZINC000291814047 385726557 /nfs/dbraw/zinc/72/65/57/385726557.db2.gz YOKDPNPUFBWMDA-SNVBAGLBSA-N 2 1 242.313 2.252 20 0 BEADMP Cn1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000270651614 385726708 /nfs/dbraw/zinc/72/67/08/385726708.db2.gz QSIZLZCBZZRWJY-UHFFFAOYSA-N 2 1 247.386 2.132 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000414948228 385807279 /nfs/dbraw/zinc/80/72/79/385807279.db2.gz WVVWQLLBLZFKTA-FPMFFAJLSA-N 2 1 218.344 2.260 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC2(C)C)CC[N@@H+]1C ZINC000336714789 385812547 /nfs/dbraw/zinc/81/25/47/385812547.db2.gz WHBOPQOZOYFPCL-UTUOFQBUSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC2(C)C)CC[N@H+]1C ZINC000336714789 385812551 /nfs/dbraw/zinc/81/25/51/385812551.db2.gz WHBOPQOZOYFPCL-UTUOFQBUSA-N 2 1 210.365 2.247 20 0 BEADMP COc1ccc2cc(C[NH2+][C@@H](C)C[NH3+])ccc2c1 ZINC000414952589 385826572 /nfs/dbraw/zinc/82/65/72/385826572.db2.gz KPSTYHFKWDKMNI-NSHDSACASA-N 2 1 244.338 2.285 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCS[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000647804758 385839114 /nfs/dbraw/zinc/83/91/14/385839114.db2.gz YIDNHYPUVUPKCB-NOOOWODRSA-N 2 1 228.405 2.001 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCCCCF)C1 ZINC000336706141 385792352 /nfs/dbraw/zinc/79/23/52/385792352.db2.gz RIDGGTQFTFPFKG-NWDGAFQWSA-N 2 1 216.344 2.185 20 0 BEADMP c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217663892 385890783 /nfs/dbraw/zinc/89/07/83/385890783.db2.gz MCCRATQBGIGFLN-GJZGRUSLSA-N 2 1 230.355 2.403 20 0 BEADMP c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217663892 385890784 /nfs/dbraw/zinc/89/07/84/385890784.db2.gz MCCRATQBGIGFLN-GJZGRUSLSA-N 2 1 230.355 2.403 20 0 BEADMP CCCCC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000123649156 385899342 /nfs/dbraw/zinc/89/93/42/385899342.db2.gz YKQAFECUDOOMIC-GFCCVEGCSA-N 2 1 200.370 2.482 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC=CCC1)c1c[nH+]ccc1N ZINC000335032936 385922097 /nfs/dbraw/zinc/92/20/97/385922097.db2.gz CJSIYERUXXHFKG-GHMZBOCLSA-N 2 1 217.316 2.253 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2cc(Cl)cs2)CCC1 ZINC000414873736 385880853 /nfs/dbraw/zinc/88/08/53/385880853.db2.gz HTZLZXCKQNGLQW-UHFFFAOYSA-N 2 1 230.764 2.373 20 0 BEADMP c1ccc([C@@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000250825000 385928394 /nfs/dbraw/zinc/92/83/94/385928394.db2.gz WEHQXUMYSGVZNU-GDBMZVCRSA-N 2 1 244.382 2.476 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]C/C=C/c1ccccc1 ZINC000414972701 385988959 /nfs/dbraw/zinc/98/89/59/385988959.db2.gz BISNYNKZMUZTJA-YSKGHYERSA-N 2 1 204.317 2.027 20 0 BEADMP Cc1ncc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])s1 ZINC000335039900 385930881 /nfs/dbraw/zinc/93/08/81/385930881.db2.gz NFWDLIYTQWXGFS-RYUDHWBXSA-N 2 1 239.388 2.201 20 0 BEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000335041374 385934224 /nfs/dbraw/zinc/93/42/24/385934224.db2.gz PWPFXVMRJWBKHU-NWDGAFQWSA-N 2 1 224.735 2.309 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000414060206 385937051 /nfs/dbraw/zinc/93/70/51/385937051.db2.gz JFLOWHDOJKAFHT-FDYHWXHSSA-N 2 1 212.381 2.351 20 0 BEADMP CC(C)([NH3+])C[NH2+][C@H]1CCc2c1cccc2F ZINC000335045012 385937898 /nfs/dbraw/zinc/93/78/98/385937898.db2.gz XGIABSAVXCNCAT-LBPRGKRZSA-N 2 1 222.307 2.140 20 0 BEADMP CC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000335049092 385945437 /nfs/dbraw/zinc/94/54/37/385945437.db2.gz HOAKJVTVKODEGI-STQMWFEESA-N 2 1 204.317 2.089 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000414078745 385949322 /nfs/dbraw/zinc/94/93/22/385949322.db2.gz REOUOEPHOUOBIF-GFQSEFKGSA-N 2 1 235.375 2.462 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](C[C@H](C)OC)C(C)C ZINC000338312364 385964349 /nfs/dbraw/zinc/96/43/49/385964349.db2.gz ICASEHYLYPZRCZ-AWEZNQCLSA-N 2 1 244.423 2.464 20 0 BEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000335013702 385968631 /nfs/dbraw/zinc/96/86/31/385968631.db2.gz OCMALXNFXVIBKP-DZGCQCFKSA-N 2 1 245.370 2.014 20 0 BEADMP CC[C@@H](C)[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000273133990 385973041 /nfs/dbraw/zinc/97/30/41/385973041.db2.gz VLBDSGGTNJABFH-MNOVXSKESA-N 2 1 207.321 2.388 20 0 BEADMP COCC[C@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000345146700 386011954 /nfs/dbraw/zinc/01/19/54/386011954.db2.gz BSMFEWGHWCJZSG-BFHYXJOUSA-N 2 1 242.407 2.264 20 0 BEADMP COCC[C@H](C)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000345146700 386011960 /nfs/dbraw/zinc/01/19/60/386011960.db2.gz BSMFEWGHWCJZSG-BFHYXJOUSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000414168736 386014430 /nfs/dbraw/zinc/01/44/30/386014430.db2.gz ALBZJVPCLYPJRD-KBPBESRZSA-N 2 1 247.386 2.464 20 0 BEADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000414170855 386016832 /nfs/dbraw/zinc/01/68/32/386016832.db2.gz CLEMYGLHPYKZFM-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH+](C)CCC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000234222209 386030934 /nfs/dbraw/zinc/03/09/34/386030934.db2.gz BJEMQEGTXGPDFQ-OAHLLOKOSA-N 2 1 248.370 2.311 20 0 BEADMP C[NH+](C)CCC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000234223071 386032731 /nfs/dbraw/zinc/03/27/31/386032731.db2.gz BJEMQEGTXGPDFQ-HNNXBMFYSA-N 2 1 248.370 2.311 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000414883791 386037012 /nfs/dbraw/zinc/03/70/12/386037012.db2.gz DOTSREYMHRSYNQ-MROQNXINSA-N 2 1 210.365 2.153 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000414977775 386036993 /nfs/dbraw/zinc/03/69/93/386036993.db2.gz KVBFWJGGPUMFNO-ZDUSSCGKSA-N 2 1 236.359 2.301 20 0 BEADMP Cc1cc[nH+]c(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000286462107 386040143 /nfs/dbraw/zinc/04/01/43/386040143.db2.gz SVBPJCWQJPJONY-PBWFPOADSA-N 2 1 245.370 2.451 20 0 BEADMP Cc1cc[nH+]c(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000286462107 386040151 /nfs/dbraw/zinc/04/01/51/386040151.db2.gz SVBPJCWQJPJONY-PBWFPOADSA-N 2 1 245.370 2.451 20 0 BEADMP CC[C@@H](C[NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000414884371 386041709 /nfs/dbraw/zinc/04/17/09/386041709.db2.gz ODIITHGTXJLHCV-JSGCOSHPSA-N 2 1 218.344 2.132 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000414164627 386048800 /nfs/dbraw/zinc/04/88/00/386048800.db2.gz BAHKDCPKVUCVRU-AAVRWANBSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000414164627 386048803 /nfs/dbraw/zinc/04/88/03/386048803.db2.gz BAHKDCPKVUCVRU-AAVRWANBSA-N 2 1 224.392 2.493 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)C2(OC)CCC2)CC1 ZINC000414307536 386110623 /nfs/dbraw/zinc/11/06/23/386110623.db2.gz FHUIHFDYRNOMDG-GFCCVEGCSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414665783 386113032 /nfs/dbraw/zinc/11/30/32/386113032.db2.gz VXUYPEYEBPPIFM-TUUVXOQKSA-N 2 1 244.382 2.459 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1cc(F)cc2cccnc21 ZINC000414987242 386117792 /nfs/dbraw/zinc/11/77/92/386117792.db2.gz YPGWBQAOXMNLPI-CYBMUJFWSA-N 2 1 247.317 2.201 20 0 BEADMP Fc1ccc(C[N@@H+](C[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000647873528 386121092 /nfs/dbraw/zinc/12/10/92/386121092.db2.gz WOPOZGRIOAFZBD-CYBMUJFWSA-N 2 1 248.345 2.400 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1CC1(C)C ZINC000414227776 386077346 /nfs/dbraw/zinc/07/73/46/386077346.db2.gz XOLBYBXNFITZAE-KXNHARMFSA-N 2 1 210.365 2.103 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414659440 386088931 /nfs/dbraw/zinc/08/89/31/386088931.db2.gz SLNZADHNUGWEPX-SNPRPXQTSA-N 2 1 230.355 2.071 20 0 BEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccncc1F ZINC000340530527 386144670 /nfs/dbraw/zinc/14/46/70/386144670.db2.gz HCUUOOHISIVRSO-NSHDSACASA-N 2 1 249.333 2.133 20 0 BEADMP CC[N@H+](Cc1ccccc1C)C[C@@H]1CC[NH2+]C1 ZINC000647877336 386147275 /nfs/dbraw/zinc/14/72/75/386147275.db2.gz NZWYNFBCZCQPTQ-CQSZACIVSA-N 2 1 232.371 2.426 20 0 BEADMP Cc1cc(F)ccc1C[NH2+]CC1([NH3+])CCC1 ZINC000414892661 386154883 /nfs/dbraw/zinc/15/48/83/386154883.db2.gz XHFNLRLWEWADBB-UHFFFAOYSA-N 2 1 222.307 2.105 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)[C@@H]1C ZINC000414893027 386155720 /nfs/dbraw/zinc/15/57/20/386155720.db2.gz QSPKIPKQDPKCGA-FVCCEPFGSA-N 2 1 210.365 2.153 20 0 BEADMP FC1(F)CC[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000310213236 386165214 /nfs/dbraw/zinc/16/52/14/386165214.db2.gz CVRVVEMPKTYPIP-TUAOUCFPSA-N 2 1 244.329 2.106 20 0 BEADMP FC1(F)CC[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000310213236 386165216 /nfs/dbraw/zinc/16/52/16/386165216.db2.gz CVRVVEMPKTYPIP-TUAOUCFPSA-N 2 1 244.329 2.106 20 0 BEADMP CC(C)c1cnc(C[NH2+][C@@H](C)CC[NH3+])s1 ZINC000414893927 386168865 /nfs/dbraw/zinc/16/88/65/386168865.db2.gz KSLAWZKCOBZJLC-VIFPVBQESA-N 2 1 227.377 2.093 20 0 BEADMP Cc1nc2c(s1)[C@@H]([N@@H+](C)CCC[NH3+])CCC2 ZINC000414692718 386181711 /nfs/dbraw/zinc/18/17/11/386181711.db2.gz KXHNPHGUXRJKDK-NSHDSACASA-N 2 1 239.388 2.110 20 0 BEADMP CO[C@@H](C)C[N@@H+](C[C@H]([NH3+])CC(C)C)C(C)C ZINC000414691395 386187362 /nfs/dbraw/zinc/18/73/62/386187362.db2.gz BOJXCHARHXUBSJ-QWHCGFSZSA-N 2 1 230.396 2.105 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@H](C)C1 ZINC000414335096 386128111 /nfs/dbraw/zinc/12/81/11/386128111.db2.gz IZMKKGFLGZRAAZ-YIYPIFLZSA-N 2 1 248.370 2.455 20 0 BEADMP CC(C)[C@H]1CCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000414890754 386131570 /nfs/dbraw/zinc/13/15/70/386131570.db2.gz NATUJLVBXAPYSU-XQQFMLRXSA-N 2 1 210.365 2.153 20 0 BEADMP Cc1ccccc1[C@@H]1CCC[N@H+]1CCC[NH3+] ZINC000414669955 386134502 /nfs/dbraw/zinc/13/45/02/386134502.db2.gz CHAOAULEQAIYDW-AWEZNQCLSA-N 2 1 218.344 2.481 20 0 BEADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000647874664 386142126 /nfs/dbraw/zinc/14/21/26/386142126.db2.gz KUMBBEGGYWAXCY-IUODEOHRSA-N 2 1 230.355 2.215 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1C ZINC000235887595 386202000 /nfs/dbraw/zinc/20/20/00/386202000.db2.gz AVNCUALOUOMKAV-OAHLLOKOSA-N 2 1 232.371 2.474 20 0 BEADMP CC[N@@H+](CCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647880972 386202463 /nfs/dbraw/zinc/20/24/63/386202463.db2.gz KJVNAPZZPRXAMN-HNNXBMFYSA-N 2 1 232.371 2.161 20 0 BEADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCC[NH3+] ZINC000414702796 386211289 /nfs/dbraw/zinc/21/12/89/386211289.db2.gz LXCUNFJNPDJMBZ-OCCSQVGLSA-N 2 1 218.344 2.213 20 0 BEADMP COc1ccccc1/C=C/C[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000415000448 386223322 /nfs/dbraw/zinc/22/33/22/386223322.db2.gz BDFFPQADNYBIJB-TXBNAWBVSA-N 2 1 234.343 2.034 20 0 BEADMP COc1ccccc1/C=C\C[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000415000450 386223961 /nfs/dbraw/zinc/22/39/61/386223961.db2.gz BDFFPQADNYBIJB-WAIVJAFWSA-N 2 1 234.343 2.034 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccccc1F ZINC000132183547 386227173 /nfs/dbraw/zinc/22/71/73/386227173.db2.gz UNXGNJYWVVAGFH-NEPJUHHUSA-N 2 1 236.334 2.476 20 0 BEADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H](C)c1ccccn1 ZINC000160829460 386228965 /nfs/dbraw/zinc/22/89/65/386228965.db2.gz MVKFBWYUMQVBAA-JHJVBQTASA-N 2 1 233.359 2.263 20 0 BEADMP C[C@@H]1[C@H](C)SCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000132525697 386241088 /nfs/dbraw/zinc/24/10/88/386241088.db2.gz YPQKENNBTPTURS-NEPJUHHUSA-N 2 1 242.432 2.202 20 0 BEADMP COc1c(C)cc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1C ZINC000347096013 386247016 /nfs/dbraw/zinc/24/70/16/386247016.db2.gz ITAJNOKAPPUJFS-CYBMUJFWSA-N 2 1 248.370 2.093 20 0 BEADMP C[C@@H]1C[N@@H+](CCC[NH3+])CC[C@H]1c1ccccc1 ZINC000414718844 386250236 /nfs/dbraw/zinc/25/02/36/386250236.db2.gz ZTOKFJGVMVMGRD-UKRRQHHQSA-N 2 1 232.371 2.461 20 0 BEADMP CCCC[N@H+](CC)CCn1cc[nH+]c1C ZINC000336646888 386255318 /nfs/dbraw/zinc/25/53/18/386255318.db2.gz LHTAMUJQZRGAON-UHFFFAOYSA-N 2 1 209.337 2.314 20 0 BEADMP CCCC[N@@H+](CC)CCn1cc[nH+]c1C ZINC000336646888 386255322 /nfs/dbraw/zinc/25/53/22/386255322.db2.gz LHTAMUJQZRGAON-UHFFFAOYSA-N 2 1 209.337 2.314 20 0 BEADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)c1cccc(O)c1 ZINC000647880366 386196149 /nfs/dbraw/zinc/19/61/49/386196149.db2.gz NSWXFNYNFLZJHY-OLZOCXBDSA-N 2 1 248.370 2.385 20 0 BEADMP C[C@H]1c2c(F)cccc2CC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647885853 386285800 /nfs/dbraw/zinc/28/58/00/386285800.db2.gz YGADSQJXTMUSEB-RYUDHWBXSA-N 2 1 248.345 2.354 20 0 BEADMP C[C@H]1c2c(F)cccc2CC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647885853 386285803 /nfs/dbraw/zinc/28/58/03/386285803.db2.gz YGADSQJXTMUSEB-RYUDHWBXSA-N 2 1 248.345 2.354 20 0 BEADMP CC[C@@H]1Cc2ccccc2C[N@H+]1CCC[NH3+] ZINC000414735079 386308121 /nfs/dbraw/zinc/30/81/21/386308121.db2.gz FONHTJUGFVQVLM-CQSZACIVSA-N 2 1 218.344 2.172 20 0 BEADMP CCCOc1cccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])c1 ZINC000415003892 386263993 /nfs/dbraw/zinc/26/39/93/386263993.db2.gz GRLXGVQRPWSPJE-NEPJUHHUSA-N 2 1 236.359 2.301 20 0 BEADMP CSC1(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000340572805 386264494 /nfs/dbraw/zinc/26/44/94/386264494.db2.gz NWUROYKLLSUSOS-NWDGAFQWSA-N 2 1 242.432 2.297 20 0 BEADMP CSC1(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000340572805 386264497 /nfs/dbraw/zinc/26/44/97/386264497.db2.gz NWUROYKLLSUSOS-NWDGAFQWSA-N 2 1 242.432 2.297 20 0 BEADMP CSC1(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000340572805 386264500 /nfs/dbraw/zinc/26/45/00/386264500.db2.gz NWUROYKLLSUSOS-NWDGAFQWSA-N 2 1 242.432 2.297 20 0 BEADMP CSC1(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000340572805 386264503 /nfs/dbraw/zinc/26/45/03/386264503.db2.gz NWUROYKLLSUSOS-NWDGAFQWSA-N 2 1 242.432 2.297 20 0 BEADMP CC[C@@H]1Cc2ccccc2C[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647989243 386348730 /nfs/dbraw/zinc/34/87/30/386348730.db2.gz ZUUBRVLXARIXIJ-XJKSGUPXSA-N 2 1 244.382 2.433 20 0 BEADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647889350 386360446 /nfs/dbraw/zinc/36/04/46/386360446.db2.gz JBTNKLCXSKJPCF-YCPHGPKFSA-N 2 1 244.382 2.474 20 0 BEADMP CO[C@H]1CC[N@@H+](CCCc2cnccc2C)C1 ZINC000290027125 386385182 /nfs/dbraw/zinc/38/51/82/386385182.db2.gz NCOWQDBBOAJAJT-AWEZNQCLSA-N 2 1 234.343 2.043 20 0 BEADMP Cc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000335275303 386332215 /nfs/dbraw/zinc/33/22/15/386332215.db2.gz AJYPEEICTLHGKD-ZIAGYGMSSA-N 2 1 236.334 2.494 20 0 BEADMP C[C@H]1CCC[C@@H](C[NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000414903213 386336258 /nfs/dbraw/zinc/33/62/58/386336258.db2.gz LFHCVPGZQVEYMQ-XQQFMLRXSA-N 2 1 210.365 2.154 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000230045724 386336683 /nfs/dbraw/zinc/33/66/83/386336683.db2.gz CJUGFXOBRUGASE-VHDGCEQUSA-N 2 1 248.345 2.385 20 0 BEADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@@H](C)CCCOC ZINC000336776250 386394487 /nfs/dbraw/zinc/39/44/87/386394487.db2.gz FGAVVJYIYGBGKQ-STQMWFEESA-N 2 1 230.396 2.121 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC000093216134 386405883 /nfs/dbraw/zinc/40/58/83/386405883.db2.gz IVGUTYMJTSMCKE-VXGBXAGGSA-N 2 1 240.297 2.324 20 0 BEADMP CC[NH+](CC)[C@@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000266175079 386408305 /nfs/dbraw/zinc/40/83/05/386408305.db2.gz AJFSLLGYWPEVRH-CYBMUJFWSA-N 2 1 248.374 2.014 20 0 BEADMP [NH3+][C@@H]1CCC[N@H+](CCCCOc2ccccc2)C1 ZINC000339408292 386413535 /nfs/dbraw/zinc/41/35/35/386413535.db2.gz XNHYWNKEOIJWTB-CQSZACIVSA-N 2 1 248.370 2.269 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+](CCCCOc2ccccc2)C1 ZINC000339408292 386413547 /nfs/dbraw/zinc/41/35/47/386413547.db2.gz XNHYWNKEOIJWTB-CQSZACIVSA-N 2 1 248.370 2.269 20 0 BEADMP COC[C@H]1CCCC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414758747 386414139 /nfs/dbraw/zinc/41/41/39/386414139.db2.gz NHRWROCHSHRNEV-ZDUSSCGKSA-N 2 1 242.407 2.123 20 0 BEADMP COC[C@H]1CCCC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414758747 386414145 /nfs/dbraw/zinc/41/41/45/386414145.db2.gz NHRWROCHSHRNEV-ZDUSSCGKSA-N 2 1 242.407 2.123 20 0 BEADMP Cc1cc(C)c2c(c1)C[N@H+](C[C@@H]1CC[NH2+]C1)CC2 ZINC000647991292 386421715 /nfs/dbraw/zinc/42/17/15/386421715.db2.gz WSSJSTJHFBFDHW-CQSZACIVSA-N 2 1 244.382 2.271 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000414910359 386436149 /nfs/dbraw/zinc/43/61/49/386436149.db2.gz CMDICYZXJDHMCR-RQJABVFESA-N 2 1 224.392 2.400 20 0 BEADMP CC1(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCC1 ZINC000414775191 386469230 /nfs/dbraw/zinc/46/92/30/386469230.db2.gz GGSQITKINANGRQ-UONOGXRCSA-N 2 1 236.403 2.498 20 0 BEADMP Cc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)on1 ZINC000266795962 386470618 /nfs/dbraw/zinc/47/06/18/386470618.db2.gz YEXMOXXVEUGDST-UHFFFAOYSA-N 2 1 246.314 2.086 20 0 BEADMP CC[C@H]1C[N@@H+](Cc2ccc(C)nc2C)CC[C@@H]1[NH3+] ZINC000647934382 386472322 /nfs/dbraw/zinc/47/23/22/386472322.db2.gz CQEPVKNIAQYODB-ZFWWWQNUSA-N 2 1 247.386 2.258 20 0 BEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CC12CC2 ZINC000417345926 386488170 /nfs/dbraw/zinc/48/81/70/386488170.db2.gz YMAJJKXIYJALCK-FRRDWIJNSA-N 2 1 220.360 2.003 20 0 BEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000415019254 386492618 /nfs/dbraw/zinc/49/26/18/386492618.db2.gz RTXIOLQVAGOQGQ-NEPJUHHUSA-N 2 1 248.370 2.301 20 0 BEADMP CC(C)Oc1cccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])c1 ZINC000415013472 386494759 /nfs/dbraw/zinc/49/47/59/386494759.db2.gz VCXFROPIGGKYQN-VXGBXAGGSA-N 2 1 236.359 2.299 20 0 BEADMP CC(C)Oc1cccc(C[NH2+][C@H](C)[C@H](C)[NH3+])c1 ZINC000415013470 386495711 /nfs/dbraw/zinc/49/57/11/386495711.db2.gz VCXFROPIGGKYQN-NWDGAFQWSA-N 2 1 236.359 2.299 20 0 BEADMP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1Cl ZINC000415014966 386500405 /nfs/dbraw/zinc/50/04/05/386500405.db2.gz MOGCKIWEQVUINL-ZJUUUORDSA-N 2 1 226.751 2.474 20 0 BEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000415022586 386511639 /nfs/dbraw/zinc/51/16/39/386511639.db2.gz VPHULTDLTHDORR-MNOVXSKESA-N 2 1 218.344 2.389 20 0 BEADMP Oc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000335451334 386524364 /nfs/dbraw/zinc/52/43/64/386524364.db2.gz IGGKOKDBDYPQMG-AWEZNQCLSA-N 2 1 246.354 2.111 20 0 BEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC000415010354 386455497 /nfs/dbraw/zinc/45/54/97/386455497.db2.gz OYWILMCAJZEGFN-MNOVXSKESA-N 2 1 229.327 2.060 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000339512243 386457043 /nfs/dbraw/zinc/45/70/43/386457043.db2.gz MHFIFFXRPKMPGP-HOCLYGCPSA-N 2 1 244.382 2.474 20 0 BEADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[NH2+]C1)c1cccnc1 ZINC000415076656 386575204 /nfs/dbraw/zinc/57/52/04/386575204.db2.gz DGPOINDCIVWWGR-CABCVRRESA-N 2 1 247.386 2.163 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cccc(Cl)c1 ZINC000414797947 386582139 /nfs/dbraw/zinc/58/21/39/386582139.db2.gz PVRMXYQQZIMZGZ-GFCCVEGCSA-N 2 1 226.751 2.413 20 0 BEADMP [NH3+]C[C@H]([NH2+]Cc1ccc(Cl)cc1)C1CC1 ZINC000414800450 386586792 /nfs/dbraw/zinc/58/67/92/386586792.db2.gz KUNQILSCNIUEDN-LBPRGKRZSA-N 2 1 224.735 2.167 20 0 BEADMP C[C@H](CCC1CC1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000414922755 386594375 /nfs/dbraw/zinc/59/43/75/386594375.db2.gz GLWXWZNVPIHNPD-DMDPSCGWSA-N 2 1 210.365 2.153 20 0 BEADMP CSc1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000414788363 386531430 /nfs/dbraw/zinc/53/14/30/386531430.db2.gz DLFMQIRXHGMJJA-ZDUSSCGKSA-N 2 1 238.400 2.481 20 0 BEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccsc1 ZINC000415047583 386534867 /nfs/dbraw/zinc/53/48/67/386534867.db2.gz DZLQBMXOYLEDJS-JTQLQIEISA-N 2 1 212.362 2.211 20 0 BEADMP Cc1cccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)c1 ZINC000415048896 386535012 /nfs/dbraw/zinc/53/50/12/386535012.db2.gz GMOPBSBTXNPEBK-CYBMUJFWSA-N 2 1 220.360 2.458 20 0 BEADMP COc1cccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)c1 ZINC000415053221 386535598 /nfs/dbraw/zinc/53/55/98/386535598.db2.gz MBJTVGMQDHCYCZ-CYBMUJFWSA-N 2 1 236.359 2.158 20 0 BEADMP CCOc1cccc(C[NH2+]C[C@H]([NH3+])C(C)C)c1 ZINC000414802771 386596850 /nfs/dbraw/zinc/59/68/50/386596850.db2.gz VXCQERBGFIMXEQ-AWEZNQCLSA-N 2 1 236.359 2.158 20 0 BEADMP C[C@H](CC1CC1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415063937 386543435 /nfs/dbraw/zinc/54/34/35/386543435.db2.gz JGPKWROQYBCDEK-ZWNOBZJWSA-N 2 1 210.365 2.282 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+]C/C=C\c1ccccc1 ZINC000414791694 386550425 /nfs/dbraw/zinc/55/04/25/386550425.db2.gz IFPGLXGBHHOFRN-DEBLGDTFSA-N 2 1 218.344 2.273 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[NH2+][C@H](C[NH3+])C1CC1 ZINC000414791512 386550458 /nfs/dbraw/zinc/55/04/58/386550458.db2.gz BKIGHQLYVKKXJM-KGYLQXTDSA-N 2 1 210.365 2.140 20 0 BEADMP CC[C@H](C)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415053104 386553502 /nfs/dbraw/zinc/55/35/02/386553502.db2.gz NZOOVTCGKDKULK-IHRRRGAJSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[NH2+]CCC[NH+]1CCC1 ZINC000519778188 386553454 /nfs/dbraw/zinc/55/34/54/386553454.db2.gz PQWLVCMWOMDHPI-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@H](C[NH2+][C@H](C[NH3+])C1CC1)Cc1ccccc1 ZINC000414802739 386597637 /nfs/dbraw/zinc/59/76/37/386597637.db2.gz NASHBRRIAHYRJH-SWLSCSKDSA-N 2 1 232.371 2.192 20 0 BEADMP [NH3+]C[C@H]([NH2+]C/C=C\c1ccccc1)C1CC1 ZINC000414793028 386562030 /nfs/dbraw/zinc/56/20/30/386562030.db2.gz CYBSNLQDURFVGK-ZBKLQPJUSA-N 2 1 216.328 2.027 20 0 BEADMP Cc1cccc(C[NH2+]C[C@H]([NH3+])C(C)C)c1C ZINC000414794839 386562039 /nfs/dbraw/zinc/56/20/39/386562039.db2.gz MGUUBVUCDDMQKI-AWEZNQCLSA-N 2 1 220.360 2.376 20 0 BEADMP CC(C)c1ncc(C[NH2+]C2CC[NH2+]CC2)s1 ZINC000414795145 386572159 /nfs/dbraw/zinc/57/21/59/386572159.db2.gz WOSYCUULZHZNQA-UHFFFAOYSA-N 2 1 239.388 2.108 20 0 BEADMP CCC1CCC([NH2+][C@@H](C[NH3+])C2CC2)CC1 ZINC000414809856 386620291 /nfs/dbraw/zinc/62/02/91/386620291.db2.gz URRQUVIITBEEMJ-GDKBPFBDSA-N 2 1 210.365 2.282 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CCCCC1 ZINC000414924253 386620473 /nfs/dbraw/zinc/62/04/73/386620473.db2.gz IMZXRMRYKBOPAY-YPMHNXCESA-N 2 1 210.365 2.154 20 0 BEADMP CCCC[C@@H](CN)[NH2+]Cc1ccsc1 ZINC000414809809 386621526 /nfs/dbraw/zinc/62/15/26/386621526.db2.gz HALLULAQAISEDT-NSHDSACASA-N 2 1 212.362 2.355 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000415121519 386632538 /nfs/dbraw/zinc/63/25/38/386632538.db2.gz IJNQUQJOXFRXAN-GJZGRUSLSA-N 2 1 232.371 2.331 20 0 BEADMP Cc1cc[nH+]c(N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000268369836 386646242 /nfs/dbraw/zinc/64/62/42/386646242.db2.gz YMOJWJIKZIAGDA-ZDUSSCGKSA-N 2 1 233.359 2.168 20 0 BEADMP Cc1cc[nH+]c(N(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000268369836 386646249 /nfs/dbraw/zinc/64/62/49/386646249.db2.gz YMOJWJIKZIAGDA-ZDUSSCGKSA-N 2 1 233.359 2.168 20 0 BEADMP C[C@@H](CCc1ccccc1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414817100 386652969 /nfs/dbraw/zinc/65/29/69/386652969.db2.gz ZECXBKPBDMNUFC-SWLSCSKDSA-N 2 1 232.371 2.335 20 0 BEADMP CCC([NH3+])(CC)C[NH2+]Cc1cccc2c1NCC2 ZINC000414805598 386603332 /nfs/dbraw/zinc/60/33/32/386603332.db2.gz GUHQMSAHOCFPGH-UHFFFAOYSA-N 2 1 247.386 2.262 20 0 BEADMP C[C@]1(C[NH2+]Cc2cc(F)ccc2F)CC[NH2+]C1 ZINC000415086599 386604348 /nfs/dbraw/zinc/60/43/48/386604348.db2.gz UVGRWVLVYLWOQX-ZDUSSCGKSA-N 2 1 240.297 2.054 20 0 BEADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](COC)CC(C)C ZINC000414805737 386605578 /nfs/dbraw/zinc/60/55/78/386605578.db2.gz AQJXJJGRVVGRJL-QWHCGFSZSA-N 2 1 230.396 2.155 20 0 BEADMP Cc1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1F ZINC000414806141 386606799 /nfs/dbraw/zinc/60/67/99/386606799.db2.gz ZLCVPGVBBKNSRG-CYBMUJFWSA-N 2 1 224.323 2.207 20 0 BEADMP FCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978564 386606745 /nfs/dbraw/zinc/60/67/45/386606745.db2.gz UWORQOSCYUECBA-CHWSQXEVSA-N 2 1 228.355 2.058 20 0 BEADMP CC1CC([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000335494730 386616969 /nfs/dbraw/zinc/61/69/69/386616969.db2.gz FFXKNCUKBABMGC-RIXNLZLZSA-N 2 1 230.355 2.130 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000414822009 386670276 /nfs/dbraw/zinc/67/02/76/386670276.db2.gz FZFVPEMITMTTHD-NWANDNLSSA-N 2 1 232.371 2.378 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000414822008 386671784 /nfs/dbraw/zinc/67/17/84/386671784.db2.gz FZFVPEMITMTTHD-BPLDGKMQSA-N 2 1 232.371 2.378 20 0 BEADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000414821368 386677253 /nfs/dbraw/zinc/67/72/53/386677253.db2.gz DVKRWCCGCAGNHM-STQMWFEESA-N 2 1 210.365 2.154 20 0 BEADMP Cc1ccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)o1 ZINC000292691864 386709574 /nfs/dbraw/zinc/70/95/74/386709574.db2.gz BMVUYVOCJORSFN-CQSZACIVSA-N 2 1 234.343 2.116 20 0 BEADMP Fc1cc(Cl)cc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000335482202 386710391 /nfs/dbraw/zinc/71/03/91/386710391.db2.gz BLESWMJWSLTTDG-UHFFFAOYSA-N 2 1 242.725 2.321 20 0 BEADMP CSCC[C@@H](C)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000156878845 386710940 /nfs/dbraw/zinc/71/09/40/386710940.db2.gz PBTJEQDQHUXRTC-NEPJUHHUSA-N 2 1 230.421 2.059 20 0 BEADMP COc1cccc(Cl)c1C[NH2+]CC[C@H](C)[NH3+] ZINC000414826233 386695294 /nfs/dbraw/zinc/69/52/94/386695294.db2.gz VFEJWKXQXONFSO-VIFPVBQESA-N 2 1 242.750 2.176 20 0 BEADMP C[NH2+]CC[NH2+][C@H](C)C[C@H](C)CC(C)C ZINC000414828626 386697244 /nfs/dbraw/zinc/69/72/44/386697244.db2.gz LAWVIIQMEPGXQO-VXGBXAGGSA-N 2 1 200.370 2.256 20 0 BEADMP Cc1ccc(F)c(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414829116 386700886 /nfs/dbraw/zinc/70/08/86/386700886.db2.gz NDINWQCDUAZNPI-GFCCVEGCSA-N 2 1 236.334 2.223 20 0 BEADMP CC[NH2+]CC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000414830176 386706296 /nfs/dbraw/zinc/70/62/96/386706296.db2.gz NMJSTWZBKMWQHH-ZDUSSCGKSA-N 2 1 220.360 2.064 20 0 BEADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C[C@@H](C)C1 ZINC000414929377 386733238 /nfs/dbraw/zinc/73/32/38/386733238.db2.gz NUFNGLGMBXHAMO-XHJNMGKDSA-N 2 1 224.392 2.399 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H](C)CCc1ccccc1 ZINC000414837552 386735690 /nfs/dbraw/zinc/73/56/90/386735690.db2.gz XVGJULQVLYOREH-ZDUSSCGKSA-N 2 1 220.360 2.207 20 0 BEADMP Cc1ccncc1C[NH2+]CC1([NH3+])CCCCC1 ZINC000414837922 386736847 /nfs/dbraw/zinc/73/68/47/386736847.db2.gz HKWKBPVEQWSKKG-UHFFFAOYSA-N 2 1 233.359 2.141 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H](CC)Cc1ccccc1 ZINC000414833480 386714055 /nfs/dbraw/zinc/71/40/55/386714055.db2.gz SEUUUKNXPLRTON-AWEZNQCLSA-N 2 1 220.360 2.207 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CC[C@H](C(C)C)[C@H](C)C1 ZINC000414833667 386714279 /nfs/dbraw/zinc/71/42/79/386714279.db2.gz STFKRFKASILRDU-JHJVBQTASA-N 2 1 212.381 2.256 20 0 BEADMP CC(C)CC[C@@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000357099865 386716804 /nfs/dbraw/zinc/71/68/04/386716804.db2.gz DOZINYJNENRKLK-AWEZNQCLSA-N 2 1 242.407 2.252 20 0 BEADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCSC1)C1CCCCC1 ZINC000414832083 386716860 /nfs/dbraw/zinc/71/68/60/386716860.db2.gz DFPQJMVSAGIIQR-CHWSQXEVSA-N 2 1 242.432 2.379 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cccc(F)c1 ZINC000414832819 386720163 /nfs/dbraw/zinc/72/01/63/386720163.db2.gz DYFIBTBNWYKPSF-CYBMUJFWSA-N 2 1 224.323 2.289 20 0 BEADMP CCOc1ccccc1C[NH2+]C[C@H](C)C[NH2+]C ZINC000414832650 386721584 /nfs/dbraw/zinc/72/15/84/386721584.db2.gz FJYDDVMSNLGODY-GFCCVEGCSA-N 2 1 236.359 2.030 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(C)ccc1F ZINC000414834827 386723382 /nfs/dbraw/zinc/72/33/82/386723382.db2.gz HXIGMLUXIUUWKD-NSHDSACASA-N 2 1 224.323 2.079 20 0 BEADMP [NH3+]C[C@H]([NH2+]C1CCSCC1)C1CCCCC1 ZINC000414839986 386747002 /nfs/dbraw/zinc/74/70/02/386747002.db2.gz LZTVSKVSPBHFAB-ZDUSSCGKSA-N 2 1 242.432 2.379 20 0 BEADMP C[C@@H]1C[C@H]1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348869825 386762837 /nfs/dbraw/zinc/76/28/37/386762837.db2.gz PLSOTKJEAXKTNY-ZBBUEOHVSA-N 2 1 222.376 2.199 20 0 BEADMP C[C@@H]1C[C@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348869825 386762843 /nfs/dbraw/zinc/76/28/43/386762843.db2.gz PLSOTKJEAXKTNY-ZBBUEOHVSA-N 2 1 222.376 2.199 20 0 BEADMP C[C@@H]1C[C@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348869825 386762846 /nfs/dbraw/zinc/76/28/46/386762846.db2.gz PLSOTKJEAXKTNY-ZBBUEOHVSA-N 2 1 222.376 2.199 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1F ZINC000335641155 386765651 /nfs/dbraw/zinc/76/56/51/386765651.db2.gz RPNRNJIEOCCMNO-DGCLKSJQSA-N 2 1 236.334 2.364 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000122317198 386741712 /nfs/dbraw/zinc/74/17/12/386741712.db2.gz VYKQNWNZIKLTBF-GXTWGEPZSA-N 2 1 218.344 2.164 20 0 BEADMP [NH3+]C[C@H]1CCC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000334143455 386742118 /nfs/dbraw/zinc/74/21/18/386742118.db2.gz RPLZIDFDKHDAFR-ABAIWWIYSA-N 2 1 248.345 2.484 20 0 BEADMP Cc1ccc(CCC[NH2+][C@H](C[NH3+])CC(C)C)cn1 ZINC000414838988 386743559 /nfs/dbraw/zinc/74/35/59/386743559.db2.gz LFVFOMJKGSABRX-HNNXBMFYSA-N 2 1 249.402 2.286 20 0 BEADMP COc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000051253270 386778821 /nfs/dbraw/zinc/77/88/21/386778821.db2.gz HRKFXVOPHIJYQZ-UHFFFAOYSA-N 2 1 236.359 2.112 20 0 BEADMP C[C@H](C[NH2+][C@@H](C)c1cncc(F)c1)C[NH+](C)C ZINC000336667522 386788419 /nfs/dbraw/zinc/78/84/19/386788419.db2.gz ACCUSAZSCNGUMD-MNOVXSKESA-N 2 1 239.338 2.069 20 0 BEADMP C[C@@H](C[NH2+][C@@H](C)C[NH3+])c1cccc(Cl)c1 ZINC000414935973 386819358 /nfs/dbraw/zinc/81/93/58/386819358.db2.gz BKZZARXNULKGQO-UWVGGRQHSA-N 2 1 226.751 2.380 20 0 BEADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@@H](C)C[NH3+] ZINC000414934737 386800871 /nfs/dbraw/zinc/80/08/71/386800871.db2.gz AIOCRYMVIUVZNO-JSGCOSHPSA-N 2 1 220.360 2.253 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CCCc2occc21)C[NH+](C)C ZINC000293303859 386811550 /nfs/dbraw/zinc/81/15/50/386811550.db2.gz DUUJJINORAYINU-DGCLKSJQSA-N 2 1 236.359 2.444 20 0 BEADMP C[C@@H](C[NH3+])[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000414935541 386816034 /nfs/dbraw/zinc/81/60/34/386816034.db2.gz BAHZWNBVPNOWSQ-LBPRGKRZSA-N 2 1 241.338 2.185 20 0 BEADMP CC(C)c1nccc(NC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000301286596 386831447 /nfs/dbraw/zinc/83/14/47/386831447.db2.gz VKLGEBZTTQPWOW-LBPRGKRZSA-N 2 1 248.374 2.354 20 0 BEADMP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000414936463 386831683 /nfs/dbraw/zinc/83/16/83/386831683.db2.gz UXVWMGDEXDIMON-IVZWLZJFSA-N 2 1 238.297 2.305 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)Nc1cc[nH+]c(C)c1 ZINC000341117301 386839952 /nfs/dbraw/zinc/83/99/52/386839952.db2.gz JTRJVKKXJBGBIW-CYBMUJFWSA-N 2 1 235.375 2.344 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H]2SC)C1 ZINC000425339401 386840232 /nfs/dbraw/zinc/84/02/32/386840232.db2.gz CMWXOWQZOJUBOP-AGIUHOORSA-N 2 1 242.432 2.202 20 0 BEADMP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C)[NH+]1CCCC1 ZINC000336674454 386850305 /nfs/dbraw/zinc/85/03/05/386850305.db2.gz BGVXWAATOQXBDF-XJFOESAGSA-N 2 1 224.392 2.495 20 0 BEADMP CC1CCC([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000334848849 386896546 /nfs/dbraw/zinc/89/65/46/386896546.db2.gz MEZKBKVAUAHEHM-CXQJBGSLSA-N 2 1 246.345 2.400 20 0 BEADMP CC1(C)CC[C@@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000334849592 386899298 /nfs/dbraw/zinc/89/92/98/386899298.db2.gz WYGKGYQNPZARBV-GHMZBOCLSA-N 2 1 246.345 2.400 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000414942310 386901462 /nfs/dbraw/zinc/90/14/62/386901462.db2.gz KAHFQHWKMGQGAG-UWVGGRQHSA-N 2 1 226.751 2.208 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000414943428 386905044 /nfs/dbraw/zinc/90/50/44/386905044.db2.gz LTLGGEZNIGGYCP-AEGPPILISA-N 2 1 232.371 2.335 20 0 BEADMP C[C@@H](C[NH3+])[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000414943457 386907668 /nfs/dbraw/zinc/90/76/68/386907668.db2.gz LWJFADFJHNOUMW-LBPRGKRZSA-N 2 1 241.338 2.185 20 0 BEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C(C)(C)C ZINC000336762211 386920801 /nfs/dbraw/zinc/92/08/01/386920801.db2.gz NXYWDZLJYGTDLC-NSHDSACASA-N 2 1 210.365 2.273 20 0 BEADMP C[C@H]1C[C@@H](C[N@H+]2CCCC23CCC3)CC[NH2+]1 ZINC000334816834 386943879 /nfs/dbraw/zinc/94/38/79/386943879.db2.gz BXKZKMZPOMJAIM-STQMWFEESA-N 2 1 222.376 2.393 20 0 BEADMP CS[C@H]1CC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000425355358 386966836 /nfs/dbraw/zinc/96/68/36/386966836.db2.gz OLOFRQRUVYTMGE-RYUDHWBXSA-N 2 1 239.388 2.065 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H]2SC)C1 ZINC000425358908 386975224 /nfs/dbraw/zinc/97/52/24/386975224.db2.gz RLZWXSJKVASKTL-AGIUHOORSA-N 2 1 242.432 2.202 20 0 BEADMP C[N@@H+](CCCCCF)C[C@@H]1CCC[NH+](C)C1 ZINC000341883277 386986019 /nfs/dbraw/zinc/98/60/19/386986019.db2.gz NUFWCLGHQZKPSB-ZDUSSCGKSA-N 2 1 230.371 2.400 20 0 BEADMP C[NH+](CCCCCF)C[C@@H]1CCC[N@H+](C)C1 ZINC000341883277 386986025 /nfs/dbraw/zinc/98/60/25/386986025.db2.gz NUFWCLGHQZKPSB-ZDUSSCGKSA-N 2 1 230.371 2.400 20 0 BEADMP C[NH+](CCCCCF)C[C@@H]1CCC[N@@H+](C)C1 ZINC000341883277 386986028 /nfs/dbraw/zinc/98/60/28/386986028.db2.gz NUFWCLGHQZKPSB-ZDUSSCGKSA-N 2 1 230.371 2.400 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313037796 386994450 /nfs/dbraw/zinc/99/44/50/386994450.db2.gz VGVBEDHRRHULNU-NWDGAFQWSA-N 2 1 210.365 2.426 20 0 BEADMP COC[C@H](C)C[NH2+]CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000526118774 387034112 /nfs/dbraw/zinc/03/41/12/387034112.db2.gz ORTBOEDMKQSVOH-RDBSUJKOSA-N 2 1 242.407 2.121 20 0 BEADMP [NH3+]CC[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000070074085 387043834 /nfs/dbraw/zinc/04/38/34/387043834.db2.gz BVNPENLXFKTULE-OAHLLOKOSA-N 2 1 232.371 2.290 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c(C)c1 ZINC000126793270 387049077 /nfs/dbraw/zinc/04/90/77/387049077.db2.gz LLTNFRPXZNJWMF-UKRRQHHQSA-N 2 1 232.371 2.473 20 0 BEADMP [NH3+]CC[C@H]1CCC[N@@H+](CCOc2ccccc2)C1 ZINC000070533448 387067178 /nfs/dbraw/zinc/06/71/78/387067178.db2.gz VPJKLIRPBAFYLU-CQSZACIVSA-N 2 1 248.370 2.126 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1F ZINC000126836251 387059916 /nfs/dbraw/zinc/05/99/16/387059916.db2.gz MQTZHKYWUQRDSI-YPMHNXCESA-N 2 1 236.334 2.303 20 0 BEADMP c1ccc2[nH+]c(NCC[C@@H]3CCC[NH2+]C3)[nH]c2c1 ZINC000110793433 387068753 /nfs/dbraw/zinc/06/87/53/387068753.db2.gz OADWVPUMJQVGHY-NSHDSACASA-N 2 1 244.342 2.365 20 0 BEADMP C[N@@H+](CCC1CC[NH2+]CC1)C(C1CC1)C1CC1 ZINC000359224888 387069284 /nfs/dbraw/zinc/06/92/84/387069284.db2.gz TXJFZVICBZICFM-UHFFFAOYSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000165980508 387072514 /nfs/dbraw/zinc/07/25/14/387072514.db2.gz XEVXFIWERNPMFQ-UKRRQHHQSA-N 2 1 232.371 2.288 20 0 BEADMP COCc1cccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000126929612 387074456 /nfs/dbraw/zinc/07/44/56/387074456.db2.gz SABPAEWTOLOIJM-SWLSCSKDSA-N 2 1 248.370 2.002 20 0 BEADMP CC[C@H](COC)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000246366416 387079886 /nfs/dbraw/zinc/07/98/86/387079886.db2.gz LUMXGLFRGMPURO-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000111695435 387084973 /nfs/dbraw/zinc/08/49/73/387084973.db2.gz LUGQPGHOCHXCEI-NWDGAFQWSA-N 2 1 236.334 2.385 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000111695435 387084974 /nfs/dbraw/zinc/08/49/74/387084974.db2.gz LUGQPGHOCHXCEI-NWDGAFQWSA-N 2 1 236.334 2.385 20 0 BEADMP C[N@H+](CCC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000070914787 387085502 /nfs/dbraw/zinc/08/55/02/387085502.db2.gz JSMROGRWOMSZFU-ULKQDVFKSA-N 2 1 236.281 2.154 20 0 BEADMP C[N@@H+](CCC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000070914787 387085507 /nfs/dbraw/zinc/08/55/07/387085507.db2.gz JSMROGRWOMSZFU-ULKQDVFKSA-N 2 1 236.281 2.154 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]21 ZINC000228476401 387087802 /nfs/dbraw/zinc/08/78/02/387087802.db2.gz WBTDBTBXAMNBMC-BPLDGKMQSA-N 2 1 248.345 2.385 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000335006191 387100560 /nfs/dbraw/zinc/10/05/60/387100560.db2.gz BUSLEZPFNVRCLW-DGCLKSJQSA-N 2 1 222.376 2.297 20 0 BEADMP C[C@@H]([NH2+]C1CC(C)(F)C1)c1c[nH+]ccc1N ZINC000335007504 387103531 /nfs/dbraw/zinc/10/35/31/387103531.db2.gz OXICFLUFGYXVCA-YDNLMGDJSA-N 2 1 223.295 2.035 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)Cc1ccoc1 ZINC000423299682 387128959 /nfs/dbraw/zinc/12/89/59/387128959.db2.gz QKPSVWAGYZAKRZ-DGCLKSJQSA-N 2 1 224.348 2.318 20 0 BEADMP CCC[NH2+]CC[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000423309321 387145462 /nfs/dbraw/zinc/14/54/62/387145462.db2.gz KZNMKTANVDBCGU-OLZOCXBDSA-N 2 1 242.407 2.168 20 0 BEADMP CCC[NH2+]CC[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000423309322 387146516 /nfs/dbraw/zinc/14/65/16/387146516.db2.gz KZNMKTANVDBCGU-QWHCGFSZSA-N 2 1 242.407 2.168 20 0 BEADMP [NH3+][C@H](C[NH2+][C@H]1CCc2cc(F)ccc21)C1CC1 ZINC000423310971 387149281 /nfs/dbraw/zinc/14/92/81/387149281.db2.gz BBGSEXUXXSTHEE-KGLIPLIRSA-N 2 1 234.318 2.140 20 0 BEADMP Cc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cs1 ZINC000423312865 387150855 /nfs/dbraw/zinc/15/08/55/387150855.db2.gz DXBHLMULUFFKOW-SKDRFNHKSA-N 2 1 224.373 2.444 20 0 BEADMP Cc1cccc2c1CC[C@H]2[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423313446 387152518 /nfs/dbraw/zinc/15/25/18/387152518.db2.gz FUCPGLOQAUNTEX-LSDHHAIUSA-N 2 1 230.355 2.309 20 0 BEADMP COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](C)C[NH3+] ZINC000423316900 387156037 /nfs/dbraw/zinc/15/60/37/387156037.db2.gz BPCYENNSRJQPHE-QMTHXVAHSA-N 2 1 234.343 2.009 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000423318747 387158298 /nfs/dbraw/zinc/15/82/98/387158298.db2.gz DPBHUBKUJLRXTG-BDAKNGLRSA-N 2 1 224.373 2.235 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000423319357 387160066 /nfs/dbraw/zinc/16/00/66/387160066.db2.gz FKMJXBASKPGZDR-RKDXNWHRSA-N 2 1 244.285 2.286 20 0 BEADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccsc1 ZINC000423319656 387160677 /nfs/dbraw/zinc/16/06/77/387160677.db2.gz LUNLEOHCZWQONF-GZMMTYOYSA-N 2 1 210.346 2.136 20 0 BEADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccsc1 ZINC000423319658 387162901 /nfs/dbraw/zinc/16/29/01/387162901.db2.gz LUNLEOHCZWQONF-KWQFWETISA-N 2 1 210.346 2.136 20 0 BEADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423321641 387164577 /nfs/dbraw/zinc/16/45/77/387164577.db2.gz NGLQUBYRIBYECH-RISCZKNCSA-N 2 1 218.344 2.383 20 0 BEADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000423323229 387166301 /nfs/dbraw/zinc/16/63/01/387166301.db2.gz OQXXLLWYNYAUGU-GXFFZTMASA-N 2 1 204.317 2.075 20 0 BEADMP CC[C@@H]([NH2+][C@H](C)C[NH3+])c1cccc(C)c1 ZINC000423324439 387167068 /nfs/dbraw/zinc/16/70/68/387167068.db2.gz KXKIRIHFUHGTIT-DGCLKSJQSA-N 2 1 206.333 2.383 20 0 BEADMP CN(Cc1ncc[nH]1)c1cc[nH+]cc1Cl ZINC000336342139 387172813 /nfs/dbraw/zinc/17/28/13/387172813.db2.gz DDSOBNOBIJMARX-UHFFFAOYSA-N 2 1 222.679 2.095 20 0 BEADMP Cc1c[nH+]ccc1NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000359835367 387174365 /nfs/dbraw/zinc/17/43/65/387174365.db2.gz JKRYCIIZJIHIFA-AWEZNQCLSA-N 2 1 247.386 2.344 20 0 BEADMP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423330635 387175338 /nfs/dbraw/zinc/17/53/38/387175338.db2.gz PLWIEMWQZZJNME-GXTWGEPZSA-N 2 1 248.370 2.234 20 0 BEADMP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423330638 387176771 /nfs/dbraw/zinc/17/67/71/387176771.db2.gz PLWIEMWQZZJNME-TZMCWYRMSA-N 2 1 248.370 2.234 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000250924170 387177808 /nfs/dbraw/zinc/17/78/08/387177808.db2.gz SNISPNVAIXQXNM-CABCVRRESA-N 2 1 245.370 2.106 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000250924170 387177810 /nfs/dbraw/zinc/17/78/10/387177810.db2.gz SNISPNVAIXQXNM-CABCVRRESA-N 2 1 245.370 2.106 20 0 BEADMP Cc1ccc([C@@H]([NH2+][C@H](C)C[NH3+])C2CC2)cc1 ZINC000423332649 387178176 /nfs/dbraw/zinc/17/81/76/387178176.db2.gz QWJUUGYMUBWNRM-BXUZGUMPSA-N 2 1 218.344 2.383 20 0 BEADMP Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc[nH+]1 ZINC000229570615 387178798 /nfs/dbraw/zinc/17/87/98/387178798.db2.gz QNOOKMGNGHWKDP-AAEUAGOBSA-N 2 1 219.332 2.285 20 0 BEADMP Cc1ccsc1[C@@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423332460 387178901 /nfs/dbraw/zinc/17/89/01/387178901.db2.gz VFOXDHOCKMIGFM-KOLCDFICSA-N 2 1 224.373 2.444 20 0 BEADMP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc[nH+]1 ZINC000229570591 387179723 /nfs/dbraw/zinc/17/97/23/387179723.db2.gz QNOOKMGNGHWKDP-DGCLKSJQSA-N 2 1 219.332 2.285 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000423334906 387180173 /nfs/dbraw/zinc/18/01/73/387180173.db2.gz SXQHQARAVFJWRO-BREBYQMCSA-N 2 1 204.317 2.172 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+](C)CCCc2c[nH+]cn2C)C1 ZINC000571891781 387193902 /nfs/dbraw/zinc/19/39/02/387193902.db2.gz BFSQSCYPAYJQQR-CHWSQXEVSA-N 2 1 235.375 2.473 20 0 BEADMP C[C@@H]1CC[C@@H]([N@@H+](C)CCCc2c[nH+]cn2C)C1 ZINC000571891781 387193906 /nfs/dbraw/zinc/19/39/06/387193906.db2.gz BFSQSCYPAYJQQR-CHWSQXEVSA-N 2 1 235.375 2.473 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000423302271 387135074 /nfs/dbraw/zinc/13/50/74/387135074.db2.gz VGDXJOYFKRWNDP-MGPQQGTHSA-N 2 1 242.407 2.299 20 0 BEADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423302555 387135408 /nfs/dbraw/zinc/13/54/08/387135408.db2.gz JWCQKRMKPLXLAF-SDDRHHMPSA-N 2 1 210.365 2.153 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H]1COCC ZINC000423302629 387135454 /nfs/dbraw/zinc/13/54/54/387135454.db2.gz VYDQXCJNAXTKBK-MJBXVCDLSA-N 2 1 242.407 2.299 20 0 BEADMP COc1ccc([C@H]([NH2+][C@H](C)C[NH3+])C(C)C)cc1 ZINC000423342236 387192237 /nfs/dbraw/zinc/19/22/37/387192237.db2.gz YRSKUIBECDJYMX-BXUZGUMPSA-N 2 1 236.359 2.329 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@@H](C)C[NH3+])c(C)c1 ZINC000162025820 387206465 /nfs/dbraw/zinc/20/64/65/387206465.db2.gz PXWHEVDHEXYJCT-LBPRGKRZSA-N 2 1 206.333 2.049 20 0 BEADMP c1cc2c(o1)CCC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423355669 387208110 /nfs/dbraw/zinc/20/81/10/387208110.db2.gz FTNGREQQHMAIPA-DGCLKSJQSA-N 2 1 234.343 2.389 20 0 BEADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C[NH3+])[C@@H](C)C2 ZINC000423357358 387208809 /nfs/dbraw/zinc/20/88/09/387208809.db2.gz ACYZFOPSEBLXPQ-COPLHBTASA-N 2 1 218.344 2.165 20 0 BEADMP C[C@H](C[NH3+])[NH2+]Cc1cc2ccccc2s1 ZINC000162030684 387209809 /nfs/dbraw/zinc/20/98/09/387209809.db2.gz MLZCZPCCTUUILM-SECBINFHSA-N 2 1 220.341 2.338 20 0 BEADMP Cc1ccncc1[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423357916 387210200 /nfs/dbraw/zinc/21/02/00/387210200.db2.gz IYSWUYQKQJIYHT-QWHCGFSZSA-N 2 1 233.359 2.183 20 0 BEADMP COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](C)C[NH3+] ZINC000423358539 387210422 /nfs/dbraw/zinc/21/04/22/387210422.db2.gz BPCYENNSRJQPHE-IINYFYTJSA-N 2 1 234.343 2.009 20 0 BEADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423364686 387215761 /nfs/dbraw/zinc/21/57/61/387215761.db2.gz OXQMUTHSRIGVJI-VOAKCMCISA-N 2 1 224.392 2.399 20 0 BEADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cncc(F)c1 ZINC000423365787 387218187 /nfs/dbraw/zinc/21/81/87/387218187.db2.gz PVFJEQHVEKOZQL-GXFFZTMASA-N 2 1 237.322 2.013 20 0 BEADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cncc(F)c1 ZINC000423365788 387219540 /nfs/dbraw/zinc/21/95/40/387219540.db2.gz PVFJEQHVEKOZQL-ZWNOBZJWSA-N 2 1 237.322 2.013 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c(C)c1 ZINC000094338950 387222997 /nfs/dbraw/zinc/22/29/97/387222997.db2.gz LTOCQTFKTFIULR-UKRRQHHQSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1ccc(C[C@H]([NH2+][C@@H](C)C[NH3+])C(C)C)cc1 ZINC000423369370 387223867 /nfs/dbraw/zinc/22/38/67/387223867.db2.gz OOAARQWVFGQTAO-ZFWWWQNUSA-N 2 1 234.387 2.499 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)o1 ZINC000423371172 387223974 /nfs/dbraw/zinc/22/39/74/387223974.db2.gz USGDYNDRVYLMSJ-NWDGAFQWSA-N 2 1 222.332 2.381 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)[C@H]1C[C@H]1C ZINC000423371752 387226479 /nfs/dbraw/zinc/22/64/79/387226479.db2.gz AUEXVVVRCPVCDE-FVCCEPFGSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])C(C)(C)c1ccccc1 ZINC000423373715 387229706 /nfs/dbraw/zinc/22/97/06/387229706.db2.gz SBRBRHTUFNLAKG-NWDGAFQWSA-N 2 1 220.360 2.290 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000423373716 387230334 /nfs/dbraw/zinc/23/03/34/387230334.db2.gz SBRBRHTUFNLAKG-RYUDHWBXSA-N 2 1 220.360 2.290 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000353578852 387232127 /nfs/dbraw/zinc/23/21/27/387232127.db2.gz TUDYZPCAZPMTJP-MCIONIFRSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000353578852 387232132 /nfs/dbraw/zinc/23/21/32/387232132.db2.gz TUDYZPCAZPMTJP-MCIONIFRSA-N 2 1 242.407 2.120 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000423400203 387233874 /nfs/dbraw/zinc/23/38/74/387233874.db2.gz QARNTNGNXSYQTE-OBJOEFQTSA-N 2 1 233.359 2.045 20 0 BEADMP C[NH2+][C@@H](C)C[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000423400859 387235308 /nfs/dbraw/zinc/23/53/08/387235308.db2.gz VIPGREXGSLBIMT-ZFWWWQNUSA-N 2 1 234.387 2.451 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C2CC(F)(F)C2)[C@@H]2CCC[C@@H]21 ZINC000353589578 387236815 /nfs/dbraw/zinc/23/68/15/387236815.db2.gz QPASCCIQXJCPGO-SRVKXCTJSA-N 2 1 244.329 2.247 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000423405229 387240053 /nfs/dbraw/zinc/24/00/53/387240053.db2.gz SXQHQARAVFJWRO-KWBADKCTSA-N 2 1 204.317 2.172 20 0 BEADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(Cl)c1 ZINC000423420528 387248037 /nfs/dbraw/zinc/24/80/37/387248037.db2.gz BMQLSHZQCPTVJN-KMLBCRHOSA-N 2 1 236.746 2.208 20 0 BEADMP Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423427169 387251890 /nfs/dbraw/zinc/25/18/90/387251890.db2.gz IIIDVACFTXLHRU-BARDWOONSA-N 2 1 246.329 2.011 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000423463482 387311077 /nfs/dbraw/zinc/31/10/77/387311077.db2.gz LGERMCGMVQEJBK-ONGXEEELSA-N 2 1 240.322 2.222 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C ZINC000423463696 387313081 /nfs/dbraw/zinc/31/30/81/387313081.db2.gz LMYQMOZVGUMEBK-LJWDBELGSA-N 2 1 236.334 2.386 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1ccccc1 ZINC000423467662 387315728 /nfs/dbraw/zinc/31/57/28/387315728.db2.gz NZKSLINVPWGMBA-QWHCGFSZSA-N 2 1 206.333 2.465 20 0 BEADMP CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423376984 387260024 /nfs/dbraw/zinc/26/00/24/387260024.db2.gz VJMJNXAZTYXRPF-NWDGAFQWSA-N 2 1 236.359 2.473 20 0 BEADMP COCCC[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423379714 387261673 /nfs/dbraw/zinc/26/16/73/387261673.db2.gz GUBIERMILJOULR-OLZOCXBDSA-N 2 1 242.407 2.169 20 0 BEADMP Cc1ccncc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000423380299 387261932 /nfs/dbraw/zinc/26/19/32/387261932.db2.gz NSKCPINZBOMLJV-AVGNSLFASA-N 2 1 233.359 2.181 20 0 BEADMP COC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000423379472 387263143 /nfs/dbraw/zinc/26/31/43/387263143.db2.gz LXFOLGQNHUBRKI-YUELXQCFSA-N 2 1 248.370 2.104 20 0 BEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccoc2C)C1 ZINC000321507999 387267679 /nfs/dbraw/zinc/26/76/79/387267679.db2.gz HNHUUYWXCPWBQK-GFCCVEGCSA-N 2 1 222.332 2.019 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccoc2C)C1 ZINC000321507999 387267683 /nfs/dbraw/zinc/26/76/83/387267683.db2.gz HNHUUYWXCPWBQK-GFCCVEGCSA-N 2 1 222.332 2.019 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])[C@@H]1C[C@H]1c1ccccc1 ZINC000423383782 387268948 /nfs/dbraw/zinc/26/89/48/387268948.db2.gz FFMWKQWEEDPBLC-XCCSTKFXSA-N 2 1 218.344 2.115 20 0 BEADMP COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423386753 387271506 /nfs/dbraw/zinc/27/15/06/387271506.db2.gz ROSNDGGNVRIKSP-RWMBFGLXSA-N 2 1 248.370 2.486 20 0 BEADMP CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000423433342 387283891 /nfs/dbraw/zinc/28/38/91/387283891.db2.gz CFOPZZZHFGUMMZ-MJVIPROJSA-N 2 1 236.359 2.472 20 0 BEADMP CSc1ccccc1[C@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423437028 387285821 /nfs/dbraw/zinc/28/58/21/387285821.db2.gz QFUNUHJQTPQOBH-PQFRYHKHSA-N 2 1 248.395 2.277 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000423440291 387290382 /nfs/dbraw/zinc/29/03/82/387290382.db2.gz IKHGBIBZKSTULI-MWODSPESSA-N 2 1 222.307 2.138 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)[C@H](C)[NH3+] ZINC000423440293 387290444 /nfs/dbraw/zinc/29/04/44/387290444.db2.gz IKHGBIBZKSTULI-RWEMILLDSA-N 2 1 222.307 2.138 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000423440101 387291170 /nfs/dbraw/zinc/29/11/70/387291170.db2.gz AMSRVYMJWWJWCG-VXGBXAGGSA-N 2 1 236.359 2.392 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1csc(C)c1 ZINC000423440071 387291346 /nfs/dbraw/zinc/29/13/46/387291346.db2.gz AJZWYZRZWBZREQ-ONGXEEELSA-N 2 1 212.362 2.444 20 0 BEADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000423444268 387293560 /nfs/dbraw/zinc/29/35/60/387293560.db2.gz LNLZKBSTSDCOQO-PGUXBMHVSA-N 2 1 248.370 2.398 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2sccc21 ZINC000423445852 387295719 /nfs/dbraw/zinc/29/57/19/387295719.db2.gz CCHNRAXOUSEOEO-BQSNPHCVSA-N 2 1 248.395 2.494 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000423447422 387297530 /nfs/dbraw/zinc/29/75/30/387297530.db2.gz OZKLNTJBNJPXND-QSDJMHMYSA-N 2 1 236.334 2.384 20 0 BEADMP COc1cc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])ccc1F ZINC000423448170 387298393 /nfs/dbraw/zinc/29/83/93/387298393.db2.gz PWYAJYCYBNRANC-AEJSXWLSSA-N 2 1 240.322 2.221 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2c1cccc2OC ZINC000423455206 387301451 /nfs/dbraw/zinc/30/14/51/387301451.db2.gz BZYPJYJNCHXJMG-MFKMUULPSA-N 2 1 234.343 2.009 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)COC2)[C@H](C)[NH3+] ZINC000423454977 387302435 /nfs/dbraw/zinc/30/24/35/387302435.db2.gz ZUPAQJOWVOIVBL-AXFHLTTASA-N 2 1 234.343 2.103 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2c1cccc2F ZINC000423456103 387303164 /nfs/dbraw/zinc/30/31/64/387303164.db2.gz DEYMDEIHPOPXHA-NOZJJQNGSA-N 2 1 222.307 2.140 20 0 BEADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@@H](C)S1 ZINC000162061188 387308867 /nfs/dbraw/zinc/30/88/67/387308867.db2.gz VNOFLIJHDVSIMK-UPJWGTAASA-N 2 1 242.432 2.297 20 0 BEADMP CCC(CC)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000393775891 387309239 /nfs/dbraw/zinc/30/92/39/387309239.db2.gz XJSQXLUFTSVREQ-OKILXGFUSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)C1CCSCC1 ZINC000643501801 387354871 /nfs/dbraw/zinc/35/48/71/387354871.db2.gz QCNRMVBHKAPJFW-WCQYABFASA-N 2 1 242.432 2.250 20 0 BEADMP CC[C@H]1C[C@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)CCO1 ZINC000648590279 387359856 /nfs/dbraw/zinc/35/98/56/387359856.db2.gz CFHZLLANZGWQEZ-MJBXVCDLSA-N 2 1 242.407 2.262 20 0 BEADMP CC[C@H]1C[C@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)CCO1 ZINC000648590279 387359859 /nfs/dbraw/zinc/35/98/59/387359859.db2.gz CFHZLLANZGWQEZ-MJBXVCDLSA-N 2 1 242.407 2.262 20 0 BEADMP C([NH2+][C@H]1CCC12CCCC2)[C@@H]1CCCC[NH2+]1 ZINC000643502546 387367032 /nfs/dbraw/zinc/36/70/32/387367032.db2.gz JTSRJYQNRHCKLN-STQMWFEESA-N 2 1 222.376 2.441 20 0 BEADMP CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2c[nH+]ccc2N)CCO1 ZINC000423558365 387376002 /nfs/dbraw/zinc/37/60/02/387376002.db2.gz SJAWENNSDYTSGD-GRYCIOLGSA-N 2 1 249.358 2.102 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000423476487 387324392 /nfs/dbraw/zinc/32/43/92/387324392.db2.gz SMWJAAIMPBKNGX-YPMHNXCESA-N 2 1 222.307 2.140 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000423483427 387329065 /nfs/dbraw/zinc/32/90/65/387329065.db2.gz XTSJWOUEDPKQBP-OUJBWJOFSA-N 2 1 234.343 2.095 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(OC)c1 ZINC000423484526 387330046 /nfs/dbraw/zinc/33/00/46/387330046.db2.gz YOADTNPJWSPKEV-ZYHUDNBSSA-N 2 1 222.332 2.083 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000515125240 387338148 /nfs/dbraw/zinc/33/81/48/387338148.db2.gz KCGJRBXBXVGYOR-DGTMBMJNSA-N 2 1 240.391 2.015 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000515125240 387338152 /nfs/dbraw/zinc/33/81/52/387338152.db2.gz KCGJRBXBXVGYOR-DGTMBMJNSA-N 2 1 240.391 2.015 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CC[N@H+]1C ZINC000309805531 387343677 /nfs/dbraw/zinc/34/36/77/387343677.db2.gz SBQALMADEAEYSJ-YPMHNXCESA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000321989891 387343847 /nfs/dbraw/zinc/34/38/47/387343847.db2.gz DWWGNUCUHUVTGH-JHJVBQTASA-N 2 1 212.381 2.351 20 0 BEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)[C@H]1C[C@H]1C ZINC000423509572 387344647 /nfs/dbraw/zinc/34/46/47/387344647.db2.gz RPPNKHLJOOYRPH-RSLMWUCJSA-N 2 1 210.365 2.138 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)C1CC1 ZINC000423508774 387344687 /nfs/dbraw/zinc/34/46/87/387344687.db2.gz JGROYUMJGDAQTA-TUKIKUTGSA-N 2 1 230.355 2.130 20 0 BEADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)s1 ZINC000643500827 387346196 /nfs/dbraw/zinc/34/61/96/387346196.db2.gz XZDNXLKLEDCIRG-KOLCDFICSA-N 2 1 239.388 2.102 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](CC)C[C@@H](C)OC ZINC000361570465 387495555 /nfs/dbraw/zinc/49/55/55/387495555.db2.gz WOIJZZLLVLCDOQ-CYBMUJFWSA-N 2 1 230.396 2.075 20 0 BEADMP CCc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cn1 ZINC000352811447 387502693 /nfs/dbraw/zinc/50/26/93/387502693.db2.gz DHJRTJKHAYSZOX-LBPRGKRZSA-N 2 1 235.375 2.074 20 0 BEADMP [NH3+]C1(C[NH2+]CC2(F)CC2)CCCCCC1 ZINC000520762033 387543244 /nfs/dbraw/zinc/54/32/44/387543244.db2.gz YVYXIHFMZDIPTJ-UHFFFAOYSA-N 2 1 214.328 2.130 20 0 BEADMP COC[C@H](CC(C)C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000361772908 387533816 /nfs/dbraw/zinc/53/38/16/387533816.db2.gz ZAFCOAFTZRDVQL-IHRRRGAJSA-N 2 1 242.407 2.120 20 0 BEADMP COC[C@H](CC(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000361772908 387533817 /nfs/dbraw/zinc/53/38/17/387533817.db2.gz ZAFCOAFTZRDVQL-IHRRRGAJSA-N 2 1 242.407 2.120 20 0 BEADMP CCc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000352778740 387477071 /nfs/dbraw/zinc/47/70/71/387477071.db2.gz WJPWTWWNHLRVCV-WFASDCNBSA-N 2 1 247.386 2.216 20 0 BEADMP CCc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000352778740 387477075 /nfs/dbraw/zinc/47/70/75/387477075.db2.gz WJPWTWWNHLRVCV-WFASDCNBSA-N 2 1 247.386 2.216 20 0 BEADMP CCc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cn1 ZINC000352781218 387479118 /nfs/dbraw/zinc/47/91/18/387479118.db2.gz SGWYLLMTQFNKOZ-AWEZNQCLSA-N 2 1 247.386 2.075 20 0 BEADMP CCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CC)C2)cn1 ZINC000352781218 387479124 /nfs/dbraw/zinc/47/91/24/387479124.db2.gz SGWYLLMTQFNKOZ-AWEZNQCLSA-N 2 1 247.386 2.075 20 0 BEADMP C(C[NH2+][C@H]1CCCC[C@@H]1C1CC1)[NH2+]C1CC1 ZINC000643507714 387479293 /nfs/dbraw/zinc/47/92/93/387479293.db2.gz NNXXWUOEGHKYJA-KGLIPLIRSA-N 2 1 222.376 2.297 20 0 BEADMP FCCC[C@@H]1CCC[C@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507988 387481783 /nfs/dbraw/zinc/48/17/83/387481783.db2.gz YIZSMQPTKZRPLW-WCQYABFASA-N 2 1 228.355 2.246 20 0 BEADMP CC(C)C[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000396780027 387492816 /nfs/dbraw/zinc/49/28/16/387492816.db2.gz URZICZSHJUQPIL-KGLIPLIRSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCSC[C@@H](C)C1 ZINC000379553237 387586050 /nfs/dbraw/zinc/58/60/50/387586050.db2.gz VUEYIAAWISJDKH-RYUDHWBXSA-N 2 1 230.421 2.045 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCSC[C@@H](C)C1 ZINC000379553236 387586194 /nfs/dbraw/zinc/58/61/94/387586194.db2.gz VUEYIAAWISJDKH-NWDGAFQWSA-N 2 1 230.421 2.045 20 0 BEADMP C[C@](C[NH3+])([NH2+]Cc1ccc(F)cc1)C1CC1 ZINC000430545683 387628361 /nfs/dbraw/zinc/62/83/61/387628361.db2.gz IKYGQJZIWQFGBI-CYBMUJFWSA-N 2 1 222.307 2.043 20 0 BEADMP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(F)CC2)[C@H](C)C1 ZINC000527511462 387591143 /nfs/dbraw/zinc/59/11/43/387591143.db2.gz RUJOHUIZRCQTFU-VXGBXAGGSA-N 2 1 228.355 2.151 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(F)CC2)[C@H](C)C1 ZINC000527511462 387591146 /nfs/dbraw/zinc/59/11/46/387591146.db2.gz RUJOHUIZRCQTFU-VXGBXAGGSA-N 2 1 228.355 2.151 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(F)CC2)[C@H](C)C1 ZINC000527511462 387591150 /nfs/dbraw/zinc/59/11/50/387591150.db2.gz RUJOHUIZRCQTFU-VXGBXAGGSA-N 2 1 228.355 2.151 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(F)CC2)[C@H](C)C1 ZINC000527511462 387591153 /nfs/dbraw/zinc/59/11/53/387591153.db2.gz RUJOHUIZRCQTFU-VXGBXAGGSA-N 2 1 228.355 2.151 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c(C)n1 ZINC000643511832 387594607 /nfs/dbraw/zinc/59/46/07/387594607.db2.gz UOOCBNSGAMVXCO-FZMZJTMJSA-N 2 1 235.375 2.332 20 0 BEADMP CC[C@@H](Cc1cccs1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000643512626 387596592 /nfs/dbraw/zinc/59/65/92/387596592.db2.gz LPBQKMLYLAAVEL-WCQYABFASA-N 2 1 238.400 2.396 20 0 BEADMP CC(C)([NH3+])C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000643513137 387597188 /nfs/dbraw/zinc/59/71/88/387597188.db2.gz MZKBXJQWCDFGSP-LBPRGKRZSA-N 2 1 240.297 2.279 20 0 BEADMP C[C@@H]([NH2+]Cc1cccc(C2CC2)c1)[C@H](C)[NH3+] ZINC000422551352 387598452 /nfs/dbraw/zinc/59/84/52/387598452.db2.gz DKJLINGCUANIPC-WDEREUQCSA-N 2 1 218.344 2.389 20 0 BEADMP CC[C@H](COC)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000376023748 387602935 /nfs/dbraw/zinc/60/29/35/387602935.db2.gz ZQSXNVUWHQPCHI-IYXRBSQSSA-N 2 1 240.391 2.018 20 0 BEADMP CCOC[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000376031428 387604260 /nfs/dbraw/zinc/60/42/60/387604260.db2.gz WAJJIVHTWWUHFR-HSBZDZAISA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)OCCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422639443 387611703 /nfs/dbraw/zinc/61/17/03/387611703.db2.gz STWJQDBILPSPEE-MJBXVCDLSA-N 2 1 242.407 2.107 20 0 BEADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccn1 ZINC000527531755 387621936 /nfs/dbraw/zinc/62/19/36/387621936.db2.gz BSOYHYXLQPRGQY-UHFFFAOYSA-N 2 1 247.386 2.164 20 0 BEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccnc(C)c2)C1 ZINC000527533018 387622433 /nfs/dbraw/zinc/62/24/33/387622433.db2.gz HBFYBXKAMPIDOL-OAHLLOKOSA-N 2 1 247.386 2.164 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccnc(C)c2)C1 ZINC000527533018 387622436 /nfs/dbraw/zinc/62/24/36/387622436.db2.gz HBFYBXKAMPIDOL-OAHLLOKOSA-N 2 1 247.386 2.164 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccnc(C)c2)C1 ZINC000527533018 387622439 /nfs/dbraw/zinc/62/24/39/387622439.db2.gz HBFYBXKAMPIDOL-OAHLLOKOSA-N 2 1 247.386 2.164 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccnc(C)c2)C1 ZINC000527533018 387622444 /nfs/dbraw/zinc/62/24/44/387622444.db2.gz HBFYBXKAMPIDOL-OAHLLOKOSA-N 2 1 247.386 2.164 20 0 BEADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccccc1N(C)C ZINC000430554170 387626596 /nfs/dbraw/zinc/62/65/96/387626596.db2.gz VDHLKGPJKGPMGG-HNNXBMFYSA-N 2 1 249.402 2.216 20 0 BEADMP Cc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)ccn1 ZINC000527534641 387627733 /nfs/dbraw/zinc/62/77/33/387627733.db2.gz OBYJSQYWQRPOLL-HNNXBMFYSA-N 2 1 247.386 2.164 20 0 BEADMP Cc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)ccn1 ZINC000527534641 387627734 /nfs/dbraw/zinc/62/77/34/387627734.db2.gz OBYJSQYWQRPOLL-HNNXBMFYSA-N 2 1 247.386 2.164 20 0 BEADMP Cc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)ccn1 ZINC000527534641 387627740 /nfs/dbraw/zinc/62/77/40/387627740.db2.gz OBYJSQYWQRPOLL-HNNXBMFYSA-N 2 1 247.386 2.164 20 0 BEADMP Cc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)ccn1 ZINC000527534641 387627743 /nfs/dbraw/zinc/62/77/43/387627743.db2.gz OBYJSQYWQRPOLL-HNNXBMFYSA-N 2 1 247.386 2.164 20 0 BEADMP CCc1ccc(CC[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000430610690 387633957 /nfs/dbraw/zinc/63/39/57/387633957.db2.gz LJIKLRCNLFBMFW-INIZCTEOSA-N 2 1 246.398 2.462 20 0 BEADMP C[C@@H]1CC(CC[N@@H+]2CC[C@@H]([NH3+])C2)C[C@@H](C)C1 ZINC000430640449 387635471 /nfs/dbraw/zinc/63/54/71/387635471.db2.gz KFTFVBNZEUZAIF-SGMGOOAPSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H]1CC(CC[N@H+]2CC[C@@H]([NH3+])C2)C[C@@H](C)C1 ZINC000430640449 387635475 /nfs/dbraw/zinc/63/54/75/387635475.db2.gz KFTFVBNZEUZAIF-SGMGOOAPSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@H]1C[C@H](CC[N@@H+]2CC[C@H]([NH3+])C2)C[C@@H](C)C1 ZINC000430640448 387636240 /nfs/dbraw/zinc/63/62/40/387636240.db2.gz KFTFVBNZEUZAIF-DGAVXFQQSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@H]1C[C@H](CC[N@H+]2CC[C@H]([NH3+])C2)C[C@@H](C)C1 ZINC000430640448 387636247 /nfs/dbraw/zinc/63/62/47/387636247.db2.gz KFTFVBNZEUZAIF-DGAVXFQQSA-N 2 1 224.392 2.482 20 0 BEADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2CCC=CO2)CC1 ZINC000376475692 387638154 /nfs/dbraw/zinc/63/81/54/387638154.db2.gz BPNLQFIYHSROMQ-KGLIPLIRSA-N 2 1 238.375 2.095 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1ccccc1 ZINC000422732468 387640604 /nfs/dbraw/zinc/64/06/04/387640604.db2.gz OKWPIFQVLQEABS-HIFRSBDPSA-N 2 1 232.371 2.207 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000527632672 387644023 /nfs/dbraw/zinc/64/40/23/387644023.db2.gz UEMLCQSOZRTUET-CQDKDKBSSA-N 2 1 236.403 2.495 20 0 BEADMP COc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422737598 387644690 /nfs/dbraw/zinc/64/46/90/387644690.db2.gz ZXKWVJGEFIKYNL-LSDHHAIUSA-N 2 1 248.370 2.445 20 0 BEADMP COc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422737593 387646254 /nfs/dbraw/zinc/64/62/54/387646254.db2.gz ZXKWVJGEFIKYNL-GJZGRUSLSA-N 2 1 248.370 2.445 20 0 BEADMP Cc1cccnc1[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)C(C)C ZINC000422748785 387652966 /nfs/dbraw/zinc/65/29/66/387652966.db2.gz WEOVGKJLRQRPML-OCCSQVGLSA-N 2 1 247.386 2.285 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527667991 387653948 /nfs/dbraw/zinc/65/39/48/387653948.db2.gz SOTNFLBSYZJUIK-OPYWOCCESA-N 2 1 236.403 2.493 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527667991 387653954 /nfs/dbraw/zinc/65/39/54/387653954.db2.gz SOTNFLBSYZJUIK-OPYWOCCESA-N 2 1 236.403 2.493 20 0 BEADMP Cc1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)ccn1 ZINC000527668225 387654614 /nfs/dbraw/zinc/65/46/14/387654614.db2.gz AKQPKEUOGCRVSY-GJZGRUSLSA-N 2 1 247.386 2.352 20 0 BEADMP Cc1cc(C)cc(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422794153 387695515 /nfs/dbraw/zinc/69/55/15/387695515.db2.gz YRAFCZSDEPLYIC-HOCLYGCPSA-N 2 1 246.398 2.434 20 0 BEADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000422756224 387658801 /nfs/dbraw/zinc/65/88/01/387658801.db2.gz HLFAORZFNLTDBU-YNEHKIRRSA-N 3 1 243.439 2.068 20 0 BEADMP CCC[C@H](CC)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000125483829 387659072 /nfs/dbraw/zinc/65/90/72/387659072.db2.gz KSEDWRBMDLJQQP-MJBXVCDLSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[C@H](CC)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000125483829 387659076 /nfs/dbraw/zinc/65/90/76/387659076.db2.gz KSEDWRBMDLJQQP-MJBXVCDLSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527656711 387662171 /nfs/dbraw/zinc/66/21/71/387662171.db2.gz JBDSYYVYTCHZHH-NEBZKDRISA-N 2 1 236.403 2.352 20 0 BEADMP CCc1ccc(CC[N@H+]2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000430927760 387662630 /nfs/dbraw/zinc/66/26/30/387662630.db2.gz RPGNKVPAWAFSMM-INIZCTEOSA-N 2 1 246.398 2.333 20 0 BEADMP C[C@H]([NH2+]CCc1cccs1)c1c[nH+]ccc1N ZINC000422759526 387662858 /nfs/dbraw/zinc/66/28/58/387662858.db2.gz PLQTYBHBWCKQAC-JTQLQIEISA-N 2 1 247.367 2.449 20 0 BEADMP CCc1ccc(CC[N@H+]2CC[C@H](C[NH2+]C)C2)cc1 ZINC000430927761 387662900 /nfs/dbraw/zinc/66/29/00/387662900.db2.gz RPGNKVPAWAFSMM-MRXNPFEDSA-N 2 1 246.398 2.333 20 0 BEADMP C[C@H](CCC[NH3+])[NH2+][C@H](CCN(C)C)C(C)(C)C ZINC000422760056 387663139 /nfs/dbraw/zinc/66/31/39/387663139.db2.gz LMISRIDRBMPSST-CHWSQXEVSA-N 2 1 243.439 2.070 20 0 BEADMP Cc1cc(C)cc(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422794152 387695710 /nfs/dbraw/zinc/69/57/10/387695710.db2.gz YRAFCZSDEPLYIC-GOEBONIOSA-N 2 1 246.398 2.434 20 0 BEADMP CC(C)[C@H](C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422773507 387671392 /nfs/dbraw/zinc/67/13/92/387671392.db2.gz UFYCKZKMFIFJAJ-GHMZBOCLSA-N 2 1 221.348 2.437 20 0 BEADMP CC[C@H](COC)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000125971374 387671537 /nfs/dbraw/zinc/67/15/37/387671537.db2.gz MIOZSOGTWIPLKV-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP COc1cccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422774396 387671950 /nfs/dbraw/zinc/67/19/50/387671950.db2.gz WVFFQHAHDVPESI-CABCVRRESA-N 2 1 248.370 2.445 20 0 BEADMP Cc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)ccn1 ZINC000527720039 387674965 /nfs/dbraw/zinc/67/49/65/387674965.db2.gz KWTXUDRRMNSWHW-CQSZACIVSA-N 2 1 247.386 2.212 20 0 BEADMP CCCOc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643526306 387749792 /nfs/dbraw/zinc/74/97/92/387749792.db2.gz YYKAHDUDARGASG-NEPJUHHUSA-N 2 1 236.359 2.473 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@H]1CCSc2ccccc21 ZINC000643526082 387755066 /nfs/dbraw/zinc/75/50/66/387755066.db2.gz OVXPAYCHWLZDHM-KOLCDFICSA-N 2 1 222.357 2.160 20 0 BEADMP CCc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643525989 387755098 /nfs/dbraw/zinc/75/50/98/387755098.db2.gz LRCRJBDTVFXYFK-MNOVXSKESA-N 2 1 206.333 2.247 20 0 BEADMP C[C@H](Cc1cccs1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000643520927 387707135 /nfs/dbraw/zinc/70/71/35/387707135.db2.gz DUXMWGLGVSCPNR-DMDPSCGWSA-N 2 1 238.400 2.267 20 0 BEADMP C[C@H]([NH2+]CC1(c2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422809694 387707538 /nfs/dbraw/zinc/70/75/38/387707538.db2.gz MNVVDSSSBDVCGV-DZGCQCFKSA-N 2 1 244.382 2.448 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)Cc1cccs1)[C@@H]1CCC[NH2+]1 ZINC000422809717 387707905 /nfs/dbraw/zinc/70/79/05/387707905.db2.gz QGTXZYHWYFYWPY-LOWVWBTDSA-N 2 1 238.400 2.409 20 0 BEADMP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)C(C)(C)C ZINC000422813738 387710430 /nfs/dbraw/zinc/71/04/30/387710430.db2.gz SHSKBMYANXIAOY-RWMBFGLXSA-N 2 1 242.407 2.168 20 0 BEADMP CCc1cc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc[nH+]1 ZINC000450417377 387710582 /nfs/dbraw/zinc/71/05/82/387710582.db2.gz JGOJAWVAXMYLPT-VXGBXAGGSA-N 2 1 233.359 2.173 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)cn1 ZINC000643522561 387718894 /nfs/dbraw/zinc/71/88/94/387718894.db2.gz PJFSGWJUMSGJES-PWSUYJOCSA-N 2 1 237.322 2.013 20 0 BEADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)cn1 ZINC000643522560 387719474 /nfs/dbraw/zinc/71/94/74/387719474.db2.gz PJFSGWJUMSGJES-JQWIXIFHSA-N 2 1 237.322 2.013 20 0 BEADMP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522607 387719505 /nfs/dbraw/zinc/71/95/05/387719505.db2.gz QCPNMPNSAQDZMT-GXTWGEPZSA-N 2 1 247.386 2.437 20 0 BEADMP C[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)[C@H]1CC12CC2 ZINC000527849558 387755467 /nfs/dbraw/zinc/75/54/67/387755467.db2.gz MDKDKANAURNFSC-UHTWSYAYSA-N 2 1 222.376 2.105 20 0 BEADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000422824501 387721059 /nfs/dbraw/zinc/72/10/59/387721059.db2.gz NWDHSLRWNRGWDR-DYEKYZERSA-N 2 1 248.370 2.139 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CC23CC3)C1 ZINC000527849186 387755820 /nfs/dbraw/zinc/75/58/20/387755820.db2.gz KSDOVBIZQVIOMC-XQQFMLRXSA-N 2 1 222.376 2.106 20 0 BEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCS1 ZINC000128073865 387734607 /nfs/dbraw/zinc/73/46/07/387734607.db2.gz RUXARMORPGJVPC-UPJWGTAASA-N 2 1 240.416 2.098 20 0 BEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CC12CC2 ZINC000527905326 387762174 /nfs/dbraw/zinc/76/21/74/387762174.db2.gz NJIRALPBUZSAAA-APYLGABCSA-N 2 1 234.387 2.390 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1cccc(C)c1 ZINC000643527167 387762516 /nfs/dbraw/zinc/76/25/16/387762516.db2.gz KGMVFEDZVIBKHU-DGCLKSJQSA-N 2 1 206.333 2.383 20 0 BEADMP CC(C)c1csc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])n1 ZINC000422891110 387763120 /nfs/dbraw/zinc/76/31/20/387763120.db2.gz JZISXJFOSSYZTC-UWVGGRQHSA-N 2 1 241.404 2.482 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000422911242 387769527 /nfs/dbraw/zinc/76/95/27/387769527.db2.gz SJDKPRFDJWGWKZ-INWMFGNUSA-N 2 1 244.382 2.304 20 0 BEADMP Cc1cccc(C[C@H]([NH2+][C@@H]2CC[NH2+]C2)C2CC2)c1 ZINC000422910180 387770040 /nfs/dbraw/zinc/77/00/40/387770040.db2.gz HMACWNRIMAOJLL-CVEARBPZSA-N 2 1 244.382 2.268 20 0 BEADMP CCc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])s1 ZINC000643528926 387771544 /nfs/dbraw/zinc/77/15/44/387771544.db2.gz QVUNUDBPVPUZQS-DTWKUNHWSA-N 2 1 212.362 2.308 20 0 BEADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@H](C)[NH3+])c1 ZINC000643528883 387773414 /nfs/dbraw/zinc/77/34/14/387773414.db2.gz QNVRBEYSLWEPBS-RYUDHWBXSA-N 2 1 206.333 2.301 20 0 BEADMP C[C@H]([NH2+][C@H]1C[C@H]1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422925048 387778306 /nfs/dbraw/zinc/77/83/06/387778306.db2.gz UYEFJSUMHCSKDX-XZDPQHSOSA-N 2 1 244.382 2.348 20 0 BEADMP C[C@@H]([NH2+]CCCc1cccs1)[C@H]1CCC[NH2+]1 ZINC000643477657 387779946 /nfs/dbraw/zinc/77/99/46/387779946.db2.gz FRVFUVSHFSAOIW-DGCLKSJQSA-N 2 1 238.400 2.411 20 0 BEADMP CC(C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527945328 387780664 /nfs/dbraw/zinc/78/06/64/387780664.db2.gz FWOZUCOWJFHOIQ-CYBMUJFWSA-N 2 1 210.365 2.391 20 0 BEADMP CC(C)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527945328 387780667 /nfs/dbraw/zinc/78/06/67/387780667.db2.gz FWOZUCOWJFHOIQ-CYBMUJFWSA-N 2 1 210.365 2.391 20 0 BEADMP CC(C)CC1(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422928838 387781538 /nfs/dbraw/zinc/78/15/38/387781538.db2.gz MYBAAUGKKXYXTB-QWHCGFSZSA-N 2 1 224.392 2.400 20 0 BEADMP CC[C@@H](C)C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432355722 387785251 /nfs/dbraw/zinc/78/52/51/387785251.db2.gz FRBJMOZQWFEERC-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP CC[C@@H](C)C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432355720 387785408 /nfs/dbraw/zinc/78/54/08/387785408.db2.gz FRBJMOZQWFEERC-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CC12CC2 ZINC000527918348 387787999 /nfs/dbraw/zinc/78/79/99/387787999.db2.gz WDLKUYWBIJRZNZ-MJBXVCDLSA-N 2 1 236.403 2.497 20 0 BEADMP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)OCC ZINC000527931945 387794683 /nfs/dbraw/zinc/79/46/83/387794683.db2.gz ONFWXFBPOPPQRD-MGPQQGTHSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)OCC ZINC000527931948 387795192 /nfs/dbraw/zinc/79/51/92/387795192.db2.gz ONFWXFBPOPPQRD-MJBXVCDLSA-N 2 1 242.407 2.121 20 0 BEADMP CCN(CCC[NH+](C)C)c1cccc(C)[nH+]1 ZINC000425250831 387799271 /nfs/dbraw/zinc/79/92/71/387799271.db2.gz DOXQINLBSIYKCJ-UHFFFAOYSA-N 2 1 221.348 2.168 20 0 BEADMP C[C@H]([NH2+]C1(c2ccc(F)cc2)CC1)C1C[NH2+]C1 ZINC000422955615 387809418 /nfs/dbraw/zinc/80/94/18/387809418.db2.gz JTQWHWOJPMUDBC-JTQLQIEISA-N 2 1 234.318 2.012 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(C)CCCC1 ZINC000422959977 387810904 /nfs/dbraw/zinc/81/09/04/387810904.db2.gz UWQYRMSXGVTIFU-NWDGAFQWSA-N 2 1 210.365 2.154 20 0 BEADMP CC[C@H]([NH2+]C[C@@H](C)[NH3+])c1cccc(F)c1 ZINC000643526592 387757654 /nfs/dbraw/zinc/75/76/54/387757654.db2.gz BSYZADJGBYUECZ-SKDRFNHKSA-N 2 1 210.296 2.214 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@H]1c2cccc(F)c2CC[C@H]1C ZINC000643526900 387760664 /nfs/dbraw/zinc/76/06/64/387760664.db2.gz BFRABKHSKSZLDM-ISTVAULSSA-N 2 1 236.334 2.386 20 0 BEADMP Cc1occc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000320976991 387825256 /nfs/dbraw/zinc/82/52/56/387825256.db2.gz PKGYZTRRVQZIIA-KBPBESRZSA-N 2 1 234.343 2.304 20 0 BEADMP Cc1occc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000320976991 387825262 /nfs/dbraw/zinc/82/52/62/387825262.db2.gz PKGYZTRRVQZIIA-KBPBESRZSA-N 2 1 234.343 2.304 20 0 BEADMP Cc1cnccc1CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423008383 387832288 /nfs/dbraw/zinc/83/22/88/387832288.db2.gz ABJOKCJOCZNILF-UKRRQHHQSA-N 2 1 247.386 2.053 20 0 BEADMP C[C@@H](CCNc1[nH+]ccc2ccccc21)[NH+](C)C ZINC000528053733 387839691 /nfs/dbraw/zinc/83/96/91/387839691.db2.gz MTQVEGJQDJSCNE-LBPRGKRZSA-N 2 1 243.354 2.409 20 0 BEADMP C[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1c[nH+]ccc1N ZINC000423040322 387853750 /nfs/dbraw/zinc/85/37/50/387853750.db2.gz GUYXRGDYUAXBAU-NEPJUHHUSA-N 2 1 249.358 2.104 20 0 BEADMP CSCCCCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423049092 387857457 /nfs/dbraw/zinc/85/74/57/387857457.db2.gz IVVXBFMYAZZTCX-VXGBXAGGSA-N 2 1 230.421 2.107 20 0 BEADMP CC[C@H]([NH2+]C[C@H](C)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423051442 387860890 /nfs/dbraw/zinc/86/08/90/387860890.db2.gz NHEULHTXNSHEBC-GUBZILKMSA-N 2 1 238.297 2.305 20 0 BEADMP CC(C)=CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423066665 387870397 /nfs/dbraw/zinc/87/03/97/387870397.db2.gz FDOQZXPPUBDKFJ-SNVBAGLBSA-N 2 1 205.305 2.111 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC12CCCC2)[C@@H]1CCCC[NH2+]1 ZINC000423071927 387872337 /nfs/dbraw/zinc/87/23/37/387872337.db2.gz GLJLYQPPKLWPCG-AGIUHOORSA-N 2 1 222.376 2.439 20 0 BEADMP C[C@@H]([NH2+]CCCC(F)(F)F)c1c[nH+]ccc1N ZINC000422963723 387814256 /nfs/dbraw/zinc/81/42/56/387814256.db2.gz GRLMPCHHCVBDRH-MRVPVSSYSA-N 2 1 247.264 2.487 20 0 BEADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000442662742 387814701 /nfs/dbraw/zinc/81/47/01/387814701.db2.gz IEIHQQZPXRPMPT-TZMCWYRMSA-N 2 1 218.344 2.041 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000442662738 387816664 /nfs/dbraw/zinc/81/66/64/387816664.db2.gz IEIHQQZPXRPMPT-GXTWGEPZSA-N 2 1 218.344 2.041 20 0 BEADMP C[C@@H]([NH3+])C[NH+]1CCC(COc2ccccc2)CC1 ZINC000442665247 387817831 /nfs/dbraw/zinc/81/78/31/387817831.db2.gz LZSNHEYEPNRMTJ-CYBMUJFWSA-N 2 1 248.370 2.125 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000422968400 387818775 /nfs/dbraw/zinc/81/87/75/387818775.db2.gz WSPVZXIUMCHGDX-JSGCOSHPSA-N 2 1 222.376 2.465 20 0 BEADMP C[C@@H]([NH3+])C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000442665632 387819035 /nfs/dbraw/zinc/81/90/35/387819035.db2.gz PUPUJQPWZITGMH-DGCLKSJQSA-N 2 1 236.334 2.037 20 0 BEADMP C[C@@H]([NH3+])C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000442665632 387819039 /nfs/dbraw/zinc/81/90/39/387819039.db2.gz PUPUJQPWZITGMH-DGCLKSJQSA-N 2 1 236.334 2.037 20 0 BEADMP Cc1cnccc1CC[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000564081155 387819430 /nfs/dbraw/zinc/81/94/30/387819430.db2.gz ZDVPRGORBQBCTH-CABCVRRESA-N 2 1 248.370 2.025 20 0 BEADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423106365 387891119 /nfs/dbraw/zinc/89/11/19/387891119.db2.gz RKURBELBHZPQBD-LPWJVIDDSA-N 2 1 210.365 2.010 20 0 BEADMP CC1=CCC[C@@H](C)[C@@H]1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194543049 387893145 /nfs/dbraw/zinc/89/31/45/387893145.db2.gz ADKJSMTXAOIOAS-LVQVYYBASA-N 2 1 248.414 2.472 20 0 BEADMP CC1=CCC[C@@H](C)[C@@H]1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194543049 387893151 /nfs/dbraw/zinc/89/31/51/387893151.db2.gz ADKJSMTXAOIOAS-LVQVYYBASA-N 2 1 248.414 2.472 20 0 BEADMP CC1=CCC[C@@H](C)[C@@H]1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000194543049 387893156 /nfs/dbraw/zinc/89/31/56/387893156.db2.gz ADKJSMTXAOIOAS-LVQVYYBASA-N 2 1 248.414 2.472 20 0 BEADMP CCO[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000423089071 387880179 /nfs/dbraw/zinc/88/01/79/387880179.db2.gz RNUHYBCHOUAMFT-SOUVJXGZSA-N 2 1 248.370 2.234 20 0 BEADMP C[C@@H]([NH2+]CC1(C(F)(F)F)CC1)[C@H]1CCC[NH2+]1 ZINC000423116047 387898480 /nfs/dbraw/zinc/89/84/80/387898480.db2.gz ZIVPPHMHOJSBNL-RKDXNWHRSA-N 2 1 236.281 2.059 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000643540610 387882410 /nfs/dbraw/zinc/88/24/10/387882410.db2.gz YHZCSQVAJDKTTO-JQWIXIFHSA-N 2 1 221.348 2.086 20 0 BEADMP C[C@H]([NH3+])C[C@H](C)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000423163723 387898681 /nfs/dbraw/zinc/89/86/81/387898681.db2.gz RNTWLLBWAVDEEM-RWMBFGLXSA-N 2 1 242.432 2.331 20 0 BEADMP CC[C@H]([NH2+]CCSC(C)C)[C@@H]1CCC[NH2+]1 ZINC000423101186 387889017 /nfs/dbraw/zinc/88/90/17/387889017.db2.gz CPLRUWNFQRJPIR-RYUDHWBXSA-N 2 1 230.421 2.248 20 0 BEADMP Fc1ccccc1[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000423103675 387889145 /nfs/dbraw/zinc/88/91/45/387889145.db2.gz XUEIFNVDWYYDGV-FRRDWIJNSA-N 2 1 248.345 2.413 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000423117616 387899218 /nfs/dbraw/zinc/89/92/18/387899218.db2.gz WGAIUBRWQNAMFQ-UTUOFQBUSA-N 2 1 246.345 2.400 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1c[nH+]ccc1N ZINC000423126727 387904505 /nfs/dbraw/zinc/90/45/05/387904505.db2.gz OQEGATQCHPJKEQ-GUBZILKMSA-N 2 1 223.295 2.035 20 0 BEADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccco1 ZINC000168719007 387904734 /nfs/dbraw/zinc/90/47/34/387904734.db2.gz LUWVHJDHMSWQOK-QWRGUYRKSA-N 2 1 208.305 2.072 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000423131759 387910364 /nfs/dbraw/zinc/91/03/64/387910364.db2.gz IKXRHERYUJERJL-YWPUVAFDSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCCC1(C)C ZINC000423137244 387913547 /nfs/dbraw/zinc/91/35/47/387913547.db2.gz QJJNECLRYLEGOM-JHJVBQTASA-N 2 1 224.392 2.400 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000423157241 387936993 /nfs/dbraw/zinc/93/69/93/387936993.db2.gz VBMJNCFXNOQIPI-GMTAPVOTSA-N 2 1 232.318 2.009 20 0 BEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000423145447 387922496 /nfs/dbraw/zinc/92/24/96/387922496.db2.gz KROIIFBEYNSCBR-QCNOEVLYSA-N 2 1 214.328 2.127 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000321042979 387937257 /nfs/dbraw/zinc/93/72/57/387937257.db2.gz FOTWEPLOBQCXGB-FDYHWXHSSA-N 2 1 212.381 2.349 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000321042979 387937262 /nfs/dbraw/zinc/93/72/62/387937262.db2.gz FOTWEPLOBQCXGB-FDYHWXHSSA-N 2 1 212.381 2.349 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424288177 387952078 /nfs/dbraw/zinc/95/20/78/387952078.db2.gz IGLOJIYQASLAGX-CYUUQNCZSA-N 2 1 236.403 2.352 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1(C)CC1 ZINC000044533948 387938066 /nfs/dbraw/zinc/93/80/66/387938066.db2.gz HQTBDDFTVQZHTD-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1C[C@H]1C ZINC000321056695 387939706 /nfs/dbraw/zinc/93/97/06/387939706.db2.gz HVZMEESONKCQFP-IKOXMDCHSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1C[C@H]1C ZINC000321056695 387939709 /nfs/dbraw/zinc/93/97/09/387939709.db2.gz HVZMEESONKCQFP-IKOXMDCHSA-N 2 1 222.376 2.247 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)[C@@H]1C[C@H]1C ZINC000321096413 387946823 /nfs/dbraw/zinc/94/68/23/387946823.db2.gz OGMGPKLYCBCSQK-RQJABVFESA-N 2 1 224.392 2.352 20 0 BEADMP CC[C@H](C)[C@@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)OC ZINC000423162858 387946859 /nfs/dbraw/zinc/94/68/59/387946859.db2.gz UJTVRSBOZBRCOD-RFQIPJPRSA-N 2 1 242.407 2.168 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)[C@H]1C[C@@H]1C ZINC000321096415 387947860 /nfs/dbraw/zinc/94/78/60/387947860.db2.gz OGMGPKLYCBCSQK-XUXIUFHCSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H](CCCC[NH3+])[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000423164542 387948062 /nfs/dbraw/zinc/94/80/62/387948062.db2.gz SWPKWSCJPLBVBM-KBPBESRZSA-N 2 1 240.391 2.006 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1C[C@H]1C ZINC000321097752 387948161 /nfs/dbraw/zinc/94/81/61/387948161.db2.gz OKQWFHGOOLBSSH-DHMWGJHJSA-N 2 1 236.403 2.495 20 0 BEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000423171132 387956534 /nfs/dbraw/zinc/95/65/34/387956534.db2.gz ZLTDTRIZLHKGGM-MQYQWHSLSA-N 2 1 240.391 2.063 20 0 BEADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+]CC[NH3+])C1 ZINC000423176381 387961765 /nfs/dbraw/zinc/96/17/65/387961765.db2.gz BZDRVAYGRBGGJF-KBPBESRZSA-N 2 1 218.344 2.045 20 0 BEADMP CC[C@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245594211 387964676 /nfs/dbraw/zinc/96/46/76/387964676.db2.gz HBBJFUQGDKIZKQ-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245594211 387964678 /nfs/dbraw/zinc/96/46/78/387964678.db2.gz HBBJFUQGDKIZKQ-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000245594211 387964682 /nfs/dbraw/zinc/96/46/82/387964682.db2.gz HBBJFUQGDKIZKQ-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423180559 387966878 /nfs/dbraw/zinc/96/68/78/387966878.db2.gz FFIKPTSZOWRXDZ-QJPTWQEYSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)CC[N@@H+]1C ZINC000424318194 387967096 /nfs/dbraw/zinc/96/70/96/387967096.db2.gz CRHUXPWOLNFGSM-VZZFWQQMSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)CC[N@H+]1C ZINC000424318194 387967099 /nfs/dbraw/zinc/96/70/99/387967099.db2.gz CRHUXPWOLNFGSM-VZZFWQQMSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccncc1 ZINC000423185774 387970187 /nfs/dbraw/zinc/97/01/87/387970187.db2.gz WGIGHBWLKFERBG-LBPRGKRZSA-N 2 1 233.359 2.394 20 0 BEADMP C[NH2+]CCC[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000423183980 387970311 /nfs/dbraw/zinc/97/03/11/387970311.db2.gz HDHQTPNEXRUACX-SNVBAGLBSA-N 2 1 240.322 2.094 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccnc1 ZINC000424338227 387980352 /nfs/dbraw/zinc/98/03/52/387980352.db2.gz UHJYWCYSMSHFQZ-RAIGVLPGSA-N 2 1 219.332 2.002 20 0 BEADMP CCC[C@@H]([NH2+]CC[NH3+])c1ccc(OC)cc1 ZINC000423196100 387981278 /nfs/dbraw/zinc/98/12/78/387981278.db2.gz YVSFOMPFMROUOZ-CYBMUJFWSA-N 2 1 222.332 2.085 20 0 BEADMP C[C@@H]([NH2+]CC(C)(C)c1cccnc1)[C@@H]1CCC[NH2+]1 ZINC000423196322 387981384 /nfs/dbraw/zinc/98/13/84/387981384.db2.gz ZJJJVTLQCKMHAG-OCCSQVGLSA-N 2 1 247.386 2.089 20 0 BEADMP C1CC1[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000423189067 387973216 /nfs/dbraw/zinc/97/32/16/387973216.db2.gz OTSFXEFDGQFNOD-ZIAGYGMSSA-N 2 1 222.376 2.297 20 0 BEADMP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000453051381 387973771 /nfs/dbraw/zinc/97/37/71/387973771.db2.gz BEVUKRLPUUTTCY-RVMXOQNASA-N 2 1 210.365 2.247 20 0 BEADMP COc1ccsc1[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000423189271 387974414 /nfs/dbraw/zinc/97/44/14/387974414.db2.gz QXKOVDCYMHQCFY-SECBINFHSA-N 2 1 240.372 2.159 20 0 BEADMP C[NH+](C)[C@H](C[NH2+][C@@H](C1CC1)C1CCC1)C1CC1 ZINC000453059355 387974708 /nfs/dbraw/zinc/97/47/08/387974708.db2.gz KYHNIVGCRXBIMN-HUUCEWRRSA-N 2 1 236.403 2.495 20 0 BEADMP CC(C)[C@@H]1C[C@H]([NH2+]CC[NH3+])c2ccccc21 ZINC000423190912 387975414 /nfs/dbraw/zinc/97/54/14/387975414.db2.gz SXPPEIUKUWTQCB-KBPBESRZSA-N 2 1 218.344 2.419 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cn[nH]c1 ZINC000453072820 387977996 /nfs/dbraw/zinc/97/79/96/387977996.db2.gz AWLHVEVEDJHVTL-LLVKDONJSA-N 2 1 248.374 2.077 20 0 BEADMP Cc1ccc(C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000423211980 387995872 /nfs/dbraw/zinc/99/58/72/387995872.db2.gz ZICMUJODDAVIRI-HZPDHXFCSA-N 2 1 244.382 2.268 20 0 BEADMP CCc1ccc([C@@H](C)[NH2+]CCC[NH2+]C)o1 ZINC000423204533 387989385 /nfs/dbraw/zinc/98/93/85/387989385.db2.gz UPBGDLZZNUUCKS-SNVBAGLBSA-N 2 1 210.321 2.102 20 0 BEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1C[C@]1(F)c1ccccc1 ZINC000424368684 387992132 /nfs/dbraw/zinc/99/21/32/387992132.db2.gz ADVVETXCWOLNAN-IMIFBBOLSA-N 2 1 236.334 2.339 20 0 BEADMP CCC[C@@H]([NH2+]CCC[NH2+]C)c1ccccn1 ZINC000423197815 387983518 /nfs/dbraw/zinc/98/35/18/387983518.db2.gz BJBHDWRJBZFSRF-GFCCVEGCSA-N 2 1 221.348 2.122 20 0 BEADMP C[NH2+]CCC[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000423201603 387987193 /nfs/dbraw/zinc/98/71/93/387987193.db2.gz PBMUBXWTLROXQM-GFCCVEGCSA-N 2 1 243.354 2.495 20 0 BEADMP Cc1ccccc1C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)C1CC1 ZINC000423219020 387999527 /nfs/dbraw/zinc/99/95/27/387999527.db2.gz VMEXWWZPMMHYRI-HZPDHXFCSA-N 2 1 244.382 2.268 20 0 BEADMP C[C@@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC[NH2+]C1 ZINC000423217666 388000124 /nfs/dbraw/zinc/00/01/24/388000124.db2.gz SKLHQEVHLVDDSK-WCQYABFASA-N 2 1 244.338 2.315 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC(C)(C)C ZINC000252709648 135099161 /nfs/dbraw/zinc/09/91/61/135099161.db2.gz DKIJWELMUNGWSK-VXGBXAGGSA-N 2 1 212.381 2.352 20 0 BEADMP C[NH2+]CC[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000423225556 388007735 /nfs/dbraw/zinc/00/77/35/388007735.db2.gz NFXZJCRIOJVHJW-LBPRGKRZSA-N 2 1 220.360 2.162 20 0 BEADMP Cc1ccc(C[C@H]([NH2+][C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000423211979 387996149 /nfs/dbraw/zinc/99/61/49/387996149.db2.gz ZICMUJODDAVIRI-HOTGVXAUSA-N 2 1 244.382 2.268 20 0 BEADMP Cc1ccccc1[C@H]([NH2+]CC[NH3+])C(C)C ZINC000420397858 387996771 /nfs/dbraw/zinc/99/67/71/387996771.db2.gz GLNWSCDEGHTMMU-CYBMUJFWSA-N 2 1 206.333 2.240 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@H](CC(C)C)C1 ZINC000423240002 388023674 /nfs/dbraw/zinc/02/36/74/388023674.db2.gz GRIUCJUMDHZBOH-CHWSQXEVSA-N 2 1 212.381 2.400 20 0 BEADMP CC[NH2+]CC[NH2+][C@H]1CCCC12CCCC2 ZINC000423242153 388023857 /nfs/dbraw/zinc/02/38/57/388023857.db2.gz VJWJQRHXBAQVCB-LBPRGKRZSA-N 2 1 210.365 2.298 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000423241232 388024111 /nfs/dbraw/zinc/02/41/11/388024111.db2.gz UUKQRPFBVJTOBT-ZDUSSCGKSA-N 2 1 210.365 2.154 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1CC ZINC000423240451 388024332 /nfs/dbraw/zinc/02/43/32/388024332.db2.gz GXPISTKSAPNJLK-JHJVBQTASA-N 2 1 212.381 2.400 20 0 BEADMP C[NH2+]CC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000423240455 388024452 /nfs/dbraw/zinc/02/44/52/388024452.db2.gz GXXGRNZFMSOHCD-VIFPVBQESA-N 2 1 220.307 2.009 20 0 BEADMP C[NH2+]CC[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000423239984 388024713 /nfs/dbraw/zinc/02/47/13/388024713.db2.gz GMZYKCAXDHMSAX-NSHDSACASA-N 2 1 232.327 2.173 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccnc2)[C@@H](C)C1 ZINC000246273034 388025284 /nfs/dbraw/zinc/02/52/84/388025284.db2.gz AICNSSLIIGHRCQ-ZFWWWQNUSA-N 2 1 247.386 2.244 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccnc2)[C@@H](C)C1 ZINC000246273034 388025286 /nfs/dbraw/zinc/02/52/86/388025286.db2.gz AICNSSLIIGHRCQ-ZFWWWQNUSA-N 2 1 247.386 2.244 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccnc2)[C@@H](C)C1 ZINC000246273034 388025288 /nfs/dbraw/zinc/02/52/88/388025288.db2.gz AICNSSLIIGHRCQ-ZFWWWQNUSA-N 2 1 247.386 2.244 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccnc2)[C@@H](C)C1 ZINC000246273034 388025289 /nfs/dbraw/zinc/02/52/89/388025289.db2.gz AICNSSLIIGHRCQ-ZFWWWQNUSA-N 2 1 247.386 2.244 20 0 BEADMP CC[C@H](C)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000246182603 388016646 /nfs/dbraw/zinc/01/66/46/388016646.db2.gz HDNZWWZZVXWBII-STQMWFEESA-N 2 1 212.381 2.306 20 0 BEADMP CC[C@H](C)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000246182603 388016647 /nfs/dbraw/zinc/01/66/47/388016647.db2.gz HDNZWWZZVXWBII-STQMWFEESA-N 2 1 212.381 2.306 20 0 BEADMP CC[C@H](C)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000246182603 388016650 /nfs/dbraw/zinc/01/66/50/388016650.db2.gz HDNZWWZZVXWBII-STQMWFEESA-N 2 1 212.381 2.306 20 0 BEADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000423234162 388019378 /nfs/dbraw/zinc/01/93/78/388019378.db2.gz LEIBLOQNITXRID-NEPJUHHUSA-N 2 1 216.344 2.104 20 0 BEADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000423237522 388020869 /nfs/dbraw/zinc/02/08/69/388020869.db2.gz UGMDWGHBHXVTNJ-IUCAKERBSA-N 2 1 228.286 2.353 20 0 BEADMP CCCC[C@@H](C)[C@@H](C)[NH2+]CC[NH2+]CC ZINC000423239013 388022008 /nfs/dbraw/zinc/02/20/08/388022008.db2.gz RNFVROBRYKPQRF-VXGBXAGGSA-N 2 1 200.370 2.400 20 0 BEADMP CCCCO[C@H]1C[C@@H]([NH2+]CC[NH2+]CC)C1(C)C ZINC000423252192 388033316 /nfs/dbraw/zinc/03/33/16/388033316.db2.gz XIFTXXAGSYWJCS-OLZOCXBDSA-N 2 1 242.407 2.169 20 0 BEADMP CCc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH2+]C)o1 ZINC000423265588 388036452 /nfs/dbraw/zinc/03/64/52/388036452.db2.gz CHOLKUGDUXGIMG-QWRGUYRKSA-N 2 1 224.348 2.348 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCc2ccccc21 ZINC000423262703 388039911 /nfs/dbraw/zinc/03/99/11/388039911.db2.gz NFHMJSKZABALDG-KBPBESRZSA-N 2 1 218.344 2.247 20 0 BEADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C[NH3+])CC(C)C ZINC000423262794 388040341 /nfs/dbraw/zinc/04/03/41/388040341.db2.gz NLSRMKIHVJKQDC-IHRRRGAJSA-N 2 1 242.407 2.155 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000423264864 388041554 /nfs/dbraw/zinc/04/15/54/388041554.db2.gz CJDSETBFBLVZFQ-XHDPSFHLSA-N 2 1 248.370 2.351 20 0 BEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)C1CCSCC1 ZINC000423263478 388042278 /nfs/dbraw/zinc/04/22/78/388042278.db2.gz OKWAQBHKDGMTNQ-YPMHNXCESA-N 2 1 244.448 2.481 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCc2c1cccc2F ZINC000423263618 388042402 /nfs/dbraw/zinc/04/24/02/388042402.db2.gz BEOLTCIFNNCGEH-KGLIPLIRSA-N 2 1 236.334 2.386 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCc2c1cccc2F ZINC000423263617 388042546 /nfs/dbraw/zinc/04/25/46/388042546.db2.gz BEOLTCIFNNCGEH-KBPBESRZSA-N 2 1 236.334 2.386 20 0 BEADMP CSCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159982784 388042686 /nfs/dbraw/zinc/04/26/86/388042686.db2.gz BVZGTHZHIBGPLJ-QWHCGFSZSA-N 2 1 242.432 2.346 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@H]1CCCc2ccccc21)C1CC1 ZINC000423265095 388043384 /nfs/dbraw/zinc/04/33/84/388043384.db2.gz AROJGWSSTMMKAP-GJZGRUSLSA-N 2 1 230.355 2.391 20 0 BEADMP CC[C@H](F)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000440530030 388052471 /nfs/dbraw/zinc/05/24/71/388052471.db2.gz GJUJIKGXEJSYFZ-NWDGAFQWSA-N 2 1 216.344 2.151 20 0 BEADMP CC[C@H](F)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000440530030 388052473 /nfs/dbraw/zinc/05/24/73/388052473.db2.gz GJUJIKGXEJSYFZ-NWDGAFQWSA-N 2 1 216.344 2.151 20 0 BEADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)C1C(C)(C)C1(C)C ZINC000423273831 388052491 /nfs/dbraw/zinc/05/24/91/388052491.db2.gz JOHMHRGIDQSJPM-MWLCHTKSSA-N 2 1 224.392 2.384 20 0 BEADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423273848 388053638 /nfs/dbraw/zinc/05/36/38/388053638.db2.gz JQAWTRIGDAOUEW-UGFHNGPFSA-N 2 1 248.370 2.090 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)CCO1 ZINC000423273139 388054004 /nfs/dbraw/zinc/05/40/04/388054004.db2.gz ZXYXPIOVXDBXOJ-BNOWGMLFSA-N 2 1 240.391 2.051 20 0 BEADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000453350584 388054613 /nfs/dbraw/zinc/05/46/13/388054613.db2.gz LOJOATCZCYOPRJ-RFGFWPKPSA-N 2 1 224.392 2.208 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000423277565 388057779 /nfs/dbraw/zinc/05/77/79/388057779.db2.gz PYSFDWXUFUTMSI-ZJUUUORDSA-N 2 1 242.313 2.471 20 0 BEADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(F)c1 ZINC000423277246 388058225 /nfs/dbraw/zinc/05/82/25/388058225.db2.gz OCCBYBPLAWJJFV-RNCFNFMXSA-N 2 1 222.307 2.214 20 0 BEADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000453362262 388059476 /nfs/dbraw/zinc/05/94/76/388059476.db2.gz QYNAGTXDMHYPFM-RQJABVFESA-N 2 1 224.392 2.351 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CCO1 ZINC000453387788 388060620 /nfs/dbraw/zinc/06/06/20/388060620.db2.gz BFQXRSHIUUJALD-STQMWFEESA-N 2 1 240.391 2.018 20 0 BEADMP CC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccncc1 ZINC000423277986 388060920 /nfs/dbraw/zinc/06/09/20/388060920.db2.gz QEYZBBCJQALBOY-STQMWFEESA-N 2 1 221.348 2.106 20 0 BEADMP COc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)c(C)c1 ZINC000423279628 388062173 /nfs/dbraw/zinc/06/21/73/388062173.db2.gz RTGSSDJYXSSTRW-IAQYHMDHSA-N 2 1 248.370 2.392 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H](C[NH3+])C2CC2)C1 ZINC000423281702 388063031 /nfs/dbraw/zinc/06/30/31/388063031.db2.gz UKXSSJCXZYKGCG-LYIQGSDWSA-N 2 1 210.365 2.138 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cc(C)oc1C ZINC000423281412 388063931 /nfs/dbraw/zinc/06/39/31/388063931.db2.gz VKVZVKQNHPDSSP-MWLCHTKSSA-N 2 1 224.348 2.403 20 0 BEADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(OC)c1 ZINC000423284553 388066889 /nfs/dbraw/zinc/06/68/89/388066889.db2.gz WWHHICJMZFGKEQ-GJZGRUSLSA-N 2 1 248.370 2.473 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CCO1 ZINC000453387786 388067685 /nfs/dbraw/zinc/06/76/85/388067685.db2.gz BFQXRSHIUUJALD-OLZOCXBDSA-N 2 1 240.391 2.018 20 0 BEADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCc2sccc21)C1CC1 ZINC000423285800 388068614 /nfs/dbraw/zinc/06/86/14/388068614.db2.gz YSVSWGWYJGAULI-VXGBXAGGSA-N 2 1 236.384 2.452 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000423285686 388069428 /nfs/dbraw/zinc/06/94/28/388069428.db2.gz ZTOUTALUQAJZGA-VHSXEESVSA-N 2 1 242.313 2.471 20 0 BEADMP CCC[C@@H]([NH2+]C[C@@H](C)C[NH2+]C)c1ccccn1 ZINC000423285580 388069567 /nfs/dbraw/zinc/06/95/67/388069567.db2.gz ZPMJXKZLUBWSAI-QWHCGFSZSA-N 2 1 235.375 2.368 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000423285586 388069579 /nfs/dbraw/zinc/06/95/79/388069579.db2.gz ZJMNBFFGRLGWAZ-JSGCOSHPSA-N 2 1 249.402 2.387 20 0 BEADMP CCC[C@H]([NH2+]C[C@@H](C)C[NH2+]C)c1ccccn1 ZINC000423285582 388069731 /nfs/dbraw/zinc/06/97/31/388069731.db2.gz ZPMJXKZLUBWSAI-STQMWFEESA-N 2 1 235.375 2.368 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCc2sccc21)C1CC1 ZINC000423285797 388069918 /nfs/dbraw/zinc/06/99/18/388069918.db2.gz YSVSWGWYJGAULI-NEPJUHHUSA-N 2 1 236.384 2.452 20 0 BEADMP Cc1nc(C)c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)s1 ZINC000423286222 388071464 /nfs/dbraw/zinc/07/14/64/388071464.db2.gz ZZWNRBGLIHSTAD-KCJUWKMLSA-N 2 1 239.388 2.148 20 0 BEADMP CC1CC([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453400387 388072593 /nfs/dbraw/zinc/07/25/93/388072593.db2.gz LYRWGNCOXLDAJH-UHFFFAOYSA-N 2 1 210.365 2.249 20 0 BEADMP Cc1csc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000084216337 388074913 /nfs/dbraw/zinc/07/49/13/388074913.db2.gz DNFDYVPQPVOJPZ-GHMZBOCLSA-N 2 1 239.388 2.059 20 0 BEADMP Cc1ccc(C[N@H+](C)C2CC[NH2+]CC2)c(C)c1 ZINC000084517097 388079300 /nfs/dbraw/zinc/07/93/00/388079300.db2.gz WRKVBCDKDPVTDS-UHFFFAOYSA-N 2 1 232.371 2.487 20 0 BEADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](COC)C1CCCC1 ZINC000423297776 388080153 /nfs/dbraw/zinc/08/01/53/388080153.db2.gz LVHBHVKUZQOTHD-KBPBESRZSA-N 2 1 242.407 2.299 20 0 BEADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(F)cc1 ZINC000423267685 388045459 /nfs/dbraw/zinc/04/54/59/388045459.db2.gz DCDLTCRKBLZHRS-RNCFNFMXSA-N 2 1 222.307 2.214 20 0 BEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(F)cc1 ZINC000423267987 388046468 /nfs/dbraw/zinc/04/64/68/388046468.db2.gz DCDLTCRKBLZHRS-ZANVPECISA-N 2 1 222.307 2.214 20 0 BEADMP CC/C=C/C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000453332240 388048698 /nfs/dbraw/zinc/04/86/98/388048698.db2.gz VTNFZKLMTDQAFK-DACWGTRXSA-N 2 1 222.376 2.415 20 0 BEADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000423270204 388048883 /nfs/dbraw/zinc/04/88/83/388048883.db2.gz GHEBNJUBZUOUFD-UONOGXRCSA-N 2 1 218.344 2.465 20 0 BEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)[C@@H]1CCCO1 ZINC000423271199 388049403 /nfs/dbraw/zinc/04/94/03/388049403.db2.gz XMYQLDCIPYARTN-YUTCNCBUSA-N 2 1 240.391 2.051 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000449330516 388174167 /nfs/dbraw/zinc/17/41/67/388174167.db2.gz UKSQVYFHWWCYKW-JHJVBQTASA-N 2 1 244.448 2.448 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000449330516 388174168 /nfs/dbraw/zinc/17/41/68/388174168.db2.gz UKSQVYFHWWCYKW-JHJVBQTASA-N 2 1 244.448 2.448 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccoc2)C1 ZINC000449089318 388141593 /nfs/dbraw/zinc/14/15/93/388141593.db2.gz JWELQWYAMXSTDC-GXTWGEPZSA-N 2 1 236.359 2.142 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cc1ccoc1 ZINC000449109143 388143865 /nfs/dbraw/zinc/14/38/65/388143865.db2.gz VHCQVYCZLZYERX-NSHDSACASA-N 2 1 233.315 2.005 20 0 BEADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc2cccnc2o1 ZINC000449109907 388144082 /nfs/dbraw/zinc/14/40/82/388144082.db2.gz ZLDKABPSZVXMBF-LLVKDONJSA-N 2 1 247.342 2.258 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)C2CC2)[C@H](C)C1 ZINC000449440039 388207037 /nfs/dbraw/zinc/20/70/37/388207037.db2.gz KAAVRKKGRUQBIK-NQBHXWOUSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@H](Cc1ccoc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561257 388233032 /nfs/dbraw/zinc/23/30/32/388233032.db2.gz TWGOTNVPZXUEOL-JZIBPQBNSA-N 2 1 248.370 2.425 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561479 388233047 /nfs/dbraw/zinc/23/30/47/388233047.db2.gz VNWBGGMUHYIRLH-JWURUJNWSA-N 2 1 222.376 2.390 20 0 BEADMP C[C@H]1CC[N@@H+](CCC(C)(C)C)C[C@@H]1C[NH3+] ZINC000164665351 388242160 /nfs/dbraw/zinc/24/21/60/388242160.db2.gz SBIHQKKKMLLHFJ-RYUDHWBXSA-N 2 1 212.381 2.339 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000164659520 388242309 /nfs/dbraw/zinc/24/23/09/388242309.db2.gz VLLGTZBBXFOEDW-OLZOCXBDSA-N 2 1 212.381 2.339 20 0 BEADMP C[C@@H](c1cccnc1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585616 388283196 /nfs/dbraw/zinc/28/31/96/388283196.db2.gz YOJAZWBQIYJTSE-AEGPPILISA-N 2 1 245.370 2.074 20 0 BEADMP C[C@@H](c1cccnc1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585616 388283198 /nfs/dbraw/zinc/28/31/98/388283198.db2.gz YOJAZWBQIYJTSE-AEGPPILISA-N 2 1 245.370 2.074 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](SC)C1 ZINC000451327004 388263651 /nfs/dbraw/zinc/26/36/51/388263651.db2.gz RUKJOBWXVILEET-GFCCVEGCSA-N 2 1 230.421 2.156 20 0 BEADMP CCC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccccc1 ZINC000233295568 388345228 /nfs/dbraw/zinc/34/52/28/388345228.db2.gz LDDSMRPHYVXLDL-WCQYABFASA-N 2 1 206.333 2.465 20 0 BEADMP CCC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccccc1 ZINC000233295936 388345411 /nfs/dbraw/zinc/34/54/11/388345411.db2.gz LDDSMRPHYVXLDL-DGCLKSJQSA-N 2 1 206.333 2.465 20 0 BEADMP C[C@@H](C[NH3+])[NH2+]CC[C@H](C)c1ccccc1 ZINC000235131935 388365232 /nfs/dbraw/zinc/36/52/32/388365232.db2.gz IYPBDLLXAHPNQN-RYUDHWBXSA-N 2 1 206.333 2.117 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000235148029 388366770 /nfs/dbraw/zinc/36/67/70/388366770.db2.gz JCMULZMCBMJUIK-DJLDLDEBSA-N 2 1 224.270 2.044 20 0 BEADMP Cc1cc([C@@H](C)[NH2+][C@H](C)CN)c(C)s1 ZINC000235461926 388369301 /nfs/dbraw/zinc/36/93/01/388369301.db2.gz AMFHFSQVMANWTN-VXNVDRBHSA-N 2 1 212.362 2.363 20 0 BEADMP Cc1cc([C@@H](C)[NH2+][C@H](C)C[NH3+])c(C)s1 ZINC000235461926 388369304 /nfs/dbraw/zinc/36/93/04/388369304.db2.gz AMFHFSQVMANWTN-VXNVDRBHSA-N 2 1 212.362 2.363 20 0 BEADMP C[C@H]1CCC[C@@H](C[NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000235623012 388373186 /nfs/dbraw/zinc/37/31/86/388373186.db2.gz LFHCVPGZQVEYMQ-YNEHKIRRSA-N 2 1 210.365 2.154 20 0 BEADMP CCC1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000572777816 388375617 /nfs/dbraw/zinc/37/56/17/388375617.db2.gz JZBHZXZUONSBAQ-UHFFFAOYSA-N 2 1 235.375 2.475 20 0 BEADMP Cc1cnccc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000294835591 388405675 /nfs/dbraw/zinc/40/56/75/388405675.db2.gz STNNONIBDOEAGH-UHFFFAOYSA-N 2 1 235.375 2.067 20 0 BEADMP C[N@@H+](CCCC[NH2+]CC1(C)CC1)C1CC1 ZINC000572813603 388377707 /nfs/dbraw/zinc/37/77/07/388377707.db2.gz CWENBZQRSVVCFQ-UHFFFAOYSA-N 2 1 210.365 2.251 20 0 BEADMP Cc1occc1C[N@H+](C)CCCc1cncn1C ZINC000572852791 388381625 /nfs/dbraw/zinc/38/16/25/388381625.db2.gz MWGSKUUVGBWOOD-UHFFFAOYSA-N 2 1 247.342 2.386 20 0 BEADMP Cc1occc1C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000572852791 388381628 /nfs/dbraw/zinc/38/16/28/388381628.db2.gz MWGSKUUVGBWOOD-UHFFFAOYSA-N 2 1 247.342 2.386 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)CC[C@@H]1[NH3+] ZINC000300785730 388393840 /nfs/dbraw/zinc/39/38/40/388393840.db2.gz BEBQREPYARJJFF-MXWKQRLJSA-N 2 1 232.318 2.091 20 0 BEADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H]1CCSC1 ZINC000308628845 388446067 /nfs/dbraw/zinc/44/60/67/388446067.db2.gz WMLBUOMWSYITRC-GFCCVEGCSA-N 2 1 242.432 2.204 20 0 BEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CC[C@@H]1CCCO1 ZINC000308634975 388446545 /nfs/dbraw/zinc/44/65/45/388446545.db2.gz MTJGTEFQTNHFNA-ZDUSSCGKSA-N 2 1 240.391 2.020 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000573021872 388407325 /nfs/dbraw/zinc/40/73/25/388407325.db2.gz NQDHGIQJXFIBNR-DABQJJPHSA-N 2 1 231.343 2.036 20 0 BEADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000166648607 388429708 /nfs/dbraw/zinc/42/97/08/388429708.db2.gz SYXDLIYCVKIPGB-BNOWGMLFSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@](C)(C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)OC ZINC000322511802 388437085 /nfs/dbraw/zinc/43/70/85/388437085.db2.gz JBNQTNIHAQSPDG-REWJHTLYSA-N 2 1 242.407 2.120 20 0 BEADMP CC[C@](C)(C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)OC ZINC000322511800 388437271 /nfs/dbraw/zinc/43/72/71/388437271.db2.gz JBNQTNIHAQSPDG-AAVRWANBSA-N 2 1 242.407 2.120 20 0 BEADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CC1(C)C ZINC000397580204 388480216 /nfs/dbraw/zinc/48/02/16/388480216.db2.gz HAXIBJAHGBGZGO-OLZOCXBDSA-N 2 1 224.392 2.495 20 0 BEADMP F[C@@H]1CCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340529462 388492529 /nfs/dbraw/zinc/49/25/29/388492529.db2.gz JVIAENNPGYMVAX-LOWDOPEQSA-N 2 1 226.339 2.093 20 0 BEADMP F[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340529462 388492530 /nfs/dbraw/zinc/49/25/30/388492530.db2.gz JVIAENNPGYMVAX-LOWDOPEQSA-N 2 1 226.339 2.093 20 0 BEADMP F[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340529462 388492533 /nfs/dbraw/zinc/49/25/33/388492533.db2.gz JVIAENNPGYMVAX-LOWDOPEQSA-N 2 1 226.339 2.093 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397721441 388494949 /nfs/dbraw/zinc/49/49/49/388494949.db2.gz WJBJNPIBMHQKIH-YOVYLDAJSA-N 2 1 222.376 2.103 20 0 BEADMP C[C@@H]1CCCC[N@H+]1CCCc1cncn1C ZINC000564342694 388517660 /nfs/dbraw/zinc/51/76/60/388517660.db2.gz GZYJOZVYHQOZGV-GFCCVEGCSA-N 2 1 221.348 2.227 20 0 BEADMP c1ccc([C@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)nc1 ZINC000516973477 388530170 /nfs/dbraw/zinc/53/01/70/388530170.db2.gz UMTBJOILTKSCND-UKRRQHHQSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@H]1C ZINC000245558749 388589316 /nfs/dbraw/zinc/58/93/16/388589316.db2.gz BHAIOBIZDVCTJN-MGPQQGTHSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000245558749 388589318 /nfs/dbraw/zinc/58/93/18/388589318.db2.gz BHAIOBIZDVCTJN-MGPQQGTHSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC000245558749 388589320 /nfs/dbraw/zinc/58/93/20/388589320.db2.gz BHAIOBIZDVCTJN-MGPQQGTHSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000245634791 388595005 /nfs/dbraw/zinc/59/50/05/388595005.db2.gz BSTWGJPXWSPUKG-STQMWFEESA-N 2 1 212.381 2.306 20 0 BEADMP CO[C@H](C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000379232142 388599535 /nfs/dbraw/zinc/59/95/35/388599535.db2.gz STVCTTYVGSLHTR-BPLDGKMQSA-N 2 1 248.370 2.043 20 0 BEADMP CO[C@H](C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000379232144 388599618 /nfs/dbraw/zinc/59/96/18/388599618.db2.gz STVCTTYVGSLHTR-VHDGCEQUSA-N 2 1 248.370 2.043 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCC(C)(F)F)CC[N@H+]1C ZINC000357715625 388553100 /nfs/dbraw/zinc/55/31/00/388553100.db2.gz YFXHLOLOXMWKNZ-NXEZZACHSA-N 2 1 220.307 2.104 20 0 BEADMP CCOc1cccc(C[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000385062081 388573484 /nfs/dbraw/zinc/57/34/84/388573484.db2.gz UXPWPQCFAYOKIL-UHFFFAOYSA-N 2 1 234.343 2.007 20 0 BEADMP CCSCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000164030703 135212701 /nfs/dbraw/zinc/21/27/01/135212701.db2.gz UUSDBDCPOYMSRM-VXGBXAGGSA-N 2 1 230.421 2.202 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCSC)[C@@H](C)C1 ZINC000245423589 388577863 /nfs/dbraw/zinc/57/78/63/388577863.db2.gz JOGBDUCKUMMYFF-QWHCGFSZSA-N 2 1 244.448 2.402 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCSC)[C@@H](C)C1 ZINC000245423589 388577866 /nfs/dbraw/zinc/57/78/66/388577866.db2.gz JOGBDUCKUMMYFF-QWHCGFSZSA-N 2 1 244.448 2.402 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCSC)[C@@H](C)C1 ZINC000245423589 388577867 /nfs/dbraw/zinc/57/78/67/388577867.db2.gz JOGBDUCKUMMYFF-QWHCGFSZSA-N 2 1 244.448 2.402 20 0 BEADMP CCCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000245412384 388577954 /nfs/dbraw/zinc/57/79/54/388577954.db2.gz ALXVSQKROVXQKK-CHWSQXEVSA-N 2 1 212.381 2.449 20 0 BEADMP CCCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000245412384 388577956 /nfs/dbraw/zinc/57/79/56/388577956.db2.gz ALXVSQKROVXQKK-CHWSQXEVSA-N 2 1 212.381 2.449 20 0 BEADMP CCCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000245412384 388577958 /nfs/dbraw/zinc/57/79/58/388577958.db2.gz ALXVSQKROVXQKK-CHWSQXEVSA-N 2 1 212.381 2.449 20 0 BEADMP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248154197 388674113 /nfs/dbraw/zinc/67/41/13/388674113.db2.gz RECAQBROWPGEJY-NQBHXWOUSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248154197 388674116 /nfs/dbraw/zinc/67/41/16/388674116.db2.gz RECAQBROWPGEJY-NQBHXWOUSA-N 2 1 210.365 2.247 20 0 BEADMP F[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000551310083 388626967 /nfs/dbraw/zinc/62/69/67/388626967.db2.gz TUNDDQIWFRCZHI-KGLIPLIRSA-N 2 1 240.366 2.341 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000530216405 388629928 /nfs/dbraw/zinc/62/99/28/388629928.db2.gz BHQYIMAWPYHNHG-PWSUYJOCSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000530216402 388630697 /nfs/dbraw/zinc/63/06/97/388630697.db2.gz BHQYIMAWPYHNHG-CMPLNLGQSA-N 2 1 210.365 2.092 20 0 BEADMP CC1(C)CC(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000530220174 388632185 /nfs/dbraw/zinc/63/21/85/388632185.db2.gz LUBUQLGBXQZEDN-OLZOCXBDSA-N 2 1 222.376 2.106 20 0 BEADMP CC(C)([NH2+]CCC[NH3+])c1nc2ccccc2s1 ZINC000530224663 388634204 /nfs/dbraw/zinc/63/42/04/388634204.db2.gz SSPYCCLEUQOHCD-UHFFFAOYSA-N 2 1 249.383 2.470 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC000530224055 388634561 /nfs/dbraw/zinc/63/45/61/388634561.db2.gz KQZIMEQPCBKFLN-NQBHXWOUSA-N 2 1 224.392 2.399 20 0 BEADMP Cc1cccc([C@@H]([NH2+]CC[NH3+])C(C)C)c1 ZINC000530233846 388636442 /nfs/dbraw/zinc/63/64/42/388636442.db2.gz JGTZQIOHYURREL-ZDUSSCGKSA-N 2 1 206.333 2.240 20 0 BEADMP CCC[N@@H+](Cc1ccc(OC)cc1)C[C@H](C)[NH3+] ZINC000530233652 388636480 /nfs/dbraw/zinc/63/64/80/388636480.db2.gz ZPUIPIUTJBBOED-LBPRGKRZSA-N 2 1 236.359 2.254 20 0 BEADMP CCC[N@H+](Cc1ccc(OC)cc1)C[C@H](C)[NH3+] ZINC000530233652 388636483 /nfs/dbraw/zinc/63/64/83/388636483.db2.gz ZPUIPIUTJBBOED-LBPRGKRZSA-N 2 1 236.359 2.254 20 0 BEADMP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1nccs1 ZINC000251284475 388643005 /nfs/dbraw/zinc/64/30/05/388643005.db2.gz SMFZTULDWITULI-DCAQKATOSA-N 2 1 239.388 2.311 20 0 BEADMP C[N@@H+](CC1CC[NH2+]CC1)C1(C)CCCC1 ZINC000261551671 388643441 /nfs/dbraw/zinc/64/34/41/388643441.db2.gz QTZNKVVHIMXALF-UHFFFAOYSA-N 2 1 210.365 2.251 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C)[C@@H](C)C1 ZINC000246893602 388654974 /nfs/dbraw/zinc/65/49/74/388654974.db2.gz FMWNDGYPTPCJLG-NWDGAFQWSA-N 2 1 212.381 2.352 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)CCCOC ZINC000247001045 388656669 /nfs/dbraw/zinc/65/66/69/388656669.db2.gz LPOMWDGMTQPBRF-CHWSQXEVSA-N 2 1 230.396 2.121 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCCOC ZINC000247001045 388656671 /nfs/dbraw/zinc/65/66/71/388656671.db2.gz LPOMWDGMTQPBRF-CHWSQXEVSA-N 2 1 230.396 2.121 20 0 BEADMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246973283 388656872 /nfs/dbraw/zinc/65/68/72/388656872.db2.gz JFJOYZJKTJTOJJ-RNJOBUHISA-N 2 1 212.381 2.493 20 0 BEADMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246973283 388656875 /nfs/dbraw/zinc/65/68/75/388656875.db2.gz JFJOYZJKTJTOJJ-RNJOBUHISA-N 2 1 212.381 2.493 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C(C)(C)C)C1 ZINC000247050637 388657521 /nfs/dbraw/zinc/65/75/21/388657521.db2.gz NHGVLOTUEQJQHI-NEPJUHHUSA-N 2 1 212.381 2.352 20 0 BEADMP COC[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000247049953 388657624 /nfs/dbraw/zinc/65/76/24/388657624.db2.gz NFMOQWFDYOLNLN-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)C(C)C)C1 ZINC000247056024 388657695 /nfs/dbraw/zinc/65/76/95/388657695.db2.gz NMLVNUJEHIOCNI-CHWSQXEVSA-N 2 1 212.381 2.352 20 0 BEADMP COCC[C@H](C)[NH2+][C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000247130272 388659496 /nfs/dbraw/zinc/65/94/96/388659496.db2.gz RRHNMIKRBQVSIG-IHRRRGAJSA-N 2 1 242.407 2.121 20 0 BEADMP COCC[C@H](C)[NH2+][C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000247130272 388659497 /nfs/dbraw/zinc/65/94/97/388659497.db2.gz RRHNMIKRBQVSIG-IHRRRGAJSA-N 2 1 242.407 2.121 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C2CCC2)C1 ZINC000247183474 388660114 /nfs/dbraw/zinc/66/01/14/388660114.db2.gz VIUJXJAPEZGCBH-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)C2CC2)[C@H](C)C1 ZINC000247311433 388662505 /nfs/dbraw/zinc/66/25/05/388662505.db2.gz KAAVRKKGRUQBIK-WZRBSPASSA-N 2 1 210.365 2.105 20 0 BEADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CCC1 ZINC000143852938 388738608 /nfs/dbraw/zinc/73/86/08/388738608.db2.gz HARXBOJQLZFTRO-UHFFFAOYSA-N 2 1 230.355 2.317 20 0 BEADMP c1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000248755681 388693603 /nfs/dbraw/zinc/69/36/03/388693603.db2.gz IONPZCPSSSCTFZ-HOTGVXAUSA-N 2 1 244.382 2.446 20 0 BEADMP CCOC(C)(C)C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000249207536 388712724 /nfs/dbraw/zinc/71/27/24/388712724.db2.gz WUJZZZZPBOTJEM-STQMWFEESA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)C1CC1 ZINC000226315839 388715229 /nfs/dbraw/zinc/71/52/29/388715229.db2.gz VUNNSDBAXKQJGS-AGIUHOORSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)C1CC1 ZINC000226315839 388715231 /nfs/dbraw/zinc/71/52/31/388715231.db2.gz VUNNSDBAXKQJGS-AGIUHOORSA-N 2 1 224.392 2.495 20 0 BEADMP CCC[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000249396021 388719538 /nfs/dbraw/zinc/71/95/38/388719538.db2.gz SUOIYUUXAWCDRU-STQMWFEESA-N 2 1 212.381 2.449 20 0 BEADMP CCC[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000249396021 388719540 /nfs/dbraw/zinc/71/95/40/388719540.db2.gz SUOIYUUXAWCDRU-STQMWFEESA-N 2 1 212.381 2.449 20 0 BEADMP CCC[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000249396021 388719542 /nfs/dbraw/zinc/71/95/42/388719542.db2.gz SUOIYUUXAWCDRU-STQMWFEESA-N 2 1 212.381 2.449 20 0 BEADMP C[N@@H+](CCC(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000226448846 388719989 /nfs/dbraw/zinc/71/99/89/388719989.db2.gz XTZBEMOJDLYEEF-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H](C1CC1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000252656619 388770438 /nfs/dbraw/zinc/77/04/38/388770438.db2.gz KKOOLZVGFCUJIQ-DGCLKSJQSA-N 2 1 210.365 2.201 20 0 BEADMP Cc1ccsc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228152676 388771527 /nfs/dbraw/zinc/77/15/27/388771527.db2.gz PMGFEGCVGCHVNX-QWRGUYRKSA-N 2 1 224.373 2.226 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)CC1CC1 ZINC000252708696 388771817 /nfs/dbraw/zinc/77/18/17/388771817.db2.gz AWFBXDRQPJOYGL-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)CC1CC1 ZINC000252708696 388771821 /nfs/dbraw/zinc/77/18/21/388771821.db2.gz AWFBXDRQPJOYGL-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)C2CC2)C1 ZINC000252717145 388775673 /nfs/dbraw/zinc/77/56/73/388775673.db2.gz ZWAFCOFRNMHMNP-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCC1CC1 ZINC000252730838 388777218 /nfs/dbraw/zinc/77/72/18/388777218.db2.gz NBLLYTJEBVIXJH-WCQYABFASA-N 2 1 210.365 2.106 20 0 BEADMP CCC[N@H+](CCCc1c[nH+]cn1C)C(C)C ZINC000564224043 388778123 /nfs/dbraw/zinc/77/81/23/388778123.db2.gz RDYWFFQSKSWEOL-UHFFFAOYSA-N 2 1 223.364 2.473 20 0 BEADMP CCC[N@@H+](CCCc1c[nH+]cn1C)C(C)C ZINC000564224043 388778127 /nfs/dbraw/zinc/77/81/27/388778127.db2.gz RDYWFFQSKSWEOL-UHFFFAOYSA-N 2 1 223.364 2.473 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000228987609 388778272 /nfs/dbraw/zinc/77/82/72/388778272.db2.gz JFLMCKHONSKUBU-XQQFMLRXSA-N 2 1 212.381 2.339 20 0 BEADMP CC(C)C1CC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000232551257 388852458 /nfs/dbraw/zinc/85/24/58/388852458.db2.gz HLSZLZWEXAHREH-IYXRBSQSSA-N 2 1 236.403 2.495 20 0 BEADMP CC(C)C1CC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000232551236 388853038 /nfs/dbraw/zinc/85/30/38/388853038.db2.gz HLSZLZWEXAHREH-HSBZDZAISA-N 2 1 236.403 2.495 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cccc(O)c1 ZINC000271835755 389025294 /nfs/dbraw/zinc/02/52/94/389025294.db2.gz SUGKJBIGCPSSRZ-LLVKDONJSA-N 2 1 245.326 2.248 20 0 BEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cncc(F)c1 ZINC000271883887 389025461 /nfs/dbraw/zinc/02/54/61/389025461.db2.gz QDUNSTBJQADAAP-LLVKDONJSA-N 2 1 249.333 2.133 20 0 BEADMP Cc1cc[nH+]c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000268884534 132193345 /nfs/dbraw/zinc/19/33/45/132193345.db2.gz WUPCNWGIFLTYJI-UONOGXRCSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cc[nH+]c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000268884534 132193348 /nfs/dbraw/zinc/19/33/48/132193348.db2.gz WUPCNWGIFLTYJI-UONOGXRCSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cccc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)[nH+]1 ZINC000277112454 132207390 /nfs/dbraw/zinc/20/73/90/132207390.db2.gz YDBMYVLSRMLQSJ-KGLIPLIRSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cccc(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)[nH+]1 ZINC000277112454 132207391 /nfs/dbraw/zinc/20/73/91/132207391.db2.gz YDBMYVLSRMLQSJ-KGLIPLIRSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cccc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)[nH+]1 ZINC000277112449 132207445 /nfs/dbraw/zinc/20/74/45/132207445.db2.gz YDBMYVLSRMLQSJ-KBPBESRZSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cccc(N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)[nH+]1 ZINC000277112449 132207448 /nfs/dbraw/zinc/20/74/48/132207448.db2.gz YDBMYVLSRMLQSJ-KBPBESRZSA-N 2 1 245.370 2.311 20 0 BEADMP C[C@@H]1C[C@H]([NH+](C)CC2CC(F)(F)C2)CC[N@@H+]1C ZINC000336185998 134121400 /nfs/dbraw/zinc/12/14/00/134121400.db2.gz JQXVIZQWZINGKG-ZYHUDNBSSA-N 2 1 246.345 2.446 20 0 BEADMP C[C@@H]1C[C@H]([NH+](C)CC2CC(F)(F)C2)CC[N@H+]1C ZINC000336185998 134121401 /nfs/dbraw/zinc/12/14/01/134121401.db2.gz JQXVIZQWZINGKG-ZYHUDNBSSA-N 2 1 246.345 2.446 20 0 BEADMP C[C@@H]1C[C@H]([N@H+](C)CC2CC(F)(F)C2)CC[NH+]1C ZINC000336185998 134121402 /nfs/dbraw/zinc/12/14/02/134121402.db2.gz JQXVIZQWZINGKG-ZYHUDNBSSA-N 2 1 246.345 2.446 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+](C)CC2CC(F)(F)C2)CC[NH+]1C ZINC000336185998 134121403 /nfs/dbraw/zinc/12/14/03/134121403.db2.gz JQXVIZQWZINGKG-ZYHUDNBSSA-N 2 1 246.345 2.446 20 0 BEADMP C[NH2+]C[C@@H](C)CNc1cc[nH+]cc1Cl ZINC000168360867 134197766 /nfs/dbraw/zinc/19/77/66/134197766.db2.gz BFJDHTKWKSBXME-MRVPVSSYSA-N 2 1 213.712 2.002 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000218062302 134251502 /nfs/dbraw/zinc/25/15/02/134251502.db2.gz LHXUCJDWVYSDEG-STQMWFEESA-N 2 1 233.359 2.074 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC000218062302 134251503 /nfs/dbraw/zinc/25/15/03/134251503.db2.gz LHXUCJDWVYSDEG-STQMWFEESA-N 2 1 233.359 2.074 20 0 BEADMP C[C@@H](CC[NH3+])[NH2+]Cc1sccc1Cl ZINC000220502918 134309056 /nfs/dbraw/zinc/30/90/56/134309056.db2.gz NABFFUDPAQVJHD-ZETCQYMHSA-N 2 1 218.753 2.228 20 0 BEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[Si](C)(C)C)CC[C@@H]21 ZINC000178629255 134312130 /nfs/dbraw/zinc/31/21/30/134312130.db2.gz FWVDWNAGQWSCES-OLZOCXBDSA-N 2 1 240.467 2.280 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[Si](C)(C)C)CC[C@@H]21 ZINC000178629255 134312131 /nfs/dbraw/zinc/31/21/31/134312131.db2.gz FWVDWNAGQWSCES-OLZOCXBDSA-N 2 1 240.467 2.280 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[Si](C)(C)C)CC[C@@H]21 ZINC000178629255 134312132 /nfs/dbraw/zinc/31/21/32/134312132.db2.gz FWVDWNAGQWSCES-OLZOCXBDSA-N 2 1 240.467 2.280 20 0 BEADMP CC(C)[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178973764 134313854 /nfs/dbraw/zinc/31/38/54/134313854.db2.gz UVKOWESIIKSBQR-AWEZNQCLSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)CC(C)C ZINC000179308064 134319510 /nfs/dbraw/zinc/31/95/10/134319510.db2.gz TUMVKMUVFGPVMH-ZDUSSCGKSA-N 2 1 212.381 2.449 20 0 BEADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)CC(C)C ZINC000179308064 134319511 /nfs/dbraw/zinc/31/95/11/134319511.db2.gz TUMVKMUVFGPVMH-ZDUSSCGKSA-N 2 1 212.381 2.449 20 0 BEADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)CC(C)C ZINC000179308064 134319512 /nfs/dbraw/zinc/31/95/12/134319512.db2.gz TUMVKMUVFGPVMH-ZDUSSCGKSA-N 2 1 212.381 2.449 20 0 BEADMP CC[C@@H](C)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000179309684 134320108 /nfs/dbraw/zinc/32/01/08/134320108.db2.gz ZKORIVSUVXKBSW-CYBMUJFWSA-N 2 1 212.381 2.450 20 0 BEADMP COc1ccccc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000179637123 134323105 /nfs/dbraw/zinc/32/31/05/134323105.db2.gz MEUPTQMESBOREY-CYBMUJFWSA-N 2 1 248.370 2.079 20 0 BEADMP COc1ccccc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000179637123 134323106 /nfs/dbraw/zinc/32/31/06/134323106.db2.gz MEUPTQMESBOREY-CYBMUJFWSA-N 2 1 248.370 2.079 20 0 BEADMP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000222020922 134329435 /nfs/dbraw/zinc/32/94/35/134329435.db2.gz SIYXPCRGCOCYCW-BNOWGMLFSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000222020922 134329436 /nfs/dbraw/zinc/32/94/36/134329436.db2.gz SIYXPCRGCOCYCW-BNOWGMLFSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(C)CC1 ZINC000222191613 134330083 /nfs/dbraw/zinc/33/00/83/134330083.db2.gz MNCPLLRIZULHKZ-WOPDTQHZSA-N 2 1 210.365 2.105 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC000226419705 134365919 /nfs/dbraw/zinc/36/59/19/134365919.db2.gz NDAGZHGCYBWEQL-CYBMUJFWSA-N 2 1 210.365 2.237 20 0 BEADMP CN(CC[N@H+](C)C1CC1)c1cc[nH+]cc1Cl ZINC000184786261 134370159 /nfs/dbraw/zinc/37/01/59/134370159.db2.gz QOSOYAYYIANUSD-UHFFFAOYSA-N 2 1 239.750 2.265 20 0 BEADMP CN(CC[N@@H+](C)C1CC1)c1cc[nH+]cc1Cl ZINC000184786261 134370160 /nfs/dbraw/zinc/37/01/60/134370160.db2.gz QOSOYAYYIANUSD-UHFFFAOYSA-N 2 1 239.750 2.265 20 0 BEADMP CC[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000227204261 134375948 /nfs/dbraw/zinc/37/59/48/134375948.db2.gz HTLOIIFJKSVNMK-WUHRBBMRSA-N 2 1 212.381 2.351 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CC[C@@H](C)C1 ZINC000229285702 134444169 /nfs/dbraw/zinc/44/41/69/134444169.db2.gz KSNKPKQMWILXIB-UPJWGTAASA-N 2 1 212.381 2.495 20 0 BEADMP CCOC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000249173675 135036166 /nfs/dbraw/zinc/03/61/66/135036166.db2.gz YATGETYOJXOGMW-JHJVBQTASA-N 2 1 242.407 2.120 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)C2(C)CC2)C1 ZINC000249380221 135037854 /nfs/dbraw/zinc/03/78/54/135037854.db2.gz PVVZWCUMLHUSID-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP CCCCOCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249904779 135047845 /nfs/dbraw/zinc/04/78/45/135047845.db2.gz XTPIKNBNZCNBEZ-KBPBESRZSA-N 2 1 240.391 2.020 20 0 BEADMP CCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251327677 135068111 /nfs/dbraw/zinc/06/81/11/135068111.db2.gz MUAWYPUPNOEPCQ-XQQFMLRXSA-N 2 1 210.365 2.391 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)[C@H]1C ZINC000251840343 135078778 /nfs/dbraw/zinc/07/87/78/135078778.db2.gz OCXYJURIFZNPON-MBNYWOFBSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+]C2)[C@@H]1C ZINC000251874041 135080702 /nfs/dbraw/zinc/08/07/02/135080702.db2.gz QSPKIPKQDPKCGA-NDBYEHHHSA-N 2 1 210.365 2.153 20 0 BEADMP CC[C@H](C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252028708 135082476 /nfs/dbraw/zinc/08/24/76/135082476.db2.gz YVGHZDKCZGZPLW-XQQFMLRXSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1CCC[N@H+](CC[NH2+]C(C)(C)C)[C@H]1C ZINC000252097482 135083290 /nfs/dbraw/zinc/08/32/90/135083290.db2.gz FRONUNUWBYTUGP-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H]1CCC[N@@H+](CC[NH2+]C(C)(C)C)[C@H]1C ZINC000252097482 135083292 /nfs/dbraw/zinc/08/32/92/135083292.db2.gz FRONUNUWBYTUGP-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1CCC[N@H+](CC[NH2+]C(C)(C)C)[C@H]1C ZINC000252097481 135083919 /nfs/dbraw/zinc/08/39/19/135083919.db2.gz FRONUNUWBYTUGP-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC[NH2+]C(C)(C)C)[C@H]1C ZINC000252097481 135083920 /nfs/dbraw/zinc/08/39/20/135083920.db2.gz FRONUNUWBYTUGP-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCS2)CC[N@H+]1C ZINC000252148266 135085778 /nfs/dbraw/zinc/08/57/78/135085778.db2.gz OGCPYAHJXZQHBB-FRRDWIJNSA-N 2 1 242.432 2.344 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1(C)CC1 ZINC000252179186 135085963 /nfs/dbraw/zinc/08/59/63/135085963.db2.gz SPKMFAIYGKRKCY-IJLUTSLNSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1(C)CC1 ZINC000252179186 135085965 /nfs/dbraw/zinc/08/59/65/135085965.db2.gz SPKMFAIYGKRKCY-IJLUTSLNSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252175278 135086013 /nfs/dbraw/zinc/08/60/13/135086013.db2.gz OUXRQVDXXIDWEB-RFGFWPKPSA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000252439516 135089194 /nfs/dbraw/zinc/08/91/94/135089194.db2.gz PPFDCIHSNHBGOP-RWMBFGLXSA-N 2 1 212.381 2.352 20 0 BEADMP Cc1nc(C)c(C[N@@H+](C)CC(C)(C)C[NH3+])s1 ZINC000086637608 135091766 /nfs/dbraw/zinc/09/17/66/135091766.db2.gz TUYYLOKECNDEDE-UHFFFAOYSA-N 2 1 241.404 2.177 20 0 BEADMP Cc1nc(C)c(C[N@H+](C)CC(C)(C)C[NH3+])s1 ZINC000086637608 135091768 /nfs/dbraw/zinc/09/17/68/135091768.db2.gz TUYYLOKECNDEDE-UHFFFAOYSA-N 2 1 241.404 2.177 20 0 BEADMP Clc1c[nH+]ccc1NC[C@H]1CCC[NH2+]C1 ZINC000086839755 135097531 /nfs/dbraw/zinc/09/75/31/135097531.db2.gz JDPPYOCDVBTCJK-VIFPVBQESA-N 2 1 225.723 2.147 20 0 BEADMP [NH3+]C[C@@H]1CCC[C@H]1Nc1cc[nH+]cc1Cl ZINC000086840120 135098667 /nfs/dbraw/zinc/09/86/67/135098667.db2.gz UDZUFQMNSZBVSU-WCBMZHEXSA-N 2 1 225.723 2.274 20 0 BEADMP CCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000252732460 135104776 /nfs/dbraw/zinc/10/47/76/135104776.db2.gz VDXFCZBOUYYXFI-STQMWFEESA-N 2 1 222.376 2.393 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000252894789 135116547 /nfs/dbraw/zinc/11/65/47/135116547.db2.gz WQPXUVKWDCBGPF-SMDDNHRTSA-N 2 1 236.334 2.256 20 0 BEADMP CSCC[C@@H](C)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000253073767 135120372 /nfs/dbraw/zinc/12/03/72/135120372.db2.gz PBTJEQDQHUXRTC-VXGBXAGGSA-N 2 1 230.421 2.059 20 0 BEADMP CSCC[C@H](C)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000253073766 135120402 /nfs/dbraw/zinc/12/04/02/135120402.db2.gz PBTJEQDQHUXRTC-NWDGAFQWSA-N 2 1 230.421 2.059 20 0 BEADMP C[C@H]1CC[N@@H+](Cc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000253199035 135124186 /nfs/dbraw/zinc/12/41/86/135124186.db2.gz WCKKLOUOPSZFKP-WCQYABFASA-N 2 1 236.334 2.242 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)C1 ZINC000253282338 135126282 /nfs/dbraw/zinc/12/62/82/135126282.db2.gz LGTFQYCPCKTWSO-KGYLQXTDSA-N 2 1 210.365 2.282 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000258944837 135136026 /nfs/dbraw/zinc/13/60/26/135136026.db2.gz KEHNPCXDVOZHNT-VXGBXAGGSA-N 2 1 224.735 2.309 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000257645074 135137749 /nfs/dbraw/zinc/13/77/49/135137749.db2.gz BVSSXABOMLFLMZ-CYBMUJFWSA-N 2 1 236.384 2.242 20 0 BEADMP C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257666724 135138140 /nfs/dbraw/zinc/13/81/40/135138140.db2.gz CVUABJCABQBNCF-ZFWWWQNUSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@@H](c1ccccn1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257666724 135138142 /nfs/dbraw/zinc/13/81/42/135138142.db2.gz CVUABJCABQBNCF-ZFWWWQNUSA-N 2 1 245.370 2.218 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000087472225 135142947 /nfs/dbraw/zinc/14/29/47/135142947.db2.gz QIMHNNHPOKIUCZ-CYBMUJFWSA-N 2 1 220.360 2.331 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])s1 ZINC000261529414 135155867 /nfs/dbraw/zinc/15/58/67/135155867.db2.gz RVDUOBQYFBGZBJ-UTLUCORTSA-N 2 1 212.362 2.443 20 0 BEADMP CCc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000261529291 135156155 /nfs/dbraw/zinc/15/61/55/135156155.db2.gz AOBAGDSKDXVXSO-WDEREUQCSA-N 2 1 206.333 2.074 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000261531310 135159756 /nfs/dbraw/zinc/15/97/56/135159756.db2.gz GBNNAFHQECLJLL-ATZCPNFKSA-N 2 1 224.373 2.451 20 0 BEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCC1CCCC1 ZINC000261531587 135160950 /nfs/dbraw/zinc/16/09/50/135160950.db2.gz HEGSHJVHWVDGEM-AAEUAGOBSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC1CCCC1 ZINC000261531590 135161188 /nfs/dbraw/zinc/16/11/88/135161188.db2.gz HEGSHJVHWVDGEM-YPMHNXCESA-N 2 1 210.365 2.236 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)o1 ZINC000087646508 135161318 /nfs/dbraw/zinc/16/13/18/135161318.db2.gz JPQLEYOUIQBNHZ-VXGBXAGGSA-N 2 1 222.332 2.238 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[C@@H](C)C2)C[C@@H]1[NH3+] ZINC000261531841 135161862 /nfs/dbraw/zinc/16/18/62/135161862.db2.gz IALMBPNPHJGOON-NDBYEHHHSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C)[C@H](C)C2)CC[NH2+]1 ZINC000261532388 135162267 /nfs/dbraw/zinc/16/22/67/135162267.db2.gz ARXCWQRKBJWRAI-AAVRWANBSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCS1 ZINC000087667826 135162734 /nfs/dbraw/zinc/16/27/34/135162734.db2.gz GQOHRAQPBBWBEP-NDBYEHHHSA-N 2 1 242.432 2.200 20 0 BEADMP C[C@H]1C[C@@H](C[N@@H+](C)CCC2CC2)CC[NH2+]1 ZINC000261533286 135164757 /nfs/dbraw/zinc/16/47/57/135164757.db2.gz KQAGFIPUOKFHDR-AAEUAGOBSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)[C@H]1C ZINC000261533510 135164853 /nfs/dbraw/zinc/16/48/53/135164853.db2.gz BEUSTCWIWJNKHW-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1cccc([C@H](C)[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000261533394 135164982 /nfs/dbraw/zinc/16/49/82/135164982.db2.gz HTVYZAUQVDUUAS-SGMGOOAPSA-N 2 1 218.344 2.335 20 0 BEADMP Cc1cccc([C@H](C)[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000261533394 135164984 /nfs/dbraw/zinc/16/49/84/135164984.db2.gz HTVYZAUQVDUUAS-SGMGOOAPSA-N 2 1 218.344 2.335 20 0 BEADMP C[C@H](C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000261533334 135165096 /nfs/dbraw/zinc/16/50/96/135165096.db2.gz GPMHLKIBQHNTNL-YRGRVCCFSA-N 2 1 218.344 2.069 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](C)[C@H]2C)CC[NH2+]1 ZINC000261533909 135165688 /nfs/dbraw/zinc/16/56/88/135165688.db2.gz LDGOYXDXDFYFRM-AAVRWANBSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000261533798 135166102 /nfs/dbraw/zinc/16/61/02/135166102.db2.gz LFHCVPGZQVEYMQ-AGIUHOORSA-N 2 1 210.365 2.154 20 0 BEADMP CC(C)C[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000261534209 135166452 /nfs/dbraw/zinc/16/64/52/135166452.db2.gz OTNOTEOISXTQPE-CHWSQXEVSA-N 2 1 224.392 2.495 20 0 BEADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCC(C)(C)C1 ZINC000261534482 135166901 /nfs/dbraw/zinc/16/69/01/135166901.db2.gz RDPKKIHJHGFTRL-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP Cc1nc(C)c([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])s1 ZINC000261535648 135170735 /nfs/dbraw/zinc/17/07/35/135170735.db2.gz OXGWRAQDYUNPRT-CSMHCCOUSA-N 2 1 227.377 2.146 20 0 BEADMP CC[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000261538470 135176250 /nfs/dbraw/zinc/17/62/50/135176250.db2.gz YFKGEZUVMPFYGK-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@H]1C[C@H](C)C[N@H+]1CC1CC[NH2+]CC1 ZINC000261539018 135176905 /nfs/dbraw/zinc/17/69/05/135176905.db2.gz BJONZPNEMNGSHX-AAEUAGOBSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1[NH3+] ZINC000261538910 135177497 /nfs/dbraw/zinc/17/74/97/135177497.db2.gz ZTDWQJFLWKRRLN-WCQYABFASA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@@H]1C[C@H](C)C[N@H+]1CC1CC[NH2+]CC1 ZINC000261539020 135177511 /nfs/dbraw/zinc/17/75/11/135177511.db2.gz BJONZPNEMNGSHX-WCQYABFASA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccc(OC)cc1 ZINC000261542176 135182766 /nfs/dbraw/zinc/18/27/66/135182766.db2.gz BXQPYVPLYMSERC-WDMOLILDSA-N 2 1 236.359 2.472 20 0 BEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261543629 135185029 /nfs/dbraw/zinc/18/50/29/135185029.db2.gz DCEQMKUTDBWVDG-BPLDGKMQSA-N 2 1 230.355 2.431 20 0 BEADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261548324 135187029 /nfs/dbraw/zinc/18/70/29/135187029.db2.gz NKKWLYVOQIBZHK-RWMBFGLXSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1ncsc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000084149535 135188078 /nfs/dbraw/zinc/18/80/78/135188078.db2.gz MYGYFDWLGYLNFM-KOLCDFICSA-N 2 1 239.388 2.011 20 0 BEADMP C[C@@H]1CCCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261551332 135189810 /nfs/dbraw/zinc/18/98/10/135189810.db2.gz QJGAGMVXVZPUCP-OLZOCXBDSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H]1CCCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261551331 135190118 /nfs/dbraw/zinc/19/01/18/135190118.db2.gz QJGAGMVXVZPUCP-CHWSQXEVSA-N 2 1 210.365 2.108 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1C ZINC000261553059 135191649 /nfs/dbraw/zinc/19/16/49/135191649.db2.gz ABOOVRFOPLPRTJ-CVEARBPZSA-N 2 1 244.382 2.487 20 0 BEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2occc21 ZINC000261553578 135192877 /nfs/dbraw/zinc/19/28/77/135192877.db2.gz OAUXYOBPOOQDSX-RTXFEEFZSA-N 2 1 234.343 2.245 20 0 BEADMP Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261554341 135193984 /nfs/dbraw/zinc/19/39/84/135193984.db2.gz ATVSFKSVLHOLPF-OCCSQVGLSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1ccc(F)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261554341 135193986 /nfs/dbraw/zinc/19/39/86/135193986.db2.gz ATVSFKSVLHOLPF-OCCSQVGLSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261556909 135197014 /nfs/dbraw/zinc/19/70/14/135197014.db2.gz CFRTWQJWHXLSGL-IMJJTQAJSA-N 2 1 244.382 2.473 20 0 BEADMP CCSCC[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000261557241 135197934 /nfs/dbraw/zinc/19/79/34/135197934.db2.gz XCLUCAZTNNVEEI-LBPRGKRZSA-N 2 1 230.421 2.204 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261558447 135199509 /nfs/dbraw/zinc/19/95/09/135199509.db2.gz SKVJENOJBNYOIF-GJZGRUSLSA-N 2 1 230.355 2.179 20 0 BEADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261560271 135201512 /nfs/dbraw/zinc/20/15/12/135201512.db2.gz FENSAJGFFFIEOV-HNNXBMFYSA-N 2 1 248.345 2.320 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261560271 135201514 /nfs/dbraw/zinc/20/15/14/135201514.db2.gz FENSAJGFFFIEOV-HNNXBMFYSA-N 2 1 248.345 2.320 20 0 BEADMP Cc1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261561678 135202526 /nfs/dbraw/zinc/20/25/26/135202526.db2.gz VPESSKODPJYVGW-CABCVRRESA-N 2 1 230.355 2.179 20 0 BEADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])c1 ZINC000261562563 135204595 /nfs/dbraw/zinc/20/45/95/135204595.db2.gz GMVJIAGOCANKOA-DCAQKATOSA-N 2 1 249.358 2.031 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261564734 135206656 /nfs/dbraw/zinc/20/66/56/135206656.db2.gz HLFFRXGXANSTNY-CQDKDKBSSA-N 2 1 248.345 2.303 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261564767 135207268 /nfs/dbraw/zinc/20/72/68/135207268.db2.gz HMOSLOKVLKLPNH-HOTGVXAUSA-N 2 1 244.382 2.345 20 0 BEADMP C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@](C)(C[NH3+])C2)C1 ZINC000261571040 135213264 /nfs/dbraw/zinc/21/32/64/135213264.db2.gz HILKKQXIYFMPLT-MGPQQGTHSA-N 2 1 224.392 2.483 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC000261572170 135213682 /nfs/dbraw/zinc/21/36/82/135213682.db2.gz LMSLJIOOTXITCN-HZPDHXFCSA-N 2 1 244.382 2.487 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000261574191 135216154 /nfs/dbraw/zinc/21/61/54/135216154.db2.gz MNKTVQRGEZGBFJ-UONOGXRCSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000261574191 135216155 /nfs/dbraw/zinc/21/61/55/135216155.db2.gz MNKTVQRGEZGBFJ-UONOGXRCSA-N 2 1 248.345 2.175 20 0 BEADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(F)c(F)c1 ZINC000261575835 135216834 /nfs/dbraw/zinc/21/68/34/135216834.db2.gz JXIXFERZWTXSMW-QMMMGPOBSA-N 2 1 228.286 2.353 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1F ZINC000261575515 135216987 /nfs/dbraw/zinc/21/69/87/135216987.db2.gz NDJLJECDSMWMIU-YDHLFZDLSA-N 2 1 248.345 2.303 20 0 BEADMP CCc1nc(N[C@H](C)[C@@H]2CCC[NH2+]C2)cc(C)[nH+]1 ZINC000261575899 135217520 /nfs/dbraw/zinc/21/75/20/135217520.db2.gz NIOUULBKYZSGKT-VXGBXAGGSA-N 2 1 248.374 2.147 20 0 BEADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1Cl ZINC000261576006 135217827 /nfs/dbraw/zinc/21/78/27/135217827.db2.gz KAJUCIWUKIJIQA-GXFFZTMASA-N 2 1 238.762 2.428 20 0 BEADMP CCc1nc(NC[C@@]2(C)CCC[NH2+]C2)cc(C)[nH+]1 ZINC000261577174 135218701 /nfs/dbraw/zinc/21/87/01/135218701.db2.gz OFSULVZGZYAGDI-AWEZNQCLSA-N 2 1 248.374 2.149 20 0 BEADMP CCC1(CC)C[N@H+](CC(C)(C)[NH3+])CCS1 ZINC000261580196 135220995 /nfs/dbraw/zinc/22/09/95/135220995.db2.gz MTXUPJBHEQRLJN-UHFFFAOYSA-N 2 1 230.421 2.331 20 0 BEADMP CCC1(CC)C[N@@H+](CC(C)(C)[NH3+])CCS1 ZINC000261580196 135220996 /nfs/dbraw/zinc/22/09/96/135220996.db2.gz MTXUPJBHEQRLJN-UHFFFAOYSA-N 2 1 230.421 2.331 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261583456 135223946 /nfs/dbraw/zinc/22/39/46/135223946.db2.gz RUAYTSLCBHWOSE-GJZGRUSLSA-N 2 1 244.382 2.345 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261583457 135224144 /nfs/dbraw/zinc/22/41/44/135224144.db2.gz RUAYTSLCBHWOSE-HUUCEWRRSA-N 2 1 244.382 2.345 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261584943 135226439 /nfs/dbraw/zinc/22/64/39/135226439.db2.gz SRSCIAHDAQXJOE-OAHLLOKOSA-N 2 1 248.345 2.320 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261584943 135226441 /nfs/dbraw/zinc/22/64/41/135226441.db2.gz SRSCIAHDAQXJOE-OAHLLOKOSA-N 2 1 248.345 2.320 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261585619 135226849 /nfs/dbraw/zinc/22/68/49/135226849.db2.gz TYCRLJLTKXELAM-GDBMZVCRSA-N 2 1 244.382 2.345 20 0 BEADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261590120 135231347 /nfs/dbraw/zinc/23/13/47/135231347.db2.gz WVHROFQIYLTENB-BNOWGMLFSA-N 2 1 248.345 2.428 20 0 BEADMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261590120 135231348 /nfs/dbraw/zinc/23/13/48/135231348.db2.gz WVHROFQIYLTENB-BNOWGMLFSA-N 2 1 248.345 2.428 20 0 BEADMP C[C@H]1CCC[C@H](C[N@@H+](C)C2CC[NH2+]CC2)C1 ZINC000261592014 135233066 /nfs/dbraw/zinc/23/30/66/135233066.db2.gz VQTSRFLOSWNUPG-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1F ZINC000261594616 135235109 /nfs/dbraw/zinc/23/51/09/135235109.db2.gz ZZYYJMFJFWPQCV-HIFRSBDPSA-N 2 1 248.345 2.318 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1F ZINC000261594616 135235110 /nfs/dbraw/zinc/23/51/10/135235110.db2.gz ZZYYJMFJFWPQCV-HIFRSBDPSA-N 2 1 248.345 2.318 20 0 BEADMP C(C1CC1)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCC1 ZINC000261790078 135253560 /nfs/dbraw/zinc/25/35/60/135253560.db2.gz GBYGOTALQXPDSS-CYBMUJFWSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@]1(C[N@H+]2CCC[C@@H]2C2CCC2)CC[NH2+]C1 ZINC000261866176 135257838 /nfs/dbraw/zinc/25/78/38/135257838.db2.gz NVPDWSBMSHJHAD-KGLIPLIRSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@]1(C[N@H+]2CCC[C@H]2c2ccc[nH]2)CC[NH2+]C1 ZINC000261878414 135259324 /nfs/dbraw/zinc/25/93/24/135259324.db2.gz QJZOMRMSMUUOLH-KBPBESRZSA-N 2 1 233.359 2.151 20 0 BEADMP COc1ccc([C@H](C)C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000261918701 135262679 /nfs/dbraw/zinc/26/26/79/135262679.db2.gz BJRCVZGZKAFYNS-LALPHHSUSA-N 2 1 248.370 2.078 20 0 BEADMP COc1ccc([C@H](C)C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000261918701 135262680 /nfs/dbraw/zinc/26/26/80/135262680.db2.gz BJRCVZGZKAFYNS-LALPHHSUSA-N 2 1 248.370 2.078 20 0 BEADMP CC[C@@H]1CCC[C@H](C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)C1 ZINC000261961715 135267334 /nfs/dbraw/zinc/26/73/34/135267334.db2.gz HJGBMLNDKDXVHO-MQYQWHSLSA-N 2 1 224.392 2.482 20 0 BEADMP c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cs1 ZINC000261986647 135269645 /nfs/dbraw/zinc/26/96/45/135269645.db2.gz JUMHUSUIGHLWQY-UHFFFAOYSA-N 2 1 236.384 2.324 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CC(C)(C)C1 ZINC000261985113 135269726 /nfs/dbraw/zinc/26/97/26/135269726.db2.gz RVGZBQXHIWFXSL-STQMWFEESA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1C[C@H](C)CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262018970 135272840 /nfs/dbraw/zinc/27/28/40/135272840.db2.gz MZAIOAJVQDWRDN-MGPQQGTHSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1CCC[C@@H](C)[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262043237 135276067 /nfs/dbraw/zinc/27/60/67/135276067.db2.gz PJMDZKLQCWQFGX-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@]1(C[N@@H+](CC2CC2)C2CCC2)CC[NH2+]C1 ZINC000262064459 135276523 /nfs/dbraw/zinc/27/65/23/135276523.db2.gz RLCBZPNZLHLUKP-CQSZACIVSA-N 2 1 222.376 2.251 20 0 BEADMP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C(C1CC1)C1CC1 ZINC000262089380 135278564 /nfs/dbraw/zinc/27/85/64/135278564.db2.gz URSZFVNIMPLKOP-AWEZNQCLSA-N 2 1 222.376 2.106 20 0 BEADMP Cc1ccc(F)cc1C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000262120293 135279811 /nfs/dbraw/zinc/27/98/11/135279811.db2.gz LVUHMVPPJSKXPQ-AWEZNQCLSA-N 2 1 236.334 2.351 20 0 BEADMP CC(C)(C)CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334357192 135372362 /nfs/dbraw/zinc/37/23/62/135372362.db2.gz PKVGWNDIYMADCN-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)C1 ZINC000299916049 135381571 /nfs/dbraw/zinc/38/15/71/135381571.db2.gz GXQFRDSJRVWWGQ-QPSCCSFWSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@H]1CCC[N@@H+](CCc2cncn2C)C1 ZINC000347738918 136004969 /nfs/dbraw/zinc/00/49/69/136004969.db2.gz WZBJNCCLHZSNMP-LBPRGKRZSA-N 2 1 221.348 2.085 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@](C)(F)C1 ZINC000348122164 136032620 /nfs/dbraw/zinc/03/26/20/136032620.db2.gz COBWKGIHRAESMH-ZDUSSCGKSA-N 2 1 239.338 2.406 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@](C)(F)C1 ZINC000348122164 136032621 /nfs/dbraw/zinc/03/26/21/136032621.db2.gz COBWKGIHRAESMH-ZDUSSCGKSA-N 2 1 239.338 2.406 20 0 BEADMP C1CC1[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000348072345 136033661 /nfs/dbraw/zinc/03/36/61/136033661.db2.gz AOQNAWVRKNEHMN-CABCVRRESA-N 2 1 234.387 2.391 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]C2CC(C)(F)C2)[C@@H](C)C1 ZINC000335373321 136084496 /nfs/dbraw/zinc/08/44/96/136084496.db2.gz HXQCGKVKYSFLMR-GMKTYKIGSA-N 2 1 228.355 2.197 20 0 BEADMP Cc1ccc2c(c1)[C@@H]([NH2+]CC1C[NH2+]C1)CCCO2 ZINC000335552573 136098406 /nfs/dbraw/zinc/09/84/06/136098406.db2.gz OZAMUUPIDSPKMQ-AWEZNQCLSA-N 2 1 246.354 2.018 20 0 BEADMP C[N@@H+](CCCC1CC[NH2+]CC1)C(C)(C)C ZINC000381958694 397851071 /nfs/dbraw/zinc/85/10/71/397851071.db2.gz FHJLPCWYFKZANX-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000388106832 397871759 /nfs/dbraw/zinc/87/17/59/397871759.db2.gz XVXHKKGSJKJTOS-RQJABVFESA-N 2 1 222.376 2.249 20 0 BEADMP Cc1c[nH+]ccc1NCC[N@H+]1CCCC(C)(C)C1 ZINC000358915564 397943082 /nfs/dbraw/zinc/94/30/82/397943082.db2.gz ORVWZODECCHYQQ-UHFFFAOYSA-N 2 1 247.386 2.346 20 0 BEADMP Cc1c[nH+]ccc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000358916103 397943314 /nfs/dbraw/zinc/94/33/14/397943314.db2.gz RBQKJCGCOVEYDS-AWEZNQCLSA-N 2 1 245.370 2.241 20 0 BEADMP CCc1cc(NCC[N@@H+]2CC=C(C)CC2)cc[nH+]1 ZINC000450442421 397963790 /nfs/dbraw/zinc/96/37/90/397963790.db2.gz WYBGZNRQRGFQOT-UHFFFAOYSA-N 2 1 245.370 2.130 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC(C)C1 ZINC000184343430 398033930 /nfs/dbraw/zinc/03/39/30/398033930.db2.gz PMXZPGDAPSFEJG-QWKFWESOSA-N 2 1 221.348 2.216 20 0 BEADMP CC[C@@H]1CCC[C@H]([NH2+][C@@H](C[NH3+])C2CC2)C1 ZINC000414792246 398038970 /nfs/dbraw/zinc/03/89/70/398038970.db2.gz BYVJQOWQSFHGHI-WXHSDQCUSA-N 2 1 210.365 2.282 20 0 BEADMP CC(C)CCC[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000054243378 397972753 /nfs/dbraw/zinc/97/27/53/397972753.db2.gz PQNMIEHKVPVSFJ-ZDUSSCGKSA-N 2 1 212.381 2.354 20 0 BEADMP C[C@@H]1C[C@@H](C)[N@@H+](CC2CCC2)C[C@@H]1C[NH3+] ZINC000397321480 397976642 /nfs/dbraw/zinc/97/66/42/397976642.db2.gz SXUIMHBGRVDDCH-WZRBSPASSA-N 2 1 210.365 2.092 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](CC)[C@H]1CCCOC1 ZINC000649755394 398086688 /nfs/dbraw/zinc/08/66/88/398086688.db2.gz MVAKSJBRKKCUFD-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)OC ZINC000383993537 398055062 /nfs/dbraw/zinc/05/50/62/398055062.db2.gz NMHJWAJLKZOGPY-CHWSQXEVSA-N 2 1 242.407 2.264 20 0 BEADMP C[NH+](C)C[C@@H]1CCN(c2cc[nH+]cc2Cl)C1 ZINC000293058853 398111897 /nfs/dbraw/zinc/11/18/97/398111897.db2.gz MBVQXTUGWDZWNK-JTQLQIEISA-N 2 1 239.750 2.123 20 0 BEADMP CC[C@H](C)C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000336650926 171274863 /nfs/dbraw/zinc/27/48/63/171274863.db2.gz UJUOMSXISXUJSO-AVGNSLFASA-N 2 1 212.381 2.305 20 0 BEADMP CC[C@H](C)C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000336650926 171274864 /nfs/dbraw/zinc/27/48/64/171274864.db2.gz UJUOMSXISXUJSO-AVGNSLFASA-N 2 1 212.381 2.305 20 0 BEADMP CC[C@H](C)C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000336650926 171274865 /nfs/dbraw/zinc/27/48/65/171274865.db2.gz UJUOMSXISXUJSO-AVGNSLFASA-N 2 1 212.381 2.305 20 0 BEADMP CC[C@H](C)C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000336650926 171274866 /nfs/dbraw/zinc/27/48/66/171274866.db2.gz UJUOMSXISXUJSO-AVGNSLFASA-N 2 1 212.381 2.305 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372992405 171281261 /nfs/dbraw/zinc/28/12/61/171281261.db2.gz WYOSFVZSHGKXMG-STQMWFEESA-N 2 1 212.381 2.449 20 0 BEADMP CC[C@H]1C[N@@H+](CC2(C)CCC2)CC[C@H]1[NH3+] ZINC000389693478 398125221 /nfs/dbraw/zinc/12/52/21/398125221.db2.gz IFOAPNIPAXYCBQ-NWDGAFQWSA-N 2 1 210.365 2.236 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCS2)CC1(C)C ZINC000623445465 398130902 /nfs/dbraw/zinc/13/09/02/398130902.db2.gz RVFLHRSGGUGWMJ-VXGBXAGGSA-N 2 1 242.432 2.344 20 0 BEADMP CC1(C)CCC[N@@H+]1C[C@H]([NH3+])Cc1ccccc1 ZINC000063073474 1172796661 /nfs/dbraw/zinc/79/66/61/1172796661.db2.gz GYFCJNKOBAOJGR-CQSZACIVSA-N 2 1 232.371 2.431 20 0 BEADMP CC1(C)CCC[N@H+]1C[C@H]([NH3+])Cc1ccccc1 ZINC000063073474 1172796665 /nfs/dbraw/zinc/79/66/65/1172796665.db2.gz GYFCJNKOBAOJGR-CQSZACIVSA-N 2 1 232.371 2.431 20 0 BEADMP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000108368569 167095276 /nfs/dbraw/zinc/09/52/76/167095276.db2.gz ACXKIJNYVCACOJ-AWEZNQCLSA-N 2 1 240.391 2.018 20 0 BEADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662275968 487529104 /nfs/dbraw/zinc/52/91/04/487529104.db2.gz GGDDWJIBHALNNH-XGUBFFRZSA-N 2 1 234.387 2.108 20 0 BEADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000662275966 487529411 /nfs/dbraw/zinc/52/94/11/487529411.db2.gz GGDDWJIBHALNNH-LXTVHRRPSA-N 2 1 234.387 2.108 20 0 BEADMP CCc1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)s1 ZINC000225369030 487562391 /nfs/dbraw/zinc/56/23/91/487562391.db2.gz VSPIXIWULKGQRL-GFCCVEGCSA-N 2 1 226.389 2.383 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000685626130 487567476 /nfs/dbraw/zinc/56/74/76/487567476.db2.gz JOMYUBOFJAWCMA-MGPQQGTHSA-N 2 1 242.407 2.264 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000685626130 487567479 /nfs/dbraw/zinc/56/74/79/487567479.db2.gz JOMYUBOFJAWCMA-MGPQQGTHSA-N 2 1 242.407 2.264 20 0 BEADMP CC(C)OCCCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000341277149 167207503 /nfs/dbraw/zinc/20/75/03/167207503.db2.gz KFIIORXNPSJKSN-KBPBESRZSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)(C[NH2+]C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000232523689 487602426 /nfs/dbraw/zinc/60/24/26/487602426.db2.gz ANGYXPNVAQRYFB-CQSZACIVSA-N 2 1 232.371 2.306 20 0 BEADMP CC(C)SCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000336667912 167320382 /nfs/dbraw/zinc/32/03/82/167320382.db2.gz PRHKWWLWECCHJF-CYBMUJFWSA-N 2 1 244.448 2.402 20 0 BEADMP CC(C)SCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000336667912 167320384 /nfs/dbraw/zinc/32/03/84/167320384.db2.gz PRHKWWLWECCHJF-CYBMUJFWSA-N 2 1 244.448 2.402 20 0 BEADMP CC(C)SCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336667912 167320386 /nfs/dbraw/zinc/32/03/86/167320386.db2.gz PRHKWWLWECCHJF-CYBMUJFWSA-N 2 1 244.448 2.402 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000662242723 409531701 /nfs/dbraw/zinc/53/17/01/409531701.db2.gz HKFVBMQLXZUCOW-GHMZBOCLSA-N 2 1 234.334 2.481 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000662242723 409531705 /nfs/dbraw/zinc/53/17/05/409531705.db2.gz HKFVBMQLXZUCOW-GHMZBOCLSA-N 2 1 234.334 2.481 20 0 BEADMP [NH3+][C@H]1CC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662245871 409541646 /nfs/dbraw/zinc/54/16/46/409541646.db2.gz VARFUDWGKIFWPP-KGLIPLIRSA-N 2 1 230.355 2.140 20 0 BEADMP [NH3+][C@H]1CC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662245871 409541653 /nfs/dbraw/zinc/54/16/53/409541653.db2.gz VARFUDWGKIFWPP-KGLIPLIRSA-N 2 1 230.355 2.140 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)[C@H]1CC[NH3+] ZINC000662285839 409618949 /nfs/dbraw/zinc/61/89/49/409618949.db2.gz NPKQNJLDNOPVGV-QMIVOQANSA-N 2 1 236.403 2.482 20 0 BEADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662270975 409571761 /nfs/dbraw/zinc/57/17/61/409571761.db2.gz CYBCLAYQEHRRMO-FQUUOJAGSA-N 2 1 222.376 2.093 20 0 BEADMP C1=CCC(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000662277647 409593847 /nfs/dbraw/zinc/59/38/47/409593847.db2.gz RGKZAFRQGYXUSH-CQSZACIVSA-N 2 1 220.360 2.028 20 0 BEADMP [NH3+]CCC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000662285106 409614309 /nfs/dbraw/zinc/61/43/09/409614309.db2.gz WQVYCUYMPLETEB-AWEZNQCLSA-N 2 1 218.344 2.215 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCC1CCC1 ZINC000662284750 409615296 /nfs/dbraw/zinc/61/52/96/409615296.db2.gz PGFADEHBDLHCQR-DGCLKSJQSA-N 2 1 210.365 2.378 20 0 BEADMP C[N@@H+](CC1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000082666922 409848464 /nfs/dbraw/zinc/84/84/64/409848464.db2.gz VOOIBAXPYDGMOR-CYBMUJFWSA-N 2 1 210.365 2.251 20 0 BEADMP CC[C@@H]1C[N@@H+](CCCCCF)CC[C@H]1[NH3+] ZINC000308916725 409936326 /nfs/dbraw/zinc/93/63/26/409936326.db2.gz INEBBGKPIJBPOK-VXGBXAGGSA-N 2 1 216.344 2.185 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1 ZINC000663509437 410281212 /nfs/dbraw/zinc/28/12/12/410281212.db2.gz KMQSPQYLVPZLQX-QWHCGFSZSA-N 2 1 220.360 2.205 20 0 BEADMP C[N@@H+](Cc1cccc2c1CCC2)C1CC[NH2+]CC1 ZINC000650702810 410332310 /nfs/dbraw/zinc/33/23/10/410332310.db2.gz WGKGKDZBCIDZCS-UHFFFAOYSA-N 2 1 244.382 2.359 20 0 BEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc2c1CCC2 ZINC000650703187 410334662 /nfs/dbraw/zinc/33/46/62/410334662.db2.gz ORTMJTLUAYOFAR-STQMWFEESA-N 2 1 244.382 2.344 20 0 BEADMP C[N@H+](Cc1cccc2c1CCC2)C1(C[NH3+])CCC1 ZINC000650703916 410336256 /nfs/dbraw/zinc/33/62/56/410336256.db2.gz XTWDSXLEXGNWPL-UHFFFAOYSA-N 2 1 244.382 2.489 20 0 BEADMP C[N@@H+](Cc1cccc2c1CCC2)C1(C[NH3+])CCC1 ZINC000650703916 410336265 /nfs/dbraw/zinc/33/62/65/410336265.db2.gz XTWDSXLEXGNWPL-UHFFFAOYSA-N 2 1 244.382 2.489 20 0 BEADMP C[C@@]1(c2cccc(F)c2)CC[N@@H+](CCC[NH3+])C1 ZINC000650708787 410338965 /nfs/dbraw/zinc/33/89/65/410338965.db2.gz MIBCLTJSTVPQJG-CQSZACIVSA-N 2 1 236.334 2.138 20 0 BEADMP CC(C)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650724048 410360042 /nfs/dbraw/zinc/36/00/42/410360042.db2.gz XNCZEOTWMJVPCQ-MCIONIFRSA-N 2 1 240.391 2.003 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@]3(CC3(F)F)C2)CC[NH2+]1 ZINC000650725378 410360155 /nfs/dbraw/zinc/36/01/55/410360155.db2.gz ZJNLOTMJFQCMPU-GRYCIOLGSA-N 2 1 244.329 2.106 20 0 BEADMP C[C@H]1C[N@@H+](CCC[NH3+])CCc2ccc(F)cc21 ZINC000650725136 410360834 /nfs/dbraw/zinc/36/08/34/410360834.db2.gz UFJVQLMOOKFDRX-NSHDSACASA-N 2 1 236.334 2.136 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000650741625 410375232 /nfs/dbraw/zinc/37/52/32/410375232.db2.gz HXYOSUBILFYIRO-YVECIDJPSA-N 2 1 224.392 2.399 20 0 BEADMP COc1ccsc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000653279946 410632008 /nfs/dbraw/zinc/63/20/08/410632008.db2.gz NAOINBHUVOAVRQ-ZJUUUORDSA-N 2 1 240.372 2.068 20 0 BEADMP COc1ccsc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000653279946 410632013 /nfs/dbraw/zinc/63/20/13/410632013.db2.gz NAOINBHUVOAVRQ-ZJUUUORDSA-N 2 1 240.372 2.068 20 0 BEADMP C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1c[nH+]ccc1N ZINC000665266547 410738910 /nfs/dbraw/zinc/73/89/10/410738910.db2.gz DZTLERHHLGCTKK-GZMMTYOYSA-N 2 1 241.285 2.190 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2ccncc2)C1 ZINC000040592512 410880733 /nfs/dbraw/zinc/88/07/33/410880733.db2.gz PINSYXNOGMEWOC-QWHCGFSZSA-N 2 1 233.359 2.074 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2ccncc2)C1 ZINC000040592512 410880739 /nfs/dbraw/zinc/88/07/39/410880739.db2.gz PINSYXNOGMEWOC-QWHCGFSZSA-N 2 1 233.359 2.074 20 0 BEADMP CC(C)C[NH2+]CC[NH+](C(C)C)C(C)C ZINC000019900974 167004988 /nfs/dbraw/zinc/00/49/88/167004988.db2.gz QHGCVGJEGDFGFP-UHFFFAOYSA-N 2 1 200.370 2.351 20 0 BEADMP CC(C)OCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000036908372 167223007 /nfs/dbraw/zinc/22/30/07/167223007.db2.gz IZZXJKQGTQMQAL-MGPQQGTHSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)Oc1cccc(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000050245506 167306551 /nfs/dbraw/zinc/30/65/51/167306551.db2.gz IQNVEIYWDYYUNX-CQSZACIVSA-N 2 1 248.370 2.254 20 0 BEADMP CC(C)[C@@H](C)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000053377039 167380176 /nfs/dbraw/zinc/38/01/76/167380176.db2.gz HFISOKPUWWRNOW-GFCCVEGCSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)[C@@H](C)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000053377039 167380179 /nfs/dbraw/zinc/38/01/79/167380179.db2.gz HFISOKPUWWRNOW-GFCCVEGCSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)[C@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000108324134 411144330 /nfs/dbraw/zinc/14/43/30/411144330.db2.gz NYNXRHISTOGBHF-CHWSQXEVSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCCOCC1 ZINC000651865661 411148050 /nfs/dbraw/zinc/14/80/50/411148050.db2.gz CPJMPUGYXHSJBW-AWEZNQCLSA-N 2 1 242.407 2.123 20 0 BEADMP CC(C)(CC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1)C1CC1 ZINC000655940719 411160553 /nfs/dbraw/zinc/16/05/53/411160553.db2.gz GBKDZEPKCPAAMN-OCCSQVGLSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)(CC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1)C1CC1 ZINC000655940719 411160554 /nfs/dbraw/zinc/16/05/54/411160554.db2.gz GBKDZEPKCPAAMN-OCCSQVGLSA-N 2 1 236.403 2.497 20 0 BEADMP c1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cs1 ZINC000043501211 411119388 /nfs/dbraw/zinc/11/93/88/411119388.db2.gz ARTJALPWIBBXNJ-UHFFFAOYSA-N 2 1 236.384 2.465 20 0 BEADMP c1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cs1 ZINC000043501211 411119391 /nfs/dbraw/zinc/11/93/91/411119391.db2.gz ARTJALPWIBBXNJ-UHFFFAOYSA-N 2 1 236.384 2.465 20 0 BEADMP CC[NH+]1CCC([NH2+]C2(C3CCC3)CC2)CC1 ZINC000652271346 411184588 /nfs/dbraw/zinc/18/45/88/411184588.db2.gz JMBIPWRIRUTCCZ-UHFFFAOYSA-N 2 1 222.376 2.393 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000309996335 411194046 /nfs/dbraw/zinc/19/40/46/411194046.db2.gz CFFQNSQPOZXMIB-STQMWFEESA-N 2 1 210.365 2.106 20 0 BEADMP COC[C@H](CC(C)(C)C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000656202123 411205797 /nfs/dbraw/zinc/20/57/97/411205797.db2.gz ZAWLJRYSQIOZLI-FRRDWIJNSA-N 2 1 242.407 2.168 20 0 BEADMP COC[C@@H](CC(C)(C)C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000656202128 411206557 /nfs/dbraw/zinc/20/65/57/411206557.db2.gz ZAWLJRYSQIOZLI-YNEHKIRRSA-N 2 1 242.407 2.168 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1CCC(C)C ZINC000652343453 411208129 /nfs/dbraw/zinc/20/81/29/411208129.db2.gz CAILQHPOIBSEGB-CYBMUJFWSA-N 2 1 212.381 2.497 20 0 BEADMP CC1([NH3+])CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000049818921 411245929 /nfs/dbraw/zinc/24/59/29/411245929.db2.gz DLLPZHCGSHLFLG-UHFFFAOYSA-N 2 1 222.307 2.139 20 0 BEADMP CCCCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655684607 411226173 /nfs/dbraw/zinc/22/61/73/411226173.db2.gz RUVHTYLACDXBFU-AWEZNQCLSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccn1 ZINC000658064214 411229658 /nfs/dbraw/zinc/22/96/58/411229658.db2.gz MLMRGAKYBRSXMV-MCIONIFRSA-N 2 1 247.386 2.257 20 0 BEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccn1 ZINC000658064216 411229749 /nfs/dbraw/zinc/22/97/49/411229749.db2.gz MLMRGAKYBRSXMV-RDBSUJKOSA-N 2 1 247.386 2.257 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)[C@@H]1C ZINC000423193332 411238298 /nfs/dbraw/zinc/23/82/98/411238298.db2.gz XDRYRUBJHSLGIU-NFAWXSAZSA-N 2 1 247.386 2.195 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H](C)SC2)C1 ZINC000655693955 411240029 /nfs/dbraw/zinc/24/00/29/411240029.db2.gz BIQKVFOAOLXVQU-XQQFMLRXSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CS1 ZINC000655712163 411266642 /nfs/dbraw/zinc/26/66/42/411266642.db2.gz RHUFVXBGZRFKBJ-FRRDWIJNSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CS1 ZINC000655715862 411269256 /nfs/dbraw/zinc/26/92/56/411269256.db2.gz PHJKFAAHRRHKJY-LOWDOPEQSA-N 2 1 242.432 2.343 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CS1 ZINC000655715862 411269261 /nfs/dbraw/zinc/26/92/61/411269261.db2.gz PHJKFAAHRRHKJY-LOWDOPEQSA-N 2 1 242.432 2.343 20 0 BEADMP c1ccc([C@@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000051890178 411284483 /nfs/dbraw/zinc/28/44/83/411284483.db2.gz GVPORTGQBXZZQJ-UKRRQHHQSA-N 2 1 230.355 2.085 20 0 BEADMP CCC1CCC([N@@H+](C)C[C@@H]2CC[NH2+]C2)CC1 ZINC000051889681 411284767 /nfs/dbraw/zinc/28/47/67/411284767.db2.gz OKSCAFOTVJMFSJ-ROKHWSDSSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccoc2)[C@@H](C)C1 ZINC000658202193 411290834 /nfs/dbraw/zinc/29/08/34/411290834.db2.gz VGODWZBLQMKEJB-GXTWGEPZSA-N 2 1 236.359 2.142 20 0 BEADMP Cc1ccccc1CC[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC000401763976 411324001 /nfs/dbraw/zinc/32/40/01/411324001.db2.gz FARFCSZMZQRLEE-IUODEOHRSA-N 2 1 232.371 2.125 20 0 BEADMP C1=C(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000658292107 411324733 /nfs/dbraw/zinc/32/47/33/411324733.db2.gz ZWULQJIBMVNRGN-UHFFFAOYSA-N 2 1 220.360 2.313 20 0 BEADMP Cc1ccncc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000658127169 411254104 /nfs/dbraw/zinc/25/41/04/411254104.db2.gz SEFHSWLNTFSASC-UKRRQHHQSA-N 2 1 247.386 2.005 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(N)c2)[C@@H](C)C1 ZINC000656785305 411359857 /nfs/dbraw/zinc/35/98/57/411359857.db2.gz NCSWBHUFVCBKCT-SWLSCSKDSA-N 2 1 247.386 2.089 20 0 BEADMP C(C1CC1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784730 411361650 /nfs/dbraw/zinc/36/16/50/411361650.db2.gz GNDWHVUYALPZFZ-AWEZNQCLSA-N 2 1 222.376 2.108 20 0 BEADMP C[C@H]1CCC[C@H](C[N@@H+](C)CC(C)(C)N)C1 ZINC000656784639 411361980 /nfs/dbraw/zinc/36/19/80/411361980.db2.gz GHOTVCTVGXDPQS-RYUDHWBXSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@H]1CCC[C@H](CN(C)CC(C)(C)[NH3+])C1 ZINC000656784639 411361983 /nfs/dbraw/zinc/36/19/83/411361983.db2.gz GHOTVCTVGXDPQS-RYUDHWBXSA-N 2 1 212.381 2.482 20 0 BEADMP Fc1ccc([C@H]2CCC[C@H]2[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000656788221 411367063 /nfs/dbraw/zinc/36/70/63/411367063.db2.gz WENUPQKYSAAKNW-RRFJBIMHSA-N 2 1 248.345 2.413 20 0 BEADMP COCc1cccc(C[NH2+]CC2([NH3+])CCCC2)c1 ZINC000656788707 411368201 /nfs/dbraw/zinc/36/82/01/411368201.db2.gz XSJOJLKITXCFRN-UHFFFAOYSA-N 2 1 248.370 2.194 20 0 BEADMP Cc1cccc(C[NH2+]CC2([NH3+])CCCC2)c1 ZINC000656788768 411369584 /nfs/dbraw/zinc/36/95/84/411369584.db2.gz YTQWOKIKLLHVSE-UHFFFAOYSA-N 2 1 218.344 2.356 20 0 BEADMP COc1cc(C[NH2+]CC2([NH3+])CCCC2)ccc1C ZINC000656789755 411370964 /nfs/dbraw/zinc/37/09/64/411370964.db2.gz XFKQPHIBACRWIB-UHFFFAOYSA-N 2 1 248.370 2.365 20 0 BEADMP Cc1cc(NCC[N@H+]2CC=C(C)CC2)nc(C)[nH+]1 ZINC000302160709 168112422 /nfs/dbraw/zinc/11/24/22/168112422.db2.gz PKVYRVDKTKKDQK-UHFFFAOYSA-N 2 1 246.358 2.157 20 0 BEADMP Cc1cc(NCC[N@@H+]2CC=C(C)CC2)nc(C)[nH+]1 ZINC000302160709 168112424 /nfs/dbraw/zinc/11/24/24/168112424.db2.gz PKVYRVDKTKKDQK-UHFFFAOYSA-N 2 1 246.358 2.157 20 0 BEADMP CC1CCC(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000221097714 168153885 /nfs/dbraw/zinc/15/38/85/168153885.db2.gz MKTSOJLVKAKZHW-GNRIBBGQSA-N 2 1 224.392 2.482 20 0 BEADMP CC1CCC([N@@H+](C)C[C@H]2CCC[NH2+]C2)CC1 ZINC000042488230 168159982 /nfs/dbraw/zinc/15/99/82/168159982.db2.gz ZWLVDNURTGPVTO-MOKVOYLWSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404321813 411391063 /nfs/dbraw/zinc/39/10/63/411391063.db2.gz RFYCWGKIGNNWMX-STQMWFEESA-N 2 1 212.381 2.482 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404324969 411391075 /nfs/dbraw/zinc/39/10/75/411391075.db2.gz UFVNWHBLXICAMD-AVGNSLFASA-N 2 1 212.381 2.482 20 0 BEADMP CCc1cc(OC)ccc1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414887847 411459642 /nfs/dbraw/zinc/45/96/42/411459642.db2.gz JCYFQXJCJKQBPV-OAHLLOKOSA-N 2 1 248.370 2.085 20 0 BEADMP C[C@H]1CCC[N@@H+](Cc2cccnc2)[C@@H]1CC[NH3+] ZINC000404379081 411392917 /nfs/dbraw/zinc/39/29/17/411392917.db2.gz LOKHHMAWBSLIDR-GXTWGEPZSA-N 2 1 233.359 2.031 20 0 BEADMP Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cn1 ZINC000404431447 411396726 /nfs/dbraw/zinc/39/67/26/411396726.db2.gz OTYRJTZEUWDYRR-SWLSCSKDSA-N 2 1 247.386 2.339 20 0 BEADMP C[NH2+]CCC[N@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000405004784 411413634 /nfs/dbraw/zinc/41/36/34/411413634.db2.gz JADAFVCSOCOAHA-ZDUSSCGKSA-N 2 1 232.371 2.258 20 0 BEADMP C[C@H]1C[C@H](C[N@@H+]2CCCC(F)(F)C2)CC[NH2+]1 ZINC000405044247 411414679 /nfs/dbraw/zinc/41/46/79/411414679.db2.gz YGFSZZYHBWYELC-WDEREUQCSA-N 2 1 232.318 2.106 20 0 BEADMP C[C@H]1C[C@H](C[N@H+]2CCCC(F)(F)C2)CC[NH2+]1 ZINC000405044247 411414682 /nfs/dbraw/zinc/41/46/82/411414682.db2.gz YGFSZZYHBWYELC-WDEREUQCSA-N 2 1 232.318 2.106 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(O)cc2)C1 ZINC000657182749 411416613 /nfs/dbraw/zinc/41/66/13/411416613.db2.gz NLEKJDUFOUPLPR-CQSZACIVSA-N 2 1 248.370 2.214 20 0 BEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(O)cc2)C1 ZINC000657182746 411417286 /nfs/dbraw/zinc/41/72/86/411417286.db2.gz NLEKJDUFOUPLPR-AWEZNQCLSA-N 2 1 248.370 2.214 20 0 BEADMP CC(C)[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000653568439 411423832 /nfs/dbraw/zinc/42/38/32/411423832.db2.gz WNNKOPDJYZTPPR-CYBMUJFWSA-N 2 1 235.375 2.331 20 0 BEADMP CC(C)[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000653568439 411423836 /nfs/dbraw/zinc/42/38/36/411423836.db2.gz WNNKOPDJYZTPPR-CYBMUJFWSA-N 2 1 235.375 2.331 20 0 BEADMP CC[C@H]1C[N@@H+](Cc2ccccc2OC)CC[C@@H]1[NH3+] ZINC000122273833 411426710 /nfs/dbraw/zinc/42/67/10/411426710.db2.gz YQFJSYOITMWXLP-JSGCOSHPSA-N 2 1 248.370 2.254 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122325575 411426807 /nfs/dbraw/zinc/42/68/07/411426807.db2.gz FJKAHHHSIBICOW-OLZOCXBDSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CS1 ZINC000655738196 411444499 /nfs/dbraw/zinc/44/44/99/411444499.db2.gz JJDJDSLKKHHUNQ-WCQYABFASA-N 2 1 240.416 2.122 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CS1 ZINC000655738197 411445011 /nfs/dbraw/zinc/44/50/11/411445011.db2.gz JJDJDSLKKHHUNQ-YPMHNXCESA-N 2 1 240.416 2.122 20 0 BEADMP C[NH2+]CC[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414831445 411449712 /nfs/dbraw/zinc/44/97/12/411449712.db2.gz PKIIEYKZNITVCL-KGLIPLIRSA-N 2 1 236.334 2.271 20 0 BEADMP CC[C@@H]1OCC[C@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000657369580 411483640 /nfs/dbraw/zinc/48/36/40/411483640.db2.gz FASFIZPQJIBVCX-MCIONIFRSA-N 2 1 240.391 2.018 20 0 BEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC2CC=CC2)CC1 ZINC000660415811 411488903 /nfs/dbraw/zinc/48/89/03/411488903.db2.gz JAJZPIPNMCZNNW-CQSZACIVSA-N 2 1 222.376 2.369 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC2CCC2)C1 ZINC000659926164 411500596 /nfs/dbraw/zinc/50/05/96/411500596.db2.gz MFANXSIZSWMNBU-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP C1=CCC(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000659949049 411508332 /nfs/dbraw/zinc/50/83/32/411508332.db2.gz UGAOXFNKWQNQFY-OAHLLOKOSA-N 2 1 234.387 2.370 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000217729670 411529215 /nfs/dbraw/zinc/52/92/15/411529215.db2.gz VUMSLKQTONTXIX-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000217729670 411529218 /nfs/dbraw/zinc/52/92/18/411529218.db2.gz VUMSLKQTONTXIX-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP CC[C@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)CO1 ZINC000657486954 411531243 /nfs/dbraw/zinc/53/12/43/411531243.db2.gz CZBANEWYWZJAPV-JSGCOSHPSA-N 2 1 240.391 2.018 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnccc2C)C1 ZINC000271373839 170007406 /nfs/dbraw/zinc/00/74/06/170007406.db2.gz HKLJGFMTGFBFFR-KBPBESRZSA-N 2 1 247.386 2.382 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC000037643740 170007476 /nfs/dbraw/zinc/00/74/76/170007476.db2.gz UTQAFDPODBZMTB-ZDUSSCGKSA-N 2 1 236.334 2.257 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000037484275 170007539 /nfs/dbraw/zinc/00/75/39/170007539.db2.gz MHZUPRZVHCWLDL-KBPBESRZSA-N 2 1 222.376 2.274 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]C2Cc3ccccc3C2)C1 ZINC000037644340 170007980 /nfs/dbraw/zinc/00/79/80/170007980.db2.gz GEFJXUDRFAQSQY-ZDUSSCGKSA-N 2 1 244.382 2.085 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C(F)F)CC2)[C@H](C)C1 ZINC000355146719 170010980 /nfs/dbraw/zinc/01/09/80/170010980.db2.gz GTBURPPNQUIYEM-GHMZBOCLSA-N 2 1 246.345 2.352 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C)CC2)[C@@H](C)C1 ZINC000309054339 170011189 /nfs/dbraw/zinc/01/11/89/170011189.db2.gz SSWVVRAKGVDXIG-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC(C)C)C1 ZINC000037484232 170015999 /nfs/dbraw/zinc/01/59/99/170015999.db2.gz ORTXDMHKCCWORW-QWHCGFSZSA-N 2 1 212.381 2.352 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccncc2)C1 ZINC000037644019 170017375 /nfs/dbraw/zinc/01/73/75/170017375.db2.gz OJIFYRBJJVRVRB-QWHCGFSZSA-N 2 1 233.359 2.074 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cnccc2C)C1 ZINC000271375136 170017469 /nfs/dbraw/zinc/01/74/69/170017469.db2.gz HKLJGFMTGFBFFR-ZIAGYGMSSA-N 2 1 247.386 2.382 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCF)C[C@@H]1C ZINC000361531317 170018007 /nfs/dbraw/zinc/01/80/07/170018007.db2.gz QMBOCIBSSPMMAH-RYUDHWBXSA-N 2 1 216.344 2.151 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCF)C[C@@H]1C ZINC000361531317 170018008 /nfs/dbraw/zinc/01/80/08/170018008.db2.gz QMBOCIBSSPMMAH-RYUDHWBXSA-N 2 1 216.344 2.151 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCF)C[C@@H]1C ZINC000361531317 170018009 /nfs/dbraw/zinc/01/80/09/170018009.db2.gz QMBOCIBSSPMMAH-RYUDHWBXSA-N 2 1 216.344 2.151 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccn(C)c2)[C@H](C)C1 ZINC000093638985 170018324 /nfs/dbraw/zinc/01/83/24/170018324.db2.gz UMMAGAUKJDAYPU-HIFRSBDPSA-N 2 1 249.402 2.187 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccn(C)c2)[C@H](C)C1 ZINC000093638985 170018326 /nfs/dbraw/zinc/01/83/26/170018326.db2.gz UMMAGAUKJDAYPU-HIFRSBDPSA-N 2 1 249.402 2.187 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccn(C)c2)[C@H](C)C1 ZINC000093638985 170018327 /nfs/dbraw/zinc/01/83/27/170018327.db2.gz UMMAGAUKJDAYPU-HIFRSBDPSA-N 2 1 249.402 2.187 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCCCF)[C@H](C)C1 ZINC000309063943 170020198 /nfs/dbraw/zinc/02/01/98/170020198.db2.gz YHLQEGPPODKSSE-NEPJUHHUSA-N 2 1 216.344 2.056 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(O)c2)[C@H](C)C1 ZINC000173363003 170021088 /nfs/dbraw/zinc/02/10/88/170021088.db2.gz ZRMUKUDKAOYBNI-DOMZBBRYSA-N 2 1 248.370 2.212 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(O)c2)[C@H](C)C1 ZINC000173363003 170021089 /nfs/dbraw/zinc/02/10/89/170021089.db2.gz ZRMUKUDKAOYBNI-DOMZBBRYSA-N 2 1 248.370 2.212 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)F)[C@@H](C)C1 ZINC000340463547 170021254 /nfs/dbraw/zinc/02/12/54/170021254.db2.gz QZLHYIHRLQPKFO-SRVKXCTJSA-N 2 1 216.344 2.054 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CSC)[C@@H](C)C1 ZINC000336759664 170021762 /nfs/dbraw/zinc/02/17/62/170021762.db2.gz KYOSYHILFYPIDC-TUAOUCFPSA-N 2 1 230.421 2.058 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2F)[C@H](C)C1 ZINC000340524093 170021852 /nfs/dbraw/zinc/02/18/52/170021852.db2.gz KBFBNRPZMZVMDU-FVCCEPFGSA-N 2 1 228.355 2.197 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2F)[C@H](C)C1 ZINC000340524093 170021853 /nfs/dbraw/zinc/02/18/53/170021853.db2.gz KBFBNRPZMZVMDU-FVCCEPFGSA-N 2 1 228.355 2.197 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC2(C)C)[C@H](C)C1 ZINC000336778035 170022747 /nfs/dbraw/zinc/02/27/47/170022747.db2.gz KFTMDVOLWASZIW-FRRDWIJNSA-N 2 1 224.392 2.495 20 0 BEADMP CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000334445246 170152288 /nfs/dbraw/zinc/15/22/88/170152288.db2.gz IYTYRZNDFIPHQF-ZIAGYGMSSA-N 2 1 218.344 2.431 20 0 BEADMP CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000334445246 170152289 /nfs/dbraw/zinc/15/22/89/170152289.db2.gz IYTYRZNDFIPHQF-ZIAGYGMSSA-N 2 1 218.344 2.431 20 0 BEADMP CCOC(C)(C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336680186 170312477 /nfs/dbraw/zinc/31/24/77/170312477.db2.gz DNAQUXSVJXKGMB-UHFFFAOYSA-N 2 1 240.391 2.018 20 0 BEADMP CCOCCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000336715078 170370551 /nfs/dbraw/zinc/37/05/51/170370551.db2.gz STOVVQZUIFTLIW-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP CCOCCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000336704646 170370559 /nfs/dbraw/zinc/37/05/59/170370559.db2.gz NGDYDAGNDIHZIE-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP CCOCCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000336704646 170370560 /nfs/dbraw/zinc/37/05/60/170370560.db2.gz NGDYDAGNDIHZIE-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP CCOCCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000336704646 170370561 /nfs/dbraw/zinc/37/05/61/170370561.db2.gz NGDYDAGNDIHZIE-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP CCOCCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000336704647 170370761 /nfs/dbraw/zinc/37/07/61/170370761.db2.gz NGDYDAGNDIHZIE-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP CCOCCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000336704647 170370764 /nfs/dbraw/zinc/37/07/64/170370764.db2.gz NGDYDAGNDIHZIE-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP CCOCCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000336704647 170370765 /nfs/dbraw/zinc/37/07/65/170370765.db2.gz NGDYDAGNDIHZIE-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP CCOCCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000336708418 170371297 /nfs/dbraw/zinc/37/12/97/170371297.db2.gz HYBIOIAXSRUMFK-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP CCOCCC[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000336708418 170371298 /nfs/dbraw/zinc/37/12/98/170371298.db2.gz HYBIOIAXSRUMFK-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP CCOCCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000336708418 170371299 /nfs/dbraw/zinc/37/12/99/170371299.db2.gz HYBIOIAXSRUMFK-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP FC1(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663343843 411633083 /nfs/dbraw/zinc/63/30/83/411633083.db2.gz GURHYNZUFFHARZ-CYBMUJFWSA-N 2 1 240.366 2.200 20 0 BEADMP FC1(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663343843 411633088 /nfs/dbraw/zinc/63/30/88/411633088.db2.gz GURHYNZUFFHARZ-CYBMUJFWSA-N 2 1 240.366 2.200 20 0 BEADMP FC1(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663343844 411633150 /nfs/dbraw/zinc/63/31/50/411633150.db2.gz GURHYNZUFFHARZ-ZDUSSCGKSA-N 2 1 240.366 2.200 20 0 BEADMP FC1(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663343844 411633156 /nfs/dbraw/zinc/63/31/56/411633156.db2.gz GURHYNZUFFHARZ-ZDUSSCGKSA-N 2 1 240.366 2.200 20 0 BEADMP CCc1[nH+]ccn1Cc1cccc2c1CC[NH2+]C2 ZINC000663380315 411642497 /nfs/dbraw/zinc/64/24/97/411642497.db2.gz URRFVMKOPGZZHR-UHFFFAOYSA-N 2 1 241.338 2.140 20 0 BEADMP C[C@]1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1(F)F ZINC000657663461 411576372 /nfs/dbraw/zinc/57/63/72/411576372.db2.gz BOOHCBWMERGZBC-SDDRHHMPSA-N 2 1 244.329 2.248 20 0 BEADMP C([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC000657677606 411579993 /nfs/dbraw/zinc/57/99/93/411579993.db2.gz FPIXSAHUAMEABT-ZDUSSCGKSA-N 2 1 222.376 2.393 20 0 BEADMP C([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC000657677606 411579995 /nfs/dbraw/zinc/57/99/95/411579995.db2.gz FPIXSAHUAMEABT-ZDUSSCGKSA-N 2 1 222.376 2.393 20 0 BEADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)C2)C1 ZINC000660616152 411608470 /nfs/dbraw/zinc/60/84/70/411608470.db2.gz HMUGPRNTJQJCBI-QXSJWSMHSA-N 2 1 248.414 2.450 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)C2)C1 ZINC000660616152 411608472 /nfs/dbraw/zinc/60/84/72/411608472.db2.gz HMUGPRNTJQJCBI-QXSJWSMHSA-N 2 1 248.414 2.450 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)C2)C1 ZINC000660616152 411608473 /nfs/dbraw/zinc/60/84/73/411608473.db2.gz HMUGPRNTJQJCBI-QXSJWSMHSA-N 2 1 248.414 2.450 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CC(CF)(CF)C1 ZINC000657831078 411608691 /nfs/dbraw/zinc/60/86/91/411608691.db2.gz RMOHCTGPALSBLL-LLVKDONJSA-N 2 1 248.361 2.394 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657831379 411609160 /nfs/dbraw/zinc/60/91/60/411609160.db2.gz WTCVWWPNJGJVTI-ZDUSSCGKSA-N 2 1 240.391 2.018 20 0 BEADMP C[NH+](C)[C@@H](C[NH2+][C@H]1CCCSCC1)C1CC1 ZINC000657843364 411610717 /nfs/dbraw/zinc/61/07/17/411610717.db2.gz DYZUORQYRVVDCT-STQMWFEESA-N 2 1 242.432 2.202 20 0 BEADMP C[N@H+]1CCC[C@@]2(CC[NH+](CC3CC=CC3)C2)C1 ZINC000660639333 411610801 /nfs/dbraw/zinc/61/08/01/411610801.db2.gz FGDYSOVFGGKTCC-OAHLLOKOSA-N 2 1 234.387 2.370 20 0 BEADMP C[NH+]1CCC[C@@]2(CC[N@H+](CC3CC=CC3)C2)C1 ZINC000660639333 411610802 /nfs/dbraw/zinc/61/08/02/411610802.db2.gz FGDYSOVFGGKTCC-OAHLLOKOSA-N 2 1 234.387 2.370 20 0 BEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CC3CC=CC3)C2)C1 ZINC000660639333 411610803 /nfs/dbraw/zinc/61/08/03/411610803.db2.gz FGDYSOVFGGKTCC-OAHLLOKOSA-N 2 1 234.387 2.370 20 0 BEADMP CC(C)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656824 411614504 /nfs/dbraw/zinc/61/45/04/411614504.db2.gz VCUDTBZRHGLEDV-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP CC(C)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660656824 411614505 /nfs/dbraw/zinc/61/45/05/411614505.db2.gz VCUDTBZRHGLEDV-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP CC(C)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660656824 411614506 /nfs/dbraw/zinc/61/45/06/411614506.db2.gz VCUDTBZRHGLEDV-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP CC[C@H](c1ccccc1)[N@@H+](C)CCC[NH3+] ZINC000133205711 411655432 /nfs/dbraw/zinc/65/54/32/411655432.db2.gz YMVPUMNMZBQZQB-CYBMUJFWSA-N 2 1 206.333 2.418 20 0 BEADMP C[C@]1(C[N@H+]2CCC[C@@H](C3CCC3)C2)CC[NH2+]C1 ZINC000663499122 411682210 /nfs/dbraw/zinc/68/22/10/411682210.db2.gz ATONQDZBJMPTJG-CABCVRRESA-N 2 1 236.403 2.498 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000663512961 411694633 /nfs/dbraw/zinc/69/46/33/411694633.db2.gz HYNAYGDGPGEBKG-YNEHKIRRSA-N 2 1 220.360 2.376 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000663512959 411695382 /nfs/dbraw/zinc/69/53/82/411695382.db2.gz HYNAYGDGPGEBKG-XQQFMLRXSA-N 2 1 220.360 2.376 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1C ZINC000663512685 411695469 /nfs/dbraw/zinc/69/54/69/411695469.db2.gz HIUYGSCODOEHBR-STQMWFEESA-N 2 1 220.360 2.124 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000663514420 411695626 /nfs/dbraw/zinc/69/56/26/411695626.db2.gz RDVJRGKGZYDHCF-DDHJSBNISA-N 2 1 232.371 2.376 20 0 BEADMP CCC(C)(C)[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000661231551 411737118 /nfs/dbraw/zinc/73/71/18/411737118.db2.gz NXAZCLHHNYMOSO-OLZOCXBDSA-N 2 1 244.423 2.102 20 0 BEADMP CN(CC[N@@H+](C)C1CC1)c1[nH+]ccc2[nH]ccc21 ZINC000663811020 411751927 /nfs/dbraw/zinc/75/19/27/411751927.db2.gz SAXTUHJEZDBMSD-UHFFFAOYSA-N 2 1 244.342 2.093 20 0 BEADMP C[C@@H](CCNc1[nH+]c2ccccc2n1C)[NH+](C)C ZINC000664245144 411897033 /nfs/dbraw/zinc/89/70/33/411897033.db2.gz XRFORIGKTZVREP-NSHDSACASA-N 2 1 246.358 2.325 20 0 BEADMP C(C[NH+]1CCCCC1)C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000661967157 411923787 /nfs/dbraw/zinc/92/37/87/411923787.db2.gz CDCKGPWMMAJREF-KBPBESRZSA-N 2 1 222.376 2.204 20 0 BEADMP CCC[N@H+](C)CC(C)(C)[NH2+]CC1CCC1 ZINC000662175978 412019943 /nfs/dbraw/zinc/01/99/43/412019943.db2.gz VMBTVHUPIBVHCR-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CC1CCC1 ZINC000662175978 412019945 /nfs/dbraw/zinc/01/99/45/412019945.db2.gz VMBTVHUPIBVHCR-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCC[NH2+]CC1 ZINC000662240792 412037203 /nfs/dbraw/zinc/03/72/03/412037203.db2.gz MSAGLSJTQKATJY-OAHLLOKOSA-N 2 1 244.382 2.402 20 0 BEADMP CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@@H]1C[NH2+]C ZINC000662243922 412039478 /nfs/dbraw/zinc/03/94/78/412039478.db2.gz GQZGVIFTNRPOIE-WDEREUQCSA-N 2 1 234.334 2.352 20 0 BEADMP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@@H]1C[NH2+]C ZINC000662243922 412039480 /nfs/dbraw/zinc/03/94/80/412039480.db2.gz GQZGVIFTNRPOIE-WDEREUQCSA-N 2 1 234.334 2.352 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC000662247420 412045291 /nfs/dbraw/zinc/04/52/91/412045291.db2.gz XVIKZPGJBBTJOT-ZYHUDNBSSA-N 2 1 249.358 2.111 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC000662247420 412045294 /nfs/dbraw/zinc/04/52/94/412045294.db2.gz XVIKZPGJBBTJOT-ZYHUDNBSSA-N 2 1 249.358 2.111 20 0 BEADMP CO[C@H](C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)C1CCC1 ZINC000662248035 412046511 /nfs/dbraw/zinc/04/65/11/412046511.db2.gz RFBVAEXMZFUHHX-ZIAGYGMSSA-N 2 1 242.407 2.107 20 0 BEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCC1CCC1 ZINC000662265503 412055897 /nfs/dbraw/zinc/05/58/97/412055897.db2.gz PRZLWABROQEWKW-YPMHNXCESA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC000310036769 171043719 /nfs/dbraw/zinc/04/37/19/171043719.db2.gz UNXCJDIKDNUZMF-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000336674094 171045779 /nfs/dbraw/zinc/04/57/79/171045779.db2.gz BELJYUAMSPQHLR-RQJABVFESA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000336674094 171045781 /nfs/dbraw/zinc/04/57/81/171045781.db2.gz BELJYUAMSPQHLR-RQJABVFESA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@@H]1CC[C@H](C)[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000136234143 171053714 /nfs/dbraw/zinc/05/37/14/171053714.db2.gz PPSWVQXXPHDNNZ-RWMBFGLXSA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336748834 171058057 /nfs/dbraw/zinc/05/80/57/171058057.db2.gz CZUGPKNMFGWKBC-CHWSQXEVSA-N 2 1 208.349 2.027 20 0 BEADMP C(CC1CCC1)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662273274 412065684 /nfs/dbraw/zinc/06/56/84/412065684.db2.gz KYKLOSWVFDPILJ-GASCZTMLSA-N 2 1 236.403 2.498 20 0 BEADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cc(C2CC2)no1 ZINC000662273213 412066205 /nfs/dbraw/zinc/06/62/05/412066205.db2.gz MZQIDALOGVMOAB-GFCCVEGCSA-N 2 1 249.358 2.255 20 0 BEADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc(C2CC2)no1 ZINC000662273213 412066209 /nfs/dbraw/zinc/06/62/09/412066209.db2.gz MZQIDALOGVMOAB-GFCCVEGCSA-N 2 1 249.358 2.255 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000662274741 412067518 /nfs/dbraw/zinc/06/75/18/412067518.db2.gz WPSLGAKCNXRNBY-QWHCGFSZSA-N 2 1 208.349 2.027 20 0 BEADMP CC(C)=CCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000662275831 412068197 /nfs/dbraw/zinc/06/81/97/412068197.db2.gz FBJBXYJQKHTBOL-JHJVBQTASA-N 2 1 210.365 2.319 20 0 BEADMP C1=CCC(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000662275282 412068266 /nfs/dbraw/zinc/06/82/66/412068266.db2.gz YVTBUCACEUDQEM-GJZGRUSLSA-N 2 1 234.387 2.274 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+](C)CCC[NH2+]C ZINC000662282453 412073173 /nfs/dbraw/zinc/07/31/73/412073173.db2.gz VHVQEGGIQIAKLC-SNVBAGLBSA-N 2 1 222.323 2.209 20 0 BEADMP C[N@H+](CC(C)(C)[NH3+])[C@@H]1CCc2ccc(F)cc21 ZINC000662292808 412082522 /nfs/dbraw/zinc/08/25/22/412082522.db2.gz NAIIEMRUIMDTLG-CYBMUJFWSA-N 2 1 236.334 2.482 20 0 BEADMP C[N@@H+](CC(C)(C)[NH3+])[C@@H]1CCc2ccc(F)cc21 ZINC000662292808 412082524 /nfs/dbraw/zinc/08/25/24/412082524.db2.gz NAIIEMRUIMDTLG-CYBMUJFWSA-N 2 1 236.334 2.482 20 0 BEADMP CC[C@H](C)C[NH2+]CC[N@H+](C)C1CCCC1 ZINC000070945313 171285137 /nfs/dbraw/zinc/28/51/37/171285137.db2.gz YYOHXZJJSROTDL-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@H](C)C[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000070945313 171285140 /nfs/dbraw/zinc/28/51/40/171285140.db2.gz YYOHXZJJSROTDL-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP C[N@@H+](CCCc1ccsc1)CC(C)(C)[NH3+] ZINC000662293714 412082770 /nfs/dbraw/zinc/08/27/70/412082770.db2.gz IGTPUJPFVCTGMK-UHFFFAOYSA-N 2 1 226.389 2.350 20 0 BEADMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])Nc1ccccc1 ZINC000103338648 171304782 /nfs/dbraw/zinc/30/47/82/171304782.db2.gz SVNDJFPHKAEBEQ-LBPRGKRZSA-N 2 1 248.374 2.353 20 0 BEADMP CCCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295418 412084791 /nfs/dbraw/zinc/08/47/91/412084791.db2.gz REBHKENGRRUFOC-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP CC[C@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000020200924 171341206 /nfs/dbraw/zinc/34/12/06/171341206.db2.gz NBIHCCSZXUWTQJ-QWHCGFSZSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000020200918 171341548 /nfs/dbraw/zinc/34/15/48/171341548.db2.gz NBIHCCSZXUWTQJ-STQMWFEESA-N 2 1 212.381 2.495 20 0 BEADMP C[NH2+]CCC[NH+]1CCC(c2ccco2)CC1 ZINC000662297103 412081520 /nfs/dbraw/zinc/08/15/20/412081520.db2.gz AKQHTWCQLFCYOY-UHFFFAOYSA-N 2 1 222.332 2.069 20 0 BEADMP CC[C@@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294073 412082031 /nfs/dbraw/zinc/08/20/31/412082031.db2.gz OSDQDVFDNJQEMX-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)C[C@@H](C)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662306337 412091504 /nfs/dbraw/zinc/09/15/04/412091504.db2.gz QOOCJWUIEMKLCJ-PNESKVBLSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@@H]1CCC[N@@H+](Cc2ccno2)[C@@H]1CCC[NH3+] ZINC000662312017 412094789 /nfs/dbraw/zinc/09/47/89/412094789.db2.gz FSCXKKDSXKWBFA-DGCLKSJQSA-N 2 1 237.347 2.014 20 0 BEADMP CC(C)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312933 412094890 /nfs/dbraw/zinc/09/48/90/412094890.db2.gz BEUPXIQNABSKBG-CHWSQXEVSA-N 2 1 212.381 2.482 20 0 BEADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H]1CC[NH2+]C1 ZINC000662319058 412098666 /nfs/dbraw/zinc/09/86/66/412098666.db2.gz JVDPYRKMNCCBGD-CPIKKWJDSA-N 2 1 222.376 2.249 20 0 BEADMP C[N@@H+](C[C@H]1CC[NH2+]C1)C[C@H]1CCc2ccccc21 ZINC000662322541 412101153 /nfs/dbraw/zinc/10/11/53/412101153.db2.gz NAFDBNYXEDMZFS-DZGCQCFKSA-N 2 1 244.382 2.258 20 0 BEADMP C[N@@H+](CCC1CC[NH2+]CC1)C[C@H]1CC1(C)C ZINC000662330244 412105113 /nfs/dbraw/zinc/10/51/13/412105113.db2.gz CUVDQWCSIGWQLR-CYBMUJFWSA-N 2 1 224.392 2.354 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H]1CC1(C)C ZINC000662343185 412111887 /nfs/dbraw/zinc/11/18/87/412111887.db2.gz IYHOMWKVIPRXHN-GFCCVEGCSA-N 2 1 221.348 2.169 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H]1CC1(C)C ZINC000662343185 412111890 /nfs/dbraw/zinc/11/18/90/412111890.db2.gz IYHOMWKVIPRXHN-GFCCVEGCSA-N 2 1 221.348 2.169 20 0 BEADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1CC1(C)C ZINC000662345687 412116902 /nfs/dbraw/zinc/11/69/02/412116902.db2.gz LCEFZRZFNCCBPN-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@H]1CC1(C)C ZINC000662345687 412116906 /nfs/dbraw/zinc/11/69/06/412116906.db2.gz LCEFZRZFNCCBPN-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@H]1CC1(C)C ZINC000662345687 412116909 /nfs/dbraw/zinc/11/69/09/412116909.db2.gz LCEFZRZFNCCBPN-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP Cc1ccncc1CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000665239772 412180673 /nfs/dbraw/zinc/18/06/73/412180673.db2.gz YYFJFYOZMIICTA-HIFRSBDPSA-N 2 1 247.386 2.053 20 0 BEADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cccc(O)c1 ZINC000665247796 412186991 /nfs/dbraw/zinc/18/69/91/412186991.db2.gz JUJHHPLDBQJTQS-NSHDSACASA-N 2 1 234.343 2.314 20 0 BEADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cccc(CO)c1 ZINC000665247918 412192125 /nfs/dbraw/zinc/19/21/25/412192125.db2.gz LTSQFHAHFXMOOS-GFCCVEGCSA-N 2 1 248.370 2.101 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)[C@@H]1CCCC[NH2+]1 ZINC000665264671 412207020 /nfs/dbraw/zinc/20/70/20/412207020.db2.gz FUDDMIOWWIUZMM-SYQHCUMBSA-N 2 1 240.391 2.064 20 0 BEADMP CC[C@H]([NH2+]C[C@H]1CCC[C@H](C)O1)[C@@H]1CCC[NH2+]1 ZINC000665265153 412209310 /nfs/dbraw/zinc/20/93/10/412209310.db2.gz QMOFDRFKQHZLGT-CRWXNKLISA-N 2 1 240.391 2.064 20 0 BEADMP CC[C@H]([NH2+]C[C@@H](C)c1ccccn1)[C@@H]1CCC[NH2+]1 ZINC000665232810 412171559 /nfs/dbraw/zinc/17/15/59/412171559.db2.gz USFCKZPNATYRHG-IPYPFGDCSA-N 2 1 247.386 2.305 20 0 BEADMP C[C@@H]([NH2+]CC1=CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000665274256 412217559 /nfs/dbraw/zinc/21/75/59/412217559.db2.gz MJHIXKUQJQCOOY-YPMHNXCESA-N 2 1 208.349 2.217 20 0 BEADMP c1ccc([C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C2CC2)cc1 ZINC000665279037 412222341 /nfs/dbraw/zinc/22/23/41/412222341.db2.gz VMEIBZUMRPFWFD-DSSZZKGTSA-N 2 1 242.366 2.479 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000665297346 412237089 /nfs/dbraw/zinc/23/70/89/412237089.db2.gz DMBYZDSWPYMBGI-YPMHNXCESA-N 2 1 212.381 2.399 20 0 BEADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[NH2+]C)C1(CC)CC ZINC000665295823 412242331 /nfs/dbraw/zinc/24/23/31/412242331.db2.gz JWURDMTVVOHEFT-FRRDWIJNSA-N 2 1 242.407 2.168 20 0 BEADMP C[C@H]1C[C@H](Nc2cc[nH+]c3ccsc32)CC[NH2+]1 ZINC000663238858 412398394 /nfs/dbraw/zinc/39/83/94/412398394.db2.gz DUWOBZBDACSSOQ-VHSXEESVSA-N 2 1 247.367 2.271 20 0 BEADMP C[NH+](C)C(C)(C)CNc1cc[nH+]cc1Cl ZINC000086833130 172397856 /nfs/dbraw/zinc/39/78/56/172397856.db2.gz NLTHJWNNYYVLRU-UHFFFAOYSA-N 2 1 227.739 2.487 20 0 BEADMP C[NH+]1CCC([NH2+]CCCOc2ccccc2)CC1 ZINC000049825159 172996096 /nfs/dbraw/zinc/99/60/96/172996096.db2.gz IIQGLZSJNFNPJZ-UHFFFAOYSA-N 2 1 248.370 2.139 20 0 BEADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H]1CCOC1(C)C ZINC000328278707 173004149 /nfs/dbraw/zinc/00/41/49/173004149.db2.gz YSBNICBXVQCCNC-OLZOCXBDSA-N 2 1 240.391 2.018 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000355173910 173028883 /nfs/dbraw/zinc/02/88/83/173028883.db2.gz PUTUZLDFYPJWLU-BFHYXJOUSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000355173910 173028886 /nfs/dbraw/zinc/02/88/86/173028886.db2.gz PUTUZLDFYPJWLU-BFHYXJOUSA-N 2 1 222.376 2.345 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCCCC2)C1 ZINC000044535571 173042736 /nfs/dbraw/zinc/04/27/36/173042736.db2.gz JTHOFPLIKVTEIP-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C(F)F)CC1 ZINC000336678618 173050768 /nfs/dbraw/zinc/05/07/68/173050768.db2.gz BQIQSBVWFCLAJC-LBPRGKRZSA-N 2 1 246.345 2.448 20 0 BEADMP C[N@H+]1CCC[C@H]2C[NH+](CCCCF)CC[C@@H]21 ZINC000367158592 173060515 /nfs/dbraw/zinc/06/05/15/173060515.db2.gz TVEVJMHEDBUNRN-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@H+](CCCCF)CC[C@@H]21 ZINC000367158592 173060516 /nfs/dbraw/zinc/06/05/16/173060516.db2.gz TVEVJMHEDBUNRN-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCCF)CC[C@@H]21 ZINC000367158592 173060519 /nfs/dbraw/zinc/06/05/19/173060519.db2.gz TVEVJMHEDBUNRN-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccco2)[C@@H]2CCC[C@@H]21 ZINC000353432131 173152511 /nfs/dbraw/zinc/15/25/11/173152511.db2.gz AQNCMAZFNAOPQE-KKUMJFAQSA-N 2 1 248.370 2.285 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2F)[C@H]2CCC[C@H]21 ZINC000340525609 173154248 /nfs/dbraw/zinc/15/42/48/173154248.db2.gz WVMNOXKPDVJCNZ-MBJXGIAVSA-N 2 1 240.366 2.339 20 0 BEADMP C[N@@H+]1C[C@@H]2C[NH+](CC3CCCCC3)C[C@@H]2C1 ZINC000039348989 173196615 /nfs/dbraw/zinc/19/66/15/173196615.db2.gz QMFPYABVUNXCHB-OKILXGFUSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2C1 ZINC000039348989 173196616 /nfs/dbraw/zinc/19/66/16/173196616.db2.gz QMFPYABVUNXCHB-OKILXGFUSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+](CC3CCCCC3)C[C@@H]2C1 ZINC000039348989 173196618 /nfs/dbraw/zinc/19/66/18/173196618.db2.gz QMFPYABVUNXCHB-OKILXGFUSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH2+]CCC[N@H+](C)Cc1ccc(Cl)cc1 ZINC000042439357 173345614 /nfs/dbraw/zinc/34/56/14/173345614.db2.gz WLVANYUEXSTANE-UHFFFAOYSA-N 2 1 226.751 2.381 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000042439357 173345616 /nfs/dbraw/zinc/34/56/16/173345616.db2.gz WLVANYUEXSTANE-UHFFFAOYSA-N 2 1 226.751 2.381 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000124782953 173346272 /nfs/dbraw/zinc/34/62/72/173346272.db2.gz AMSXUOLMZQDKMO-UHFFFAOYSA-N 2 1 243.354 2.276 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000336714506 173346735 /nfs/dbraw/zinc/34/67/35/173346735.db2.gz VCKSKNYTEHSHHA-LLVKDONJSA-N 2 1 224.373 2.495 20 0 BEADMP C[NH2+]CCC[N@H+]1CCCC[C@H]1CC(C)C ZINC000336709862 173346981 /nfs/dbraw/zinc/34/69/81/173346981.db2.gz RJCYTJNUVDBYIC-ZDUSSCGKSA-N 2 1 212.381 2.497 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC000300886145 173369570 /nfs/dbraw/zinc/36/95/70/173369570.db2.gz PDQIULHKIQIYCF-LBPRGKRZSA-N 2 1 212.381 2.354 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000251563612 173370709 /nfs/dbraw/zinc/37/07/09/173370709.db2.gz SSYYRUZYGDJCRT-OLZOCXBDSA-N 2 1 248.370 2.298 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(F)c(C)c2)C1 ZINC000071142508 173371144 /nfs/dbraw/zinc/37/11/44/173371144.db2.gz UBTHDBWDBBJRFW-ZDUSSCGKSA-N 2 1 236.334 2.175 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C)c2)C1 ZINC000071142508 173371145 /nfs/dbraw/zinc/37/11/45/173371145.db2.gz UBTHDBWDBBJRFW-ZDUSSCGKSA-N 2 1 236.334 2.175 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2sccc2C)C1 ZINC000070798632 173381444 /nfs/dbraw/zinc/38/14/44/173381444.db2.gz PXCIQRYYTAQEFO-LLVKDONJSA-N 2 1 224.373 2.098 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000053012238 173381798 /nfs/dbraw/zinc/38/17/98/173381798.db2.gz LZWHOWKJRAMZKN-QWHCGFSZSA-N 2 1 218.344 2.289 20 0 BEADMP COCCCC[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352520053 174189709 /nfs/dbraw/zinc/18/97/09/174189709.db2.gz UTZUYXPFCYFOPK-UHFFFAOYSA-N 2 1 242.407 2.254 20 0 BEADMP COCC[C@H](C)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000045018018 174405948 /nfs/dbraw/zinc/40/59/48/174405948.db2.gz WUZOQFLHCUQLTI-ZDUSSCGKSA-N 2 1 242.407 2.266 20 0 BEADMP COc1cccc(C[N@H+](C)CCC[NH+](C)C)c1 ZINC000265279120 175255849 /nfs/dbraw/zinc/25/58/49/175255849.db2.gz WPKDISJDQVUUKP-UHFFFAOYSA-N 2 1 236.359 2.079 20 0 BEADMP COc1cccc(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000265279120 175255850 /nfs/dbraw/zinc/25/58/50/175255850.db2.gz WPKDISJDQVUUKP-UHFFFAOYSA-N 2 1 236.359 2.079 20 0 BEADMP COc1cccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000111695792 175257968 /nfs/dbraw/zinc/25/79/68/175257968.db2.gz GUWXPNDUXZQJOC-JSGCOSHPSA-N 2 1 248.370 2.254 20 0 BEADMP COc1cccc(Cl)c1C[NH2+]C[C@@H](C)C[NH3+] ZINC000336686017 175272933 /nfs/dbraw/zinc/27/29/33/175272933.db2.gz UKWOMTAHFNZELR-VIFPVBQESA-N 2 1 242.750 2.033 20 0 BEADMP COc1ccccc1C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000042442369 175324298 /nfs/dbraw/zinc/32/42/98/175324298.db2.gz SITBAJHKRMHPQP-CYBMUJFWSA-N 2 1 248.370 2.127 20 0 BEADMP COc1ccccc1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000042442369 175324300 /nfs/dbraw/zinc/32/43/00/175324300.db2.gz SITBAJHKRMHPQP-CYBMUJFWSA-N 2 1 248.370 2.127 20 0 BEADMP COc1ccsc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000336712864 175378954 /nfs/dbraw/zinc/37/89/54/175378954.db2.gz TXPUYGVVGZQZPU-JTQLQIEISA-N 2 1 242.388 2.044 20 0 BEADMP COc1ccsc1[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000186075755 175380116 /nfs/dbraw/zinc/38/01/16/175380116.db2.gz RBKGEMWVULZTJR-SNVBAGLBSA-N 2 1 242.388 2.359 20 0 BEADMP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235333518 176022246 /nfs/dbraw/zinc/02/22/46/176022246.db2.gz AWGQZEVMUZELRF-MDZLAQPJSA-N 2 1 204.317 2.027 20 0 BEADMP C[C@@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235333518 176022247 /nfs/dbraw/zinc/02/22/47/176022247.db2.gz AWGQZEVMUZELRF-MDZLAQPJSA-N 2 1 204.317 2.027 20 0 BEADMP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000031993137 176022380 /nfs/dbraw/zinc/02/23/80/176022380.db2.gz XMRFBZGJZDPMJZ-AAEUAGOBSA-N 2 1 204.317 2.171 20 0 BEADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000031993137 176022382 /nfs/dbraw/zinc/02/23/82/176022382.db2.gz XMRFBZGJZDPMJZ-AAEUAGOBSA-N 2 1 204.317 2.171 20 0 BEADMP C[C@@H](c1cccnc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226326734 176028935 /nfs/dbraw/zinc/02/89/35/176028935.db2.gz GDEORWNAMOOVFX-STQMWFEESA-N 2 1 233.359 2.203 20 0 BEADMP C[C@@H]1CCCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000069944969 176063183 /nfs/dbraw/zinc/06/31/83/176063183.db2.gz ZKYBDANLMGFETA-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000042856407 176084757 /nfs/dbraw/zinc/08/47/57/176084757.db2.gz RFJLHSSBKWKONS-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H]1C ZINC000051919682 176098936 /nfs/dbraw/zinc/09/89/36/176098936.db2.gz OGSNQQZUAJLEKT-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CCC[C@@H](CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000359294833 176117407 /nfs/dbraw/zinc/11/74/07/176117407.db2.gz AUVFLLAFSVICSF-BARDWOONSA-N 2 1 236.403 2.354 20 0 BEADMP C[C@@H]1CC[N@@H+](CCCCCF)C[C@@H]1C[NH3+] ZINC000336695459 176169064 /nfs/dbraw/zinc/16/90/64/176169064.db2.gz NWIANVCSFZTACX-NEPJUHHUSA-N 2 1 216.344 2.043 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000336778899 176268230 /nfs/dbraw/zinc/26/82/30/176268230.db2.gz MQWBSIMREOTHHI-NEPJUHHUSA-N 2 1 228.355 2.199 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000302212515 176269059 /nfs/dbraw/zinc/26/90/59/176269059.db2.gz XWTJNLFAVVKOJY-UTUOFQBUSA-N 2 1 246.345 2.352 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccccc1 ZINC000275296915 176269908 /nfs/dbraw/zinc/26/99/08/176269908.db2.gz PMTQEFRTNMTHJU-HIFRSBDPSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccccc1 ZINC000275296915 176269909 /nfs/dbraw/zinc/26/99/09/176269909.db2.gz PMTQEFRTNMTHJU-HIFRSBDPSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccccc1 ZINC000275296915 176269911 /nfs/dbraw/zinc/26/99/11/176269911.db2.gz PMTQEFRTNMTHJU-HIFRSBDPSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccccc1 ZINC000275296915 176269912 /nfs/dbraw/zinc/26/99/12/176269912.db2.gz PMTQEFRTNMTHJU-HIFRSBDPSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000358302574 176270280 /nfs/dbraw/zinc/27/02/80/176270280.db2.gz PSPPWDWXLNGYAN-IJLUTSLNSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000358302574 176270281 /nfs/dbraw/zinc/27/02/81/176270281.db2.gz PSPPWDWXLNGYAN-IJLUTSLNSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC000336236005 176270809 /nfs/dbraw/zinc/27/08/09/176270809.db2.gz GIPIORSPFUVUOC-TZMCWYRMSA-N 2 1 222.376 2.417 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CSC1(C)C ZINC000309823376 176280965 /nfs/dbraw/zinc/28/09/65/176280965.db2.gz WVTQGNGZADXBRE-KKOKHZNYSA-N 2 1 242.432 2.199 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)CC[C@@H]1[NH3+] ZINC000094341410 176304232 /nfs/dbraw/zinc/30/42/32/176304232.db2.gz QBTLNIVLAUZURD-WBMJQRKESA-N 2 1 244.382 2.344 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@@]1(C)C[NH3+] ZINC000335263328 176304632 /nfs/dbraw/zinc/30/46/32/176304632.db2.gz VSHBLEJABKIPPC-BXUZGUMPSA-N 2 1 236.334 2.242 20 0 BEADMP C[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235359837 176316778 /nfs/dbraw/zinc/31/67/78/176316778.db2.gz AWGQZEVMUZELRF-WZRBSPASSA-N 2 1 204.317 2.027 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCSC2)CC[N@H+]1C ZINC000304332837 176376246 /nfs/dbraw/zinc/37/62/46/176376246.db2.gz AOMXGNCCYIVOQJ-AGIUHOORSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccccc2)CC[N@@H+]1C ZINC000129652629 176376932 /nfs/dbraw/zinc/37/69/32/176376932.db2.gz XBJHOCRFFJIVDB-KGLIPLIRSA-N 2 1 248.370 2.138 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccccc2)CC[N@H+]1C ZINC000129652629 176376934 /nfs/dbraw/zinc/37/69/34/176376934.db2.gz XBJHOCRFFJIVDB-KGLIPLIRSA-N 2 1 248.370 2.138 20 0 BEADMP C[C@H](c1ccccn1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336275855 177043450 /nfs/dbraw/zinc/04/34/50/177043450.db2.gz PZHGKCPEXVZAKB-HIFRSBDPSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@H](c1ccccn1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336275855 177043451 /nfs/dbraw/zinc/04/34/51/177043451.db2.gz PZHGKCPEXVZAKB-HIFRSBDPSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@H](c1ccccn1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336275855 177043452 /nfs/dbraw/zinc/04/34/52/177043452.db2.gz PZHGKCPEXVZAKB-HIFRSBDPSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@H](c1ccccn1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336275855 177043453 /nfs/dbraw/zinc/04/34/53/177043453.db2.gz PZHGKCPEXVZAKB-HIFRSBDPSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@H](c1ccccn1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336275856 177043464 /nfs/dbraw/zinc/04/34/64/177043464.db2.gz PZHGKCPEXVZAKB-UKRRQHHQSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@H](c1ccccn1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336275856 177043465 /nfs/dbraw/zinc/04/34/65/177043465.db2.gz PZHGKCPEXVZAKB-UKRRQHHQSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@H](c1ccccn1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336275856 177043466 /nfs/dbraw/zinc/04/34/66/177043466.db2.gz PZHGKCPEXVZAKB-UKRRQHHQSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@H](c1ccccn1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336275856 177043467 /nfs/dbraw/zinc/04/34/67/177043467.db2.gz PZHGKCPEXVZAKB-UKRRQHHQSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@H](c1ccccn1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228473406 177044218 /nfs/dbraw/zinc/04/42/18/177044218.db2.gz NZZGOCAJVWEUFJ-XJFOESAGSA-N 2 1 245.370 2.202 20 0 BEADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226325932 177044271 /nfs/dbraw/zinc/04/42/71/177044271.db2.gz WWMCKIQIONJJKV-OLZOCXBDSA-N 2 1 233.359 2.203 20 0 BEADMP C[C@H](c1ccncc1)[N@@H+](C)CCc1cncn1C ZINC000289505059 177050256 /nfs/dbraw/zinc/05/02/56/177050256.db2.gz DUCNINUYUNMISR-GFCCVEGCSA-N 2 1 244.342 2.051 20 0 BEADMP C[C@H]1CCCCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000069945352 177070467 /nfs/dbraw/zinc/07/04/67/177070467.db2.gz QIMBGJFXRMUIGM-QWHCGFSZSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]CC1CC1 ZINC000037118285 177076020 /nfs/dbraw/zinc/07/60/20/177076020.db2.gz HPYDKFSJZGFPJY-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@H]1CCCC[C@@H]1[N@@H+](C)CC1CC[NH2+]CC1 ZINC000042610997 177080711 /nfs/dbraw/zinc/08/07/11/177080711.db2.gz JBVPRWCQBUWEBS-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000336347247 177159900 /nfs/dbraw/zinc/15/99/00/177159900.db2.gz AXBYJNWFTCSNGK-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000336347247 177159901 /nfs/dbraw/zinc/15/99/01/177159901.db2.gz AXBYJNWFTCSNGK-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000336347247 177159903 /nfs/dbraw/zinc/15/99/03/177159903.db2.gz AXBYJNWFTCSNGK-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000070643244 177193548 /nfs/dbraw/zinc/19/35/48/177193548.db2.gz MVNDERRYBDQOEP-WCQYABFASA-N 2 1 222.376 2.391 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000070643242 177204540 /nfs/dbraw/zinc/20/45/40/177204540.db2.gz MVNDERRYBDQOEP-AAEUAGOBSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000336775790 177234258 /nfs/dbraw/zinc/23/42/58/177234258.db2.gz CRNNJBUSBORSKR-XJFOESAGSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1C[N@H+](CCCCCCC[NH3+])C[C@H](C)O1 ZINC000020071874 177248118 /nfs/dbraw/zinc/24/81/18/177248118.db2.gz GOROZGHHSNVMQW-BETUJISGSA-N 2 1 228.380 2.005 20 0 BEADMP C[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC000335664602 177254769 /nfs/dbraw/zinc/25/47/69/177254769.db2.gz UIYFUXVTSOJEHF-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000124637588 177313359 /nfs/dbraw/zinc/31/33/59/177313359.db2.gz HNXRRYUWJZSYEN-MJBXVCDLSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1C[C@H](C)C[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000124637588 177313360 /nfs/dbraw/zinc/31/33/60/177313360.db2.gz HNXRRYUWJZSYEN-MJBXVCDLSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1C[C@H](C)C[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000124637588 177313362 /nfs/dbraw/zinc/31/33/62/177313362.db2.gz HNXRRYUWJZSYEN-MJBXVCDLSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000164188390 177317583 /nfs/dbraw/zinc/31/75/83/177317583.db2.gz GIYRGRDOZNJLRL-AGIUHOORSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C3CC3)C2)CC[NH2+]1 ZINC000400041237 225345477 /nfs/dbraw/zinc/34/54/77/225345477.db2.gz PANXYSCYJMOLHQ-YRGRVCCFSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@H](Cc1cccs1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400457255 226343984 /nfs/dbraw/zinc/34/39/84/226343984.db2.gz QGTXZYHWYFYWPY-WZRBSPASSA-N 2 1 238.400 2.409 20 0 BEADMP C[C@H](c1ccncc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228474606 487655165 /nfs/dbraw/zinc/65/51/65/487655165.db2.gz QMCRWCQNUWMDCQ-FAAHXZRKSA-N 2 1 245.370 2.202 20 0 BEADMP C[C@H](C[NH2+]C[C@H]1CCCC[NH2+]1)C(C)(C)C ZINC000162989940 487677060 /nfs/dbraw/zinc/67/70/60/487677060.db2.gz KLDBHQHUIXOIAV-VXGBXAGGSA-N 2 1 212.381 2.400 20 0 BEADMP C[NH2+][C@@H]1CC[N@H+](CCC(C)(C)C2CC2)C1 ZINC000328415553 487679915 /nfs/dbraw/zinc/67/99/15/487679915.db2.gz IFISDICXSZKDQJ-GFCCVEGCSA-N 2 1 210.365 2.106 20 0 BEADMP C[NH2+][C@@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000328415553 487679919 /nfs/dbraw/zinc/67/99/19/487679919.db2.gz IFISDICXSZKDQJ-GFCCVEGCSA-N 2 1 210.365 2.106 20 0 BEADMP C[NH2+][C@H]1CC[N@H+](CCC(C)(C)C2CC2)C1 ZINC000328415556 487679828 /nfs/dbraw/zinc/67/98/28/487679828.db2.gz IFISDICXSZKDQJ-LBPRGKRZSA-N 2 1 210.365 2.106 20 0 BEADMP C[NH2+][C@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000328415556 487679830 /nfs/dbraw/zinc/67/98/30/487679830.db2.gz IFISDICXSZKDQJ-LBPRGKRZSA-N 2 1 210.365 2.106 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000087792729 487686647 /nfs/dbraw/zinc/68/66/47/487686647.db2.gz YUTMPNUTEHAENN-OLZOCXBDSA-N 2 1 242.432 2.204 20 0 BEADMP CC1CC([NH2+][C@H](C[NH3+])C2CCCCC2)C1 ZINC000414851173 487709882 /nfs/dbraw/zinc/70/98/82/487709882.db2.gz OUIZYPGCDZANAP-KGPNIALWSA-N 2 1 210.365 2.282 20 0 BEADMP CC[C@H]1C[C@H]([NH2+]CCC[N@@H+](C)C(C)C)CCO1 ZINC000226340024 487714722 /nfs/dbraw/zinc/71/47/22/487714722.db2.gz JIAGANJGGRZTTH-KGLIPLIRSA-N 2 1 242.407 2.264 20 0 BEADMP CC(C)(CC[N@H+]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000328573719 487716455 /nfs/dbraw/zinc/71/64/55/487716455.db2.gz WDIRIWGXBIJBOU-LBPRGKRZSA-N 2 1 210.365 2.236 20 0 BEADMP c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)nc1 ZINC000250232860 487728736 /nfs/dbraw/zinc/72/87/36/487728736.db2.gz BSRRVURNVFKAFJ-DZGCQCFKSA-N 2 1 245.370 2.046 20 0 BEADMP c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)nc1 ZINC000250232860 487728740 /nfs/dbraw/zinc/72/87/40/487728740.db2.gz BSRRVURNVFKAFJ-DZGCQCFKSA-N 2 1 245.370 2.046 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250543448 487734425 /nfs/dbraw/zinc/73/44/25/487734425.db2.gz CHFWAZGVJCVBOG-ZIAGYGMSSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1nccs1 ZINC000223022601 487749183 /nfs/dbraw/zinc/74/91/83/487749183.db2.gz ZSQVGJXGSQNFSC-VWYCJHECSA-N 2 1 239.388 2.454 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CC1(F)F ZINC000666229556 487762446 /nfs/dbraw/zinc/76/24/46/487762446.db2.gz QXOWEWJJYUELNU-BXKDBHETSA-N 2 1 244.329 2.247 20 0 BEADMP CC[C@H]1C[N@@H+](CC2CCCC2)CC[C@H]1[NH3+] ZINC000251784115 487798438 /nfs/dbraw/zinc/79/84/38/487798438.db2.gz NFNSFCFEEKOLCQ-QWHCGFSZSA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@H]1C[N@H+](Cc2scnc2C)CC[C@H]1[NH3+] ZINC000251812635 487799734 /nfs/dbraw/zinc/79/97/34/487799734.db2.gz ORXZEECOXJYYKJ-WDEREUQCSA-N 2 1 239.388 2.011 20 0 BEADMP CC[C@H]1C[N@@H+](Cc2scnc2C)CC[C@H]1[NH3+] ZINC000251812635 487799735 /nfs/dbraw/zinc/79/97/35/487799735.db2.gz ORXZEECOXJYYKJ-WDEREUQCSA-N 2 1 239.388 2.011 20 0 BEADMP COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CCC[NH3+])c1 ZINC000414740207 487819844 /nfs/dbraw/zinc/81/98/44/487819844.db2.gz KTPNDLRVHIOJJB-WFASDCNBSA-N 2 1 248.370 2.427 20 0 BEADMP C[C@@H]1c2ccc(F)cc2CC[N@H+]1CCC[NH3+] ZINC000666642772 487847139 /nfs/dbraw/zinc/84/71/39/487847139.db2.gz OKNXDQGJHUSGCS-SNVBAGLBSA-N 2 1 222.307 2.094 20 0 BEADMP C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CCC[NH3+] ZINC000666642772 487847145 /nfs/dbraw/zinc/84/71/45/487847145.db2.gz OKNXDQGJHUSGCS-SNVBAGLBSA-N 2 1 222.307 2.094 20 0 BEADMP COCC[N@@H+](C)CCC[NH2+]C[C@H](C)C(C)(C)C ZINC000670266660 487874866 /nfs/dbraw/zinc/87/48/66/487874866.db2.gz QFSBSPSWAMJBMV-ZDUSSCGKSA-N 2 1 244.423 2.227 20 0 BEADMP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666769916 487875981 /nfs/dbraw/zinc/87/59/81/487875981.db2.gz HFOCQKRTCWRMCN-ZJUUUORDSA-N 2 1 238.297 2.449 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc2cnccc2c1 ZINC000666911659 487878849 /nfs/dbraw/zinc/87/88/49/487878849.db2.gz BQMVXCIKPHRBRU-AWEZNQCLSA-N 2 1 229.327 2.062 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCCCO ZINC000671770676 487882311 /nfs/dbraw/zinc/88/23/11/487882311.db2.gz XCKVABILBXGPSI-KBPBESRZSA-N 2 1 242.407 2.002 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCCCO ZINC000671770676 487882320 /nfs/dbraw/zinc/88/23/20/487882320.db2.gz XCKVABILBXGPSI-KBPBESRZSA-N 2 1 242.407 2.002 20 0 BEADMP [NH3+][C@H](C[NH2+]Cc1ccccc1C1CC1)C1CC1 ZINC000666834294 487887756 /nfs/dbraw/zinc/88/77/56/487887756.db2.gz ZPJBTFZQPYMEIU-OAHLLOKOSA-N 2 1 230.355 2.391 20 0 BEADMP C[NH2+]CCC[N@H+](C)C[C@H]1CCC2(CCCC2)O1 ZINC000229370086 487907041 /nfs/dbraw/zinc/90/70/41/487907041.db2.gz ORYFRMCKWDLZHO-CYBMUJFWSA-N 2 1 240.391 2.020 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CCC2(CCCC2)O1 ZINC000229370086 487907047 /nfs/dbraw/zinc/90/70/47/487907047.db2.gz ORYFRMCKWDLZHO-CYBMUJFWSA-N 2 1 240.391 2.020 20 0 BEADMP Cc1cccc(CNC[C@@H]2C[C@H](F)C[NH2+]2)c1C ZINC000666943453 487909871 /nfs/dbraw/zinc/90/98/71/487909871.db2.gz ITFGERSAVWRUHC-KBPBESRZSA-N 2 1 236.334 2.093 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCO2)[C@H]1CC[NH3+] ZINC000404296875 487916981 /nfs/dbraw/zinc/91/69/81/487916981.db2.gz OBYNMRCZALQCJE-RDBSUJKOSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)[C@@H]1CC[NH3+] ZINC000404294060 487917056 /nfs/dbraw/zinc/91/70/56/487917056.db2.gz MROAIQNFCHFBPZ-IUODEOHRSA-N 2 1 248.370 2.342 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000157892364 487928648 /nfs/dbraw/zinc/92/86/48/487928648.db2.gz SQABZFBHKYFATE-XQQFMLRXSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)C ZINC000248199089 323016820 /nfs/dbraw/zinc/01/68/20/323016820.db2.gz XZIQPSYCMVVNCT-IJLUTSLNSA-N 2 1 212.381 2.493 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)C ZINC000248199089 323016821 /nfs/dbraw/zinc/01/68/21/323016821.db2.gz XZIQPSYCMVVNCT-IJLUTSLNSA-N 2 1 212.381 2.493 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000562518993 323022690 /nfs/dbraw/zinc/02/26/90/323022690.db2.gz SXECNNROCKQDSX-MQYQWHSLSA-N 2 1 242.407 2.262 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000562518993 323022691 /nfs/dbraw/zinc/02/26/91/323022691.db2.gz SXECNNROCKQDSX-MQYQWHSLSA-N 2 1 242.407 2.262 20 0 BEADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCC12CCOCC2 ZINC000562956243 323034938 /nfs/dbraw/zinc/03/49/38/323034938.db2.gz KSDMXYYMJGITPV-QWHCGFSZSA-N 2 1 240.391 2.053 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC12CCOCC2 ZINC000562956241 323035051 /nfs/dbraw/zinc/03/50/51/323035051.db2.gz KSDMXYYMJGITPV-CHWSQXEVSA-N 2 1 240.391 2.053 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccoc1 ZINC000572630637 323039208 /nfs/dbraw/zinc/03/92/08/323039208.db2.gz GTRNROLZIQWTBS-SCVCMEIPSA-N 2 1 208.305 2.071 20 0 BEADMP C[C@H](Cc1ccsc1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000570026337 323047616 /nfs/dbraw/zinc/04/76/16/323047616.db2.gz OYJKHEPFXTZCSW-NQBHXWOUSA-N 2 1 238.400 2.267 20 0 BEADMP Cc1nc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)sc1C ZINC000570106707 323050110 /nfs/dbraw/zinc/05/01/10/323050110.db2.gz OLWNZPHCRQSEBG-GHMZBOCLSA-N 2 1 239.388 2.119 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC2(F)F)CC[N@H+]1C ZINC000394491617 323055470 /nfs/dbraw/zinc/05/54/70/323055470.db2.gz CPDFKCAMEVZNRW-UTUOFQBUSA-N 2 1 246.345 2.494 20 0 BEADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000570673558 323066711 /nfs/dbraw/zinc/06/67/11/323066711.db2.gz DHTVHKBKHRYKEK-AAEUAGOBSA-N 2 1 249.358 2.159 20 0 BEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cc1 ZINC000401766496 323120043 /nfs/dbraw/zinc/12/00/43/323120043.db2.gz GOEYBUVAQSRWOP-NSHDSACASA-N 2 1 247.317 2.453 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC[N@H+]1C ZINC000403838011 323128252 /nfs/dbraw/zinc/12/82/52/323128252.db2.gz OQUSEYLSOIFDGP-UXXRCYHCSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CCc2c[nH+]cn2C)C[C@H]1C ZINC000401879751 323128765 /nfs/dbraw/zinc/12/87/65/323128765.db2.gz PSEMNHYWANWNAD-JHJVBQTASA-N 2 1 235.375 2.377 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000414654292 323151010 /nfs/dbraw/zinc/15/10/10/323151010.db2.gz BVYAHZHLFQFOKL-XHSDSOJGSA-N 2 1 244.382 2.474 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000414654292 323151011 /nfs/dbraw/zinc/15/10/11/323151011.db2.gz BVYAHZHLFQFOKL-XHSDSOJGSA-N 2 1 244.382 2.474 20 0 BEADMP CC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@@H+](C)CCOC ZINC000531940477 323156035 /nfs/dbraw/zinc/15/60/35/323156035.db2.gz ABPVOGTWFPBYOT-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP CCCCC[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000541892866 323162072 /nfs/dbraw/zinc/16/20/72/323162072.db2.gz ODQDUIWEYJDMIC-LBPRGKRZSA-N 2 1 221.348 2.400 20 0 BEADMP C(C[NH2+]CC1CCCCC1)C[NH+]1CCC1 ZINC000563819499 323179125 /nfs/dbraw/zinc/17/91/25/323179125.db2.gz LZSCGFQWFUHNCT-UHFFFAOYSA-N 2 1 210.365 2.252 20 0 BEADMP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530216252 323217361 /nfs/dbraw/zinc/21/73/61/323217361.db2.gz OWKPMIVYENEBDY-YPMHNXCESA-N 2 1 234.343 2.085 20 0 BEADMP C[NH+]1CCC([NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000324696477 323263883 /nfs/dbraw/zinc/26/38/83/323263883.db2.gz WSMISCDLHPJSAJ-AWEZNQCLSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@H]1CCCC[C@H]1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043327663 323273240 /nfs/dbraw/zinc/27/32/40/323273240.db2.gz QBNWHYTVCMRRRZ-RWMBFGLXSA-N 2 1 210.365 2.154 20 0 BEADMP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000235443670 487959847 /nfs/dbraw/zinc/95/98/47/487959847.db2.gz IDJUBKJLJSYUQJ-OLZOCXBDSA-N 2 1 236.359 2.332 20 0 BEADMP CC[NH2+]CCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000572510377 324136718 /nfs/dbraw/zinc/13/67/18/324136718.db2.gz AXJGCYWUXOXIBZ-AWEZNQCLSA-N 2 1 248.370 2.490 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529537652 324329669 /nfs/dbraw/zinc/32/96/69/324329669.db2.gz GOYHPJNZCCCTRL-SECBINFHSA-N 2 1 243.301 2.215 20 0 BEADMP CO[C@H](C)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000542923895 325063567 /nfs/dbraw/zinc/06/35/67/325063567.db2.gz MTXBRWPBBRMWLP-CYBMUJFWSA-N 2 1 242.407 2.074 20 0 BEADMP COCCCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860426 325318256 /nfs/dbraw/zinc/31/82/56/325318256.db2.gz XOEFTJGPHATTAO-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP COCCCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860426 325318254 /nfs/dbraw/zinc/31/82/54/325318254.db2.gz XOEFTJGPHATTAO-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCCOC)C1 ZINC000076002680 325324874 /nfs/dbraw/zinc/32/48/74/325324874.db2.gz KDTMMKNZZKWSAT-AWEZNQCLSA-N 2 1 242.407 2.077 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000548859833 325488670 /nfs/dbraw/zinc/48/86/70/325488670.db2.gz QZYOHWGSSHZEKD-BNOWGMLFSA-N 2 1 233.359 2.131 20 0 BEADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCC[NH+]1CCC1 ZINC000565215472 325877142 /nfs/dbraw/zinc/87/71/42/325877142.db2.gz KDDYBNANGKEKQL-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CCN1CCC([N@H+](C)Cc2ccc(C)cn2)CC1 ZINC000154283389 326138202 /nfs/dbraw/zinc/13/82/02/326138202.db2.gz LIPUTECSEKHZBQ-UHFFFAOYSA-N 2 1 247.386 2.306 20 0 BEADMP CCN1CCC([N@@H+](C)Cc2ccc(C)cn2)CC1 ZINC000154283389 326138205 /nfs/dbraw/zinc/13/82/05/326138205.db2.gz LIPUTECSEKHZBQ-UHFFFAOYSA-N 2 1 247.386 2.306 20 0 BEADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccccc1OC ZINC000567639094 326236430 /nfs/dbraw/zinc/23/64/30/326236430.db2.gz ULQFTIMMBAFJJP-GFCCVEGCSA-N 2 1 236.359 2.345 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000314188664 326294367 /nfs/dbraw/zinc/29/43/67/326294367.db2.gz QXQPXXNBDVNKNG-YPMHNXCESA-N 2 1 221.348 2.131 20 0 BEADMP C[C@@H]1CCC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000314188660 326294524 /nfs/dbraw/zinc/29/45/24/326294524.db2.gz QXQPXXNBDVNKNG-DGCLKSJQSA-N 2 1 221.348 2.131 20 0 BEADMP C[C@H](c1ccccn1)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000568828151 326378177 /nfs/dbraw/zinc/37/81/77/326378177.db2.gz PMLBDHWQKPPUSD-HZSPNIEDSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c(C)n1 ZINC000568996944 326385571 /nfs/dbraw/zinc/38/55/71/326385571.db2.gz NZBBDBVNQKFUNZ-BXUZGUMPSA-N 2 1 233.359 2.010 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c(C)n1 ZINC000568996944 326385573 /nfs/dbraw/zinc/38/55/73/326385573.db2.gz NZBBDBVNQKFUNZ-BXUZGUMPSA-N 2 1 233.359 2.010 20 0 BEADMP CC[N@H+](CCCc1c[nH+]cn1C)CC1CC1 ZINC000569255591 326398045 /nfs/dbraw/zinc/39/80/45/326398045.db2.gz AIPMUTBNEAIVJY-UHFFFAOYSA-N 2 1 221.348 2.085 20 0 BEADMP CC[N@@H+](CCCc1c[nH+]cn1C)CC1CC1 ZINC000569255591 326398046 /nfs/dbraw/zinc/39/80/46/326398046.db2.gz AIPMUTBNEAIVJY-UHFFFAOYSA-N 2 1 221.348 2.085 20 0 BEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1c(F)cccc1F ZINC000572951415 326420541 /nfs/dbraw/zinc/42/05/41/326420541.db2.gz OVWOQEQEKSFGKU-RKDXNWHRSA-N 2 1 228.286 2.180 20 0 BEADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)CO2 ZINC000573082369 326428673 /nfs/dbraw/zinc/42/86/73/326428673.db2.gz VZKMWNKJRWYVDO-SGMGOOAPSA-N 2 1 246.354 2.016 20 0 BEADMP C1=C(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000401027251 488000181 /nfs/dbraw/zinc/00/01/81/488000181.db2.gz KOZRYILJPMTYTG-KBPBESRZSA-N 2 1 220.360 2.313 20 0 BEADMP C1=C(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000401027254 488000199 /nfs/dbraw/zinc/00/01/99/488000199.db2.gz KOZRYILJPMTYTG-UONOGXRCSA-N 2 1 220.360 2.313 20 0 BEADMP C[C@@H]([NH3+])CCNc1[nH+]ccc2ccccc21 ZINC000123791106 488011146 /nfs/dbraw/zinc/01/11/46/488011146.db2.gz HOVYLEYYGQTQOD-SNVBAGLBSA-N 2 1 215.300 2.384 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000235885600 488028223 /nfs/dbraw/zinc/02/82/23/488028223.db2.gz QWHDSGCUVAMONU-NSHDSACASA-N 2 1 238.762 2.429 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000235885600 488028226 /nfs/dbraw/zinc/02/82/26/488028226.db2.gz QWHDSGCUVAMONU-NSHDSACASA-N 2 1 238.762 2.429 20 0 BEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCOCc1ccccc1 ZINC000309705104 488034573 /nfs/dbraw/zinc/03/45/73/488034573.db2.gz HLCFKZKLZJRKSF-DZGCQCFKSA-N 2 1 248.370 2.015 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCOCc1ccccc1 ZINC000309705109 488034643 /nfs/dbraw/zinc/03/46/43/488034643.db2.gz HLCFKZKLZJRKSF-ZFWWWQNUSA-N 2 1 248.370 2.015 20 0 BEADMP Cc1[nH+]cc(CN(C)Cc2ccoc2C)n1C ZINC000667551620 488042317 /nfs/dbraw/zinc/04/23/17/488042317.db2.gz RYHUNKOIWFHVBQ-UHFFFAOYSA-N 2 1 233.315 2.262 20 0 BEADMP C[C@@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667553811 488043489 /nfs/dbraw/zinc/04/34/89/488043489.db2.gz AIOXIJTVJLBOCT-GFCCVEGCSA-N 2 1 242.326 2.109 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667553811 488043491 /nfs/dbraw/zinc/04/34/91/488043491.db2.gz AIOXIJTVJLBOCT-GFCCVEGCSA-N 2 1 242.326 2.109 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C2CCCC2)CC1(C)C ZINC000084477027 488053858 /nfs/dbraw/zinc/05/38/58/488053858.db2.gz VVCSDTXYKGFAGZ-LBPRGKRZSA-N 2 1 210.365 2.391 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2C[C@@]2(F)c2ccccc2)C1 ZINC000656200612 488066180 /nfs/dbraw/zinc/06/61/80/488066180.db2.gz SEJZOUDRJNPVRO-CBBWQLFWSA-N 2 1 248.345 2.483 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@]2(F)c2ccccc2)C1 ZINC000656200613 488067182 /nfs/dbraw/zinc/06/71/82/488067182.db2.gz SEJZOUDRJNPVRO-LXTVHRRPSA-N 2 1 248.345 2.483 20 0 BEADMP Cc1nc(N[C@@H]2CCC[C@H]([NH3+])C2)c(C)c(C)[nH+]1 ZINC000257665762 488077953 /nfs/dbraw/zinc/07/79/53/488077953.db2.gz YCSAZDLYUOCGDM-NWDGAFQWSA-N 2 1 234.347 2.084 20 0 BEADMP C[C@@H](c1ccncc1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257687932 488081709 /nfs/dbraw/zinc/08/17/09/488081709.db2.gz IMCQKJDRNOILEF-DZGCQCFKSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@@H](c1ccncc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257687932 488081715 /nfs/dbraw/zinc/08/17/15/488081715.db2.gz IMCQKJDRNOILEF-DZGCQCFKSA-N 2 1 245.370 2.218 20 0 BEADMP Cc1cc(C[N@@H+](C)CCC[NH3+])c2ccccc2n1 ZINC000092347455 488090155 /nfs/dbraw/zinc/09/01/55/488090155.db2.gz QVOWXKBQYHQNND-UHFFFAOYSA-N 2 1 243.354 2.324 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403375565 488122014 /nfs/dbraw/zinc/12/20/14/488122014.db2.gz KEHPKZWJWUMXPE-XGFWRYKXSA-N 2 1 222.376 2.234 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000403611300 488129455 /nfs/dbraw/zinc/12/94/55/488129455.db2.gz ITMDASIFBROVJD-ARILJUKYSA-N 2 1 234.387 2.106 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000403611300 488129462 /nfs/dbraw/zinc/12/94/62/488129462.db2.gz ITMDASIFBROVJD-ARILJUKYSA-N 2 1 234.387 2.106 20 0 BEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC[C@H]1[NH3+] ZINC000403627704 488129530 /nfs/dbraw/zinc/12/95/30/488129530.db2.gz MITJONIZFSLLQQ-ARILJUKYSA-N 2 1 236.403 2.482 20 0 BEADMP CCOc1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000258778964 488133249 /nfs/dbraw/zinc/13/32/49/488133249.db2.gz BEWAAKBGSLTVEE-CQSZACIVSA-N 2 1 248.370 2.127 20 0 BEADMP CC(C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294306 487542217 /nfs/dbraw/zinc/54/22/17/487542217.db2.gz LFWKSGBQCJRQJC-CYBMUJFWSA-N 2 1 210.365 2.106 20 0 BEADMP C[NH+]1CCC([C@H]2CC[N@@H+](CC3(F)CC3)C2)CC1 ZINC000685462853 487530630 /nfs/dbraw/zinc/53/06/30/487530630.db2.gz UAJIXMIBCRQEIB-ZDUSSCGKSA-N 2 1 240.366 2.152 20 0 BEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CC3(F)CC3)C2)CC1 ZINC000685462852 487530369 /nfs/dbraw/zinc/53/03/69/487530369.db2.gz UAJIXMIBCRQEIB-CYBMUJFWSA-N 2 1 240.366 2.152 20 0 BEADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@@H]1C[C@H]1C ZINC000668747294 487473297 /nfs/dbraw/zinc/47/32/97/487473297.db2.gz GBKZHNGHANRMFG-NEPJUHHUSA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@@H]1C[C@H]1C ZINC000668747294 487473299 /nfs/dbraw/zinc/47/32/99/487473299.db2.gz GBKZHNGHANRMFG-NEPJUHHUSA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@H]1C[C@H]1C ZINC000668747301 487473360 /nfs/dbraw/zinc/47/33/60/487473360.db2.gz GBKZHNGHANRMFG-VXGBXAGGSA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@H]1C[C@H]1C ZINC000668747301 487473361 /nfs/dbraw/zinc/47/33/61/487473361.db2.gz GBKZHNGHANRMFG-VXGBXAGGSA-N 2 1 212.381 2.352 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000304531855 487510336 /nfs/dbraw/zinc/51/03/36/487510336.db2.gz HBHQISNRUMLMLV-YIYPIFLZSA-N 2 1 222.376 2.106 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2ccsc2)CCCC1 ZINC000063147334 487515285 /nfs/dbraw/zinc/51/52/85/487515285.db2.gz RRXAECQCQZJOJU-UHFFFAOYSA-N 2 1 210.346 2.109 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000668236711 487518605 /nfs/dbraw/zinc/51/86/05/487518605.db2.gz UOSBEYXVALMPSV-KBXIAJHMSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000394413137 487679376 /nfs/dbraw/zinc/67/93/76/487679376.db2.gz RNQDJJQAYLLJBD-YNEHKIRRSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252417671 487824061 /nfs/dbraw/zinc/82/40/61/487824061.db2.gz SUSIWNCPSNUWKN-MELADBBJSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@@H+](Cc1ccc(F)c(F)c1)C[C@@H]1CC[NH2+]C1 ZINC000259033018 488147724 /nfs/dbraw/zinc/14/77/24/488147724.db2.gz ZUGJJVKYLVYADI-LLVKDONJSA-N 2 1 240.297 2.006 20 0 BEADMP C[N@H+](Cc1ccc(F)c(F)c1)C[C@@H]1CC[NH2+]C1 ZINC000259033018 488147728 /nfs/dbraw/zinc/14/77/28/488147728.db2.gz ZUGJJVKYLVYADI-LLVKDONJSA-N 2 1 240.297 2.006 20 0 BEADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(O)cc2)CC1 ZINC000683357847 488153420 /nfs/dbraw/zinc/15/34/20/488153420.db2.gz DZOCMNLFMNGNJZ-AWEZNQCLSA-N 2 1 248.370 2.308 20 0 BEADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(O)cc2)CC1 ZINC000683357847 488153425 /nfs/dbraw/zinc/15/34/25/488153425.db2.gz DZOCMNLFMNGNJZ-AWEZNQCLSA-N 2 1 248.370 2.308 20 0 BEADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(O)cc2)CC1 ZINC000683357848 488153740 /nfs/dbraw/zinc/15/37/40/488153740.db2.gz DZOCMNLFMNGNJZ-CQSZACIVSA-N 2 1 248.370 2.308 20 0 BEADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2)CC1 ZINC000683357848 488153743 /nfs/dbraw/zinc/15/37/43/488153743.db2.gz DZOCMNLFMNGNJZ-CQSZACIVSA-N 2 1 248.370 2.308 20 0 BEADMP C[C@@H]([N@H+](C)CCCc1c[nH+]cn1C)C1(C)CC1 ZINC000563893959 488177587 /nfs/dbraw/zinc/17/75/87/488177587.db2.gz FVLDORZHSUTRGZ-GFCCVEGCSA-N 2 1 235.375 2.473 20 0 BEADMP C[C@@H]([N@@H+](C)CCCc1c[nH+]cn1C)C1(C)CC1 ZINC000563893959 488177592 /nfs/dbraw/zinc/17/75/92/488177592.db2.gz FVLDORZHSUTRGZ-GFCCVEGCSA-N 2 1 235.375 2.473 20 0 BEADMP Cn1c[nH+]cc1CCC[NH2+]C1(C2CCC2)CC1 ZINC000653778592 488181795 /nfs/dbraw/zinc/18/17/95/488181795.db2.gz AHXCHTFLDJZUCK-UHFFFAOYSA-N 2 1 233.359 2.275 20 0 BEADMP C[N@H+](CCOC(C)(C)C)CC[C@H]1CCC[NH+]1C ZINC000678077781 488193281 /nfs/dbraw/zinc/19/32/81/488193281.db2.gz GUEGFRMKVMWFPF-CYBMUJFWSA-N 2 1 242.407 2.218 20 0 BEADMP C[N@@H+](CCOC(C)(C)C)CC[C@H]1CCC[NH+]1C ZINC000678077781 488193286 /nfs/dbraw/zinc/19/32/86/488193286.db2.gz GUEGFRMKVMWFPF-CYBMUJFWSA-N 2 1 242.407 2.218 20 0 BEADMP C[NH+](CCOC(C)(C)C)CC[C@H]1CCC[N@@H+]1C ZINC000678077781 488193287 /nfs/dbraw/zinc/19/32/87/488193287.db2.gz GUEGFRMKVMWFPF-CYBMUJFWSA-N 2 1 242.407 2.218 20 0 BEADMP C[NH+](CCOC(C)(C)C)CC[C@H]1CCC[N@H+]1C ZINC000678077781 488193290 /nfs/dbraw/zinc/19/32/90/488193290.db2.gz GUEGFRMKVMWFPF-CYBMUJFWSA-N 2 1 242.407 2.218 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC2CCC2)C1 ZINC000398799009 488224592 /nfs/dbraw/zinc/22/45/92/488224592.db2.gz NDJLOEGAYJAMKA-WCQYABFASA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC2CCC2)C1 ZINC000398799010 488224720 /nfs/dbraw/zinc/22/47/20/488224720.db2.gz NDJLOEGAYJAMKA-YPMHNXCESA-N 2 1 210.365 2.236 20 0 BEADMP C/C(=C/c1ccccc1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000678343290 488243182 /nfs/dbraw/zinc/24/31/82/488243182.db2.gz PBPJUZAWZYWQDZ-MXYRBXQYSA-N 2 1 242.366 2.241 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000684367020 488301788 /nfs/dbraw/zinc/30/17/88/488301788.db2.gz JWZLPGBCEDXBGR-MGPQQGTHSA-N 2 1 242.407 2.264 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC(F)(F)C2)[C@@H](C)C1 ZINC000679073688 488306142 /nfs/dbraw/zinc/30/61/42/488306142.db2.gz NFROUMNEVSRKOK-SRVKXCTJSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@H](CCCCO)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000679339060 488341647 /nfs/dbraw/zinc/34/16/47/488341647.db2.gz CXCXIWVVQSBEGV-CYBMUJFWSA-N 2 1 242.407 2.002 20 0 BEADMP C[C@H](CCCCO)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000679339060 488341649 /nfs/dbraw/zinc/34/16/49/488341649.db2.gz CXCXIWVVQSBEGV-CYBMUJFWSA-N 2 1 242.407 2.002 20 0 BEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(O)cc2)C1 ZINC000679392233 488349734 /nfs/dbraw/zinc/34/97/34/488349734.db2.gz KLVIFRYQYMFZOO-CQSZACIVSA-N 2 1 248.370 2.166 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(O)cc2)C1 ZINC000679392233 488349736 /nfs/dbraw/zinc/34/97/36/488349736.db2.gz KLVIFRYQYMFZOO-CQSZACIVSA-N 2 1 248.370 2.166 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(O)cc2)C1 ZINC000679392233 488349738 /nfs/dbraw/zinc/34/97/38/488349738.db2.gz KLVIFRYQYMFZOO-CQSZACIVSA-N 2 1 248.370 2.166 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000679392233 488349740 /nfs/dbraw/zinc/34/97/40/488349740.db2.gz KLVIFRYQYMFZOO-CQSZACIVSA-N 2 1 248.370 2.166 20 0 BEADMP C[N@H+]1CCC[C@@H](CC[NH2+]CC2(C)CCC2)C1 ZINC000459726324 490132888 /nfs/dbraw/zinc/13/28/88/490132888.db2.gz BQMLYWFNXLRPPQ-ZDUSSCGKSA-N 2 1 224.392 2.498 20 0 BEADMP CC1(C)CC[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)C1 ZINC000129586061 490153486 /nfs/dbraw/zinc/15/34/86/490153486.db2.gz XMPDXDDOKXFROX-NWDGAFQWSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@H](CCc1ccco1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000235444332 490164165 /nfs/dbraw/zinc/16/41/65/490164165.db2.gz IDJUBKJLJSYUQJ-CHWSQXEVSA-N 2 1 236.359 2.332 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCC(OC)CC1 ZINC000130046573 490215007 /nfs/dbraw/zinc/21/50/07/490215007.db2.gz IOXQUIXFVWDXRQ-HSBZDZAISA-N 2 1 242.407 2.264 20 0 BEADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300802358 490569121 /nfs/dbraw/zinc/56/91/21/490569121.db2.gz DCTPNDQNNGXZQK-WDEREUQCSA-N 2 1 232.318 2.093 20 0 BEADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000038040963 491076470 /nfs/dbraw/zinc/07/64/70/491076470.db2.gz FYHVVKQOMHKNCP-VIFPVBQESA-N 2 1 240.297 2.367 20 0 BEADMP CC[C@H](C)[N@@H+](CC)CCC1CC[NH2+]CC1 ZINC000037113338 491078620 /nfs/dbraw/zinc/07/86/20/491078620.db2.gz TVDVLKIQNXTURS-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CCc1cc(NCCC[NH+]2CCCC2)nc(C)[nH+]1 ZINC000088760401 491108429 /nfs/dbraw/zinc/10/84/29/491108429.db2.gz ABCJLRDYZUUQIC-UHFFFAOYSA-N 2 1 248.374 2.245 20 0 BEADMP c1c2ccccc2oc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090320520 491124416 /nfs/dbraw/zinc/12/44/16/491124416.db2.gz YCJPSVRQEIWUCE-CHWSQXEVSA-N 2 1 242.322 2.084 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)CCCOC ZINC000309662137 491154099 /nfs/dbraw/zinc/15/40/99/491154099.db2.gz RRMXSONBGUMHDX-OLZOCXBDSA-N 2 1 230.396 2.121 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C ZINC000083391126 491161492 /nfs/dbraw/zinc/16/14/92/491161492.db2.gz FKRQBNSLXBNQBZ-RWMBFGLXSA-N 2 1 212.381 2.495 20 0 BEADMP CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000310466800 491161564 /nfs/dbraw/zinc/16/15/64/491161564.db2.gz XQQSWZJFODXXLU-BFHYXJOUSA-N 2 1 242.407 2.262 20 0 BEADMP CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000310466800 491161565 /nfs/dbraw/zinc/16/15/65/491161565.db2.gz XQQSWZJFODXXLU-BFHYXJOUSA-N 2 1 242.407 2.262 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000488310707 533721918 /nfs/dbraw/zinc/72/19/18/533721918.db2.gz HJMONTNTFAWEAR-XJFOESAGSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000488310707 533721925 /nfs/dbraw/zinc/72/19/25/533721925.db2.gz HJMONTNTFAWEAR-XJFOESAGSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000488310707 533721932 /nfs/dbraw/zinc/72/19/32/533721932.db2.gz HJMONTNTFAWEAR-XJFOESAGSA-N 2 1 222.376 2.059 20 0 BEADMP CSC[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000400115083 533748998 /nfs/dbraw/zinc/74/89/98/533748998.db2.gz JDWCSERQAQQCNM-AVGNSLFASA-N 2 1 242.432 2.202 20 0 BEADMP Cc1cccc(C)c1OCCC[NH2+][C@@H]1CC[NH2+]C1 ZINC000507339368 534681429 /nfs/dbraw/zinc/68/14/29/534681429.db2.gz JIVOSQMWSHCWDU-CQSZACIVSA-N 2 1 248.370 2.024 20 0 BEADMP C[NH2+]C[C@H]1CCCN(c2cc[nH+]cc2Cl)C1 ZINC000086839729 536466249 /nfs/dbraw/zinc/46/62/49/536466249.db2.gz CMETWDXWUOPEEP-SNVBAGLBSA-N 2 1 239.750 2.171 20 0 BEADMP C[N@@H+](Cc1ccc(Cl)cc1)C1CC([NH3+])C1 ZINC000087653303 536468683 /nfs/dbraw/zinc/46/86/83/536468683.db2.gz QOUGSYDBTUKSMA-UHFFFAOYSA-N 2 1 224.735 2.262 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000494960060 527816923 /nfs/dbraw/zinc/81/69/23/527816923.db2.gz XPQLSXMEVCJQLA-QWHCGFSZSA-N 2 1 242.432 2.013 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCSC2)C1 ZINC000494960060 527816913 /nfs/dbraw/zinc/81/69/13/527816913.db2.gz XPQLSXMEVCJQLA-QWHCGFSZSA-N 2 1 242.432 2.013 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCSC2)C1 ZINC000494960060 527816919 /nfs/dbraw/zinc/81/69/19/527816919.db2.gz XPQLSXMEVCJQLA-QWHCGFSZSA-N 2 1 242.432 2.013 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C ZINC000309053826 528352452 /nfs/dbraw/zinc/35/24/52/528352452.db2.gz SLBRKXCRXAUKTR-UPJWGTAASA-N 2 1 212.381 2.352 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C ZINC000309053826 528352459 /nfs/dbraw/zinc/35/24/59/528352459.db2.gz SLBRKXCRXAUKTR-UPJWGTAASA-N 2 1 212.381 2.352 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@@H]1C[C@@H]1C ZINC000309053827 528352812 /nfs/dbraw/zinc/35/28/12/528352812.db2.gz SLBRKXCRXAUKTR-XQQFMLRXSA-N 2 1 212.381 2.352 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H]1C[C@@H]1C ZINC000309053827 528352817 /nfs/dbraw/zinc/35/28/17/528352817.db2.gz SLBRKXCRXAUKTR-XQQFMLRXSA-N 2 1 212.381 2.352 20 0 BEADMP CCCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000174773439 528368021 /nfs/dbraw/zinc/36/80/21/528368021.db2.gz ALXVSQKROVXQKK-STQMWFEESA-N 2 1 212.381 2.449 20 0 BEADMP CCCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000174773439 528368025 /nfs/dbraw/zinc/36/80/25/528368025.db2.gz ALXVSQKROVXQKK-STQMWFEESA-N 2 1 212.381 2.449 20 0 BEADMP CCCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000174773439 528368027 /nfs/dbraw/zinc/36/80/27/528368027.db2.gz ALXVSQKROVXQKK-STQMWFEESA-N 2 1 212.381 2.449 20 0 BEADMP CO[C@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[N@H+]2C)C1 ZINC001172927770 974973537 /nfs/dbraw/zinc/97/35/37/974973537.db2.gz ZVVKNMNPDNLSKX-MCIONIFRSA-N 2 1 240.391 2.018 20 0 BEADMP CC[C@H]1CC[C@@H]1[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000309090174 529250115 /nfs/dbraw/zinc/25/01/15/529250115.db2.gz BXABFRUWHKBKTL-AGIUHOORSA-N 2 1 212.381 2.493 20 0 BEADMP CC[C@H]1CC[C@@H]1[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000309090174 529250117 /nfs/dbraw/zinc/25/01/17/529250117.db2.gz BXABFRUWHKBKTL-AGIUHOORSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000335313150 535023756 /nfs/dbraw/zinc/02/37/56/535023756.db2.gz NFWFIHGJHDRVBL-FUNVUKJBSA-N 2 1 210.365 2.199 20 0 BEADMP CC(C)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000335313150 535023763 /nfs/dbraw/zinc/02/37/63/535023763.db2.gz NFWFIHGJHDRVBL-FUNVUKJBSA-N 2 1 210.365 2.199 20 0 BEADMP CC(C)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000335313150 535023768 /nfs/dbraw/zinc/02/37/68/535023768.db2.gz NFWFIHGJHDRVBL-FUNVUKJBSA-N 2 1 210.365 2.199 20 0 BEADMP CCCC[C@H](COC)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247110143 535042462 /nfs/dbraw/zinc/04/24/62/535042462.db2.gz ABFZJAMJJCCBEU-MELADBBJSA-N 2 1 242.407 2.264 20 0 BEADMP CCCC[C@H](COC)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247110143 535042470 /nfs/dbraw/zinc/04/24/70/535042470.db2.gz ABFZJAMJJCCBEU-MELADBBJSA-N 2 1 242.407 2.264 20 0 BEADMP CC(C)[C@@H](C)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348078406 535159330 /nfs/dbraw/zinc/15/93/30/535159330.db2.gz LAMJCSXKBSYTJB-OLZOCXBDSA-N 2 1 212.381 2.447 20 0 BEADMP CC(C)[C@@H](C)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000348078406 535159338 /nfs/dbraw/zinc/15/93/38/535159338.db2.gz LAMJCSXKBSYTJB-OLZOCXBDSA-N 2 1 212.381 2.447 20 0 BEADMP CC(C)[C@@H](C)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000348078406 535159340 /nfs/dbraw/zinc/15/93/40/535159340.db2.gz LAMJCSXKBSYTJB-OLZOCXBDSA-N 2 1 212.381 2.447 20 0 BEADMP CC(C)[C@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCS1 ZINC000261729279 535238856 /nfs/dbraw/zinc/23/88/56/535238856.db2.gz GZBJBWCMIQPTKL-CHWSQXEVSA-N 2 1 242.432 2.059 20 0 BEADMP CC[NH+]1CCC([N@H+](C)CC[C@@H](C)F)CC1 ZINC000352001198 535456895 /nfs/dbraw/zinc/45/68/95/535456895.db2.gz AADBTGSURZICCJ-LLVKDONJSA-N 2 1 216.344 2.151 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)CC[C@@H](C)F)CC1 ZINC000352001198 535456900 /nfs/dbraw/zinc/45/69/00/535456900.db2.gz AADBTGSURZICCJ-LLVKDONJSA-N 2 1 216.344 2.151 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](C)[C@H]1CCSC1 ZINC000179568555 535503787 /nfs/dbraw/zinc/50/37/87/535503787.db2.gz ORTWGCXFUJAFHO-LBPRGKRZSA-N 2 1 230.421 2.156 20 0 BEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC000174211816 535584829 /nfs/dbraw/zinc/58/48/29/535584829.db2.gz NJWJGVTXSIZUGP-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CCOC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C(C)C ZINC000348481046 535669986 /nfs/dbraw/zinc/66/99/86/535669986.db2.gz SXWCOHUZHMGNOO-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCCO1 ZINC000181741713 535808528 /nfs/dbraw/zinc/80/85/28/535808528.db2.gz RGGMWZABEGYHFN-SYQHCUMBSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CCCO1 ZINC000181741713 535808529 /nfs/dbraw/zinc/80/85/29/535808529.db2.gz RGGMWZABEGYHFN-SYQHCUMBSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC000226867390 535902278 /nfs/dbraw/zinc/90/22/78/535902278.db2.gz ACOZWPOTZYBXTO-REWJHTLYSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC000226867390 535902286 /nfs/dbraw/zinc/90/22/86/535902286.db2.gz ACOZWPOTZYBXTO-REWJHTLYSA-N 2 1 240.391 2.016 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261554052 535936265 /nfs/dbraw/zinc/93/62/65/535936265.db2.gz AOXVSQNJHNTAEQ-HOCLYGCPSA-N 2 1 244.382 2.290 20 0 BEADMP CC[C@@]1(C)CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261918607 536038336 /nfs/dbraw/zinc/03/83/36/536038336.db2.gz ZZFDMFIRTSZNFN-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP CCc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261587432 536180172 /nfs/dbraw/zinc/18/01/72/536180172.db2.gz VBPDECJCQVLOEJ-HRCADAONSA-N 2 1 244.382 2.418 20 0 BEADMP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](C)C2)C1 ZINC000252682946 536375597 /nfs/dbraw/zinc/37/55/97/536375597.db2.gz CXZRGFALEOHGSN-YNEHKIRRSA-N 2 1 210.365 2.106 20 0 BEADMP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCC[C@H](C)C2)C1 ZINC000252682946 536375598 /nfs/dbraw/zinc/37/55/98/536375598.db2.gz CXZRGFALEOHGSN-YNEHKIRRSA-N 2 1 210.365 2.106 20 0 BEADMP C[NH+]1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000301248538 536424953 /nfs/dbraw/zinc/42/49/53/536424953.db2.gz INSMVZBYEGIFAJ-UHFFFAOYSA-N 2 1 245.301 2.126 20 0 BEADMP COCCC[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000178476694 536655997 /nfs/dbraw/zinc/65/59/97/536655997.db2.gz GQBGLTYJMIVWSV-GFCCVEGCSA-N 2 1 240.391 2.018 20 0 BEADMP C([NH2+][C@H]1CC[C@H]1C1CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000348072191 566261481 /nfs/dbraw/zinc/26/14/81/566261481.db2.gz ABIZOJKEJDVDJJ-CQDKDKBSSA-N 2 1 234.387 2.249 20 0 BEADMP CCc1ccccc1C[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000159724687 566318554 /nfs/dbraw/zinc/31/85/54/566318554.db2.gz SCNCPAVKNVTSEA-HNNXBMFYSA-N 2 1 232.371 2.418 20 0 BEADMP CCc1ccccc1C[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000159724687 566318558 /nfs/dbraw/zinc/31/85/58/566318558.db2.gz SCNCPAVKNVTSEA-HNNXBMFYSA-N 2 1 232.371 2.418 20 0 BEADMP C[C@H](CC[N@H+]1CC[C@@H](C)C1)[NH+]1CC[C@@H](C)C1 ZINC000431606916 566366279 /nfs/dbraw/zinc/36/62/79/566366279.db2.gz VQTQYAIBAKWKHT-MGPQQGTHSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@H](CC[NH+]1CC[C@@H](C)C1)[N@@H+]1CC[C@@H](C)C1 ZINC000431606916 566366284 /nfs/dbraw/zinc/36/62/84/566366284.db2.gz VQTQYAIBAKWKHT-MGPQQGTHSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@H](CC[NH+]1CC[C@@H](C)C1)[N@H+]1CC[C@@H](C)C1 ZINC000431606916 566366291 /nfs/dbraw/zinc/36/62/91/566366291.db2.gz VQTQYAIBAKWKHT-MGPQQGTHSA-N 2 1 224.392 2.449 20 0 BEADMP Cc1cc([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1N ZINC000853248050 588728847 /nfs/dbraw/zinc/72/88/47/588728847.db2.gz KOYQUZYHEQIOCA-SGMGOOAPSA-N 2 1 245.370 2.377 20 0 BEADMP CC(C)C(N)=[NH+]OC[C@H]1CCCC[N@@H+]1C(C)C ZINC000853684944 588755984 /nfs/dbraw/zinc/75/59/84/588755984.db2.gz NCEQJLVDKFTTLL-GFCCVEGCSA-N 2 1 241.379 2.404 20 0 BEADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000854227412 588780814 /nfs/dbraw/zinc/78/08/14/588780814.db2.gz OIFBMNZRKBMDOK-DSSZZKGTSA-N 2 1 242.366 2.324 20 0 BEADMP C[C@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)CC1 ZINC000891820864 582726826 /nfs/dbraw/zinc/72/68/26/582726826.db2.gz CEJJCORMFZRZRM-ZDUSSCGKSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@@H]1[C@@H](C)CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000891860927 582730733 /nfs/dbraw/zinc/73/07/33/582730733.db2.gz DUIDBGMWSPUHQF-QWHCGFSZSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@H]1C[C@H](C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000892068938 582784276 /nfs/dbraw/zinc/78/42/76/582784276.db2.gz WPFSVMAEUONXSZ-JSGCOSHPSA-N 2 1 224.392 2.449 20 0 BEADMP CC[N@@H+](CC1CC[NH+](C)CC1)C1CCC1 ZINC000892086902 582788401 /nfs/dbraw/zinc/78/84/01/582788401.db2.gz WNWYOJHDQQGIHD-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP C[N@@H+](CCCCCCC[NH3+])CC1CCOCC1 ZINC000104201290 582792685 /nfs/dbraw/zinc/79/26/85/582792685.db2.gz HENQMFHGPHWBMR-UHFFFAOYSA-N 2 1 242.407 2.254 20 0 BEADMP CC(C)CCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000894084737 583295902 /nfs/dbraw/zinc/29/59/02/583295902.db2.gz VHIHBXIFVCWVPO-OKILXGFUSA-N 2 1 224.392 2.306 20 0 BEADMP CC(C)(CC[N@H+]1CC[C@@H](C[NH3+])C1)C1CC1 ZINC000328546365 583415015 /nfs/dbraw/zinc/41/50/15/583415015.db2.gz NRJILYPQDYKFNW-NSHDSACASA-N 2 1 210.365 2.093 20 0 BEADMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCC1(F)F ZINC000894533320 583479037 /nfs/dbraw/zinc/47/90/37/583479037.db2.gz FWDVYXLZZKVMOR-NSHDSACASA-N 2 1 246.345 2.305 20 0 BEADMP C(=C\c1ccccc1)\CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000323665569 583532390 /nfs/dbraw/zinc/53/23/90/583532390.db2.gz DMKRXWINOLZRMX-KQLXTKLJSA-N 2 1 242.366 2.241 20 0 BEADMP C[N@@H+](CC1CC[NH+](C)CC1)C1CC(C)(C)C1 ZINC000894861075 583534215 /nfs/dbraw/zinc/53/42/15/583534215.db2.gz OTIZZIIWFJBDFA-UHFFFAOYSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@H]1CC(C)(C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000894924956 583556689 /nfs/dbraw/zinc/55/66/89/583556689.db2.gz FDZVCKRUMDRZFJ-LBPRGKRZSA-N 2 1 224.392 2.449 20 0 BEADMP CC[N@@H+](CCSC)CC1CC[NH+](C)CC1 ZINC000895123798 583596759 /nfs/dbraw/zinc/59/67/59/583596759.db2.gz ILCRJAREVADYMV-UHFFFAOYSA-N 2 1 230.421 2.013 20 0 BEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883429737 583808491 /nfs/dbraw/zinc/80/84/91/583808491.db2.gz CPOCJVUHIWFPHC-NWDGAFQWSA-N 2 1 240.391 2.051 20 0 BEADMP Cc1ncccc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000898251638 584100398 /nfs/dbraw/zinc/10/03/98/584100398.db2.gz GPYPNBCTTCQVPS-IUODEOHRSA-N 2 1 247.386 2.005 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CC=CC[C@H]2C)CC1 ZINC000898224453 584102532 /nfs/dbraw/zinc/10/25/32/584102532.db2.gz XXCSJVPIDCLUJC-TZMCWYRMSA-N 2 1 222.376 2.415 20 0 BEADMP COCC(C)(C)C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC000898308170 584109435 /nfs/dbraw/zinc/10/94/35/584109435.db2.gz QSAAPCKYGXLMKL-UHFFFAOYSA-N 2 1 244.423 2.179 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@@H+](C)CC1(C)CC1 ZINC000898308082 584109728 /nfs/dbraw/zinc/10/97/28/584109728.db2.gz NGFDNFGENRLQQT-UHFFFAOYSA-N 2 1 212.381 2.306 20 0 BEADMP CCC[C@@H](C[N@@H+](C)CC(C)(C)C[NH+](C)C)OC ZINC000898308251 584109864 /nfs/dbraw/zinc/10/98/64/584109864.db2.gz VBGXHUWMNAYODY-ZDUSSCGKSA-N 2 1 244.423 2.321 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC000898307734 584109902 /nfs/dbraw/zinc/10/99/02/584109902.db2.gz GHZFSZFXTLSHEB-VXGBXAGGSA-N 2 1 212.381 2.162 20 0 BEADMP CCC[C@H](C[N@@H+](C)CC(C)(C)C[NH+](C)C)OC ZINC000898308250 584110008 /nfs/dbraw/zinc/11/00/08/584110008.db2.gz VBGXHUWMNAYODY-CYBMUJFWSA-N 2 1 244.423 2.321 20 0 BEADMP Cc1cc(NCc2cncn2C(C)C)nc(C)[nH+]1 ZINC000902169544 584534182 /nfs/dbraw/zinc/53/41/82/584534182.db2.gz FDFDZXHXMMPCAY-UHFFFAOYSA-N 2 1 245.330 2.483 20 0 BEADMP Cc1cccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)n1 ZINC000902320682 584552418 /nfs/dbraw/zinc/55/24/18/584552418.db2.gz RCHLZLXJBJXGMJ-CYBMUJFWSA-N 2 1 247.386 2.258 20 0 BEADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccoc2)C1 ZINC000902364302 584573456 /nfs/dbraw/zinc/57/34/56/584573456.db2.gz RGVXFSUIEAQNMT-LBPRGKRZSA-N 2 1 222.332 2.147 20 0 BEADMP CC[C@H]([NH2+]CC1([NH3+])CC1)c1cccc(F)c1 ZINC000902407794 584574800 /nfs/dbraw/zinc/57/48/00/584574800.db2.gz VAIQEQSDVBIPAX-LBPRGKRZSA-N 2 1 222.307 2.358 20 0 BEADMP Cc1ccoc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902388215 584579918 /nfs/dbraw/zinc/57/99/18/584579918.db2.gz NQHNESSLZSUGCU-GFCCVEGCSA-N 2 1 236.359 2.456 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CC2([NH3+])CC2)c2ccccc21 ZINC000902404188 584589100 /nfs/dbraw/zinc/58/91/00/584589100.db2.gz CPQDXGUAQGMDNQ-GXFFZTMASA-N 2 1 216.328 2.316 20 0 BEADMP Cc1ccccc1C[C@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902415309 584589375 /nfs/dbraw/zinc/58/93/75/584589375.db2.gz DEMKFIJHRUXLJL-LBPRGKRZSA-N 2 1 218.344 2.007 20 0 BEADMP Cc1ccc(C)c([C@H](C)[NH2+]CC2([NH3+])CC2)c1 ZINC000902415458 584589940 /nfs/dbraw/zinc/58/99/40/584589940.db2.gz OMNKKIYHQWICKY-LBPRGKRZSA-N 2 1 218.344 2.445 20 0 BEADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC1([NH3+])CC1 ZINC000902416272 584590568 /nfs/dbraw/zinc/59/05/68/584590568.db2.gz MLUMKHRMPTWXLJ-MNOVXSKESA-N 2 1 210.365 2.282 20 0 BEADMP CCc1ccc([C@@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902416119 584590608 /nfs/dbraw/zinc/59/06/08/584590608.db2.gz SDUGLZIURSCQPS-LLVKDONJSA-N 2 1 218.344 2.391 20 0 BEADMP Cc1ccc(CC[C@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902417550 584591333 /nfs/dbraw/zinc/59/13/33/584591333.db2.gz SQQCRVZHPWPUIV-ZDUSSCGKSA-N 2 1 232.371 2.397 20 0 BEADMP Cc1cccc2c1CC[C@H]2[NH2+]CC1([NH3+])CC1 ZINC000902418214 584591557 /nfs/dbraw/zinc/59/15/57/584591557.db2.gz WPUOYDVCXCZQJC-CYBMUJFWSA-N 2 1 216.328 2.063 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)C1CC1 ZINC000902432194 584595650 /nfs/dbraw/zinc/59/56/50/584595650.db2.gz OGXITIPAILNLEG-CMPLNLGQSA-N 2 1 210.365 2.010 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902443034 584598593 /nfs/dbraw/zinc/59/85/93/584598593.db2.gz CDFJOUOJBQQXHB-JVGWCMFKSA-N 2 1 240.416 2.001 20 0 BEADMP C[C@@H](CCc1ccco1)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902444353 584598882 /nfs/dbraw/zinc/59/88/82/584598882.db2.gz HCJZIBXUVKVOLH-WCQYABFASA-N 2 1 236.359 2.188 20 0 BEADMP CCCC[C@@H]1CCC[C@H]1[NH2+]CC1([NH3+])CC1 ZINC000902414734 584600632 /nfs/dbraw/zinc/60/06/32/584600632.db2.gz ZWOITHJQOWGZHB-VXGBXAGGSA-N 2 1 210.365 2.426 20 0 BEADMP C[C@H](Cc1ccsc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473949 584602233 /nfs/dbraw/zinc/60/22/33/584602233.db2.gz AVMBYMXPPZRMDJ-FOUMNBMASA-N 2 1 236.384 2.162 20 0 BEADMP Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902474182 584602279 /nfs/dbraw/zinc/60/22/79/584602279.db2.gz DDDNIQGDZHASSN-DMRZNYOFSA-N 2 1 244.382 2.409 20 0 BEADMP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902476162 584602629 /nfs/dbraw/zinc/60/26/29/584602629.db2.gz MQGIKZVQXKDFLT-WISYIIOYSA-N 2 1 242.432 2.389 20 0 BEADMP C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902448765 584605921 /nfs/dbraw/zinc/60/59/21/584605921.db2.gz IWIDSZTUARJVOM-WDEREUQCSA-N 2 1 244.448 2.494 20 0 BEADMP C[C@H](CSC(C)(C)C)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902448763 584605925 /nfs/dbraw/zinc/60/59/25/584605925.db2.gz IWIDSZTUARJVOM-MNOVXSKESA-N 2 1 244.448 2.494 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H]21)c1c[nH+]ccc1N ZINC000902454371 584608602 /nfs/dbraw/zinc/60/86/02/584608602.db2.gz HGPFAQCHXQPEJQ-BBGACYKPSA-N 2 1 231.343 2.333 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CCCC(C)(C)O1 ZINC000902462320 584612088 /nfs/dbraw/zinc/61/20/88/584612088.db2.gz ULDRXDRKECCPMK-YNEHKIRRSA-N 2 1 240.391 2.064 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CCCC(C)(C)O1 ZINC000902462318 584612386 /nfs/dbraw/zinc/61/23/86/584612386.db2.gz ULDRXDRKECCPMK-RWMBFGLXSA-N 2 1 240.391 2.064 20 0 BEADMP C[C@H](Cc1ccsc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902464253 584612795 /nfs/dbraw/zinc/61/27/95/584612795.db2.gz AVMBYMXPPZRMDJ-GWNIPJSYSA-N 2 1 236.384 2.162 20 0 BEADMP C[C@H](Cc1cccs1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902466084 584614024 /nfs/dbraw/zinc/61/40/24/584614024.db2.gz JXZMLMMMWLJCDX-LYIQGSDWSA-N 2 1 236.384 2.162 20 0 BEADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902465967 584614303 /nfs/dbraw/zinc/61/43/03/584614303.db2.gz HZGHXAONNDTSGR-AQNFWKISSA-N 2 1 248.345 2.239 20 0 BEADMP COC[C@H](CC(C)C)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902481813 584624105 /nfs/dbraw/zinc/62/41/05/584624105.db2.gz HHSTVEZBOGITNZ-KGLIPLIRSA-N 2 1 242.407 2.169 20 0 BEADMP CCNc1ccccc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000902572410 584637012 /nfs/dbraw/zinc/63/70/12/584637012.db2.gz SYILZBZCOJYTEQ-ZDUSSCGKSA-N 2 1 249.402 2.406 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](F)C1 ZINC000902996502 584714255 /nfs/dbraw/zinc/71/42/55/584714255.db2.gz STOBKFUHMDSMCF-CYBMUJFWSA-N 2 1 239.338 2.406 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](F)C1 ZINC000902996502 584714256 /nfs/dbraw/zinc/71/42/56/584714256.db2.gz STOBKFUHMDSMCF-CYBMUJFWSA-N 2 1 239.338 2.406 20 0 BEADMP CSCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903058765 584722983 /nfs/dbraw/zinc/72/29/83/584722983.db2.gz SUCATJQQRAICHO-VGPLMAKISA-N 2 1 240.416 2.097 20 0 BEADMP C/C=C\C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903206142 584736650 /nfs/dbraw/zinc/73/66/50/584736650.db2.gz HQCJFERODGNZHV-NYZQYHEQSA-N 2 1 220.360 2.310 20 0 BEADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000903254042 584739415 /nfs/dbraw/zinc/73/94/15/584739415.db2.gz PBKHMKHMBYPXPS-XHJNMGKDSA-N 2 1 236.403 2.493 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)[C@H](C)C1 ZINC000903255666 584739965 /nfs/dbraw/zinc/73/99/65/584739965.db2.gz YSZZSTBPMUCYSR-PLJUSGQGSA-N 2 1 236.403 2.351 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cnc2ccccc2c1 ZINC000841076641 584749386 /nfs/dbraw/zinc/74/93/86/584749386.db2.gz KOUZTPWDRASTHO-QWRGUYRKSA-N 2 1 229.327 2.060 20 0 BEADMP COC(C)(C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000903330424 584753849 /nfs/dbraw/zinc/75/38/49/584753849.db2.gz JZYHAKHGSSAZBV-NEPJUHHUSA-N 2 1 242.407 2.262 20 0 BEADMP C[C@@H](C1CC1)[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000903431059 584761766 /nfs/dbraw/zinc/76/17/66/584761766.db2.gz KYQNNFWPUZEMLD-LOWVWBTDSA-N 2 1 222.376 2.377 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903460838 584766556 /nfs/dbraw/zinc/76/65/56/584766556.db2.gz JRHZYIGKZXBHQC-BXUZGUMPSA-N 2 1 243.354 2.480 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903460839 584766746 /nfs/dbraw/zinc/76/67/46/584766746.db2.gz JRHZYIGKZXBHQC-FZMZJTMJSA-N 2 1 243.354 2.480 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000903442207 584767265 /nfs/dbraw/zinc/76/72/65/584767265.db2.gz KIWWNHANWCGOHU-VNHYZAJKSA-N 2 1 245.370 2.074 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C/C=C/Cl)[C@@H]2CCC[C@H]21 ZINC000903443514 584768633 /nfs/dbraw/zinc/76/86/33/584768633.db2.gz HSZBAFZEITXKRQ-CDOOCROKSA-N 2 1 228.767 2.201 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C/C=C/Cl)[C@@H]2CCC[C@@H]21 ZINC000903443517 584768652 /nfs/dbraw/zinc/76/86/52/584768652.db2.gz HSZBAFZEITXKRQ-ZILVEVEJSA-N 2 1 228.767 2.201 20 0 BEADMP C[N@H+](Cc1ccc2cc[nH]c2c1)C1(C[NH3+])CCC1 ZINC000903453540 584772516 /nfs/dbraw/zinc/77/25/16/584772516.db2.gz AUYRVALLAZCVPQ-UHFFFAOYSA-N 2 1 243.354 2.481 20 0 BEADMP C[N@@H+](Cc1ccc2cc[nH]c2c1)C1(C[NH3+])CCC1 ZINC000903453540 584772518 /nfs/dbraw/zinc/77/25/18/584772518.db2.gz AUYRVALLAZCVPQ-UHFFFAOYSA-N 2 1 243.354 2.481 20 0 BEADMP CC(F)(F)CCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000903464633 584772590 /nfs/dbraw/zinc/77/25/90/584772590.db2.gz UODLSJYIXPPXGS-JQWIXIFHSA-N 2 1 232.318 2.235 20 0 BEADMP CC(F)(F)CCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000903464633 584772591 /nfs/dbraw/zinc/77/25/91/584772591.db2.gz UODLSJYIXPPXGS-JQWIXIFHSA-N 2 1 232.318 2.235 20 0 BEADMP CC(F)(F)CCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000903454149 584773626 /nfs/dbraw/zinc/77/36/26/584773626.db2.gz VXOWCXFFFGGPGW-ZDUSSCGKSA-N 2 1 246.345 2.497 20 0 BEADMP c1ccc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000903466712 584780091 /nfs/dbraw/zinc/78/00/91/584780091.db2.gz ZKUNLTVQRAWHQO-AWEZNQCLSA-N 2 1 230.355 2.103 20 0 BEADMP Cc1ccc(CC[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903497236 584781158 /nfs/dbraw/zinc/78/11/58/584781158.db2.gz QVTNRRFIVPWLNH-GDBMZVCRSA-N 2 1 246.398 2.454 20 0 BEADMP Cc1ccc(CC[N@@H+]2C[C@@H](N)C(C)(C)C2)cc1 ZINC000903556155 584782838 /nfs/dbraw/zinc/78/28/38/584782838.db2.gz OTEVQEIDDQQSPB-CQSZACIVSA-N 2 1 232.371 2.207 20 0 BEADMP Cc1ccc(CC[N@H+]2C[C@@H](N)C(C)(C)C2)cc1 ZINC000903556155 584782839 /nfs/dbraw/zinc/78/28/39/584782839.db2.gz OTEVQEIDDQQSPB-CQSZACIVSA-N 2 1 232.371 2.207 20 0 BEADMP CC(C)C[N@H+](Cc1ccccn1)C[C@H]1CC[NH2+]C1 ZINC000903575200 584783928 /nfs/dbraw/zinc/78/39/28/584783928.db2.gz HOMJRHJJJJOSDB-AWEZNQCLSA-N 2 1 247.386 2.149 20 0 BEADMP CC1CC(C[N@@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000903713583 584793781 /nfs/dbraw/zinc/79/37/81/584793781.db2.gz WTNBEPFARSLJDN-UHFFFAOYSA-N 2 1 222.376 2.249 20 0 BEADMP C[NH2+]C1CC[NH+](Cc2ccccc2CF)CC1 ZINC000903716053 584794363 /nfs/dbraw/zinc/79/43/63/584794363.db2.gz GWTFYAZLNFWYAK-UHFFFAOYSA-N 2 1 236.334 2.340 20 0 BEADMP CC1CC(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000903748903 584794831 /nfs/dbraw/zinc/79/48/31/584794831.db2.gz CUUQQBJNKKENCY-CVSAEHQPSA-N 2 1 236.403 2.354 20 0 BEADMP CC1CC(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000903748904 584795104 /nfs/dbraw/zinc/79/51/04/584795104.db2.gz CUUQQBJNKKENCY-NEXFUWMNSA-N 2 1 236.403 2.354 20 0 BEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccccc2CF)C1 ZINC000903747775 584795135 /nfs/dbraw/zinc/79/51/35/584795135.db2.gz XCICJNHBTORXON-CQSZACIVSA-N 2 1 236.334 2.327 20 0 BEADMP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2ccno2)CCC1 ZINC000903815640 584801159 /nfs/dbraw/zinc/80/11/59/584801159.db2.gz SHVIHIRGABPXHY-ZDUSSCGKSA-N 2 1 249.358 2.158 20 0 BEADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2ccno2)CCC1 ZINC000903815640 584801160 /nfs/dbraw/zinc/80/11/60/584801160.db2.gz SHVIHIRGABPXHY-ZDUSSCGKSA-N 2 1 249.358 2.158 20 0 BEADMP CCC[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903811888 584803544 /nfs/dbraw/zinc/80/35/44/584803544.db2.gz POVGHXXFYYYSSV-GFCCVEGCSA-N 2 1 210.365 2.380 20 0 BEADMP C[C@]12C[N@@H+](C[C@H]3CCC[NH2+]3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903825648 584804613 /nfs/dbraw/zinc/80/46/13/584804613.db2.gz BZWFVIGNWJPBBY-VYDRJRHOSA-N 2 1 234.387 2.106 20 0 BEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCc1cccs1)C2 ZINC000903843243 584807584 /nfs/dbraw/zinc/80/75/84/584807584.db2.gz GNNGGQSOCBFYNW-SRVKXCTJSA-N 2 1 236.384 2.102 20 0 BEADMP Cc1ccc(CC[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903855090 584809257 /nfs/dbraw/zinc/80/92/57/584809257.db2.gz LIFGVQFIMJWEGT-HOTGVXAUSA-N 2 1 244.382 2.351 20 0 BEADMP Cc1ccc(CC[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903855090 584809259 /nfs/dbraw/zinc/80/92/59/584809259.db2.gz LIFGVQFIMJWEGT-HOTGVXAUSA-N 2 1 244.382 2.351 20 0 BEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCc1ccccc1 ZINC000903859041 584810930 /nfs/dbraw/zinc/81/09/30/584810930.db2.gz ZAUBUBLPLPLYJI-GJZGRUSLSA-N 2 1 230.355 2.042 20 0 BEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCc1ccccc1 ZINC000903859041 584810932 /nfs/dbraw/zinc/81/09/32/584810932.db2.gz ZAUBUBLPLPLYJI-GJZGRUSLSA-N 2 1 230.355 2.042 20 0 BEADMP Cc1ccccc1C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903859090 584811092 /nfs/dbraw/zinc/81/10/92/584811092.db2.gz ZUKDXSMFRUADLG-HUUCEWRRSA-N 2 1 230.355 2.308 20 0 BEADMP Cc1ccccc1C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903859090 584811093 /nfs/dbraw/zinc/81/10/93/584811093.db2.gz ZUKDXSMFRUADLG-HUUCEWRRSA-N 2 1 230.355 2.308 20 0 BEADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903872280 584815635 /nfs/dbraw/zinc/81/56/35/584815635.db2.gz YGSBZOAJFBGTFW-KGLIPLIRSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903884352 584818686 /nfs/dbraw/zinc/81/86/86/584818686.db2.gz XPYZIXCMBUVSPC-YHWZYXNKSA-N 2 1 222.376 2.390 20 0 BEADMP CC(C)([NH3+])CC[NH2+]Cc1cc(F)c(F)cc1F ZINC000903939371 584823749 /nfs/dbraw/zinc/82/37/49/584823749.db2.gz YHQBEFMCSZAIAD-UHFFFAOYSA-N 2 1 246.276 2.321 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc2ccccc2o1 ZINC000903965106 584834439 /nfs/dbraw/zinc/83/44/39/584834439.db2.gz VIBYQXHTEIEBDV-YPMHNXCESA-N 2 1 244.338 2.378 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1sccc1Cl ZINC000903968712 584835116 /nfs/dbraw/zinc/83/51/16/584835116.db2.gz ZZFLXMDROIJWJF-BDAKNGLRSA-N 2 1 244.791 2.347 20 0 BEADMP CC(C)(/C=C\Cl)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903987636 584836025 /nfs/dbraw/zinc/83/60/25/584836025.db2.gz ICQLYINYBVOBJF-AVALRIAPSA-N 2 1 226.698 2.090 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]2Cc2ccccc2)C1 ZINC000904307929 584862693 /nfs/dbraw/zinc/86/26/93/584862693.db2.gz YZUUQFLOLUVSEI-XHSDSOJGSA-N 2 1 244.382 2.431 20 0 BEADMP C[C@H]1CC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904313458 584863602 /nfs/dbraw/zinc/86/36/02/584863602.db2.gz UOGBKINGXFAPAY-RYUDHWBXSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@H]1CC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904313458 584863603 /nfs/dbraw/zinc/86/36/03/584863603.db2.gz UOGBKINGXFAPAY-RYUDHWBXSA-N 2 1 212.381 2.482 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCc3sccc3C2)C1 ZINC000904318082 584863880 /nfs/dbraw/zinc/86/38/80/584863880.db2.gz LHIGQKXSRWPFFK-KLPPZKSPSA-N 2 1 236.384 2.234 20 0 BEADMP C[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC(C)(C)C1 ZINC000904341847 584867534 /nfs/dbraw/zinc/86/75/34/584867534.db2.gz XJFXFOQVFDQZJN-UTUOFQBUSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904341785 584867566 /nfs/dbraw/zinc/86/75/66/584867566.db2.gz VXVXBZCPKMRNAY-UXOAXIEHSA-N 2 1 245.370 2.202 20 0 BEADMP Cc1cc(C)cc(C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904346610 584868505 /nfs/dbraw/zinc/86/85/05/584868505.db2.gz WHDOERUFKQFSIV-GASCZTMLSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1cc(C)c2c(c1)C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)CC2 ZINC000904348558 584868524 /nfs/dbraw/zinc/86/85/24/584868524.db2.gz RVCYJWOBGAYBOJ-OTVXOJSOSA-N 2 1 244.382 2.399 20 0 BEADMP CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC(C)(C)C1 ZINC000904373519 584873776 /nfs/dbraw/zinc/87/37/76/584873776.db2.gz SEABTWCJHMXDCR-PHIMTYICSA-N 2 1 210.365 2.234 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[NH+]2Cc3cc(F)c(F)cc3C2)C1 ZINC000904376271 584876110 /nfs/dbraw/zinc/87/61/10/584876110.db2.gz NURUCGBENWQYDB-DKTWLAJQSA-N 2 1 238.281 2.018 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@@H+](CCC2CC2)CC2CC2)C1 ZINC000904379970 584876745 /nfs/dbraw/zinc/87/67/45/584876745.db2.gz YQTLTPQOXMDISO-OKILXGFUSA-N 2 1 222.376 2.236 20 0 BEADMP C/C=C/C[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904381649 584877497 /nfs/dbraw/zinc/87/74/97/584877497.db2.gz QRVGJGHZWPZDOR-KAAMAIQLSA-N 2 1 222.376 2.402 20 0 BEADMP C[C@H]1C[N@@H+](CC2(C)CCC2)CC[C@@H]1C[NH3+] ZINC000904409385 584879376 /nfs/dbraw/zinc/87/93/76/584879376.db2.gz ASWKSAOBKIMVPI-NWDGAFQWSA-N 2 1 210.365 2.093 20 0 BEADMP COc1ccccc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904411859 584879700 /nfs/dbraw/zinc/87/97/00/584879700.db2.gz OLYMYHISTWAKOF-STQMWFEESA-N 2 1 248.370 2.112 20 0 BEADMP COc1c(C)cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1C ZINC000841082177 584882880 /nfs/dbraw/zinc/88/28/80/584882880.db2.gz WPRVCXHSYXAKPM-VXGBXAGGSA-N 2 1 236.359 2.137 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+]CC2(C)CCC2)C1 ZINC000234339953 584929194 /nfs/dbraw/zinc/92/91/94/584929194.db2.gz YGSRHMSNRNWKAO-GFCCVEGCSA-N 2 1 210.365 2.108 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000767588171 585522968 /nfs/dbraw/zinc/52/29/68/585522968.db2.gz LNONGDLGEDABNI-OLZOCXBDSA-N 2 1 219.332 2.066 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000767588171 585522969 /nfs/dbraw/zinc/52/29/69/585522969.db2.gz LNONGDLGEDABNI-OLZOCXBDSA-N 2 1 219.332 2.066 20 0 BEADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCC=CO2)CC1 ZINC000774828367 585666756 /nfs/dbraw/zinc/66/67/56/585666756.db2.gz YXPINDGQCHQMNK-AWEZNQCLSA-N 2 1 238.375 2.095 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCC=CO2)CC1 ZINC000774828367 585666757 /nfs/dbraw/zinc/66/67/57/585666757.db2.gz YXPINDGQCHQMNK-AWEZNQCLSA-N 2 1 238.375 2.095 20 0 BEADMP CC(C)[C@@H]([NH2+]CCC[NH+](C)C)c1ccccn1 ZINC000775446827 585678173 /nfs/dbraw/zinc/67/81/73/585678173.db2.gz SJPLTWDMNYEUBA-CQSZACIVSA-N 2 1 235.375 2.320 20 0 BEADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C2CC2)C1 ZINC000782185546 585810179 /nfs/dbraw/zinc/81/01/79/585810179.db2.gz HGSNFLPSTGCFKQ-QWHCGFSZSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C2CC2)C1 ZINC000782185546 585810180 /nfs/dbraw/zinc/81/01/80/585810180.db2.gz HGSNFLPSTGCFKQ-QWHCGFSZSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C2CC2)C1 ZINC000782185546 585810181 /nfs/dbraw/zinc/81/01/81/585810181.db2.gz HGSNFLPSTGCFKQ-QWHCGFSZSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782185117 585811049 /nfs/dbraw/zinc/81/10/49/585811049.db2.gz WXJVZLFSHZAKJY-LBPRGKRZSA-N 2 1 212.381 2.449 20 0 BEADMP CC(C)C(=O)CC[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000808733298 586485516 /nfs/dbraw/zinc/48/55/16/586485516.db2.gz PFZVRHKXVMBRGU-OLZOCXBDSA-N 2 1 240.391 2.016 20 0 BEADMP CC(C)C(=O)CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000808754435 586487916 /nfs/dbraw/zinc/48/79/16/586487916.db2.gz LSKKCJBPVASXBE-ZDUSSCGKSA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)C(=O)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000808754435 586487917 /nfs/dbraw/zinc/48/79/17/586487917.db2.gz LSKKCJBPVASXBE-ZDUSSCGKSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(C)o1 ZINC000814178434 586615898 /nfs/dbraw/zinc/61/58/98/586615898.db2.gz PSDGLFAHDQSWKB-HNNXBMFYSA-N 2 1 248.370 2.424 20 0 BEADMP Cc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(C)o1 ZINC000814178434 586615899 /nfs/dbraw/zinc/61/58/99/586615899.db2.gz PSDGLFAHDQSWKB-HNNXBMFYSA-N 2 1 248.370 2.424 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(C)o1 ZINC000814178434 586615900 /nfs/dbraw/zinc/61/59/00/586615900.db2.gz PSDGLFAHDQSWKB-HNNXBMFYSA-N 2 1 248.370 2.424 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(C)o1 ZINC000814178434 586615901 /nfs/dbraw/zinc/61/59/01/586615901.db2.gz PSDGLFAHDQSWKB-HNNXBMFYSA-N 2 1 248.370 2.424 20 0 BEADMP CC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000815145978 586670572 /nfs/dbraw/zinc/67/05/72/586670572.db2.gz JQYNLQZIKSDWAC-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP CC(C)Oc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000817890483 586832130 /nfs/dbraw/zinc/83/21/30/586832130.db2.gz YOCDBMYACGGPKW-LSDHHAIUSA-N 2 1 248.370 2.443 20 0 BEADMP CSC(C)(C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000817897875 586835082 /nfs/dbraw/zinc/83/50/82/586835082.db2.gz AOIGKXJDVSDJQR-SECBINFHSA-N 2 1 239.388 2.286 20 0 BEADMP CCC(CC)(C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)SC ZINC000817900545 586836121 /nfs/dbraw/zinc/83/61/21/586836121.db2.gz PTIJLJWLEVHQFO-NWDGAFQWSA-N 2 1 244.448 2.496 20 0 BEADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000817943654 586846208 /nfs/dbraw/zinc/84/62/08/586846208.db2.gz QKNYHTYKUFKKPK-SNVBAGLBSA-N 2 1 241.766 2.385 20 0 BEADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000817950694 586847522 /nfs/dbraw/zinc/84/75/22/586847522.db2.gz XGBYMRYTYFGEFG-FRRDWIJNSA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000817950691 586847685 /nfs/dbraw/zinc/84/76/85/586847685.db2.gz XGBYMRYTYFGEFG-AGIUHOORSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@H](CSC(C)(C)C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000817951661 586847926 /nfs/dbraw/zinc/84/79/26/586847926.db2.gz JBSIXHJOFIFLIV-GHMZBOCLSA-N 2 1 230.421 2.248 20 0 BEADMP C[C@@H](CSC(C)(C)C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000817959564 586851272 /nfs/dbraw/zinc/85/12/72/586851272.db2.gz GZZUJWJXEFIZLN-GXSJLCMTSA-N 2 1 230.421 2.234 20 0 BEADMP CCC[NH2+]CC[NH2+][C@H](C)CSC(C)(C)C ZINC000817963979 586853829 /nfs/dbraw/zinc/85/38/29/586853829.db2.gz ZTMIWSYKWJZFFZ-LLVKDONJSA-N 2 1 232.437 2.496 20 0 BEADMP CCOc1cccc([C@H](C)[NH2+]C[C@H](C)[NH3+])c1 ZINC000817972165 586859046 /nfs/dbraw/zinc/85/90/46/586859046.db2.gz UQKZXDFZBOSAMF-QWRGUYRKSA-N 2 1 222.332 2.083 20 0 BEADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000817977452 586861486 /nfs/dbraw/zinc/86/14/86/586861486.db2.gz KLQIUCFDJYZBMP-VWYCJHECSA-N 2 1 234.343 2.008 20 0 BEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000817977451 586862046 /nfs/dbraw/zinc/86/20/46/586862046.db2.gz KLQIUCFDJYZBMP-MXWKQRLJSA-N 2 1 234.343 2.008 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CSC[C@@H]2C)C1 ZINC000823736912 587238606 /nfs/dbraw/zinc/23/86/06/587238606.db2.gz OPBQWUZRPJEWLH-XQQFMLRXSA-N 2 1 242.432 2.059 20 0 BEADMP CC[C@H]1C[C@@H]([NH2+]CC[N@H+](CC)C(C)C)CCO1 ZINC000823756864 587239813 /nfs/dbraw/zinc/23/98/13/587239813.db2.gz DIXNYOBGUOGAEN-KBPBESRZSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@H]1C[C@@H]([NH2+]CC[N@@H+](CC)C(C)C)CCO1 ZINC000823756864 587239814 /nfs/dbraw/zinc/23/98/14/587239814.db2.gz DIXNYOBGUOGAEN-KBPBESRZSA-N 2 1 242.407 2.264 20 0 BEADMP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(C)C ZINC000825184889 587308817 /nfs/dbraw/zinc/30/88/17/587308817.db2.gz BTTNVJFPQDBAKP-HZSPNIEDSA-N 2 1 224.392 2.495 20 0 BEADMP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(C)C ZINC000825184889 587308819 /nfs/dbraw/zinc/30/88/19/587308819.db2.gz BTTNVJFPQDBAKP-HZSPNIEDSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cnc2ccccc2c1 ZINC000841030429 587936663 /nfs/dbraw/zinc/93/66/63/587936663.db2.gz LYGOIIKRJRAXFB-CQSZACIVSA-N 2 1 243.354 2.308 20 0 BEADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccnc2Cl)C1 ZINC000841055779 587940562 /nfs/dbraw/zinc/94/05/62/587940562.db2.gz WFQFCFJEDYPUBY-WDEREUQCSA-N 2 1 239.750 2.095 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000841073509 587943898 /nfs/dbraw/zinc/94/38/98/587943898.db2.gz YCOOHSQLSKRSOR-CYBMUJFWSA-N 2 1 248.370 2.227 20 0 BEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCc1ccccc1F ZINC000841085374 587945403 /nfs/dbraw/zinc/94/54/03/587945403.db2.gz ATDVIUDRZIATII-ZDUSSCGKSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)C(C)(C)C ZINC000841105338 587946825 /nfs/dbraw/zinc/94/68/25/587946825.db2.gz KIRODYTYJBEPPE-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cc(C[N@@H+](C)CCCCCCC[NH3+])no1 ZINC000842471782 588028842 /nfs/dbraw/zinc/02/88/42/588028842.db2.gz ZOGCDUNSZLGNTI-UHFFFAOYSA-N 2 1 239.363 2.324 20 0 BEADMP Cc1cc(C[N@H+](C)CCCCCCC[NH3+])no1 ZINC000842471782 588028840 /nfs/dbraw/zinc/02/88/40/588028840.db2.gz ZOGCDUNSZLGNTI-UHFFFAOYSA-N 2 1 239.363 2.324 20 0 BEADMP Cc1cc([C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)no1 ZINC000842471443 588029271 /nfs/dbraw/zinc/02/92/71/588029271.db2.gz BJRKOSCIOVSKER-OCCSQVGLSA-N 2 1 249.358 2.120 20 0 BEADMP COCCCCC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843355444 588102986 /nfs/dbraw/zinc/10/29/86/588102986.db2.gz OZESAKPYTWGTCG-UHFFFAOYSA-N 2 1 228.380 2.005 20 0 BEADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccc(Cl)nc1 ZINC000843355921 588103128 /nfs/dbraw/zinc/10/31/28/588103128.db2.gz MJGPNHAKEZBUNI-LBPRGKRZSA-N 2 1 241.766 2.198 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)Cc2ccccc21 ZINC000843356217 588103290 /nfs/dbraw/zinc/10/32/90/588103290.db2.gz HTVRRHIWVARPAI-CHWSQXEVSA-N 2 1 230.355 2.215 20 0 BEADMP C[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCc2ccccc2C1 ZINC000843358335 588103621 /nfs/dbraw/zinc/10/36/21/588103621.db2.gz KYGNBVCLBFKWFG-XJKSGUPXSA-N 2 1 244.382 2.085 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@@H]1CCC=CO1 ZINC000845996033 588252788 /nfs/dbraw/zinc/25/27/88/588252788.db2.gz JJVZFLAZDWOLPL-AWEZNQCLSA-N 2 1 240.391 2.247 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000846219037 588260743 /nfs/dbraw/zinc/26/07/43/588260743.db2.gz DFPBIWTYDBQHEH-KGLIPLIRSA-N 2 1 240.391 2.006 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc2c(c1)COC2 ZINC000846699875 588283523 /nfs/dbraw/zinc/28/35/23/588283523.db2.gz YBKFBJUEHSMURG-IAQYHMDHSA-N 2 1 246.354 2.028 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc2c(c1)COC2 ZINC000846699878 588283540 /nfs/dbraw/zinc/28/35/40/588283540.db2.gz YBKFBJUEHSMURG-NHYWBVRUSA-N 2 1 246.354 2.028 20 0 BEADMP [NH3+]CCC[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863557766 589298937 /nfs/dbraw/zinc/29/89/37/589298937.db2.gz QYPUDEASDMDTRE-SOUVJXGZSA-N 2 1 230.355 2.071 20 0 BEADMP C[C@H]([NH3+])C[N@@H+](C)CC[C@@H]1CCC[C@H](C)C1 ZINC000863567087 589299700 /nfs/dbraw/zinc/29/97/00/589299700.db2.gz AXNAUSJGABEUBV-AVGNSLFASA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H](N)C[N@@H+](C)C[C@@H]1CCCCC1(C)C ZINC000863567790 589299980 /nfs/dbraw/zinc/29/99/80/589299980.db2.gz GWFIWHGPBBFLRB-NEPJUHHUSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H]([NH3+])CN(C)C[C@@H]1CCCCC1(C)C ZINC000863567790 589299981 /nfs/dbraw/zinc/29/99/81/589299981.db2.gz GWFIWHGPBBFLRB-NEPJUHHUSA-N 2 1 212.381 2.482 20 0 BEADMP Cc1[nH+]cc(-c2ccc(C[NH+](C)C)cc2)n1C ZINC000863973612 589331255 /nfs/dbraw/zinc/33/12/55/589331255.db2.gz FKBCPLWGOODTHG-UHFFFAOYSA-N 2 1 229.327 2.457 20 0 BEADMP CCc1cc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc[nH+]1 ZINC000866206197 589480225 /nfs/dbraw/zinc/48/02/25/589480225.db2.gz BYVAPYLYPSMFKE-SWLSCSKDSA-N 2 1 245.370 2.174 20 0 BEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2F)CC[N@@H+]1C ZINC000866449556 589493768 /nfs/dbraw/zinc/49/37/68/589493768.db2.gz DHMKHQAICNLNSD-ZDEQEGDKSA-N 2 1 228.355 2.339 20 0 BEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2F)CC[N@H+]1C ZINC000866449556 589493769 /nfs/dbraw/zinc/49/37/69/589493769.db2.gz DHMKHQAICNLNSD-ZDEQEGDKSA-N 2 1 228.355 2.339 20 0 BEADMP CCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866583366 589501836 /nfs/dbraw/zinc/50/18/36/589501836.db2.gz KFYMCSRHPGKGIP-XQQFMLRXSA-N 2 1 210.365 2.201 20 0 BEADMP CCC[C@H](C)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866583366 589501838 /nfs/dbraw/zinc/50/18/38/589501838.db2.gz KFYMCSRHPGKGIP-XQQFMLRXSA-N 2 1 210.365 2.201 20 0 BEADMP CCC[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866583366 589501840 /nfs/dbraw/zinc/50/18/40/589501840.db2.gz KFYMCSRHPGKGIP-XQQFMLRXSA-N 2 1 210.365 2.201 20 0 BEADMP CCC[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866583366 589501842 /nfs/dbraw/zinc/50/18/42/589501842.db2.gz KFYMCSRHPGKGIP-XQQFMLRXSA-N 2 1 210.365 2.201 20 0 BEADMP CC(C)C[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866585140 589502206 /nfs/dbraw/zinc/50/22/06/589502206.db2.gz UMEMHDSUFDSGAE-BFHYXJOUSA-N 2 1 224.392 2.447 20 0 BEADMP CC(C)C[C@H](C)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866585140 589502208 /nfs/dbraw/zinc/50/22/08/589502208.db2.gz UMEMHDSUFDSGAE-BFHYXJOUSA-N 2 1 224.392 2.447 20 0 BEADMP CC(C)C[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866585140 589502209 /nfs/dbraw/zinc/50/22/09/589502209.db2.gz UMEMHDSUFDSGAE-BFHYXJOUSA-N 2 1 224.392 2.447 20 0 BEADMP CC(C)C[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866585140 589502211 /nfs/dbraw/zinc/50/22/11/589502211.db2.gz UMEMHDSUFDSGAE-BFHYXJOUSA-N 2 1 224.392 2.447 20 0 BEADMP FC1(F)CC[C@H](C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000866665268 589509439 /nfs/dbraw/zinc/50/94/39/589509439.db2.gz AXTHTEVHFDVYIZ-NWDGAFQWSA-N 2 1 244.329 2.250 20 0 BEADMP FC1(F)CC[C@H](C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000866665268 589509440 /nfs/dbraw/zinc/50/94/40/589509440.db2.gz AXTHTEVHFDVYIZ-NWDGAFQWSA-N 2 1 244.329 2.250 20 0 BEADMP [NH3+]CCC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000866667489 589510335 /nfs/dbraw/zinc/51/03/35/589510335.db2.gz OCKFCRGRJDPOMG-UHFFFAOYSA-N 2 1 249.358 2.113 20 0 BEADMP CC(C)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866704183 589513906 /nfs/dbraw/zinc/51/39/06/589513906.db2.gz RNGXSVWXLVRMTO-ZDUSSCGKSA-N 2 1 212.381 2.339 20 0 BEADMP CC(C)=CCC[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866722692 589515056 /nfs/dbraw/zinc/51/50/56/589515056.db2.gz CDTIXGXGMBXAND-OLZOCXBDSA-N 2 1 208.349 2.169 20 0 BEADMP CC(C)=CCC[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866722692 589515058 /nfs/dbraw/zinc/51/50/58/589515058.db2.gz CDTIXGXGMBXAND-OLZOCXBDSA-N 2 1 208.349 2.169 20 0 BEADMP Cc1cncc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000866720421 589515359 /nfs/dbraw/zinc/51/53/59/589515359.db2.gz KXFDCEHTRCPLMI-ZFWWWQNUSA-N 2 1 245.370 2.136 20 0 BEADMP CC1(C)CC(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC000866725152 589516191 /nfs/dbraw/zinc/51/61/91/589516191.db2.gz RGKAEZDCDNUBHE-CHWSQXEVSA-N 2 1 222.376 2.249 20 0 BEADMP CC1(C)CC(C[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC000866725152 589516193 /nfs/dbraw/zinc/51/61/93/589516193.db2.gz RGKAEZDCDNUBHE-CHWSQXEVSA-N 2 1 222.376 2.249 20 0 BEADMP C(CC1CC1)C[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866725074 589516415 /nfs/dbraw/zinc/51/64/15/589516415.db2.gz QNEKGLNEYCWXJB-CHWSQXEVSA-N 2 1 208.349 2.003 20 0 BEADMP C(CC1CC1)C[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866725074 589516416 /nfs/dbraw/zinc/51/64/16/589516416.db2.gz QNEKGLNEYCWXJB-CHWSQXEVSA-N 2 1 208.349 2.003 20 0 BEADMP CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000123505040 589739169 /nfs/dbraw/zinc/73/91/69/589739169.db2.gz ZGDDDCQJRRNMHG-OLZOCXBDSA-N 2 1 210.365 2.393 20 0 BEADMP CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000123505040 589739170 /nfs/dbraw/zinc/73/91/70/589739170.db2.gz ZGDDDCQJRRNMHG-OLZOCXBDSA-N 2 1 210.365 2.393 20 0 BEADMP CCc1cccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000872154141 589885886 /nfs/dbraw/zinc/88/58/86/589885886.db2.gz OPFLLQKVVMFSBB-JKSUJKDBSA-N 2 1 244.382 2.290 20 0 BEADMP CC(C)([NH3+])C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872257567 589901060 /nfs/dbraw/zinc/90/10/60/589901060.db2.gz TVIQUBNDECWVCI-ZDUSSCGKSA-N 2 1 240.391 2.147 20 0 BEADMP C[C@@H]1CN(c2cc[nH+]cc2C2CC2)C[C@H](C)[N@@H+]1C ZINC000872554026 589949577 /nfs/dbraw/zinc/94/95/77/589949577.db2.gz GLVJPLDKELEAPP-TXEJJXNPSA-N 2 1 245.370 2.488 20 0 BEADMP C[NH2+]C1(CNc2cc(C)[nH+]c(C)n2)CCCCC1 ZINC000872629279 589957551 /nfs/dbraw/zinc/95/75/51/589957551.db2.gz DAAXMOMDSYDCAO-UHFFFAOYSA-N 2 1 248.374 2.428 20 0 BEADMP C([N@H+]1CCCC2(CCCC2)C1)C12CC(C1)C[NH2+]2 ZINC000873208921 589995496 /nfs/dbraw/zinc/99/54/96/589995496.db2.gz YAUXWIMQPGERAH-UHFFFAOYSA-N 2 1 234.387 2.395 20 0 BEADMP Cn1ccc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000873223924 590000536 /nfs/dbraw/zinc/00/05/36/590000536.db2.gz UUWGTQXMCJSUGW-OAHLLOKOSA-N 2 1 249.402 2.222 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)C1CC1 ZINC000873236016 590003817 /nfs/dbraw/zinc/00/38/17/590003817.db2.gz VVGDQBFJZVXLSO-ZYHUDNBSSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cc2cnccc2o1 ZINC000873276356 590017469 /nfs/dbraw/zinc/01/74/69/590017469.db2.gz SNJNVRIIKIGKLD-VHSXEESVSA-N 2 1 245.326 2.086 20 0 BEADMP C[N@@H+]1CC[C@H]2C[NH+](CC3CCCC3)CC[C@H]21 ZINC000877738202 590404601 /nfs/dbraw/zinc/40/46/01/590404601.db2.gz ANAUFFYRWIQXEC-UONOGXRCSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@H+]1CC[C@H]2C[NH+](CC3CCCC3)CC[C@H]21 ZINC000877738202 590404603 /nfs/dbraw/zinc/40/46/03/590404603.db2.gz ANAUFFYRWIQXEC-UONOGXRCSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](CC3CCCC3)CC[C@H]21 ZINC000877738202 590404605 /nfs/dbraw/zinc/40/46/05/590404605.db2.gz ANAUFFYRWIQXEC-UONOGXRCSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](CC3CCCC3)CC[C@H]21 ZINC000877738202 590404607 /nfs/dbraw/zinc/40/46/07/590404607.db2.gz ANAUFFYRWIQXEC-UONOGXRCSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](CC3CCCC3)CC[C@H]21 ZINC000877738204 590404795 /nfs/dbraw/zinc/40/47/95/590404795.db2.gz ANAUFFYRWIQXEC-ZIAGYGMSSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CCCC3)CC[C@H]21 ZINC000877738204 590404797 /nfs/dbraw/zinc/40/47/97/590404797.db2.gz ANAUFFYRWIQXEC-ZIAGYGMSSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CCCC3)CC[C@H]21 ZINC000877738204 590404799 /nfs/dbraw/zinc/40/47/99/590404799.db2.gz ANAUFFYRWIQXEC-ZIAGYGMSSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CCCC3)CC[C@H]21 ZINC000877738204 590404802 /nfs/dbraw/zinc/40/48/02/590404802.db2.gz ANAUFFYRWIQXEC-ZIAGYGMSSA-N 2 1 222.376 2.203 20 0 BEADMP CC(C)C1(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)CC1 ZINC000877738844 590407116 /nfs/dbraw/zinc/40/71/16/590407116.db2.gz MOAAABAGEOMOJB-KGLIPLIRSA-N 2 1 236.403 2.449 20 0 BEADMP CC(C)C1(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000877738844 590407119 /nfs/dbraw/zinc/40/71/19/590407119.db2.gz MOAAABAGEOMOJB-KGLIPLIRSA-N 2 1 236.403 2.449 20 0 BEADMP CC(C)C1(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000877738844 590407122 /nfs/dbraw/zinc/40/71/22/590407122.db2.gz MOAAABAGEOMOJB-KGLIPLIRSA-N 2 1 236.403 2.449 20 0 BEADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]21 ZINC000877741289 590409307 /nfs/dbraw/zinc/40/93/07/590409307.db2.gz AKBLAFNJTIXEBA-LSDHHAIUSA-N 2 1 230.355 2.213 20 0 BEADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]21 ZINC000877741289 590409309 /nfs/dbraw/zinc/40/93/09/590409309.db2.gz AKBLAFNJTIXEBA-LSDHHAIUSA-N 2 1 230.355 2.213 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]21 ZINC000877741289 590409310 /nfs/dbraw/zinc/40/93/10/590409310.db2.gz AKBLAFNJTIXEBA-LSDHHAIUSA-N 2 1 230.355 2.213 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]21 ZINC000877741289 590409312 /nfs/dbraw/zinc/40/93/12/590409312.db2.gz AKBLAFNJTIXEBA-LSDHHAIUSA-N 2 1 230.355 2.213 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CC=CCC3)CC[C@@H]21 ZINC000877744735 590412745 /nfs/dbraw/zinc/41/27/45/590412745.db2.gz XKIXHXYCAFRVAQ-KFWWJZLASA-N 2 1 234.387 2.369 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CC=CCC3)CC[C@@H]21 ZINC000877744735 590412746 /nfs/dbraw/zinc/41/27/46/590412746.db2.gz XKIXHXYCAFRVAQ-KFWWJZLASA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CC=CCC3)CC[C@@H]21 ZINC000877744735 590412747 /nfs/dbraw/zinc/41/27/47/590412747.db2.gz XKIXHXYCAFRVAQ-KFWWJZLASA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CC=CCC3)CC[C@@H]21 ZINC000877744735 590412748 /nfs/dbraw/zinc/41/27/48/590412748.db2.gz XKIXHXYCAFRVAQ-KFWWJZLASA-N 2 1 234.387 2.369 20 0 BEADMP C=C/C=C\CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000878125828 590501811 /nfs/dbraw/zinc/50/18/11/590501811.db2.gz SFJWRLCOASDRLS-GEXIGZQTSA-N 2 1 222.376 2.392 20 0 BEADMP C=C/C=C\CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000878125830 590501832 /nfs/dbraw/zinc/50/18/32/590501832.db2.gz SFJWRLCOASDRLS-GXMNPTEKSA-N 2 1 222.376 2.392 20 0 BEADMP CCCCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879574351 590812601 /nfs/dbraw/zinc/81/26/01/590812601.db2.gz ZSYTXABKIQGRQV-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP CCCCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879574351 590812604 /nfs/dbraw/zinc/81/26/04/590812604.db2.gz ZSYTXABKIQGRQV-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP CCCCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879574351 590812607 /nfs/dbraw/zinc/81/26/07/590812607.db2.gz ZSYTXABKIQGRQV-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP CCCCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879574351 590812608 /nfs/dbraw/zinc/81/26/08/590812608.db2.gz ZSYTXABKIQGRQV-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP C[N@@H+]1CC[C@H]2C[NH+](CC3CC(C)(C)C3)CC[C@H]21 ZINC000879579757 590817322 /nfs/dbraw/zinc/81/73/22/590817322.db2.gz PFLYLYUGXURVMN-UONOGXRCSA-N 2 1 236.403 2.449 20 0 BEADMP C[N@H+]1CC[C@H]2C[NH+](CC3CC(C)(C)C3)CC[C@H]21 ZINC000879579757 590817325 /nfs/dbraw/zinc/81/73/25/590817325.db2.gz PFLYLYUGXURVMN-UONOGXRCSA-N 2 1 236.403 2.449 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](CC3CC(C)(C)C3)CC[C@H]21 ZINC000879579757 590817327 /nfs/dbraw/zinc/81/73/27/590817327.db2.gz PFLYLYUGXURVMN-UONOGXRCSA-N 2 1 236.403 2.449 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](CC3CC(C)(C)C3)CC[C@H]21 ZINC000879579757 590817330 /nfs/dbraw/zinc/81/73/30/590817330.db2.gz PFLYLYUGXURVMN-UONOGXRCSA-N 2 1 236.403 2.449 20 0 BEADMP CC(C)SCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879581495 590821503 /nfs/dbraw/zinc/82/15/03/590821503.db2.gz LLFLWHRGBMQOHI-QWHCGFSZSA-N 2 1 242.432 2.154 20 0 BEADMP CC(C)SCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879581495 590821505 /nfs/dbraw/zinc/82/15/05/590821505.db2.gz LLFLWHRGBMQOHI-QWHCGFSZSA-N 2 1 242.432 2.154 20 0 BEADMP CC(C)SCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879581495 590821509 /nfs/dbraw/zinc/82/15/09/590821509.db2.gz LLFLWHRGBMQOHI-QWHCGFSZSA-N 2 1 242.432 2.154 20 0 BEADMP CC(C)SCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879581495 590821513 /nfs/dbraw/zinc/82/15/13/590821513.db2.gz LLFLWHRGBMQOHI-QWHCGFSZSA-N 2 1 242.432 2.154 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](CF)C1 ZINC000880236828 590968172 /nfs/dbraw/zinc/96/81/72/590968172.db2.gz JYZHMANYQBOEPT-CYBMUJFWSA-N 2 1 230.371 2.400 20 0 BEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(F)CC1 ZINC000880242482 590975839 /nfs/dbraw/zinc/97/58/39/590975839.db2.gz AUBZGOKOUBFUKS-ZDUSSCGKSA-N 2 1 228.355 2.295 20 0 BEADMP CC[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258895 590979382 /nfs/dbraw/zinc/97/93/82/590979382.db2.gz DTDKOFKGIJKAIV-CHWSQXEVSA-N 2 1 233.359 2.391 20 0 BEADMP C[C@@H]1C[N@@H+](CCC2CC2)CCN1c1cc[nH+]cc1 ZINC000880260684 590980479 /nfs/dbraw/zinc/98/04/79/590980479.db2.gz RESHBHAEZDDIAW-CYBMUJFWSA-N 2 1 245.370 2.392 20 0 BEADMP Cc1ncnc(NCCC[N@H+](C)C(C)C)c1C ZINC000881802917 591272004 /nfs/dbraw/zinc/27/20/04/591272004.db2.gz IBEMNHLZSWVIDH-UHFFFAOYSA-N 2 1 236.363 2.236 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CCCCCC1 ZINC000129557780 591322772 /nfs/dbraw/zinc/32/27/72/591322772.db2.gz AREKODWKUXPTAP-WCQYABFASA-N 2 1 210.365 2.439 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C=CCC2)[C@H](C)C1 ZINC000883247011 591587987 /nfs/dbraw/zinc/58/79/87/591587987.db2.gz XHBYMRZJMNKGCK-MCIONIFRSA-N 2 1 222.376 2.273 20 0 BEADMP C=C/C=C/CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000883260111 591597226 /nfs/dbraw/zinc/59/72/26/591597226.db2.gz KHKXKHVZVFUPFU-AATRIKPKSA-N 2 1 231.343 2.370 20 0 BEADMP FC1(F)CCC[C@@H]1CC[N@@H+]1CCC[NH2+]CC1 ZINC000883415501 591652509 /nfs/dbraw/zinc/65/25/09/591652509.db2.gz WYXQEFBFPDGBNG-LLVKDONJSA-N 2 1 232.318 2.107 20 0 BEADMP FC1(F)CCC[C@@H]1CC[N@H+]1CCC[NH2+]CC1 ZINC000883415501 591652512 /nfs/dbraw/zinc/65/25/12/591652512.db2.gz WYXQEFBFPDGBNG-LLVKDONJSA-N 2 1 232.318 2.107 20 0 BEADMP C[N@@H+](CC[C@H]1CCCC1(F)F)C1CC([NH3+])C1 ZINC000883429156 591661011 /nfs/dbraw/zinc/66/10/11/591661011.db2.gz NDBGVGFEITVNKA-KPPDAEKUSA-N 2 1 232.318 2.233 20 0 BEADMP C=C/C=C/CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000883429911 591661731 /nfs/dbraw/zinc/66/17/31/591661731.db2.gz HZRJEFBBPYKIBK-XGACYXMMSA-N 2 1 220.360 2.194 20 0 BEADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000132473737 591711317 /nfs/dbraw/zinc/71/13/17/591711317.db2.gz LRYJRLYDCJWFFM-NDNKKMJESA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C2(C3CC3)CCC2)CC[N@@H+]1C ZINC000886824892 592349192 /nfs/dbraw/zinc/34/91/92/592349192.db2.gz IVOOOJRNPFXOBV-AAEUAGOBSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C2(C3CC3)CCC2)CC[N@H+]1C ZINC000886824892 592349195 /nfs/dbraw/zinc/34/91/95/592349195.db2.gz IVOOOJRNPFXOBV-AAEUAGOBSA-N 2 1 222.376 2.391 20 0 BEADMP C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000886840149 592360056 /nfs/dbraw/zinc/36/00/56/592360056.db2.gz USGDZIHKHJGHSW-OWCLPIDISA-N 2 1 248.414 2.498 20 0 BEADMP C(C[NH+]1CCC2(CC[NH2+]2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000886840239 592361259 /nfs/dbraw/zinc/36/12/59/592361259.db2.gz XHVOXUXRRWXKCQ-KGLIPLIRSA-N 2 1 234.387 2.251 20 0 BEADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C2 ZINC000886841411 592362047 /nfs/dbraw/zinc/36/20/47/592362047.db2.gz KNYZBHWIQPQYDY-QPSCCSFWSA-N 2 1 234.387 2.236 20 0 BEADMP C[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+]1CC[NH3+] ZINC000886843293 592362874 /nfs/dbraw/zinc/36/28/74/592362874.db2.gz UYDDIDKSRWTDQV-AWEZNQCLSA-N 2 1 236.334 2.181 20 0 BEADMP C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1CC[NH3+] ZINC000886843293 592362879 /nfs/dbraw/zinc/36/28/79/592362879.db2.gz UYDDIDKSRWTDQV-AWEZNQCLSA-N 2 1 236.334 2.181 20 0 BEADMP C[C@@H]1CC[N@@H+](CCC[NH3+])[C@@H]1c1ccccc1 ZINC000886857792 592369680 /nfs/dbraw/zinc/36/96/80/592369680.db2.gz ADBFLKNMYIMBQP-OCCSQVGLSA-N 2 1 218.344 2.418 20 0 BEADMP CC(C)CC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865162 592374486 /nfs/dbraw/zinc/37/44/86/592374486.db2.gz BZWYFOLTVDSAKE-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP Cl/C=C/C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874426 592375366 /nfs/dbraw/zinc/37/53/66/592375366.db2.gz NOWIGVGAHMXNNC-MJRJWQSSSA-N 2 1 228.767 2.205 20 0 BEADMP Cl/C=C/C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874426 592375369 /nfs/dbraw/zinc/37/53/69/592375369.db2.gz NOWIGVGAHMXNNC-MJRJWQSSSA-N 2 1 228.767 2.205 20 0 BEADMP CC[C@@H](C)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874557 592377938 /nfs/dbraw/zinc/37/79/38/592377938.db2.gz QGGITXSBTYCGGS-CHWSQXEVSA-N 2 1 210.365 2.251 20 0 BEADMP CC[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134912 592449100 /nfs/dbraw/zinc/44/91/00/592449100.db2.gz SGHDYNFTKFLCNZ-OLZOCXBDSA-N 2 1 233.359 2.391 20 0 BEADMP CC(C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887131183 592450008 /nfs/dbraw/zinc/45/00/08/592450008.db2.gz SCQXCLSYZFLMOY-LBPRGKRZSA-N 2 1 219.332 2.001 20 0 BEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccns1 ZINC000925703420 634379871 /nfs/dbraw/zinc/37/98/71/634379871.db2.gz DSZBFTMJXNKSAI-JTQLQIEISA-N 2 1 237.372 2.056 20 0 BEADMP CC1(C)[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)C1(F)F ZINC000925704814 634384426 /nfs/dbraw/zinc/38/44/26/634384426.db2.gz FKWCEMNMLUHOER-ZJUUUORDSA-N 2 1 244.329 2.152 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000925709081 634404826 /nfs/dbraw/zinc/40/48/26/634404826.db2.gz OAIQCMYBRHANMC-DCAQKATOSA-N 2 1 232.318 2.152 20 0 BEADMP C[C@H](c1ccncc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257696372 634467161 /nfs/dbraw/zinc/46/71/61/634467161.db2.gz KEMSOKTYPOIRMF-HIFRSBDPSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@H](c1ccncc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257696372 634467165 /nfs/dbraw/zinc/46/71/65/634467165.db2.gz KEMSOKTYPOIRMF-HIFRSBDPSA-N 2 1 245.370 2.218 20 0 BEADMP Cc1ccccc1C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000257726515 634481729 /nfs/dbraw/zinc/48/17/29/634481729.db2.gz WLLPCQHZLRQESA-HNNXBMFYSA-N 2 1 230.355 2.323 20 0 BEADMP Cc1ccccc1C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000257726515 634481731 /nfs/dbraw/zinc/48/17/31/634481731.db2.gz WLLPCQHZLRQESA-HNNXBMFYSA-N 2 1 230.355 2.323 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@H]1CCCC1(F)F ZINC000925736740 634591174 /nfs/dbraw/zinc/59/11/74/634591174.db2.gz OEEBNQXJRIMUFF-IJLUTSLNSA-N 2 1 246.345 2.400 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000083008656 631418305 /nfs/dbraw/zinc/41/83/05/631418305.db2.gz JKIIACLVIPOKPQ-CQSZACIVSA-N 2 1 218.344 2.166 20 0 BEADMP CCC[C@H](C)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733061 631494842 /nfs/dbraw/zinc/49/48/42/631494842.db2.gz ZZIPEUKCEHVCKV-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP CCC[C@H](C)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733061 631494849 /nfs/dbraw/zinc/49/48/49/631494849.db2.gz ZZIPEUKCEHVCKV-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP CCC[C@H](C)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933733061 631494856 /nfs/dbraw/zinc/49/48/56/631494856.db2.gz ZZIPEUKCEHVCKV-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP CCC[C@H](C)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933733061 631494860 /nfs/dbraw/zinc/49/48/60/631494860.db2.gz ZZIPEUKCEHVCKV-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCC(F)(F)C1 ZINC000925928610 635641584 /nfs/dbraw/zinc/64/15/84/635641584.db2.gz FHBYDEWJMGHRHL-PSIUFMSWSA-N 2 1 244.329 2.104 20 0 BEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccccc1 ZINC000052046947 632056078 /nfs/dbraw/zinc/05/60/78/632056078.db2.gz BSBXNJPPUNTWFM-CYBMUJFWSA-N 2 1 246.358 2.107 20 0 BEADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1(Cl)CC1 ZINC000926573778 632571375 /nfs/dbraw/zinc/57/13/75/632571375.db2.gz QBVPQSPIFUDYCR-NEPJUHHUSA-N 2 1 244.810 2.468 20 0 BEADMP CC[C@@H]1CCCC[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000309041661 632625476 /nfs/dbraw/zinc/62/54/76/632625476.db2.gz KIQSUULBFHPFJZ-NXEZZACHSA-N 2 1 220.307 2.233 20 0 BEADMP CC[C@@H]1CCCC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000309041661 632625484 /nfs/dbraw/zinc/62/54/84/632625484.db2.gz KIQSUULBFHPFJZ-NXEZZACHSA-N 2 1 220.307 2.233 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CC[C@@H]1C ZINC000309164422 632656346 /nfs/dbraw/zinc/65/63/46/632656346.db2.gz IIDFIMMUBBCNDG-XQQFMLRXSA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CC[C@@H]1C ZINC000309164422 632656349 /nfs/dbraw/zinc/65/63/49/632656349.db2.gz IIDFIMMUBBCNDG-XQQFMLRXSA-N 2 1 212.381 2.495 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccccc1 ZINC000924541537 632790285 /nfs/dbraw/zinc/79/02/85/632790285.db2.gz CRIXWTKCQAUATO-XYPWUTKMSA-N 2 1 244.382 2.159 20 0 BEADMP CC[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000309437246 633071752 /nfs/dbraw/zinc/07/17/52/633071752.db2.gz NCJAJHXWTKWOAI-MNOVXSKESA-N 2 1 234.334 2.481 20 0 BEADMP CC[C@@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000309437246 633071757 /nfs/dbraw/zinc/07/17/57/633071757.db2.gz NCJAJHXWTKWOAI-MNOVXSKESA-N 2 1 234.334 2.481 20 0 BEADMP C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000310407066 635983636 /nfs/dbraw/zinc/98/36/36/635983636.db2.gz OKNLORWCPXABKS-LSDHHAIUSA-N 2 1 236.403 2.498 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)s1 ZINC000328550513 633773645 /nfs/dbraw/zinc/77/36/45/633773645.db2.gz SJIOQYAINUHIIG-KYYPQDQFSA-N 2 1 248.395 2.143 20 0 BEADMP C[C@H]([NH3+])[C@@H](NCCCC[NH+](C)C)c1ccccc1 ZINC000925522789 633896825 /nfs/dbraw/zinc/89/68/25/633896825.db2.gz USVRWROFZALYSA-DZGCQCFKSA-N 2 1 249.402 2.006 20 0 BEADMP C[C@H]([NH3+])[C@@H]([NH2+]CCCC[NH+](C)C)c1ccccc1 ZINC000925522789 633896828 /nfs/dbraw/zinc/89/68/28/633896828.db2.gz USVRWROFZALYSA-DZGCQCFKSA-N 3 1 249.402 2.006 20 0 BEADMP Cc1cccc(F)c1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925523901 633897907 /nfs/dbraw/zinc/89/79/07/633897907.db2.gz OUAPNAGNWZRESA-KGLIPLIRSA-N 2 1 248.345 2.494 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2CC(C(F)F)C2)CC[N@@H+]1C ZINC000309370511 633903261 /nfs/dbraw/zinc/90/32/61/633903261.db2.gz BYOSGIOYEMXNMO-VKAADOFISA-N 2 1 232.318 2.102 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2CC(C(F)F)C2)CC[N@H+]1C ZINC000309370511 633903265 /nfs/dbraw/zinc/90/32/65/633903265.db2.gz BYOSGIOYEMXNMO-VKAADOFISA-N 2 1 232.318 2.102 20 0 BEADMP Cc1cc(C[NH2+]CCC[NH+](C)C)cc(Cl)n1 ZINC000309898439 633914163 /nfs/dbraw/zinc/91/41/63/633914163.db2.gz GUDGIENQXUHQJB-UHFFFAOYSA-N 2 1 241.766 2.085 20 0 BEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H]1Cc1ccccc1 ZINC000925575187 634075170 /nfs/dbraw/zinc/07/51/70/634075170.db2.gz QQYHNGRZDDLBJJ-KFWWJZLASA-N 2 1 244.382 2.348 20 0 BEADMP FC1(F)CCC[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925617170 634166357 /nfs/dbraw/zinc/16/63/57/634166357.db2.gz BGJVHIGQBVIVCR-QWRGUYRKSA-N 2 1 244.329 2.439 20 0 BEADMP CC(C)(C[NH2+][C@@H]1CC[NH2+]C1(C)C)c1ccccn1 ZINC000925679637 634275783 /nfs/dbraw/zinc/27/57/83/634275783.db2.gz KVOMCCJTQVMFEO-CYBMUJFWSA-N 2 1 247.386 2.089 20 0 BEADMP COC1(C[N@@H+](C)C2CCC([NH3+])CC2)CCCC1 ZINC000319443525 634280774 /nfs/dbraw/zinc/28/07/74/634280774.db2.gz LXTZYKQFEDPMGS-UHFFFAOYSA-N 2 1 240.391 2.147 20 0 BEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C(C)C)C1 ZINC000053655368 634283111 /nfs/dbraw/zinc/28/31/11/634283111.db2.gz BBEMWUVCCKVSRN-ZDUSSCGKSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000925684764 634293685 /nfs/dbraw/zinc/29/36/85/634293685.db2.gz IZLKAJKAMCCYOS-MWLCHTKSSA-N 2 1 232.318 2.152 20 0 BEADMP C[NH+]1C[C@]2(C)C[NH+](CC3=CCCC3)C[C@@]2(C)C1 ZINC000931318198 634336919 /nfs/dbraw/zinc/33/69/19/634336919.db2.gz SKECLPCYJSUJMG-HUUCEWRRSA-N 2 1 234.387 2.370 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000925695029 634340866 /nfs/dbraw/zinc/34/08/66/634340866.db2.gz VSGJTNPFKUAPRF-GXTWGEPZSA-N 2 1 247.386 2.089 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)CS1 ZINC000925700153 634370092 /nfs/dbraw/zinc/37/00/92/634370092.db2.gz ZDIMMSPWVRPQLC-GRYCIOLGSA-N 2 1 240.416 2.145 20 0 BEADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000925774561 635237068 /nfs/dbraw/zinc/23/70/68/635237068.db2.gz WNNGZRVXRSQNSC-GXFFZTMASA-N 2 1 249.358 2.030 20 0 BEADMP CCOc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094338822 635299135 /nfs/dbraw/zinc/29/91/35/635299135.db2.gz VPOQJSALLOSYPS-TZMCWYRMSA-N 2 1 248.370 2.254 20 0 BEADMP CCOc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094338822 635299147 /nfs/dbraw/zinc/29/91/47/635299147.db2.gz VPOQJSALLOSYPS-TZMCWYRMSA-N 2 1 248.370 2.254 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1C ZINC000094338850 635299822 /nfs/dbraw/zinc/29/98/22/635299822.db2.gz MANXCNSPESYZGM-TZMCWYRMSA-N 2 1 248.370 2.173 20 0 BEADMP c1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CC3CCC1CC3)C2 ZINC000925812513 635369646 /nfs/dbraw/zinc/36/96/46/635369646.db2.gz IJGPXVQIHSVNGP-HOAMVYINSA-N 2 1 245.370 2.366 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000094522064 635371218 /nfs/dbraw/zinc/37/12/18/635371218.db2.gz HQOYIMIWLOXQBC-ZDUSSCGKSA-N 2 1 230.355 2.345 20 0 BEADMP CC[N@H+](Cc1ccccn1)C[C@@]1(C)CCC[NH2+]C1 ZINC000094918362 635394981 /nfs/dbraw/zinc/39/49/81/635394981.db2.gz IRXQZHIMPZYXKN-HNNXBMFYSA-N 2 1 247.386 2.293 20 0 BEADMP CC[N@@H+](Cc1ccccn1)C[C@@]1(C)CCC[NH2+]C1 ZINC000094918362 635394983 /nfs/dbraw/zinc/39/49/83/635394983.db2.gz IRXQZHIMPZYXKN-HNNXBMFYSA-N 2 1 247.386 2.293 20 0 BEADMP COCC[C@@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866707738 636930489 /nfs/dbraw/zinc/93/04/89/636930489.db2.gz VSFVKUPGYMOCQR-TZMCWYRMSA-N 2 1 242.407 2.108 20 0 BEADMP CCO[C@@H](C[NH2+][C@H](CC)C(C)(C)C)C[NH+](C)C ZINC000926957733 636971121 /nfs/dbraw/zinc/97/11/21/636971121.db2.gz CRSCIHQMKJPJSN-QWHCGFSZSA-N 2 1 244.423 2.367 20 0 BEADMP CCO[C@H](C[NH2+][C@@H](C)C(C)(C)CC)C[NH+](C)C ZINC000926963097 636972679 /nfs/dbraw/zinc/97/26/79/636972679.db2.gz SGJYLHLTJQHEFD-QWHCGFSZSA-N 2 1 244.423 2.367 20 0 BEADMP CCO[C@H](C[NH2+][C@H](C)CC(C)(C)C)C[NH+](C)C ZINC000926961465 636972865 /nfs/dbraw/zinc/97/28/65/636972865.db2.gz PAWXETUGGMIWHX-CHWSQXEVSA-N 2 1 244.423 2.367 20 0 BEADMP CCO[C@@H](C[NH2+][C@@H](C)CCC1CC1)C[NH+](C)C ZINC000926965010 636976875 /nfs/dbraw/zinc/97/68/75/636976875.db2.gz ZEKPMUAKHXBRRF-JSGCOSHPSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)[N@@H+](C[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000903721635 637378586 /nfs/dbraw/zinc/37/85/86/637378586.db2.gz CCDXPMPYJCPJQJ-GFCCVEGCSA-N 2 1 210.365 2.249 20 0 BEADMP C[N@@H+](Cc1cccc(O)c1)C[C@H]1CCCC[NH2+]C1 ZINC000903724139 637379374 /nfs/dbraw/zinc/37/93/74/637379374.db2.gz LGVOEGUBXWMHKB-AWEZNQCLSA-N 2 1 248.370 2.214 20 0 BEADMP C[N@H+](Cc1cccc(O)c1)C[C@H]1CCCC[NH2+]C1 ZINC000903724139 637379387 /nfs/dbraw/zinc/37/93/87/637379387.db2.gz LGVOEGUBXWMHKB-AWEZNQCLSA-N 2 1 248.370 2.214 20 0 BEADMP C[C@]1(C[N@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)CC[NH2+]C1 ZINC000904465295 637408494 /nfs/dbraw/zinc/40/84/94/637408494.db2.gz ZDDOAYMULAFAKJ-LEOABGAYSA-N 2 1 248.414 2.354 20 0 BEADMP Cc1oc2ccccc2c1C[NH2+]CC1([NH3+])CC1 ZINC000904449113 637412651 /nfs/dbraw/zinc/41/26/51/637412651.db2.gz HEHJMYLKWMDDGQ-UHFFFAOYSA-N 2 1 230.311 2.322 20 0 BEADMP [NH3+]C1(C[NH2+]CCCC2CCCCC2)CC1 ZINC000904444227 637413768 /nfs/dbraw/zinc/41/37/68/637413768.db2.gz OODFELUVLATNTQ-UHFFFAOYSA-N 2 1 210.365 2.428 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000904444832 637414918 /nfs/dbraw/zinc/41/49/18/637414918.db2.gz SQLZRJRHDLEJFJ-UHFFFAOYSA-N 2 1 226.270 2.205 20 0 BEADMP C[N@H+]1CCCC[C@H]1CCON=C(N)C1CCC1 ZINC000906507441 638179112 /nfs/dbraw/zinc/17/91/12/638179112.db2.gz CMJICRULQCPMQM-LBPRGKRZSA-N 2 1 239.363 2.159 20 0 BEADMP C[N@@H+]1CCCC[C@H]1CCO[NH+]=C(N)C1CCC1 ZINC000906507441 638179116 /nfs/dbraw/zinc/17/91/16/638179116.db2.gz CMJICRULQCPMQM-LBPRGKRZSA-N 2 1 239.363 2.159 20 0 BEADMP C[N@H+]1CCCC[C@H]1CCO[NH+]=C(N)C1CCC1 ZINC000906507441 638179117 /nfs/dbraw/zinc/17/91/17/638179117.db2.gz CMJICRULQCPMQM-LBPRGKRZSA-N 2 1 239.363 2.159 20 0 BEADMP CCCCOc1ccccc1C[NH2+]C1CC([NH3+])C1 ZINC000906509230 638181772 /nfs/dbraw/zinc/18/17/72/638181772.db2.gz BHIDHATUCRISOG-UHFFFAOYSA-N 2 1 248.370 2.445 20 0 BEADMP C[C@@H](C1CC1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000930805016 639910374 /nfs/dbraw/zinc/91/03/74/639910374.db2.gz NLQPZCOVEQODIT-ZDUSSCGKSA-N 2 1 245.370 2.392 20 0 BEADMP C[N@@H+]1C[C@]2(C)C[NH+](CCCCF)C[C@]2(C)C1 ZINC000931314352 640153005 /nfs/dbraw/zinc/15/30/05/640153005.db2.gz MNIQBESPNFNZCJ-BETUJISGSA-N 2 1 228.355 2.010 20 0 BEADMP C[N@H+]1C[C@]2(C)C[NH+](CCCCF)C[C@]2(C)C1 ZINC000931314352 640153009 /nfs/dbraw/zinc/15/30/09/640153009.db2.gz MNIQBESPNFNZCJ-BETUJISGSA-N 2 1 228.355 2.010 20 0 BEADMP C[NH+]1C[C@]2(C)C[N@H+](CCCCF)C[C@]2(C)C1 ZINC000931314352 640153016 /nfs/dbraw/zinc/15/30/16/640153016.db2.gz MNIQBESPNFNZCJ-BETUJISGSA-N 2 1 228.355 2.010 20 0 BEADMP C[NH+]1C[C@]2(C)C[N@@H+](CCCCF)C[C@]2(C)C1 ZINC000931314352 640153026 /nfs/dbraw/zinc/15/30/26/640153026.db2.gz MNIQBESPNFNZCJ-BETUJISGSA-N 2 1 228.355 2.010 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CCCC(C)(F)F)C[C@@H]2C1 ZINC000931442343 640205097 /nfs/dbraw/zinc/20/50/97/640205097.db2.gz CXSGJVGHDQXUHR-NEPJUHHUSA-N 2 1 246.345 2.305 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CCCC(C)(F)F)C[C@@H]2C1 ZINC000931442343 640205100 /nfs/dbraw/zinc/20/51/00/640205100.db2.gz CXSGJVGHDQXUHR-NEPJUHHUSA-N 2 1 246.345 2.305 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCC(C)(F)F)C[C@@H]2C1 ZINC000931442343 640205109 /nfs/dbraw/zinc/20/51/09/640205109.db2.gz CXSGJVGHDQXUHR-NEPJUHHUSA-N 2 1 246.345 2.305 20 0 BEADMP CCCCCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440351 640207096 /nfs/dbraw/zinc/20/70/96/640207096.db2.gz WOVWKFWADODSEJ-UONOGXRCSA-N 2 1 224.392 2.450 20 0 BEADMP CCCCCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931440351 640207100 /nfs/dbraw/zinc/20/71/00/640207100.db2.gz WOVWKFWADODSEJ-UONOGXRCSA-N 2 1 224.392 2.450 20 0 BEADMP CCCCCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931440351 640207107 /nfs/dbraw/zinc/20/71/07/640207107.db2.gz WOVWKFWADODSEJ-UONOGXRCSA-N 2 1 224.392 2.450 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(C)(C)C)C[C@@H]2C1 ZINC000931440322 640208777 /nfs/dbraw/zinc/20/87/77/640208777.db2.gz VMYCNKRVUXOTTG-OLZOCXBDSA-N 2 1 224.392 2.306 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC000931440322 640208782 /nfs/dbraw/zinc/20/87/82/640208782.db2.gz VMYCNKRVUXOTTG-OLZOCXBDSA-N 2 1 224.392 2.306 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC000931440322 640208789 /nfs/dbraw/zinc/20/87/89/640208789.db2.gz VMYCNKRVUXOTTG-OLZOCXBDSA-N 2 1 224.392 2.306 20 0 BEADMP CC1CC(C[N@H+]2[C@@H]3CC[C@H]2CN(C)CC3)C1 ZINC000931717601 640334616 /nfs/dbraw/zinc/33/46/16/640334616.db2.gz KHGZKECBLTURFO-PQAZSJQKSA-N 2 1 222.376 2.201 20 0 BEADMP C=C/C=C/CC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000931719899 640341123 /nfs/dbraw/zinc/34/11/23/640341123.db2.gz OXKJUMOMJAHRDE-OOPLNXAUSA-N 2 1 220.360 2.287 20 0 BEADMP C=C/C=C/CC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000931719899 640341132 /nfs/dbraw/zinc/34/11/32/640341132.db2.gz OXKJUMOMJAHRDE-OOPLNXAUSA-N 2 1 220.360 2.287 20 0 BEADMP C=C/C=C/CC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000931719899 640341140 /nfs/dbraw/zinc/34/11/40/640341140.db2.gz OXKJUMOMJAHRDE-OOPLNXAUSA-N 2 1 220.360 2.287 20 0 BEADMP C=C/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000931719899 640341145 /nfs/dbraw/zinc/34/11/45/640341145.db2.gz OXKJUMOMJAHRDE-OOPLNXAUSA-N 2 1 220.360 2.287 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000165069574 640530357 /nfs/dbraw/zinc/53/03/57/640530357.db2.gz GPXWHFKJRPPSLN-GFCCVEGCSA-N 2 1 241.338 2.015 20 0 BEADMP CC(C)[C@@H]1CC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000166056702 640609877 /nfs/dbraw/zinc/60/98/77/640609877.db2.gz LWHCXNMCXYOVQW-GFCCVEGCSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000223934678 640594169 /nfs/dbraw/zinc/59/41/69/640594169.db2.gz PKWWZGNWRHWLPC-BMFZPTHFSA-N 2 1 244.382 2.331 20 0 BEADMP CC(C)[C@@H]1CC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000166056702 640609875 /nfs/dbraw/zinc/60/98/75/640609875.db2.gz LWHCXNMCXYOVQW-GFCCVEGCSA-N 2 1 212.381 2.352 20 0 BEADMP CC/C=C/CC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933735228 640761614 /nfs/dbraw/zinc/76/16/14/640761614.db2.gz GXAYAEISPKGERA-BUHQSOCUSA-N 2 1 222.376 2.226 20 0 BEADMP CC/C=C/CC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933735228 640761619 /nfs/dbraw/zinc/76/16/19/640761619.db2.gz GXAYAEISPKGERA-BUHQSOCUSA-N 2 1 222.376 2.226 20 0 BEADMP CC/C=C/CC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933735228 640761623 /nfs/dbraw/zinc/76/16/23/640761623.db2.gz GXAYAEISPKGERA-BUHQSOCUSA-N 2 1 222.376 2.226 20 0 BEADMP Cc1cccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1 ZINC000933745239 640762294 /nfs/dbraw/zinc/76/22/94/640762294.db2.gz MKCFAXAQFMPMHO-CVEARBPZSA-N 2 1 244.382 2.379 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)c1 ZINC000933745239 640762297 /nfs/dbraw/zinc/76/22/97/640762297.db2.gz MKCFAXAQFMPMHO-CVEARBPZSA-N 2 1 244.382 2.379 20 0 BEADMP Cc1cccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)c1 ZINC000933745239 640762302 /nfs/dbraw/zinc/76/23/02/640762302.db2.gz MKCFAXAQFMPMHO-CVEARBPZSA-N 2 1 244.382 2.379 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000227056380 640814382 /nfs/dbraw/zinc/81/43/82/640814382.db2.gz ZMRSGTGXXAFISQ-ZFWWWQNUSA-N 2 1 232.371 2.473 20 0 BEADMP CCCCCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000158147834 640819734 /nfs/dbraw/zinc/81/97/34/640819734.db2.gz KJRUKXHXZRQFLR-ZDUSSCGKSA-N 2 1 212.381 2.450 20 0 BEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1CCSC1 ZINC000228612236 640885821 /nfs/dbraw/zinc/88/58/21/640885821.db2.gz XQAXZPDYJYRJCR-WODVXLOZSA-N 2 1 240.416 2.084 20 0 BEADMP CCCCCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000228986611 640909934 /nfs/dbraw/zinc/90/99/34/640909934.db2.gz JHSGXEFDUZQBCQ-STQMWFEESA-N 2 1 212.381 2.483 20 0 BEADMP CC(C)(C)[NH2+]CC[N@H+](CCO)C1CCCCC1 ZINC000042513815 641553497 /nfs/dbraw/zinc/55/34/97/641553497.db2.gz NBULKQGOKQSQKP-UHFFFAOYSA-N 2 1 242.407 2.002 20 0 BEADMP CC(C)(C)[NH2+]CC[N@@H+](CCO)C1CCCCC1 ZINC000042513815 641553504 /nfs/dbraw/zinc/55/35/04/641553504.db2.gz NBULKQGOKQSQKP-UHFFFAOYSA-N 2 1 242.407 2.002 20 0 BEADMP [NH3+]C[C@@H]1CC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000156083469 641592915 /nfs/dbraw/zinc/59/29/15/641592915.db2.gz MRQPLSJGISGPMK-NSHDSACASA-N 2 1 240.297 2.405 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000156083469 641592918 /nfs/dbraw/zinc/59/29/18/641592918.db2.gz MRQPLSJGISGPMK-NSHDSACASA-N 2 1 240.297 2.405 20 0 BEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000076685508 641820210 /nfs/dbraw/zinc/82/02/10/641820210.db2.gz WBPXJQAICUOCLP-JTQLQIEISA-N 2 1 240.297 2.136 20 0 BEADMP CCC(=O)CC[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000190256538 641854691 /nfs/dbraw/zinc/85/46/91/641854691.db2.gz YQUDDPZHCPAKTH-CYBMUJFWSA-N 2 1 240.391 2.019 20 0 BEADMP C[N@@H+](CC1CCCC1)CC1CC[NH+](C)CC1 ZINC000154689241 642184034 /nfs/dbraw/zinc/18/40/34/642184034.db2.gz NKMPEFGWMQZTOX-UHFFFAOYSA-N 2 1 224.392 2.450 20 0 BEADMP CC(C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000307818763 642315773 /nfs/dbraw/zinc/31/57/73/642315773.db2.gz SUQVWHLKUYOVHV-RDBSUJKOSA-N 2 1 224.392 2.482 20 0 BEADMP C(C1CCCC1)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000257682164 642499154 /nfs/dbraw/zinc/49/91/54/642499154.db2.gz LIQAHCSFAKFSRQ-CYBMUJFWSA-N 2 1 208.349 2.005 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2cccs2)C1 ZINC000069626985 642885473 /nfs/dbraw/zinc/88/54/73/642885473.db2.gz WXLONXVLPHPZOP-VXGBXAGGSA-N 2 1 238.400 2.350 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCc2cccs2)C1 ZINC000069626990 642886339 /nfs/dbraw/zinc/88/63/39/642886339.db2.gz WXLONXVLPHPZOP-NEPJUHHUSA-N 2 1 238.400 2.350 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCc2cccs2)C1 ZINC000069626987 642886923 /nfs/dbraw/zinc/88/69/23/642886923.db2.gz WXLONXVLPHPZOP-RYUDHWBXSA-N 2 1 238.400 2.350 20 0 BEADMP C(CC1CCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090233287 643077573 /nfs/dbraw/zinc/07/75/73/643077573.db2.gz NVQOWWBZIZOMPD-UONOGXRCSA-N 2 1 222.376 2.393 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000252789306 643118139 /nfs/dbraw/zinc/11/81/39/643118139.db2.gz ZOYKUHONFDUCMS-OLZOCXBDSA-N 2 1 242.432 2.204 20 0 BEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000097918782 643214192 /nfs/dbraw/zinc/21/41/92/643214192.db2.gz IOZDSSHQKFRSNE-JTQLQIEISA-N 2 1 240.297 2.136 20 0 BEADMP CC1(C)CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000069793396 643223148 /nfs/dbraw/zinc/22/31/48/643223148.db2.gz CCCGHPUHSXHGKX-CYBMUJFWSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000085015677 643523754 /nfs/dbraw/zinc/52/37/54/643523754.db2.gz NFOBDSMKXOMTLP-LPWJVIDDSA-N 2 1 210.365 2.234 20 0 BEADMP CCc1ccccc1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000234150779 643533029 /nfs/dbraw/zinc/53/30/29/643533029.db2.gz GSTXXYZVEPBRLU-RISCZKNCSA-N 2 1 218.344 2.028 20 0 BEADMP CCc1ccccc1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000234150779 643533032 /nfs/dbraw/zinc/53/30/32/643533032.db2.gz GSTXXYZVEPBRLU-RISCZKNCSA-N 2 1 218.344 2.028 20 0 BEADMP Cc1cc[nH+]c(N[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000050164248 643622206 /nfs/dbraw/zinc/62/22/06/643622206.db2.gz VWPBSXGPIPXPGQ-NEPJUHHUSA-N 2 1 219.332 2.190 20 0 BEADMP C[NH2+]CCC[N@@H+](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000846222425 643651372 /nfs/dbraw/zinc/65/13/72/643651372.db2.gz OIEXAJXZUMXAEG-KGLIPLIRSA-N 2 1 218.344 2.084 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000050245504 643660962 /nfs/dbraw/zinc/66/09/62/643660962.db2.gz AXCCSGLZYHMTOD-QWHCGFSZSA-N 2 1 218.344 2.071 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000050245567 643661415 /nfs/dbraw/zinc/66/14/15/643661415.db2.gz GYMXVSVUCVJFTA-CYBMUJFWSA-N 2 1 218.344 2.084 20 0 BEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085014429 643680356 /nfs/dbraw/zinc/68/03/56/643680356.db2.gz URFQBDLLKUTDQI-XQHKEYJVSA-N 2 1 210.365 2.377 20 0 BEADMP CCO[C@@H](C[NH2+]C1CCCCCC1)C[NH+](C)C ZINC000922758284 644087422 /nfs/dbraw/zinc/08/74/22/644087422.db2.gz ARHONEKIXOCMPV-AWEZNQCLSA-N 2 1 242.407 2.266 20 0 BEADMP C[N@H+](CCc1cccs1)C1(C[NH3+])CCC1 ZINC000086475280 644140532 /nfs/dbraw/zinc/14/05/32/644140532.db2.gz CNZHGEJWOPNOBF-UHFFFAOYSA-N 2 1 224.373 2.104 20 0 BEADMP C[N@@H+](CCc1cccs1)C1(C[NH3+])CCC1 ZINC000086475280 644140535 /nfs/dbraw/zinc/14/05/35/644140535.db2.gz CNZHGEJWOPNOBF-UHFFFAOYSA-N 2 1 224.373 2.104 20 0 BEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@]12C[C@H]1CCC2 ZINC000922962952 644204661 /nfs/dbraw/zinc/20/46/61/644204661.db2.gz OLRPGPXNYVXLTG-BARDWOONSA-N 2 1 234.387 2.393 20 0 BEADMP C[C@@H](C1CC1)[N@@H+](CCC[NH2+]C1CC1)C1CC1 ZINC000923305251 644341038 /nfs/dbraw/zinc/34/10/38/644341038.db2.gz LOLBATYFJSXILX-NSHDSACASA-N 2 1 222.376 2.391 20 0 BEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCc3cccc(F)c3)C[C@H]12 ZINC000923331774 644360220 /nfs/dbraw/zinc/36/02/20/644360220.db2.gz ICQRRIFGFUIMFO-AEGPPILISA-N 2 1 248.345 2.037 20 0 BEADMP C(C1CCC2(CC2)CC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000923348317 644360405 /nfs/dbraw/zinc/36/04/05/644360405.db2.gz CIULPWQZHASRAO-OKILXGFUSA-N 2 1 234.387 2.108 20 0 BEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCc3cccc(F)c3)C[C@@H]12 ZINC000923331776 644361121 /nfs/dbraw/zinc/36/11/21/644361121.db2.gz ICQRRIFGFUIMFO-BPLDGKMQSA-N 2 1 248.345 2.037 20 0 BEADMP CCCCCC[C@@H](O)C[N@H+](C)C1(C[NH3+])CCC1 ZINC000923362929 644387898 /nfs/dbraw/zinc/38/78/98/644387898.db2.gz QUNWEOFKNZXOLK-CYBMUJFWSA-N 2 1 242.407 2.131 20 0 BEADMP CCCCCC[C@@H](O)C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000923362929 644387906 /nfs/dbraw/zinc/38/79/06/644387906.db2.gz QUNWEOFKNZXOLK-CYBMUJFWSA-N 2 1 242.407 2.131 20 0 BEADMP CCCCCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000923392203 644399782 /nfs/dbraw/zinc/39/97/82/644399782.db2.gz IIOZYAKZXCMRGU-MCIONIFRSA-N 2 1 242.407 2.129 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000084047057 644415591 /nfs/dbraw/zinc/41/55/91/644415591.db2.gz IKXIBSPLKGSXMV-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000084047057 644415596 /nfs/dbraw/zinc/41/55/96/644415596.db2.gz IKXIBSPLKGSXMV-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H]1C[N@@H+](CCCCCCC[NH3+])C[C@H]1C ZINC000086015349 644457250 /nfs/dbraw/zinc/45/72/50/644457250.db2.gz GFBFXYKTJXXZPH-BETUJISGSA-N 2 1 212.381 2.483 20 0 BEADMP C[C@@H]1C[N@@H+](CCCCCF)CC[C@@H]1C[NH3+] ZINC000923495302 644461007 /nfs/dbraw/zinc/46/10/07/644461007.db2.gz BGEOUJUQBIWVCF-VXGBXAGGSA-N 2 1 216.344 2.043 20 0 BEADMP C[C@H]1C[N@@H+](CCC2CCC2)CC[C@H]1C[NH3+] ZINC000923488011 644462590 /nfs/dbraw/zinc/46/25/90/644462590.db2.gz CTMFUAXHURKRJK-AAEUAGOBSA-N 2 1 210.365 2.093 20 0 BEADMP C[C@H]1C[N@@H+](CCCC(C)(F)F)CC[C@H]1C[NH3+] ZINC000923490522 644464852 /nfs/dbraw/zinc/46/48/52/644464852.db2.gz DFJJVZFHTRINEH-QWRGUYRKSA-N 2 1 234.334 2.339 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c(C)n1 ZINC000923494916 644470824 /nfs/dbraw/zinc/47/08/24/644470824.db2.gz QMGWSQYMFXMAAQ-SMDDNHRTSA-N 2 1 247.386 2.115 20 0 BEADMP COc1cccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923498551 644474008 /nfs/dbraw/zinc/47/40/08/644474008.db2.gz OTXWEAPOSASSOA-OCCSQVGLSA-N 2 1 248.370 2.112 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2)CC[C@H]1C[NH3+] ZINC000923498343 644474255 /nfs/dbraw/zinc/47/42/55/644474255.db2.gz HICJHAOKZXJCIE-YPMHNXCESA-N 2 1 236.334 2.242 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923505094 644474681 /nfs/dbraw/zinc/47/46/81/644474681.db2.gz YEKFYGGMDFKZSR-HIFRSBDPSA-N 2 1 232.371 2.412 20 0 BEADMP Cc1ccccc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923505107 644474947 /nfs/dbraw/zinc/47/49/47/644474947.db2.gz YMOLSVUNATYSFB-KGLIPLIRSA-N 2 1 232.371 2.412 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923505093 644474969 /nfs/dbraw/zinc/47/49/69/644474969.db2.gz YEKFYGGMDFKZSR-DZGCQCFKSA-N 2 1 232.371 2.412 20 0 BEADMP Cc1ccccc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923505109 644475226 /nfs/dbraw/zinc/47/52/26/644475226.db2.gz YMOLSVUNATYSFB-ZIAGYGMSSA-N 2 1 232.371 2.412 20 0 BEADMP C[C@H](c1cccnc1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923501295 644475859 /nfs/dbraw/zinc/47/58/59/644475859.db2.gz PYLHVKMNDQBUGI-JHJVBQTASA-N 2 1 233.359 2.059 20 0 BEADMP c1ccc([C@H]2C[C@H]2[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923515610 644480592 /nfs/dbraw/zinc/48/05/92/644480592.db2.gz IJRQFGTUUUPCHL-ZJIFWQFVSA-N 2 1 242.366 2.084 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517916 644481580 /nfs/dbraw/zinc/48/15/80/644481580.db2.gz HKHICIMQSMOFHC-LSDHHAIUSA-N 2 1 244.382 2.345 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(C)c1 ZINC000923518156 644483946 /nfs/dbraw/zinc/48/39/46/644483946.db2.gz ALYRIJYFPCWGQZ-JKSUJKDBSA-N 2 1 244.382 2.345 20 0 BEADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923534208 644489947 /nfs/dbraw/zinc/48/99/47/644489947.db2.gz RNVGWFNPDIKXFZ-CHWSQXEVSA-N 2 1 210.365 2.251 20 0 BEADMP CC[N@H+]1CC[C@H](N(C)C/C=C/Cl)[C@@H](C)C1 ZINC000247348425 644633437 /nfs/dbraw/zinc/63/34/37/644633437.db2.gz XZFBJBAKORTTNV-YILIYONBSA-N 2 1 230.783 2.401 20 0 BEADMP CC[C@H]1C[N@@H+](CCc2cccs2)CC[C@H]1[NH3+] ZINC000251572975 644810634 /nfs/dbraw/zinc/81/06/34/644810634.db2.gz BYLXOVIVYIJYOQ-WCQYABFASA-N 2 1 238.400 2.350 20 0 BEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCSC1 ZINC000252196659 644841952 /nfs/dbraw/zinc/84/19/52/644841952.db2.gz SMJFOKQZKVIBGJ-OLZOCXBDSA-N 2 1 242.432 2.346 20 0 BEADMP CSC(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703080 644885289 /nfs/dbraw/zinc/88/52/89/644885289.db2.gz FIDBJERYUMMKLC-NEPJUHHUSA-N 2 1 242.432 2.344 20 0 BEADMP C(C[NH2+]C1CC1)C[N@H+]1CCC2(CCCC2)C1 ZINC000304397731 644900792 /nfs/dbraw/zinc/90/07/92/644900792.db2.gz NOAACSAJJIRYJW-UHFFFAOYSA-N 2 1 222.376 2.395 20 0 BEADMP C[C@@H]1SCC[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000253081555 644934839 /nfs/dbraw/zinc/93/48/39/644934839.db2.gz WKCYGPCGWMNDGQ-RWMBFGLXSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@H]([NH3+])[C@H]([NH2+]CC1CCC1)c1ccccc1 ZINC000925485472 645344266 /nfs/dbraw/zinc/34/42/66/645344266.db2.gz NOBKYXQAFHYGOZ-FZMZJTMJSA-N 2 1 218.344 2.465 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC(C)(C)F ZINC000926702918 645369461 /nfs/dbraw/zinc/36/94/61/645369461.db2.gz RFQIQIIDTVDGRG-FOSCPWQOSA-N 2 1 228.355 2.054 20 0 BEADMP CCO[C@H](C[NH2+][C@H]1CCC[C@H]1CC)C[NH+](C)C ZINC000926965695 645499491 /nfs/dbraw/zinc/49/94/91/645499491.db2.gz SFKYJYPPWSGEKY-MCIONIFRSA-N 2 1 242.407 2.121 20 0 BEADMP CCO[C@H](C[NH2+][C@@H](C)CCC(C)C)C[NH+](C)C ZINC000926965940 645501717 /nfs/dbraw/zinc/50/17/17/645501717.db2.gz UENUSJXXURZGMP-UONOGXRCSA-N 2 1 244.423 2.367 20 0 BEADMP C[C@@H]1CC[C@@H](C)C1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000925010276 646157076 /nfs/dbraw/zinc/15/70/76/646157076.db2.gz MESAGLRAYCBHOC-JHJVBQTASA-N 2 1 224.392 2.352 20 0 BEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000925488232 646299682 /nfs/dbraw/zinc/29/96/82/646299682.db2.gz IOKDZOSDAUIWGJ-ZDUSSCGKSA-N 2 1 236.334 2.098 20 0 BEADMP CC[NH+]1CCC([N@H+](C)CC2CC(C)C2)CC1 ZINC000929781319 646307592 /nfs/dbraw/zinc/30/75/92/646307592.db2.gz VRIMNMVFFLJUGC-UHFFFAOYSA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)CC2CC(C)C2)CC1 ZINC000929781319 646307596 /nfs/dbraw/zinc/30/75/96/646307596.db2.gz VRIMNMVFFLJUGC-UHFFFAOYSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000929783375 646311651 /nfs/dbraw/zinc/31/16/51/646311651.db2.gz PYFLYORFLATQHM-YIYPIFLZSA-N 2 1 224.392 2.447 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000929783375 646311656 /nfs/dbraw/zinc/31/16/56/646311656.db2.gz PYFLYORFLATQHM-YIYPIFLZSA-N 2 1 224.392 2.447 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000929783375 646311658 /nfs/dbraw/zinc/31/16/58/646311658.db2.gz PYFLYORFLATQHM-YIYPIFLZSA-N 2 1 224.392 2.447 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000929783375 646311662 /nfs/dbraw/zinc/31/16/62/646311662.db2.gz PYFLYORFLATQHM-YIYPIFLZSA-N 2 1 224.392 2.447 20 0 BEADMP C[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccncc1 ZINC000925543557 646324489 /nfs/dbraw/zinc/32/44/89/646324489.db2.gz VTPZBXDDOHGRPW-OCCSQVGLSA-N 2 1 245.370 2.059 20 0 BEADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccncc1 ZINC000925543555 646324586 /nfs/dbraw/zinc/32/45/86/646324586.db2.gz VTPZBXDDOHGRPW-GXTWGEPZSA-N 2 1 245.370 2.059 20 0 BEADMP C[C@H]([NH3+])[C@@H]([NH2+]CCC1CC1)c1ccccc1 ZINC000925572675 646339215 /nfs/dbraw/zinc/33/92/15/646339215.db2.gz KNWSHNVEVMCDAF-SMDDNHRTSA-N 2 1 218.344 2.465 20 0 BEADMP C[C@@H]([NH3+])[C@@H]([NH2+]CCC1CC1)c1ccccc1 ZINC000925572670 646340335 /nfs/dbraw/zinc/34/03/35/646340335.db2.gz KNWSHNVEVMCDAF-BXUZGUMPSA-N 2 1 218.344 2.465 20 0 BEADMP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925603466 646355831 /nfs/dbraw/zinc/35/58/31/646355831.db2.gz BYHCUWYJQDXFNX-JHJVBQTASA-N 2 1 222.376 2.439 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)o1 ZINC000925606216 646357586 /nfs/dbraw/zinc/35/75/86/646357586.db2.gz MGDDDLMUJXPNDX-AWEZNQCLSA-N 2 1 248.370 2.395 20 0 BEADMP c1coc(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000925612995 646361984 /nfs/dbraw/zinc/36/19/84/646361984.db2.gz WCNIQQNECOLLDO-ZDUSSCGKSA-N 2 1 234.343 2.086 20 0 BEADMP C1=C(C[NH2+][C@H]2CC[NH2+]C23CCC3)CCCC1 ZINC000925681900 646408298 /nfs/dbraw/zinc/40/82/98/646408298.db2.gz YNLDIQVGRRTZSM-ZDUSSCGKSA-N 2 1 220.360 2.361 20 0 BEADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925694919 646420355 /nfs/dbraw/zinc/42/03/55/646420355.db2.gz VAAZLKINNVNBJF-CYDGBPFRSA-N 2 1 210.365 2.009 20 0 BEADMP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ncc[nH]1 ZINC000925699430 646422811 /nfs/dbraw/zinc/42/28/11/646422811.db2.gz ONPSHLDSZTZPMJ-WDEREUQCSA-N 2 1 244.342 2.280 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000925706275 646430459 /nfs/dbraw/zinc/43/04/59/646430459.db2.gz MSQNGNQCDAFLDT-SAXRGWBVSA-N 2 1 222.376 2.153 20 0 BEADMP CC1(C)C[C@]1(C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925707043 646430512 /nfs/dbraw/zinc/43/05/12/646430512.db2.gz NAYUWYWGTFIWLX-JQWIXIFHSA-N 2 1 208.349 2.049 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000925706273 646431081 /nfs/dbraw/zinc/43/10/81/646431081.db2.gz MSQNGNQCDAFLDT-PYJNHQTQSA-N 2 1 222.376 2.153 20 0 BEADMP c1coc(CCC[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925715309 646440304 /nfs/dbraw/zinc/44/03/04/646440304.db2.gz GMHUTUQZKUGADF-CYBMUJFWSA-N 2 1 234.343 2.086 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCC[C@@H]1C=CCC1 ZINC000925731895 646456528 /nfs/dbraw/zinc/45/65/28/646456528.db2.gz VVQLHXRADDBQAR-MJBXVCDLSA-N 2 1 222.376 2.463 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)CC(F)F ZINC000925733914 646458076 /nfs/dbraw/zinc/45/80/76/646458076.db2.gz MZJOWAQCRCWMTA-NXEZZACHSA-N 2 1 234.334 2.255 20 0 BEADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000925774061 646472723 /nfs/dbraw/zinc/47/27/23/646472723.db2.gz REUOIMGFXHXUII-DGCLKSJQSA-N 2 1 249.358 2.159 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000925814733 646491762 /nfs/dbraw/zinc/49/17/62/646491762.db2.gz PHFPRWWGSSKXTD-KZVDOYCCSA-N 2 1 233.359 2.222 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000925814731 646492790 /nfs/dbraw/zinc/49/27/90/646492790.db2.gz PHFPRWWGSSKXTD-CZXHOFHRSA-N 2 1 233.359 2.222 20 0 BEADMP Fc1cccc(C2(C[NH2+][C@H]3CC[NH2+]C3)CCC2)c1 ZINC000925832965 646503060 /nfs/dbraw/zinc/50/30/60/646503060.db2.gz PEVZGZTYZUTGPZ-AWEZNQCLSA-N 2 1 248.345 2.199 20 0 BEADMP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccco1 ZINC000925844141 646507699 /nfs/dbraw/zinc/50/76/99/646507699.db2.gz WGMAPFYNVLOJFX-IACUBPJLSA-N 2 1 234.343 2.462 20 0 BEADMP CCC[C@H](O)CC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000925856611 646511066 /nfs/dbraw/zinc/51/10/66/646511066.db2.gz JZFANHMKYTZZQQ-TUKIKUTGSA-N 2 1 248.370 2.272 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CCC=CCC1 ZINC000925879608 646528915 /nfs/dbraw/zinc/52/89/15/646528915.db2.gz AOCKOFQSPNGFEZ-JSGCOSHPSA-N 2 1 222.376 2.463 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CCC=CCC1 ZINC000925879609 646529595 /nfs/dbraw/zinc/52/95/95/646529595.db2.gz AOCKOFQSPNGFEZ-OCCSQVGLSA-N 2 1 222.376 2.463 20 0 BEADMP CSCCCCC[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926215479 646597433 /nfs/dbraw/zinc/59/74/33/646597433.db2.gz SEYMJZNYVHHHAH-QWHCGFSZSA-N 2 1 242.432 2.204 20 0 BEADMP CSCCCCC[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926215479 646597438 /nfs/dbraw/zinc/59/74/38/646597438.db2.gz SEYMJZNYVHHHAH-QWHCGFSZSA-N 2 1 242.432 2.204 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCC(C)(F)F)C1 ZINC000718570221 711661296 /nfs/dbraw/zinc/66/12/96/711661296.db2.gz JCHYXXJKYSYPRX-NSHDSACASA-N 2 1 234.334 2.353 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000396584572 711702002 /nfs/dbraw/zinc/70/20/02/711702002.db2.gz GZIPDPUSTJDSRJ-DCAQKATOSA-N 2 1 232.318 2.152 20 0 BEADMP CC(C)CSCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925625021 711705497 /nfs/dbraw/zinc/70/54/97/711705497.db2.gz FUAKYIGCAAOZLT-GFCCVEGCSA-N 2 1 242.432 2.250 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@]2(C)CC2(C)C)CC1 ZINC000701983252 712034784 /nfs/dbraw/zinc/03/47/84/712034784.db2.gz HBWHAVANGWLPGH-ZDUSSCGKSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCC1CCC1)C2 ZINC000702128204 712039644 /nfs/dbraw/zinc/03/96/44/712039644.db2.gz UGXQYZPDMFKUTE-UONOGXRCSA-N 2 1 222.376 2.108 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)C1(Cl)CC1 ZINC000702361963 712048336 /nfs/dbraw/zinc/04/83/36/712048336.db2.gz VWJPXGZKYWXBCE-LLVKDONJSA-N 2 1 232.799 2.466 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCC3(CC3)CC2)C1 ZINC000702524651 712054184 /nfs/dbraw/zinc/05/41/84/712054184.db2.gz HPPBEXDFAIENMR-QWHCGFSZSA-N 2 1 222.376 2.380 20 0 BEADMP C[NH2+]CC[N@@H+](C)C[C@H](C)CC(C)(C)C ZINC000708272031 712185073 /nfs/dbraw/zinc/18/50/73/712185073.db2.gz AABCKWBYAYYSNH-LLVKDONJSA-N 2 1 200.370 2.210 20 0 BEADMP CC1(C)CO[C@H](C[N@H+]2CCCC[C@H]2CC[NH3+])C1 ZINC000708326005 712186932 /nfs/dbraw/zinc/18/69/32/712186932.db2.gz ZBTPOEPRXBBSNA-STQMWFEESA-N 2 1 240.391 2.005 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1CC(C)(C)CO1 ZINC000708334748 712188396 /nfs/dbraw/zinc/18/83/96/712188396.db2.gz AHFNBHAANXHZAI-CHWSQXEVSA-N 2 1 242.407 2.107 20 0 BEADMP CC(C)(C)[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000708442343 712194733 /nfs/dbraw/zinc/19/47/33/712194733.db2.gz OXNRMGJIBVHLLR-RWMBFGLXSA-N 2 1 224.392 2.482 20 0 BEADMP C[NH2+][C@H]1CC[N@H+](C[C@@H](C)CC(C)(C)C)C1 ZINC000709130695 712209934 /nfs/dbraw/zinc/20/99/34/712209934.db2.gz VTKIEAGPDKIXLY-RYUDHWBXSA-N 2 1 212.381 2.352 20 0 BEADMP C[NH2+][C@H]1CC[N@@H+](C[C@@H](C)CC(C)(C)C)C1 ZINC000709130695 712209935 /nfs/dbraw/zinc/20/99/35/712209935.db2.gz VTKIEAGPDKIXLY-RYUDHWBXSA-N 2 1 212.381 2.352 20 0 BEADMP C[N@@H+](C[C@@H]1CC(C)(C)OC1(C)C)C1CC([NH3+])C1 ZINC000709702365 712216075 /nfs/dbraw/zinc/21/60/75/712216075.db2.gz MZSVBXPEYHYKGS-UNXYVOJBSA-N 2 1 240.391 2.002 20 0 BEADMP Cc1cncc(C[N@@H+](C)CCCCCC[NH3+])c1 ZINC000710706703 712254817 /nfs/dbraw/zinc/25/48/17/712254817.db2.gz XJDALMAEWPYMJN-UHFFFAOYSA-N 2 1 235.375 2.341 20 0 BEADMP FC[C@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000711440734 712301004 /nfs/dbraw/zinc/30/10/04/712301004.db2.gz FCTQBAYWJPTYNG-OLZOCXBDSA-N 2 1 228.355 2.058 20 0 BEADMP C[C@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)CCS1 ZINC000379545347 712387843 /nfs/dbraw/zinc/38/78/43/712387843.db2.gz YOWUKECNSUZYDY-QWHCGFSZSA-N 2 1 242.432 2.204 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712748926 712448740 /nfs/dbraw/zinc/44/87/40/712448740.db2.gz ICCCPZAGGNXURS-RUZUBIRVSA-N 2 1 222.376 2.153 20 0 BEADMP C=C/C=C/CC[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000713737164 712470649 /nfs/dbraw/zinc/47/06/49/712470649.db2.gz ZSNTWEOBNXZUKP-IHVVCDCBSA-N 2 1 208.349 2.050 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@H]1CCCS1 ZINC000715656992 712529855 /nfs/dbraw/zinc/52/98/55/712529855.db2.gz ILGHXRHUSLGXFB-QJPTWQEYSA-N 2 1 228.405 2.002 20 0 BEADMP CC(C)C[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037485327 712650921 /nfs/dbraw/zinc/65/09/21/712650921.db2.gz LVIOGPRFNAMSPW-OLZOCXBDSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000037485281 712650963 /nfs/dbraw/zinc/65/09/63/712650963.db2.gz PMMGYGRRPBRKBX-JSGCOSHPSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](C[NH2+][C@H]1CC[C@@H]1C)[NH+]1CCCC1 ZINC000379999683 712651647 /nfs/dbraw/zinc/65/16/47/712651647.db2.gz LYDIHPXVSUMMQO-XQQFMLRXSA-N 2 1 210.365 2.249 20 0 BEADMP CSCC[C@H](C)[N@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000389676461 712689768 /nfs/dbraw/zinc/68/97/68/712689768.db2.gz CNOYPELEAQNNAW-IUCAKERBSA-N 2 1 240.363 2.042 20 0 BEADMP CSCC[C@H](C)[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000389676461 712689769 /nfs/dbraw/zinc/68/97/69/712689769.db2.gz CNOYPELEAQNNAW-IUCAKERBSA-N 2 1 240.363 2.042 20 0 BEADMP C(C1CCCC1)[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000720905514 712877001 /nfs/dbraw/zinc/87/70/01/712877001.db2.gz ZFBLURCNELDSJW-CHWSQXEVSA-N 2 1 208.349 2.003 20 0 BEADMP C(C1CCCC1)[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000720905514 712877003 /nfs/dbraw/zinc/87/70/03/712877003.db2.gz ZFBLURCNELDSJW-CHWSQXEVSA-N 2 1 208.349 2.003 20 0 BEADMP C[NH+](C)CCC[N@@H+](C)CCc1ccc(F)cc1 ZINC000265243570 1166425278 /nfs/dbraw/zinc/42/52/78/1166425278.db2.gz LYEHALDDZWWFAY-UHFFFAOYSA-N 2 1 238.350 2.252 20 0 BEADMP CC(C)[C@H](C[NH2+][C@H]1CC[C@@H]1C)[NH+]1CCCC1 ZINC000380604210 712901798 /nfs/dbraw/zinc/90/17/98/712901798.db2.gz WCIMJQJDANTJDE-IHRRRGAJSA-N 2 1 224.392 2.495 20 0 BEADMP CC/C=C\C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000384830622 710998892 /nfs/dbraw/zinc/99/88/92/710998892.db2.gz GTVIBDOPYJZRDY-XQENQYBNSA-N 2 1 208.349 2.167 20 0 BEADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000383994982 710988222 /nfs/dbraw/zinc/98/82/22/710988222.db2.gz AATPGSLGIGAVAH-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP c1cncc([C@H]2CCC[N@H+]2CCC[NH2+]C2CC2)c1 ZINC000384590133 710993892 /nfs/dbraw/zinc/99/38/92/710993892.db2.gz DGAJLQVVDLSQHW-OAHLLOKOSA-N 2 1 245.370 2.361 20 0 BEADMP c1cncc([C@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)c1 ZINC000384590133 710993895 /nfs/dbraw/zinc/99/38/95/710993895.db2.gz DGAJLQVVDLSQHW-OAHLLOKOSA-N 2 1 245.370 2.361 20 0 BEADMP c1cncc([C@@H]2CCC[N@H+]2CCC[NH2+]C2CC2)c1 ZINC000384590131 710994586 /nfs/dbraw/zinc/99/45/86/710994586.db2.gz DGAJLQVVDLSQHW-HNNXBMFYSA-N 2 1 245.370 2.361 20 0 BEADMP c1cncc([C@@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)c1 ZINC000384590131 710994591 /nfs/dbraw/zinc/99/45/91/710994591.db2.gz DGAJLQVVDLSQHW-HNNXBMFYSA-N 2 1 245.370 2.361 20 0 BEADMP Cc1cccc(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c1 ZINC000385555998 711014649 /nfs/dbraw/zinc/01/46/49/711014649.db2.gz YHHOCVURTVCOFY-GVRJEKJASA-N 2 1 242.366 2.081 20 0 BEADMP [NH3+][C@H](CC(F)F)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000380747780 712902748 /nfs/dbraw/zinc/90/27/48/712902748.db2.gz SZKMGAHVRQWZDP-AXFHLTTASA-N 2 1 232.318 2.233 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CC[C@@H]1C ZINC000389869001 711093455 /nfs/dbraw/zinc/09/34/55/711093455.db2.gz IIDFIMMUBBCNDG-AVGNSLFASA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CC[C@@H]1C ZINC000389869001 711093457 /nfs/dbraw/zinc/09/34/57/711093457.db2.gz IIDFIMMUBBCNDG-AVGNSLFASA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H]1C ZINC000389869003 711094265 /nfs/dbraw/zinc/09/42/65/711094265.db2.gz IIDFIMMUBBCNDG-RWMBFGLXSA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H]1C ZINC000389869003 711094269 /nfs/dbraw/zinc/09/42/69/711094269.db2.gz IIDFIMMUBBCNDG-RWMBFGLXSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1C[N@@H+](CCCC(C)(F)F)CC[C@H]1[NH3+] ZINC000390067677 711104664 /nfs/dbraw/zinc/10/46/64/711104664.db2.gz DIHZGKAVIFLIAG-NXEZZACHSA-N 2 1 220.307 2.091 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000390434847 711116059 /nfs/dbraw/zinc/11/60/59/711116059.db2.gz RMOYKUYMULZTEA-BJJPWKGXSA-N 2 1 224.392 2.493 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000390434847 711116061 /nfs/dbraw/zinc/11/60/61/711116061.db2.gz RMOYKUYMULZTEA-BJJPWKGXSA-N 2 1 224.392 2.493 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCC2CC2)C1 ZINC000394481656 711192486 /nfs/dbraw/zinc/19/24/86/711192486.db2.gz DVLCNDLIHKUDQG-CYBMUJFWSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000396570682 711352889 /nfs/dbraw/zinc/35/28/89/711352889.db2.gz LESRLRDMRVBBSK-SDDRHHMPSA-N 2 1 228.405 2.002 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000396552654 711353064 /nfs/dbraw/zinc/35/30/64/711353064.db2.gz PHEQUDJHQQWQSG-ZFWWWQNUSA-N 2 1 232.371 2.349 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccccc1F ZINC000396539648 711353481 /nfs/dbraw/zinc/35/34/81/711353481.db2.gz ACEJQUKJAVSSPS-RISCZKNCSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000396601526 711353496 /nfs/dbraw/zinc/35/34/96/711353496.db2.gz XPNMONIIVIRJJS-SDDRHHMPSA-N 2 1 228.405 2.002 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000396547181 711353541 /nfs/dbraw/zinc/35/35/41/711353541.db2.gz CPTWGGJXMBRUDG-BXUZGUMPSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1Cc2ccccc21 ZINC000396564323 711354387 /nfs/dbraw/zinc/35/43/87/711354387.db2.gz UZCMVLIBFLMCEQ-LNSITVRQSA-N 2 1 230.355 2.056 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000396613895 711356536 /nfs/dbraw/zinc/35/65/36/711356536.db2.gz KYPBIISCIZTRPQ-GXSJLCMTSA-N 2 1 232.318 2.294 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000396605735 711358707 /nfs/dbraw/zinc/35/87/07/711358707.db2.gz ZCBMXIFYUPHKHP-RISCZKNCSA-N 2 1 236.334 2.098 20 0 BEADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000399143543 711421873 /nfs/dbraw/zinc/42/18/73/711421873.db2.gz CNVXJPQJMMCOLJ-OPRDCNLKSA-N 2 1 220.307 2.089 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396662562 711362628 /nfs/dbraw/zinc/36/26/28/711362628.db2.gz OKANJBCXBRHBHB-ZDEQEGDKSA-N 2 1 210.365 2.295 20 0 BEADMP CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000396716188 711366650 /nfs/dbraw/zinc/36/66/50/711366650.db2.gz OLQONOCSKKREDJ-XQHKEYJVSA-N 2 1 242.432 2.391 20 0 BEADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396725678 711368658 /nfs/dbraw/zinc/36/86/58/711368658.db2.gz VYJXRHSHARTTLC-XQHKEYJVSA-N 2 1 210.365 2.153 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000723105596 711503253 /nfs/dbraw/zinc/50/32/53/711503253.db2.gz FOZJTOYLAOWCMO-OLZOCXBDSA-N 2 1 222.376 2.251 20 0 BEADMP CO[C@@H](C[N@H+]1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000382366503 711503352 /nfs/dbraw/zinc/50/33/52/711503352.db2.gz XZADMMOQHNPRKP-HIFRSBDPSA-N 2 1 248.370 2.045 20 0 BEADMP C(CC1CC1)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000714998309 711529573 /nfs/dbraw/zinc/52/95/73/711529573.db2.gz FYCLRGAEUKYYSV-KGLIPLIRSA-N 2 1 222.376 2.251 20 0 BEADMP C(CC1CC1)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000714998309 711529574 /nfs/dbraw/zinc/52/95/74/711529574.db2.gz FYCLRGAEUKYYSV-KGLIPLIRSA-N 2 1 222.376 2.251 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1C ZINC000723670467 711532996 /nfs/dbraw/zinc/53/29/96/711532996.db2.gz SNMFTLVJICEKDX-CQSZACIVSA-N 2 1 232.371 2.474 20 0 BEADMP COCc1cccc(C[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000723690526 711533862 /nfs/dbraw/zinc/53/38/62/711533862.db2.gz QVSBAXMNTQOUDZ-ZDUSSCGKSA-N 2 1 248.370 2.004 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000723713935 711535537 /nfs/dbraw/zinc/53/55/37/711535537.db2.gz XSYUVDCQQFZHEX-IJVDHGTGSA-N 2 1 230.355 2.371 20 0 BEADMP Cc1cc(C)nc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000723877631 711542363 /nfs/dbraw/zinc/54/23/63/711542363.db2.gz XDTPCUYTHGCNKI-QWHCGFSZSA-N 2 1 233.359 2.010 20 0 BEADMP Cc1cc(C)nc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000723877631 711542365 /nfs/dbraw/zinc/54/23/65/711542365.db2.gz XDTPCUYTHGCNKI-QWHCGFSZSA-N 2 1 233.359 2.010 20 0 BEADMP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723902693 711544906 /nfs/dbraw/zinc/54/49/06/711544906.db2.gz YQOMVMRLDGLYPN-DGCLKSJQSA-N 2 1 212.381 2.339 20 0 BEADMP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723902417 711544931 /nfs/dbraw/zinc/54/49/31/711544931.db2.gz XQCBAUOTMHZQTN-CHWSQXEVSA-N 2 1 212.381 2.339 20 0 BEADMP Cc1cccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000723908860 711545175 /nfs/dbraw/zinc/54/51/75/711545175.db2.gz LBMDHYYFDLQOQJ-UKRRQHHQSA-N 2 1 232.371 2.412 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCC1CC=CC1 ZINC000724130643 711563650 /nfs/dbraw/zinc/56/36/50/711563650.db2.gz IWHIFOKWKFIZDN-WCQYABFASA-N 2 1 208.349 2.073 20 0 BEADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)CCCCCCC[NH3+] ZINC000724205275 711569363 /nfs/dbraw/zinc/56/93/63/711569363.db2.gz ADUPICYPVHOILN-QWHCGFSZSA-N 2 1 228.380 2.005 20 0 BEADMP CC(C)[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000252868839 711651142 /nfs/dbraw/zinc/65/11/42/711651142.db2.gz RRBARWFKRLEQNM-KGLIPLIRSA-N 2 1 224.392 2.354 20 0 BEADMP c1cc(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)co1 ZINC000925712144 711711796 /nfs/dbraw/zinc/71/17/96/711711796.db2.gz WDMIIIBCSDWCAZ-ZDUSSCGKSA-N 2 1 234.343 2.086 20 0 BEADMP CC(C)(C)CC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000335265168 711721701 /nfs/dbraw/zinc/72/17/01/711721701.db2.gz GEPPBOMLESHETG-CYBMUJFWSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@H](c1ccncc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257662241 711724977 /nfs/dbraw/zinc/72/49/77/711724977.db2.gz CCFJQVFDZZJLNH-ZDUSSCGKSA-N 2 1 245.370 2.218 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C2CC(SC)C2)[C@@H](C)C1 ZINC000925170340 711786484 /nfs/dbraw/zinc/78/64/84/711786484.db2.gz MPAZCTVLTBBWCJ-WTIISPKJSA-N 2 1 242.432 2.200 20 0 BEADMP CSC[C@@H]1CCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000700271378 711988806 /nfs/dbraw/zinc/98/88/06/711988806.db2.gz AVROYTOTEGKLJQ-STQMWFEESA-N 2 1 242.432 2.204 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@@]2(C)CC2(C)C)CC1 ZINC000701983249 712034306 /nfs/dbraw/zinc/03/43/06/712034306.db2.gz HBWHAVANGWLPGH-CYBMUJFWSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CC2(C)C)CC[N@H+]1C ZINC000701980776 712034384 /nfs/dbraw/zinc/03/43/84/712034384.db2.gz JZWZZYPDMXUBJA-DYEKYZERSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)[C@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000703487090 712076822 /nfs/dbraw/zinc/07/68/22/712076822.db2.gz JHDNJNWIOFSCOQ-FRRDWIJNSA-N 2 1 210.365 2.234 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)s1 ZINC000703538438 712077858 /nfs/dbraw/zinc/07/78/58/712077858.db2.gz JWCVWNIRVQHWNI-WCQYABFASA-N 2 1 236.384 2.098 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000703548590 712078850 /nfs/dbraw/zinc/07/88/50/712078850.db2.gz AHSJPWCKPVBOBZ-LSDHHAIUSA-N 2 1 230.355 2.036 20 0 BEADMP CC1(C)CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000703796753 712087449 /nfs/dbraw/zinc/08/74/49/712087449.db2.gz KQWOLCLOCISIJA-YHWZYXNKSA-N 2 1 222.376 2.391 20 0 BEADMP CCCCCC[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000705427791 712131445 /nfs/dbraw/zinc/13/14/45/712131445.db2.gz XGQQELFVIJMWER-UONOGXRCSA-N 2 1 242.407 2.002 20 0 BEADMP CCCCCC[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000705427791 712131446 /nfs/dbraw/zinc/13/14/46/712131446.db2.gz XGQQELFVIJMWER-UONOGXRCSA-N 2 1 242.407 2.002 20 0 BEADMP C[C@H]1CCCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000705575810 712133453 /nfs/dbraw/zinc/13/34/53/712133453.db2.gz DXSJJZKYPKTLQJ-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@H]1CCCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000705575804 712133478 /nfs/dbraw/zinc/13/34/78/712133478.db2.gz DXSJJZKYPKTLQJ-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CCCC12CC2 ZINC000706297750 712144121 /nfs/dbraw/zinc/14/41/21/712144121.db2.gz LVDUEGJTAVVGRI-YNEHKIRRSA-N 2 1 222.376 2.297 20 0 BEADMP CC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)[C@H](C)C(C)C ZINC000706480997 712147398 /nfs/dbraw/zinc/14/73/98/712147398.db2.gz NVXUFOSJNOKPMN-UPJWGTAASA-N 2 1 212.381 2.208 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@H]1CC=CCC1 ZINC000706881137 712158341 /nfs/dbraw/zinc/15/83/41/712158341.db2.gz NMENCDPCSPJBDH-MJBXVCDLSA-N 2 1 222.376 2.463 20 0 BEADMP CCC[C@@H]1C[N@@H+](CCCCCC[NH3+])CCO1 ZINC000708921876 712203456 /nfs/dbraw/zinc/20/34/56/712203456.db2.gz HNJGAYJXDVKMET-CYBMUJFWSA-N 2 1 228.380 2.006 20 0 BEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CCCC1)C2 ZINC000709824925 712228836 /nfs/dbraw/zinc/22/88/36/712228836.db2.gz GWDOSLWLFZKUML-IHRRRGAJSA-N 2 1 222.376 2.378 20 0 BEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCc1ccccc1)C2 ZINC000709842179 712229283 /nfs/dbraw/zinc/22/92/83/712229283.db2.gz KMIKMPRUHUCJQS-XHSDSOJGSA-N 2 1 244.382 2.431 20 0 BEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CCC(F)(F)C1)C2 ZINC000709843664 712229349 /nfs/dbraw/zinc/22/93/49/712229349.db2.gz NKROAILBWKIFON-RHYQMDGZSA-N 2 1 244.329 2.233 20 0 BEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CCC(F)(F)C1)C2 ZINC000709843669 712229487 /nfs/dbraw/zinc/22/94/87/712229487.db2.gz NKROAILBWKIFON-YFKTTZPYSA-N 2 1 244.329 2.233 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])CC[C@H]1CCCCO1 ZINC000710800739 712257467 /nfs/dbraw/zinc/25/74/67/712257467.db2.gz XUBXIKAWYKFHOI-CQSZACIVSA-N 2 1 242.407 2.397 20 0 BEADMP C[C@@]1(C[N@H+]2CCC[C@H](CF)C2)CCC[NH2+]C1 ZINC000711420183 712299012 /nfs/dbraw/zinc/29/90/12/712299012.db2.gz XIPXAVXIPUFLFF-CHWSQXEVSA-N 2 1 228.355 2.058 20 0 BEADMP C[C@]1(C[N@H+]2CCC[C@H](CF)C2)CCC[NH2+]C1 ZINC000711420184 712299156 /nfs/dbraw/zinc/29/91/56/712299156.db2.gz XIPXAVXIPUFLFF-OLZOCXBDSA-N 2 1 228.355 2.058 20 0 BEADMP FC[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000711442780 712300548 /nfs/dbraw/zinc/30/05/48/712300548.db2.gz JNHYNIUMURYHCL-ZDUSSCGKSA-N 2 1 228.355 2.058 20 0 BEADMP FC[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000711444804 712300905 /nfs/dbraw/zinc/30/09/05/712300905.db2.gz RBAGMAGMPGNHIT-CHWSQXEVSA-N 2 1 228.355 2.058 20 0 BEADMP FC[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000711440735 712300928 /nfs/dbraw/zinc/30/09/28/712300928.db2.gz FCTQBAYWJPTYNG-QWHCGFSZSA-N 2 1 228.355 2.058 20 0 BEADMP CC[N@H+]1CC[C@@H]1CNc1cc[nH+]c2ccccc12 ZINC000712594796 712436346 /nfs/dbraw/zinc/43/63/46/712436346.db2.gz MIXQZSRHFHXZSW-GFCCVEGCSA-N 2 1 241.338 2.163 20 0 BEADMP CC1(C)CC[NH2+]CC[N@@H+]1CCOc1ccccc1 ZINC000712560330 712446007 /nfs/dbraw/zinc/44/60/07/712446007.db2.gz AWKYGLHPPIBVLC-UHFFFAOYSA-N 2 1 248.370 2.139 20 0 BEADMP CC1(C)CC[NH2+]CC[N@H+]1CCOc1ccccc1 ZINC000712560330 712446008 /nfs/dbraw/zinc/44/60/08/712446008.db2.gz AWKYGLHPPIBVLC-UHFFFAOYSA-N 2 1 248.370 2.139 20 0 BEADMP C(C[N@H+]1CC[NH2+]CCC12CCC2)C1CCC1 ZINC000713265336 712457246 /nfs/dbraw/zinc/45/72/46/712457246.db2.gz YNUAVGPZXYLIKM-UHFFFAOYSA-N 2 1 222.376 2.395 20 0 BEADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@@H](CC[NH3+])C2)O1 ZINC000714339378 712482680 /nfs/dbraw/zinc/48/26/80/712482680.db2.gz SHVLJHFDPXOIEG-CHWSQXEVSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)O2)CC[C@H]1[NH3+] ZINC000714368282 712483800 /nfs/dbraw/zinc/48/38/00/712483800.db2.gz LXBMOZOZVGYZEX-FRRDWIJNSA-N 2 1 240.391 2.003 20 0 BEADMP CC(C)[C@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000036787574 712495419 /nfs/dbraw/zinc/49/54/19/712495419.db2.gz KANUUVKIWHKYSK-LBPRGKRZSA-N 2 1 200.370 2.482 20 0 BEADMP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000714921269 712499969 /nfs/dbraw/zinc/49/99/69/712499969.db2.gz XCBZRUYZNAHTAZ-QPSCCSFWSA-N 2 1 234.387 2.106 20 0 BEADMP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000714921269 712499971 /nfs/dbraw/zinc/49/99/71/712499971.db2.gz XCBZRUYZNAHTAZ-QPSCCSFWSA-N 2 1 234.387 2.106 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000714851917 712501784 /nfs/dbraw/zinc/50/17/84/712501784.db2.gz RUMAFGFFKNOOJS-RDBSUJKOSA-N 2 1 222.376 2.106 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000714851917 712501785 /nfs/dbraw/zinc/50/17/85/712501785.db2.gz RUMAFGFFKNOOJS-RDBSUJKOSA-N 2 1 222.376 2.106 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC[C@@H]3C[C@H]3C3CC3)C[C@H]21 ZINC000714856066 712502048 /nfs/dbraw/zinc/50/20/48/712502048.db2.gz ARNQLCQEWQEYMJ-IBEHDNSVSA-N 2 1 248.414 2.482 20 0 BEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC000715545406 712527068 /nfs/dbraw/zinc/52/70/68/712527068.db2.gz WOMJTEHJXITITK-GHMZBOCLSA-N 2 1 239.388 2.106 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@H]1CCCS1 ZINC000715657001 712529871 /nfs/dbraw/zinc/52/98/71/712529871.db2.gz ILGHXRHUSLGXFB-TUAOUCFPSA-N 2 1 228.405 2.002 20 0 BEADMP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000716639560 712568355 /nfs/dbraw/zinc/56/83/55/712568355.db2.gz VZPXEEGEBCECHF-VJQRDGCPSA-N 2 1 248.414 2.495 20 0 BEADMP C[C@@H]1CCCCC[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000379989578 712644542 /nfs/dbraw/zinc/64/45/42/712644542.db2.gz WTQUXDIAJIKJDA-NXEZZACHSA-N 2 1 220.307 2.233 20 0 BEADMP C[C@@H]1CCCCC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000379989578 712644543 /nfs/dbraw/zinc/64/45/43/712644543.db2.gz WTQUXDIAJIKJDA-NXEZZACHSA-N 2 1 220.307 2.233 20 0 BEADMP C[C@H]([NH2+]CC[NH3+])c1ccc2ccccc2c1 ZINC000037712388 712744967 /nfs/dbraw/zinc/74/49/67/712744967.db2.gz PJXONENKPSVFOR-NSHDSACASA-N 2 1 214.312 2.449 20 0 BEADMP c1ccc([C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000250803532 712834960 /nfs/dbraw/zinc/83/49/60/712834960.db2.gz GMSNDDHMMIXEQL-GOEBONIOSA-N 2 1 244.382 2.476 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720658021 712860865 /nfs/dbraw/zinc/86/08/65/712860865.db2.gz QXZQGFANMWHGIB-CBBWQLFWSA-N 2 1 236.403 2.354 20 0 BEADMP [NH3+]C[C@@H]1C[N@@H+](CC2CC=CC2)C[C@@H]1C(F)(F)F ZINC000720878442 712873032 /nfs/dbraw/zinc/87/30/32/712873032.db2.gz SRFYJVGKYQQGQN-MNOVXSKESA-N 2 1 248.292 2.022 20 0 BEADMP CCCCCC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000720902210 712875964 /nfs/dbraw/zinc/87/59/64/712875964.db2.gz DVRFOCVNVHJZCV-STQMWFEESA-N 2 1 210.365 2.393 20 0 BEADMP CCCCCC[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000720902210 712875965 /nfs/dbraw/zinc/87/59/65/712875965.db2.gz DVRFOCVNVHJZCV-STQMWFEESA-N 2 1 210.365 2.393 20 0 BEADMP C(C1CCCCC1)[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000720901501 712876131 /nfs/dbraw/zinc/87/61/31/712876131.db2.gz CBAROVKYMBOSLS-UONOGXRCSA-N 2 1 222.376 2.393 20 0 BEADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C1CC(F)(F)C1 ZINC001208603615 957089776 /nfs/dbraw/zinc/08/97/76/957089776.db2.gz FXYBHFNKMDDZPC-SNVBAGLBSA-N 2 1 232.318 2.058 20 0 BEADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C1CC(F)(F)C1 ZINC001208603615 957089780 /nfs/dbraw/zinc/08/97/80/957089780.db2.gz FXYBHFNKMDDZPC-SNVBAGLBSA-N 2 1 232.318 2.058 20 0 BEADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C1CC(F)(F)C1 ZINC001208603615 957089786 /nfs/dbraw/zinc/08/97/86/957089786.db2.gz FXYBHFNKMDDZPC-SNVBAGLBSA-N 2 1 232.318 2.058 20 0 BEADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C1CC(F)(F)C1 ZINC001208603615 957089794 /nfs/dbraw/zinc/08/97/94/957089794.db2.gz FXYBHFNKMDDZPC-SNVBAGLBSA-N 2 1 232.318 2.058 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(CF)CC2)C1 ZINC001208612290 957099272 /nfs/dbraw/zinc/09/92/72/957099272.db2.gz MEUNVUVOUOVVNO-CYBMUJFWSA-N 2 1 228.355 2.010 20 0 BEADMP C[C@H]1C[N@@H+](C[C@H]2CCC[NH+](C)C2)C2(CC2)C1 ZINC001208615001 957106835 /nfs/dbraw/zinc/10/68/35/957106835.db2.gz GTUAGNCNUIDOIS-OLZOCXBDSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H]1C[NH+](C[C@H]2CCC[N@H+](C)C2)C2(CC2)C1 ZINC001208615001 957106849 /nfs/dbraw/zinc/10/68/49/957106849.db2.gz GTUAGNCNUIDOIS-OLZOCXBDSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H]1C[NH+](C[C@H]2CCC[N@@H+](C)C2)C2(CC2)C1 ZINC001208615001 957106862 /nfs/dbraw/zinc/10/68/62/957106862.db2.gz GTUAGNCNUIDOIS-OLZOCXBDSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1[nH+]ccc2[nH]ccc21 ZINC000663763900 719155789 /nfs/dbraw/zinc/15/57/89/719155789.db2.gz ITUMRTUHPBBCCF-QWRGUYRKSA-N 2 1 244.342 2.092 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403316692 958453734 /nfs/dbraw/zinc/45/37/34/958453734.db2.gz CLSLVVQFDGMQIH-ZSLBOAEBSA-N 2 1 222.376 2.153 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000300356501 959376028 /nfs/dbraw/zinc/37/60/28/959376028.db2.gz MMMVVORZNAAQQD-YIYPIFLZSA-N 2 1 222.376 2.106 20 0 BEADMP CCc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000309256908 959811324 /nfs/dbraw/zinc/81/13/24/959811324.db2.gz CLTRLSNCYUMISR-BXUZGUMPSA-N 2 1 218.344 2.171 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000309256908 959811331 /nfs/dbraw/zinc/81/13/31/959811331.db2.gz CLTRLSNCYUMISR-BXUZGUMPSA-N 2 1 218.344 2.171 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1(Cl)CC1 ZINC000695655877 960327800 /nfs/dbraw/zinc/32/78/00/960327800.db2.gz OCLSTRVJNWHJLR-TUAOUCFPSA-N 2 1 242.794 2.363 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCC3(CCC3)C2)CC[NH2+]1 ZINC000709451157 960612965 /nfs/dbraw/zinc/61/29/65/960612965.db2.gz WRKZAKOIWTZMSD-NEPJUHHUSA-N 2 1 208.349 2.003 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CC2(C)CCCC2)C[NH2+]1 ZINC000398946721 961051174 /nfs/dbraw/zinc/05/11/74/961051174.db2.gz BHFLGPNYKDAJOA-NEPJUHHUSA-N 2 1 210.365 2.297 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CCO[C@@H](C)C1 ZINC001168141953 963847836 /nfs/dbraw/zinc/84/78/36/963847836.db2.gz KNPYWDCFKWTLDR-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1CCCCC1 ZINC000822123798 963939370 /nfs/dbraw/zinc/93/93/70/963939370.db2.gz FKEVXQBYXGVUAV-CYBMUJFWSA-N 2 1 210.365 2.393 20 0 BEADMP C[C@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)CC(F)F ZINC000697716431 964503581 /nfs/dbraw/zinc/50/35/81/964503581.db2.gz KMSKEZMQKGNYSK-GUBZILKMSA-N 2 1 220.307 2.008 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC000041027833 1165761150 /nfs/dbraw/zinc/76/11/50/1165761150.db2.gz GZJFYNHSUORSOI-JSGCOSHPSA-N 2 1 216.328 2.097 20 0 BEADMP [NH3+][C@H]1CCC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC000041027833 1165761157 /nfs/dbraw/zinc/76/11/57/1165761157.db2.gz GZJFYNHSUORSOI-JSGCOSHPSA-N 2 1 216.328 2.097 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000041047305 1165777354 /nfs/dbraw/zinc/77/73/54/1165777354.db2.gz MTNNGQWCKIMBQH-OUCADQQQSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001204598067 967099316 /nfs/dbraw/zinc/09/93/16/967099316.db2.gz GCOHTKRXOYZGGR-XQQFMLRXSA-N 2 1 240.391 2.364 20 0 BEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](C)SC ZINC000253028900 1165836023 /nfs/dbraw/zinc/83/60/23/1165836023.db2.gz PQRCJFNXDVEZJB-WODVXLOZSA-N 2 1 242.432 2.343 20 0 BEADMP COc1ccsc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205110268 967360098 /nfs/dbraw/zinc/36/00/98/967360098.db2.gz QLUPPDGYUOBMOS-SNVBAGLBSA-N 2 1 240.372 2.070 20 0 BEADMP C[C@@H](CC[NH2+]Cc1ccsc1)[NH+](C)C ZINC000697872814 968050546 /nfs/dbraw/zinc/05/05/46/968050546.db2.gz RXARRLJLUDATHS-JTQLQIEISA-N 2 1 212.362 2.178 20 0 BEADMP [NH3+]C[C@@]1(F)CCCC[N@H+](CC2CCCC2)C1 ZINC001206335886 968240131 /nfs/dbraw/zinc/24/01/31/968240131.db2.gz HZMRZONFYFYKDU-ZDUSSCGKSA-N 2 1 228.355 2.330 20 0 BEADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](CC2CCCC2)C1 ZINC001206335886 968240140 /nfs/dbraw/zinc/24/01/40/968240140.db2.gz HZMRZONFYFYKDU-ZDUSSCGKSA-N 2 1 228.355 2.330 20 0 BEADMP C[N@H+]1CC[C@@H](C[NH2+]C2CCC(C)(C)CC2)C1 ZINC000070623085 1165937455 /nfs/dbraw/zinc/93/74/55/1165937455.db2.gz BCYVNKREUTVDAG-LBPRGKRZSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H](CF)C1 ZINC001207286921 968718383 /nfs/dbraw/zinc/71/83/83/968718383.db2.gz WJDRBTJZKBCBES-LBPRGKRZSA-N 2 1 230.371 2.256 20 0 BEADMP C[C@@H]1C[C@@H](C)CC[N@H+]1CC1CC[NH+](C)CC1 ZINC001207398310 968752015 /nfs/dbraw/zinc/75/20/15/968752015.db2.gz HBRQOIGDVHWSCL-QWHCGFSZSA-N 2 1 224.392 2.449 20 0 BEADMP C1C[C@@H]2[C@@H](C1)CCC[N@H+]2C1CC[NH2+]CC1 ZINC000083701141 1166114570 /nfs/dbraw/zinc/11/45/70/1166114570.db2.gz UQAKYJFFVRZJAD-WCQYABFASA-N 2 1 208.349 2.003 20 0 BEADMP C1C[C@@H]2[C@@H](C1)CCC[N@@H+]2C1CC[NH2+]CC1 ZINC000083701141 1166114575 /nfs/dbraw/zinc/11/45/75/1166114575.db2.gz UQAKYJFFVRZJAD-WCQYABFASA-N 2 1 208.349 2.003 20 0 BEADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001207436015 968769590 /nfs/dbraw/zinc/76/95/90/968769590.db2.gz RZNCDFWHZQUDPA-KBPBESRZSA-N 2 1 222.376 2.108 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000398971080 1166117368 /nfs/dbraw/zinc/11/73/68/1166117368.db2.gz WBDZXLQYWUOUOZ-ZDEQEGDKSA-N 2 1 210.365 2.295 20 0 BEADMP CC[C@H]1C[N@H+](Cc2cc(C)cc(C)n2)CC[C@H]1[NH3+] ZINC000723876596 1166145700 /nfs/dbraw/zinc/14/57/00/1166145700.db2.gz LHFNBQRJCXEPRS-DZGCQCFKSA-N 2 1 247.386 2.258 20 0 BEADMP CC[C@H]1C[N@@H+](Cc2cc(C)cc(C)n2)CC[C@H]1[NH3+] ZINC000723876596 1166145701 /nfs/dbraw/zinc/14/57/01/1166145701.db2.gz LHFNBQRJCXEPRS-DZGCQCFKSA-N 2 1 247.386 2.258 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]CCc2cccs2)C[NH2+]1 ZINC000399240347 1166173788 /nfs/dbraw/zinc/17/37/88/1166173788.db2.gz INSRJERSQMHBNI-QWRGUYRKSA-N 2 1 224.373 2.021 20 0 BEADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H]2CF)CC1 ZINC001208116213 969009503 /nfs/dbraw/zinc/00/95/03/969009503.db2.gz QXAIFLHJDJVYFE-GFCCVEGCSA-N 2 1 228.355 2.152 20 0 BEADMP c1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cs1 ZINC000250177002 1166228185 /nfs/dbraw/zinc/22/81/85/1166228185.db2.gz ORVRUOUSCYOYQW-QWHCGFSZSA-N 2 1 236.384 2.322 20 0 BEADMP c1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cs1 ZINC000250177002 1166228190 /nfs/dbraw/zinc/22/81/90/1166228190.db2.gz ORVRUOUSCYOYQW-QWHCGFSZSA-N 2 1 236.384 2.322 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC001208598585 969150640 /nfs/dbraw/zinc/15/06/40/969150640.db2.gz UAXUYWJEINLQNV-UONOGXRCSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000399640130 1166249150 /nfs/dbraw/zinc/24/91/50/1166249150.db2.gz XFCSWCROQSJSNW-FRRDWIJNSA-N 2 1 224.392 2.352 20 0 BEADMP CC(C)[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208612121 969170166 /nfs/dbraw/zinc/17/01/66/969170166.db2.gz BHRAHRKCODZWFT-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208612121 969170173 /nfs/dbraw/zinc/17/01/73/969170173.db2.gz BHRAHRKCODZWFT-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[C@@H]1CCC[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC001208612121 969170178 /nfs/dbraw/zinc/17/01/78/969170178.db2.gz BHRAHRKCODZWFT-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[C@@H]1CCC[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208612121 969170184 /nfs/dbraw/zinc/17/01/84/969170184.db2.gz BHRAHRKCODZWFT-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP CCc1ccccc1C[N@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC000227676138 1166263619 /nfs/dbraw/zinc/26/36/19/1166263619.db2.gz UIZJPOXUCRNNSO-SWLSCSKDSA-N 2 1 232.371 2.418 20 0 BEADMP CCc1ccccc1C[N@@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC000227676138 1166263626 /nfs/dbraw/zinc/26/36/26/1166263626.db2.gz UIZJPOXUCRNNSO-SWLSCSKDSA-N 2 1 232.371 2.418 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CC=CCC2)CC1 ZINC000226507366 1166277877 /nfs/dbraw/zinc/27/78/77/1166277877.db2.gz QWELKUBPWAVEMT-OLZOCXBDSA-N 2 1 208.349 2.169 20 0 BEADMP CC(C)OCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169098410 969389032 /nfs/dbraw/zinc/38/90/32/969389032.db2.gz HPIIGXYXKKDYJQ-ZSOGYDGISA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@H](C)[C@H](C)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000167604750 1166382945 /nfs/dbraw/zinc/38/29/45/1166382945.db2.gz SWOANKSCHUHPSS-ZDEQEGDKSA-N 2 1 212.381 2.338 20 0 BEADMP C[N@H+](CCc1cccs1)C1CC[NH+](C)CC1 ZINC001209222416 969407391 /nfs/dbraw/zinc/40/73/91/969407391.db2.gz FJCWLFQJFNRFIX-UHFFFAOYSA-N 2 1 238.400 2.317 20 0 BEADMP C[N@@H+](CCc1cccs1)C1CC[NH+](C)CC1 ZINC001209222416 969407399 /nfs/dbraw/zinc/40/73/99/969407399.db2.gz FJCWLFQJFNRFIX-UHFFFAOYSA-N 2 1 238.400 2.317 20 0 BEADMP CCC(CC)C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC000250384066 1166394968 /nfs/dbraw/zinc/39/49/68/1166394968.db2.gz FNYHYLIXGJYPNF-YPMHNXCESA-N 2 1 212.381 2.482 20 0 BEADMP CCC(CC)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000250403787 1166395928 /nfs/dbraw/zinc/39/59/28/1166395928.db2.gz MCTJWCJWUVXKAV-AAEUAGOBSA-N 2 1 210.365 2.249 20 0 BEADMP CCC(CC)[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000250403787 1166395935 /nfs/dbraw/zinc/39/59/35/1166395935.db2.gz MCTJWCJWUVXKAV-AAEUAGOBSA-N 2 1 210.365 2.249 20 0 BEADMP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2COc3ccccc32)CC1 ZINC000250625216 1166418347 /nfs/dbraw/zinc/41/83/47/1166418347.db2.gz PZRXIONPXYWJJZ-OCCSQVGLSA-N 2 1 246.354 2.194 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2COc3ccccc32)CC1 ZINC000250625216 1166418349 /nfs/dbraw/zinc/41/83/49/1166418349.db2.gz PZRXIONPXYWJJZ-OCCSQVGLSA-N 2 1 246.354 2.194 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCC[C@@H](F)C2)CC1 ZINC001254497178 969656834 /nfs/dbraw/zinc/65/68/34/969656834.db2.gz HPJFAEOHMLAYAD-JHJVBQTASA-N 2 1 228.355 2.341 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cs1 ZINC000309054192 1166471558 /nfs/dbraw/zinc/47/15/58/1166471558.db2.gz RSWHDBQUYQVLCT-SKDRFNHKSA-N 2 1 224.373 2.226 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2CCC(C)(C)C2)CC1 ZINC001254522614 969713537 /nfs/dbraw/zinc/71/35/37/969713537.db2.gz HSIOWBZMHLIUJF-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+]1CCC[C@H]([N@@H+]2CCC(C)(C)C2)CC1 ZINC001254522614 969713551 /nfs/dbraw/zinc/71/35/51/969713551.db2.gz HSIOWBZMHLIUJF-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+]1CCC[C@H]([N@H+]2CCC(C)(C)C2)CC1 ZINC001254522614 969713556 /nfs/dbraw/zinc/71/35/56/969713556.db2.gz HSIOWBZMHLIUJF-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP C1CC[C@H]2CCC[N@H+](C3CC[NH2+]CC3)[C@@H]2C1 ZINC000036827156 1166497955 /nfs/dbraw/zinc/49/79/55/1166497955.db2.gz SXJMTCQAIMACAS-GXTWGEPZSA-N 2 1 222.376 2.393 20 0 BEADMP C1CC[C@H]2CCC[N@@H+](C3CC[NH2+]CC3)[C@@H]2C1 ZINC000036827156 1166497956 /nfs/dbraw/zinc/49/79/56/1166497956.db2.gz SXJMTCQAIMACAS-GXTWGEPZSA-N 2 1 222.376 2.393 20 0 BEADMP C1CC[C@@H]2[C@H](C1)CCC[N@@H+]2C1CC[NH2+]CC1 ZINC000036827158 1166497664 /nfs/dbraw/zinc/49/76/64/1166497664.db2.gz SXJMTCQAIMACAS-TZMCWYRMSA-N 2 1 222.376 2.393 20 0 BEADMP C1CC[C@@H]2[C@H](C1)CCC[N@H+]2C1CC[NH2+]CC1 ZINC000036827158 1166497667 /nfs/dbraw/zinc/49/76/67/1166497667.db2.gz SXJMTCQAIMACAS-TZMCWYRMSA-N 2 1 222.376 2.393 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@H](C(F)F)C2)CC1 ZINC001254525427 969722950 /nfs/dbraw/zinc/72/29/50/969722950.db2.gz IETKYSJNCQSNSZ-RYUDHWBXSA-N 2 1 246.345 2.448 20 0 BEADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@H](C(F)F)C2)CC1 ZINC001254525427 969722957 /nfs/dbraw/zinc/72/29/57/969722957.db2.gz IETKYSJNCQSNSZ-RYUDHWBXSA-N 2 1 246.345 2.448 20 0 BEADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@H](C(F)F)C2)CC1 ZINC001254525427 969722964 /nfs/dbraw/zinc/72/29/64/969722964.db2.gz IETKYSJNCQSNSZ-RYUDHWBXSA-N 2 1 246.345 2.448 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222345267 1166698847 /nfs/dbraw/zinc/69/88/47/1166698847.db2.gz KHSIMOJMQSYODL-JJXSEGSLSA-N 2 1 246.398 2.417 20 0 BEADMP CC(C)[C@H]1CCC[N@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC000252965022 1166760118 /nfs/dbraw/zinc/76/01/18/1166760118.db2.gz WWQYFFWTGKXLIQ-JHJVBQTASA-N 2 1 210.365 2.247 20 0 BEADMP CC(C)C1CC[NH+](C[C@@H]2CCCC[NH2+]2)CC1 ZINC000232539291 1166772100 /nfs/dbraw/zinc/77/21/00/1166772100.db2.gz JCHKWEDTVPAHCS-AWEZNQCLSA-N 2 1 224.392 2.497 20 0 BEADMP CCCCOCCC[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000160803051 1166803266 /nfs/dbraw/zinc/80/32/66/1166803266.db2.gz LSEVGPIEEMVWSS-AWEZNQCLSA-N 2 1 242.407 2.267 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@H](COC)C1 ZINC001255957072 970595633 /nfs/dbraw/zinc/59/56/33/970595633.db2.gz OQVBVLZDVBZQJB-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP CC[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)CCCO1 ZINC000380263341 1166849223 /nfs/dbraw/zinc/84/92/23/1166849223.db2.gz YEZJGVNXNUNBRX-OAHLLOKOSA-N 2 1 248.370 2.146 20 0 BEADMP C[N@H+]1CC[C@H](c2ccc(NC=[NH2+])cc2)C1 ZINC001167871651 1166878830 /nfs/dbraw/zinc/87/88/30/1166878830.db2.gz UGKNGAGZDFQLIE-NSHDSACASA-N 2 1 203.289 2.125 20 0 BEADMP C[C@]1([NH3+])CC[N@H+](C2CCC(C)(C)CC2)C1 ZINC000405857185 1166888411 /nfs/dbraw/zinc/88/84/11/1166888411.db2.gz OOIOJLWFIOERNB-ZDUSSCGKSA-N 2 1 210.365 2.378 20 0 BEADMP C[NH+]1CCC([NH2+]C2(C)CCCCC2)CC1 ZINC001256194937 970688743 /nfs/dbraw/zinc/68/87/43/970688743.db2.gz QFNPGUMVAGTOIC-UHFFFAOYSA-N 2 1 210.365 2.393 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCC3(CCCC3)C2)CC[NH2+]1 ZINC000304318481 1166910317 /nfs/dbraw/zinc/91/03/17/1166910317.db2.gz BWBHUZCCDWLWFP-OLZOCXBDSA-N 2 1 222.376 2.393 20 0 BEADMP CC[C@@H]1CC[C@H](C)[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000304412150 1166915437 /nfs/dbraw/zinc/91/54/37/1166915437.db2.gz YHBPBYOPSRVIBY-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cnccc1CC[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000397484494 1166994908 /nfs/dbraw/zinc/99/49/08/1166994908.db2.gz AWQUZNKLDHIDTG-OAHLLOKOSA-N 2 1 249.402 2.238 20 0 BEADMP CCSC[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001173311912 975225827 /nfs/dbraw/zinc/22/58/27/975225827.db2.gz QZDQVNBTCOLVNS-STQMWFEESA-N 2 1 242.432 2.156 20 0 BEADMP CCSC[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001173311912 975225833 /nfs/dbraw/zinc/22/58/33/975225833.db2.gz QZDQVNBTCOLVNS-STQMWFEESA-N 2 1 242.432 2.156 20 0 BEADMP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)OC ZINC000383243203 1167118027 /nfs/dbraw/zinc/11/80/27/1167118027.db2.gz ZZNMZOZREJOJPE-MCIONIFRSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)OC ZINC000383243203 1167118029 /nfs/dbraw/zinc/11/80/29/1167118029.db2.gz ZZNMZOZREJOJPE-MCIONIFRSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)OC ZINC000383243207 1167118227 /nfs/dbraw/zinc/11/82/27/1167118227.db2.gz ZZNMZOZREJOJPE-MGPQQGTHSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)OC ZINC000383243207 1167118232 /nfs/dbraw/zinc/11/82/32/1167118232.db2.gz ZZNMZOZREJOJPE-MGPQQGTHSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[C@@H](C)[N@@H+](C)C[C@H](C[NH3+])C(C)C ZINC000251355468 1167133958 /nfs/dbraw/zinc/13/39/58/1167133958.db2.gz RLLBTDJMDAJQOX-NEPJUHHUSA-N 2 1 200.370 2.338 20 0 BEADMP CCC[N@@H+](CC(C)C)[C@H]1CC[NH2+][C@H](C)C1 ZINC000308804535 1167201296 /nfs/dbraw/zinc/20/12/96/1167201296.db2.gz AGLFTHMQEWJUPQ-OLZOCXBDSA-N 2 1 212.381 2.495 20 0 BEADMP CC[N@@H+](CCNc1cc[nH+]cc1)C(C)C ZINC000309039392 1167241409 /nfs/dbraw/zinc/24/14/09/1167241409.db2.gz KIIAHOZDBJDISM-UHFFFAOYSA-N 2 1 207.321 2.224 20 0 BEADMP CC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC000309172992 1167260596 /nfs/dbraw/zinc/26/05/96/1167260596.db2.gz LTPKBFFOBJVNOX-YNEHKIRRSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C1 ZINC000309294277 1167282426 /nfs/dbraw/zinc/28/24/26/1167282426.db2.gz RBQLLJCIJUKIRH-UPJWGTAASA-N 2 1 212.381 2.480 20 0 BEADMP CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1CC[C@H]([NH3+])C1 ZINC000309294277 1167282433 /nfs/dbraw/zinc/28/24/33/1167282433.db2.gz RBQLLJCIJUKIRH-UPJWGTAASA-N 2 1 212.381 2.480 20 0 BEADMP CC(C)CCC[C@H](C)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000309374810 1167299076 /nfs/dbraw/zinc/29/90/76/1167299076.db2.gz CLHOWJJINWMKNQ-AGIUHOORSA-N 2 1 212.381 2.480 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC000215507028 1167410818 /nfs/dbraw/zinc/41/08/18/1167410818.db2.gz QWGHVWHNCNQCIH-RISCZKNCSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC000215507028 1167410821 /nfs/dbraw/zinc/41/08/21/1167410821.db2.gz QWGHVWHNCNQCIH-RISCZKNCSA-N 2 1 232.371 2.473 20 0 BEADMP C[C@H]1CC([N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C[C@H](C)C1 ZINC000310143895 1167423662 /nfs/dbraw/zinc/42/36/62/1167423662.db2.gz DUSUNTAUQCIRJV-UMVBOHGHSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@H]3CCC[C@H]32)C[NH2+]1 ZINC000251929550 1167464834 /nfs/dbraw/zinc/46/48/34/1167464834.db2.gz VEUCWUGYRDUPKE-YIYPIFLZSA-N 2 1 222.376 2.391 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C)[C@@H](C)C2)C1 ZINC000251990286 1167468599 /nfs/dbraw/zinc/46/85/99/1167468599.db2.gz ZGUMAYXONPMNFO-XDQVBPFNSA-N 2 1 224.392 2.352 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+]([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168403701 1167653424 /nfs/dbraw/zinc/65/34/24/1167653424.db2.gz JMZWNFIBOCUYSI-CABCVRRESA-N 2 1 248.345 2.106 20 0 BEADMP [NH3+][C@@H]1CCC[N@H+]([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168403701 1167653431 /nfs/dbraw/zinc/65/34/31/1167653431.db2.gz JMZWNFIBOCUYSI-CABCVRRESA-N 2 1 248.345 2.106 20 0 BEADMP FC[C@H]1[C@@H]2C[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@H]12 ZINC001232015937 1167669252 /nfs/dbraw/zinc/66/92/52/1167669252.db2.gz OQUBHWCOJVAFQE-XYYAHUGASA-N 2 1 245.301 2.210 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+]([C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000252125812 1167706111 /nfs/dbraw/zinc/70/61/11/1167706111.db2.gz LJFCAASBHKVCLA-RQJABVFESA-N 2 1 224.392 2.352 20 0 BEADMP CCC[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000386447794 1167710526 /nfs/dbraw/zinc/71/05/26/1167710526.db2.gz NOQPGYYVJCPPHF-PIGZVRMJSA-N 2 1 240.391 2.016 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001235073754 1167778647 /nfs/dbraw/zinc/77/86/47/1167778647.db2.gz VWBYIUXOKAPWBI-BYNSBNAKSA-N 2 1 234.387 2.415 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001235073754 1167778653 /nfs/dbraw/zinc/77/86/53/1167778653.db2.gz VWBYIUXOKAPWBI-BYNSBNAKSA-N 2 1 234.387 2.415 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@@H](C)C1 ZINC000310489191 1167783923 /nfs/dbraw/zinc/78/39/23/1167783923.db2.gz FNVFLWZCHCGECK-XPABHHOTSA-N 2 1 236.403 2.352 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)C[C@@H](C)C1 ZINC000310489183 1167784392 /nfs/dbraw/zinc/78/43/92/1167784392.db2.gz FNVFLWZCHCGECK-AIEDFZFUSA-N 2 1 236.403 2.352 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(C)c1 ZINC001235980810 1167803933 /nfs/dbraw/zinc/80/39/33/1167803933.db2.gz ORSAJOOVXDXXGQ-CABCVRRESA-N 2 1 230.355 2.227 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(C)c1 ZINC001235980810 1167803946 /nfs/dbraw/zinc/80/39/46/1167803946.db2.gz ORSAJOOVXDXXGQ-CABCVRRESA-N 2 1 230.355 2.227 20 0 BEADMP CC/C=C\CCC[N@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001236043961 979335065 /nfs/dbraw/zinc/33/50/65/979335065.db2.gz HBNDFKIVQOTBMG-CIUCYMIDSA-N 2 1 210.365 2.402 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+]CCOc2ccccc2)CC1 ZINC000086818956 1168310390 /nfs/dbraw/zinc/31/03/90/1168310390.db2.gz KJAUJRVMOFZSEE-CQSZACIVSA-N 2 1 248.370 2.139 20 0 BEADMP CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282121 1168324476 /nfs/dbraw/zinc/32/44/76/1168324476.db2.gz JTUSFFHWBKBKNJ-FQUUOJAGSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](C/C=C/c1ccccc1)C2 ZINC000703593983 1168394680 /nfs/dbraw/zinc/39/46/80/1168394680.db2.gz BECNUVXDCNFJMA-AUPUMLSVSA-N 2 1 242.366 2.241 20 0 BEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C/C=C/c1ccccc1)C2 ZINC000703593983 1168394685 /nfs/dbraw/zinc/39/46/85/1168394685.db2.gz BECNUVXDCNFJMA-AUPUMLSVSA-N 2 1 242.366 2.241 20 0 BEADMP CCC[NH+](CCC)CC[NH2+][C@H](C)CC ZINC000037479886 1168416052 /nfs/dbraw/zinc/41/60/52/1168416052.db2.gz HYKYDHIIIWEUIL-GFCCVEGCSA-N 2 1 200.370 2.497 20 0 BEADMP CCCCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC000037484757 1168418947 /nfs/dbraw/zinc/41/89/47/1168418947.db2.gz LJHQVZKYEOBUPH-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP CSCC[N@@H+](C)Cc1cccc2c[nH+]cn21 ZINC001238111773 980160752 /nfs/dbraw/zinc/16/07/52/980160752.db2.gz XSYIPCRCYDUYGL-UHFFFAOYSA-N 2 1 235.356 2.129 20 0 BEADMP CCC[NH+]1CCC([NH2+]C[Si](C)(C)C)CC1 ZINC000401636889 1168442581 /nfs/dbraw/zinc/44/25/81/1168442581.db2.gz FMMKUJKZGIDWPJ-UHFFFAOYSA-N 2 1 228.456 2.328 20 0 BEADMP C[C@H]1C[C@@H]([N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)CC(C)(C)C1 ZINC001246651489 1168657958 /nfs/dbraw/zinc/65/79/58/1168657958.db2.gz LTCHPNJDYNGZNY-IGQOVBAYSA-N 2 1 236.403 2.495 20 0 BEADMP CC[C@@H](C)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001201521226 983318296 /nfs/dbraw/zinc/31/82/96/983318296.db2.gz QKSYMLCVCLLEKV-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP CCCCCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001201747170 983456208 /nfs/dbraw/zinc/45/62/08/983456208.db2.gz WOVWKFWADODSEJ-KGLIPLIRSA-N 2 1 224.392 2.450 20 0 BEADMP CCCCCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001201747170 983456224 /nfs/dbraw/zinc/45/62/24/983456224.db2.gz WOVWKFWADODSEJ-KGLIPLIRSA-N 2 1 224.392 2.450 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)CCOC(C)C)CC1 ZINC001172433908 974718744 /nfs/dbraw/zinc/71/87/44/974718744.db2.gz LBVQDBZOKMCFJU-ZDUSSCGKSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@H](CC(C)C)[NH2+]C1CC[NH+](C)CC1 ZINC001172383204 974726531 /nfs/dbraw/zinc/72/65/31/974726531.db2.gz LELVXJOESBWPEY-GFCCVEGCSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H](CC(C)C)N1CCO[C@@H](C[NH+](C)C)C1 ZINC001172398731 974757248 /nfs/dbraw/zinc/75/72/48/974757248.db2.gz VOEJYCILSHYYSF-KBPBESRZSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@@H](CC(C)C)N1CCO[C@H](C[NH+](C)C)C1 ZINC001172398733 974759950 /nfs/dbraw/zinc/75/99/50/974759950.db2.gz VOEJYCILSHYYSF-UONOGXRCSA-N 2 1 242.407 2.074 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccccc1OC ZINC001331832641 974829354 /nfs/dbraw/zinc/82/93/54/974829354.db2.gz GAVVLSCUZWGNRK-VXGBXAGGSA-N 2 1 236.359 2.344 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)([NH3+])CC2)C[C@H](C)O1 ZINC001246550588 972710296 /nfs/dbraw/zinc/71/02/96/972710296.db2.gz JNKCTQURIROZRE-CRWXNKLISA-N 2 1 240.391 2.146 20 0 BEADMP C[C@@H](CC1CC1)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246566895 972817216 /nfs/dbraw/zinc/81/72/16/972817216.db2.gz JVMNQNOJMLNGTE-DYEKYZERSA-N 2 1 224.392 2.482 20 0 BEADMP CCCC[N@@H+](CCC)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246776641 973088825 /nfs/dbraw/zinc/08/88/25/973088825.db2.gz LLVZMLLBBDKXBS-LBPRGKRZSA-N 2 1 242.432 2.346 20 0 BEADMP FC(F)(F)c1c[nH+]ccc1NC1=C[NH2+]CCC1 ZINC001159107927 1169435089 /nfs/dbraw/zinc/43/50/89/1169435089.db2.gz YVQJKXSDWCEIDG-UHFFFAOYSA-N 2 1 243.232 2.159 20 0 BEADMP CCC[N@@H+](CCC[NH3+])C1CCC(OCC)CC1 ZINC001256429385 970833115 /nfs/dbraw/zinc/83/31/15/970833115.db2.gz JHQWZFHHZFAZPA-UHFFFAOYSA-N 2 1 242.407 2.395 20 0 BEADMP CC1CC([N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256623436 970886406 /nfs/dbraw/zinc/88/64/06/970886406.db2.gz PVYJTFAQSVDXSE-HPCMXSDISA-N 2 1 222.376 2.342 20 0 BEADMP CC1CC([NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256623436 970886408 /nfs/dbraw/zinc/88/64/08/970886408.db2.gz PVYJTFAQSVDXSE-HPCMXSDISA-N 2 1 222.376 2.342 20 0 BEADMP CC1CC([NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256623436 970886414 /nfs/dbraw/zinc/88/64/14/970886414.db2.gz PVYJTFAQSVDXSE-HPCMXSDISA-N 2 1 222.376 2.342 20 0 BEADMP CC(C)[N@@H+](CCC[NH3+])[C@@H](C)Cc1ccncc1 ZINC001256718422 970935781 /nfs/dbraw/zinc/93/57/81/970935781.db2.gz IPJVXKSDKPNBMT-ZDUSSCGKSA-N 2 1 235.375 2.072 20 0 BEADMP C[N@@H+](C1CC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256855133 970995686 /nfs/dbraw/zinc/99/56/86/970995686.db2.gz FBLXMKLSVSDDHN-UHFFFAOYSA-N 2 1 231.343 2.145 20 0 BEADMP CC[N@H+](C1CC1)C1CC[NH+](C(C)C)CC1 ZINC001257213146 971127919 /nfs/dbraw/zinc/12/79/19/971127919.db2.gz HTJDCSOVONTOLL-UHFFFAOYSA-N 2 1 210.365 2.344 20 0 BEADMP CC[N@@H+](C1CC1)C1CC[NH+](C(C)C)CC1 ZINC001257213146 971127930 /nfs/dbraw/zinc/12/79/30/971127930.db2.gz HTJDCSOVONTOLL-UHFFFAOYSA-N 2 1 210.365 2.344 20 0 BEADMP CC(C)C[NH+]1CCC([NH+]2CC3CC(C3)C2)CC1 ZINC001258017358 971558136 /nfs/dbraw/zinc/55/81/36/971558136.db2.gz FRLRTTCTOCXTCU-UHFFFAOYSA-N 2 1 236.403 2.449 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)C)C2 ZINC001172099780 974346280 /nfs/dbraw/zinc/34/62/80/974346280.db2.gz KELMJZGPZUVTBD-ZSBIGDGJSA-N 2 1 210.365 2.390 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)C)C2 ZINC001172099780 974346287 /nfs/dbraw/zinc/34/62/87/974346287.db2.gz KELMJZGPZUVTBD-ZSBIGDGJSA-N 2 1 210.365 2.390 20 0 BEADMP CCOC(=[NH2+])c1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC001218287363 971683263 /nfs/dbraw/zinc/68/32/63/971683263.db2.gz NGHPUXAKQFZCEP-CYBMUJFWSA-N 2 1 248.326 2.179 20 0 BEADMP CC1(C)[C@@H]2C[C@@H](n3cc[nH+]c3CCC[NH3+])C[C@@H]21 ZINC001170739130 971692301 /nfs/dbraw/zinc/69/23/01/971692301.db2.gz OQYXCBFKOFSRTH-CNDDSTCGSA-N 2 1 233.359 2.382 20 0 BEADMP CCC[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113239 974385040 /nfs/dbraw/zinc/38/50/40/974385040.db2.gz HUMLTVCUPHKAES-CLLJXQQHSA-N 2 1 210.365 2.344 20 0 BEADMP CCC[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113239 974385052 /nfs/dbraw/zinc/38/50/52/974385052.db2.gz HUMLTVCUPHKAES-CLLJXQQHSA-N 2 1 210.365 2.344 20 0 BEADMP CCC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113239 974385069 /nfs/dbraw/zinc/38/50/69/974385069.db2.gz HUMLTVCUPHKAES-CLLJXQQHSA-N 2 1 210.365 2.344 20 0 BEADMP CCC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113239 974385075 /nfs/dbraw/zinc/38/50/75/974385075.db2.gz HUMLTVCUPHKAES-CLLJXQQHSA-N 2 1 210.365 2.344 20 0 BEADMP CC[N@H+]1CCC[C@@H](Oc2cccc(C[NH3+])c2)C1 ZINC001218348458 971720990 /nfs/dbraw/zinc/72/09/90/971720990.db2.gz QQALXIFQXCEMEM-CQSZACIVSA-N 2 1 234.343 2.008 20 0 BEADMP CC(C)[N@H+]1CCC[C@@H](Oc2cccc(C[NH3+])c2)C1 ZINC001218349141 971720373 /nfs/dbraw/zinc/72/03/73/971720373.db2.gz XXIPRRVKFLQBDN-OAHLLOKOSA-N 2 1 248.370 2.397 20 0 BEADMP CC[C@H](C)OCC[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC001172317886 974525889 /nfs/dbraw/zinc/52/58/89/974525889.db2.gz VXMAZMDESUPGMM-OLZOCXBDSA-N 2 1 242.407 2.264 20 0 BEADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000310567357 971975861 /nfs/dbraw/zinc/97/58/61/971975861.db2.gz YCHLTTFHXNSNJI-CYBMUJFWSA-N 2 1 236.334 2.387 20 0 BEADMP Cc1cc2cc[nH+]c(NCC[C@@H](C)[NH3+])c2[nH]1 ZINC001170889340 972037214 /nfs/dbraw/zinc/03/72/14/972037214.db2.gz NSHRLFZSHLIRLG-MRVPVSSYSA-N 2 1 218.304 2.021 20 0 BEADMP C[C@@H]([NH3+])CCNc1cc(C2CC2)cc[nH+]1 ZINC001159773069 972105837 /nfs/dbraw/zinc/10/58/37/972105837.db2.gz UPOUWJXOHPEISJ-SECBINFHSA-N 2 1 205.305 2.108 20 0 BEADMP C[NH+]1CCc2ccc(C3=CCC[N@H+](C)C3)cc2C1 ZINC001241571739 1169730755 /nfs/dbraw/zinc/73/07/55/1169730755.db2.gz HLNHRRRDBGRFOZ-UHFFFAOYSA-N 2 1 242.366 2.393 20 0 BEADMP C[NH+]1CCC=C(c2ccc3c(c2)C[N@@H+](C)CC3)C1 ZINC001241571739 1169730762 /nfs/dbraw/zinc/73/07/62/1169730762.db2.gz HLNHRRRDBGRFOZ-UHFFFAOYSA-N 2 1 242.366 2.393 20 0 BEADMP C[NH+]1CCC=C(c2ccc3c(c2)C[N@H+](C)CC3)C1 ZINC001241571739 1169730767 /nfs/dbraw/zinc/73/07/67/1169730767.db2.gz HLNHRRRDBGRFOZ-UHFFFAOYSA-N 2 1 242.366 2.393 20 0 BEADMP CSC(C)(C)C[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246120598 972186572 /nfs/dbraw/zinc/18/65/72/972186572.db2.gz MZEDVXCSMWGUSX-QWRGUYRKSA-N 2 1 230.421 2.248 20 0 BEADMP C[NH+](C)Cc1ccc(C2=CCC[N@@H+](C)C2)cc1 ZINC001241571305 1169733667 /nfs/dbraw/zinc/73/36/67/1169733667.db2.gz WZDZYYFVRNHYNU-UHFFFAOYSA-N 2 1 230.355 2.467 20 0 BEADMP C[N@@H+]1CCC=C(c2cccn3c[nH+]cc23)C1 ZINC001241571384 1169734594 /nfs/dbraw/zinc/73/45/94/1169734594.db2.gz ZOJARVJWTNALGD-UHFFFAOYSA-N 2 1 213.284 2.053 20 0 BEADMP C[N@H+]1CCC=C(c2cccn3c[nH+]cc23)C1 ZINC001241571384 1169734601 /nfs/dbraw/zinc/73/46/01/1169734601.db2.gz ZOJARVJWTNALGD-UHFFFAOYSA-N 2 1 213.284 2.053 20 0 BEADMP CC[C@@H]1CC[C@H]([NH2+][C@]2(C)CCC[NH2+]C2)C1 ZINC001246182964 972208939 /nfs/dbraw/zinc/20/89/39/972208939.db2.gz CNVHZCQZZYDZKA-FRRDWIJNSA-N 2 1 210.365 2.297 20 0 BEADMP CC1(C)C[C@H](n2c[nH+]cc2C2CC[NH2+]CC2)CO1 ZINC000396613847 957060571 /nfs/dbraw/zinc/06/05/71/957060571.db2.gz AXOBGYNLTGWZRO-LBPRGKRZSA-N 2 1 249.358 2.090 20 0 BEADMP C[C@@H]1CC[N@H+](C[C@H]2CCC[NH+](C)C2)C[C@H]1F ZINC001208605980 957089294 /nfs/dbraw/zinc/08/92/94/957089294.db2.gz CSULTTNCSCBLHU-FRRDWIJNSA-N 2 1 228.355 2.008 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](C)C2)C[C@H]1F ZINC001208605980 957089304 /nfs/dbraw/zinc/08/93/04/957089304.db2.gz CSULTTNCSCBLHU-FRRDWIJNSA-N 2 1 228.355 2.008 20 0 BEADMP C[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](C)C2)C[C@H]1F ZINC001208605980 957089316 /nfs/dbraw/zinc/08/93/16/957089316.db2.gz CSULTTNCSCBLHU-FRRDWIJNSA-N 2 1 228.355 2.008 20 0 BEADMP C[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)C[C@H]1F ZINC001208605980 957089321 /nfs/dbraw/zinc/08/93/21/957089321.db2.gz CSULTTNCSCBLHU-FRRDWIJNSA-N 2 1 228.355 2.008 20 0 BEADMP C[C@H]1C[N@H+](C[C@H]2CCC[NH+](C)C2)C2(CC2)C1 ZINC001208615001 957106821 /nfs/dbraw/zinc/10/68/21/957106821.db2.gz GTUAGNCNUIDOIS-OLZOCXBDSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(O)cc1 ZINC001246273552 972252519 /nfs/dbraw/zinc/25/25/19/972252519.db2.gz PKVJQTMTZQVFNI-YRGRVCCFSA-N 2 1 248.370 2.226 20 0 BEADMP C[C@@H]1CC(C[N@H+]2CCC[C@H]([NH3+])CC2)C[C@@H](C)O1 ZINC000724507934 957317982 /nfs/dbraw/zinc/31/79/82/957317982.db2.gz JKLWLUYTUFTJCB-BZPMIXESSA-N 2 1 240.391 2.003 20 0 BEADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccc(C)[nH]3)C[C@H]2C1 ZINC001209576563 957514442 /nfs/dbraw/zinc/51/44/42/957514442.db2.gz YNDACPAQPULEFI-OKILXGFUSA-N 2 1 247.386 2.097 20 0 BEADMP Cc1cccc2c1CC[C@H]([NH2+]CC[NH2+]C(C)C)C2 ZINC001246455566 972323794 /nfs/dbraw/zinc/32/37/94/972323794.db2.gz XQNZAZLEFQCNMF-HNNXBMFYSA-N 2 1 246.398 2.440 20 0 BEADMP C[C@H]1CC[C@H]([N@@H+]2CCC3(CCC3)C2)C[NH2+]1 ZINC000399020583 958483849 /nfs/dbraw/zinc/48/38/49/958483849.db2.gz HUHWXJOADLRQGG-RYUDHWBXSA-N 2 1 208.349 2.003 20 0 BEADMP C[C@H]1CC[C@H]([N@H+]2CCC3(CCC3)C2)C[NH2+]1 ZINC000399020583 958483856 /nfs/dbraw/zinc/48/38/56/958483856.db2.gz HUHWXJOADLRQGG-RYUDHWBXSA-N 2 1 208.349 2.003 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H](C)C2)C1 ZINC001246497767 972358367 /nfs/dbraw/zinc/35/83/67/972358367.db2.gz RDKAVOMFGVSTFL-LPWJVIDDSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]CCc2ccsc2)C[NH2+]1 ZINC000399260707 958585633 /nfs/dbraw/zinc/58/56/33/958585633.db2.gz PQYKQSCVJHLSIK-CMPLNLGQSA-N 2 1 224.373 2.021 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCC23CCCC3)CC[NH2+]1 ZINC000707627660 958638021 /nfs/dbraw/zinc/63/80/21/958638021.db2.gz RRRVYQWPEYYIDB-NEPJUHHUSA-N 2 1 208.349 2.145 20 0 BEADMP C[C@H](c1cccs1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693593229 958907069 /nfs/dbraw/zinc/90/70/69/958907069.db2.gz UTMYMIMRGPJGOV-MXWKQRLJSA-N 2 1 224.373 2.478 20 0 BEADMP Cc1[nH+]cn(-c2cc[nH+]c(C(C)(C)C)c2)c1N ZINC001213164653 959130526 /nfs/dbraw/zinc/13/05/26/959130526.db2.gz WRAXCENFTPMECX-UHFFFAOYSA-N 2 1 230.315 2.455 20 0 BEADMP CC[C@@H](C)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222232896 972413689 /nfs/dbraw/zinc/41/36/89/972413689.db2.gz YKXBGZNFJAGNPV-CHWSQXEVSA-N 2 1 210.365 2.251 20 0 BEADMP C(C1CCC1)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222231151 972416257 /nfs/dbraw/zinc/41/62/57/972416257.db2.gz JZBUBCHFRFBDPS-ZDUSSCGKSA-N 2 1 208.349 2.005 20 0 BEADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccs2)C1 ZINC000308790755 959503676 /nfs/dbraw/zinc/50/36/76/959503676.db2.gz AYRBKWWPRPLTNP-NSHDSACASA-N 2 1 224.373 2.309 20 0 BEADMP CC(C)CCC[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000308885274 959537253 /nfs/dbraw/zinc/53/72/53/959537253.db2.gz WQMLDPACRUZCBQ-ZDUSSCGKSA-N 2 1 212.381 2.483 20 0 BEADMP CCCCC(CCCC)[N@H+]1C[C@H](N)C[C@@H](O)C1 ZINC001246537074 972474687 /nfs/dbraw/zinc/47/46/87/972474687.db2.gz AYQSKEREGIMGIM-TZMCWYRMSA-N 2 1 242.407 2.129 20 0 BEADMP CCCCC(CCCC)[N@H+]1C[C@H]([NH3+])C[C@@H](O)C1 ZINC001246537074 972474702 /nfs/dbraw/zinc/47/47/02/972474702.db2.gz AYQSKEREGIMGIM-TZMCWYRMSA-N 2 1 242.407 2.129 20 0 BEADMP CC1(C)C[NH+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140799801 960576122 /nfs/dbraw/zinc/57/61/22/960576122.db2.gz NCBFAYBUWOPZDA-UHFFFAOYSA-N 2 1 215.300 2.405 20 0 BEADMP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCSCC1 ZINC001140801644 960589372 /nfs/dbraw/zinc/58/93/72/960589372.db2.gz VEDICLUESWPCKF-UHFFFAOYSA-N 2 1 233.340 2.112 20 0 BEADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)CC1(C)COC1 ZINC001140806438 960604229 /nfs/dbraw/zinc/60/42/29/960604229.db2.gz HNPWEBSVODOIPI-UHFFFAOYSA-N 2 1 245.326 2.031 20 0 BEADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)CC1(C)COC1 ZINC001140806438 960604236 /nfs/dbraw/zinc/60/42/36/960604236.db2.gz HNPWEBSVODOIPI-UHFFFAOYSA-N 2 1 245.326 2.031 20 0 BEADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccsc2)CC[NH2+]1 ZINC000709447391 960612737 /nfs/dbraw/zinc/61/27/37/960612737.db2.gz JAROWESVDOWHAE-ZYHUDNBSSA-N 2 1 224.373 2.320 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccsc2)CC[NH2+]1 ZINC000709447391 960612754 /nfs/dbraw/zinc/61/27/54/960612754.db2.gz JAROWESVDOWHAE-ZYHUDNBSSA-N 2 1 224.373 2.320 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccsc2)CC[NH2+]1 ZINC000709447389 960616962 /nfs/dbraw/zinc/61/69/62/960616962.db2.gz JAROWESVDOWHAE-PWSUYJOCSA-N 2 1 224.373 2.320 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccsc2)CC[NH2+]1 ZINC000709447389 960616970 /nfs/dbraw/zinc/61/69/70/960616970.db2.gz JAROWESVDOWHAE-PWSUYJOCSA-N 2 1 224.373 2.320 20 0 BEADMP CC[N@H+](Cc1ccncc1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000709480747 960621543 /nfs/dbraw/zinc/62/15/43/960621543.db2.gz YHZZEWFVFGDBLW-TZMCWYRMSA-N 2 1 233.359 2.044 20 0 BEADMP CC[N@@H+](Cc1ccncc1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000709480747 960621553 /nfs/dbraw/zinc/62/15/53/960621553.db2.gz YHZZEWFVFGDBLW-TZMCWYRMSA-N 2 1 233.359 2.044 20 0 BEADMP Cc1c[nH]c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1C ZINC001140861257 960643928 /nfs/dbraw/zinc/64/39/28/960643928.db2.gz DNQAYFLONQBEQD-OAHLLOKOSA-N 2 1 247.386 2.159 20 0 BEADMP Cc1c[nH]c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1C ZINC001140861257 960643937 /nfs/dbraw/zinc/64/39/37/960643937.db2.gz DNQAYFLONQBEQD-OAHLLOKOSA-N 2 1 247.386 2.159 20 0 BEADMP Cc1c[nH]c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1C ZINC001140861257 960643945 /nfs/dbraw/zinc/64/39/45/960643945.db2.gz DNQAYFLONQBEQD-OAHLLOKOSA-N 2 1 247.386 2.159 20 0 BEADMP Cc1c[nH]c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1C ZINC001140861257 960643953 /nfs/dbraw/zinc/64/39/53/960643953.db2.gz DNQAYFLONQBEQD-OAHLLOKOSA-N 2 1 247.386 2.159 20 0 BEADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(Cl)nc1 ZINC000083453923 960819848 /nfs/dbraw/zinc/81/98/48/960819848.db2.gz SLOYUNURUWKHRB-JTQLQIEISA-N 2 1 241.766 2.165 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](CCCOc2ccccc2)C1 ZINC000125535386 960836489 /nfs/dbraw/zinc/83/64/89/960836489.db2.gz IUMDFRGEPOEWNO-CQSZACIVSA-N 2 1 248.370 2.126 20 0 BEADMP CCCC[C@H](CC)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000300048482 960873840 /nfs/dbraw/zinc/87/38/40/960873840.db2.gz KMWXUIZMOBEUDE-FRRDWIJNSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]CC2(C)CCCC2)C[NH2+]1 ZINC000398946728 961051870 /nfs/dbraw/zinc/05/18/70/961051870.db2.gz BHFLGPNYKDAJOA-RYUDHWBXSA-N 2 1 210.365 2.297 20 0 BEADMP F[C@H]1C[N@@H+](Cc2ccc3nccn3c2)C[C@@H]2C[C@@H]21 ZINC001143021972 961868803 /nfs/dbraw/zinc/86/88/03/961868803.db2.gz JEHUHOWKMFLJGQ-AVGNSLFASA-N 2 1 245.301 2.124 20 0 BEADMP F[C@H]1CN(Cc2ccc3nccn3c2)C[C@@H]2C[C@@H]21 ZINC001143021972 961868805 /nfs/dbraw/zinc/86/88/05/961868805.db2.gz JEHUHOWKMFLJGQ-AVGNSLFASA-N 2 1 245.301 2.124 20 0 BEADMP Cc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(C)n1 ZINC001206631881 962128098 /nfs/dbraw/zinc/12/80/98/962128098.db2.gz BWVPQMKGLSCCGO-CQSZACIVSA-N 2 1 247.386 2.259 20 0 BEADMP C(C1CC1)[N@@H+]1CCC2(C[NH+]([C@@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC001167939351 962140158 /nfs/dbraw/zinc/14/01/58/962140158.db2.gz VCCDEQJEQGDEAZ-QDMKHBRRSA-N 2 1 246.398 2.203 20 0 BEADMP C(C1CC1)[N@H+]1CCC2(C[NH+]([C@@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC001167939351 962140171 /nfs/dbraw/zinc/14/01/71/962140171.db2.gz VCCDEQJEQGDEAZ-QDMKHBRRSA-N 2 1 246.398 2.203 20 0 BEADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167941349 962196305 /nfs/dbraw/zinc/19/63/05/962196305.db2.gz XCQZPXFABNMXHQ-BTTYYORXSA-N 2 1 222.376 2.203 20 0 BEADMP Cc1ccc(O)cc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206641462 962284130 /nfs/dbraw/zinc/28/41/30/962284130.db2.gz XVVHMAHPMNTVNK-CYBMUJFWSA-N 2 1 248.370 2.261 20 0 BEADMP C[N@@H+]1CCC[C@@H]1CCNc1ccc2c([nH+]1)CCC2 ZINC000710458757 962394980 /nfs/dbraw/zinc/39/49/80/962394980.db2.gz ZOYJARDRDOKQFU-CYBMUJFWSA-N 2 1 245.370 2.467 20 0 BEADMP C[N@H+]1CCC[C@@H]1CCNc1ccc2c([nH+]1)CCC2 ZINC000710458757 962394994 /nfs/dbraw/zinc/39/49/94/962394994.db2.gz ZOYJARDRDOKQFU-CYBMUJFWSA-N 2 1 245.370 2.467 20 0 BEADMP CC[C@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000710790654 962472838 /nfs/dbraw/zinc/47/28/38/962472838.db2.gz FIWKPMFMTPGKME-FXJUQPSGSA-N 2 1 208.349 2.144 20 0 BEADMP CCCc1cc(N[C@H](C)C[NH+](C)C)nc(C)[nH+]1 ZINC001155915931 963200868 /nfs/dbraw/zinc/20/08/68/963200868.db2.gz KGMVDKCNIRPKHK-SNVBAGLBSA-N 2 1 236.363 2.100 20 0 BEADMP CCOc1cc[nH+]c(NCCn2cc[nH+]c2C)c1 ZINC001156007019 963228413 /nfs/dbraw/zinc/22/84/13/963228413.db2.gz ISSMIOUICHDLBE-UHFFFAOYSA-N 2 1 246.314 2.097 20 0 BEADMP Cc1c[nH+]c(NCC[C@@H]2CCC[N@H+](C)C2)c(N)c1 ZINC001156390430 963330016 /nfs/dbraw/zinc/33/00/16/963330016.db2.gz YIYQILNQCXAXNK-LBPRGKRZSA-N 2 1 248.374 2.116 20 0 BEADMP CCCC[N@H+](CC)CC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001168072580 963606379 /nfs/dbraw/zinc/60/63/79/963606379.db2.gz UKZJLMVMBPATAG-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP CCCC[N@@H+](CC)CC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001168072580 963606381 /nfs/dbraw/zinc/60/63/81/963606381.db2.gz UKZJLMVMBPATAG-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP CCCC[N@H+](CC)CC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC001168072583 963607037 /nfs/dbraw/zinc/60/70/37/963607037.db2.gz UKZJLMVMBPATAG-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP CCCC[N@@H+](CC)CC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC001168072583 963607043 /nfs/dbraw/zinc/60/70/43/963607043.db2.gz UKZJLMVMBPATAG-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP CCN(c1cc2[nH]ccc2c(C)[nH+]1)C1C[NH+](C)C1 ZINC001157456637 963613990 /nfs/dbraw/zinc/61/39/90/963613990.db2.gz SZRPCMKVFCYCAB-UHFFFAOYSA-N 2 1 244.342 2.012 20 0 BEADMP Cc1cccnc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000093173490 963629278 /nfs/dbraw/zinc/62/92/78/963629278.db2.gz RKGDLLCBLMMRRG-UHFFFAOYSA-N 2 1 247.386 2.164 20 0 BEADMP CC(C)[C@@H](C)[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000697038390 963665761 /nfs/dbraw/zinc/66/57/61/963665761.db2.gz CJHIPYOXYNVMFA-OLZOCXBDSA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CCO[C@@H](C)C1 ZINC001168141951 963847351 /nfs/dbraw/zinc/84/73/51/963847351.db2.gz KNPYWDCFKWTLDR-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP CC1(Nc2cc3[nH+]c[nH]c3cc2F)CC[NH2+]CC1 ZINC001168188394 963948421 /nfs/dbraw/zinc/94/84/21/963948421.db2.gz UBKJGKSKPSAOJB-UHFFFAOYSA-N 2 1 248.305 2.256 20 0 BEADMP c1cc(C2CC2)cc(N2CCC3(C[NH2+]C3)CC2)[nH+]1 ZINC001159042839 963981119 /nfs/dbraw/zinc/98/11/19/963981119.db2.gz LNAUNXFPQCWYKI-UHFFFAOYSA-N 2 1 243.354 2.149 20 0 BEADMP C[C@@H]1C[C@H](F)C[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168313434 964420013 /nfs/dbraw/zinc/42/00/13/964420013.db2.gz CTAIUTUCLVFTOY-IALDZJHCSA-N 2 1 228.355 2.292 20 0 BEADMP CN(C)c1cc[nH+]c(NCC[C@H]2CCC[N@H+]2C)c1 ZINC001160964341 964460578 /nfs/dbraw/zinc/46/05/78/964460578.db2.gz MAHVQSFFKXCLCB-GFCCVEGCSA-N 2 1 248.374 2.044 20 0 BEADMP CCO[C@H](C[NH2+][C@@H]1CCCC[C@H]1C)C[NH+](C)C ZINC000926960961 964529124 /nfs/dbraw/zinc/52/91/24/964529124.db2.gz HSKQWGIKXALPCN-MGPQQGTHSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@H](CC[NH2+]Cc1cc(F)cc(F)c1)[NH+](C)C ZINC000697826810 964549134 /nfs/dbraw/zinc/54/91/34/964549134.db2.gz KLFUWWLFGVJSDE-SNVBAGLBSA-N 2 1 242.313 2.395 20 0 BEADMP Cc1sccc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000697887109 964632569 /nfs/dbraw/zinc/63/25/69/964632569.db2.gz DGIKYJPBRCDTPM-SNVBAGLBSA-N 2 1 226.389 2.486 20 0 BEADMP Cc1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)cs1 ZINC000697889015 964643267 /nfs/dbraw/zinc/64/32/67/964643267.db2.gz KFOWUWBTQJWECP-SNVBAGLBSA-N 2 1 226.389 2.486 20 0 BEADMP Cn1ccc2cc[nH+]c(N[C@@H]3CCC[C@@H]([NH3+])C3)c21 ZINC001162394884 964956098 /nfs/dbraw/zinc/95/60/98/964956098.db2.gz RLFMRUOSXLMTHQ-VXGBXAGGSA-N 2 1 244.342 2.255 20 0 BEADMP Cc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)c2[nH+]ccn2c1 ZINC001162399539 964959913 /nfs/dbraw/zinc/95/99/13/964959913.db2.gz BRTRRYCANWFCIY-NEPJUHHUSA-N 2 1 244.342 2.325 20 0 BEADMP [NH3+][C@H]1CCC[C@@H](Nc2ccc3[nH]c[nH+]c3c2)C1 ZINC001162406151 964965865 /nfs/dbraw/zinc/96/58/65/964965865.db2.gz ZSNLUUUMJWKBAQ-VHSXEESVSA-N 2 1 230.315 2.245 20 0 BEADMP Cc1cc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)nc(C)[nH+]1 ZINC001162454355 964985762 /nfs/dbraw/zinc/98/57/62/964985762.db2.gz OCTJQLNAONHOAQ-GWCFXTLKSA-N 2 1 248.374 2.141 20 0 BEADMP Cc1cc[nH+]c(C)c1NC[C@H]1C[NH2+][C@H](C)C1 ZINC001162556470 965046502 /nfs/dbraw/zinc/04/65/02/965046502.db2.gz DZSIHIXPJKSPAC-ZYHUDNBSSA-N 2 1 219.332 2.108 20 0 BEADMP Cc1c[nH+]cc(NC[C@H]2C[NH2+][C@H](C)C2)c1C ZINC001162556652 965047198 /nfs/dbraw/zinc/04/71/98/965047198.db2.gz PJBFDPQDPKTOCP-ZYHUDNBSSA-N 2 1 219.332 2.108 20 0 BEADMP C1=C[C@H](Nc2cc(C3CC3)cc[nH+]2)[C@H]2C[NH2+]C[C@@H]12 ZINC001162797343 965187184 /nfs/dbraw/zinc/18/71/84/965187184.db2.gz MAWWJAJLYQYHRF-RDBSUJKOSA-N 2 1 241.338 2.145 20 0 BEADMP CC(C)[N@H+]1CC[C@H](Nc2cccc(N)[nH+]2)[C@@H](C)C1 ZINC001163365412 965368952 /nfs/dbraw/zinc/36/89/52/965368952.db2.gz ZVKAJMURYHKZIO-RYUDHWBXSA-N 2 1 248.374 2.195 20 0 BEADMP Cc1c(F)cccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205093660 965717911 /nfs/dbraw/zinc/71/79/11/965717911.db2.gz DIPTWDYKOJHNRW-CYBMUJFWSA-N 2 1 236.334 2.447 20 0 BEADMP FC(F)C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000699205723 965815520 /nfs/dbraw/zinc/81/55/20/965815520.db2.gz SQDRMMMSEVVVLV-FGWVZKOKSA-N 2 1 244.329 2.247 20 0 BEADMP FC(F)C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000699205723 965815525 /nfs/dbraw/zinc/81/55/25/965815525.db2.gz SQDRMMMSEVVVLV-FGWVZKOKSA-N 2 1 244.329 2.247 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c1 ZINC001235167063 966021584 /nfs/dbraw/zinc/02/15/84/966021584.db2.gz YBHMQSOMPBTSJW-LSDHHAIUSA-N 2 1 230.355 2.227 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c1 ZINC001235167063 966021601 /nfs/dbraw/zinc/02/16/01/966021601.db2.gz YBHMQSOMPBTSJW-LSDHHAIUSA-N 2 1 230.355 2.227 20 0 BEADMP C[N@H+]1CCC[C@@H](CCNc2cccc(C[NH3+])c2)C1 ZINC001165279823 966025481 /nfs/dbraw/zinc/02/54/81/966025481.db2.gz ZDLHMHYNRSEKCZ-ZDUSSCGKSA-N 2 1 247.386 2.289 20 0 BEADMP [NH3+][C@@H]1[C@H]2C[N@H+](CCCCCc3ccccc3)C[C@H]21 ZINC001235209513 966029743 /nfs/dbraw/zinc/02/97/43/966029743.db2.gz AXYWWWAZLVSHCG-ZSHCYNCHSA-N 2 1 244.382 2.288 20 0 BEADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCc1ccc(F)cc1)C2 ZINC001235240033 966032200 /nfs/dbraw/zinc/03/22/00/966032200.db2.gz JMCQSMZNZRHUAV-UKRRQHHQSA-N 2 1 248.345 2.181 20 0 BEADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCc1ccc(F)cc1)C2 ZINC001235240033 966032213 /nfs/dbraw/zinc/03/22/13/966032213.db2.gz JMCQSMZNZRHUAV-UKRRQHHQSA-N 2 1 248.345 2.181 20 0 BEADMP Cc1[nH+]cc2n1CCN(c1cc(C)cc(C)[nH+]1)C2 ZINC001165384128 966075619 /nfs/dbraw/zinc/07/56/19/966075619.db2.gz FIBCQQROMUOYQU-UHFFFAOYSA-N 2 1 242.326 2.224 20 0 BEADMP CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959473 966177849 /nfs/dbraw/zinc/17/78/49/966177849.db2.gz QAYPAFKUOHWDEZ-CLLJXQQHSA-N 2 1 210.365 2.236 20 0 BEADMP Cc1ccc([C@@H](C)CC[NH+]2CC(C)(C[NH3+])C2)o1 ZINC001206711232 966193231 /nfs/dbraw/zinc/19/32/31/966193231.db2.gz GYHRTTJUTCCYSI-NSHDSACASA-N 2 1 236.359 2.362 20 0 BEADMP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1cccc3cc[nH]c31)C2 ZINC001235994286 966217704 /nfs/dbraw/zinc/21/77/04/966217704.db2.gz VBJALPIMHMBPOX-DZGCQCFKSA-N 2 1 241.338 2.091 20 0 BEADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1cccc3cc[nH]c31)C2 ZINC001235994286 966217722 /nfs/dbraw/zinc/21/77/22/966217722.db2.gz VBJALPIMHMBPOX-DZGCQCFKSA-N 2 1 241.338 2.091 20 0 BEADMP Fc1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314899 966367099 /nfs/dbraw/zinc/36/70/99/966367099.db2.gz SGRLQVSAEMMTJJ-BETUJISGSA-N 2 1 248.345 2.257 20 0 BEADMP CC[C@@H]1CC[C@H](C)[N@H+]1CCC[NH2+]C1CC1 ZINC000136085590 966373535 /nfs/dbraw/zinc/37/35/35/966373535.db2.gz BPMBZLJZZDIQJM-WCQYABFASA-N 2 1 210.365 2.391 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380688 966652765 /nfs/dbraw/zinc/65/27/65/966652765.db2.gz GUYYDCZVYCXELB-GCSSGZNBSA-N 2 1 246.398 2.273 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380688 966652771 /nfs/dbraw/zinc/65/27/71/966652771.db2.gz GUYYDCZVYCXELB-GCSSGZNBSA-N 2 1 246.398 2.273 20 0 BEADMP CC[N@@H+](C)C1CCN(Cc2ccc(O)cc2)CC1 ZINC001204098849 966895049 /nfs/dbraw/zinc/89/50/49/966895049.db2.gz KXONBSXJLQUZRZ-UHFFFAOYSA-N 2 1 248.370 2.308 20 0 BEADMP Cc1cc(Nc2cc[nH+]c3c2CCC3)c[nH+]c1N ZINC001249784807 967059835 /nfs/dbraw/zinc/05/98/35/967059835.db2.gz LSBQLRDESADMQP-UHFFFAOYSA-N 2 1 240.310 2.021 20 0 BEADMP C[C@@H]1CCC[C@H](C)[N@H+]1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001204598067 967099307 /nfs/dbraw/zinc/09/93/07/967099307.db2.gz GCOHTKRXOYZGGR-XQQFMLRXSA-N 2 1 240.391 2.364 20 0 BEADMP CCCC[C@H](CC)C[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC001204748757 967144883 /nfs/dbraw/zinc/14/48/83/967144883.db2.gz SYTXQQLRBHCOHR-UONOGXRCSA-N 2 1 242.407 2.252 20 0 BEADMP COc1ccc(CCC[N@@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC001204763459 967152285 /nfs/dbraw/zinc/15/22/85/967152285.db2.gz LERXZHVEZWPGMM-HNNXBMFYSA-N 2 1 248.370 2.051 20 0 BEADMP COc1ccc(CCC[N@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC001204763459 967152296 /nfs/dbraw/zinc/15/22/96/967152296.db2.gz LERXZHVEZWPGMM-HNNXBMFYSA-N 2 1 248.370 2.051 20 0 BEADMP C[C@]1([NH3+])CC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC001204772790 967159214 /nfs/dbraw/zinc/15/92/14/967159214.db2.gz YHRBVINRWAFEQQ-AWEZNQCLSA-N 2 1 229.327 2.091 20 0 BEADMP C[C@]1([NH3+])CC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC001204772790 967159219 /nfs/dbraw/zinc/15/92/19/967159219.db2.gz YHRBVINRWAFEQQ-AWEZNQCLSA-N 2 1 229.327 2.091 20 0 BEADMP C[C@]1([NH3+])CC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC001204789976 967171162 /nfs/dbraw/zinc/17/11/62/967171162.db2.gz FQKXKNKGKBLKIL-AWEZNQCLSA-N 2 1 229.327 2.091 20 0 BEADMP C[C@]1([NH3+])CC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC001204789976 967171175 /nfs/dbraw/zinc/17/11/75/967171175.db2.gz FQKXKNKGKBLKIL-AWEZNQCLSA-N 2 1 229.327 2.091 20 0 BEADMP Cc1ccsc1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205064096 967313976 /nfs/dbraw/zinc/31/39/76/967313976.db2.gz HNEFBNRZNVSHQB-QWRGUYRKSA-N 2 1 224.373 2.368 20 0 BEADMP Cc1ccsc1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205064096 967313979 /nfs/dbraw/zinc/31/39/79/967313979.db2.gz HNEFBNRZNVSHQB-QWRGUYRKSA-N 2 1 224.373 2.368 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1CCCc1ccccc1 ZINC001205058318 967315736 /nfs/dbraw/zinc/31/57/36/967315736.db2.gz JMFZLVPBOZWZMU-ZFWWWQNUSA-N 2 1 232.371 2.431 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1CCCc1ccccc1 ZINC001205058318 967315748 /nfs/dbraw/zinc/31/57/48/967315748.db2.gz JMFZLVPBOZWZMU-ZFWWWQNUSA-N 2 1 232.371 2.431 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccccc1N(C)C ZINC001205064125 967318801 /nfs/dbraw/zinc/31/88/01/967318801.db2.gz ITVUEDFVNDUQJK-JSGCOSHPSA-N 2 1 247.386 2.064 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccccc1N(C)C ZINC001205064125 967318814 /nfs/dbraw/zinc/31/88/14/967318814.db2.gz ITVUEDFVNDUQJK-JSGCOSHPSA-N 2 1 247.386 2.064 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccc2[nH]ccc21 ZINC001205064485 967319066 /nfs/dbraw/zinc/31/90/66/967319066.db2.gz QFJSTCXWODSJKP-AAEUAGOBSA-N 2 1 243.354 2.480 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccc2[nH]ccc21 ZINC001205064485 967319079 /nfs/dbraw/zinc/31/90/79/967319079.db2.gz QFJSTCXWODSJKP-AAEUAGOBSA-N 2 1 243.354 2.480 20 0 BEADMP Cc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c(F)c1 ZINC001205109476 967353556 /nfs/dbraw/zinc/35/35/56/967353556.db2.gz GTKXEIIVQGHYED-ZDUSSCGKSA-N 2 1 236.334 2.447 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(F)c1 ZINC001205109476 967353563 /nfs/dbraw/zinc/35/35/63/967353563.db2.gz GTKXEIIVQGHYED-ZDUSSCGKSA-N 2 1 236.334 2.447 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(C)n1 ZINC001205117127 967367388 /nfs/dbraw/zinc/36/73/88/967367388.db2.gz LGNSFOVESSWRPE-AWEZNQCLSA-N 2 1 233.359 2.012 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc3c2CCC3)CC1 ZINC001205131365 967375133 /nfs/dbraw/zinc/37/51/33/967375133.db2.gz WCCATBLSPLFULH-HNNXBMFYSA-N 2 1 244.382 2.489 20 0 BEADMP C[C@H]1C[N@@H+](Cc2cccc3cc[nH]c32)C[C@H]1C[NH3+] ZINC001205145854 967389169 /nfs/dbraw/zinc/38/91/69/967389169.db2.gz KMYOHXGJAMLDLV-SMDDNHRTSA-N 2 1 243.354 2.195 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CCCc1cccc(F)c1 ZINC001205171773 967411787 /nfs/dbraw/zinc/41/17/87/967411787.db2.gz YJPIRVYQNGZFQO-BXUZGUMPSA-N 2 1 236.334 2.180 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCCc1cccc(F)c1 ZINC001205171773 967411795 /nfs/dbraw/zinc/41/17/95/967411795.db2.gz YJPIRVYQNGZFQO-BXUZGUMPSA-N 2 1 236.334 2.180 20 0 BEADMP C[C@]1([NH3+])CCC[N@@H+](CC2CCCC2)CC1 ZINC001205255086 967440340 /nfs/dbraw/zinc/44/03/40/967440340.db2.gz GJYSUNJZJUGJOC-ZDUSSCGKSA-N 2 1 210.365 2.380 20 0 BEADMP Cc1cncc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205265248 967455459 /nfs/dbraw/zinc/45/54/59/967455459.db2.gz OZNKPHUCMMRIEO-CQSZACIVSA-N 2 1 233.359 2.093 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)nc1 ZINC001205273155 967466171 /nfs/dbraw/zinc/46/61/71/967466171.db2.gz GIKWPBGQAFHKAB-CQSZACIVSA-N 2 1 233.359 2.093 20 0 BEADMP Cc1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)sn1 ZINC001205288939 967479362 /nfs/dbraw/zinc/47/93/62/967479362.db2.gz QGDVHONEGWDQGQ-GFCCVEGCSA-N 2 1 239.388 2.155 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)sn1 ZINC001205288939 967479371 /nfs/dbraw/zinc/47/93/71/967479371.db2.gz QGDVHONEGWDQGQ-GFCCVEGCSA-N 2 1 239.388 2.155 20 0 BEADMP Cc1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)sn1 ZINC001205288940 967481818 /nfs/dbraw/zinc/48/18/18/967481818.db2.gz QGDVHONEGWDQGQ-LBPRGKRZSA-N 2 1 239.388 2.155 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)sn1 ZINC001205288940 967481852 /nfs/dbraw/zinc/48/18/52/967481852.db2.gz QGDVHONEGWDQGQ-LBPRGKRZSA-N 2 1 239.388 2.155 20 0 BEADMP CCc1cccc(C[N@@H+]2CC[NH2+]CC[C@H]2C)c1 ZINC001205332064 967547066 /nfs/dbraw/zinc/54/70/66/967547066.db2.gz NBUSMGAYHPDSGY-CYBMUJFWSA-N 2 1 232.371 2.433 20 0 BEADMP CCc1cccc(C[N@H+]2CC[NH2+]CC[C@H]2C)c1 ZINC001205332064 967547074 /nfs/dbraw/zinc/54/70/74/967547074.db2.gz NBUSMGAYHPDSGY-CYBMUJFWSA-N 2 1 232.371 2.433 20 0 BEADMP C[N@@H+]1CC=C(CC[NH+]2CCCCC2)CC1 ZINC001250241560 967551735 /nfs/dbraw/zinc/55/17/35/967551735.db2.gz GAFMDXMVVUUOAK-UHFFFAOYSA-N 2 1 208.349 2.124 20 0 BEADMP C[C@@H]1CC[N@@H+](CC2CCCC2)CC[C@@H]1C[NH3+] ZINC001205603037 967719183 /nfs/dbraw/zinc/71/91/83/967719183.db2.gz NDLGWDRBHQXXMY-TZMCWYRMSA-N 2 1 224.392 2.483 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)[nH]1 ZINC001205617710 967727077 /nfs/dbraw/zinc/72/70/77/967727077.db2.gz MPXODMMQUGBPDJ-BXUZGUMPSA-N 2 1 249.402 2.438 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)nc1 ZINC001205626752 967736012 /nfs/dbraw/zinc/73/60/12/967736012.db2.gz IVWSSYLWYITVOC-ZIAGYGMSSA-N 2 1 247.386 2.197 20 0 BEADMP C[C@H]1CC[N@@H+](Cc2ccccc2N)CC[C@H]1C[NH3+] ZINC001205653356 967742551 /nfs/dbraw/zinc/74/25/51/967742551.db2.gz SVVZKTXARLWYFJ-STQMWFEESA-N 2 1 247.386 2.076 20 0 BEADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1CCC(C)(C)C ZINC001205902203 967874575 /nfs/dbraw/zinc/87/45/75/967874575.db2.gz IPVCJWQKXORWNY-RYUDHWBXSA-N 2 1 212.381 2.482 20 0 BEADMP CNc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1 ZINC001205915859 967883782 /nfs/dbraw/zinc/88/37/82/967883782.db2.gz RBYAWNMQBBDWMW-GXTWGEPZSA-N 2 1 247.386 2.288 20 0 BEADMP CS[C@H](C)CC[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205981711 967898998 /nfs/dbraw/zinc/89/89/98/967898998.db2.gz FWRPTWBQSGLAHA-XQQFMLRXSA-N 2 1 244.448 2.435 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cn1 ZINC001206003528 967960210 /nfs/dbraw/zinc/96/02/10/967960210.db2.gz IZYZPZBPWCOLCK-SWLSCSKDSA-N 2 1 247.386 2.197 20 0 BEADMP CCc1cccc(C)c1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206075372 968043268 /nfs/dbraw/zinc/04/32/68/968043268.db2.gz IWWPWLIRUBQZHB-IUODEOHRSA-N 2 1 232.371 2.336 20 0 BEADMP CCc1cccc(C)c1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206075372 968043274 /nfs/dbraw/zinc/04/32/74/968043274.db2.gz IWWPWLIRUBQZHB-IUODEOHRSA-N 2 1 232.371 2.336 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](Cc2ccsc2)CC[C@@H]1F ZINC001206165545 968093662 /nfs/dbraw/zinc/09/36/62/968093662.db2.gz NZLBXCQVXDDXJB-WDEREUQCSA-N 2 1 228.336 2.009 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccsc2)CC[C@@H]1F ZINC001206165545 968093671 /nfs/dbraw/zinc/09/36/71/968093671.db2.gz NZLBXCQVXDDXJB-WDEREUQCSA-N 2 1 228.336 2.009 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2F)CC[C@H]1F ZINC001206157331 968094321 /nfs/dbraw/zinc/09/43/21/968094321.db2.gz XZFSYNQDJVFCBE-CHWSQXEVSA-N 2 1 240.297 2.087 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2F)CC[C@H]1F ZINC001206157331 968094336 /nfs/dbraw/zinc/09/43/36/968094336.db2.gz XZFSYNQDJVFCBE-CHWSQXEVSA-N 2 1 240.297 2.087 20 0 BEADMP CCc1cccc(C[N@@H+]2CC[NH2+]C[C@H](C)C2)c1 ZINC001206278136 968193723 /nfs/dbraw/zinc/19/37/23/968193723.db2.gz YYLPGSPLHGTCPY-ZDUSSCGKSA-N 2 1 232.371 2.290 20 0 BEADMP CCc1cccc(C[N@H+]2CC[NH2+]C[C@H](C)C2)c1 ZINC001206278136 968193727 /nfs/dbraw/zinc/19/37/27/968193727.db2.gz YYLPGSPLHGTCPY-ZDUSSCGKSA-N 2 1 232.371 2.290 20 0 BEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccoc2)CC1 ZINC001206296742 968205570 /nfs/dbraw/zinc/20/55/70/968205570.db2.gz UJMJKAYXENEDJQ-ZDUSSCGKSA-N 2 1 222.332 2.231 20 0 BEADMP Cc1ncccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206304621 968210266 /nfs/dbraw/zinc/21/02/66/968210266.db2.gz NLYMULMZDJNRMT-HNNXBMFYSA-N 2 1 247.386 2.341 20 0 BEADMP Cc1cccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)n1 ZINC001206542319 968368833 /nfs/dbraw/zinc/36/88/33/968368833.db2.gz YFTYPBRCYXAIHO-HNNXBMFYSA-N 2 1 247.386 2.341 20 0 BEADMP Cc1cc(N(C)C)[nH+]cc1Nc1cc[nH+]cc1 ZINC001206708198 968436083 /nfs/dbraw/zinc/43/60/83/968436083.db2.gz JZWNERUAIZZKQR-UHFFFAOYSA-N 2 1 228.299 2.017 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001207279591 968711155 /nfs/dbraw/zinc/71/11/55/968711155.db2.gz LPOUMTOXWRQDFE-MNOVXSKESA-N 2 1 246.345 2.161 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@@H+](C)CCc1ccncc1 ZINC001207285182 968715701 /nfs/dbraw/zinc/71/57/01/968715701.db2.gz BQVYZNDOUAKXTE-UHFFFAOYSA-N 2 1 249.402 2.144 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)CC1 ZINC001207395511 968749511 /nfs/dbraw/zinc/74/95/11/968749511.db2.gz SHCHXBZWVTZPKJ-LSDHHAIUSA-N 2 1 236.403 2.450 20 0 BEADMP CC[C@H](C)[N@@H+](C)CCC1CC[NH+](C)CC1 ZINC001207482592 968776963 /nfs/dbraw/zinc/77/69/63/968776963.db2.gz YNMUIAQWGKIDJP-LBPRGKRZSA-N 2 1 212.381 2.449 20 0 BEADMP CC(C)C[N@@H+](C)CCC1CC[NH+](C)CC1 ZINC001207479037 968792403 /nfs/dbraw/zinc/79/24/03/968792403.db2.gz BGBARZDSWFITFP-UHFFFAOYSA-N 2 1 212.381 2.306 20 0 BEADMP CCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001207836121 968897476 /nfs/dbraw/zinc/89/74/76/968897476.db2.gz GUTOINZQDWKYHI-REWJHTLYSA-N 2 1 224.392 2.495 20 0 BEADMP C[N@@H+](CC1(C)CC[NH+](C)CC1)C1CC(F)(F)C1 ZINC001208105648 969002582 /nfs/dbraw/zinc/00/25/82/969002582.db2.gz YQKLVROJHWBQLX-UHFFFAOYSA-N 2 1 246.345 2.448 20 0 BEADMP C[N@@H+]1CCC=C(c2cccc3c[nH+]cn32)C1 ZINC001241570108 969064745 /nfs/dbraw/zinc/06/47/45/969064745.db2.gz DIKDMDFHUQMLHF-UHFFFAOYSA-N 2 1 213.284 2.053 20 0 BEADMP C[N@H+]1CCC=C(c2cccc3c[nH+]cn32)C1 ZINC001241570108 969064758 /nfs/dbraw/zinc/06/47/58/969064758.db2.gz DIKDMDFHUQMLHF-UHFFFAOYSA-N 2 1 213.284 2.053 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+](CC[C@@H](C)SC)C[C@@H]2C1 ZINC001208151100 969070590 /nfs/dbraw/zinc/07/05/90/969070590.db2.gz JHFYEGMFTXKUHZ-UPJWGTAASA-N 2 1 242.432 2.012 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@H+](CC[C@@H](C)SC)C[C@@H]2C1 ZINC001208151100 969070598 /nfs/dbraw/zinc/07/05/98/969070598.db2.gz JHFYEGMFTXKUHZ-UPJWGTAASA-N 2 1 242.432 2.012 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+](CC[C@H](C)SC)C[C@@H]2C1 ZINC001208151099 969071174 /nfs/dbraw/zinc/07/11/74/969071174.db2.gz JHFYEGMFTXKUHZ-RWMBFGLXSA-N 2 1 242.432 2.012 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@H+](CC[C@H](C)SC)C[C@@H]2C1 ZINC001208151099 969071180 /nfs/dbraw/zinc/07/11/80/969071180.db2.gz JHFYEGMFTXKUHZ-RWMBFGLXSA-N 2 1 242.432 2.012 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)CC1 ZINC001208592302 969145673 /nfs/dbraw/zinc/14/56/73/969145673.db2.gz HIYRMEPPADRBLZ-IHRRRGAJSA-N 2 1 240.366 2.008 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)CC1 ZINC001208592308 969145722 /nfs/dbraw/zinc/14/57/22/969145722.db2.gz HIYRMEPPADRBLZ-MELADBBJSA-N 2 1 240.366 2.008 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](C)C2)CC1 ZINC001208592894 969149417 /nfs/dbraw/zinc/14/94/17/969149417.db2.gz LWUNOXNJKQDWSO-LBPRGKRZSA-N 2 1 210.365 2.060 20 0 BEADMP CC[NH+]1CCC(C[N@@H+](C)CCSC)CC1 ZINC001208603262 969149466 /nfs/dbraw/zinc/14/94/66/969149466.db2.gz YFSPCNUAVGWAIM-UHFFFAOYSA-N 2 1 230.421 2.013 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CCn3cccc3C2)CC1 ZINC001208599971 969151800 /nfs/dbraw/zinc/15/18/00/969151800.db2.gz NIOKYVMSCIGIIZ-UHFFFAOYSA-N 2 1 247.386 2.036 20 0 BEADMP CC[NH+]1CCC(C[N@@H+](C)CC2CCC2)CC1 ZINC001208599414 969151866 /nfs/dbraw/zinc/15/18/66/969151866.db2.gz HDSPAVYJUACGLF-UHFFFAOYSA-N 2 1 224.392 2.450 20 0 BEADMP CC[N@@H+](Cc1ccncc1)C[C@H]1CCC[NH+](C)C1 ZINC001208604765 969153550 /nfs/dbraw/zinc/15/35/50/969153550.db2.gz UFEIIRNQHLQFFT-HNNXBMFYSA-N 2 1 247.386 2.245 20 0 BEADMP CC[N@H+](Cc1ccncc1)C[C@H]1CCC[NH+](C)C1 ZINC001208604765 969153552 /nfs/dbraw/zinc/15/35/52/969153552.db2.gz UFEIIRNQHLQFFT-HNNXBMFYSA-N 2 1 247.386 2.245 20 0 BEADMP CC[NH+](Cc1ccncc1)C[C@H]1CCC[N@H+](C)C1 ZINC001208604765 969153559 /nfs/dbraw/zinc/15/35/59/969153559.db2.gz UFEIIRNQHLQFFT-HNNXBMFYSA-N 2 1 247.386 2.245 20 0 BEADMP CC[NH+](Cc1ccncc1)C[C@H]1CCC[N@@H+](C)C1 ZINC001208604765 969153563 /nfs/dbraw/zinc/15/35/63/969153563.db2.gz UFEIIRNQHLQFFT-HNNXBMFYSA-N 2 1 247.386 2.245 20 0 BEADMP C[N@@H+]1CCC[C@H](C[NH+]2CCCC2(C)C)C1 ZINC001208604816 969157297 /nfs/dbraw/zinc/15/72/97/969157297.db2.gz WNEFFLCCUDKSRD-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CCCC2(C)C)C1 ZINC001208604816 969157299 /nfs/dbraw/zinc/15/72/99/969157299.db2.gz WNEFFLCCUDKSRD-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+]1CCC[C@H](C[N@@H+]2CCCC2(C)C)C1 ZINC001208604816 969157307 /nfs/dbraw/zinc/15/73/07/969157307.db2.gz WNEFFLCCUDKSRD-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+]1CCC[C@H](C[N@H+]2CCCC2(C)C)C1 ZINC001208604816 969157312 /nfs/dbraw/zinc/15/73/12/969157312.db2.gz WNEFFLCCUDKSRD-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP C[N@@H+](C[C@H]1CC1(C)C)C[C@@H]1CCC[NH+](C)C1 ZINC001208607572 969161799 /nfs/dbraw/zinc/16/17/99/969161799.db2.gz DDHQDWOCYUXIQC-CHWSQXEVSA-N 2 1 224.392 2.306 20 0 BEADMP C[NH+](C[C@H]1CC1(C)C)C[C@@H]1CCC[N@H+](C)C1 ZINC001208607572 969161815 /nfs/dbraw/zinc/16/18/15/969161815.db2.gz DDHQDWOCYUXIQC-CHWSQXEVSA-N 2 1 224.392 2.306 20 0 BEADMP C[NH+](C[C@H]1CC1(C)C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208607572 969161820 /nfs/dbraw/zinc/16/18/20/969161820.db2.gz DDHQDWOCYUXIQC-CHWSQXEVSA-N 2 1 224.392 2.306 20 0 BEADMP CC[N@@H+](Cc1cccnc1)C[C@H]1CCC[NH+](C)C1 ZINC001208609731 969168625 /nfs/dbraw/zinc/16/86/25/969168625.db2.gz XEBLHDUIQFCYOY-HNNXBMFYSA-N 2 1 247.386 2.245 20 0 BEADMP CC[N@H+](Cc1cccnc1)C[C@H]1CCC[NH+](C)C1 ZINC001208609731 969168628 /nfs/dbraw/zinc/16/86/28/969168628.db2.gz XEBLHDUIQFCYOY-HNNXBMFYSA-N 2 1 247.386 2.245 20 0 BEADMP CC[NH+](Cc1cccnc1)C[C@H]1CCC[N@H+](C)C1 ZINC001208609731 969168633 /nfs/dbraw/zinc/16/86/33/969168633.db2.gz XEBLHDUIQFCYOY-HNNXBMFYSA-N 2 1 247.386 2.245 20 0 BEADMP CC[NH+](Cc1cccnc1)C[C@H]1CCC[N@@H+](C)C1 ZINC001208609731 969168636 /nfs/dbraw/zinc/16/86/36/969168636.db2.gz XEBLHDUIQFCYOY-HNNXBMFYSA-N 2 1 247.386 2.245 20 0 BEADMP C[C@@H]1CC[N@H+](C[C@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC001208613173 969168711 /nfs/dbraw/zinc/16/87/11/969168711.db2.gz QSGCKUDEIICCIZ-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC001208613173 969168713 /nfs/dbraw/zinc/16/87/13/969168713.db2.gz QSGCKUDEIICCIZ-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](C)C2)[C@H](C)C1 ZINC001208613173 969168718 /nfs/dbraw/zinc/16/87/18/969168718.db2.gz QSGCKUDEIICCIZ-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC001208613173 969168723 /nfs/dbraw/zinc/16/87/23/969168723.db2.gz QSGCKUDEIICCIZ-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH+](C)C2)[C@@H]1C ZINC001208610189 969169012 /nfs/dbraw/zinc/16/90/12/969169012.db2.gz ZQENPLKDWSZHLX-MGPQQGTHSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](C)C2)[C@@H]1C ZINC001208610189 969169018 /nfs/dbraw/zinc/16/90/18/969169018.db2.gz ZQENPLKDWSZHLX-MGPQQGTHSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CCC[NH+](C[C@@H]2CCC[N@H+](C)C2)[C@@H]1C ZINC001208610189 969169021 /nfs/dbraw/zinc/16/90/21/969169021.db2.gz ZQENPLKDWSZHLX-MGPQQGTHSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](C)C2)[C@@H]1C ZINC001208610189 969169025 /nfs/dbraw/zinc/16/90/25/969169025.db2.gz ZQENPLKDWSZHLX-MGPQQGTHSA-N 2 1 224.392 2.449 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccn1 ZINC001205991618 969210754 /nfs/dbraw/zinc/21/07/54/969210754.db2.gz BCMLJZUQJNZGKH-IUODEOHRSA-N 2 1 247.386 2.197 20 0 BEADMP CCOC(C)(C)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC001209073247 969346762 /nfs/dbraw/zinc/34/67/62/969346762.db2.gz QYFOSSPBUXBZSM-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP CCOC(C)(C)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001209073247 969346764 /nfs/dbraw/zinc/34/67/64/969346764.db2.gz QYFOSSPBUXBZSM-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP CCC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099618 969392028 /nfs/dbraw/zinc/39/20/28/969392028.db2.gz CPXDLEUJNIEIRU-FVCCEPFGSA-N 2 1 210.365 2.390 20 0 BEADMP CCCOCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099486 969393258 /nfs/dbraw/zinc/39/32/58/969393258.db2.gz SYBTTWWTBOUXEW-BTTYYORXSA-N 2 1 240.391 2.018 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCC(F)(F)C1)C2 ZINC001169081776 969404658 /nfs/dbraw/zinc/40/46/58/969404658.db2.gz WHIMNTJBEJATAL-KKOKHZNYSA-N 2 1 244.329 2.389 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CC[C@@H](F)C1)C2 ZINC001169081537 969404769 /nfs/dbraw/zinc/40/47/69/969404769.db2.gz SRJIUSUQRHWHPA-XGFWRYKXSA-N 2 1 240.366 2.339 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CCC[C@H]1F)C2 ZINC001169080379 969405237 /nfs/dbraw/zinc/40/52/37/969405237.db2.gz MWUXDOJWBLKYPA-QSLWVIQJSA-N 2 1 240.366 2.339 20 0 BEADMP CN1CCC([N@@H+](C)CCc2cccs2)CC1 ZINC001209222416 969407386 /nfs/dbraw/zinc/40/73/86/969407386.db2.gz FJCWLFQJFNRFIX-UHFFFAOYSA-N 2 1 238.400 2.317 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1C ZINC001169090177 969410191 /nfs/dbraw/zinc/41/01/91/969410191.db2.gz ICUHNMGOUVOPHY-ZSOGYDGISA-N 2 1 247.386 2.048 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1C ZINC001169090177 969410199 /nfs/dbraw/zinc/41/01/99/969410199.db2.gz ICUHNMGOUVOPHY-ZSOGYDGISA-N 2 1 247.386 2.048 20 0 BEADMP CC(C)C[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123853 969420524 /nfs/dbraw/zinc/42/05/24/969420524.db2.gz NFWFIHGJHDRVBL-ITGUQSILSA-N 2 1 210.365 2.199 20 0 BEADMP CC(C)C[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169123853 969420527 /nfs/dbraw/zinc/42/05/27/969420527.db2.gz NFWFIHGJHDRVBL-ITGUQSILSA-N 2 1 210.365 2.199 20 0 BEADMP CC(C)C[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169123853 969420531 /nfs/dbraw/zinc/42/05/31/969420531.db2.gz NFWFIHGJHDRVBL-ITGUQSILSA-N 2 1 210.365 2.199 20 0 BEADMP C[C@H]1CCC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123349 969421725 /nfs/dbraw/zinc/42/17/25/969421725.db2.gz JSOKWXSKXYEIOD-WUHRBBMRSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@H]1CCC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123349 969421733 /nfs/dbraw/zinc/42/17/33/969421733.db2.gz JSOKWXSKXYEIOD-WUHRBBMRSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@H]1CCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169123349 969421741 /nfs/dbraw/zinc/42/17/41/969421741.db2.gz JSOKWXSKXYEIOD-WUHRBBMRSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@H]1CCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169123349 969421745 /nfs/dbraw/zinc/42/17/45/969421745.db2.gz JSOKWXSKXYEIOD-WUHRBBMRSA-N 2 1 208.349 2.096 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@@H]3CCC[C@H]3C1)C2 ZINC001169126544 969430369 /nfs/dbraw/zinc/43/03/69/969430369.db2.gz WCSDJRGANQPYBN-BTFPBAQTSA-N 2 1 234.387 2.344 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC3(CC3)C1)C2 ZINC001169128035 969434782 /nfs/dbraw/zinc/43/47/82/969434782.db2.gz BTAXKZSHOBSIIK-CLLJXQQHSA-N 2 1 220.360 2.098 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC3(CC3)C1)C2 ZINC001169128035 969434784 /nfs/dbraw/zinc/43/47/84/969434784.db2.gz BTAXKZSHOBSIIK-CLLJXQQHSA-N 2 1 220.360 2.098 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC=CCC1)C2 ZINC001169115632 969452197 /nfs/dbraw/zinc/45/21/97/969452197.db2.gz LSDHQZBBRRRMPY-YIYPIFLZSA-N 2 1 220.360 2.310 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H]1CF)C2 ZINC001169163062 969477345 /nfs/dbraw/zinc/47/73/45/969477345.db2.gz XRDVMNVRCWLREO-YVECIDJPSA-N 2 1 226.339 2.046 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H]1CF)C2 ZINC001169163062 969477351 /nfs/dbraw/zinc/47/73/51/969477351.db2.gz XRDVMNVRCWLREO-YVECIDJPSA-N 2 1 226.339 2.046 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H]1CF)C2 ZINC001169163062 969477355 /nfs/dbraw/zinc/47/73/55/969477355.db2.gz XRDVMNVRCWLREO-YVECIDJPSA-N 2 1 226.339 2.046 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H]1CF)C2 ZINC001169163062 969477362 /nfs/dbraw/zinc/47/73/62/969477362.db2.gz XRDVMNVRCWLREO-YVECIDJPSA-N 2 1 226.339 2.046 20 0 BEADMP C[C@H]1C[C@H]1C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001209412982 969478009 /nfs/dbraw/zinc/47/80/09/969478009.db2.gz JQGOAEPMFWLJIE-JSGCOSHPSA-N 2 1 234.387 2.060 20 0 BEADMP C[C@H]1C[C@H]1C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001209412982 969478016 /nfs/dbraw/zinc/47/80/16/969478016.db2.gz JQGOAEPMFWLJIE-JSGCOSHPSA-N 2 1 234.387 2.060 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3ncccc32)CC1 ZINC001169233912 969516300 /nfs/dbraw/zinc/51/63/00/969516300.db2.gz YBHOKHMGCIHORE-OAHLLOKOSA-N 2 1 245.370 2.143 20 0 BEADMP CC[NH+]1CCC([NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001169263897 969521685 /nfs/dbraw/zinc/52/16/85/969521685.db2.gz COGMJGNCZWRSPO-STQMWFEESA-N 2 1 224.392 2.449 20 0 BEADMP CCN1CCC([N@H+]2CCC23CCCC3)CC1 ZINC001169246569 969535428 /nfs/dbraw/zinc/53/54/28/969535428.db2.gz SNDBFSYKFDZBBI-UHFFFAOYSA-N 2 1 222.376 2.489 20 0 BEADMP CC[NH+]1CCC([N@@H+]2CCC23CCCC3)CC1 ZINC001169246569 969535438 /nfs/dbraw/zinc/53/54/38/969535438.db2.gz SNDBFSYKFDZBBI-UHFFFAOYSA-N 2 1 222.376 2.489 20 0 BEADMP CC[NH+]1CCC([N@H+]2CCC23CCCC3)CC1 ZINC001169246569 969535444 /nfs/dbraw/zinc/53/54/44/969535444.db2.gz SNDBFSYKFDZBBI-UHFFFAOYSA-N 2 1 222.376 2.489 20 0 BEADMP [NH3+]CCC[C@H]1CCCC[N@H+]([C@@H]2CCCOC2)C1 ZINC001254376269 969593180 /nfs/dbraw/zinc/59/31/80/969593180.db2.gz WSHQLFDGDASRQL-ZIAGYGMSSA-N 2 1 240.391 2.006 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](F)CC2)CC1 ZINC001254496962 969657951 /nfs/dbraw/zinc/65/79/51/969657951.db2.gz BKNQMQOUYUNDFD-UPJWGTAASA-N 2 1 228.355 2.341 20 0 BEADMP C[N@H+]1CCC[C@@H](Nc2cccc(C[NH3+])c2)CC1 ZINC001254500146 969661995 /nfs/dbraw/zinc/66/19/95/969661995.db2.gz GFKAUMZVRKFAOA-CYBMUJFWSA-N 2 1 233.359 2.042 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3ncccc32)CC1 ZINC001254506945 969676468 /nfs/dbraw/zinc/67/64/68/969676468.db2.gz DDUCEFOKQIXHGV-WFASDCNBSA-N 2 1 245.370 2.143 20 0 BEADMP Cc1cccc(C(=[NH2+])N[C@H]2CCC[N@H+](C)CC2)c1 ZINC001254509087 969680002 /nfs/dbraw/zinc/68/00/02/969680002.db2.gz VWGMMSRFYFEABF-AWEZNQCLSA-N 2 1 245.370 2.394 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(C)(F)CC2)CC1 ZINC001254516164 969691370 /nfs/dbraw/zinc/69/13/70/969691370.db2.gz JKXPPGKGGDFKLX-GFCCVEGCSA-N 2 1 228.355 2.295 20 0 BEADMP C[N@H+](Cc1cccc(O)c1)[C@H]1CCC[NH+](C)CC1 ZINC001254517359 969700523 /nfs/dbraw/zinc/70/05/23/969700523.db2.gz UZWKDUJESJBDDH-AWEZNQCLSA-N 2 1 248.370 2.308 20 0 BEADMP C[N@@H+](Cc1cccc(O)c1)[C@H]1CCC[NH+](C)CC1 ZINC001254517359 969700530 /nfs/dbraw/zinc/70/05/30/969700530.db2.gz UZWKDUJESJBDDH-AWEZNQCLSA-N 2 1 248.370 2.308 20 0 BEADMP C[NH+](Cc1cccc(O)c1)[C@H]1CCC[N@H+](C)CC1 ZINC001254517359 969700536 /nfs/dbraw/zinc/70/05/36/969700536.db2.gz UZWKDUJESJBDDH-AWEZNQCLSA-N 2 1 248.370 2.308 20 0 BEADMP C[NH+](Cc1cccc(O)c1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254517359 969700543 /nfs/dbraw/zinc/70/05/43/969700543.db2.gz UZWKDUJESJBDDH-AWEZNQCLSA-N 2 1 248.370 2.308 20 0 BEADMP CNc1ccc(NC(C)(C)CC[NH+](C)C)c[nH+]1 ZINC001169717106 969831326 /nfs/dbraw/zinc/83/13/26/969831326.db2.gz CUXTYJPYXQZGAH-UHFFFAOYSA-N 2 1 236.363 2.266 20 0 BEADMP CCC[N@@H+](CCC[NH3+])C1Cc2ccccc2C1 ZINC001255011928 969841978 /nfs/dbraw/zinc/84/19/78/969841978.db2.gz HBSUYABCNUSASP-UHFFFAOYSA-N 2 1 232.371 2.215 20 0 BEADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+]C2CCOCC2)C1 ZINC001255035629 969857315 /nfs/dbraw/zinc/85/73/15/969857315.db2.gz KIOLZDWNHLACNT-ZDUSSCGKSA-N 2 1 240.391 2.018 20 0 BEADMP CCC(CC)[N@H+]1CC[C@H]([NH2+]C2CCOCC2)C1 ZINC001255035629 969857318 /nfs/dbraw/zinc/85/73/18/969857318.db2.gz KIOLZDWNHLACNT-ZDUSSCGKSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1c[nH+]c(NCC[C@H]2CCC[N@H+](C)C2)cc1N ZINC001156388524 969872995 /nfs/dbraw/zinc/87/29/95/969872995.db2.gz LINICUZGBRRDAN-GFCCVEGCSA-N 2 1 248.374 2.116 20 0 BEADMP CC/C=C\CCC[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210474242 969898988 /nfs/dbraw/zinc/89/89/88/969898988.db2.gz FFHXXWUDPURPLT-ZFDPJTLLSA-N 2 1 210.365 2.417 20 0 BEADMP C[C@@H]1CC[N@H+](Cc2cccc3c2CCC3)CC[NH2+]1 ZINC001210519936 969925086 /nfs/dbraw/zinc/92/50/86/969925086.db2.gz VEKSNJYQOKPKML-CYBMUJFWSA-N 2 1 244.382 2.359 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2cccc3c2CCC3)CC[NH2+]1 ZINC001210519936 969925088 /nfs/dbraw/zinc/92/50/88/969925088.db2.gz VEKSNJYQOKPKML-CYBMUJFWSA-N 2 1 244.382 2.359 20 0 BEADMP C[NH2+]Cc1ccc(Nc2[nH+]cc(C)cc2N)cc1 ZINC001211128171 970155543 /nfs/dbraw/zinc/15/55/43/970155543.db2.gz CFCZBFJOMFCGFO-UHFFFAOYSA-N 2 1 242.326 2.435 20 0 BEADMP CCN(c1[nH+]c(C)cc2[nH]ccc21)C1C[NH+](C)C1 ZINC001157455747 970327968 /nfs/dbraw/zinc/32/79/68/970327968.db2.gz BVIJPGSVQGPHQW-UHFFFAOYSA-N 2 1 244.342 2.012 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)C1 ZINC001170114039 970330614 /nfs/dbraw/zinc/33/06/14/970330614.db2.gz ZTNXAKBDJYQRAY-RWMBFGLXSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1CC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255674982 970451294 /nfs/dbraw/zinc/45/12/94/970451294.db2.gz WLSKMFRFNQGOEX-ICIURTGMSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@H]1CC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255674982 970451297 /nfs/dbraw/zinc/45/12/97/970451297.db2.gz WLSKMFRFNQGOEX-ICIURTGMSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@H]1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255674982 970451303 /nfs/dbraw/zinc/45/13/03/970451303.db2.gz WLSKMFRFNQGOEX-ICIURTGMSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@H]1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255674982 970451306 /nfs/dbraw/zinc/45/13/06/970451306.db2.gz WLSKMFRFNQGOEX-ICIURTGMSA-N 2 1 222.376 2.344 20 0 BEADMP Cc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001255773957 970479735 /nfs/dbraw/zinc/47/97/35/970479735.db2.gz SHSVAGDAKJAAGA-HOCLYGCPSA-N 2 1 246.398 2.467 20 0 BEADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001170159240 970487460 /nfs/dbraw/zinc/48/74/60/970487460.db2.gz RTQGBAPBCMRDDT-APIJFGDWSA-N 2 1 236.403 2.449 20 0 BEADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001170159240 970487465 /nfs/dbraw/zinc/48/74/65/970487465.db2.gz RTQGBAPBCMRDDT-APIJFGDWSA-N 2 1 236.403 2.449 20 0 BEADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001170159240 970487472 /nfs/dbraw/zinc/48/74/72/970487472.db2.gz RTQGBAPBCMRDDT-APIJFGDWSA-N 2 1 236.403 2.449 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cccnc1 ZINC001255939770 970568495 /nfs/dbraw/zinc/56/84/95/970568495.db2.gz JLUCPIADDSKYNL-CYBMUJFWSA-N 2 1 235.375 2.292 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCCO[C@@H](C)C1 ZINC001255955495 970586401 /nfs/dbraw/zinc/58/64/01/970586401.db2.gz AISVVQZQAAOPFB-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCCO[C@@H](C)C1 ZINC001255955495 970586408 /nfs/dbraw/zinc/58/64/08/970586408.db2.gz AISVVQZQAAOPFB-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001255966000 970601005 /nfs/dbraw/zinc/60/10/05/970601005.db2.gz IYDYPDMOSBLEIG-XDQVBPFNSA-N 2 1 242.382 2.254 20 0 BEADMP CC(C)([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC001256066838 970632679 /nfs/dbraw/zinc/63/26/79/970632679.db2.gz UDJPPHPMFHZSGK-UHFFFAOYSA-N 2 1 222.376 2.391 20 0 BEADMP C1CC1[NH+]1CCC([NH+]2C[C@@H]3CCC[C@H]3C2)CC1 ZINC001256073258 970639537 /nfs/dbraw/zinc/63/95/37/970639537.db2.gz PWOSKNKSZCQSTC-STQMWFEESA-N 2 1 234.387 2.345 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC001256196843 970690451 /nfs/dbraw/zinc/69/04/51/970690451.db2.gz ZAWYUBAULPLVQT-HNNXBMFYSA-N 2 1 248.345 2.497 20 0 BEADMP C[NH+]1CCC([NH2+]C(C)(C)Cc2cccnc2)CC1 ZINC001256201874 970696089 /nfs/dbraw/zinc/69/60/89/970696089.db2.gz RODIHACJUCEFNI-UHFFFAOYSA-N 2 1 247.386 2.087 20 0 BEADMP C[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)CCC1(F)F ZINC001256202174 970698522 /nfs/dbraw/zinc/69/85/22/970698522.db2.gz ALDSBCUBFMNYFY-NSHDSACASA-N 2 1 246.345 2.448 20 0 BEADMP C[C@H]1CC[N@H+](C2CC[NH+](C)CC2)CCC1(F)F ZINC001256202174 970698528 /nfs/dbraw/zinc/69/85/28/970698528.db2.gz ALDSBCUBFMNYFY-NSHDSACASA-N 2 1 246.345 2.448 20 0 BEADMP C[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C[C@H]1C ZINC001256202664 970705738 /nfs/dbraw/zinc/70/57/38/970705738.db2.gz KIUSKNXULFYMNS-CHWSQXEVSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C[C@H]1C ZINC001256202664 970705741 /nfs/dbraw/zinc/70/57/41/970705741.db2.gz KIUSKNXULFYMNS-CHWSQXEVSA-N 2 1 224.392 2.449 20 0 BEADMP C[N@H+](C[C@H]1CC1(C)C)C1CC[NH+](C)CC1 ZINC001256208327 970711828 /nfs/dbraw/zinc/71/18/28/970711828.db2.gz FJTGHYHUKFUVKP-LLVKDONJSA-N 2 1 210.365 2.059 20 0 BEADMP C[N@@H+](C[C@H]1CC1(C)C)C1CC[NH+](C)CC1 ZINC001256208327 970711833 /nfs/dbraw/zinc/71/18/33/970711833.db2.gz FJTGHYHUKFUVKP-LLVKDONJSA-N 2 1 210.365 2.059 20 0 BEADMP CN1CCC([N@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC001256207222 970714100 /nfs/dbraw/zinc/71/41/00/970714100.db2.gz CXEPKBPVBASMRA-HNNXBMFYSA-N 2 1 245.370 2.313 20 0 BEADMP CCCCCC[C@H](CC)[N@H+]1C[C@H](N)C[C@H](O)C1 ZINC001246542446 972576599 /nfs/dbraw/zinc/57/65/99/972576599.db2.gz QIPSQXLMDLGGSY-RDBSUJKOSA-N 2 1 242.407 2.129 20 0 BEADMP CCCCCC[C@H](CC)[N@@H+]1C[C@H]([NH3+])C[C@H](O)C1 ZINC001246542446 972576621 /nfs/dbraw/zinc/57/66/21/972576621.db2.gz QIPSQXLMDLGGSY-RDBSUJKOSA-N 2 1 242.407 2.129 20 0 BEADMP CCCCCC[C@H](CC)[N@H+]1C[C@H]([NH3+])C[C@H](O)C1 ZINC001246542446 972576641 /nfs/dbraw/zinc/57/66/41/972576641.db2.gz QIPSQXLMDLGGSY-RDBSUJKOSA-N 2 1 242.407 2.129 20 0 BEADMP CCCC[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596494 972598740 /nfs/dbraw/zinc/59/87/40/972598740.db2.gz XJBVFUBYJPPFAQ-HNNXBMFYSA-N 2 1 244.382 2.476 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC001327839354 972754964 /nfs/dbraw/zinc/75/49/64/972754964.db2.gz GTPOHZZHHIWSLN-VHSXEESVSA-N 2 1 241.766 2.241 20 0 BEADMP C[C@@]1(C[NH3+])CCC[N@H+](C2CCSCC2)CC1 ZINC001246577306 972882651 /nfs/dbraw/zinc/88/26/51/972882651.db2.gz NYRMYENGDNOGEQ-CYBMUJFWSA-N 2 1 242.432 2.333 20 0 BEADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2CCCSC2)C1 ZINC001246583910 972953153 /nfs/dbraw/zinc/95/31/53/972953153.db2.gz LRGMKILJWLNENE-QWHCGFSZSA-N 2 1 242.432 2.333 20 0 BEADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001246594970 973002052 /nfs/dbraw/zinc/00/20/52/973002052.db2.gz WWVVEEDDQJDVLW-KSTCHIGDSA-N 2 1 236.403 2.480 20 0 BEADMP CCCCC[C@@H](CC)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246611229 973030408 /nfs/dbraw/zinc/03/04/08/973030408.db2.gz BFOLUJWEHZXIQH-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP CC[C@H](C[C@@H](C)CC)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246616106 973034127 /nfs/dbraw/zinc/03/41/27/973034127.db2.gz YDNAESMJCWAJDZ-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP CCCCCC[C@H](C)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246660527 973076397 /nfs/dbraw/zinc/07/63/97/973076397.db2.gz UWBIDIIGXDPMIA-WUHRBBMRSA-N 2 1 210.365 2.234 20 0 BEADMP CCCC[N@@H+](CCC)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246776640 973091065 /nfs/dbraw/zinc/09/10/65/973091065.db2.gz LLVZMLLBBDKXBS-GFCCVEGCSA-N 2 1 242.432 2.346 20 0 BEADMP CC1(C)CCC[C@H]([N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)C1 ZINC001246848421 973147329 /nfs/dbraw/zinc/14/73/29/973147329.db2.gz VIAJSSHAJFGBNE-MCIONIFRSA-N 2 1 236.403 2.497 20 0 BEADMP CC1(C)CCC([N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001246846544 973147574 /nfs/dbraw/zinc/14/75/74/973147574.db2.gz OOBXKTQTQUVPOR-QWHCGFSZSA-N 2 1 236.403 2.497 20 0 BEADMP CSC(C)(C)C[C@H](C)[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246854703 973169007 /nfs/dbraw/zinc/16/90/07/973169007.db2.gz QQWKUJGHLLWIBQ-DMDPSCGWSA-N 2 1 242.432 2.330 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cnccc1C ZINC001329025141 973441319 /nfs/dbraw/zinc/44/13/19/973441319.db2.gz ZDSBPSGTXUFOAI-VXGBXAGGSA-N 2 1 221.348 2.039 20 0 BEADMP C1[NH2+][C@@H]2C[N@H+](C3CCC4(CCCC4)CC3)C[C@@H]12 ZINC001246913960 973442880 /nfs/dbraw/zinc/44/28/80/973442880.db2.gz BQANWVOZPFQZJG-TZMCWYRMSA-N 2 1 234.387 2.393 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]32)CC(C)(C)C1 ZINC001246919605 973485094 /nfs/dbraw/zinc/48/50/94/973485094.db2.gz NPXLIWBUVIXESV-FVCCEPFGSA-N 2 1 222.376 2.105 20 0 BEADMP CCCC[C@H](C)[N@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001246927745 973541691 /nfs/dbraw/zinc/54/16/91/973541691.db2.gz IAJQVYWOROSQFF-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP CCCC[C@H](C)[N@@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001246927745 973541706 /nfs/dbraw/zinc/54/17/06/973541706.db2.gz IAJQVYWOROSQFF-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@H]([NH3+])C[N@H+](C)[C@H]1Cc2cccc(Cl)c2C1 ZINC001246982518 973760202 /nfs/dbraw/zinc/76/02/02/973760202.db2.gz XHCRVNNQUSPXAS-ONGXEEELSA-N 2 1 238.762 2.086 20 0 BEADMP C[C@H]([NH3+])C[N@@H+](C)[C@H]1Cc2cccc(Cl)c2C1 ZINC001246982518 973760209 /nfs/dbraw/zinc/76/02/09/973760209.db2.gz XHCRVNNQUSPXAS-ONGXEEELSA-N 2 1 238.762 2.086 20 0 BEADMP F[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC001329499110 973800563 /nfs/dbraw/zinc/80/05/63/973800563.db2.gz ONQLGWRDYWNVCG-RQJABVFESA-N 2 1 240.366 2.484 20 0 BEADMP Cc1ccc(CC[C@@H](C)[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001171657110 974122680 /nfs/dbraw/zinc/12/26/80/974122680.db2.gz BBXAAZBFRPPKBL-UKRRQHHQSA-N 2 1 232.371 2.349 20 0 BEADMP Cc1ccc(CC[C@@H](C)[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001171657110 974122687 /nfs/dbraw/zinc/12/26/87/974122687.db2.gz BBXAAZBFRPPKBL-UKRRQHHQSA-N 2 1 232.371 2.349 20 0 BEADMP Cc1nocc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172098505 974336043 /nfs/dbraw/zinc/33/60/43/974336043.db2.gz FKPBRFSIOOYWTM-BTTYYORXSA-N 2 1 249.358 2.088 20 0 BEADMP Cc1nocc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098505 974336057 /nfs/dbraw/zinc/33/60/57/974336057.db2.gz FKPBRFSIOOYWTM-BTTYYORXSA-N 2 1 249.358 2.088 20 0 BEADMP CCOCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099520 974344731 /nfs/dbraw/zinc/34/47/31/974344731.db2.gz JAMNPKOTZZTJDW-ZSOGYDGISA-N 2 1 240.391 2.018 20 0 BEADMP Cc1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)on1 ZINC001172100507 974345087 /nfs/dbraw/zinc/34/50/87/974345087.db2.gz CXRGTPBWOBWEAN-CLLJXQQHSA-N 2 1 249.358 2.088 20 0 BEADMP Cc1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)on1 ZINC001172100507 974345096 /nfs/dbraw/zinc/34/50/96/974345096.db2.gz CXRGTPBWOBWEAN-CLLJXQQHSA-N 2 1 249.358 2.088 20 0 BEADMP CC1CC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172099707 974347240 /nfs/dbraw/zinc/34/72/40/974347240.db2.gz MYUWKPLUOBIAGO-UMHABRDISA-N 2 1 222.376 2.390 20 0 BEADMP CC1CC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172099707 974347245 /nfs/dbraw/zinc/34/72/45/974347245.db2.gz MYUWKPLUOBIAGO-UMHABRDISA-N 2 1 222.376 2.390 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)C)C2 ZINC001172099779 974348030 /nfs/dbraw/zinc/34/80/30/974348030.db2.gz KELMJZGPZUVTBD-CNDDSTCGSA-N 2 1 210.365 2.390 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)C)C2 ZINC001172099779 974348037 /nfs/dbraw/zinc/34/80/37/974348037.db2.gz KELMJZGPZUVTBD-CNDDSTCGSA-N 2 1 210.365 2.390 20 0 BEADMP CSCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172103100 974361972 /nfs/dbraw/zinc/36/19/72/974361972.db2.gz RVOAEWQSKWBUJH-XYYAHUGASA-N 2 1 242.432 2.344 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC=CC1)C2 ZINC001172104030 974364628 /nfs/dbraw/zinc/36/46/28/974364628.db2.gz YWHVQTFVPLVYBQ-ZSOGYDGISA-N 2 1 220.360 2.310 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC=CC1)C2 ZINC001172104030 974364643 /nfs/dbraw/zinc/36/46/43/974364643.db2.gz YWHVQTFVPLVYBQ-ZSOGYDGISA-N 2 1 220.360 2.310 20 0 BEADMP C[C@@H]([NH3+])c1ccn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172106281 974365331 /nfs/dbraw/zinc/36/53/31/974365331.db2.gz OUWSTKBOCHXQDI-FVCCEPFGSA-N 2 1 248.374 2.091 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC1)C2 ZINC001172113826 974381159 /nfs/dbraw/zinc/38/11/59/974381159.db2.gz MUPZERUVZABQLB-AIEDFZFUSA-N 2 1 234.387 2.390 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC1)C2 ZINC001172113826 974381167 /nfs/dbraw/zinc/38/11/67/974381167.db2.gz MUPZERUVZABQLB-AIEDFZFUSA-N 2 1 234.387 2.390 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001172318290 974528643 /nfs/dbraw/zinc/52/86/43/974528643.db2.gz IMHUZSOQJNEGRM-AVGNSLFASA-N 2 1 228.380 2.003 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CCC[C@H]([NH3+])C1 ZINC001172318290 974528654 /nfs/dbraw/zinc/52/86/54/974528654.db2.gz IMHUZSOQJNEGRM-AVGNSLFASA-N 2 1 228.380 2.003 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1COC(C)(C)C1 ZINC001172295211 974566499 /nfs/dbraw/zinc/56/64/99/974566499.db2.gz QYDWJSGJXCHHNR-CYBMUJFWSA-N 2 1 242.407 2.218 20 0 BEADMP CC(C)OCC[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001172447467 974810131 /nfs/dbraw/zinc/81/01/31/974810131.db2.gz IHOPEHQWXLYPJK-KBPBESRZSA-N 2 1 242.407 2.264 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3)[C@@H]2C1 ZINC001204089098 974865235 /nfs/dbraw/zinc/86/52/35/974865235.db2.gz KSBIZZKVSZCIAG-ZNMIVQPWSA-N 2 1 230.355 2.116 20 0 BEADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1C[C@H]1N ZINC001172840221 974955783 /nfs/dbraw/zinc/95/57/83/974955783.db2.gz CUERYRIRXHSWEK-UPZJHPNMSA-N 2 1 242.725 2.099 20 0 BEADMP C(C1CCC1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001332424678 975114025 /nfs/dbraw/zinc/11/40/25/975114025.db2.gz PFSMKABAVRIMSD-UHFFFAOYSA-N 2 1 222.376 2.252 20 0 BEADMP CC[C@@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001332425194 975114991 /nfs/dbraw/zinc/11/49/91/975114991.db2.gz XBVLBKQYPGCYJH-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP CCc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001173237539 975161417 /nfs/dbraw/zinc/16/14/17/975161417.db2.gz HZSRTULDRSVKQK-IUODEOHRSA-N 2 1 232.371 2.213 20 0 BEADMP CCc1ccc(C[C@@H](C)[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001173237539 975161425 /nfs/dbraw/zinc/16/14/25/975161425.db2.gz HZSRTULDRSVKQK-IUODEOHRSA-N 2 1 232.371 2.213 20 0 BEADMP CCSC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001173292819 975169506 /nfs/dbraw/zinc/16/95/06/975169506.db2.gz RHGGAQYLFPGFIU-RVMXOQNASA-N 2 1 242.432 2.343 20 0 BEADMP CCSC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001173292817 975170806 /nfs/dbraw/zinc/17/08/06/975170806.db2.gz RHGGAQYLFPGFIU-FVCCEPFGSA-N 2 1 242.432 2.343 20 0 BEADMP CCSC[C@@H](C)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001173310502 975222656 /nfs/dbraw/zinc/22/26/56/975222656.db2.gz YJIARXPNXWJLME-GFCCVEGCSA-N 2 1 242.432 2.298 20 0 BEADMP CC[C@H]1CC[C@@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001173278793 975235172 /nfs/dbraw/zinc/23/51/72/975235172.db2.gz FPGXTCFGWRPXFZ-LJISPDSOSA-N 2 1 236.403 2.449 20 0 BEADMP CC[C@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C1 ZINC001173278793 975235183 /nfs/dbraw/zinc/23/51/83/975235183.db2.gz FPGXTCFGWRPXFZ-LJISPDSOSA-N 2 1 236.403 2.449 20 0 BEADMP CC[C@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C1 ZINC001173278793 975235190 /nfs/dbraw/zinc/23/51/90/975235190.db2.gz FPGXTCFGWRPXFZ-LJISPDSOSA-N 2 1 236.403 2.449 20 0 BEADMP CCSC[C@H](C)n1c(C)c[nH+]c1CC[NH3+] ZINC001173290253 975259624 /nfs/dbraw/zinc/25/96/24/975259624.db2.gz CODFMKUJGLDJCS-JTQLQIEISA-N 2 1 227.377 2.007 20 0 BEADMP CC[N@H+]1CC[C@@H](n2ccc3c2cccc3C[NH3+])C1 ZINC001173347545 975287626 /nfs/dbraw/zinc/28/76/26/975287626.db2.gz DPZSSQWTOJCQAF-CYBMUJFWSA-N 2 1 243.354 2.367 20 0 BEADMP CC[N@H+]1CC[C@@H](n2cc(C[NH3+])c3ccccc32)C1 ZINC001173348858 975292367 /nfs/dbraw/zinc/29/23/67/975292367.db2.gz UHZTVIAADQJGJR-CYBMUJFWSA-N 2 1 243.354 2.367 20 0 BEADMP CC[N@H+]1CC[C@@H](n2ccc3cccc(C[NH3+])c32)C1 ZINC001173356506 975313160 /nfs/dbraw/zinc/31/31/60/975313160.db2.gz DLTPIVQJKSDUKU-CQSZACIVSA-N 2 1 243.354 2.367 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC001333599606 975882388 /nfs/dbraw/zinc/88/23/88/975882388.db2.gz XLKOYRROHFVHTG-DZGCQCFKSA-N 2 1 232.371 2.268 20 0 BEADMP CCC[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429015166 976977737 /nfs/dbraw/zinc/97/77/37/976977737.db2.gz XGDYMJUCCIUBIY-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP CCC[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429015166 976977746 /nfs/dbraw/zinc/97/77/46/976977746.db2.gz XGDYMJUCCIUBIY-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP CCC[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429015166 976977760 /nfs/dbraw/zinc/97/77/60/976977760.db2.gz XGDYMJUCCIUBIY-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP Cc1cccc2c1[nH+]c(N)n2C1=CCC[N@H+](C)C1 ZINC001175574403 977573609 /nfs/dbraw/zinc/57/36/09/977573609.db2.gz VCBQAEGGVGCHKQ-UHFFFAOYSA-N 2 1 242.326 2.103 20 0 BEADMP C[NH+](C)Cc1ccc(NC2=CCC[N@@H+](C)C2)cc1 ZINC001175576764 977592113 /nfs/dbraw/zinc/59/21/13/977592113.db2.gz SQCLEPNLTPGCOQ-UHFFFAOYSA-N 2 1 245.370 2.380 20 0 BEADMP Cc1cc(F)cc(NCC2=CC[N@@H+](C)CC2)n1 ZINC001336569441 977787055 /nfs/dbraw/zinc/78/70/55/977787055.db2.gz MWTRWOHRFXXRIC-UHFFFAOYSA-N 2 1 235.306 2.203 20 0 BEADMP CCc1ccc(NC[C@@H](C)C[NH+](C)C)[nH+]c1 ZINC001336652903 977832441 /nfs/dbraw/zinc/83/24/41/977832441.db2.gz YOHMGDHXTVTFBP-LLVKDONJSA-N 2 1 221.348 2.254 20 0 BEADMP C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232010831 977838041 /nfs/dbraw/zinc/83/80/41/977838041.db2.gz DCNAQPRGBCBKTQ-MWLCHTKSSA-N 2 1 233.290 2.495 20 0 BEADMP C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232010831 977838051 /nfs/dbraw/zinc/83/80/51/977838051.db2.gz DCNAQPRGBCBKTQ-MWLCHTKSSA-N 2 1 233.290 2.495 20 0 BEADMP C[C@H]1COCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011411 977838542 /nfs/dbraw/zinc/83/85/42/977838542.db2.gz JXYKWSLOCMNGQH-LLVKDONJSA-N 2 1 245.326 2.031 20 0 BEADMP CC[N@@H+](CCOC)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012340 977839790 /nfs/dbraw/zinc/83/97/90/977839790.db2.gz ZEUMCFCCOIUSLN-UHFFFAOYSA-N 2 1 233.315 2.031 20 0 BEADMP COC[C@H]1CCC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232010853 977839804 /nfs/dbraw/zinc/83/98/04/977839804.db2.gz DZIMNEPUQPPAAS-CYBMUJFWSA-N 2 1 245.326 2.174 20 0 BEADMP CCC[N@@H+](CCOC)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232011431 977840138 /nfs/dbraw/zinc/84/01/38/977840138.db2.gz KIEYBSYBTZEPPC-UHFFFAOYSA-N 2 1 247.342 2.421 20 0 BEADMP COc1cc[nH+]c(Nc2cc(C)[nH+]c(C)c2)c1 ZINC001176051246 977897629 /nfs/dbraw/zinc/89/76/29/977897629.db2.gz CIEXJYWYQMDJSH-UHFFFAOYSA-N 2 1 229.283 2.268 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCCC(F)F)CC1(C)C ZINC001336776532 977948704 /nfs/dbraw/zinc/94/87/04/977948704.db2.gz GNNPKGVTQMANAT-JTQLQIEISA-N 2 1 234.334 2.494 20 0 BEADMP CC/C=C\CCC[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001206269519 978013476 /nfs/dbraw/zinc/01/34/76/978013476.db2.gz POKNZHHJIQSWKS-DSYXLKISSA-N 2 1 210.365 2.274 20 0 BEADMP Cc1ccnc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC001337432179 978334808 /nfs/dbraw/zinc/33/48/08/978334808.db2.gz QNETWCAWPSZYDO-YNEHKIRRSA-N 2 1 231.343 2.142 20 0 BEADMP Cc1cc[nH+]c(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC001337432179 978334813 /nfs/dbraw/zinc/33/48/13/978334813.db2.gz QNETWCAWPSZYDO-YNEHKIRRSA-N 2 1 231.343 2.142 20 0 BEADMP Cc1cc[nH+]c(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC001337432179 978334820 /nfs/dbraw/zinc/33/48/20/978334820.db2.gz QNETWCAWPSZYDO-YNEHKIRRSA-N 2 1 231.343 2.142 20 0 BEADMP Cc1cc(F)cc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)n1 ZINC001337431703 978336067 /nfs/dbraw/zinc/33/60/67/978336067.db2.gz LURLWJIBIUMBAM-WCFLWFBJSA-N 2 1 249.333 2.281 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)ccn1 ZINC001206305095 978384641 /nfs/dbraw/zinc/38/46/41/978384641.db2.gz SVCYLTSQBAEGFT-HNNXBMFYSA-N 2 1 247.386 2.341 20 0 BEADMP CN(CC[C@@H]1CCCC[N@H+]1C)c1cc[nH+]cc1 ZINC001337710268 978471436 /nfs/dbraw/zinc/47/14/36/978471436.db2.gz SNKHOSSDMHCELL-ZDUSSCGKSA-N 2 1 233.359 2.392 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CCC[C@H](OC)C1 ZINC000069846601 978763182 /nfs/dbraw/zinc/76/31/82/978763182.db2.gz QBEYDSJLKQOUCJ-OLZOCXBDSA-N 2 1 228.380 2.005 20 0 BEADMP c1cc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc[nH+]1 ZINC001339463825 978854944 /nfs/dbraw/zinc/85/49/44/978854944.db2.gz FLWVQARIYUYPAX-CQSZACIVSA-N 2 1 245.370 2.037 20 0 BEADMP CS[C@H](C)CC[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235120398 978977702 /nfs/dbraw/zinc/97/77/02/978977702.db2.gz AMTLETVRWAFACP-OLZOCXBDSA-N 2 1 242.432 2.346 20 0 BEADMP CS[C@H](C)CC[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235120398 978977704 /nfs/dbraw/zinc/97/77/04/978977704.db2.gz AMTLETVRWAFACP-OLZOCXBDSA-N 2 1 242.432 2.346 20 0 BEADMP [NH3+][C@@]12C[C@@H]1CC[N@H+](CC1(c3ccccc3)CC1)C2 ZINC001235165246 978985851 /nfs/dbraw/zinc/98/58/51/978985851.db2.gz HRGVVALZWGQDCK-GOEBONIOSA-N 2 1 242.366 2.141 20 0 BEADMP [NH3+][C@@]12C[C@@H]1CC[N@@H+](CC1(c3ccccc3)CC1)C2 ZINC001235165246 978985862 /nfs/dbraw/zinc/98/58/62/978985862.db2.gz HRGVVALZWGQDCK-GOEBONIOSA-N 2 1 242.366 2.141 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235176296 978989175 /nfs/dbraw/zinc/98/91/75/978989175.db2.gz ZYZGNYNNUMFXQZ-HZSPNIEDSA-N 2 1 222.376 2.251 20 0 BEADMP CC(C)(C)c1cccc(C[N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)c1 ZINC001235210592 978998394 /nfs/dbraw/zinc/99/83/94/978998394.db2.gz NXGLQPKBJUXSKA-FICVDOATSA-N 2 1 244.382 2.373 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]32)CC1 ZINC001235212283 978998961 /nfs/dbraw/zinc/99/89/61/978998961.db2.gz CJSXUKUESKONGD-BYNSBNAKSA-N 2 1 234.387 2.273 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@H]3CC[NH2+]C[C@H]32)CC1 ZINC001235212283 978998965 /nfs/dbraw/zinc/99/89/65/978998965.db2.gz CJSXUKUESKONGD-BYNSBNAKSA-N 2 1 234.387 2.273 20 0 BEADMP CC1=C[C@@H](C)[C@@H](C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]32)CC1 ZINC001235212286 978999838 /nfs/dbraw/zinc/99/98/38/978999838.db2.gz CJSXUKUESKONGD-KBUPBQIOSA-N 2 1 234.387 2.273 20 0 BEADMP CC1=C[C@@H](C)[C@@H](C[N@H+]2C[C@H]3CC[NH2+]C[C@H]32)CC1 ZINC001235212286 978999842 /nfs/dbraw/zinc/99/98/42/978999842.db2.gz CJSXUKUESKONGD-KBUPBQIOSA-N 2 1 234.387 2.273 20 0 BEADMP CCC[C@@H](C)C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235210330 979001152 /nfs/dbraw/zinc/00/11/52/979001152.db2.gz XXZBUSFFINEQTL-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP CCc1cccc(C)c1C[N@@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235264052 979015560 /nfs/dbraw/zinc/01/55/60/979015560.db2.gz VVTXWDYRMHLAPU-HOCLYGCPSA-N 2 1 244.382 2.351 20 0 BEADMP CCc1cccc(C)c1C[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235264052 979015566 /nfs/dbraw/zinc/01/55/66/979015566.db2.gz VVTXWDYRMHLAPU-HOCLYGCPSA-N 2 1 244.382 2.351 20 0 BEADMP CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001235283252 979016928 /nfs/dbraw/zinc/01/69/28/979016928.db2.gz LUBSBRGFOTUZPH-FVCCEPFGSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@@H](CC[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1)CC(C)(C)C ZINC001235284474 979017846 /nfs/dbraw/zinc/01/78/46/979017846.db2.gz XLWWUBYWJDUQTE-RVMXOQNASA-N 2 1 224.392 2.338 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235410499 979041140 /nfs/dbraw/zinc/04/11/40/979041140.db2.gz YGCVCCVTOMHDNB-KGLIPLIRSA-N 2 1 242.382 2.446 20 0 BEADMP [NH3+]CCCC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC001235680249 979119434 /nfs/dbraw/zinc/11/94/34/979119434.db2.gz SJWYMJOLMIWVGF-AWEZNQCLSA-N 2 1 233.359 2.348 20 0 BEADMP CCCCCC[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235712034 979127327 /nfs/dbraw/zinc/12/73/27/979127327.db2.gz YFUFLKBDDMHOJK-UHFFFAOYSA-N 2 1 210.365 2.252 20 0 BEADMP [NH3+]CCCC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001235713440 979130738 /nfs/dbraw/zinc/13/07/38/979130738.db2.gz AHDANAPFQMAREO-HNNXBMFYSA-N 2 1 232.371 2.290 20 0 BEADMP Cc1cccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)c1C ZINC001235710817 979130864 /nfs/dbraw/zinc/13/08/64/979130864.db2.gz GMCWPOXLTCGFGG-UHFFFAOYSA-N 2 1 244.382 2.489 20 0 BEADMP CC[C@@H]1CCCC[N@@H+]1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235926346 979206787 /nfs/dbraw/zinc/20/67/87/979206787.db2.gz ZPGVBXOGNFINIP-QWHCGFSZSA-N 2 1 240.391 2.366 20 0 BEADMP CC[C@@H]1CCCC[N@H+]1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235926346 979206797 /nfs/dbraw/zinc/20/67/97/979206797.db2.gz ZPGVBXOGNFINIP-QWHCGFSZSA-N 2 1 240.391 2.366 20 0 BEADMP Cc1cccc(C[N@@H+](CC[NH3+])C(C)C)c1C ZINC001235948878 979216817 /nfs/dbraw/zinc/21/68/17/979216817.db2.gz VJFSOZAGBPMWMK-UHFFFAOYSA-N 2 1 220.360 2.473 20 0 BEADMP Cc1cccc(C[N@H+](CC[NH3+])C(C)C)c1C ZINC001235948878 979216823 /nfs/dbraw/zinc/21/68/23/979216823.db2.gz VJFSOZAGBPMWMK-UHFFFAOYSA-N 2 1 220.360 2.473 20 0 BEADMP [NH3+]CCCC[N@H+]1CC[C@@H]1c1ccccc1 ZINC001235949850 979218508 /nfs/dbraw/zinc/21/85/08/979218508.db2.gz VAWUEZKPAQEHLN-CYBMUJFWSA-N 2 1 204.317 2.172 20 0 BEADMP C[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)CC1CCCC1 ZINC001235959061 979228926 /nfs/dbraw/zinc/22/89/26/979228926.db2.gz QXFVPWSHJFSGBY-ZDUSSCGKSA-N 2 1 240.391 2.223 20 0 BEADMP C[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)CC1CCCC1 ZINC001235959061 979228934 /nfs/dbraw/zinc/22/89/34/979228934.db2.gz QXFVPWSHJFSGBY-ZDUSSCGKSA-N 2 1 240.391 2.223 20 0 BEADMP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1cccc3[nH]ccc31)C2 ZINC001235977181 979244001 /nfs/dbraw/zinc/24/40/01/979244001.db2.gz FSURVYJUBPTFLH-WFASDCNBSA-N 2 1 241.338 2.091 20 0 BEADMP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1cccc3[nH]ccc31)C2 ZINC001235977181 979244014 /nfs/dbraw/zinc/24/40/14/979244014.db2.gz FSURVYJUBPTFLH-WFASDCNBSA-N 2 1 241.338 2.091 20 0 BEADMP Cc1cc(C)cc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235977250 979245245 /nfs/dbraw/zinc/24/52/45/979245245.db2.gz GEERZGFKHRQHEH-LSDHHAIUSA-N 2 1 230.355 2.227 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235977250 979245252 /nfs/dbraw/zinc/24/52/52/979245252.db2.gz GEERZGFKHRQHEH-LSDHHAIUSA-N 2 1 230.355 2.227 20 0 BEADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](CCCc1ccc(F)cc1)C2 ZINC001235981480 979256901 /nfs/dbraw/zinc/25/69/01/979256901.db2.gz VZKSCWOWWVWSTD-UKRRQHHQSA-N 2 1 248.345 2.181 20 0 BEADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](CCCc1ccc(F)cc1)C2 ZINC001235981480 979256906 /nfs/dbraw/zinc/25/69/06/979256906.db2.gz VZKSCWOWWVWSTD-UKRRQHHQSA-N 2 1 248.345 2.181 20 0 BEADMP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236061011 979354312 /nfs/dbraw/zinc/35/43/12/979354312.db2.gz URJXLTKJIYHOQG-STQMWFEESA-N 2 1 210.365 2.106 20 0 BEADMP CCC[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236060421 979354414 /nfs/dbraw/zinc/35/44/14/979354414.db2.gz QDVLEQTXOQYKFW-AGIUHOORSA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@H+](CCCC1CCCC1)CC[NH2+]C ZINC001236145407 979414267 /nfs/dbraw/zinc/41/42/67/979414267.db2.gz XEQQEEHZRGIBKC-UHFFFAOYSA-N 2 1 212.381 2.498 20 0 BEADMP CC[N@@H+](CCCC1CCCC1)CC[NH2+]C ZINC001236145407 979414278 /nfs/dbraw/zinc/41/42/78/979414278.db2.gz XEQQEEHZRGIBKC-UHFFFAOYSA-N 2 1 212.381 2.498 20 0 BEADMP C[NH2+]C1CCC([N@@H+](C)Cc2cccc(N)c2)CC1 ZINC001236215228 979453199 /nfs/dbraw/zinc/45/31/99/979453199.db2.gz LHSLHKATLJJSFA-UHFFFAOYSA-N 2 1 247.386 2.231 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC001236242732 979463064 /nfs/dbraw/zinc/46/30/64/979463064.db2.gz HRMVKFQPAXCPTR-GFCCVEGCSA-N 2 1 229.327 2.091 20 0 BEADMP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc2[nH]ccc21 ZINC001236242732 979463072 /nfs/dbraw/zinc/46/30/72/979463072.db2.gz HRMVKFQPAXCPTR-GFCCVEGCSA-N 2 1 229.327 2.091 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2CC[NH2+]CC[C@H]2C)c1 ZINC000085622244 979523720 /nfs/dbraw/zinc/52/37/20/979523720.db2.gz WQWHVXXTMISHCS-CQSZACIVSA-N 2 1 232.371 2.487 20 0 BEADMP c1csc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236313978 979524498 /nfs/dbraw/zinc/52/44/98/979524498.db2.gz CVDKNLNWJUMPFF-TXEJJXNPSA-N 2 1 236.384 2.180 20 0 BEADMP CCc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)o1 ZINC001236317140 979529459 /nfs/dbraw/zinc/52/94/59/979529459.db2.gz UHJRTWMNLJUOPB-BETUJISGSA-N 2 1 248.370 2.273 20 0 BEADMP Nc1cc(Nc2c[nH+]c3ccccn23)cc[nH+]1 ZINC001206527805 979562848 /nfs/dbraw/zinc/56/28/48/979562848.db2.gz FKZYZJJAPRHXKJ-UHFFFAOYSA-N 2 1 225.255 2.055 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206542133 979647983 /nfs/dbraw/zinc/64/79/83/979647983.db2.gz SEOUNJNWKIDIHM-FRRDWIJNSA-N 2 1 210.365 2.093 20 0 BEADMP C[C@@]1([NH3+])CCC[N@@H+](CCc2ccccc2)CC1 ZINC001205257162 979754894 /nfs/dbraw/zinc/75/48/94/979754894.db2.gz SWFAARYPYKHJKR-OAHLLOKOSA-N 2 1 232.371 2.432 20 0 BEADMP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(O)c2ccccc12 ZINC001236895687 979787524 /nfs/dbraw/zinc/78/75/24/979787524.db2.gz VXLNGPIPHBIFAM-NSHDSACASA-N 2 1 244.338 2.324 20 0 BEADMP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(O)c2ccccc12 ZINC001236895687 979787528 /nfs/dbraw/zinc/78/75/28/979787528.db2.gz VXLNGPIPHBIFAM-NSHDSACASA-N 2 1 244.338 2.324 20 0 BEADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCOCC1 ZINC001342606643 979838944 /nfs/dbraw/zinc/83/89/44/979838944.db2.gz GQGUDODNBVHASS-HZSPNIEDSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1c[nH]c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1C ZINC001205273675 979839138 /nfs/dbraw/zinc/83/91/38/979839138.db2.gz OGIZQSACSGNWLG-CQSZACIVSA-N 2 1 235.375 2.335 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)o1 ZINC001237382193 979877930 /nfs/dbraw/zinc/87/79/30/979877930.db2.gz MDCYDEBATOYATP-OCCSQVGLSA-N 2 1 234.343 2.162 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)o1 ZINC001237382193 979877937 /nfs/dbraw/zinc/87/79/37/979877937.db2.gz MDCYDEBATOYATP-OCCSQVGLSA-N 2 1 234.343 2.162 20 0 BEADMP CS[C@H](C)CC[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237383615 979881604 /nfs/dbraw/zinc/88/16/04/979881604.db2.gz QQAIOHKBXDQBBJ-JHJVBQTASA-N 2 1 242.432 2.202 20 0 BEADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001184386308 980057281 /nfs/dbraw/zinc/05/72/81/980057281.db2.gz BRKGZNJAWKPDFQ-HTVCTNPSSA-N 2 1 224.392 2.351 20 0 BEADMP Cc1ccc(O)cc1C[N@H+](C)C1CCN(C)CC1 ZINC001238094662 980145983 /nfs/dbraw/zinc/14/59/83/980145983.db2.gz AMIPAMZALDEWQK-UHFFFAOYSA-N 2 1 248.370 2.227 20 0 BEADMP C[C@H]1CC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238105929 980157816 /nfs/dbraw/zinc/15/78/16/980157816.db2.gz GSQCTRAFEOKPJR-NSHDSACASA-N 2 1 215.300 2.176 20 0 BEADMP C[C@H]1CC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238105929 980157824 /nfs/dbraw/zinc/15/78/24/980157824.db2.gz GSQCTRAFEOKPJR-NSHDSACASA-N 2 1 215.300 2.176 20 0 BEADMP Cc1ccc(C[N@H+]2CC[NH2+]CC[C@H]2C)c(C)c1 ZINC001205325959 980196634 /nfs/dbraw/zinc/19/66/34/980196634.db2.gz SINPSFUUTVPWCI-CQSZACIVSA-N 2 1 232.371 2.487 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[NH2+]CC[C@H]2C)c(C)c1 ZINC001205325959 980196639 /nfs/dbraw/zinc/19/66/39/980196639.db2.gz SINPSFUUTVPWCI-CQSZACIVSA-N 2 1 232.371 2.487 20 0 BEADMP C([C@H]1CC2CCC1CC2)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000691659591 980379111 /nfs/dbraw/zinc/37/91/11/980379111.db2.gz GYRRWGCKKZFABC-QDIHITRGSA-N 2 1 248.414 2.498 20 0 BEADMP [NH3+]CCC[N@H+]1Cc2ccccc2C2(CCC2)C1 ZINC000334970131 980499986 /nfs/dbraw/zinc/49/99/86/980499986.db2.gz QBMKTMJWKHEVLC-UHFFFAOYSA-N 2 1 230.355 2.273 20 0 BEADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccs2)CC1 ZINC001205545269 980945247 /nfs/dbraw/zinc/94/52/47/980945247.db2.gz BOJIFIOAUJKAGB-GFCCVEGCSA-N 2 1 242.363 2.401 20 0 BEADMP CC(C)CC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205601378 981161539 /nfs/dbraw/zinc/16/15/39/981161539.db2.gz DYELBMKBBNTSGJ-QWHCGFSZSA-N 2 1 212.381 2.339 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccccc1F ZINC001348851714 981459772 /nfs/dbraw/zinc/45/97/72/981459772.db2.gz GEPURRBEPWPYON-MNOVXSKESA-N 2 1 224.323 2.474 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCCC(F)F)[C@H]2CCC[C@@H]21 ZINC001350635595 982037979 /nfs/dbraw/zinc/03/79/79/982037979.db2.gz DWOVKILKRADBJP-WOPDTQHZSA-N 2 1 246.345 2.494 20 0 BEADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cs1 ZINC001350911543 982121652 /nfs/dbraw/zinc/12/16/52/982121652.db2.gz ZUXNDVJVGICTIV-QWHCGFSZSA-N 2 1 236.384 2.098 20 0 BEADMP C[N@@H+]1CC=C(c2ccc3c[nH+]cn3c2)CC1 ZINC001241319127 982472711 /nfs/dbraw/zinc/47/27/11/982472711.db2.gz CTAPRCAHHAQCNS-UHFFFAOYSA-N 2 1 213.284 2.053 20 0 BEADMP C[NH+](C)Cc1ccc(C2=CC[N@@H+](C)CC2)cc1 ZINC001241328040 982487221 /nfs/dbraw/zinc/48/72/21/982487221.db2.gz VZCVUXTWJFBPFW-UHFFFAOYSA-N 2 1 230.355 2.467 20 0 BEADMP C[N@H+]1CCC=C(c2cccc(C3([NH3+])CC3)c2)C1 ZINC001241569941 982818505 /nfs/dbraw/zinc/81/85/05/982818505.db2.gz DBADREPTLVYNRE-UHFFFAOYSA-N 2 1 228.339 2.353 20 0 BEADMP C[N@H+]1CCC=C(c2cccc(C[NH3+])c2F)C1 ZINC001241570872 982822560 /nfs/dbraw/zinc/82/25/60/982822560.db2.gz PHGIHNONEOSEEN-UHFFFAOYSA-N 2 1 220.291 2.003 20 0 BEADMP C[C@@H]([NH3+])c1ccc(C2=CCC[N@@H+](C)C2)cc1 ZINC001241570524 982823994 /nfs/dbraw/zinc/82/39/94/982823994.db2.gz JGWDBADCMCTEQJ-LLVKDONJSA-N 2 1 216.328 2.425 20 0 BEADMP Fc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037408210 982942631 /nfs/dbraw/zinc/94/26/31/982942631.db2.gz INAOTRDGMAUPPL-ZDUSSCGKSA-N 2 1 248.345 2.400 20 0 BEADMP CC[C@H](C)C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001201502796 983269767 /nfs/dbraw/zinc/26/97/67/983269767.db2.gz KYPQDQKKXUJRGW-ZDUSSCGKSA-N 2 1 236.403 2.450 20 0 BEADMP CC[C@H](C)C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001201502796 983269772 /nfs/dbraw/zinc/26/97/72/983269772.db2.gz KYPQDQKKXUJRGW-ZDUSSCGKSA-N 2 1 236.403 2.450 20 0 BEADMP Cc1cc(N)[nH+]cc1-c1cccc2c1C[NH2+]C2 ZINC001242090431 983335973 /nfs/dbraw/zinc/33/59/73/983335973.db2.gz SMGXKXBDEZWGCO-UHFFFAOYSA-N 2 1 225.295 2.242 20 0 BEADMP Cc1cc(N)[nH+]cc1-c1ccccc1CC[NH3+] ZINC001242090788 983337878 /nfs/dbraw/zinc/33/78/78/983337878.db2.gz UYJGSQMVSLTING-UHFFFAOYSA-N 2 1 227.311 2.140 20 0 BEADMP Cc1cc(N)[nH+]cc1-c1cccc2c1C[NH2+]CC2 ZINC001242090623 983338060 /nfs/dbraw/zinc/33/80/60/983338060.db2.gz VZAZKDCSLFIRKH-UHFFFAOYSA-N 2 1 239.322 2.285 20 0 BEADMP CC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001201587732 983349877 /nfs/dbraw/zinc/34/98/77/983349877.db2.gz XFDKMCLDPCNZCF-CVEARBPZSA-N 2 1 244.382 2.460 20 0 BEADMP CC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201587732 983349882 /nfs/dbraw/zinc/34/98/82/983349882.db2.gz XFDKMCLDPCNZCF-CVEARBPZSA-N 2 1 244.382 2.460 20 0 BEADMP CC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201587732 983349889 /nfs/dbraw/zinc/34/98/89/983349889.db2.gz XFDKMCLDPCNZCF-CVEARBPZSA-N 2 1 244.382 2.460 20 0 BEADMP CCC[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001201643475 983397703 /nfs/dbraw/zinc/39/77/03/983397703.db2.gz MSGVFCQVBNZINX-UHFFFAOYSA-N 2 1 212.381 2.449 20 0 BEADMP CCCCCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001201747170 983456195 /nfs/dbraw/zinc/45/61/95/983456195.db2.gz WOVWKFWADODSEJ-KGLIPLIRSA-N 2 1 224.392 2.450 20 0 BEADMP CC(C)[NH+]1CCC(C[N@@H+](C)CC2CC2)CC1 ZINC001201932792 983504249 /nfs/dbraw/zinc/50/42/49/983504249.db2.gz QFDAOJYUVPPIMK-UHFFFAOYSA-N 2 1 224.392 2.449 20 0 BEADMP C(C1CCCC1)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001202204693 983597114 /nfs/dbraw/zinc/59/71/14/983597114.db2.gz AEPXEZXNGBHMON-UHFFFAOYSA-N 2 1 222.376 2.347 20 0 BEADMP FC(F)(F)CCC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001202432984 983674630 /nfs/dbraw/zinc/67/46/30/983674630.db2.gz DQZGNYZJLKXGLM-UHFFFAOYSA-N 2 1 247.264 2.084 20 0 BEADMP FC(F)(F)CCC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001202432984 983674639 /nfs/dbraw/zinc/67/46/39/983674639.db2.gz DQZGNYZJLKXGLM-UHFFFAOYSA-N 2 1 247.264 2.084 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC001474302671 983903174 /nfs/dbraw/zinc/90/31/74/983903174.db2.gz CKULLGIGSYMHSY-ARFHVFGLSA-N 2 1 244.382 2.425 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+]C/C=C/c1cccc(F)c1 ZINC001576105049 984150376 /nfs/dbraw/zinc/15/03/76/984150376.db2.gz NABOXLZEIKFCAG-LJRGRFNSSA-N 2 1 222.307 2.164 20 0 BEADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc[nH]1 ZINC001204011006 984170949 /nfs/dbraw/zinc/17/09/49/984170949.db2.gz VCXPYBUJYOUEEM-UHFFFAOYSA-N 2 1 223.364 2.178 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc[nH]1 ZINC001204011006 984170956 /nfs/dbraw/zinc/17/09/56/984170956.db2.gz VCXPYBUJYOUEEM-UHFFFAOYSA-N 2 1 223.364 2.178 20 0 BEADMP CC[C@@H](C)CC[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001576983621 984187500 /nfs/dbraw/zinc/18/75/00/984187500.db2.gz CFXWWKONBHOFDU-RKDXNWHRSA-N 2 1 226.286 2.292 20 0 BEADMP C[C@H]1C[N@@H+](CC2CCC2)CCC[C@H]1C[NH3+] ZINC001205983882 984214429 /nfs/dbraw/zinc/21/44/29/984214429.db2.gz PVOLCLPQHRVRIP-AAEUAGOBSA-N 2 1 210.365 2.093 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC001578638376 984217007 /nfs/dbraw/zinc/21/70/07/984217007.db2.gz MRTQEUUIXKUUDO-JKDOVBDQSA-N 2 1 236.334 2.269 20 0 BEADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001275044661 984448946 /nfs/dbraw/zinc/44/89/46/984448946.db2.gz CWOKPKXARWSKJU-UHFFFAOYSA-N 2 1 247.386 2.323 20 0 BEADMP CC[C@H](C)C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001275061850 984454675 /nfs/dbraw/zinc/45/46/75/984454675.db2.gz LSYZBOJXHLWSFH-MELADBBJSA-N 2 1 224.392 2.306 20 0 BEADMP CC[C@H](C)C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001275061850 984454685 /nfs/dbraw/zinc/45/46/85/984454685.db2.gz LSYZBOJXHLWSFH-MELADBBJSA-N 2 1 224.392 2.306 20 0 BEADMP CC[C@H](C)C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001275061850 984454703 /nfs/dbraw/zinc/45/47/03/984454703.db2.gz LSYZBOJXHLWSFH-MELADBBJSA-N 2 1 224.392 2.306 20 0 BEADMP CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275084979 984477122 /nfs/dbraw/zinc/47/71/22/984477122.db2.gz KBQCMRLTZBXRLT-OKILXGFUSA-N 2 1 247.386 2.178 20 0 BEADMP CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275084979 984477138 /nfs/dbraw/zinc/47/71/38/984477138.db2.gz KBQCMRLTZBXRLT-OKILXGFUSA-N 2 1 247.386 2.178 20 0 BEADMP CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275084979 984477148 /nfs/dbraw/zinc/47/71/48/984477148.db2.gz KBQCMRLTZBXRLT-OKILXGFUSA-N 2 1 247.386 2.178 20 0 BEADMP CSCCC[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001275109832 984493004 /nfs/dbraw/zinc/49/30/04/984493004.db2.gz QUTPOOGPDLJUDS-UHFFFAOYSA-N 2 1 242.432 2.157 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001276031481 984788889 /nfs/dbraw/zinc/78/88/89/984788889.db2.gz HRLNDIDBRFKFLV-CHWSQXEVSA-N 2 1 222.376 2.060 20 0 BEADMP CN(C)CCC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925500803 984826786 /nfs/dbraw/zinc/82/67/86/984826786.db2.gz FSIXWSWLRCGJOU-HNNXBMFYSA-N 2 1 249.402 2.008 20 0 BEADMP CCOc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)o1 ZINC001578179395 984866662 /nfs/dbraw/zinc/86/66/62/984866662.db2.gz HQHLGDSQOADMFL-GFCCVEGCSA-N 2 1 240.347 2.141 20 0 BEADMP CCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001257326532 984895558 /nfs/dbraw/zinc/89/55/58/984895558.db2.gz BITQQQYMGOOJSK-UPJWGTAASA-N 2 1 210.365 2.059 20 0 BEADMP CCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001257326532 984895562 /nfs/dbraw/zinc/89/55/62/984895562.db2.gz BITQQQYMGOOJSK-UPJWGTAASA-N 2 1 210.365 2.059 20 0 BEADMP CCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001257326532 984895567 /nfs/dbraw/zinc/89/55/67/984895567.db2.gz BITQQQYMGOOJSK-UPJWGTAASA-N 2 1 210.365 2.059 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)nc1 ZINC001578260057 984913754 /nfs/dbraw/zinc/91/37/54/984913754.db2.gz ZXIYFMNJBGNITB-TZMCWYRMSA-N 2 1 247.386 2.061 20 0 BEADMP C[NH2+]CCC[N@H+]1CC=CC12CCCCC2 ZINC001578687354 985295123 /nfs/dbraw/zinc/29/51/23/985295123.db2.gz WDPHAWBRFIMIOG-UHFFFAOYSA-N 2 1 208.349 2.171 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC000688370554 985626158 /nfs/dbraw/zinc/62/61/58/985626158.db2.gz HNHYNMRSJHDYLZ-ZDUSSCGKSA-N 2 1 210.365 2.237 20 0 BEADMP CSC1(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)CCC1 ZINC001579364908 985861427 /nfs/dbraw/zinc/86/14/27/985861427.db2.gz FOYLHZOBKRYPLE-VXGBXAGGSA-N 2 1 242.432 2.189 20 0 BEADMP C[C@@H](CC1CC1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258473543 985936126 /nfs/dbraw/zinc/93/61/26/985936126.db2.gz NKSKXIOMMNKXRW-JSGCOSHPSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H](CC1CC1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001258473543 985936143 /nfs/dbraw/zinc/93/61/43/985936143.db2.gz NKSKXIOMMNKXRW-JSGCOSHPSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H](CC1CC1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001258473543 985936150 /nfs/dbraw/zinc/93/61/50/985936150.db2.gz NKSKXIOMMNKXRW-JSGCOSHPSA-N 2 1 222.376 2.203 20 0 BEADMP [NH3+]C[C@@H]1CCCC[N@@H+](CCCc2cccnc2)C1 ZINC001206607142 985957383 /nfs/dbraw/zinc/95/73/83/985957383.db2.gz WOAHOUZQWWIUBN-HNNXBMFYSA-N 2 1 247.386 2.075 20 0 BEADMP Cc1ccc(CC[N@H+](C)C2CC([NH3+])C2)cc1C ZINC001579685303 986176759 /nfs/dbraw/zinc/17/67/59/986176759.db2.gz JFFVRGMSDYVVJT-UHFFFAOYSA-N 2 1 232.371 2.267 20 0 BEADMP FC1(F)C[C@@]12CCC[N@H+](CCC[NH2+]C1CC1)C2 ZINC001580023665 986419354 /nfs/dbraw/zinc/41/93/54/986419354.db2.gz AFQBEPGAZOCTSI-GFCCVEGCSA-N 2 1 244.329 2.250 20 0 BEADMP FC1(F)C[C@@]12CCC[N@@H+](CCC[NH2+]C1CC1)C2 ZINC001580023665 986419367 /nfs/dbraw/zinc/41/93/67/986419367.db2.gz AFQBEPGAZOCTSI-GFCCVEGCSA-N 2 1 244.329 2.250 20 0 BEADMP Fc1cccc(C2CC([NH2+]C[C@H]3CC[NH2+]3)C2)c1 ZINC001580033733 986435359 /nfs/dbraw/zinc/43/53/59/986435359.db2.gz ZSPNHTVFQDGNQN-HRDQMINSSA-N 2 1 234.318 2.023 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H]3C3CCC3)[C@@H]2C1 ZINC001462674639 986500229 /nfs/dbraw/zinc/50/02/29/986500229.db2.gz YXXHIYMLCXKQJR-GCSSGZNBSA-N 2 1 248.414 2.495 20 0 BEADMP C[C@]1(C[N@H+]2CCC[C@@H](CCF)C2)CCC[NH2+]C1 ZINC000689421673 986579098 /nfs/dbraw/zinc/57/90/98/986579098.db2.gz MGZCUYDGDYBFFS-KBPBESRZSA-N 2 1 242.382 2.448 20 0 BEADMP C[C@H]1C[N@H+]([C@H]2CCC[NH+](C)CC2)CCC1(F)F ZINC001254516814 986657398 /nfs/dbraw/zinc/65/73/98/986657398.db2.gz QAYPYOGYXZBCRG-RYUDHWBXSA-N 2 1 246.345 2.448 20 0 BEADMP C[C@H]1C[NH+]([C@H]2CCC[N@H+](C)CC2)CCC1(F)F ZINC001254516814 986657413 /nfs/dbraw/zinc/65/74/13/986657413.db2.gz QAYPYOGYXZBCRG-RYUDHWBXSA-N 2 1 246.345 2.448 20 0 BEADMP C[C@H]1C[NH+]([C@H]2CCC[N@@H+](C)CC2)CCC1(F)F ZINC001254516814 986657425 /nfs/dbraw/zinc/65/74/25/986657425.db2.gz QAYPYOGYXZBCRG-RYUDHWBXSA-N 2 1 246.345 2.448 20 0 BEADMP C[C@@H]1CCCC[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254515816 986666981 /nfs/dbraw/zinc/66/69/81/986666981.db2.gz DKZZQTDVHDGXDD-CHWSQXEVSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@@H]1CCCC[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254515816 986667004 /nfs/dbraw/zinc/66/70/04/986667004.db2.gz DKZZQTDVHDGXDD-CHWSQXEVSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@@H]1CCCC[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254515816 986667026 /nfs/dbraw/zinc/66/70/26/986667026.db2.gz DKZZQTDVHDGXDD-CHWSQXEVSA-N 2 1 210.365 2.345 20 0 BEADMP [NH3+]C[C@@H]([NH2+]CCCCc1ccccc1)C1CC1 ZINC001580230095 986678395 /nfs/dbraw/zinc/67/83/95/986678395.db2.gz ZLCLSTKNEDONEB-OAHLLOKOSA-N 2 1 232.371 2.336 20 0 BEADMP [NH3+]CCC[N@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001580298693 986738375 /nfs/dbraw/zinc/73/83/75/986738375.db2.gz YIRRYLTWRHGKKN-CQSZACIVSA-N 2 1 248.370 2.138 20 0 BEADMP Cc1cc(C)c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)[nH]1 ZINC001137323926 986773466 /nfs/dbraw/zinc/77/34/66/986773466.db2.gz DAEBLUOZRNFUME-KGLIPLIRSA-N 2 1 247.386 2.015 20 0 BEADMP Cc1cc(C)c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)[nH]1 ZINC001137323926 986773477 /nfs/dbraw/zinc/77/34/77/986773477.db2.gz DAEBLUOZRNFUME-KGLIPLIRSA-N 2 1 247.386 2.015 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)[nH]1 ZINC001137323926 986773486 /nfs/dbraw/zinc/77/34/86/986773486.db2.gz DAEBLUOZRNFUME-KGLIPLIRSA-N 2 1 247.386 2.015 20 0 BEADMP C[N@H+]1CC[C@H](n2c(C[NH3+])cc3cccc(F)c32)C1 ZINC001255426292 986947589 /nfs/dbraw/zinc/94/75/89/986947589.db2.gz MSBUDZBIMHDIEE-NSHDSACASA-N 2 1 247.317 2.116 20 0 BEADMP C[NH2+]Cc1ccc2c(ccn2[C@H]2CC[N@@H+](C)C2)c1 ZINC001255432827 986952316 /nfs/dbraw/zinc/95/23/16/986952316.db2.gz UQPCWBAKYSTSJF-AWEZNQCLSA-N 2 1 243.354 2.237 20 0 BEADMP CCCCC[C@H](O)C[NH2+]C[C@]1(CC)CCC[NH2+]1 ZINC001246018050 987299793 /nfs/dbraw/zinc/29/97/93/987299793.db2.gz LNBRJYDMEFRFIR-KBPBESRZSA-N 2 1 242.407 2.049 20 0 BEADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000697017470 987342533 /nfs/dbraw/zinc/34/25/33/987342533.db2.gz SPJYCACUJLJFEM-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000697017471 987344528 /nfs/dbraw/zinc/34/45/28/987344528.db2.gz SPJYCACUJLJFEM-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000697044069 987346597 /nfs/dbraw/zinc/34/65/97/987346597.db2.gz ZEMJLSWVOCGFDM-CHWSQXEVSA-N 2 1 210.365 2.108 20 0 BEADMP CC[C@]1(C)CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000697036856 987346970 /nfs/dbraw/zinc/34/69/70/987346970.db2.gz MSSRCJHNDAUIHS-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)[C@H]1C ZINC000697017858 987347550 /nfs/dbraw/zinc/34/75/50/987347550.db2.gz VAMPCPLXFRXPOG-AGIUHOORSA-N 2 1 210.365 2.106 20 0 BEADMP C[N@@H+](C[C@@H]1CCCC[NH2+]C1)CC(C)(C)C ZINC000697050642 987347634 /nfs/dbraw/zinc/34/76/34/987347634.db2.gz FAYQBNNNYTVKNS-GFCCVEGCSA-N 2 1 212.381 2.354 20 0 BEADMP CC[N@@H+](Cc1ccccn1)C[C@H]1CCCC[NH2+]C1 ZINC000697091155 987351654 /nfs/dbraw/zinc/35/16/54/987351654.db2.gz UGNFALDSSUNHRQ-AWEZNQCLSA-N 2 1 247.386 2.293 20 0 BEADMP CC[N@H+](Cc1ccccn1)C[C@H]1CCCC[NH2+]C1 ZINC000697091155 987351661 /nfs/dbraw/zinc/35/16/61/987351661.db2.gz UGNFALDSSUNHRQ-AWEZNQCLSA-N 2 1 247.386 2.293 20 0 BEADMP C[NH2+]CC[NH2+][C@H](Cc1ccccc1)CC(C)C ZINC001246072983 987359233 /nfs/dbraw/zinc/35/92/33/987359233.db2.gz OOVVGFLKQBCGDM-HNNXBMFYSA-N 2 1 234.387 2.453 20 0 BEADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)CC(F)F ZINC000697713463 987365751 /nfs/dbraw/zinc/36/57/51/987365751.db2.gz GWHNVSWJNUNKHA-WAAKLRNESA-N 2 1 246.345 2.493 20 0 BEADMP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246087704 987390194 /nfs/dbraw/zinc/39/01/94/987390194.db2.gz ZWXHGLQAHREZNT-RNJOBUHISA-N 2 1 210.365 2.295 20 0 BEADMP CC[C@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC001246117855 987462552 /nfs/dbraw/zinc/46/25/52/987462552.db2.gz MGYDQZSXIYEYTJ-MROQNXINSA-N 2 1 210.365 2.153 20 0 BEADMP Cc1ccc(C[C@@H](C)[NH2+][C@H]2C[NH2+]CC23CC3)cc1 ZINC001246130678 987484135 /nfs/dbraw/zinc/48/41/35/987484135.db2.gz JCAOITBFUNQZDZ-HIFRSBDPSA-N 2 1 244.382 2.268 20 0 BEADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246134112 987488275 /nfs/dbraw/zinc/48/82/75/987488275.db2.gz PGEVKRQMVPDVIV-SMDDNHRTSA-N 2 1 248.345 2.098 20 0 BEADMP CCCCC[C@H](CC)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246133004 987489855 /nfs/dbraw/zinc/48/98/55/987489855.db2.gz HJRPPYGSWWLJNJ-AVGNSLFASA-N 2 1 210.365 2.297 20 0 BEADMP CC(C)C1CCC([NH2+][C@]23C[C@H]2C[NH2+]C3)CC1 ZINC001246137495 987491978 /nfs/dbraw/zinc/49/19/78/987491978.db2.gz YYDMPMMGYICRSH-YIOUJQMASA-N 2 1 222.376 2.153 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]CCCc2cccs2)C[NH2+]1 ZINC001246169901 987532475 /nfs/dbraw/zinc/53/24/75/987532475.db2.gz OOMBTJBENRLUJG-RYUDHWBXSA-N 2 1 238.400 2.411 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(F)CCC[NH2+]C2)C[C@@H]1C ZINC001246183771 987554527 /nfs/dbraw/zinc/55/45/27/987554527.db2.gz SZLUUBCSUMOATO-ZOBORPQBSA-N 2 1 242.382 2.492 20 0 BEADMP CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)C1 ZINC001246181658 987555443 /nfs/dbraw/zinc/55/54/43/987555443.db2.gz WUXLKDWZZARFLX-JHJVBQTASA-N 2 1 210.365 2.297 20 0 BEADMP Fc1cccc2c1C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)CC2 ZINC001246185535 987560506 /nfs/dbraw/zinc/56/05/06/987560506.db2.gz BPISGQYTNTVSEW-QWHCGFSZSA-N 2 1 248.345 2.025 20 0 BEADMP Cc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC001246187174 987565840 /nfs/dbraw/zinc/56/58/40/987565840.db2.gz MEMGUUPONTXHIY-DZGCQCFKSA-N 2 1 232.371 2.268 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH2+][C@@]2(C)CCC[NH2+]C2)C1 ZINC001246187012 987567266 /nfs/dbraw/zinc/56/72/66/987567266.db2.gz FJCIGMSXLIXTRN-UPJWGTAASA-N 2 1 210.365 2.297 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]C2(Cc3ccccc3)CC2)C[NH2+]1 ZINC001246193967 987582897 /nfs/dbraw/zinc/58/28/97/987582897.db2.gz YPCBZWHMIVZHTG-ZFWWWQNUSA-N 2 1 244.382 2.492 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c(F)c1 ZINC001246229573 987625209 /nfs/dbraw/zinc/62/52/09/987625209.db2.gz DJRYTQIPPNGYOA-YPMHNXCESA-N 2 1 236.334 2.364 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)nc1 ZINC001246231155 987630233 /nfs/dbraw/zinc/63/02/33/987630233.db2.gz SFJGISPAJUXDHX-AGIUHOORSA-N 2 1 233.359 2.181 20 0 BEADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccn1 ZINC001246241619 987641714 /nfs/dbraw/zinc/64/17/14/987641714.db2.gz XNXBAYSPHKHIGR-PIGZVRMJSA-N 2 1 245.370 2.405 20 0 BEADMP CC(C)[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccccn1 ZINC001246241332 987642622 /nfs/dbraw/zinc/64/26/22/987642622.db2.gz ZKRDBERZAZHEOS-CQSZACIVSA-N 2 1 233.359 2.120 20 0 BEADMP CCC[NH2+]CC[NH2+][C@@H]1CCc2c(C)cccc2C1 ZINC001246273337 987666041 /nfs/dbraw/zinc/66/60/41/987666041.db2.gz ZEFQSDXGHSSGAP-OAHLLOKOSA-N 2 1 246.398 2.442 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccn2)C2CC2)CC[NH2+]1 ZINC001246276229 987669259 /nfs/dbraw/zinc/66/92/59/987669259.db2.gz BUMODDKSPDTPNI-KYOSRNDESA-N 2 1 245.370 2.263 20 0 BEADMP CC[NH2+]CC[NH2+][C@H]1CCc2ccc(C)cc2C1 ZINC001246275009 987670449 /nfs/dbraw/zinc/67/04/49/987670449.db2.gz OMGIOZQKNASPFG-HNNXBMFYSA-N 2 1 232.371 2.051 20 0 BEADMP CC[C@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)C1 ZINC001246332664 987738184 /nfs/dbraw/zinc/73/81/84/987738184.db2.gz RNZYWZBMPAJHOP-XQHKEYJVSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC001246332649 987739752 /nfs/dbraw/zinc/73/97/52/987739752.db2.gz QVUWSIHYHLYEBM-XQHKEYJVSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C)C[NH2+]1 ZINC001246332405 987739966 /nfs/dbraw/zinc/73/99/66/987739966.db2.gz KZVKDWZGOLKRRQ-UMSGYPCISA-N 2 1 210.365 2.295 20 0 BEADMP C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246333652 987741926 /nfs/dbraw/zinc/74/19/26/987741926.db2.gz KZVKDWZGOLKRRQ-MROQNXINSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@@H](Cc1cccc(O)c1)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246352494 987760463 /nfs/dbraw/zinc/76/04/63/987760463.db2.gz PBHPQRYOXWBFBX-MBNYWOFBSA-N 2 1 248.370 2.053 20 0 BEADMP C[C@@H](Cc1cccc(O)c1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246352494 987760472 /nfs/dbraw/zinc/76/04/72/987760472.db2.gz PBHPQRYOXWBFBX-MBNYWOFBSA-N 2 1 248.370 2.053 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CC2Cc3ccccc3C2)C[NH2+]1 ZINC001246375753 987774427 /nfs/dbraw/zinc/77/44/27/987774427.db2.gz KNQJXEZLICRUOB-MLGOLLRUSA-N 2 1 244.382 2.132 20 0 BEADMP Cc1cccc(C(C)(C)C[NH2+][C@H]2CCC[NH2+]C2)n1 ZINC001246394417 987785322 /nfs/dbraw/zinc/78/53/22/987785322.db2.gz ZSJINXJIRPELLR-ZDUSSCGKSA-N 2 1 247.386 2.009 20 0 BEADMP CC1(C)CC[C@@H](C[NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001246438618 987799529 /nfs/dbraw/zinc/79/95/29/987799529.db2.gz YNKDONLSBGSFCG-NEPJUHHUSA-N 2 1 210.365 2.154 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]C(C)(C)Cc2cccnc2)C[NH2+]1 ZINC001246445254 987804028 /nfs/dbraw/zinc/80/40/28/987804028.db2.gz DXEWYSNSROJZJW-GXTWGEPZSA-N 2 1 247.386 2.133 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC001117319498 987822811 /nfs/dbraw/zinc/82/28/11/987822811.db2.gz VECJSHPOWILMQL-YUELXQCFSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCc3ccccc32)C[NH2+]1 ZINC001246466104 987825971 /nfs/dbraw/zinc/82/59/71/987825971.db2.gz LZXXLNQTLBCUIG-YUELXQCFSA-N 2 1 244.382 2.447 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3O)CC[NH2+]1 ZINC001246504034 987855668 /nfs/dbraw/zinc/85/56/68/987855668.db2.gz OXXGPWATHUPPSI-JTNHKYCSSA-N 2 1 246.354 2.110 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]3C[C@H]32)CC(C)(C)C1 ZINC001246504053 987856524 /nfs/dbraw/zinc/85/65/24/987856524.db2.gz PGIJUDWCWMQPTF-RKQHYHRCSA-N 2 1 236.403 2.399 20 0 BEADMP CC[C@H](C)OCC[C@@H](C)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246526266 987877530 /nfs/dbraw/zinc/87/75/30/987877530.db2.gz ADDBXTDCFWNIJW-AGIUHOORSA-N 2 1 228.380 2.003 20 0 BEADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246526266 987877533 /nfs/dbraw/zinc/87/75/33/987877533.db2.gz ADDBXTDCFWNIJW-AGIUHOORSA-N 2 1 228.380 2.003 20 0 BEADMP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001117743572 987885830 /nfs/dbraw/zinc/88/58/30/987885830.db2.gz IPCYXEWIBQDCJM-MROQNXINSA-N 2 1 242.432 2.200 20 0 BEADMP CC[C@H](Cc1ccccc1)[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246531760 987888780 /nfs/dbraw/zinc/88/87/80/987888780.db2.gz FJCLRNLHSGVECJ-HUUCEWRRSA-N 2 1 244.382 2.431 20 0 BEADMP CC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246531760 987888782 /nfs/dbraw/zinc/88/87/82/987888782.db2.gz FJCLRNLHSGVECJ-HUUCEWRRSA-N 2 1 244.382 2.431 20 0 BEADMP CCCCCC[C@@H](C)[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC001246536660 987894716 /nfs/dbraw/zinc/89/47/16/987894716.db2.gz VULAOWJBJXVVDT-ZIAGYGMSSA-N 2 1 242.407 2.395 20 0 BEADMP CC[C@@H](C)OCC[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246538453 987898267 /nfs/dbraw/zinc/89/82/67/987898267.db2.gz CCUVMRDCXGJJMG-IGQOVBAYSA-N 2 1 242.407 2.107 20 0 BEADMP CC[C@H](C)OCC[C@@H](C)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246546412 987924598 /nfs/dbraw/zinc/92/45/98/987924598.db2.gz MVOGMSJDLZNJJX-CRWXNKLISA-N 2 1 242.407 2.392 20 0 BEADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246546412 987924607 /nfs/dbraw/zinc/92/46/07/987924607.db2.gz MVOGMSJDLZNJJX-CRWXNKLISA-N 2 1 242.407 2.392 20 0 BEADMP C[C@H]1c2ccccc2CC[N@H+]1C1CC[NH2+]CC1 ZINC001246547770 987930524 /nfs/dbraw/zinc/93/05/24/987930524.db2.gz NPZLGYJUTKSJAF-LBPRGKRZSA-N 2 1 230.355 2.358 20 0 BEADMP CCC(CC)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246549380 987936026 /nfs/dbraw/zinc/93/60/26/987936026.db2.gz MFFFJNKNWGKWEY-GFCCVEGCSA-N 2 1 216.344 2.328 20 0 BEADMP C[C@@H](CC(F)(F)F)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246548208 987938121 /nfs/dbraw/zinc/93/81/21/987938121.db2.gz SUJLEHKQVXJYME-IUCAKERBSA-N 2 1 224.270 2.141 20 0 BEADMP C[C@H](Cc1ccco1)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246547899 987940399 /nfs/dbraw/zinc/94/03/99/987940399.db2.gz CZWUYTFNVDVXFN-TZMCWYRMSA-N 2 1 236.359 2.414 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001246549959 987947481 /nfs/dbraw/zinc/94/74/81/987947481.db2.gz LAQBWAJWQVJKGT-SYQHCUMBSA-N 2 1 236.403 2.352 20 0 BEADMP Cc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001246552768 987950455 /nfs/dbraw/zinc/95/04/55/987950455.db2.gz ZJJQELZAKPFYGM-UMVBOHGHSA-N 2 1 232.371 2.348 20 0 BEADMP Cc1ccc(C[C@@H](C)[N@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001246552768 987950463 /nfs/dbraw/zinc/95/04/63/987950463.db2.gz ZJJQELZAKPFYGM-UMVBOHGHSA-N 2 1 232.371 2.348 20 0 BEADMP CCSC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246555737 987964511 /nfs/dbraw/zinc/96/45/11/987964511.db2.gz GAKMJGFCRLIZSJ-RWMBFGLXSA-N 2 1 244.448 2.435 20 0 BEADMP CCSC[C@@H](C)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246556423 987966689 /nfs/dbraw/zinc/96/66/89/987966689.db2.gz ZRJCJXVVEBJJOO-VXGBXAGGSA-N 2 1 230.421 2.331 20 0 BEADMP CSCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246555390 987968043 /nfs/dbraw/zinc/96/80/43/987968043.db2.gz DVSIYTSHRDEUAG-FRRDWIJNSA-N 2 1 244.448 2.435 20 0 BEADMP Cc1cc(N[C@@H]2CCCC[C@H]2[NH+](C)C)nc(C)[nH+]1 ZINC001321708405 987972673 /nfs/dbraw/zinc/97/26/73/987972673.db2.gz SVYSYVUUBFUPFR-CHWSQXEVSA-N 2 1 248.374 2.378 20 0 BEADMP CCSC[C@@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246557293 987973628 /nfs/dbraw/zinc/97/36/28/987973628.db2.gz KKUIOOFCGJDLNN-NEPJUHHUSA-N 2 1 248.411 2.281 20 0 BEADMP CCOCC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246557353 987977549 /nfs/dbraw/zinc/97/75/49/987977549.db2.gz KQYSUULNKBPTPX-RDBSUJKOSA-N 2 1 242.407 2.108 20 0 BEADMP C[C@@H]1CC[N@H+](C2CCCC2)CC[C@H]1C[NH3+] ZINC001246558591 987978410 /nfs/dbraw/zinc/97/84/10/987978410.db2.gz MQPYQKBLGQPPRI-NEPJUHHUSA-N 2 1 210.365 2.236 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001118019116 987985842 /nfs/dbraw/zinc/98/58/42/987985842.db2.gz NSQJKOPJRWRGCU-HNNXBMFYSA-N 2 1 232.371 2.248 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCC(F)(F)[C@@H](C)C2)CC[NH2+]1 ZINC001246562936 988008913 /nfs/dbraw/zinc/00/89/13/988008913.db2.gz IKNHWNOWWILWQV-AXFHLTTASA-N 2 1 232.318 2.104 20 0 BEADMP F[C@@H]1CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246568999 988036301 /nfs/dbraw/zinc/03/63/01/988036301.db2.gz ULALOPODSKWINL-FKJOKYEKSA-N 2 1 226.339 2.093 20 0 BEADMP [NH3+][C@H]1CC[N@@H+](C2CCC3(CC3)CC2)CC[C@H]1F ZINC001246568608 988037501 /nfs/dbraw/zinc/03/75/01/988037501.db2.gz ANBLHAHKRISXII-OLZOCXBDSA-N 2 1 240.366 2.470 20 0 BEADMP [NH3+][C@H]1CC[N@H+](C2CCC3(CC3)CC2)CC[C@H]1F ZINC001246568608 988037515 /nfs/dbraw/zinc/03/75/15/988037515.db2.gz ANBLHAHKRISXII-OLZOCXBDSA-N 2 1 240.366 2.470 20 0 BEADMP CSC(C)(C)C[C@@H](C)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246569030 988042010 /nfs/dbraw/zinc/04/20/10/988042010.db2.gz UQJRYHFFWGSONC-GMTAPVOTSA-N 2 1 230.421 2.186 20 0 BEADMP CCOCC[C@H](C)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246571265 988061043 /nfs/dbraw/zinc/06/10/43/988061043.db2.gz AREYRNVZLFEHKS-UONOGXRCSA-N 2 1 242.407 2.252 20 0 BEADMP C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@@](F)(C[NH3+])C2)C1 ZINC001246572730 988064034 /nfs/dbraw/zinc/06/40/34/988064034.db2.gz BAIOFEQMWCIJHW-JHJVBQTASA-N 2 1 228.355 2.328 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@](F)(C[NH3+])C2)C1 ZINC001246572730 988064051 /nfs/dbraw/zinc/06/40/51/988064051.db2.gz BAIOFEQMWCIJHW-JHJVBQTASA-N 2 1 228.355 2.328 20 0 BEADMP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2CCCSC2)CC1 ZINC001246579961 988096926 /nfs/dbraw/zinc/09/69/26/988096926.db2.gz VOUGVAJGNLRLPA-STQMWFEESA-N 2 1 242.432 2.333 20 0 BEADMP C[C@]1(C[NH3+])CCC[N@H+](C2CCCC2)CC1 ZINC001246581075 988111094 /nfs/dbraw/zinc/11/10/94/988111094.db2.gz XOLCNYMXUPWAMY-ZDUSSCGKSA-N 2 1 210.365 2.380 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@](C)(C[NH3+])C2)CCO1 ZINC001246585589 988131144 /nfs/dbraw/zinc/13/11/44/988131144.db2.gz PIEDEAYFKWHYIY-RDBSUJKOSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@H](CC1CC1)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246584478 988136712 /nfs/dbraw/zinc/13/67/12/988136712.db2.gz WZDFAWCKJRJDJS-YPMHNXCESA-N 2 1 228.355 2.328 20 0 BEADMP C[C@H](CC1CC1)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246584478 988136722 /nfs/dbraw/zinc/13/67/22/988136722.db2.gz WZDFAWCKJRJDJS-YPMHNXCESA-N 2 1 228.355 2.328 20 0 BEADMP C[NH2+]CC1C[NH+]([C@H](C)Cc2ccc(C)cc2)C1 ZINC001246590907 988163685 /nfs/dbraw/zinc/16/36/85/988163685.db2.gz AWNMEISWVCHKNR-CYBMUJFWSA-N 2 1 232.371 2.077 20 0 BEADMP C[C@@H](Cc1ccccn1)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246592529 988179804 /nfs/dbraw/zinc/17/98/04/988179804.db2.gz KBGCQTOZJRHHAP-KBPBESRZSA-N 2 1 247.386 2.073 20 0 BEADMP CCOCC[C@@H](C)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246613408 988241288 /nfs/dbraw/zinc/24/12/88/988241288.db2.gz ZDXWKRBGOBWYOT-ZIAGYGMSSA-N 2 1 240.391 2.020 20 0 BEADMP CCCC[C@@H](CCC)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246611217 988242809 /nfs/dbraw/zinc/24/28/09/988242809.db2.gz BBHMJIZRQRQFRL-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@H](CC1CC1)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246613397 988243654 /nfs/dbraw/zinc/24/36/54/988243654.db2.gz YWYDPKQYAJYZID-OCCSQVGLSA-N 2 1 222.376 2.393 20 0 BEADMP CCOCC[C@H](C)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246613405 988243838 /nfs/dbraw/zinc/24/38/38/988243838.db2.gz ZDXWKRBGOBWYOT-KBPBESRZSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@H]1CCC[C@@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246629656 988302744 /nfs/dbraw/zinc/30/27/44/988302744.db2.gz FQPZPGIEUVFHPP-QNWHQSFQSA-N 2 1 208.349 2.001 20 0 BEADMP CC[C@H](CC(C)C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246631782 988313092 /nfs/dbraw/zinc/31/30/92/988313092.db2.gz SIOPDWHSQXIUHE-KGLIPLIRSA-N 2 1 224.392 2.497 20 0 BEADMP CCCCC[C@@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246635543 988333024 /nfs/dbraw/zinc/33/30/24/988333024.db2.gz SOXZOOXOMPSSCJ-FRRDWIJNSA-N 2 1 210.365 2.391 20 0 BEADMP CCCCC[C@@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246635543 988333005 /nfs/dbraw/zinc/33/30/05/988333005.db2.gz SOXZOOXOMPSSCJ-FRRDWIJNSA-N 2 1 210.365 2.391 20 0 BEADMP CC1(C)CC[C@@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246638516 988340465 /nfs/dbraw/zinc/34/04/65/988340465.db2.gz LXMAQSREJVZZSX-IJLUTSLNSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CC(F)C3)CC2)CC[NH2+]1 ZINC001246640658 988344009 /nfs/dbraw/zinc/34/40/09/988344009.db2.gz AYQHKPIDDVKHNM-YPMHNXCESA-N 2 1 240.366 2.341 20 0 BEADMP Cc1ccc(CC[C@@H](C)[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001246642600 988346444 /nfs/dbraw/zinc/34/64/44/988346444.db2.gz CLLGPCTZLTZTSU-KBMXLJTQSA-N 2 1 244.382 2.349 20 0 BEADMP Cc1ccc(CC[C@@H](C)[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001246642600 988346461 /nfs/dbraw/zinc/34/64/61/988346461.db2.gz CLLGPCTZLTZTSU-KBMXLJTQSA-N 2 1 244.382 2.349 20 0 BEADMP Cc1ccc(C[C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001246644323 988355069 /nfs/dbraw/zinc/35/50/69/988355069.db2.gz FUXOOKDZXSKJKF-CWRNSKLLSA-N 2 1 244.382 2.220 20 0 BEADMP Cc1ccc(C[C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001246644323 988355077 /nfs/dbraw/zinc/35/50/77/988355077.db2.gz FUXOOKDZXSKJKF-CWRNSKLLSA-N 2 1 244.382 2.220 20 0 BEADMP CC(C)C1CCC([N@@H+]2CC[C@H]3C[NH2+][C@H]3C2)CC1 ZINC001246646660 988362550 /nfs/dbraw/zinc/36/25/50/988362550.db2.gz GPLOYELENMBCJZ-SHWKFHJASA-N 2 1 236.403 2.495 20 0 BEADMP CC(C)C1CCC([N@H+]2CC[C@H]3C[NH2+][C@H]3C2)CC1 ZINC001246646660 988362558 /nfs/dbraw/zinc/36/25/58/988362558.db2.gz GPLOYELENMBCJZ-SHWKFHJASA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C[C@@H]1C ZINC001246647146 988366036 /nfs/dbraw/zinc/36/60/36/988366036.db2.gz ZEYVORMFGNMNBC-XHJNMGKDSA-N 2 1 222.376 2.247 20 0 BEADMP CC[C@H](Cc1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246648237 988370176 /nfs/dbraw/zinc/37/01/76/988370176.db2.gz WYBDURUCRDZFNS-ARFHVFGLSA-N 2 1 244.382 2.301 20 0 BEADMP CC[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246648237 988370185 /nfs/dbraw/zinc/37/01/85/988370185.db2.gz WYBDURUCRDZFNS-ARFHVFGLSA-N 2 1 244.382 2.301 20 0 BEADMP CCCC[C@H](CC)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246654928 988375646 /nfs/dbraw/zinc/37/56/46/988375646.db2.gz XRPPFQXSFHRTQZ-RWMBFGLXSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3CCC[C@@H]3C2)CC[NH2+]1 ZINC001246653410 988380898 /nfs/dbraw/zinc/38/08/98/988380898.db2.gz DMLRGTQBXRZTRB-AAVRWANBSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3CCC[C@@H]3C2)CC[NH2+]1 ZINC001246653410 988380903 /nfs/dbraw/zinc/38/09/03/988380903.db2.gz DMLRGTQBXRZTRB-AAVRWANBSA-N 2 1 222.376 2.249 20 0 BEADMP CC1(C)[C@@H]2C[C@H]([N@H+]3C[C@H]4CCC[NH2+][C@H]4C3)C[C@@H]21 ZINC001246655389 988382009 /nfs/dbraw/zinc/38/20/09/988382009.db2.gz HPOUQBDEMLCUHL-RGDJUOJXSA-N 2 1 234.387 2.105 20 0 BEADMP CCCC[C@H](CC(C)C)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246657456 988387366 /nfs/dbraw/zinc/38/73/66/988387366.db2.gz MHCHQAMZUXPSLY-MQYQWHSLSA-N 2 1 224.392 2.480 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)C[C@H]1C ZINC001246661420 988397987 /nfs/dbraw/zinc/39/79/87/988397987.db2.gz XDSBXHAHRYUXKM-ZSAUSMIDSA-N 2 1 236.403 2.495 20 0 BEADMP CC[C@H]1CC[C@@H]([N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)C1 ZINC001246662295 988401007 /nfs/dbraw/zinc/40/10/07/988401007.db2.gz ZJCUOSUOCJVSCZ-DGAVXFQQSA-N 2 1 222.376 2.249 20 0 BEADMP CC[C@H]1CC[C@@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC001246666799 988410111 /nfs/dbraw/zinc/41/01/11/988410111.db2.gz RTBDHAAIRCJBPT-REWJHTLYSA-N 2 1 222.376 2.378 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001118547230 988426490 /nfs/dbraw/zinc/42/64/90/988426490.db2.gz WOSAILLHEVXFBD-JCIQBVFBSA-N 2 1 244.329 2.008 20 0 BEADMP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001246678695 988427183 /nfs/dbraw/zinc/42/71/83/988427183.db2.gz YHNIMPGABQSGSR-CRWXNKLISA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](c3ccncc3)C2)CC[NH2+]1 ZINC001246774105 988453784 /nfs/dbraw/zinc/45/37/84/988453784.db2.gz COTYVIFTYIEHGP-YUELXQCFSA-N 2 1 245.370 2.011 20 0 BEADMP C[C@H]1C[C@H]([N@@H+](C)CCOc2ccccc2)CC[NH2+]1 ZINC001246782722 988461796 /nfs/dbraw/zinc/46/17/96/988461796.db2.gz ULLLNXWVVYVOSL-UONOGXRCSA-N 2 1 248.370 2.138 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](c3cccnc3)C2)CC[NH2+]1 ZINC001246790774 988466825 /nfs/dbraw/zinc/46/68/25/988466825.db2.gz HMDUONJATYGBMD-YUELXQCFSA-N 2 1 245.370 2.011 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](c3cccnc3)C2)CC[NH2+]1 ZINC001246790549 988468443 /nfs/dbraw/zinc/46/84/43/988468443.db2.gz HMDUONJATYGBMD-BPLDGKMQSA-N 2 1 245.370 2.011 20 0 BEADMP CC(C)CC[C@@H](C)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246792890 988469904 /nfs/dbraw/zinc/46/99/04/988469904.db2.gz RXNBDZDMGAVEAG-CYBMUJFWSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H](c3ccccn3)C2)CC[NH2+]1 ZINC001246791639 988470172 /nfs/dbraw/zinc/47/01/72/988470172.db2.gz HPVMTQRQRWKPPA-HZSPNIEDSA-N 2 1 245.370 2.011 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C(F)F)C2)CC[NH2+]1 ZINC001246810672 988489111 /nfs/dbraw/zinc/48/91/11/988489111.db2.gz YOMQIUPEFALBEJ-VWYCJHECSA-N 2 1 232.318 2.104 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](C(F)F)C2)CC[NH2+]1 ZINC001246810671 988490641 /nfs/dbraw/zinc/49/06/41/988490641.db2.gz YOMQIUPEFALBEJ-OUAUKWLOSA-N 2 1 232.318 2.104 20 0 BEADMP Fc1cccc([C@@H]2CC[N@H+](C3CC[NH2+]CC3)C2)c1 ZINC001246832788 988528273 /nfs/dbraw/zinc/52/82/73/988528273.db2.gz IURXZCAWELLNCH-CYBMUJFWSA-N 2 1 248.345 2.367 20 0 BEADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2cccnc2)CC[NH2+]1 ZINC001246834768 988535498 /nfs/dbraw/zinc/53/54/98/988535498.db2.gz GRIWUJRGCQAVSH-AEGPPILISA-N 2 1 245.370 2.359 20 0 BEADMP CCCC[C@H](CC)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001246842541 988545374 /nfs/dbraw/zinc/54/53/74/988545374.db2.gz CIJQFELMXXOATR-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1C[C@H]([N@@H+]2CCCCC23CC3)CC[NH2+]1 ZINC001246845110 988555039 /nfs/dbraw/zinc/55/50/39/988555039.db2.gz KSDVLFYGGKZTOB-NWDGAFQWSA-N 2 1 208.349 2.145 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2CCCCC23CC3)CC[NH2+]1 ZINC001246845110 988555052 /nfs/dbraw/zinc/55/50/52/988555052.db2.gz KSDVLFYGGKZTOB-NWDGAFQWSA-N 2 1 208.349 2.145 20 0 BEADMP FC1CC2(C1)CCC[N@@H+]([C@H]1CCC[NH2+]C1)CC2 ZINC001246852349 988571336 /nfs/dbraw/zinc/57/13/36/988571336.db2.gz IONLBZQFTWVZRJ-MOKVOYLWSA-N 2 1 240.366 2.343 20 0 BEADMP FC1CC2(C1)CCC[N@H+]([C@H]1CCC[NH2+]C1)CC2 ZINC001246852349 988571343 /nfs/dbraw/zinc/57/13/43/988571343.db2.gz IONLBZQFTWVZRJ-MOKVOYLWSA-N 2 1 240.366 2.343 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)C[C@@H](C)C1 ZINC001246852233 988571360 /nfs/dbraw/zinc/57/13/60/988571360.db2.gz ICDFBZXQVJUZAV-XHJNMGKDSA-N 2 1 222.376 2.234 20 0 BEADMP C[C@H](Cc1ccc(F)cc1)[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246857598 988585403 /nfs/dbraw/zinc/58/54/03/988585403.db2.gz BAIXJBDZWBMPOP-OSAQELSMSA-N 2 1 248.345 2.180 20 0 BEADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246857598 988585414 /nfs/dbraw/zinc/58/54/14/988585414.db2.gz BAIXJBDZWBMPOP-OSAQELSMSA-N 2 1 248.345 2.180 20 0 BEADMP Cc1ccc([C@H]2CCC[N@H+]2C2CC[NH2+]CC2)cn1 ZINC001246862667 988599859 /nfs/dbraw/zinc/59/98/59/988599859.db2.gz MLEPOGRKNVRYDT-OAHLLOKOSA-N 2 1 245.370 2.279 20 0 BEADMP [NH3+][C@]12CC[C@H]1C[N@H+](C1CCCCCC1)C2 ZINC001246862765 988601941 /nfs/dbraw/zinc/60/19/41/988601941.db2.gz RHYPIDMGCSDFNF-AAEUAGOBSA-N 2 1 208.349 2.132 20 0 BEADMP CCC[C@H](CC)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246862805 988612876 /nfs/dbraw/zinc/61/28/76/988612876.db2.gz DRGCVQCDCYOLRA-AVGNSLFASA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)C[C@@H](C)C1 ZINC001246867366 988618772 /nfs/dbraw/zinc/61/87/72/988618772.db2.gz OEVQJGQZKMAOAK-AIEDFZFUSA-N 2 1 236.403 2.495 20 0 BEADMP CC1(C)CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)C1 ZINC001246869139 988627231 /nfs/dbraw/zinc/62/72/31/988627231.db2.gz UDPABTPUZJSKJE-RWMBFGLXSA-N 2 1 222.376 2.249 20 0 BEADMP CC[C@@H]1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)C1 ZINC001246869914 988627625 /nfs/dbraw/zinc/62/76/25/988627625.db2.gz XKPSIEJAOZTTIT-RFGFWPKPSA-N 2 1 222.376 2.249 20 0 BEADMP CCC[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246868759 988627876 /nfs/dbraw/zinc/62/78/76/988627876.db2.gz LLHNZUKWKHFYFT-BZUAXINKSA-N 2 1 244.382 2.431 20 0 BEADMP CCC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246868759 988627896 /nfs/dbraw/zinc/62/78/96/988627896.db2.gz LLHNZUKWKHFYFT-BZUAXINKSA-N 2 1 244.382 2.431 20 0 BEADMP C[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C)[NH2+]C2)C2(CC2)C1 ZINC001246893434 988656957 /nfs/dbraw/zinc/65/69/57/988656957.db2.gz KUHBMHPBTLFWDA-TUAOUCFPSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@H]1C[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)C2(CC2)C1 ZINC001246895961 988671471 /nfs/dbraw/zinc/67/14/71/988671471.db2.gz RKWFQJWLQWPNCK-UTUOFQBUSA-N 2 1 208.349 2.001 20 0 BEADMP COc1cccc(C[C@@H](C)[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC001246916708 988721047 /nfs/dbraw/zinc/72/10/47/988721047.db2.gz OXXCMJUCQIUHJM-TZMCWYRMSA-N 2 1 248.370 2.049 20 0 BEADMP COc1cccc(C[C@@H](C)[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC001246916708 988721069 /nfs/dbraw/zinc/72/10/69/988721069.db2.gz OXXCMJUCQIUHJM-TZMCWYRMSA-N 2 1 248.370 2.049 20 0 BEADMP CC1(C)CC[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246931932 988761676 /nfs/dbraw/zinc/76/16/76/988761676.db2.gz NYPDDDOTYZQJDM-HZSPNIEDSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246941954 988773018 /nfs/dbraw/zinc/77/30/18/988773018.db2.gz MVMVGWALVRBVLB-APIJFGDWSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)C1CCC([N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246950372 988784913 /nfs/dbraw/zinc/78/49/13/988784913.db2.gz WZLOFXMWJMVQMX-QSCRHYGLSA-N 2 1 236.403 2.351 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC(C)(C)C1 ZINC001246951118 988785270 /nfs/dbraw/zinc/78/52/70/988785270.db2.gz ZPUXOAYWKXMCEZ-POQQGIQPSA-N 2 1 236.403 2.351 20 0 BEADMP CC(C)CCC[C@@H](C)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246947499 988786456 /nfs/dbraw/zinc/78/64/56/988786456.db2.gz LETQSPRTROQNEE-MQYQWHSLSA-N 2 1 224.392 2.351 20 0 BEADMP C[C@H]1CC[C@H]([N@@H+](C)C2CC[NH2+]CC2)CC1 ZINC001246994796 988828000 /nfs/dbraw/zinc/82/80/00/988828000.db2.gz CTWAHFAJADYRJB-HAQNSBGRSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H](Cc1ccco1)[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247015647 988841124 /nfs/dbraw/zinc/84/11/24/988841124.db2.gz PHKFDDPLWJJLBK-VNHYZAJKSA-N 2 1 248.370 2.285 20 0 BEADMP C[C@H](Cc1ccco1)[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247015647 988841125 /nfs/dbraw/zinc/84/11/25/988841125.db2.gz PHKFDDPLWJJLBK-VNHYZAJKSA-N 2 1 248.370 2.285 20 0 BEADMP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)C[C@@H]21 ZINC001247016732 988843696 /nfs/dbraw/zinc/84/36/96/988843696.db2.gz XNSNGCQBUWHFIX-LXFSFDBISA-N 2 1 248.414 2.495 20 0 BEADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)C[C@@H]21 ZINC001247016732 988843700 /nfs/dbraw/zinc/84/37/00/988843700.db2.gz XNSNGCQBUWHFIX-LXFSFDBISA-N 2 1 248.414 2.495 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccn2C2CC2)C1 ZINC001325110420 989089732 /nfs/dbraw/zinc/08/97/32/989089732.db2.gz ACXYGNBHWUYSCE-CYBMUJFWSA-N 2 1 247.386 2.207 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccn2C2CC2)C1 ZINC001325110420 989089745 /nfs/dbraw/zinc/08/97/45/989089745.db2.gz ACXYGNBHWUYSCE-CYBMUJFWSA-N 2 1 247.386 2.207 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(Cl)s1 ZINC001325626365 989219641 /nfs/dbraw/zinc/21/96/41/989219641.db2.gz OVKLGMZABRZOAH-MRVPVSSYSA-N 2 1 232.780 2.489 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C2(Cl)CC2)C1 ZINC001119623187 989253786 /nfs/dbraw/zinc/25/37/86/989253786.db2.gz FWZKVHVFIQLMFM-NWDGAFQWSA-N 2 1 244.810 2.468 20 0 BEADMP CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001326194983 989413346 /nfs/dbraw/zinc/41/33/46/989413346.db2.gz RESQDTMUKBUGGD-ZDEQEGDKSA-N 2 1 242.432 2.343 20 0 BEADMP C[C@H](Cc1ccco1)[N@@H+](C)CCC[NH+](C)C ZINC001258184534 991089130 /nfs/dbraw/zinc/08/91/30/991089130.db2.gz DTEUEHRMLVARGH-GFCCVEGCSA-N 2 1 224.348 2.094 20 0 BEADMP C[C@H](Cc1ccco1)[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001258199508 991114429 /nfs/dbraw/zinc/11/44/29/991114429.db2.gz ONIUNCYUYAYNBR-UMVBOHGHSA-N 2 1 248.370 2.094 20 0 BEADMP C[C@H](Cc1ccco1)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001258199508 991114434 /nfs/dbraw/zinc/11/44/34/991114434.db2.gz ONIUNCYUYAYNBR-UMVBOHGHSA-N 2 1 248.370 2.094 20 0 BEADMP CSCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001258202721 991119978 /nfs/dbraw/zinc/11/99/78/991119978.db2.gz SLYIQRRSMKKALE-RVMXOQNASA-N 2 1 242.432 2.343 20 0 BEADMP CSC(C)(C)C[C@H](C)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC001258321846 991246668 /nfs/dbraw/zinc/24/66/68/991246668.db2.gz RYQNWXGVYYURQU-WDEREUQCSA-N 2 1 230.421 2.330 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CC4(CCC4)C3)[C@H]2C1 ZINC001308983730 991252655 /nfs/dbraw/zinc/25/26/55/991252655.db2.gz AVYILQVSOFLQMX-UBHSHLNASA-N 2 1 234.387 2.249 20 0 BEADMP C[C@H](CC1CC1)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001258474602 991445528 /nfs/dbraw/zinc/44/55/28/991445528.db2.gz VBRJFJTZLWGLMH-MRVWCRGKSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@H](CC1CC1)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001258473911 991447587 /nfs/dbraw/zinc/44/75/87/991447587.db2.gz YXYZANYMIHTELG-GFCCVEGCSA-N 2 1 222.376 2.345 20 0 BEADMP C1[C@H]2CCC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)[C@@H]12 ZINC001560500813 991488333 /nfs/dbraw/zinc/48/83/33/991488333.db2.gz DNFJOCUWIWKGKC-QTVXIADOSA-N 2 1 234.387 2.391 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001258601152 991508806 /nfs/dbraw/zinc/50/88/06/991508806.db2.gz QHHIWLOWSILSNZ-HZSPNIEDSA-N 2 1 236.403 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001258601152 991508818 /nfs/dbraw/zinc/50/88/18/991508818.db2.gz QHHIWLOWSILSNZ-HZSPNIEDSA-N 2 1 236.403 2.449 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(F)cc3)[C@@H]2C1 ZINC001560623368 991523679 /nfs/dbraw/zinc/52/36/79/991523679.db2.gz VGELHERJRJSIJZ-NWANDNLSSA-N 2 1 248.345 2.256 20 0 BEADMP CC1(C)CC[C@H]([N@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001258608165 991529143 /nfs/dbraw/zinc/52/91/43/991529143.db2.gz ZMEYWGVAMMVAAQ-LBPRGKRZSA-N 2 1 233.359 2.320 20 0 BEADMP CC1(C)CC[C@H]([N@@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001258608165 991529160 /nfs/dbraw/zinc/52/91/60/991529160.db2.gz ZMEYWGVAMMVAAQ-LBPRGKRZSA-N 2 1 233.359 2.320 20 0 BEADMP C[C@H](Cc1cccnc1)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001258612447 991534901 /nfs/dbraw/zinc/53/49/01/991534901.db2.gz WYOZJSHDQZBAIX-LRVUVFPRSA-N 2 1 247.386 2.214 20 0 BEADMP C[C@@H](Cc1cccnc1)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001258613200 991536436 /nfs/dbraw/zinc/53/64/36/991536436.db2.gz LFBKMGKZFBDRFR-ZFWWWQNUSA-N 2 1 247.386 2.087 20 0 BEADMP CCC[NH+]1CCC([N@@H+]2CC[C@@H](C)C2)CC1 ZINC001258771919 991736448 /nfs/dbraw/zinc/73/64/48/991736448.db2.gz BMFUCWHHYUIQBK-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP CCC[NH+]1CCC([N@H+]2CC[C@@H](C)C2)CC1 ZINC001258771919 991736457 /nfs/dbraw/zinc/73/64/57/991736457.db2.gz BMFUCWHHYUIQBK-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP CCC[NH+]1CCC([NH+]2CC3CC(C3)C2)CC1 ZINC001258776770 991746359 /nfs/dbraw/zinc/74/63/59/991746359.db2.gz HXMLCOVDRZFZQA-UHFFFAOYSA-N 2 1 222.376 2.203 20 0 BEADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CCC[C@H](C)C1 ZINC001258806682 991808770 /nfs/dbraw/zinc/80/87/70/991808770.db2.gz FHNOMVKHGRSTNQ-CMPLNLGQSA-N 2 1 221.348 2.444 20 0 BEADMP C[C@@H]([NH2+]C/C=C/C1CC1)c1c[nH+]ccc1N ZINC001261423667 992294206 /nfs/dbraw/zinc/29/42/06/992294206.db2.gz BDRQHLIIRFQXBX-VMZHVLLKSA-N 2 1 217.316 2.111 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C/C=C/C2CC2)CC1(C)C ZINC001261789258 992509270 /nfs/dbraw/zinc/50/92/70/992509270.db2.gz XYVJRJNCWOSORV-IHVVCDCBSA-N 2 1 222.376 2.415 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]2C1 ZINC001474757050 992522846 /nfs/dbraw/zinc/52/28/46/992522846.db2.gz OTAHFWVGBKLQIC-XQQFMLRXSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@]1([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC[NH2+]C1 ZINC001573626310 992652756 /nfs/dbraw/zinc/65/27/56/992652756.db2.gz OQWNCBFJBIYVRM-ZNMIVQPWSA-N 2 1 230.355 2.132 20 0 BEADMP COc1cccc(F)c1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC001262482350 992888571 /nfs/dbraw/zinc/88/85/71/992888571.db2.gz AIKDKIIPHVKXAP-NXEZZACHSA-N 2 1 240.322 2.050 20 0 BEADMP COc1cccc(F)c1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC001262482351 992889246 /nfs/dbraw/zinc/88/92/46/992889246.db2.gz AIKDKIIPHVKXAP-UWVGGRQHSA-N 2 1 240.322 2.050 20 0 BEADMP C(C[N@H+]1CC[C@H](C2CCC2)C1)[C@@H]1CC[NH2+]C1 ZINC001574773960 992898524 /nfs/dbraw/zinc/89/85/24/992898524.db2.gz HNPIXMNJYDCNHK-JSGCOSHPSA-N 2 1 222.376 2.108 20 0 BEADMP C1=C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCC[NH2+]C1 ZINC001574774690 992903562 /nfs/dbraw/zinc/90/35/62/992903562.db2.gz PFUYORRKZXLQMX-HZSPNIEDSA-N 2 1 220.360 2.169 20 0 BEADMP CC(C)(C[NH3+])[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC001575318385 993010814 /nfs/dbraw/zinc/01/08/14/993010814.db2.gz SLKLKWUMKXHENU-TZMCWYRMSA-N 2 1 247.386 2.435 20 0 BEADMP CC(C)(C[NH3+])[NH2+]C[C@H]1CCc2ccccc21 ZINC001575317419 993011748 /nfs/dbraw/zinc/01/17/48/993011748.db2.gz AZQYSRNUEZTLKS-GFCCVEGCSA-N 2 1 218.344 2.043 20 0 BEADMP CC(C)(C[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccccc1 ZINC001575334131 993013151 /nfs/dbraw/zinc/01/31/51/993013151.db2.gz DLBKIGVXDFGDPQ-ILXRZTDVSA-N 2 1 244.382 2.447 20 0 BEADMP CC(C)C1CC([NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)C1 ZINC001575499649 993060040 /nfs/dbraw/zinc/06/00/40/993060040.db2.gz VLXYKDYKQXCJJK-XPXVYLNCSA-N 2 1 224.392 2.397 20 0 BEADMP CC(C)[C@H]1CC[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC001575508346 993062919 /nfs/dbraw/zinc/06/29/19/993062919.db2.gz SIFOZKDQKXBLQP-CHWSQXEVSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cccc2c[nH]nc21 ZINC001575544925 993069081 /nfs/dbraw/zinc/06/90/81/993069081.db2.gz KYQLYDAGSBUYAK-CYBMUJFWSA-N 2 1 246.358 2.026 20 0 BEADMP CC(C)C[C@@H](C[NH3+])[NH2+]C[C@@H]1CC=CCC1 ZINC001575543942 993069032 /nfs/dbraw/zinc/06/90/32/993069032.db2.gz DQGPPQGMGXWUGR-OLZOCXBDSA-N 2 1 210.365 2.306 20 0 BEADMP CC(C)[NH2+]CCC[NH2+]Cc1ccc(Cl)nc1 ZINC001575731275 993101968 /nfs/dbraw/zinc/10/19/68/993101968.db2.gz XZFKAZIKWLEMGX-UHFFFAOYSA-N 2 1 241.766 2.213 20 0 BEADMP C[C@@H](C1CC1)[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC001575911883 993124143 /nfs/dbraw/zinc/12/41/43/993124143.db2.gz KYQNNFWPUZEMLD-GMXVVIOVSA-N 2 1 222.376 2.377 20 0 BEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc2c(c1)CCCC2 ZINC001576102170 993180606 /nfs/dbraw/zinc/18/06/06/993180606.db2.gz CBCVUDYRJWBFGG-NEPJUHHUSA-N 2 1 232.371 2.391 20 0 BEADMP COc1ccc(C)cc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC000378788704 993204168 /nfs/dbraw/zinc/20/41/68/993204168.db2.gz MJYKBHDFJMFDSX-AWEZNQCLSA-N 2 1 248.370 2.317 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+](C3CCCCCC3)C[C@@H]2C1 ZINC000585382980 993263711 /nfs/dbraw/zinc/26/37/11/993263711.db2.gz WQSLJTLVSRRWMW-BETUJISGSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](C3CCCCCC3)C[C@@H]2C1 ZINC000585382980 993263719 /nfs/dbraw/zinc/26/37/19/993263719.db2.gz WQSLJTLVSRRWMW-BETUJISGSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1CC([N@H+]2CCCC[C@@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000379928234 993299662 /nfs/dbraw/zinc/29/96/62/993299662.db2.gz TVMHHFDHKHFVSX-UPJWGTAASA-N 2 1 240.391 2.003 20 0 BEADMP C[C@@]1(F)CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001576527915 993333371 /nfs/dbraw/zinc/33/33/71/993333371.db2.gz LNBXJXGNLRNHTN-CYBMUJFWSA-N 2 1 228.355 2.200 20 0 BEADMP CC[C@H]1CC[C@H]([NH2+]CCn2cc[nH+]c2C)C1 ZINC000380814882 993351718 /nfs/dbraw/zinc/35/17/18/993351718.db2.gz KVRKBZARVCBONM-STQMWFEESA-N 2 1 221.348 2.360 20 0 BEADMP C[C@H]1CC(C)(C)C[N@H+]1CCC[NH2+]C1CC1 ZINC001576590141 993354584 /nfs/dbraw/zinc/35/45/84/993354584.db2.gz ZDJIAUAKLMTLSY-NSHDSACASA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](c3ccco3)C2)CC[NH2+]1 ZINC001576598830 993363830 /nfs/dbraw/zinc/36/38/30/993363830.db2.gz OMKDBGBLWYLWNI-RDBSUJKOSA-N 2 1 248.370 2.457 20 0 BEADMP C[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000381279208 993382469 /nfs/dbraw/zinc/38/24/69/993382469.db2.gz XRPATXIGFXMWOP-OPRDCNLKSA-N 2 1 238.297 2.257 20 0 BEADMP C[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000381279208 993382475 /nfs/dbraw/zinc/38/24/75/993382475.db2.gz XRPATXIGFXMWOP-OPRDCNLKSA-N 2 1 238.297 2.257 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C[C@@H]1C ZINC001576732439 993409565 /nfs/dbraw/zinc/40/95/65/993409565.db2.gz UHEVJINALQQPCX-MROQNXINSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C1CC(F)(F)C1 ZINC001576748362 993412419 /nfs/dbraw/zinc/41/24/19/993412419.db2.gz IYXWQLZKQZTBRC-DNRKLUKYSA-N 2 1 246.345 2.396 20 0 BEADMP C[C@H]1C[N@@H+](CCSC(C)(C)C)CC[C@H]1C[NH3+] ZINC001576807269 993428453 /nfs/dbraw/zinc/42/84/53/993428453.db2.gz OZUNNOSCAGXQDD-RYUDHWBXSA-N 2 1 244.448 2.435 20 0 BEADMP CC(C)C([NH2+][C@H]1C[NH2+]C[C@@H](C)C1)C(C)C ZINC001576849775 993433796 /nfs/dbraw/zinc/43/37/96/993433796.db2.gz KEFAXJHQERADKR-NWDGAFQWSA-N 2 1 212.381 2.255 20 0 BEADMP C[C@H]1c2c(F)cccc2CC[N@H+]1CC1(C[NH3+])CC1 ZINC001576915214 993455095 /nfs/dbraw/zinc/45/50/95/993455095.db2.gz UKIDBLAJBNPNEF-NSHDSACASA-N 2 1 248.345 2.484 20 0 BEADMP C[C@H]1c2c(F)cccc2CC[N@@H+]1CC1(C[NH3+])CC1 ZINC001576915214 993455100 /nfs/dbraw/zinc/45/51/00/993455100.db2.gz UKIDBLAJBNPNEF-NSHDSACASA-N 2 1 248.345 2.484 20 0 BEADMP CC[C@H](C)[C@H](C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)OC ZINC001576970360 993474867 /nfs/dbraw/zinc/47/48/67/993474867.db2.gz ILVOTWPZHCWQKE-HTVCTNPSSA-N 2 1 242.407 2.024 20 0 BEADMP CC[C@H](C)[N@@H+](CCO)C[C@H]([NH3+])CCC(C)(C)C ZINC001576996834 993482771 /nfs/dbraw/zinc/48/27/71/993482771.db2.gz XQSDYQWDRIYWGW-QWHCGFSZSA-N 2 1 244.423 2.233 20 0 BEADMP CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+][C@@H]1C ZINC001577096590 993503199 /nfs/dbraw/zinc/50/31/99/993503199.db2.gz ROKBEOXLYBQBCO-SNPRPXQTSA-N 2 1 232.371 2.348 20 0 BEADMP CCC[N@@H+](CC(C)C)C[C@H](O)C[NH+](CC)CC ZINC000383645809 993509245 /nfs/dbraw/zinc/50/92/45/993509245.db2.gz HYRVBGAAXMWJQU-CQSZACIVSA-N 2 1 244.423 2.057 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(Cl)c1C ZINC001577124748 993514587 /nfs/dbraw/zinc/51/45/87/993514587.db2.gz OLWHSWGFCDUXTL-LLVKDONJSA-N 2 1 226.751 2.475 20 0 BEADMP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C[C@@H](C)C1 ZINC000383859621 993524345 /nfs/dbraw/zinc/52/43/45/993524345.db2.gz NPJJPHVDFFGFHV-QKGCVVFFSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C[C@@H](C)C1 ZINC000383859621 993524351 /nfs/dbraw/zinc/52/43/51/993524351.db2.gz NPJJPHVDFFGFHV-QKGCVVFFSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@H]1C[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C[C@@H](C)C1 ZINC000383859625 993526246 /nfs/dbraw/zinc/52/62/46/993526246.db2.gz NPJJPHVDFFGFHV-SEBNEYGDSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C[C@@H](C)C1 ZINC000383859625 993526258 /nfs/dbraw/zinc/52/62/58/993526258.db2.gz NPJJPHVDFFGFHV-SEBNEYGDSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C[C@@H]1C ZINC000383850673 993526649 /nfs/dbraw/zinc/52/66/49/993526649.db2.gz LYDGBPPBNAKORF-QTVXIADOSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C[C@@H]1C ZINC000383850673 993526654 /nfs/dbraw/zinc/52/66/54/993526654.db2.gz LYDGBPPBNAKORF-QTVXIADOSA-N 2 1 236.403 2.495 20 0 BEADMP CC[C@@H]1CCCC[C@@H]1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001577249153 993559556 /nfs/dbraw/zinc/55/95/56/993559556.db2.gz FMGZQFKGGKKLAF-KBUPBQIOSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@@H]1CCCC[C@@H]1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001577249153 993559569 /nfs/dbraw/zinc/55/95/69/993559569.db2.gz FMGZQFKGGKKLAF-KBUPBQIOSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@H]1CCCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577253740 993563306 /nfs/dbraw/zinc/56/33/06/993563306.db2.gz FRXXXTIBVSWYTK-XQQFMLRXSA-N 2 1 210.365 2.378 20 0 BEADMP Cc1ccc(C[N@H+]2CC[NH2+]C[C@@H](C)C2)cc1C ZINC000385298678 993655974 /nfs/dbraw/zinc/65/59/74/993655974.db2.gz JYYDWAIOEYKOAH-GFCCVEGCSA-N 2 1 232.371 2.345 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[NH2+]C[C@@H](C)C2)cc1C ZINC000385298678 993655987 /nfs/dbraw/zinc/65/59/87/993655987.db2.gz JYYDWAIOEYKOAH-GFCCVEGCSA-N 2 1 232.371 2.345 20 0 BEADMP C[C@H]1CC[C@@H]([N@@H+]2CC3CCC2CC3)C[NH2+]1 ZINC000389717393 993759974 /nfs/dbraw/zinc/75/99/74/993759974.db2.gz OJHMESBQGBKMML-YWPUVAFDSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@H]1CC[C@@H]([N@H+]2CC3CCC2CC3)C[NH2+]1 ZINC000389717393 993759986 /nfs/dbraw/zinc/75/99/86/993759986.db2.gz OJHMESBQGBKMML-YWPUVAFDSA-N 2 1 208.349 2.001 20 0 BEADMP CC(C)(C)CC[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000389740154 993764736 /nfs/dbraw/zinc/76/47/36/993764736.db2.gz VPCWOGZOTXRWRF-LBPRGKRZSA-N 2 1 212.381 2.483 20 0 BEADMP [NH3+]C[C@H]1CCCC[N@@H+](CCCC(F)(F)F)C1 ZINC000390495848 993793353 /nfs/dbraw/zinc/79/33/53/993793353.db2.gz RFFXGKREZDHTBX-SNVBAGLBSA-N 2 1 238.297 2.390 20 0 BEADMP C[N@H+]1CC[C@@H](C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000390470475 993793695 /nfs/dbraw/zinc/79/36/95/993793695.db2.gz JCERMHZNRUMCNO-LBPRGKRZSA-N 2 1 222.376 2.251 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000393181012 993911480 /nfs/dbraw/zinc/91/14/80/993911480.db2.gz BUHYVEYYJDCCCG-HNNXBMFYSA-N 2 1 232.371 2.432 20 0 BEADMP Cc1nc(C[N@H+]2CC3CCC2CC3)c[nH]1 ZINC000724780991 994075778 /nfs/dbraw/zinc/07/57/78/994075778.db2.gz YOADNYAQPMBNLZ-UHFFFAOYSA-N 2 1 205.305 2.093 20 0 BEADMP Cc1cccnc1CCC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000822111337 994417167 /nfs/dbraw/zinc/41/71/67/994417167.db2.gz JJGNTYZKGCKLGO-ZIAGYGMSSA-N 2 1 247.386 2.053 20 0 BEADMP Cc1cccnc1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC001308154480 995576984 /nfs/dbraw/zinc/57/69/84/995576984.db2.gz RVBOXCCFNOCZJP-LBPRGKRZSA-N 2 1 244.342 2.017 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](SC)C2)CC1 ZINC001621360140 1170119713 /nfs/dbraw/zinc/11/97/13/1170119713.db2.gz WODFPGMAGFJTLE-ZDUSSCGKSA-N 2 1 242.432 2.156 20 0 BEADMP CCCC[N@H+](C)C[C@H]([NH3+])Cc1ccccc1 ZINC000020072695 1170141645 /nfs/dbraw/zinc/14/16/45/1170141645.db2.gz DIAMVPDFBCNHSG-CQSZACIVSA-N 2 1 220.360 2.288 20 0 BEADMP CCCC[N@@H+](C)C[C@H]([NH3+])Cc1ccccc1 ZINC000020072695 1170141647 /nfs/dbraw/zinc/14/16/47/1170141647.db2.gz DIAMVPDFBCNHSG-CQSZACIVSA-N 2 1 220.360 2.288 20 0 BEADMP CC[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)[C@@H]1C ZINC001621270276 1170758717 /nfs/dbraw/zinc/75/87/17/1170758717.db2.gz QYSAKBDPOZMOLB-TZMCWYRMSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)[C@H]1C ZINC001621270273 1170758380 /nfs/dbraw/zinc/75/83/80/1170758380.db2.gz QYSAKBDPOZMOLB-GXTWGEPZSA-N 2 1 224.392 2.449 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC34CCC4)[C@@H]2C1 ZINC001621570235 1170857308 /nfs/dbraw/zinc/85/73/08/1170857308.db2.gz NZOXIQQEMNPGEH-RFQIPJPRSA-N 2 1 234.387 2.249 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001621570545 1170861421 /nfs/dbraw/zinc/86/14/21/1170861421.db2.gz WYYBWVJIZJGHDY-PEBLQZBPSA-N 2 1 222.376 2.105 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001621570547 1170860108 /nfs/dbraw/zinc/86/01/08/1170860108.db2.gz WYYBWVJIZJGHDY-XHJNMGKDSA-N 2 1 222.376 2.105 20 0 BEADMP C([C@@H]1CCC[NH2+]1)[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000036827223 1170918875 /nfs/dbraw/zinc/91/88/75/1170918875.db2.gz RYYKXPYZNYPFLF-RDBSUJKOSA-N 2 1 222.376 2.393 20 0 BEADMP CC(C)CC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037408395 1170942155 /nfs/dbraw/zinc/94/21/55/1170942155.db2.gz PHDHZBVPYOHLED-GFCCVEGCSA-N 2 1 210.365 2.106 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+]CCC(C)C ZINC000045690078 1171455588 /nfs/dbraw/zinc/45/55/88/1171455588.db2.gz SQBKBUOCESNFCB-LBPRGKRZSA-N 2 1 200.370 2.352 20 0 BEADMP Cc1cccc(CC[N@@H+]2CC[NH2+]C[C@@H](C)C2)c1 ZINC000051670991 1171909131 /nfs/dbraw/zinc/90/91/31/1171909131.db2.gz AUZHUQHRUBGPHH-CQSZACIVSA-N 2 1 232.371 2.079 20 0 BEADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000300932631 349452593 /nfs/dbraw/zinc/45/25/93/349452593.db2.gz NYEIBRCAASJISC-OLZOCXBDSA-N 2 1 212.381 2.339 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000300932633 349452719 /nfs/dbraw/zinc/45/27/19/349452719.db2.gz NYEIBRCAASJISC-QWHCGFSZSA-N 2 1 212.381 2.339 20 0 BEADMP Cc1cccnc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000161861806 349507325 /nfs/dbraw/zinc/50/73/25/349507325.db2.gz DOZWGSVYOPDWKP-ZDUSSCGKSA-N 2 1 235.375 2.195 20 0 BEADMP Cc1cccnc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000161861806 349507327 /nfs/dbraw/zinc/50/73/27/349507327.db2.gz DOZWGSVYOPDWKP-ZDUSSCGKSA-N 2 1 235.375 2.195 20 0 BEADMP Cc1cc(C[NH2+]CCn2cc[nH+]c2C)cs1 ZINC000309266919 178022403 /nfs/dbraw/zinc/02/24/03/178022403.db2.gz FIRDLXRASWTPIX-UHFFFAOYSA-N 2 1 235.356 2.351 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1F ZINC000126909177 178002695 /nfs/dbraw/zinc/00/26/95/178002695.db2.gz HIWVPSGJCIQHNE-YPMHNXCESA-N 2 1 236.334 2.303 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1F ZINC000228152208 178003945 /nfs/dbraw/zinc/00/39/45/178003945.db2.gz HIWVPSGJCIQHNE-AAEUAGOBSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1cccc(C)c1CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422943707 398159833 /nfs/dbraw/zinc/15/98/33/398159833.db2.gz RDHDVJUDBXXYEA-GDBMZVCRSA-N 2 1 246.398 2.434 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424205499 398175543 /nfs/dbraw/zinc/17/55/43/398175543.db2.gz NRYZEGFPTLMBBR-PTEHBNRSSA-N 2 1 231.343 2.036 20 0 BEADMP Cc1cccc(C)c1CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422943710 398160383 /nfs/dbraw/zinc/16/03/83/398160383.db2.gz RDHDVJUDBXXYEA-ZBFHGGJFSA-N 2 1 246.398 2.434 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)c1ccccn1)[C@H]1CCC[NH2+]C1 ZINC000415096561 398161822 /nfs/dbraw/zinc/16/18/22/398161822.db2.gz BKVBIUDRBNOBNT-AGIUHOORSA-N 2 1 233.359 2.120 20 0 BEADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000415119066 398163759 /nfs/dbraw/zinc/16/37/59/398163759.db2.gz YOQMJUFBZLVJKX-UKRRQHHQSA-N 2 1 247.386 2.134 20 0 BEADMP Cc1cc(F)ccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000050569304 178084776 /nfs/dbraw/zinc/08/47/76/178084776.db2.gz VXCIQRDFYJFCAA-UHFFFAOYSA-N 2 1 236.334 2.318 20 0 BEADMP C[NH2+]C1CC[NH+](C[C@@H](OC)c2ccccc2)CC1 ZINC000386064883 398195814 /nfs/dbraw/zinc/19/58/14/398195814.db2.gz KGKQCLQNVSLFHO-OAHLLOKOSA-N 2 1 248.370 2.058 20 0 BEADMP CC(C)CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000336712917 398205259 /nfs/dbraw/zinc/20/52/59/398205259.db2.gz VHQWXCVFGQJFDM-RWMBFGLXSA-N 2 1 210.365 2.092 20 0 BEADMP [NH3+]C[C@H]1C[N@@H+](CCC2CCCCC2)CCCO1 ZINC000313384185 398213616 /nfs/dbraw/zinc/21/36/16/398213616.db2.gz QWRQQNLKAIJEAX-AWEZNQCLSA-N 2 1 240.391 2.006 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCS[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000386621808 398213848 /nfs/dbraw/zinc/21/38/48/398213848.db2.gz YIDNHYPUVUPKCB-NNYUYHANSA-N 2 1 228.405 2.001 20 0 BEADMP Cc1ccc(CCC[N@H+](C)CC(C)(C)C[NH3+])cn1 ZINC000339405899 187330159 /nfs/dbraw/zinc/33/01/59/187330159.db2.gz DCPVPSBZSHADSH-UHFFFAOYSA-N 2 1 249.402 2.239 20 0 BEADMP CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1C[C@@H](C)[NH3+] ZINC000649414280 398212953 /nfs/dbraw/zinc/21/29/53/398212953.db2.gz PUXZLDXFCYEOHQ-TZMCWYRMSA-N 2 1 247.386 2.064 20 0 BEADMP CC[C@@H]1CN(C)c2ccccc2C[N@H+]1C[C@@H](C)[NH3+] ZINC000649414280 398212954 /nfs/dbraw/zinc/21/29/54/398212954.db2.gz PUXZLDXFCYEOHQ-TZMCWYRMSA-N 2 1 247.386 2.064 20 0 BEADMP Cc1cc(NC[C@@H]([NH3+])c2ccccc2)nc(C)[nH+]1 ZINC000062838546 178165871 /nfs/dbraw/zinc/16/58/71/178165871.db2.gz XQJIGXNVKBBJDZ-CYBMUJFWSA-N 2 1 242.326 2.205 20 0 BEADMP Cc1cc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)nc(C)[nH+]1 ZINC000267250878 178188891 /nfs/dbraw/zinc/18/88/91/178188891.db2.gz IJRNUCWREJCUOT-QWHCGFSZSA-N 2 1 248.374 2.378 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)[C@H]2CCCC[C@@H]12 ZINC000647880341 398223417 /nfs/dbraw/zinc/22/34/17/398223417.db2.gz JSMBQFLJUPNZAR-KBXIAJHMSA-N 2 1 236.403 2.497 20 0 BEADMP CCC(CC)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000309408442 168349856 /nfs/dbraw/zinc/34/98/56/168349856.db2.gz FQFJQNMAKCSHMY-UHFFFAOYSA-N 2 1 224.392 2.498 20 0 BEADMP CC[C@H](C)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000421380149 192324362 /nfs/dbraw/zinc/32/43/62/192324362.db2.gz LSHQELXAOHEYRP-NSHDSACASA-N 2 1 221.348 2.283 20 0 BEADMP Cc1cccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000280191518 538937175 /nfs/dbraw/zinc/93/71/75/538937175.db2.gz SGBNTLVGKBTOLG-ZFWWWQNUSA-N 2 1 247.386 2.005 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000229539128 538939587 /nfs/dbraw/zinc/93/95/87/538939587.db2.gz PZHBMFMTNTYDNX-DGCLKSJQSA-N 2 1 210.365 2.391 20 0 BEADMP CC(C)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000165554233 136227237 /nfs/dbraw/zinc/22/72/37/136227237.db2.gz SWNWRMKFHJVEKX-OLZOCXBDSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000165554233 136227238 /nfs/dbraw/zinc/22/72/38/136227238.db2.gz SWNWRMKFHJVEKX-OLZOCXBDSA-N 2 1 210.365 2.249 20 0 BEADMP CCC(CC)C[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000037484203 168361957 /nfs/dbraw/zinc/36/19/57/168361957.db2.gz RYZVBBIRIGTSLU-CYBMUJFWSA-N 2 1 212.381 2.354 20 0 BEADMP CCc1ccc([C@H](C)[NH2+]Cc2cncn2C)o1 ZINC000289873079 538945985 /nfs/dbraw/zinc/94/59/85/538945985.db2.gz RNVYYWAJBJQBDS-JTQLQIEISA-N 2 1 233.315 2.426 20 0 BEADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000647997472 398255398 /nfs/dbraw/zinc/25/53/98/398255398.db2.gz GSDREJCESFMAGR-TZMCWYRMSA-N 2 1 222.376 2.251 20 0 BEADMP CCC[C@@H](C[NH2+]CCC[N@@H+](C)C(C)C)OC ZINC000385947784 398262858 /nfs/dbraw/zinc/26/28/58/398262858.db2.gz CDKXWGUFIIFSRO-ZDUSSCGKSA-N 2 1 230.396 2.121 20 0 BEADMP C[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)C(C)(C)C ZINC000381595577 398265164 /nfs/dbraw/zinc/26/51/64/398265164.db2.gz JRISTSNIMWOORZ-JHJVBQTASA-N 2 1 224.392 2.352 20 0 BEADMP CC[N@H+](CC[NH2+][C@@H](C)CCCOC)C(C)C ZINC000309436401 398269552 /nfs/dbraw/zinc/26/95/52/398269552.db2.gz HIDVWJDEBXFVMG-ZDUSSCGKSA-N 2 1 230.396 2.121 20 0 BEADMP CC[N@@H+](CC[NH2+][C@@H](C)CCCOC)C(C)C ZINC000309436401 398269555 /nfs/dbraw/zinc/26/95/55/398269555.db2.gz HIDVWJDEBXFVMG-ZDUSSCGKSA-N 2 1 230.396 2.121 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624124197 346853509 /nfs/dbraw/zinc/85/35/09/346853509.db2.gz ZSSHLMDDESGQDW-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP CCC(CC)[NH2+]CC[N@H+](C)[C@H](C)CC ZINC000053377522 168387001 /nfs/dbraw/zinc/38/70/01/168387001.db2.gz BVIZMKHEMAGEAJ-LLVKDONJSA-N 2 1 200.370 2.495 20 0 BEADMP CCC(CC)[NH2+]CC[N@@H+](C)[C@H](C)CC ZINC000053377522 168387002 /nfs/dbraw/zinc/38/70/02/168387002.db2.gz BVIZMKHEMAGEAJ-LLVKDONJSA-N 2 1 200.370 2.495 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)C(C)C ZINC000045690498 538992679 /nfs/dbraw/zinc/99/26/79/538992679.db2.gz NKJAQYJUORWCSY-NWDGAFQWSA-N 2 1 200.370 2.351 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCCO2)CC1 ZINC000383258629 539011612 /nfs/dbraw/zinc/01/16/12/539011612.db2.gz SNLGXOWKWOAGJN-GXTWGEPZSA-N 2 1 240.391 2.018 20 0 BEADMP CC[NH+](CC)CCC[NH2+]Cc1ccnc(C)c1 ZINC000233456812 342863804 /nfs/dbraw/zinc/86/38/04/342863804.db2.gz JMNASVDCXBSIOY-UHFFFAOYSA-N 2 1 235.375 2.212 20 0 BEADMP CC(C)C1CC([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000232537413 342856626 /nfs/dbraw/zinc/85/66/26/342856626.db2.gz SQOQEQDBSVVAEM-HSBZDZAISA-N 2 1 224.392 2.352 20 0 BEADMP CC[N@H+](CC[NH2+][C@@H](C)C(C)C)C(C)C ZINC000053376438 346888028 /nfs/dbraw/zinc/88/80/28/346888028.db2.gz SGSNDSWPRPCAAE-LBPRGKRZSA-N 2 1 200.370 2.351 20 0 BEADMP CC[N@@H+](CC[NH2+][C@@H](C)C(C)C)C(C)C ZINC000053376438 346888030 /nfs/dbraw/zinc/88/80/30/346888030.db2.gz SGSNDSWPRPCAAE-LBPRGKRZSA-N 2 1 200.370 2.351 20 0 BEADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(C)o1 ZINC000580311445 346890729 /nfs/dbraw/zinc/89/07/29/346890729.db2.gz KFPHHAAYBMACIL-LLVKDONJSA-N 2 1 210.321 2.238 20 0 BEADMP CC[C@H](c1ccccc1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313350935 259333718 /nfs/dbraw/zinc/33/37/18/259333718.db2.gz LDLYUAKFCZJNSB-LSDHHAIUSA-N 2 1 248.370 2.187 20 0 BEADMP COc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000019958626 342964678 /nfs/dbraw/zinc/96/46/78/342964678.db2.gz IUBIAQCVACWXGF-GFCCVEGCSA-N 2 1 236.359 2.298 20 0 BEADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1CC1(C)C ZINC000401672000 529608545 /nfs/dbraw/zinc/60/85/45/529608545.db2.gz LZDLJGUGAJEWSE-STQMWFEESA-N 2 1 235.375 2.377 20 0 BEADMP C[C@H](Cc1ccsc1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000235481921 343039397 /nfs/dbraw/zinc/03/93/97/343039397.db2.gz MJFHYXJZBAOCAP-ZYHUDNBSSA-N 2 1 224.373 2.021 20 0 BEADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224189962 259345574 /nfs/dbraw/zinc/34/55/74/259345574.db2.gz FILYVAHYYKAPHM-CRWXNKLISA-N 2 1 240.391 2.016 20 0 BEADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224189962 259345576 /nfs/dbraw/zinc/34/55/76/259345576.db2.gz FILYVAHYYKAPHM-CRWXNKLISA-N 2 1 240.391 2.016 20 0 BEADMP Cc1cnc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])s1 ZINC000235927329 343067417 /nfs/dbraw/zinc/06/74/17/343067417.db2.gz ZFBWKDPVPLQTET-QWRGUYRKSA-N 2 1 239.388 2.059 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)[C@H]1C ZINC000252126390 343126119 /nfs/dbraw/zinc/12/61/19/343126119.db2.gz KCSAISMNIWUKGG-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](C(F)F)C1 ZINC000677729297 488204560 /nfs/dbraw/zinc/20/45/60/488204560.db2.gz BUNUNYHOHPUMGE-NEPJUHHUSA-N 2 1 246.345 2.448 20 0 BEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000677729297 488204561 /nfs/dbraw/zinc/20/45/61/488204561.db2.gz BUNUNYHOHPUMGE-NEPJUHHUSA-N 2 1 246.345 2.448 20 0 BEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](C(F)F)C1 ZINC000677729297 488204564 /nfs/dbraw/zinc/20/45/64/488204564.db2.gz BUNUNYHOHPUMGE-NEPJUHHUSA-N 2 1 246.345 2.448 20 0 BEADMP Cc1nc(C)c(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)s1 ZINC000133618803 343185316 /nfs/dbraw/zinc/18/53/16/343185316.db2.gz FJVOSLWQDHAUNU-GZMMTYOYSA-N 2 1 239.388 2.072 20 0 BEADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)s1 ZINC000133618803 343185319 /nfs/dbraw/zinc/18/53/19/343185319.db2.gz FJVOSLWQDHAUNU-GZMMTYOYSA-N 2 1 239.388 2.072 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000082491016 136276675 /nfs/dbraw/zinc/27/66/75/136276675.db2.gz RBZPORVMSMJMKQ-CHWSQXEVSA-N 2 1 210.365 2.108 20 0 BEADMP CCCOc1cccc(C[N@@H+](C)CCC[NH3+])c1 ZINC000133722232 343186417 /nfs/dbraw/zinc/18/64/17/343186417.db2.gz YMVLAOWYWFFRPP-UHFFFAOYSA-N 2 1 236.359 2.256 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000087472165 136281634 /nfs/dbraw/zinc/28/16/34/136281634.db2.gz JPFUSERNOQXZEV-UHFFFAOYSA-N 2 1 220.360 2.345 20 0 BEADMP C[C@H](CN)[N@@H+](C)Cc1cccc2ncccc12 ZINC000634687332 343240832 /nfs/dbraw/zinc/24/08/32/343240832.db2.gz HOIRAOAWCYMTBA-LLVKDONJSA-N 2 1 229.327 2.014 20 0 BEADMP C[C@H](C[NH3+])[N@H+](C)Cc1cccc2ncccc12 ZINC000634687332 343240833 /nfs/dbraw/zinc/24/08/33/343240833.db2.gz HOIRAOAWCYMTBA-LLVKDONJSA-N 2 1 229.327 2.014 20 0 BEADMP C[C@H](C[NH3+])[N@@H+](C)Cc1cccc2ncccc12 ZINC000634687332 343240834 /nfs/dbraw/zinc/24/08/34/343240834.db2.gz HOIRAOAWCYMTBA-LLVKDONJSA-N 2 1 229.327 2.014 20 0 BEADMP CC(C)[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000070585060 136278565 /nfs/dbraw/zinc/27/85/65/136278565.db2.gz GNMVXKDTDOLFDE-CYBMUJFWSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000070585060 136278566 /nfs/dbraw/zinc/27/85/66/136278566.db2.gz GNMVXKDTDOLFDE-CYBMUJFWSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1CC[C@@H](C[NH2+][C@@H](C[NH3+])C2CCCCC2)O1 ZINC000634688339 343247053 /nfs/dbraw/zinc/24/70/53/343247053.db2.gz PLEUPHKZEWHZOL-XBFCOCLRSA-N 2 1 240.391 2.051 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)CC2CC2)CC1 ZINC000069662667 343288227 /nfs/dbraw/zinc/28/82/27/343288227.db2.gz CCPPFHAWOQBRAJ-NSHDSACASA-N 2 1 210.365 2.249 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000034996642 343282672 /nfs/dbraw/zinc/28/26/72/343282672.db2.gz NFRSHUWWJUZKOM-MRXNPFEDSA-N 2 1 244.382 2.228 20 0 BEADMP CC(C)[C@H](C)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000036787480 187254405 /nfs/dbraw/zinc/25/44/05/187254405.db2.gz DKGNUDAEWGWEEQ-LBPRGKRZSA-N 2 1 212.381 2.352 20 0 BEADMP CCC1([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000335626660 136299733 /nfs/dbraw/zinc/29/97/33/136299733.db2.gz VYUCOWCTGSNKEO-NWDGAFQWSA-N 2 1 208.349 2.145 20 0 BEADMP C[C@@H]1CCC[N@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000335698428 136327917 /nfs/dbraw/zinc/32/79/17/136327917.db2.gz NYVUYONZBKVEBD-OLZOCXBDSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@@H]1CCC[NH+]1CC[C@@H]1CCCC[N@@H+]1C ZINC000335698428 136327918 /nfs/dbraw/zinc/32/79/18/136327918.db2.gz NYVUYONZBKVEBD-OLZOCXBDSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@@H]1CCC[NH+]1CC[C@@H]1CCCC[N@H+]1C ZINC000335698428 136327919 /nfs/dbraw/zinc/32/79/19/136327919.db2.gz NYVUYONZBKVEBD-OLZOCXBDSA-N 2 1 210.365 2.345 20 0 BEADMP CC(C)OC1CC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000349351129 136342820 /nfs/dbraw/zinc/34/28/20/136342820.db2.gz FCBGWSRJXZPIAM-IWMBGFJWSA-N 2 1 240.391 2.015 20 0 BEADMP CC(C)OC1CC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000349351129 136342821 /nfs/dbraw/zinc/34/28/21/136342821.db2.gz FCBGWSRJXZPIAM-IWMBGFJWSA-N 2 1 240.391 2.015 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H]1C[C@H]1C ZINC000349344216 136342859 /nfs/dbraw/zinc/34/28/59/136342859.db2.gz HMEYGUMVPNKDNJ-CHWSQXEVSA-N 2 1 212.381 2.306 20 0 BEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccccc1 ZINC000275296921 187339064 /nfs/dbraw/zinc/33/90/64/187339064.db2.gz PMTQEFRTNMTHJU-ZFWWWQNUSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccccc1 ZINC000275296921 187339066 /nfs/dbraw/zinc/33/90/66/187339066.db2.gz PMTQEFRTNMTHJU-ZFWWWQNUSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccccc1 ZINC000275296921 187339067 /nfs/dbraw/zinc/33/90/67/187339067.db2.gz PMTQEFRTNMTHJU-ZFWWWQNUSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccccc1 ZINC000275296921 187339069 /nfs/dbraw/zinc/33/90/69/187339069.db2.gz PMTQEFRTNMTHJU-ZFWWWQNUSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC000166530326 136357874 /nfs/dbraw/zinc/35/78/74/136357874.db2.gz FURIRQNBNMOQRP-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)[nH+]1 ZINC000274594206 136375291 /nfs/dbraw/zinc/37/52/91/136375291.db2.gz KWRMWEWFBDJOLH-UONOGXRCSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)[nH+]1 ZINC000274594206 136375292 /nfs/dbraw/zinc/37/52/92/136375292.db2.gz KWRMWEWFBDJOLH-UONOGXRCSA-N 2 1 245.370 2.311 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)[C@H]2C)CC1 ZINC000308932100 346942575 /nfs/dbraw/zinc/94/25/75/346942575.db2.gz ROMRLWUKUUNXHC-DMDPSCGWSA-N 2 1 210.365 2.105 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC2CCC2)C1 ZINC000398610777 488220464 /nfs/dbraw/zinc/22/04/64/488220464.db2.gz AVOZYRFECOVHSI-ZDUSSCGKSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@H]1CC([NH2+][C@@H]2CCC[NH2+]C2)C[C@H](C)C1 ZINC000082834915 343468125 /nfs/dbraw/zinc/46/81/25/343468125.db2.gz WJKHEONFQBJHMO-IJLUTSLNSA-N 2 1 210.365 2.153 20 0 BEADMP Cc1ccc(C)c([C@H]2CCC[N@@H+]2CC[NH3+])c1 ZINC000084011171 343513838 /nfs/dbraw/zinc/51/38/38/343513838.db2.gz CKLDACUBLHMWRH-CQSZACIVSA-N 2 1 218.344 2.399 20 0 BEADMP Cc1ccc(C)c([C@H]2CCC[N@H+]2CC[NH3+])c1 ZINC000084011171 343513840 /nfs/dbraw/zinc/51/38/40/343513840.db2.gz CKLDACUBLHMWRH-CQSZACIVSA-N 2 1 218.344 2.399 20 0 BEADMP CC[C@H]1C[N@@H+](CCC2CCC2)CC[C@@H]1[NH3+] ZINC000398751680 488223814 /nfs/dbraw/zinc/22/38/14/488223814.db2.gz BYSHWFOIHCZORA-STQMWFEESA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccnc1 ZINC000049553110 343601844 /nfs/dbraw/zinc/60/18/44/343601844.db2.gz VTQALOVWZGRWNT-NEPJUHHUSA-N 2 1 221.348 2.072 20 0 BEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ncccc1CC ZINC000577053493 365795555 /nfs/dbraw/zinc/79/55/55/365795555.db2.gz AVJPSNGRHVWHPL-LBPRGKRZSA-N 2 1 235.375 2.294 20 0 BEADMP CCC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000090219469 343750367 /nfs/dbraw/zinc/75/03/67/343750367.db2.gz OAQAORWHXKEUOQ-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000625450600 343777707 /nfs/dbraw/zinc/77/77/07/343777707.db2.gz QNIJEONGNVVCGL-HZSPNIEDSA-N 2 1 222.376 2.060 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000625450601 343777724 /nfs/dbraw/zinc/77/77/24/343777724.db2.gz QNIJEONGNVVCGL-MCIONIFRSA-N 2 1 222.376 2.060 20 0 BEADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000576804884 343759453 /nfs/dbraw/zinc/75/94/53/343759453.db2.gz AIJPGQHXPQBVEY-MJBXVCDLSA-N 2 1 236.403 2.497 20 0 BEADMP C[NH+](CCC[N@H+](C)C1CCC1)C1CCC1 ZINC000173617759 529885738 /nfs/dbraw/zinc/88/57/38/529885738.db2.gz CVLXLFVAFXMJJN-UHFFFAOYSA-N 2 1 210.365 2.345 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000336682610 537822537 /nfs/dbraw/zinc/82/25/37/537822537.db2.gz RZSDPTKQOUDGKQ-CHWSQXEVSA-N 2 1 221.348 2.216 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000336734939 537832802 /nfs/dbraw/zinc/83/28/02/537832802.db2.gz LHBJAYWVLGJJCL-YUTCNCBUSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000336734939 537832812 /nfs/dbraw/zinc/83/28/12/537832812.db2.gz LHBJAYWVLGJJCL-YUTCNCBUSA-N 2 1 224.392 2.495 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc(Cl)c1 ZINC000401868854 343917086 /nfs/dbraw/zinc/91/70/86/343917086.db2.gz JKJODNVBCQBYHE-UHFFFAOYSA-N 2 1 249.745 2.406 20 0 BEADMP CCCC1(C[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000090402347 343930103 /nfs/dbraw/zinc/93/01/03/343930103.db2.gz INNVDUYFLASOTQ-UHFFFAOYSA-N 2 1 210.365 2.251 20 0 BEADMP Cc1ccoc1CNC[C@@H]1CCC[N@H+](C)C1 ZINC000126789515 344103434 /nfs/dbraw/zinc/10/34/34/344103434.db2.gz ADQPUZYJJUHMPD-LBPRGKRZSA-N 2 1 222.332 2.019 20 0 BEADMP C(CC1CC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128059831 187285841 /nfs/dbraw/zinc/28/58/41/187285841.db2.gz JWXWUZWMLFWAES-QWHCGFSZSA-N 2 1 208.349 2.003 20 0 BEADMP C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1c[nH+]ccc1N ZINC000622043710 344228118 /nfs/dbraw/zinc/22/81/18/344228118.db2.gz ILPIZIVILZUQIH-IUCAKERBSA-N 2 1 241.285 2.190 20 0 BEADMP CC(C)CCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622003960 344181520 /nfs/dbraw/zinc/18/15/20/344181520.db2.gz IGJPUIZTOJRVPK-STQMWFEESA-N 2 1 210.365 2.236 20 0 BEADMP CC(C)CCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000132292796 344297557 /nfs/dbraw/zinc/29/75/57/344297557.db2.gz VEYBWBHZRZJHAJ-OLZOCXBDSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC000132721537 344307322 /nfs/dbraw/zinc/30/73/22/344307322.db2.gz DKIJWELMUNGWSK-NEPJUHHUSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]([NH3+])C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000380760590 344438559 /nfs/dbraw/zinc/43/85/59/344438559.db2.gz WDDGWYWHBVUILV-BXUZGUMPSA-N 2 1 218.344 2.343 20 0 BEADMP C[C@@H]([NH3+])C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000380760590 344438562 /nfs/dbraw/zinc/43/85/62/344438562.db2.gz WDDGWYWHBVUILV-BXUZGUMPSA-N 2 1 218.344 2.343 20 0 BEADMP CCC1CC([NH2+][C@H](C)C[NH+](CC)CC)C1 ZINC000336759623 537845915 /nfs/dbraw/zinc/84/59/15/537845915.db2.gz KWKNTTHGISBFNJ-PNESKVBLSA-N 2 1 212.381 2.495 20 0 BEADMP CCC1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000043327565 344489275 /nfs/dbraw/zinc/48/92/75/344489275.db2.gz JDNLFXBDIMXTHP-BPCQOVAHSA-N 2 1 210.365 2.297 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000336782620 537852575 /nfs/dbraw/zinc/85/25/75/537852575.db2.gz YFWQRDMPWPRRMZ-IACUBPJLSA-N 2 1 224.392 2.495 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000336782621 537851970 /nfs/dbraw/zinc/85/19/70/537851970.db2.gz YFWQRDMPWPRRMZ-UBHSHLNASA-N 2 1 224.392 2.495 20 0 BEADMP C[NH2+]CCC[N@H+](C)[C@H](C)c1cccs1 ZINC000049728262 344685328 /nfs/dbraw/zinc/68/53/28/344685328.db2.gz FGQVGMONAMCFNS-SNVBAGLBSA-N 2 1 212.362 2.350 20 0 BEADMP C[NH2+]CCC[N@@H+](C)[C@H](C)c1cccs1 ZINC000049728262 344685330 /nfs/dbraw/zinc/68/53/30/344685330.db2.gz FGQVGMONAMCFNS-SNVBAGLBSA-N 2 1 212.362 2.350 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCC1CC1 ZINC000161717466 323076408 /nfs/dbraw/zinc/07/64/08/323076408.db2.gz JXOHPAMIXXVZAG-MBNYWOFBSA-N 2 1 224.392 2.495 20 0 BEADMP Cc1cccc(NC2CC[NH+](C3CC3)CC2)[nH+]1 ZINC000114184170 187293483 /nfs/dbraw/zinc/29/34/83/187293483.db2.gz RUHNFBSFBRJMNT-UHFFFAOYSA-N 2 1 231.343 2.429 20 0 BEADMP C[N@@H+](CC1CC[NH+](C)CC1)CC1(C)CCC1 ZINC000432832862 537869129 /nfs/dbraw/zinc/86/91/29/537869129.db2.gz SOXZSYQGCNAEHE-UHFFFAOYSA-N 2 1 224.392 2.450 20 0 BEADMP CC(C)=CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249518018 537878914 /nfs/dbraw/zinc/87/89/14/537878914.db2.gz KNSGBVISOHONSM-STQMWFEESA-N 2 1 208.349 2.169 20 0 BEADMP CC1CC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000166620494 344944071 /nfs/dbraw/zinc/94/40/71/344944071.db2.gz HRGJMPKAKPWADA-FIYWTHMPSA-N 2 1 208.349 2.001 20 0 BEADMP CC1CC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000166620494 344944075 /nfs/dbraw/zinc/94/40/75/344944075.db2.gz HRGJMPKAKPWADA-FIYWTHMPSA-N 2 1 208.349 2.001 20 0 BEADMP CO[C@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000234892869 537881252 /nfs/dbraw/zinc/88/12/52/537881252.db2.gz YZCYVKTWFCDCSX-KGLIPLIRSA-N 2 1 242.407 2.264 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)Nc1ccncc1F ZINC000641621803 362552968 /nfs/dbraw/zinc/55/29/68/362552968.db2.gz HPKPSAPSMNOADR-NSHDSACASA-N 2 1 239.338 2.175 20 0 BEADMP C1=CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000156130256 345130076 /nfs/dbraw/zinc/13/00/76/345130076.db2.gz BDPAISBURWTYQS-IHRRRGAJSA-N 2 1 220.360 2.312 20 0 BEADMP CC(C)C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000156336245 345149995 /nfs/dbraw/zinc/14/99/95/345149995.db2.gz BBDJRFKDOFNACB-CYBMUJFWSA-N 2 1 220.316 2.191 20 0 BEADMP CC[C@@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000226993522 345245784 /nfs/dbraw/zinc/24/57/84/345245784.db2.gz VCLMMGRARILWOS-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000227057917 345246171 /nfs/dbraw/zinc/24/61/71/345246171.db2.gz UHSCNENIZQZPMG-SWLSCSKDSA-N 2 1 232.371 2.418 20 0 BEADMP CCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000227057996 345246380 /nfs/dbraw/zinc/24/63/80/345246380.db2.gz QJMRYCNSBGAUPI-SWLSCSKDSA-N 2 1 248.370 2.254 20 0 BEADMP C[C@@H]1C[N@@H+](CC(C)(C)c2ccccc2)C[C@H]1C[NH3+] ZINC000634998958 345199455 /nfs/dbraw/zinc/19/94/55/345199455.db2.gz NMMOAAJGRCWMJB-ZIAGYGMSSA-N 2 1 246.398 2.491 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(CCF)CC1 ZINC000634999476 345200211 /nfs/dbraw/zinc/20/02/11/345200211.db2.gz VEUGGOFDBALAPN-CYBMUJFWSA-N 2 1 230.371 2.431 20 0 BEADMP C[C@@H](CC1CCC1)[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000635001785 345201218 /nfs/dbraw/zinc/20/12/18/345201218.db2.gz FYULFGKGFONEHK-GMXVVIOVSA-N 2 1 210.365 2.153 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1C ZINC000634999870 345201265 /nfs/dbraw/zinc/20/12/65/345201265.db2.gz BKPQJXSXFCFNIB-IUODEOHRSA-N 2 1 232.371 2.330 20 0 BEADMP CCOc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000634999902 345201872 /nfs/dbraw/zinc/20/18/72/345201872.db2.gz BWSUAAWMLIYNOP-TZMCWYRMSA-N 2 1 248.370 2.112 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCCC12CC2)c1c[nH+]ccc1N ZINC000635003710 345206822 /nfs/dbraw/zinc/20/68/22/345206822.db2.gz KNYWFXHEFJFORP-GXFFZTMASA-N 2 1 231.343 2.477 20 0 BEADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000635014060 345218103 /nfs/dbraw/zinc/21/81/03/345218103.db2.gz YHDFANGYTKGZDA-UTINFBMNSA-N 2 1 236.281 2.187 20 0 BEADMP Cc1scc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1C ZINC000635023080 345222061 /nfs/dbraw/zinc/22/20/61/345222061.db2.gz RMOMIWCSEQCUQT-VXGBXAGGSA-N 2 1 224.373 2.334 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H]1C ZINC000380276426 345265345 /nfs/dbraw/zinc/26/53/45/345265345.db2.gz XUKGIPBJGZGTAK-AVGNSLFASA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H]1C ZINC000380276426 345265348 /nfs/dbraw/zinc/26/53/48/345265348.db2.gz XUKGIPBJGZGTAK-AVGNSLFASA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000336653169 187305268 /nfs/dbraw/zinc/30/52/68/187305268.db2.gz FZYLVRLPFGTQPB-XDQVBPFNSA-N 2 1 224.392 2.338 20 0 BEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1(C2CC2)CC1 ZINC000090772698 345575665 /nfs/dbraw/zinc/57/56/65/345575665.db2.gz VUZHWDSIQVJVQA-KBPBESRZSA-N 2 1 234.387 2.393 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000224826188 345749940 /nfs/dbraw/zinc/74/99/40/345749940.db2.gz YOADTNPJWSPKEV-CMPLNLGQSA-N 2 1 222.332 2.083 20 0 BEADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccccc1 ZINC000196984527 345725758 /nfs/dbraw/zinc/72/57/58/345725758.db2.gz VWYUEDTZPJPPMM-UHFFFAOYSA-N 2 1 243.354 2.485 20 0 BEADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccccc1 ZINC000196984527 345725762 /nfs/dbraw/zinc/72/57/62/345725762.db2.gz VWYUEDTZPJPPMM-UHFFFAOYSA-N 2 1 243.354 2.485 20 0 BEADMP C[C@H]1C[C@H]([N@@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000229539137 537908685 /nfs/dbraw/zinc/90/86/85/537908685.db2.gz PZHBMFMTNTYDNX-WCQYABFASA-N 2 1 210.365 2.391 20 0 BEADMP CC(C)[NH2+][C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC000070585040 345789058 /nfs/dbraw/zinc/78/90/58/345789058.db2.gz PKTIPDWJQNRTMV-CYBMUJFWSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC000070585040 345789062 /nfs/dbraw/zinc/78/90/62/345789062.db2.gz PKTIPDWJQNRTMV-CYBMUJFWSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1C[C@H](NCc2cnc(C3CC3)o2)CC[N@H+]1C ZINC000628223413 345964240 /nfs/dbraw/zinc/96/42/40/345964240.db2.gz CYPPSQQJZIHXGW-ZYHUDNBSSA-N 2 1 249.358 2.124 20 0 BEADMP CCCCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366481847 537953523 /nfs/dbraw/zinc/95/35/23/537953523.db2.gz LWBIVBLZERWHBI-CYBMUJFWSA-N 2 1 210.365 2.204 20 0 BEADMP CCCCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366481847 537953526 /nfs/dbraw/zinc/95/35/26/537953526.db2.gz LWBIVBLZERWHBI-CYBMUJFWSA-N 2 1 210.365 2.204 20 0 BEADMP CCCCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366481847 537953531 /nfs/dbraw/zinc/95/35/31/537953531.db2.gz LWBIVBLZERWHBI-CYBMUJFWSA-N 2 1 210.365 2.204 20 0 BEADMP C[C@@H]([NH2+]Cc1ccnc2ccccc12)[C@H](C)[NH3+] ZINC000577079243 365807686 /nfs/dbraw/zinc/80/76/86/365807686.db2.gz IVAAPRNUIIXZHS-WDEREUQCSA-N 2 1 229.327 2.060 20 0 BEADMP Cc1cccc(C[N@@H+](C)[C@H](C[NH3+])C2CC2)c1 ZINC000042435710 179070182 /nfs/dbraw/zinc/07/01/82/179070182.db2.gz HNMOCKZFKCKVLF-CQSZACIVSA-N 2 1 218.344 2.164 20 0 BEADMP Cc1cccc(C[N@H+](C)[C@H](C[NH3+])C2CC2)c1 ZINC000042435710 179070184 /nfs/dbraw/zinc/07/01/84/179070184.db2.gz HNMOCKZFKCKVLF-CQSZACIVSA-N 2 1 218.344 2.164 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1C ZINC000050245536 179078448 /nfs/dbraw/zinc/07/84/48/179078448.db2.gz HAHXYLPZNSHCMZ-ZDUSSCGKSA-N 2 1 218.344 2.084 20 0 BEADMP CC1(C)CC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000334214751 346445191 /nfs/dbraw/zinc/44/51/91/346445191.db2.gz SYEUUWMVLSIRST-ZDUSSCGKSA-N 2 1 222.376 2.391 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1C ZINC000228151548 179082784 /nfs/dbraw/zinc/08/27/84/179082784.db2.gz ZFEKOWXRNGNBGA-ZFWWWQNUSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1cccc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1C ZINC000235665963 179084481 /nfs/dbraw/zinc/08/44/81/179084481.db2.gz PQMXPQAQYXAQCW-FZMZJTMJSA-N 2 1 218.344 2.082 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1C ZINC000235665963 179084485 /nfs/dbraw/zinc/08/44/85/179084485.db2.gz PQMXPQAQYXAQCW-FZMZJTMJSA-N 2 1 218.344 2.082 20 0 BEADMP C[C@H](C1CC1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000170794146 346451932 /nfs/dbraw/zinc/45/19/32/346451932.db2.gz TVHVQENCRVACLD-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP Cc1c[nH+]ccc1NC[C@@H]1CCC[N@H+](C)C1 ZINC000070047283 349965644 /nfs/dbraw/zinc/96/56/44/349965644.db2.gz COZQPSTVNICZHU-LBPRGKRZSA-N 2 1 219.332 2.144 20 0 BEADMP Cc1cccc(C[NH2+]C[C@@H](C)C[NH+](C)C)c1F ZINC000295818741 179091915 /nfs/dbraw/zinc/09/19/15/179091915.db2.gz XQBFPSYGTROIIP-LLVKDONJSA-N 2 1 238.350 2.421 20 0 BEADMP CCCc1[nH+]ccn1CC[C@@H]1CCC[NH2+]C1 ZINC000069964133 349969826 /nfs/dbraw/zinc/96/98/26/349969826.db2.gz PGCJOQMSDJGLIY-LBPRGKRZSA-N 2 1 221.348 2.225 20 0 BEADMP CCCc1[nH+]ccn1CC[C@H]1CCC[NH2+]C1 ZINC000069964136 349970181 /nfs/dbraw/zinc/97/01/81/349970181.db2.gz PGCJOQMSDJGLIY-GFCCVEGCSA-N 2 1 221.348 2.225 20 0 BEADMP Cc1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000105480771 179101348 /nfs/dbraw/zinc/10/13/48/179101348.db2.gz HSGQEBFLXRMXIJ-ZFWWWQNUSA-N 2 1 232.371 2.425 20 0 BEADMP CC1(C)c2ccccc2CC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000641802132 362758131 /nfs/dbraw/zinc/75/81/31/362758131.db2.gz XWTHCGPRIHCHHY-ZDUSSCGKSA-N 2 1 244.382 2.389 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000300415315 346670775 /nfs/dbraw/zinc/67/07/75/346670775.db2.gz SXECNNROCKQDSX-FQUUOJAGSA-N 2 1 242.407 2.262 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000300415315 346670778 /nfs/dbraw/zinc/67/07/78/346670778.db2.gz SXECNNROCKQDSX-FQUUOJAGSA-N 2 1 242.407 2.262 20 0 BEADMP Cc1cccc(N[C@H]2CC[N@H+](C)[C@H](C)C2)[nH+]1 ZINC000128145118 179157596 /nfs/dbraw/zinc/15/75/96/179157596.db2.gz LOMOMDCGIPBRMI-NEPJUHHUSA-N 2 1 219.332 2.285 20 0 BEADMP Cc1cccc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)[nH+]1 ZINC000128145118 179157599 /nfs/dbraw/zinc/15/75/99/179157599.db2.gz LOMOMDCGIPBRMI-NEPJUHHUSA-N 2 1 219.332 2.285 20 0 BEADMP Cc1cccc(OCC[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000042896903 179167485 /nfs/dbraw/zinc/16/74/85/179167485.db2.gz NECPUYJBHXJNAD-KBPBESRZSA-N 2 1 248.370 2.185 20 0 BEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000382101586 347168624 /nfs/dbraw/zinc/16/86/24/347168624.db2.gz GWPMVDISSALGBP-KSSYENDESA-N 2 1 228.355 2.195 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000382101586 347168626 /nfs/dbraw/zinc/16/86/26/347168626.db2.gz GWPMVDISSALGBP-KSSYENDESA-N 2 1 228.355 2.195 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000387998990 347151208 /nfs/dbraw/zinc/15/12/08/347151208.db2.gz LXTZAIBBWLNTBT-NEPJUHHUSA-N 2 1 222.376 2.249 20 0 BEADMP Cc1cccc([C@@H](C)[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000203597023 179181149 /nfs/dbraw/zinc/18/11/49/179181149.db2.gz XBPHPELGIVYRHC-YUELXQCFSA-N 2 1 230.355 2.207 20 0 BEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC=CCC1 ZINC000679323816 488337791 /nfs/dbraw/zinc/33/77/91/488337791.db2.gz LWLGGUUAECEBGR-CYBMUJFWSA-N 2 1 208.349 2.123 20 0 BEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC=CCC1 ZINC000679323816 488337792 /nfs/dbraw/zinc/33/77/92/488337792.db2.gz LWLGGUUAECEBGR-CYBMUJFWSA-N 2 1 208.349 2.123 20 0 BEADMP Cc1cccc2c1C[N@@H+](CCn1ccnc1)CC2 ZINC000277406291 179216865 /nfs/dbraw/zinc/21/68/65/179216865.db2.gz ZTSBUTWGULPZOV-UHFFFAOYSA-N 2 1 241.338 2.250 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000227057923 136730268 /nfs/dbraw/zinc/73/02/68/136730268.db2.gz UHSCNENIZQZPMG-WFASDCNBSA-N 2 1 232.371 2.418 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000392185349 347503671 /nfs/dbraw/zinc/50/36/71/347503671.db2.gz DAXPZWYIXUYCHY-CYBMUJFWSA-N 2 1 240.416 2.124 20 0 BEADMP Cc1ccccc1C[N@@H+](C)CCC[NH+](C)C ZINC000336670074 179270826 /nfs/dbraw/zinc/27/08/26/179270826.db2.gz ILSKWBBQAHFWFO-UHFFFAOYSA-N 2 1 220.360 2.379 20 0 BEADMP Cc1ccccc1C[N@H+](C)CCC[NH+](C)C ZINC000336670074 179270827 /nfs/dbraw/zinc/27/08/27/179270827.db2.gz ILSKWBBQAHFWFO-UHFFFAOYSA-N 2 1 220.360 2.379 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1sccc1Cl ZINC000414842504 323151636 /nfs/dbraw/zinc/15/16/36/323151636.db2.gz OYQSNIDYJMMECK-QMMMGPOBSA-N 2 1 232.780 2.347 20 0 BEADMP CSCC1CCC([NH2+]CC[NH2+]C2CC2)CC1 ZINC000591577329 347677977 /nfs/dbraw/zinc/67/79/77/347677977.db2.gz RCRIHDJDHKPQML-UHFFFAOYSA-N 2 1 242.432 2.250 20 0 BEADMP CCS[C@H]1CCCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000592477068 347791623 /nfs/dbraw/zinc/79/16/23/347791623.db2.gz QYLYNUMHGZSOEE-STQMWFEESA-N 2 1 242.432 2.204 20 0 BEADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2noc3ccccc32)C1 ZINC000577388593 365943197 /nfs/dbraw/zinc/94/31/97/365943197.db2.gz LLSMCRQPISAVTH-QWRGUYRKSA-N 2 1 245.326 2.187 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCC2(C)C)C1 ZINC000389388654 537994874 /nfs/dbraw/zinc/99/48/74/537994874.db2.gz UOQFGUXMWOHZBJ-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(CC)o1 ZINC000577382950 365940733 /nfs/dbraw/zinc/94/07/33/365940733.db2.gz FKRUGACPVLZSQY-LLVKDONJSA-N 2 1 224.348 2.492 20 0 BEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000577482030 365954224 /nfs/dbraw/zinc/95/42/24/365954224.db2.gz QYLFJAZPGMANPI-RKDXNWHRSA-N 2 1 228.286 2.450 20 0 BEADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H](C)[NH3+] ZINC000336405946 179329154 /nfs/dbraw/zinc/32/91/54/179329154.db2.gz DSLRHJMTZVLHKH-OCCSQVGLSA-N 2 1 218.344 2.479 20 0 BEADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1CCCNC1 ZINC000088162537 179339142 /nfs/dbraw/zinc/33/91/42/179339142.db2.gz NXILAOZYLQFMOZ-STQMWFEESA-N 2 1 218.344 2.398 20 0 BEADMP CC[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000054468132 348023082 /nfs/dbraw/zinc/02/30/82/348023082.db2.gz HTLOIIFJKSVNMK-ZDEQEGDKSA-N 2 1 212.381 2.351 20 0 BEADMP CCc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])s1 ZINC000308534182 323175195 /nfs/dbraw/zinc/17/51/95/323175195.db2.gz LUQOKQDCUQPPMG-RKDXNWHRSA-N 2 1 212.362 2.136 20 0 BEADMP C[C@H](CSCCF)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000595025268 348172776 /nfs/dbraw/zinc/17/27/76/348172776.db2.gz KRGLUQBRNHGNIA-IJLUTSLNSA-N 2 1 248.411 2.150 20 0 BEADMP C[C@H](CSCCF)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000595025268 348172778 /nfs/dbraw/zinc/17/27/78/348172778.db2.gz KRGLUQBRNHGNIA-IJLUTSLNSA-N 2 1 248.411 2.150 20 0 BEADMP C[C@H](c1cccnc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253176867 348228969 /nfs/dbraw/zinc/22/89/69/348228969.db2.gz ALZILMHMUQIRFN-YRGRVCCFSA-N 2 1 233.359 2.059 20 0 BEADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000401879269 348435247 /nfs/dbraw/zinc/43/52/47/348435247.db2.gz PMJCMUYUSCIUMB-DGCLKSJQSA-N 2 1 235.375 2.377 20 0 BEADMP CSCC1(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000596648915 348604547 /nfs/dbraw/zinc/60/45/47/348604547.db2.gz BEDKRMVTBSPVCF-NEPJUHHUSA-N 2 1 242.432 2.107 20 0 BEADMP CC[NH+](CC)CCCn1cc[nH+]c1C1CC1 ZINC000530130414 323202464 /nfs/dbraw/zinc/20/24/64/323202464.db2.gz VPJACPPBDUQWSX-UHFFFAOYSA-N 2 1 221.348 2.492 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCSC2)CC1(C)C ZINC000623509998 362934973 /nfs/dbraw/zinc/93/49/73/362934973.db2.gz BJPLQZVDMYWHDQ-NWDGAFQWSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H](C[NH2+][C@@H](C)c1ccoc1)C[NH+](C)C ZINC000308905133 349062023 /nfs/dbraw/zinc/06/20/23/349062023.db2.gz LETLHIWWRHCYSW-QWRGUYRKSA-N 2 1 210.321 2.128 20 0 BEADMP CC[NH+](CC)CCC[N@H+](C)CCOC(C)(C)C ZINC000599183605 349113159 /nfs/dbraw/zinc/11/31/59/349113159.db2.gz UJMSKIXSYJOKFV-UHFFFAOYSA-N 2 1 244.423 2.465 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](C)CCOC(C)(C)C ZINC000599183605 349113161 /nfs/dbraw/zinc/11/31/61/349113161.db2.gz UJMSKIXSYJOKFV-UHFFFAOYSA-N 2 1 244.423 2.465 20 0 BEADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C[C@H](C)COC ZINC000249248761 349162125 /nfs/dbraw/zinc/16/21/25/349162125.db2.gz BPKVKGGZITZDFJ-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP CC[C@H]1CCCC[N@H+]1CC[NH2+]C[C@H](C)COC ZINC000249248761 349162126 /nfs/dbraw/zinc/16/21/26/349162126.db2.gz BPKVKGGZITZDFJ-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CSC2(C)C)CC1(C)C ZINC000623516292 362940930 /nfs/dbraw/zinc/94/09/30/362940930.db2.gz LVMNBSJQJPTDOK-GHMZBOCLSA-N 2 1 242.432 2.343 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000250483673 349171253 /nfs/dbraw/zinc/17/12/53/349171253.db2.gz DEMWUSNSSPWNMW-OLZOCXBDSA-N 2 1 242.432 2.202 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000336678195 538045150 /nfs/dbraw/zinc/04/51/50/538045150.db2.gz CGYLRNPJLZDDEU-UONOGXRCSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000336678195 538045155 /nfs/dbraw/zinc/04/51/55/538045155.db2.gz CGYLRNPJLZDDEU-UONOGXRCSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC2CC2)C1 ZINC000132427268 191032866 /nfs/dbraw/zinc/03/28/66/191032866.db2.gz WUOLIKCKIWIPNN-WCQYABFASA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@H]1C[N@@H+](CCOCCC(C)C)CC[C@@H]1[NH3+] ZINC000147517896 538057069 /nfs/dbraw/zinc/05/70/69/538057069.db2.gz CLAJCXVFQVBKOT-KBPBESRZSA-N 2 1 242.407 2.108 20 0 BEADMP CSC1(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000304248333 350150619 /nfs/dbraw/zinc/15/06/19/350150619.db2.gz GLOBHMGINKUYAG-LBPRGKRZSA-N 2 1 242.432 2.202 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccnc1 ZINC000136299092 180235957 /nfs/dbraw/zinc/23/59/57/180235957.db2.gz RVHYCMHZZYZRJH-UHFFFAOYSA-N 2 1 244.342 2.109 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccnc1 ZINC000136299092 180235960 /nfs/dbraw/zinc/23/59/60/180235960.db2.gz RVHYCMHZZYZRJH-UHFFFAOYSA-N 2 1 244.342 2.109 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccco1 ZINC000270574814 180236265 /nfs/dbraw/zinc/23/62/65/180236265.db2.gz BPCITQGHQZCZLH-UHFFFAOYSA-N 2 1 233.315 2.307 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccco1 ZINC000270574814 180236267 /nfs/dbraw/zinc/23/62/67/180236267.db2.gz BPCITQGHQZCZLH-UHFFFAOYSA-N 2 1 233.315 2.307 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000336698528 180240123 /nfs/dbraw/zinc/24/01/23/180240123.db2.gz JFQZOXXYJCYKGX-TXEJJXNPSA-N 2 1 221.348 2.169 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000336698528 180240126 /nfs/dbraw/zinc/24/01/26/180240126.db2.gz JFQZOXXYJCYKGX-TXEJJXNPSA-N 2 1 221.348 2.169 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)C1CCCCC1 ZINC000336694947 180247576 /nfs/dbraw/zinc/24/75/76/180247576.db2.gz FHKUBWAMDMCQFY-UHFFFAOYSA-N 2 1 221.348 2.456 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)C1CCCCC1 ZINC000336694947 180247579 /nfs/dbraw/zinc/24/75/79/180247579.db2.gz FHKUBWAMDMCQFY-UHFFFAOYSA-N 2 1 221.348 2.456 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccncc1 ZINC000271054695 180248240 /nfs/dbraw/zinc/24/82/40/180248240.db2.gz CIENHOCBZKGLSS-GFCCVEGCSA-N 2 1 244.342 2.327 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000336662580 180249401 /nfs/dbraw/zinc/24/94/01/180249401.db2.gz CKEQPGKOKSAZKH-NSHDSACASA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000336662580 180249403 /nfs/dbraw/zinc/24/94/03/180249403.db2.gz CKEQPGKOKSAZKH-NSHDSACASA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000336662562 180251331 /nfs/dbraw/zinc/25/13/31/180251331.db2.gz CKEQPGKOKSAZKH-LLVKDONJSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)C1(C)CC1 ZINC000336662562 180251332 /nfs/dbraw/zinc/25/13/32/180251332.db2.gz CKEQPGKOKSAZKH-LLVKDONJSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1C ZINC000336705471 180240571 /nfs/dbraw/zinc/24/05/71/180240571.db2.gz QOGOKNMUFRVSHV-GFCCVEGCSA-N 2 1 221.348 2.456 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1C ZINC000336705471 180240574 /nfs/dbraw/zinc/24/05/74/180240574.db2.gz QOGOKNMUFRVSHV-GFCCVEGCSA-N 2 1 221.348 2.456 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000336696832 180241099 /nfs/dbraw/zinc/24/10/99/180241099.db2.gz HEQVCIWNCYKOCS-RYUDHWBXSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)C[C@@H]1C ZINC000336696832 180241100 /nfs/dbraw/zinc/24/11/00/180241100.db2.gz HEQVCIWNCYKOCS-RYUDHWBXSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1nccn1CC[C@@H]1CCCC[N@@H+]1C ZINC000230201916 180262531 /nfs/dbraw/zinc/26/25/31/180262531.db2.gz IBBOSNNDVUJHOG-LBPRGKRZSA-N 2 1 207.321 2.066 20 0 BEADMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1C ZINC000230201916 180262533 /nfs/dbraw/zinc/26/25/33/180262533.db2.gz IBBOSNNDVUJHOG-LBPRGKRZSA-N 2 1 207.321 2.066 20 0 BEADMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1C ZINC000230201916 180262534 /nfs/dbraw/zinc/26/25/34/180262534.db2.gz IBBOSNNDVUJHOG-LBPRGKRZSA-N 2 1 207.321 2.066 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccco1 ZINC000237560326 180264149 /nfs/dbraw/zinc/26/41/49/180264149.db2.gz GQATVXWXVWHIHK-LLVKDONJSA-N 2 1 233.315 2.210 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CC(C)C ZINC000052576313 180266395 /nfs/dbraw/zinc/26/63/95/180266395.db2.gz NKNKCXNUANJKDG-LLVKDONJSA-N 2 1 209.337 2.073 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H]1C[C@@H]1C ZINC000309801517 180267273 /nfs/dbraw/zinc/26/72/73/180267273.db2.gz WNPIOTVZOKXSPD-NTZNESFSSA-N 2 1 221.348 2.073 20 0 BEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccncc1 ZINC000105443379 180267337 /nfs/dbraw/zinc/26/73/37/180267337.db2.gz MGQQXMHRKWRXMO-LBPRGKRZSA-N 2 1 244.342 2.012 20 0 BEADMP CCC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)OC ZINC000623535260 362954325 /nfs/dbraw/zinc/95/43/25/362954325.db2.gz SARGAMSPGZTZGI-QWHCGFSZSA-N 2 1 242.407 2.264 20 0 BEADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)ccn1 ZINC000623537088 362955777 /nfs/dbraw/zinc/95/57/77/362955777.db2.gz MQUPXYDKTIQJRL-AWEZNQCLSA-N 2 1 247.386 2.352 20 0 BEADMP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)ccn1 ZINC000623537088 362955778 /nfs/dbraw/zinc/95/57/78/362955778.db2.gz MQUPXYDKTIQJRL-AWEZNQCLSA-N 2 1 247.386 2.352 20 0 BEADMP CCC1([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623536832 362955849 /nfs/dbraw/zinc/95/58/49/362955849.db2.gz DKPLNJHQNXUHMM-NSHDSACASA-N 2 1 210.365 2.391 20 0 BEADMP Cc1ncsc1C[NH2+]CCC[NH+]1CCCC1 ZINC000084149172 180319954 /nfs/dbraw/zinc/31/99/54/180319954.db2.gz BCSTZUGYJPEYAP-UHFFFAOYSA-N 2 1 239.388 2.027 20 0 BEADMP Cc1cc[nH+]c(N[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000162805888 350433991 /nfs/dbraw/zinc/43/39/91/350433991.db2.gz AUXDEMNFKHNEQU-RYUDHWBXSA-N 2 1 219.332 2.142 20 0 BEADMP Cc1cc[nH+]c(N[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000162805888 350433994 /nfs/dbraw/zinc/43/39/94/350433994.db2.gz AUXDEMNFKHNEQU-RYUDHWBXSA-N 2 1 219.332 2.142 20 0 BEADMP CC[NH+]1CCC([N@H+](C)CCCSC)CC1 ZINC000336644375 350422794 /nfs/dbraw/zinc/42/27/94/350422794.db2.gz GEDRRLUNKZCYNR-UHFFFAOYSA-N 2 1 230.421 2.156 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)CCCSC)CC1 ZINC000336644375 350422797 /nfs/dbraw/zinc/42/27/97/350422797.db2.gz GEDRRLUNKZCYNR-UHFFFAOYSA-N 2 1 230.421 2.156 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOC2(C)C)CC1(C)C ZINC000623537454 362956996 /nfs/dbraw/zinc/95/69/96/362956996.db2.gz YKSCGTVDUBYYDO-VXGBXAGGSA-N 2 1 240.391 2.016 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]CC(C)(C)C ZINC000336758880 350502678 /nfs/dbraw/zinc/50/26/78/350502678.db2.gz KFIOMUNBMIJCQS-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]CC(C)(C)C ZINC000336758880 350502683 /nfs/dbraw/zinc/50/26/83/350502683.db2.gz KFIOMUNBMIJCQS-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2occc2C)C1 ZINC000337879137 350635176 /nfs/dbraw/zinc/63/51/76/350635176.db2.gz QHIMJNKLKLRHOC-ZDUSSCGKSA-N 2 1 236.359 2.410 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2occc2C)C1 ZINC000337879137 350635178 /nfs/dbraw/zinc/63/51/78/350635178.db2.gz QHIMJNKLKLRHOC-ZDUSSCGKSA-N 2 1 236.359 2.410 20 0 BEADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccccn2)C1 ZINC000346980131 366001767 /nfs/dbraw/zinc/00/17/67/366001767.db2.gz JDXUDPPSZDGOBO-KGLIPLIRSA-N 2 1 247.386 2.464 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccccn2)C1 ZINC000346980131 366001781 /nfs/dbraw/zinc/00/17/81/366001781.db2.gz JDXUDPPSZDGOBO-KGLIPLIRSA-N 2 1 247.386 2.464 20 0 BEADMP CO[C@H](C)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000252710339 538099681 /nfs/dbraw/zinc/09/96/81/538099681.db2.gz GIZQIIJFNMEMBH-PJIALRRASA-N 2 1 240.391 2.015 20 0 BEADMP CO[C@H](C)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000252710339 538099684 /nfs/dbraw/zinc/09/96/84/538099684.db2.gz GIZQIIJFNMEMBH-PJIALRRASA-N 2 1 240.391 2.015 20 0 BEADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623564115 362990696 /nfs/dbraw/zinc/99/06/96/362990696.db2.gz SKCAYAIUBGUULX-JHJVBQTASA-N 2 1 240.391 2.016 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CC2(F)F)CC1(C)C ZINC000623570153 362999460 /nfs/dbraw/zinc/99/94/60/362999460.db2.gz JEADXLFZSUGSDX-JQWIXIFHSA-N 2 1 246.345 2.494 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]32)CC1(C)C ZINC000623572202 363002278 /nfs/dbraw/zinc/00/22/78/363002278.db2.gz USPUTNMZZPVBDO-WUHRBBMRSA-N 2 1 222.376 2.247 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@H]2CC2(F)F)CC1(C)C ZINC000623575977 363005968 /nfs/dbraw/zinc/00/59/68/363005968.db2.gz YIPCNDXYUCEMRE-QWRGUYRKSA-N 2 1 246.345 2.494 20 0 BEADMP C[N@@H+](CCCc1ccccc1)C1CC[NH2+]CC1 ZINC000036301337 358461510 /nfs/dbraw/zinc/46/15/10/358461510.db2.gz LRKWMFCBZLUPDV-UHFFFAOYSA-N 2 1 232.371 2.303 20 0 BEADMP CC(C)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261530860 535161611 /nfs/dbraw/zinc/16/16/11/535161611.db2.gz DIDRAFOUPUORSR-JHJVBQTASA-N 2 1 212.381 2.351 20 0 BEADMP Cc1nc(C)c([C@H](C)[NH2+]CC2([NH3+])CCC2)s1 ZINC000088051952 351540602 /nfs/dbraw/zinc/54/06/02/351540602.db2.gz PUFJXWKIFZVSNX-QMMMGPOBSA-N 2 1 239.388 2.292 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+]CCC1CCOCC1 ZINC000638337824 352156676 /nfs/dbraw/zinc/15/66/76/352156676.db2.gz LAYYCWJHQJKCMX-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+]CC1(COC)CCC1 ZINC000638338095 352157804 /nfs/dbraw/zinc/15/78/04/352157804.db2.gz QXXGZKAYHXWXSW-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000638338245 352158209 /nfs/dbraw/zinc/15/82/09/352158209.db2.gz UOEFKCAMYATAKF-WDEREUQCSA-N 2 1 234.334 2.350 20 0 BEADMP CC[C@H](C[NH2+]CCC[C@H]1CCO1)[NH+]1CCCC1 ZINC000638354461 352169156 /nfs/dbraw/zinc/16/91/56/352169156.db2.gz NRNOMJCFPPTERE-KGLIPLIRSA-N 2 1 240.391 2.020 20 0 BEADMP CC[C@H](C[NH2+][C@H](C)[C@H]1CC1(F)F)[NH+]1CCCC1 ZINC000638354664 352169244 /nfs/dbraw/zinc/16/92/44/352169244.db2.gz SQEOFHKQWLJQGI-IJLUTSLNSA-N 2 1 246.345 2.494 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@](C)(CC)OC)C1 ZINC000638408450 352214574 /nfs/dbraw/zinc/21/45/74/352214574.db2.gz BBOPGDHXXBXYLV-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638452128 352262038 /nfs/dbraw/zinc/26/20/38/352262038.db2.gz VEEOBYDUOOGSTM-XQLPTFJDSA-N 2 1 236.403 2.354 20 0 BEADMP CC(C)COc1ccc(C[NH2+][C@H](C)C[NH3+])cc1 ZINC000414932728 352338249 /nfs/dbraw/zinc/33/82/49/352338249.db2.gz RZVFIHXKMBJIEX-GFCCVEGCSA-N 2 1 236.359 2.158 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000414947155 352370727 /nfs/dbraw/zinc/37/07/27/352370727.db2.gz URZRHEBMPYVICX-IMIFBBOLSA-N 2 1 218.344 2.115 20 0 BEADMP C[N@H+](CC[NH2+]CCC[C@H]1CCO1)C1CCCC1 ZINC000638544923 352374288 /nfs/dbraw/zinc/37/42/88/352374288.db2.gz LFZGSSCLAPJUHC-AWEZNQCLSA-N 2 1 240.391 2.020 20 0 BEADMP C[N@@H+](CC[NH2+]CCC[C@H]1CCO1)C1CCCC1 ZINC000638544923 352374291 /nfs/dbraw/zinc/37/42/91/352374291.db2.gz LFZGSSCLAPJUHC-AWEZNQCLSA-N 2 1 240.391 2.020 20 0 BEADMP COc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1Cl ZINC000415004005 352479300 /nfs/dbraw/zinc/47/93/00/352479300.db2.gz HAPZCHOCBSQCII-BDAKNGLRSA-N 2 1 242.750 2.174 20 0 BEADMP C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)C1CCCC1 ZINC000334192767 352784539 /nfs/dbraw/zinc/78/45/39/352784539.db2.gz JQFCCRBHAUPEAK-JQWIXIFHSA-N 2 1 233.359 2.435 20 0 BEADMP C[C@H]1C[N@H+](C)C[C@@H]1NCc1cc(F)cc(F)c1 ZINC000334267989 352903768 /nfs/dbraw/zinc/90/37/68/352903768.db2.gz OFEGHOZTAWSKLH-ZANVPECISA-N 2 1 240.297 2.005 20 0 BEADMP C[C@H]1C[N@@H+](C)C[C@@H]1NCc1cc(F)cc(F)c1 ZINC000334267989 352903775 /nfs/dbraw/zinc/90/37/75/352903775.db2.gz OFEGHOZTAWSKLH-ZANVPECISA-N 2 1 240.297 2.005 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CC(C)(C)C1 ZINC000336765392 188004093 /nfs/dbraw/zinc/00/40/93/188004093.db2.gz RARXCQSTJQQXRQ-LLVKDONJSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CC(C)(C)C1 ZINC000336765392 188004095 /nfs/dbraw/zinc/00/40/95/188004095.db2.gz RARXCQSTJQQXRQ-LLVKDONJSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)([NH3+])C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000261552221 535210061 /nfs/dbraw/zinc/21/00/61/535210061.db2.gz MRGVVFSNYNWBOZ-UHFFFAOYSA-N 2 1 244.285 2.115 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000159978686 538111506 /nfs/dbraw/zinc/11/15/06/538111506.db2.gz SDFPXNQBIRETAY-MRVWCRGKSA-N 2 1 222.376 2.249 20 0 BEADMP CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000070613545 353260740 /nfs/dbraw/zinc/26/07/40/353260740.db2.gz QFISPLDUTYATLE-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000251718408 353287996 /nfs/dbraw/zinc/28/79/96/353287996.db2.gz ILBOPLDSZVRMND-RFGFWPKPSA-N 2 1 224.392 2.482 20 0 BEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCF)C1 ZINC000361529303 188243872 /nfs/dbraw/zinc/24/38/72/188243872.db2.gz DNBWJHJAFFKENV-CYBMUJFWSA-N 2 1 228.355 2.010 20 0 BEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCF)C1 ZINC000361529303 188243873 /nfs/dbraw/zinc/24/38/73/188243873.db2.gz DNBWJHJAFFKENV-CYBMUJFWSA-N 2 1 228.355 2.010 20 0 BEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCF)C1 ZINC000361529303 188243875 /nfs/dbraw/zinc/24/38/75/188243875.db2.gz DNBWJHJAFFKENV-CYBMUJFWSA-N 2 1 228.355 2.010 20 0 BEADMP CCCCOCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000362184822 188244692 /nfs/dbraw/zinc/24/46/92/188244692.db2.gz JOVWSNCNMZCIIH-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP CCCCOCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000362184822 188244694 /nfs/dbraw/zinc/24/46/94/188244694.db2.gz JOVWSNCNMZCIIH-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP CCCCOCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000362184822 188244695 /nfs/dbraw/zinc/24/46/95/188244695.db2.gz JOVWSNCNMZCIIH-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP CCCCOCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000362184822 188244697 /nfs/dbraw/zinc/24/46/97/188244697.db2.gz JOVWSNCNMZCIIH-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP CCCCOCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000362184824 188245358 /nfs/dbraw/zinc/24/53/58/188245358.db2.gz JOVWSNCNMZCIIH-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP CCCCOCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000362184824 188245360 /nfs/dbraw/zinc/24/53/60/188245360.db2.gz JOVWSNCNMZCIIH-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP CCCCOCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000362184824 188245362 /nfs/dbraw/zinc/24/53/62/188245362.db2.gz JOVWSNCNMZCIIH-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP CCCCOCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000362184824 188245364 /nfs/dbraw/zinc/24/53/64/188245364.db2.gz JOVWSNCNMZCIIH-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000304514167 188250136 /nfs/dbraw/zinc/25/01/36/188250136.db2.gz DSHXKISDGOSVPJ-UONOGXRCSA-N 2 1 224.392 2.354 20 0 BEADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000304514163 188250582 /nfs/dbraw/zinc/25/05/82/188250582.db2.gz DSHXKISDGOSVPJ-KGLIPLIRSA-N 2 1 224.392 2.354 20 0 BEADMP Cc1ncc(C[NH2+]CC(C)(C)C[NH+](C)C)s1 ZINC000037505239 188287220 /nfs/dbraw/zinc/28/72/20/188287220.db2.gz LNIULGASBYZUME-UHFFFAOYSA-N 2 1 241.404 2.129 20 0 BEADMP C[C@H](c1ccccn1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252862407 353312149 /nfs/dbraw/zinc/31/21/49/353312149.db2.gz NZZGOCAJVWEUFJ-ZOBORPQBSA-N 2 1 245.370 2.202 20 0 BEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000086252923 188318378 /nfs/dbraw/zinc/31/83/78/188318378.db2.gz CYDBNXSONJUZMV-AWEZNQCLSA-N 2 1 235.375 2.225 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CC(C)C ZINC000049330062 188326989 /nfs/dbraw/zinc/32/69/89/188326989.db2.gz ACYOTVGASBHPLE-NSHDSACASA-N 2 1 209.337 2.216 20 0 BEADMP C1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000106868880 188337351 /nfs/dbraw/zinc/33/73/51/188337351.db2.gz ZTUBPWUGZCJWMQ-CHWSQXEVSA-N 2 1 208.349 2.145 20 0 BEADMP CC1(C)C[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000335566918 188339013 /nfs/dbraw/zinc/33/90/13/188339013.db2.gz MTPGQVJCZDGLHA-GFCCVEGCSA-N 2 1 208.349 2.001 20 0 BEADMP CC[N@@H+]1CCC[C@@H](CNc2cc(C)[nH+]c(C)n2)C1 ZINC000132039184 353374801 /nfs/dbraw/zinc/37/48/01/353374801.db2.gz HUQNEANPRLXOAB-ZDUSSCGKSA-N 2 1 248.374 2.237 20 0 BEADMP CC[N@H+]1CCC[C@@H](CNc2cc(C)[nH+]c(C)n2)C1 ZINC000132039184 353374803 /nfs/dbraw/zinc/37/48/03/353374803.db2.gz HUQNEANPRLXOAB-ZDUSSCGKSA-N 2 1 248.374 2.237 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000336773922 353420555 /nfs/dbraw/zinc/42/05/55/353420555.db2.gz WLNLAMAGYRFKIQ-QWHCGFSZSA-N 2 1 242.432 2.061 20 0 BEADMP C([NH2+][C@@H]1CCC12CCC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000337399690 188362524 /nfs/dbraw/zinc/36/25/24/188362524.db2.gz PEZLIFTZOIISPA-GXTWGEPZSA-N 2 1 234.387 2.393 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccncc1F ZINC000338375366 188366087 /nfs/dbraw/zinc/36/60/87/188366087.db2.gz ZTXHIBHMAUJQIK-JTQLQIEISA-N 2 1 248.305 2.076 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)CC1(C)CCC1 ZINC000349372468 538117086 /nfs/dbraw/zinc/11/70/86/538117086.db2.gz UXMOXBAUUUZMNW-UHFFFAOYSA-N 2 1 212.381 2.450 20 0 BEADMP C1C[NH2+]C[C@@H]([NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000043326493 188396878 /nfs/dbraw/zinc/39/68/78/188396878.db2.gz JISHDCGEGUZBPX-BPHCLYMKSA-N 2 1 234.387 2.153 20 0 BEADMP CC(C)[C@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCS1 ZINC000261729281 535237148 /nfs/dbraw/zinc/23/71/48/535237148.db2.gz GZBJBWCMIQPTKL-OLZOCXBDSA-N 2 1 242.432 2.059 20 0 BEADMP CCc1nc(NCC[NH+](CC)CC)cc(C)[nH+]1 ZINC000285591639 353537099 /nfs/dbraw/zinc/53/70/99/353537099.db2.gz LESLQDXYFCNGRQ-UHFFFAOYSA-N 2 1 236.363 2.101 20 0 BEADMP CC(C)(C)C[N@H+](CCN)Cc1ccccc1 ZINC000231360840 353591720 /nfs/dbraw/zinc/59/17/20/353591720.db2.gz OZTFHIZHOMFCTF-UHFFFAOYSA-N 2 1 220.360 2.493 20 0 BEADMP CC(C)(C)C[N@@H+](CCN)Cc1ccccc1 ZINC000231360840 353591721 /nfs/dbraw/zinc/59/17/21/353591721.db2.gz OZTFHIZHOMFCTF-UHFFFAOYSA-N 2 1 220.360 2.493 20 0 BEADMP CC[N@H+](Cc1ccccn1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000233528821 353826958 /nfs/dbraw/zinc/82/69/58/353826958.db2.gz BTXUGWRIYUOHEO-KBPBESRZSA-N 2 1 247.386 2.292 20 0 BEADMP Cc1ccc(F)c(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000220340696 353830790 /nfs/dbraw/zinc/83/07/90/353830790.db2.gz MYNLWWMGHNEGSJ-VXGBXAGGSA-N 2 1 236.334 2.303 20 0 BEADMP C[C@@H](c1ccncc1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000220425171 353836361 /nfs/dbraw/zinc/83/63/61/353836361.db2.gz LUNNIFRTPGFKIL-QWHCGFSZSA-N 2 1 233.359 2.074 20 0 BEADMP C[C@@H](c1ccncc1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000220425171 353836363 /nfs/dbraw/zinc/83/63/63/353836363.db2.gz LUNNIFRTPGFKIL-QWHCGFSZSA-N 2 1 233.359 2.074 20 0 BEADMP CC[C@H](C)C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000343437973 353887043 /nfs/dbraw/zinc/88/70/43/353887043.db2.gz BJGDXJGFQCZVHY-XQQFMLRXSA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@H](C)C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000343437973 353887046 /nfs/dbraw/zinc/88/70/46/353887046.db2.gz BJGDXJGFQCZVHY-XQQFMLRXSA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@H](C)C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000343437973 353887049 /nfs/dbraw/zinc/88/70/49/353887049.db2.gz BJGDXJGFQCZVHY-XQQFMLRXSA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@H](C)C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000343437973 353887052 /nfs/dbraw/zinc/88/70/52/353887052.db2.gz BJGDXJGFQCZVHY-XQQFMLRXSA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@@](C)(C[N@@H+](C)CCC[NH+]1CCCC1)OC ZINC000639132918 353842270 /nfs/dbraw/zinc/84/22/70/353842270.db2.gz VEWCENCYQLPKLH-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000343921885 354043205 /nfs/dbraw/zinc/04/32/05/354043205.db2.gz FJISVXVKFYOBQT-IHRRRGAJSA-N 2 1 242.407 2.121 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000343921885 354043207 /nfs/dbraw/zinc/04/32/07/354043207.db2.gz FJISVXVKFYOBQT-IHRRRGAJSA-N 2 1 242.407 2.121 20 0 BEADMP Cn1cncc1CC[N@H+]1CCCCC(C)(C)C1 ZINC000334565156 354084885 /nfs/dbraw/zinc/08/48/85/354084885.db2.gz USSYXTPMNIIKHJ-UHFFFAOYSA-N 2 1 235.375 2.475 20 0 BEADMP C[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+](C)CC2)C1 ZINC000230412773 363309762 /nfs/dbraw/zinc/30/97/62/363309762.db2.gz LSBVDMYJUCEHTF-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP C[NH+](C)CCC[N@@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000639167192 354048435 /nfs/dbraw/zinc/04/84/35/354048435.db2.gz BNISTLICHCKKLE-HZSPNIEDSA-N 2 1 224.392 2.306 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCCOCC1 ZINC000343985892 354060769 /nfs/dbraw/zinc/06/07/69/354060769.db2.gz MRVGRZSUGRSVHZ-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCCOCC1 ZINC000343985892 354060772 /nfs/dbraw/zinc/06/07/72/354060772.db2.gz MRVGRZSUGRSVHZ-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639170027 354096938 /nfs/dbraw/zinc/09/69/38/354096938.db2.gz OGBFBLISKRDBMK-XQLPTFJDSA-N 2 1 236.403 2.352 20 0 BEADMP C[C@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000230665691 363318583 /nfs/dbraw/zinc/31/85/83/363318583.db2.gz PVASBNATTFWUEZ-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CC(F)(F)C1 ZINC000529542297 324332852 /nfs/dbraw/zinc/33/28/52/324332852.db2.gz IZTROQRQOWABBF-SCVCMEIPSA-N 2 1 246.345 2.493 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CC(F)(F)C1 ZINC000529542297 324332858 /nfs/dbraw/zinc/33/28/58/324332858.db2.gz IZTROQRQOWABBF-SCVCMEIPSA-N 2 1 246.345 2.493 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)[C@@H](C)C1 ZINC000449742831 202018993 /nfs/dbraw/zinc/01/89/93/202018993.db2.gz RMVGRGVCRSRSRX-MXAVVETBSA-N 2 1 236.403 2.352 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639176717 354201929 /nfs/dbraw/zinc/20/19/29/354201929.db2.gz ZZNVPYDDVGUIDL-BTTYYORXSA-N 2 1 224.392 2.306 20 0 BEADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639178514 354254315 /nfs/dbraw/zinc/25/43/15/354254315.db2.gz LJIOFKFQHNVKFY-IBEHDNSVSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639178514 354254316 /nfs/dbraw/zinc/25/43/16/354254316.db2.gz LJIOFKFQHNVKFY-IBEHDNSVSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639178514 354254320 /nfs/dbraw/zinc/25/43/20/354254320.db2.gz LJIOFKFQHNVKFY-IBEHDNSVSA-N 2 1 248.414 2.449 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+]CCC[C@H]1CCO1 ZINC000639190612 354432204 /nfs/dbraw/zinc/43/22/04/354432204.db2.gz XEGLRGLAOKUJEL-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]CCC[C@H]1CCO1 ZINC000639190612 354432206 /nfs/dbraw/zinc/43/22/06/354432206.db2.gz XEGLRGLAOKUJEL-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]CCC[C@@H]1CCO1 ZINC000639190616 354433119 /nfs/dbraw/zinc/43/31/19/354433119.db2.gz XEGLRGLAOKUJEL-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CCC[C@@H]1CCO1 ZINC000639190616 354433124 /nfs/dbraw/zinc/43/31/24/354433124.db2.gz XEGLRGLAOKUJEL-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@H]1C[C@@H](Nc2cc3c(c[nH+]2)CCC3)CC[N@@H+]1C ZINC000639211383 354752012 /nfs/dbraw/zinc/75/20/12/354752012.db2.gz UBERYVMGQJYFFI-FZMZJTMJSA-N 2 1 245.370 2.465 20 0 BEADMP C[C@H]1C[C@@H](Nc2cc3c(c[nH+]2)CCC3)CC[N@H+]1C ZINC000639211383 354752015 /nfs/dbraw/zinc/75/20/15/354752015.db2.gz UBERYVMGQJYFFI-FZMZJTMJSA-N 2 1 245.370 2.465 20 0 BEADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+]C1CCCC1 ZINC000232876433 363387490 /nfs/dbraw/zinc/38/74/90/363387490.db2.gz RMVBBGMJKONWEV-GFCCVEGCSA-N 2 1 210.365 2.297 20 0 BEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCC(C)(C)C1 ZINC000346496950 354960433 /nfs/dbraw/zinc/96/04/33/354960433.db2.gz WPOVHCPTVAJCDJ-ZDUSSCGKSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000346677414 355010035 /nfs/dbraw/zinc/01/00/35/355010035.db2.gz ZOZYETMQQUEDHN-HIFRSBDPSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@H]([NH3+])C1 ZINC000346677414 355010038 /nfs/dbraw/zinc/01/00/38/355010038.db2.gz ZOZYETMQQUEDHN-HIFRSBDPSA-N 2 1 232.371 2.288 20 0 BEADMP CC[C@@H]1C[C@H](C[N@@H+](C)CC(C)(C)C[NH3+])CCO1 ZINC000346679941 355011020 /nfs/dbraw/zinc/01/10/20/355011020.db2.gz MKZUBORYWRXTRF-CHWSQXEVSA-N 2 1 242.407 2.108 20 0 BEADMP CC[C@@H]1C[C@@H](C[N@@H+](C)CC(C)(C)C[NH3+])CCO1 ZINC000346679947 355011026 /nfs/dbraw/zinc/01/10/26/355011026.db2.gz MKZUBORYWRXTRF-QWHCGFSZSA-N 2 1 242.407 2.108 20 0 BEADMP COc1ccsc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000346689148 355013816 /nfs/dbraw/zinc/01/38/16/355013816.db2.gz ZCCHSJTYWSKNDF-UHFFFAOYSA-N 2 1 242.388 2.173 20 0 BEADMP COc1ccsc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000346689148 355013819 /nfs/dbraw/zinc/01/38/19/355013819.db2.gz ZCCHSJTYWSKNDF-UHFFFAOYSA-N 2 1 242.388 2.173 20 0 BEADMP C[C@H]([NH3+])C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000335229453 355071848 /nfs/dbraw/zinc/07/18/48/355071848.db2.gz FGOHWTAKSAVABB-JQWIXIFHSA-N 2 1 238.762 2.477 20 0 BEADMP C[C@@H]1C[C@H](C)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346972749 355208346 /nfs/dbraw/zinc/20/83/46/355208346.db2.gz HXPYBTDNWFWDFX-MCIONIFRSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1CCC[C@@H](C)[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346965934 355173086 /nfs/dbraw/zinc/17/30/86/355173086.db2.gz CELFRZSTANHTBY-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@@H]2CCCC[C@H]21 ZINC000347000581 355198139 /nfs/dbraw/zinc/19/81/39/355198139.db2.gz GMIODMFGYKLEMG-VHDGCEQUSA-N 2 1 236.403 2.497 20 0 BEADMP CC1(C)CCC[N@@H+]1CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639242455 355228892 /nfs/dbraw/zinc/22/88/92/355228892.db2.gz OXJVKJLCOBREKS-BTTYYORXSA-N 2 1 236.403 2.497 20 0 BEADMP CC1(C)CCC[N@H+]1CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639242455 355228896 /nfs/dbraw/zinc/22/88/96/355228896.db2.gz OXJVKJLCOBREKS-BTTYYORXSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@@H](C[N@@H+](C)C1CC[NH+](C(C)C)CC1)OC ZINC000412975211 191346674 /nfs/dbraw/zinc/34/66/74/191346674.db2.gz DSMZKLCHUDYZAO-AWEZNQCLSA-N 2 1 242.407 2.216 20 0 BEADMP CC[C@H](C[N@@H+](C)C1CC[NH+](C(C)C)CC1)OC ZINC000412975212 191346791 /nfs/dbraw/zinc/34/67/91/191346791.db2.gz DSMZKLCHUDYZAO-CQSZACIVSA-N 2 1 242.407 2.216 20 0 BEADMP C[NH2+][C@@H]1CCN(c2cc[nH+]c3ccsc32)C1 ZINC000335287377 355255978 /nfs/dbraw/zinc/25/59/78/355255978.db2.gz FFFDOLDRHLDRKA-SECBINFHSA-N 2 1 233.340 2.094 20 0 BEADMP CCc1cc(NCCCC[N@@H+](C)C2CC2)cc[nH+]1 ZINC000413350934 191374181 /nfs/dbraw/zinc/37/41/81/191374181.db2.gz YOEGLJBDXBQPTC-UHFFFAOYSA-N 2 1 247.386 2.352 20 0 BEADMP CC[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1C)[NH+]1CCCC1 ZINC000414059794 191422193 /nfs/dbraw/zinc/42/21/93/191422193.db2.gz IUGAICCSYWAYAH-AAVRWANBSA-N 2 1 224.392 2.495 20 0 BEADMP C[N@@H+]1C[C@@H]2C[NH+](CCC3CCCCC3)C[C@@H]2C1 ZINC000335789388 355440759 /nfs/dbraw/zinc/44/07/59/355440759.db2.gz XNSCOKMBWXPISE-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](CCC3CCCCC3)C[C@@H]2C1 ZINC000335789388 355440764 /nfs/dbraw/zinc/44/07/64/355440764.db2.gz XNSCOKMBWXPISE-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+](CCC3CCCCC3)C[C@@H]2C1 ZINC000335789388 355440768 /nfs/dbraw/zinc/44/07/68/355440768.db2.gz XNSCOKMBWXPISE-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])C2CC2)C[C@@H]1C ZINC000414804530 191574543 /nfs/dbraw/zinc/57/45/43/191574543.db2.gz KSRQPXHJNPIIAB-RSLMWUCJSA-N 2 1 210.365 2.138 20 0 BEADMP COc1ccccc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414859285 191603060 /nfs/dbraw/zinc/60/30/60/191603060.db2.gz UBPWWDVNUGJPSS-STQMWFEESA-N 2 1 248.370 2.173 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000414936193 191627171 /nfs/dbraw/zinc/62/71/71/191627171.db2.gz BSKIVZFFNOAIPO-CFVMTHIKSA-N 2 1 232.371 2.335 20 0 BEADMP CCOc1ccccc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414966960 191634845 /nfs/dbraw/zinc/63/48/45/191634845.db2.gz XCCPGDKXWOUVCW-OCCSQVGLSA-N 2 1 248.370 2.173 20 0 BEADMP CC(C)[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCS1 ZINC000335837719 355566641 /nfs/dbraw/zinc/56/66/41/355566641.db2.gz NYCBVLMCRPBMAQ-CHWSQXEVSA-N 2 1 242.432 2.059 20 0 BEADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccc1F ZINC000215959925 355620200 /nfs/dbraw/zinc/62/02/00/355620200.db2.gz VVVJAAIQBYLOBH-AAEUAGOBSA-N 2 1 236.334 2.303 20 0 BEADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCC[C@H]1CCO1 ZINC000639328125 355734129 /nfs/dbraw/zinc/73/41/29/355734129.db2.gz VIZCCAQBUNOJPB-ZDUSSCGKSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCC[C@H]1CCO1 ZINC000639328125 355734131 /nfs/dbraw/zinc/73/41/31/355734131.db2.gz VIZCCAQBUNOJPB-ZDUSSCGKSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCCOC ZINC000353986614 355748026 /nfs/dbraw/zinc/74/80/26/355748026.db2.gz JZTGXDZHBUIQAE-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCCOC ZINC000353986614 355748027 /nfs/dbraw/zinc/74/80/27/355748027.db2.gz JZTGXDZHBUIQAE-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP Cc1cccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1C ZINC000216010477 355795917 /nfs/dbraw/zinc/79/59/17/355795917.db2.gz USOJHFQEAMHYFS-GXTWGEPZSA-N 2 1 232.371 2.473 20 0 BEADMP C[C@H](C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000216056242 355804512 /nfs/dbraw/zinc/80/45/12/355804512.db2.gz VKIQLAPYQKBGDH-HZSPNIEDSA-N 2 1 232.371 2.459 20 0 BEADMP Cc1cc(C)cc(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000536598865 355843359 /nfs/dbraw/zinc/84/33/59/355843359.db2.gz CXCWJRHLGZKAOD-UHFFFAOYSA-N 2 1 232.371 2.489 20 0 BEADMP C[C@@H]1c2ccccc2CC[N@H+]1CC(C)(C)[NH3+] ZINC000336055865 134066345 /nfs/dbraw/zinc/06/63/45/134066345.db2.gz SPIKNQSFPZUOSK-LLVKDONJSA-N 2 1 218.344 2.343 20 0 BEADMP C[C@@H]1c2ccccc2CC[N@@H+]1CC(C)(C)[NH3+] ZINC000336055865 134066346 /nfs/dbraw/zinc/06/63/46/134066346.db2.gz SPIKNQSFPZUOSK-LLVKDONJSA-N 2 1 218.344 2.343 20 0 BEADMP Cc1ccc(CC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000351495960 356002742 /nfs/dbraw/zinc/00/27/42/356002742.db2.gz QISUVHKFVRAMGI-XHSDSOJGSA-N 2 1 244.382 2.207 20 0 BEADMP C[C@H](F)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000351882137 356119873 /nfs/dbraw/zinc/11/98/73/356119873.db2.gz PAWWWSODHUGBPX-YNEHKIRRSA-N 2 1 228.355 2.151 20 0 BEADMP C[C@H](F)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000351882137 356119877 /nfs/dbraw/zinc/11/98/77/356119877.db2.gz PAWWWSODHUGBPX-YNEHKIRRSA-N 2 1 228.355 2.151 20 0 BEADMP C[C@H](F)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000351882137 356119880 /nfs/dbraw/zinc/11/98/80/356119880.db2.gz PAWWWSODHUGBPX-YNEHKIRRSA-N 2 1 228.355 2.151 20 0 BEADMP CC[NH+](CC)CCCNc1[nH]c2ccccc2[nH+]1 ZINC000006005829 356190704 /nfs/dbraw/zinc/19/07/04/356190704.db2.gz CGNYOHLJXUUNOM-UHFFFAOYSA-N 2 1 246.358 2.129 20 0 aggregator BEADMP CC[N@@H+](CCOCC(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000420319552 192195115 /nfs/dbraw/zinc/19/51/15/192195115.db2.gz XRXUTRAEALSINY-CQSZACIVSA-N 2 1 242.407 2.123 20 0 BEADMP CCc1cccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000420298744 192204177 /nfs/dbraw/zinc/20/41/77/192204177.db2.gz SMZFYNVKNNNXND-AWEZNQCLSA-N 2 1 218.344 2.030 20 0 BEADMP CCCC[N@@H+](CCOC)CC[C@@H]1CCC[NH2+]C1 ZINC000420298175 192204705 /nfs/dbraw/zinc/20/47/05/192204705.db2.gz GYDTYAUQUFRVCB-AWEZNQCLSA-N 2 1 242.407 2.125 20 0 BEADMP C[C@@H]1C[N@@H+](CCCc2ccsc2)CC[C@@H]1[NH3+] ZINC000420296022 192205803 /nfs/dbraw/zinc/20/58/03/192205803.db2.gz WLBHZYFXJWROCO-YPMHNXCESA-N 2 1 238.400 2.350 20 0 BEADMP CCc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000420313980 192213376 /nfs/dbraw/zinc/21/33/76/192213376.db2.gz KODAWDBFNKVBBB-JKSUJKDBSA-N 2 1 244.382 2.433 20 0 BEADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)C1CC([NH3+])C1 ZINC000420331888 192213851 /nfs/dbraw/zinc/21/38/51/192213851.db2.gz MSHPCCSPRHOZGO-BLYZHGLHSA-N 2 1 240.391 2.003 20 0 BEADMP CCC(C)(C)CC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420347003 192216967 /nfs/dbraw/zinc/21/69/67/192216967.db2.gz ZSUFHPSMRPOFCM-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CCC(C)(C)CC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420347003 192216971 /nfs/dbraw/zinc/21/69/71/192216971.db2.gz ZSUFHPSMRPOFCM-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cnc([C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)o1 ZINC000420305102 192209737 /nfs/dbraw/zinc/20/97/37/192209737.db2.gz JSTHXOIRTCNVIT-CYDGBPFRSA-N 2 1 249.358 2.103 20 0 BEADMP Cc1cnc([C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)o1 ZINC000420305102 192209739 /nfs/dbraw/zinc/20/97/39/192209739.db2.gz JSTHXOIRTCNVIT-CYDGBPFRSA-N 2 1 249.358 2.103 20 0 BEADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000420312761 192210024 /nfs/dbraw/zinc/21/00/24/192210024.db2.gz XDWIVPOZKGOBIQ-ZFWWWQNUSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000420312761 192210026 /nfs/dbraw/zinc/21/00/26/192210026.db2.gz XDWIVPOZKGOBIQ-ZFWWWQNUSA-N 2 1 232.371 2.288 20 0 BEADMP CC(C)[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CCC1 ZINC000420310444 192210566 /nfs/dbraw/zinc/21/05/66/192210566.db2.gz UYYYLTWSVSWCMS-LBPRGKRZSA-N 2 1 210.365 2.249 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000420355337 192218897 /nfs/dbraw/zinc/21/88/97/192218897.db2.gz FHRCLQPXIFXNBH-HNNXBMFYSA-N 2 1 247.386 2.172 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(C)n1 ZINC000420314245 192212208 /nfs/dbraw/zinc/21/22/08/192212208.db2.gz QKPFAOIPDDRRJR-CQSZACIVSA-N 2 1 247.386 2.259 20 0 BEADMP C[N@@H+](CCCC1CCCC1)C1CC([NH3+])C1 ZINC000420323982 192227870 /nfs/dbraw/zinc/22/78/70/192227870.db2.gz BVONTCIPPKGKHR-UHFFFAOYSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCCC(F)(F)F ZINC000420326099 192228812 /nfs/dbraw/zinc/22/88/12/192228812.db2.gz XAWZREKVUNHOHL-ZJUUUORDSA-N 2 1 238.297 2.388 20 0 BEADMP Cc1cc([C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)on1 ZINC000420326823 192228875 /nfs/dbraw/zinc/22/88/75/192228875.db2.gz XVHBZAZAYFFEOZ-QWHCGFSZSA-N 2 1 249.358 2.120 20 0 BEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCOc1ccccc1 ZINC000420372508 192229227 /nfs/dbraw/zinc/22/92/27/192229227.db2.gz XZRQGHYZBDUANE-ZDUSSCGKSA-N 2 1 236.359 2.028 20 0 BEADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000639532157 356381684 /nfs/dbraw/zinc/38/16/84/356381684.db2.gz BIMFKAYCJCBTOX-AVGNSLFASA-N 2 1 249.358 2.014 20 0 BEADMP Cc1ccc([C@@]2(C)CC[N@@H+](C[C@H](C)[NH3+])C2)cc1 ZINC000420357485 192219318 /nfs/dbraw/zinc/21/93/18/192219318.db2.gz HYDPUFQKESKLMN-ZFWWWQNUSA-N 2 1 232.371 2.306 20 0 BEADMP Cc1ccc([C@@]2(C)CC[N@H+](C[C@H](C)[NH3+])C2)cc1 ZINC000420357485 192219320 /nfs/dbraw/zinc/21/93/20/192219320.db2.gz HYDPUFQKESKLMN-ZFWWWQNUSA-N 2 1 232.371 2.306 20 0 BEADMP CC(C)CCOCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420360471 192221451 /nfs/dbraw/zinc/22/14/51/192221451.db2.gz HEIGGFAOUULTOF-MGPQQGTHSA-N 2 1 242.407 2.025 20 0 BEADMP CCC(C)(C)[C@@H]1CCC[N@H+]1CCC[NH2+]C ZINC000420363130 192223215 /nfs/dbraw/zinc/22/32/15/192223215.db2.gz BEVLNIVDFSKRQH-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP C[NH2+]CCC[N@@H+]1CCc2c(C)cc(C)cc2C1 ZINC000420368801 192225181 /nfs/dbraw/zinc/22/51/81/192225181.db2.gz IJUAIUJVPJPCRA-UHFFFAOYSA-N 2 1 232.371 2.271 20 0 BEADMP C[NH2+]CCC[N@H+]1CCc2c(C)cc(C)cc2C1 ZINC000420368801 192225182 /nfs/dbraw/zinc/22/51/82/192225182.db2.gz IJUAIUJVPJPCRA-UHFFFAOYSA-N 2 1 232.371 2.271 20 0 BEADMP [NH3+]CC[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000420392460 192237028 /nfs/dbraw/zinc/23/70/28/192237028.db2.gz BNFBQJFAKYRQQM-GJZGRUSLSA-N 2 1 232.371 2.336 20 0 BEADMP CC[C@@H](C)[N@H+]1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000420392618 192237581 /nfs/dbraw/zinc/23/75/81/192237581.db2.gz WDESQPRNOYGZEE-SCDSUCTJSA-N 2 1 236.334 2.351 20 0 BEADMP Cc1cccc([C@H](C)[NH2+]C[C@H](C)[NH3+])c1C ZINC000420410900 192239395 /nfs/dbraw/zinc/23/93/95/192239395.db2.gz RMTHAXRCDBYXAF-JQWIXIFHSA-N 2 1 206.333 2.301 20 0 BEADMP Cc1cccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])c1C ZINC000420410904 192239694 /nfs/dbraw/zinc/23/96/94/192239694.db2.gz RMTHAXRCDBYXAF-PWSUYJOCSA-N 2 1 206.333 2.301 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CCO1 ZINC000449784182 202034441 /nfs/dbraw/zinc/03/44/41/202034441.db2.gz VSDLGHBFFXILKS-STQMWFEESA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)CCO1 ZINC000449784182 202034442 /nfs/dbraw/zinc/03/44/42/202034442.db2.gz VSDLGHBFFXILKS-STQMWFEESA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]([NH2+]CCCc1ccccn1)[C@H]1CCCC[NH2+]1 ZINC000423000955 192524498 /nfs/dbraw/zinc/52/44/98/192524498.db2.gz WJOQEWUNPAWVCY-DZGCQCFKSA-N 2 1 247.386 2.134 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639685931 356601680 /nfs/dbraw/zinc/60/16/80/356601680.db2.gz ZEQBKHTXIBPSGD-KGLIPLIRSA-N 2 1 245.370 2.250 20 0 BEADMP CC[C@H](CC(F)(F)F)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423042234 192549884 /nfs/dbraw/zinc/54/98/84/192549884.db2.gz YTGLDEJHWUOTKF-BBBLOLIVSA-N 2 1 238.297 2.448 20 0 BEADMP CCCC[N@@H+](C)CCNc1cc[nH+]c(CC)c1 ZINC000450333018 202128635 /nfs/dbraw/zinc/12/86/35/202128635.db2.gz WBPDELGQFIEXOT-UHFFFAOYSA-N 2 1 235.375 2.210 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757068 356664064 /nfs/dbraw/zinc/66/40/64/356664064.db2.gz FANOKISXSYABJS-OLZOCXBDSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+]1CCC2(CC[N@@H+](CCCCF)C2)CC1 ZINC000639755780 356659023 /nfs/dbraw/zinc/65/90/23/356659023.db2.gz MUIGGFBNTIDSJE-UHFFFAOYSA-N 2 1 228.355 2.154 20 0 BEADMP CC(C)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758025 356667228 /nfs/dbraw/zinc/66/72/28/356667228.db2.gz OMOZDCLFCPHWHZ-UHFFFAOYSA-N 2 1 210.365 2.060 20 0 BEADMP CCc1cc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc[nH+]1 ZINC000450373551 202144724 /nfs/dbraw/zinc/14/47/24/202144724.db2.gz CSHDLHDSVVURMK-FZMZJTMJSA-N 2 1 245.370 2.103 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000450408139 202156230 /nfs/dbraw/zinc/15/62/30/202156230.db2.gz VFBVJJBRAKYHHP-NEPJUHHUSA-N 2 1 246.345 2.305 20 0 BEADMP CCC[NH+](C)[C@@H](C)CC[N@H+](C)CCC ZINC000153331453 538568487 /nfs/dbraw/zinc/56/84/87/538568487.db2.gz CLEUYPOQRBDAEB-LBPRGKRZSA-N 2 1 200.370 2.449 20 0 BEADMP CCC[NH+](C)CC[C@H](C)[N@H+](C)CCC ZINC000153331453 538568495 /nfs/dbraw/zinc/56/84/95/538568495.db2.gz CLEUYPOQRBDAEB-LBPRGKRZSA-N 2 1 200.370 2.449 20 0 BEADMP CCC[NH+](C)CC[C@H](C)[N@@H+](C)CCC ZINC000153331453 538568503 /nfs/dbraw/zinc/56/85/03/538568503.db2.gz CLEUYPOQRBDAEB-LBPRGKRZSA-N 2 1 200.370 2.449 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623341413 356741978 /nfs/dbraw/zinc/74/19/78/356741978.db2.gz AVRJWNSLIMUOCG-ZYHUDNBSSA-N 2 1 210.365 2.247 20 0 BEADMP Cc1cc(C[NH2+]CC(C)(C)C[NH+](C)C)ccn1 ZINC000623335740 356720517 /nfs/dbraw/zinc/72/05/17/356720517.db2.gz BNTWDVZXWRJPAD-UHFFFAOYSA-N 2 1 235.375 2.067 20 0 BEADMP CC(C)OCCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623338225 356732836 /nfs/dbraw/zinc/73/28/36/356732836.db2.gz QNRWQNFOCNROSI-ZDUSSCGKSA-N 2 1 242.407 2.264 20 0 BEADMP CC[NH+]1CCC([N@H+](C)CC2CC(F)(F)C2)CC1 ZINC000450464607 202173648 /nfs/dbraw/zinc/17/36/48/202173648.db2.gz AHNOPHYYXKHTRZ-UHFFFAOYSA-N 2 1 246.345 2.448 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)CC2CC(F)(F)C2)CC1 ZINC000450464607 202173652 /nfs/dbraw/zinc/17/36/52/202173652.db2.gz AHNOPHYYXKHTRZ-UHFFFAOYSA-N 2 1 246.345 2.448 20 0 BEADMP CCOCCCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623362609 356812559 /nfs/dbraw/zinc/81/25/59/356812559.db2.gz BCBAZDSTCIFUJC-CYBMUJFWSA-N 2 1 242.407 2.266 20 0 BEADMP CCc1cc(N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc[nH+]1 ZINC000450479462 202180187 /nfs/dbraw/zinc/18/01/87/202180187.db2.gz OIKIJCXSPODXET-OAHLLOKOSA-N 2 1 247.386 2.420 20 0 BEADMP COCCCCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623385283 356911272 /nfs/dbraw/zinc/91/12/72/356911272.db2.gz AJQFGDQIWKFENM-ZDUSSCGKSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000423190029 192617572 /nfs/dbraw/zinc/61/75/72/192617572.db2.gz NFDWZBKHGGITSA-VOAKCMCISA-N 2 1 210.365 2.153 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCO2)CC1(C)C ZINC000623377441 356896613 /nfs/dbraw/zinc/89/66/13/356896613.db2.gz ZAARRMJNQDBTMJ-STQMWFEESA-N 2 1 240.391 2.018 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261550460 535351046 /nfs/dbraw/zinc/35/10/46/535351046.db2.gz PLYFTMNKMOBEGE-NWDGAFQWSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H](CCC[NH3+])[NH2+]c1ccc2c(c1)CCN2 ZINC000423212925 192630393 /nfs/dbraw/zinc/63/03/93/192630393.db2.gz JFJFGLFBDMDKFR-JTQLQIEISA-N 2 1 219.332 2.194 20 0 BEADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cncs1 ZINC000423216167 192630667 /nfs/dbraw/zinc/63/06/67/192630667.db2.gz NZVOJBSXWIWFAA-DCAQKATOSA-N 2 1 239.388 2.182 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C2CCSCC2)CC1(C)C ZINC000623404903 357140219 /nfs/dbraw/zinc/14/02/19/357140219.db2.gz PRUYWRNYGDFPPR-LBPRGKRZSA-N 2 1 242.432 2.344 20 0 BEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(O)cc2)C1 ZINC000628425750 357253450 /nfs/dbraw/zinc/25/34/50/357253450.db2.gz UKPSBFRIJFSKGT-AWEZNQCLSA-N 2 1 248.370 2.214 20 0 BEADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000628425915 357254556 /nfs/dbraw/zinc/25/45/56/357254556.db2.gz ZCZQTAQWMOVJPQ-AGIUHOORSA-N 2 1 242.432 2.059 20 0 BEADMP COc1cc([C@H](C)[NH2+]CC(C)(C)[NH3+])ccc1F ZINC000423281228 192673148 /nfs/dbraw/zinc/67/31/48/192673148.db2.gz AZKAOXCULBXESR-VIFPVBQESA-N 2 1 240.322 2.222 20 0 BEADMP CC1(C)CCC[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000582606258 357349297 /nfs/dbraw/zinc/34/92/97/357349297.db2.gz LSFGOOQRUQKHMI-MCIONIFRSA-N 2 1 236.403 2.354 20 0 BEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(F)c(F)cc1F ZINC000582845022 357414831 /nfs/dbraw/zinc/41/48/31/357414831.db2.gz ANVRWXGJMVPGSP-SFYZADRCSA-N 2 1 246.276 2.319 20 0 BEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(F)c(F)cc1F ZINC000582845020 357414899 /nfs/dbraw/zinc/41/48/99/357414899.db2.gz ANVRWXGJMVPGSP-HTQZYQBOSA-N 2 1 246.276 2.319 20 0 BEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(F)c(F)cc1F ZINC000582845023 357414978 /nfs/dbraw/zinc/41/49/78/357414978.db2.gz ANVRWXGJMVPGSP-YUMQZZPRSA-N 2 1 246.276 2.319 20 0 BEADMP Cc1cnccc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000395370588 357434507 /nfs/dbraw/zinc/43/45/07/357434507.db2.gz NEMXQKUTPCFWBQ-CQSZACIVSA-N 2 1 233.359 2.093 20 0 BEADMP Cc1cnccc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397487378 357515755 /nfs/dbraw/zinc/51/57/55/357515755.db2.gz WHIJTFVAPMHXQS-ZLDLUXBVSA-N 2 1 247.386 2.195 20 0 BEADMP CC(C)[NH2+]C1CC[NH+](C[C@H]2CC[C@@H](C)O2)CC1 ZINC000188545870 357560833 /nfs/dbraw/zinc/56/08/33/357560833.db2.gz QVORCHNMOLNRGF-TZMCWYRMSA-N 2 1 240.391 2.016 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CC2(C)C)CC1(C)C ZINC000623417043 357869134 /nfs/dbraw/zinc/86/91/34/357869134.db2.gz QKKMFYJFBRKAKS-NWDGAFQWSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000382678824 357923141 /nfs/dbraw/zinc/92/31/41/357923141.db2.gz HPRVDICNGHPYNR-SYFOGONKSA-N 2 1 230.355 2.369 20 0 BEADMP C(C[N@@H+](C1CC1)C1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000584520221 358030258 /nfs/dbraw/zinc/03/02/58/358030258.db2.gz KDMRYOKDEVQDLF-LBPRGKRZSA-N 2 1 222.376 2.393 20 0 BEADMP CCc1ccccc1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000168797571 134247700 /nfs/dbraw/zinc/24/77/00/134247700.db2.gz XCQYPHRGPNHRHN-CQSZACIVSA-N 2 1 218.344 2.172 20 0 BEADMP COc1cccc([C@@H](C)[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000217508845 134249107 /nfs/dbraw/zinc/24/91/07/134249107.db2.gz RRFGCTKXUIJSCM-OLZOCXBDSA-N 2 1 248.370 2.427 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000229060268 358344908 /nfs/dbraw/zinc/34/49/08/358344908.db2.gz DQBHNPPKCXVQBL-BXUZGUMPSA-N 2 1 236.334 2.446 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000229060268 358344912 /nfs/dbraw/zinc/34/49/12/358344912.db2.gz DQBHNPPKCXVQBL-BXUZGUMPSA-N 2 1 236.334 2.446 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000229060252 358345102 /nfs/dbraw/zinc/34/51/02/358345102.db2.gz DQBHNPPKCXVQBL-RISCZKNCSA-N 2 1 236.334 2.446 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000229060252 358345104 /nfs/dbraw/zinc/34/51/04/358345104.db2.gz DQBHNPPKCXVQBL-RISCZKNCSA-N 2 1 236.334 2.446 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC000044533300 358389870 /nfs/dbraw/zinc/38/98/70/358389870.db2.gz TWUMGMMGQQATDM-STQMWFEESA-N 2 1 212.381 2.352 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000044534328 358390151 /nfs/dbraw/zinc/39/01/51/358390151.db2.gz XXCWCGMKENUIFH-UONOGXRCSA-N 2 1 222.376 2.274 20 0 BEADMP C1CC1C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000130152874 358610639 /nfs/dbraw/zinc/61/06/39/358610639.db2.gz WPRNTUTZTOAJER-KGLIPLIRSA-N 2 1 234.387 2.391 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC2CCC2)C1 ZINC000132427041 491136001 /nfs/dbraw/zinc/13/60/01/491136001.db2.gz CAFGXXFNXDRBOX-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H](C)C[N@H+](CC[NH3+])Cc1ccccc1 ZINC000050424237 358729805 /nfs/dbraw/zinc/72/98/05/358729805.db2.gz SWGFIDQNSYJNKN-ZDUSSCGKSA-N 2 1 220.360 2.493 20 0 BEADMP CC[C@H](C)C[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000050424237 358729809 /nfs/dbraw/zinc/72/98/09/358729809.db2.gz SWGFIDQNSYJNKN-ZDUSSCGKSA-N 2 1 220.360 2.493 20 0 BEADMP CCCC[C@@H](COC)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000133992467 358775028 /nfs/dbraw/zinc/77/50/28/358775028.db2.gz ABFZJAMJJCCBEU-MCIONIFRSA-N 2 1 242.407 2.264 20 0 BEADMP CCCC[C@@H](COC)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000133992467 358775032 /nfs/dbraw/zinc/77/50/32/358775032.db2.gz ABFZJAMJJCCBEU-MCIONIFRSA-N 2 1 242.407 2.264 20 0 BEADMP CCC[NH+]1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000134685455 358801469 /nfs/dbraw/zinc/80/14/69/358801469.db2.gz YACHYSCCEDKROH-GFCCVEGCSA-N 2 1 210.365 2.345 20 0 BEADMP CCC[NH+]1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000134685455 358801480 /nfs/dbraw/zinc/80/14/80/358801480.db2.gz YACHYSCCEDKROH-GFCCVEGCSA-N 2 1 210.365 2.345 20 0 BEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]CC2(F)CC2)C1 ZINC000309627890 358949373 /nfs/dbraw/zinc/94/93/73/358949373.db2.gz QODZWRHFGSSTEP-GFCCVEGCSA-N 2 1 228.355 2.199 20 0 BEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CC2(F)CC2)C1 ZINC000309627890 358949377 /nfs/dbraw/zinc/94/93/77/358949377.db2.gz QODZWRHFGSSTEP-GFCCVEGCSA-N 2 1 228.355 2.199 20 0 BEADMP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](CC)CC2)CCO1 ZINC000070359237 359051587 /nfs/dbraw/zinc/05/15/87/359051587.db2.gz PBACJDDANWKGQG-KGLIPLIRSA-N 2 1 240.391 2.018 20 0 BEADMP COCC[N@@H+](CCC[NH3+])[C@@H](C)c1ccccc1 ZINC000070376042 359051950 /nfs/dbraw/zinc/05/19/50/359051950.db2.gz UBCJUSKUCIBRCJ-ZDUSSCGKSA-N 2 1 236.359 2.045 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000070643343 359060528 /nfs/dbraw/zinc/06/05/28/359060528.db2.gz AQBRMURSNBXWDD-AGIUHOORSA-N 2 1 222.376 2.249 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCCOC)[C@@H](C)C1 ZINC000246940815 359175604 /nfs/dbraw/zinc/17/56/04/359175604.db2.gz HQKOAIOWVOXRMZ-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[Si](C)(C)C)CC[C@H]21 ZINC000247958284 359249492 /nfs/dbraw/zinc/24/94/92/359249492.db2.gz FWVDWNAGQWSCES-CHWSQXEVSA-N 2 1 240.467 2.280 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[Si](C)(C)C)CC[C@H]21 ZINC000247958284 359249494 /nfs/dbraw/zinc/24/94/94/359249494.db2.gz FWVDWNAGQWSCES-CHWSQXEVSA-N 2 1 240.467 2.280 20 0 BEADMP CCCC[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076002749 359255507 /nfs/dbraw/zinc/25/55/07/359255507.db2.gz CMHKRCKRTWIVDU-ZDUSSCGKSA-N 2 1 212.381 2.450 20 0 BEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(O)c2)[C@@H](C)C1 ZINC000247258296 359206262 /nfs/dbraw/zinc/20/62/62/359206262.db2.gz ZRMUKUDKAOYBNI-SWLSCSKDSA-N 2 1 248.370 2.212 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(O)c2)[C@@H](C)C1 ZINC000247258296 359206267 /nfs/dbraw/zinc/20/62/67/359206267.db2.gz ZRMUKUDKAOYBNI-SWLSCSKDSA-N 2 1 248.370 2.212 20 0 BEADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000623436964 359330278 /nfs/dbraw/zinc/33/02/78/359330278.db2.gz LSXRXXOVEQABHH-CHWSQXEVSA-N 2 1 242.407 2.120 20 0 BEADMP Cc1ccncc1[C@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423567833 192814674 /nfs/dbraw/zinc/81/46/74/192814674.db2.gz VANCPIUBVGYXPZ-LBPRGKRZSA-N 2 1 233.359 2.183 20 0 BEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000132913457 491142569 /nfs/dbraw/zinc/14/25/69/491142569.db2.gz PDOAAVCEEHRMJR-MDZLAQPJSA-N 2 1 210.365 2.105 20 0 BEADMP C[N@@H+](CCC[NH+]1CCCC1)CC1CC(F)(F)C1 ZINC000450913151 202309172 /nfs/dbraw/zinc/30/91/72/202309172.db2.gz YNBOXPZQBGZLQO-UHFFFAOYSA-N 2 1 246.345 2.449 20 0 BEADMP CCC1(CC)CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000087255323 359904472 /nfs/dbraw/zinc/90/44/72/359904472.db2.gz RHFJMOYJTULALP-CYBMUJFWSA-N 2 1 224.392 2.498 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H](C)CCCC(C)C ZINC000058851652 360365699 /nfs/dbraw/zinc/36/56/99/360365699.db2.gz RIMDVOXWRINAOC-LBPRGKRZSA-N 2 1 200.370 2.400 20 0 BEADMP CC1(C)CCC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000149299468 360615273 /nfs/dbraw/zinc/61/52/73/360615273.db2.gz ADNXMSXBNJLJIT-RYUDHWBXSA-N 2 1 210.365 2.297 20 0 BEADMP C([NH2+]C1CC2(CCC2)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000448062286 200697199 /nfs/dbraw/zinc/69/71/99/200697199.db2.gz APNDRGSUWXNBKW-GFCCVEGCSA-N 2 1 234.387 2.393 20 0 BEADMP CC(C)[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000414677458 200758254 /nfs/dbraw/zinc/75/82/54/200758254.db2.gz OVADFTHQSJGXPT-NWDGAFQWSA-N 2 1 210.365 2.247 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000309676685 491153947 /nfs/dbraw/zinc/15/39/47/491153947.db2.gz LZQRZICXZAOHLR-UBHSHLNASA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000309676685 491153948 /nfs/dbraw/zinc/15/39/48/491153948.db2.gz LZQRZICXZAOHLR-UBHSHLNASA-N 2 1 224.392 2.493 20 0 BEADMP CC[C@H](Cc1cccs1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629407760 361056973 /nfs/dbraw/zinc/05/69/73/361056973.db2.gz KCVLWVXPAPLBMI-DMDPSCGWSA-N 2 1 238.400 2.409 20 0 BEADMP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000629409253 361058338 /nfs/dbraw/zinc/05/83/38/361058338.db2.gz OOQVVOTXNPRZOG-MYPMTAMASA-N 2 1 230.355 2.130 20 0 BEADMP CCC[C@H](C)CCC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000629515995 361110230 /nfs/dbraw/zinc/11/02/30/361110230.db2.gz YUEYLDTZTDDQKC-MELADBBJSA-N 2 1 242.407 2.251 20 0 BEADMP CCC[C@H](C)CCC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000629515995 361110234 /nfs/dbraw/zinc/11/02/34/361110234.db2.gz YUEYLDTZTDDQKC-MELADBBJSA-N 2 1 242.407 2.251 20 0 BEADMP CCC[C@H](C)CCC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000629515993 361110415 /nfs/dbraw/zinc/11/04/15/361110415.db2.gz YUEYLDTZTDDQKC-BFHYXJOUSA-N 2 1 242.407 2.251 20 0 BEADMP CCC[C@H](C)CCC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000629515993 361110416 /nfs/dbraw/zinc/11/04/16/361110416.db2.gz YUEYLDTZTDDQKC-BFHYXJOUSA-N 2 1 242.407 2.251 20 0 BEADMP Cc1ccc(C[NH2+][C@@](C)(C[NH3+])C2CC2)cc1F ZINC000629514176 361111114 /nfs/dbraw/zinc/11/11/14/361111114.db2.gz JYCRNPMPCTULAE-AWEZNQCLSA-N 2 1 236.334 2.351 20 0 BEADMP CCC[C@@H](C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1)OCC ZINC000629515399 361114439 /nfs/dbraw/zinc/11/44/39/361114439.db2.gz RMHXYKTYFZSFQN-IHRRRGAJSA-N 2 1 242.407 2.312 20 0 BEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC12CCC2 ZINC000629528172 361132986 /nfs/dbraw/zinc/13/29/86/361132986.db2.gz RBMIETJGIHZUJP-TUAOUCFPSA-N 2 1 208.349 2.049 20 0 BEADMP CSCC[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000158593718 361205442 /nfs/dbraw/zinc/20/54/42/361205442.db2.gz TWDQYWZOJIZKNF-VXGBXAGGSA-N 2 1 230.421 2.059 20 0 BEADMP C[C@@H]([NH2+]CC1CC(C)C1)c1c[nH+]ccc1N ZINC000622044400 370676746 /nfs/dbraw/zinc/67/67/46/370676746.db2.gz DJMCZQWNLRSHNX-HSOILSAZSA-N 2 1 219.332 2.191 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC23CCC3)C[NH2+]1 ZINC000629538812 361403738 /nfs/dbraw/zinc/40/37/38/361403738.db2.gz LGZYTGISQNGURM-JHJVBQTASA-N 2 1 222.376 2.439 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CC[C@H](C)C1 ZINC000429576511 201117931 /nfs/dbraw/zinc/11/79/31/201117931.db2.gz CKDUBOSFTJTOPX-AAEUAGOBSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CC[C@H](C)C1 ZINC000429576511 201117932 /nfs/dbraw/zinc/11/79/32/201117932.db2.gz CKDUBOSFTJTOPX-AAEUAGOBSA-N 2 1 221.348 2.312 20 0 BEADMP CCC[C@@H](C)CCC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000629535732 361409741 /nfs/dbraw/zinc/40/97/41/361409741.db2.gz DPVNBTPXQRBXDG-KGLIPLIRSA-N 2 1 242.407 2.252 20 0 BEADMP CCC[C@H](C)CCC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000629535706 361409766 /nfs/dbraw/zinc/40/97/66/361409766.db2.gz DPVNBTPXQRBXDG-KBPBESRZSA-N 2 1 242.407 2.252 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC23CCCC3)C[NH2+]1 ZINC000629542708 361420475 /nfs/dbraw/zinc/42/04/75/361420475.db2.gz JOBIVGRTQJDJPN-FRRDWIJNSA-N 2 1 222.376 2.439 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC23CCC3)C[NH2+]1 ZINC000629543029 361421467 /nfs/dbraw/zinc/42/14/67/361421467.db2.gz RIHIWJQMNOZSNY-UTUOFQBUSA-N 2 1 208.349 2.049 20 0 BEADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000629548925 361434054 /nfs/dbraw/zinc/43/40/54/361434054.db2.gz SIZWBWYJVRINGS-MAZHCROVSA-N 2 1 244.382 2.348 20 0 BEADMP C[C@@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)CC[C@@H]1[NH3+] ZINC000430941314 201158878 /nfs/dbraw/zinc/15/88/78/201158878.db2.gz VPRCWGIJHVLZDR-ONERCXAPSA-N 2 1 248.345 2.482 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629583535 361468151 /nfs/dbraw/zinc/46/81/51/361468151.db2.gz CBBYYYFNQCTOHA-IYBDPMFKSA-N 2 1 244.382 2.426 20 0 BEADMP Cc1ccccc1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584025 361469283 /nfs/dbraw/zinc/46/92/83/361469283.db2.gz JORXOFOSILRIJJ-IYBDPMFKSA-N 2 1 244.382 2.426 20 0 BEADMP Cc1ccccc1CCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430940335 201159525 /nfs/dbraw/zinc/15/95/25/201159525.db2.gz JRXRFECUGATDOJ-AWEZNQCLSA-N 2 1 232.371 2.208 20 0 BEADMP Cc1ccccc1CCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430940337 201159541 /nfs/dbraw/zinc/15/95/41/201159541.db2.gz JRXRFECUGATDOJ-CQSZACIVSA-N 2 1 232.371 2.208 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCc2ccccc2C)C1 ZINC000430941212 201159805 /nfs/dbraw/zinc/15/98/05/201159805.db2.gz VABODEPXKUPEEZ-HNNXBMFYSA-N 2 1 246.398 2.469 20 0 BEADMP COc1cccc2c1C[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000629581876 361472972 /nfs/dbraw/zinc/47/29/72/361472972.db2.gz IVSBJNUJTFEPFO-GFCCVEGCSA-N 2 1 246.354 2.010 20 0 BEADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCCC2(CC2)CC1 ZINC000629586134 361475470 /nfs/dbraw/zinc/47/54/70/361475470.db2.gz LCZXUFMAKBDFDR-ZDUSSCGKSA-N 2 1 222.376 2.252 20 0 BEADMP C(C[N@H+]1CCCC2(CC2)CC1)[C@H]1CC[NH2+]C1 ZINC000629587076 361475911 /nfs/dbraw/zinc/47/59/11/361475911.db2.gz XOCSIHQXIIQDOK-CYBMUJFWSA-N 2 1 222.376 2.252 20 0 BEADMP C/C=C/C[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000629595407 361482102 /nfs/dbraw/zinc/48/21/02/361482102.db2.gz OPHSVGUFXFFHMS-DHMVDLOISA-N 2 1 222.376 2.274 20 0 BEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC000629593126 361485053 /nfs/dbraw/zinc/48/50/53/361485053.db2.gz DQLZPGVYVNHDNQ-LJIZCISZSA-N 2 1 248.414 2.354 20 0 BEADMP CC[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629562476 361456187 /nfs/dbraw/zinc/45/61/87/361456187.db2.gz NJTGPKHQWSSJMX-GUBZILKMSA-N 2 1 238.297 2.244 20 0 BEADMP Cn1ccc(C[N@@H+](CCC[NH3+])CC2CCCC2)c1 ZINC000629654447 361558282 /nfs/dbraw/zinc/55/82/82/361558282.db2.gz OWWPJNBDEDIKFE-UHFFFAOYSA-N 2 1 249.402 2.366 20 0 BEADMP C[C@]1(C[N@H+]2CCCC(F)(F)CC2)CC[NH2+]C1 ZINC000629655216 361560699 /nfs/dbraw/zinc/56/06/99/361560699.db2.gz UKMINWLJQPPENA-NSHDSACASA-N 2 1 232.318 2.107 20 0 BEADMP C[C@@]1(C[N@H+]2CCCC3(CC3)CC2)CC[NH2+]C1 ZINC000629669571 361589792 /nfs/dbraw/zinc/58/97/92/361589792.db2.gz YEZVUCMDZIVDBG-CYBMUJFWSA-N 2 1 222.376 2.252 20 0 BEADMP CCC1([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000448552681 201246241 /nfs/dbraw/zinc/24/62/41/201246241.db2.gz XXZOXJNWJKONGE-UHFFFAOYSA-N 2 1 208.349 2.145 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CC[NH2+][C@H]1C)Cc1ccccc1 ZINC000629672198 361614059 /nfs/dbraw/zinc/61/40/59/361614059.db2.gz NQZPYJVNTPLYSF-KCQAQPDRSA-N 2 1 232.371 2.205 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccccc1 ZINC000629672112 361614330 /nfs/dbraw/zinc/61/43/30/361614330.db2.gz MGVLEVLCNDSBPY-MBNYWOFBSA-N 2 1 218.344 2.130 20 0 BEADMP CC[N@@H+](Cc1cccnc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435381595 201264730 /nfs/dbraw/zinc/26/47/30/201264730.db2.gz UVLBIJJPKUGWSZ-OAHLLOKOSA-N 2 1 247.386 2.354 20 0 BEADMP CC[N@@H+](Cc1ncccc1C)[C@H]1CCC[NH2+]CC1 ZINC000435378945 201265075 /nfs/dbraw/zinc/26/50/75/201265075.db2.gz HDTMFFRFMHBKRT-AWEZNQCLSA-N 2 1 247.386 2.354 20 0 BEADMP C[NH2+]CCC[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000435871731 201293980 /nfs/dbraw/zinc/29/39/80/201293980.db2.gz LJDMVYQHYQLNOR-HIFRSBDPSA-N 2 1 232.371 2.474 20 0 BEADMP CC[N@H+](CCC[NH2+]C)Cc1cccc(F)c1 ZINC000435885697 201294944 /nfs/dbraw/zinc/29/49/44/201294944.db2.gz NBLMQBISABZBAH-UHFFFAOYSA-N 2 1 224.323 2.257 20 0 BEADMP CC[N@@H+](CCC[NH2+]C)Cc1cccc(F)c1 ZINC000435885697 201294948 /nfs/dbraw/zinc/29/49/48/201294948.db2.gz NBLMQBISABZBAH-UHFFFAOYSA-N 2 1 224.323 2.257 20 0 BEADMP [NH3+]C1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000336563314 181344606 /nfs/dbraw/zinc/34/46/06/181344606.db2.gz IVRNGCGWQCPTCR-CQSZACIVSA-N 2 1 234.318 2.236 20 0 BEADMP CCc1cc(N[C@H]2CC[NH2+]C23CCC3)nc(C)[nH+]1 ZINC000630520515 364204999 /nfs/dbraw/zinc/20/49/99/364204999.db2.gz DOQJDBVGFGKMJY-LBPRGKRZSA-N 2 1 246.358 2.044 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C2CCCCCC2)C[NH2+]1 ZINC000398951196 364278861 /nfs/dbraw/zinc/27/88/61/364278861.db2.gz DNDVHHONXSCBGE-YPMHNXCESA-N 2 1 210.365 2.439 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000398958530 364280078 /nfs/dbraw/zinc/28/00/78/364280078.db2.gz KHFMBHIDFPGSFM-NDBYEHHHSA-N 2 1 210.365 2.295 20 0 BEADMP CC1CCC([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000398971077 364401949 /nfs/dbraw/zinc/40/19/49/364401949.db2.gz WBDZXLQYWUOUOZ-POOIEITISA-N 2 1 210.365 2.295 20 0 BEADMP C[C@@H](Cc1cccs1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399025234 364726684 /nfs/dbraw/zinc/72/66/84/364726684.db2.gz JIVXCDHFZQWOCZ-WOPDTQHZSA-N 2 1 238.400 2.409 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cncs1 ZINC000573530071 364855291 /nfs/dbraw/zinc/85/52/91/364855291.db2.gz QPTRFJOIXBEKNR-BDAKNGLRSA-N 2 1 248.355 2.074 20 0 BEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC2(C)CC2)CC1 ZINC000573541843 364856486 /nfs/dbraw/zinc/85/64/86/364856486.db2.gz MXBDXWRLIWFBKR-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000252715513 325692430 /nfs/dbraw/zinc/69/24/30/325692430.db2.gz VVHQPKDXKBUNBW-GMXVVIOVSA-N 2 1 212.381 2.351 20 0 BEADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000251782006 541443432 /nfs/dbraw/zinc/44/34/32/541443432.db2.gz FOMJUGQYJFNDNB-XDQVBPFNSA-N 2 1 240.391 2.016 20 0 BEADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000251782006 541443437 /nfs/dbraw/zinc/44/34/37/541443437.db2.gz FOMJUGQYJFNDNB-XDQVBPFNSA-N 2 1 240.391 2.016 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]cc2C)C1 ZINC000191981482 365005185 /nfs/dbraw/zinc/00/51/85/365005185.db2.gz SLQYGZNTRGAEBB-ZDUSSCGKSA-N 2 1 233.359 2.168 20 0 BEADMP C[C@@H](C[N@@H+](C)CCC[NH3+])c1ccc(F)cc1 ZINC000574277869 365026175 /nfs/dbraw/zinc/02/61/75/365026175.db2.gz VDEGMHSNZZHNBV-NSHDSACASA-N 2 1 224.323 2.210 20 0 BEADMP NCC[NH2+][C@H]1CCCCc2ccccc21 ZINC000037712333 181397437 /nfs/dbraw/zinc/39/74/37/181397437.db2.gz SMHJLNADBOMQEB-ZDUSSCGKSA-N 2 1 204.317 2.002 20 0 BEADMP [NH3+]CC[NH2+][C@H]1CCCCc2ccccc21 ZINC000037712333 181397440 /nfs/dbraw/zinc/39/74/40/181397440.db2.gz SMHJLNADBOMQEB-ZDUSSCGKSA-N 2 1 204.317 2.002 20 0 BEADMP [NH3+]CC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000037712964 181397764 /nfs/dbraw/zinc/39/77/64/181397764.db2.gz WSIHFHHYIQOIDR-KGLIPLIRSA-N 2 1 218.344 2.261 20 0 BEADMP CC1(C)C[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000335566919 365292289 /nfs/dbraw/zinc/29/22/89/365292289.db2.gz MTPGQVJCZDGLHA-LBPRGKRZSA-N 2 1 208.349 2.001 20 0 BEADMP [NH3+][C@@H](C[NH2+][C@@H]1CCCNc2ccccc21)C1CC1 ZINC000579581003 366887265 /nfs/dbraw/zinc/88/72/65/366887265.db2.gz PAKQTYIDXMFCIQ-DZGCQCFKSA-N 2 1 245.370 2.260 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+](CCCc2ccsc2)C1 ZINC000579712576 366989221 /nfs/dbraw/zinc/98/92/21/366989221.db2.gz RXGFIOPISDBOFU-CYBMUJFWSA-N 2 1 238.400 2.351 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1cc(C)sc1C ZINC000579809482 367017196 /nfs/dbraw/zinc/01/71/96/367017196.db2.gz CQKGYZIIXLCHMO-LLVKDONJSA-N 2 1 212.362 2.192 20 0 BEADMP C(C[NH2+]C1CC[NH+](C2CC2)CC1)CC1CC1 ZINC000380981311 367330127 /nfs/dbraw/zinc/33/01/27/367330127.db2.gz AZGZPXHRQHFREV-UHFFFAOYSA-N 2 1 222.376 2.393 20 0 BEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000381128754 367353367 /nfs/dbraw/zinc/35/33/67/367353367.db2.gz KCKMBZCRXPGSDU-RDBSUJKOSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CC2CCC1CC2 ZINC000581251722 367308825 /nfs/dbraw/zinc/30/88/25/367308825.db2.gz IJLVVEMGPPXWJE-RUOPDXTDSA-N 2 1 236.403 2.400 20 0 BEADMP C(=C\c1ccccc1)\C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000381418180 367399405 /nfs/dbraw/zinc/39/94/05/367399405.db2.gz ACBSYRKGRYGNKV-GTEGOMCXSA-N 2 1 242.366 2.384 20 0 BEADMP C(=C\c1ccccc1)\C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000381418180 367399411 /nfs/dbraw/zinc/39/94/11/367399411.db2.gz ACBSYRKGRYGNKV-GTEGOMCXSA-N 2 1 242.366 2.384 20 0 BEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1noc2ccccc12 ZINC000581440238 367473145 /nfs/dbraw/zinc/47/31/45/367473145.db2.gz ZJAHTOHVSZWSQW-ZJUUUORDSA-N 2 1 233.315 2.043 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000381833839 367460532 /nfs/dbraw/zinc/46/05/32/367460532.db2.gz GLFNUFFZEGEUEW-IJLUTSLNSA-N 2 1 246.345 2.352 20 0 BEADMP Cc1ccnc([C@H](C)[NH2+]CCC[NH2+]C(C)C)c1 ZINC000581482623 367513345 /nfs/dbraw/zinc/51/33/45/367513345.db2.gz BAXVMWACMJKZSS-ZDUSSCGKSA-N 2 1 235.375 2.429 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000383149443 367601057 /nfs/dbraw/zinc/60/10/57/367601057.db2.gz ODGSBXOOELDCEW-SCVCMEIPSA-N 2 1 246.345 2.350 20 0 BEADMP CC[C@@H]1[C@H](C)CC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000384027841 367670257 /nfs/dbraw/zinc/67/02/57/367670257.db2.gz ZECUUGQBEKPSEW-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP CCCOc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1 ZINC000385258535 367813554 /nfs/dbraw/zinc/81/35/54/367813554.db2.gz YAQMUBUNGZRDFT-UHFFFAOYSA-N 2 1 248.370 2.397 20 0 BEADMP Cc1ccc(C)c(C[N@H+](C)C2CC([NH3+])C2)c1 ZINC000385095046 367788324 /nfs/dbraw/zinc/78/83/24/367788324.db2.gz YRSKHQYCUQHCNE-UHFFFAOYSA-N 2 1 218.344 2.225 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000581824632 367832126 /nfs/dbraw/zinc/83/21/26/367832126.db2.gz RXQZVOSMDTYPGA-CABCVRRESA-N 2 1 247.386 2.244 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000581824632 367832131 /nfs/dbraw/zinc/83/21/31/367832131.db2.gz RXQZVOSMDTYPGA-CABCVRRESA-N 2 1 247.386 2.244 20 0 BEADMP C[C@H]([N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1)C1(C)CC1 ZINC000385481899 367835169 /nfs/dbraw/zinc/83/51/69/367835169.db2.gz YUGXCMWLKUZVIN-FRRDWIJNSA-N 2 1 224.392 2.495 20 0 BEADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccoc1 ZINC000581833005 367836889 /nfs/dbraw/zinc/83/68/89/367836889.db2.gz ZJGFRHHKEOTVRN-UHFFFAOYSA-N 2 1 233.315 2.078 20 0 BEADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccoc1 ZINC000581833005 367836897 /nfs/dbraw/zinc/83/68/97/367836897.db2.gz ZJGFRHHKEOTVRN-UHFFFAOYSA-N 2 1 233.315 2.078 20 0 BEADMP C[C@H]([N@@H+](C)CC[C@@H]1CC[NH2+]C1)C1(C)CC1 ZINC000385524033 367840327 /nfs/dbraw/zinc/84/03/27/367840327.db2.gz WANLMNUJDXXFEQ-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@H](C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)OC ZINC000386046311 367904059 /nfs/dbraw/zinc/90/40/59/367904059.db2.gz UJTVRSBOZBRCOD-XUXIUFHCSA-N 2 1 242.407 2.168 20 0 BEADMP C[C@H](CCc1ccco1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399187842 367894444 /nfs/dbraw/zinc/89/44/44/367894444.db2.gz OGOVMFNLNSLRDG-JHJVBQTASA-N 2 1 236.359 2.331 20 0 BEADMP CC(C)[N@H+](CCC1CC[NH2+]CC1)CC(F)F ZINC000387081856 368048951 /nfs/dbraw/zinc/04/89/51/368048951.db2.gz SUMMHZZSRRAPFL-UHFFFAOYSA-N 2 1 234.334 2.352 20 0 BEADMP CC(C)[N@@H+](CCC1CC[NH2+]CC1)CC(F)F ZINC000387081856 368048955 /nfs/dbraw/zinc/04/89/55/368048955.db2.gz SUMMHZZSRRAPFL-UHFFFAOYSA-N 2 1 234.334 2.352 20 0 BEADMP C[C@H]([NH2+][C@H]1CC12CCCC2)[C@@H]1CCCC[NH2+]1 ZINC000387106847 368051441 /nfs/dbraw/zinc/05/14/41/368051441.db2.gz GLJLYQPPKLWPCG-AVGNSLFASA-N 2 1 222.376 2.439 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252800262 368093042 /nfs/dbraw/zinc/09/30/42/368093042.db2.gz WDYAOQCHEAOLCZ-YIYPIFLZSA-N 2 1 224.392 2.352 20 0 BEADMP Cc1ccc(C[NH2+]CCCn2cc[nH+]c2C)o1 ZINC000069754246 368758370 /nfs/dbraw/zinc/75/83/70/368758370.db2.gz RAAAPNHGMIDNSJ-UHFFFAOYSA-N 2 1 233.315 2.273 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[C@H]2C)C1 ZINC000083390742 368771885 /nfs/dbraw/zinc/77/18/85/368771885.db2.gz HEWSJGGECOMNGV-HZSPNIEDSA-N 2 1 224.392 2.495 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000086884435 368886619 /nfs/dbraw/zinc/88/66/19/368886619.db2.gz BPPVLRLHXLUTFQ-ZWNOBZJWSA-N 2 1 238.400 2.480 20 0 BEADMP CC1(C)CCCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000086874058 368886751 /nfs/dbraw/zinc/88/67/51/368886751.db2.gz NOOYOACKWXCFOZ-NWDGAFQWSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000309741989 326166774 /nfs/dbraw/zinc/16/67/74/326166774.db2.gz DMMKPZRCNOPSKV-VXGBXAGGSA-N 2 1 221.348 2.131 20 0 BEADMP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657096 368997980 /nfs/dbraw/zinc/99/79/80/368997980.db2.gz JRBYVINUVSXNDU-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP [NH3+]C[C@@H]([NH2+]C[C@@H]1CCCCO1)C1CCCCC1 ZINC000631826970 368989578 /nfs/dbraw/zinc/98/95/78/368989578.db2.gz BFKFBGTVEYKQDQ-UONOGXRCSA-N 2 1 240.391 2.053 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000623655837 368991170 /nfs/dbraw/zinc/99/11/70/368991170.db2.gz GZPJSKKWKHMYDS-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP C[N@H+]1CCCC[C@H](C[NH2+]CC(C)(C)C)C1 ZINC000623656519 368993354 /nfs/dbraw/zinc/99/33/54/368993354.db2.gz VYVWTDRIHWTFJI-GFCCVEGCSA-N 2 1 212.381 2.354 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656345 368993534 /nfs/dbraw/zinc/99/35/34/368993534.db2.gz SFHFTFUTXJPCJT-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1ccccc1CCC[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631861230 369470898 /nfs/dbraw/zinc/47/08/98/369470898.db2.gz YCUAASMAVBSOGW-HIFRSBDPSA-N 2 1 232.371 2.349 20 0 BEADMP Cc1ccccc1CCC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631861230 369470903 /nfs/dbraw/zinc/47/09/03/369470903.db2.gz YCUAASMAVBSOGW-HIFRSBDPSA-N 2 1 232.371 2.349 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459732732 203344420 /nfs/dbraw/zinc/34/44/20/203344420.db2.gz MSQMRISNRYGPIN-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459736646 203347929 /nfs/dbraw/zinc/34/79/29/203347929.db2.gz QEFSUWFEHVGBHT-QWHCGFSZSA-N 2 1 212.381 2.352 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631862152 369481353 /nfs/dbraw/zinc/48/13/53/369481353.db2.gz MATBBMQEFCKXRN-IVZWLZJFSA-N 2 1 220.307 2.089 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631862152 369481355 /nfs/dbraw/zinc/48/13/55/369481355.db2.gz MATBBMQEFCKXRN-IVZWLZJFSA-N 2 1 220.307 2.089 20 0 BEADMP CCC(CC)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459800612 203374751 /nfs/dbraw/zinc/37/47/51/203374751.db2.gz ZVGCOYVOTVYEAH-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H](CC1CC1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459795987 203372661 /nfs/dbraw/zinc/37/26/61/203372661.db2.gz VRKWLJLPCUYNJB-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C1CCCC1 ZINC000166319248 203387193 /nfs/dbraw/zinc/38/71/93/203387193.db2.gz WZTGERVXOBRHLU-FZMZJTMJSA-N 2 1 224.392 2.495 20 0 BEADMP FC1(F)C[C@@H]1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000621377191 370318790 /nfs/dbraw/zinc/31/87/90/370318790.db2.gz RLPVRLHYEACPML-TUAOUCFPSA-N 2 1 244.329 2.248 20 0 BEADMP CCC(CC)C[N@H+](CC)C[C@@H](O)C[NH+](C)CC ZINC000310571830 370353337 /nfs/dbraw/zinc/35/33/37/370353337.db2.gz ZKUNAXFVVPXIOL-AWEZNQCLSA-N 2 1 244.423 2.057 20 0 BEADMP CCC(CC)C[N@@H+](CC)C[C@@H](O)C[NH+](C)CC ZINC000310571830 370353344 /nfs/dbraw/zinc/35/33/44/370353344.db2.gz ZKUNAXFVVPXIOL-AWEZNQCLSA-N 2 1 244.423 2.057 20 0 BEADMP CCC(CC)C[NH+](CC)C[C@@H](O)C[N@H+](C)CC ZINC000310571830 370353348 /nfs/dbraw/zinc/35/33/48/370353348.db2.gz ZKUNAXFVVPXIOL-AWEZNQCLSA-N 2 1 244.423 2.057 20 0 BEADMP CCC(CC)C[NH+](CC)C[C@@H](O)C[N@@H+](C)CC ZINC000310571830 370353352 /nfs/dbraw/zinc/35/33/52/370353352.db2.gz ZKUNAXFVVPXIOL-AWEZNQCLSA-N 2 1 244.423 2.057 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CC2(F)F)[C@H](C)C1 ZINC000621734734 370491898 /nfs/dbraw/zinc/49/18/98/370491898.db2.gz VBKKYYBHNVFCTK-WOPDTQHZSA-N 2 1 246.345 2.352 20 0 BEADMP FCC1([NH2+]C2CC[NH+](CC3CC3)CC2)CCC1 ZINC000568396124 326353934 /nfs/dbraw/zinc/35/39/34/326353934.db2.gz VJYGUVQOEPRWHV-UHFFFAOYSA-N 2 1 240.366 2.343 20 0 BEADMP Cc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])ccn1 ZINC000621776327 370524058 /nfs/dbraw/zinc/52/40/58/370524058.db2.gz JCDVDBSOLBTJKP-SWLSCSKDSA-N 2 1 247.386 2.339 20 0 BEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CC1CCCCC1)C2 ZINC000621777650 370526762 /nfs/dbraw/zinc/52/67/62/370526762.db2.gz DJBVHYATJHXSHZ-KGLIPLIRSA-N 2 1 222.376 2.380 20 0 BEADMP CCC(CC)C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621784133 370535291 /nfs/dbraw/zinc/53/52/91/370535291.db2.gz KIIBIYMXVHTOAC-STQMWFEESA-N 2 1 210.365 2.236 20 0 BEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC000621784342 370535600 /nfs/dbraw/zinc/53/56/00/370535600.db2.gz NMHIZCRZBGGINZ-QMIVOQANSA-N 2 1 234.387 2.236 20 0 BEADMP CC1CC([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000624121672 371322916 /nfs/dbraw/zinc/32/29/16/371322916.db2.gz ARLKEHGZLFFORK-OTTFEQOBSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccncc1 ZINC000624122646 371322999 /nfs/dbraw/zinc/32/29/99/371322999.db2.gz XNAKRCPUCLYEIP-UONOGXRCSA-N 2 1 247.386 2.464 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c(C)n1 ZINC000631825155 372603608 /nfs/dbraw/zinc/60/36/08/372603608.db2.gz APRJKFAUDNVIKA-HNNXBMFYSA-N 2 1 247.386 2.178 20 0 BEADMP C[NH2+]CCC[N@H+](C)Cc1c(C)cc(C)nc1C ZINC000631828057 372608591 /nfs/dbraw/zinc/60/85/91/372608591.db2.gz CRDFIFADAHQFII-UHFFFAOYSA-N 2 1 235.375 2.048 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1c(C)cc(C)nc1C ZINC000631828057 372608602 /nfs/dbraw/zinc/60/86/02/372608602.db2.gz CRDFIFADAHQFII-UHFFFAOYSA-N 2 1 235.375 2.048 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCCc1cccc(F)c1 ZINC000631860630 372660528 /nfs/dbraw/zinc/66/05/28/372660528.db2.gz MCOZZZHTPBMMIP-SMDDNHRTSA-N 2 1 236.334 2.180 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCCc1cccc(F)c1 ZINC000631860630 372660530 /nfs/dbraw/zinc/66/05/30/372660530.db2.gz MCOZZZHTPBMMIP-SMDDNHRTSA-N 2 1 236.334 2.180 20 0 BEADMP [NH3+][C@@H]1CCCCC[N@@H+](CCCCCF)C1 ZINC000631834593 372621296 /nfs/dbraw/zinc/62/12/96/372621296.db2.gz BDAGNCNJBUNECL-GFCCVEGCSA-N 2 1 216.344 2.330 20 0 BEADMP C[C@@H]1C[N@H+](Cc2ccsc2Cl)C[C@H]1C[NH3+] ZINC000631837156 372627478 /nfs/dbraw/zinc/62/74/78/372627478.db2.gz NOTOHMCBKYUKHK-PSASIEDQSA-N 2 1 244.791 2.428 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccsc2Cl)C[C@H]1C[NH3+] ZINC000631837156 372627485 /nfs/dbraw/zinc/62/74/85/372627485.db2.gz NOTOHMCBKYUKHK-PSASIEDQSA-N 2 1 244.791 2.428 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631842734 372641198 /nfs/dbraw/zinc/64/11/98/372641198.db2.gz FBSGSNLGATZWEH-DZGCQCFKSA-N 2 1 232.371 2.330 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCCc1cccc(F)c1 ZINC000631860627 372660110 /nfs/dbraw/zinc/66/01/10/372660110.db2.gz MCOZZZHTPBMMIP-BXUZGUMPSA-N 2 1 236.334 2.180 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCCc1cccc(F)c1 ZINC000631860627 372660118 /nfs/dbraw/zinc/66/01/18/372660118.db2.gz MCOZZZHTPBMMIP-BXUZGUMPSA-N 2 1 236.334 2.180 20 0 BEADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000631873778 372675441 /nfs/dbraw/zinc/67/54/41/372675441.db2.gz WBCADJVWECMQBS-UKRRQHHQSA-N 2 1 236.403 2.498 20 0 BEADMP Fc1cccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631886890 372681780 /nfs/dbraw/zinc/68/17/80/372681780.db2.gz MWYLHLLQUTUYFV-DZGCQCFKSA-N 2 1 248.345 2.400 20 0 BEADMP Fc1cccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631886890 372681787 /nfs/dbraw/zinc/68/17/87/372681787.db2.gz MWYLHLLQUTUYFV-DZGCQCFKSA-N 2 1 248.345 2.400 20 0 BEADMP COCC(C)(C)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000426417778 206047378 /nfs/dbraw/zinc/04/73/78/206047378.db2.gz CKGOFYJFTNIJGW-QWHCGFSZSA-N 2 1 242.407 2.074 20 0 BEADMP COCC(C)(C)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000426417778 206047381 /nfs/dbraw/zinc/04/73/81/206047381.db2.gz CKGOFYJFTNIJGW-QWHCGFSZSA-N 2 1 242.407 2.074 20 0 BEADMP COCC(C)(C)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000426417778 206047384 /nfs/dbraw/zinc/04/73/84/206047384.db2.gz CKGOFYJFTNIJGW-QWHCGFSZSA-N 2 1 242.407 2.074 20 0 BEADMP COCC(C)(C)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000426417778 206047387 /nfs/dbraw/zinc/04/73/87/206047387.db2.gz CKGOFYJFTNIJGW-QWHCGFSZSA-N 2 1 242.407 2.074 20 0 BEADMP CCSCC[C@@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000178976801 134314278 /nfs/dbraw/zinc/31/42/78/134314278.db2.gz MGNWOQZJCMTOGY-GFCCVEGCSA-N 2 1 244.448 2.450 20 0 BEADMP C[C@@H]1CCC[C@H](C)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000178974102 134314280 /nfs/dbraw/zinc/31/42/80/134314280.db2.gz MGFOVQNMAVNECR-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000353491084 169126742 /nfs/dbraw/zinc/12/67/42/169126742.db2.gz RNBUGZRFWBLHMN-HZSPNIEDSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000353491084 169126745 /nfs/dbraw/zinc/12/67/45/169126745.db2.gz RNBUGZRFWBLHMN-HZSPNIEDSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)Nc1cc[nH+]c(C)c1 ZINC000357773364 169125088 /nfs/dbraw/zinc/12/50/88/169125088.db2.gz GJWNCXOERBATPA-CYBMUJFWSA-N 2 1 235.375 2.344 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000353480274 169125980 /nfs/dbraw/zinc/12/59/80/169125980.db2.gz HXJBZMFIQCQMCS-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000353480274 169125982 /nfs/dbraw/zinc/12/59/82/169125982.db2.gz HXJBZMFIQCQMCS-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)C1CC1 ZINC000336742329 169127433 /nfs/dbraw/zinc/12/74/33/169127433.db2.gz WUEQTVNHZFHWSH-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)C1CC1 ZINC000336742329 169127434 /nfs/dbraw/zinc/12/74/34/169127434.db2.gz WUEQTVNHZFHWSH-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@H+](CCC(F)(F)F)C1CC[NH2+]CC1 ZINC000070914783 169140433 /nfs/dbraw/zinc/14/04/33/169140433.db2.gz IEPMTBWMCXLXDA-UHFFFAOYSA-N 2 1 238.297 2.403 20 0 BEADMP CCC[N@@H+](CCC(F)(F)F)C1CC[NH2+]CC1 ZINC000070914783 169140434 /nfs/dbraw/zinc/14/04/34/169140434.db2.gz IEPMTBWMCXLXDA-UHFFFAOYSA-N 2 1 238.297 2.403 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CCSC1 ZINC000336776980 169196220 /nfs/dbraw/zinc/19/62/20/169196220.db2.gz HBYYCUYHVZFPLB-CHWSQXEVSA-N 2 1 242.432 2.204 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CCSC1 ZINC000336776980 169196221 /nfs/dbraw/zinc/19/62/21/169196221.db2.gz HBYYCUYHVZFPLB-CHWSQXEVSA-N 2 1 242.432 2.204 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000336777790 169196820 /nfs/dbraw/zinc/19/68/20/169196820.db2.gz JOCCUCGXBOIXOO-XJFOESAGSA-N 2 1 224.392 2.495 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000336777790 169196821 /nfs/dbraw/zinc/19/68/21/169196821.db2.gz JOCCUCGXBOIXOO-XJFOESAGSA-N 2 1 224.392 2.495 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C(C)C ZINC000336764721 169199514 /nfs/dbraw/zinc/19/95/14/169199514.db2.gz QEKFPPMPDAAJRE-OLZOCXBDSA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C(C)C ZINC000336764721 169199516 /nfs/dbraw/zinc/19/95/16/169199516.db2.gz QEKFPPMPDAAJRE-OLZOCXBDSA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@H+](Cc1cccnc1)C1CC[NH2+]CC1 ZINC000037539277 169179102 /nfs/dbraw/zinc/17/91/02/169179102.db2.gz XDHYMGBWMFNOER-UHFFFAOYSA-N 2 1 233.359 2.046 20 0 BEADMP CCC[N@@H+](Cc1cccnc1)C1CC[NH2+]CC1 ZINC000037539277 169179106 /nfs/dbraw/zinc/17/91/06/169179106.db2.gz XDHYMGBWMFNOER-UHFFFAOYSA-N 2 1 233.359 2.046 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+]CCC(C)C)C1 ZINC000076453762 169206171 /nfs/dbraw/zinc/20/61/71/169206171.db2.gz QETFLROOSXLZSY-CYBMUJFWSA-N 2 1 212.381 2.354 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000309942948 169206434 /nfs/dbraw/zinc/20/64/34/169206434.db2.gz CGXZLYTYHQSSOW-OLZOCXBDSA-N 2 1 242.432 2.061 20 0 BEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)o2)C1 ZINC000098173223 169207265 /nfs/dbraw/zinc/20/72/65/169207265.db2.gz QHUPXGJOEBUHED-ZDUSSCGKSA-N 2 1 236.359 2.410 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)o2)C1 ZINC000098173223 169207266 /nfs/dbraw/zinc/20/72/66/169207266.db2.gz QHUPXGJOEBUHED-ZDUSSCGKSA-N 2 1 236.359 2.410 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC2(C)C)C1 ZINC000309946607 169207286 /nfs/dbraw/zinc/20/72/86/169207286.db2.gz DOXOSQANLWWOOE-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)C1 ZINC000309976881 169209434 /nfs/dbraw/zinc/20/94/34/169209434.db2.gz UBJWWFHJAFZJFP-XJFOESAGSA-N 2 1 224.392 2.352 20 0 BEADMP c1ccc(CCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000336786239 183392289 /nfs/dbraw/zinc/39/22/89/183392289.db2.gz BLSBULBRIMFOLM-JKSUJKDBSA-N 2 1 244.382 2.161 20 0 BEADMP CCCOc1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000032022206 169325099 /nfs/dbraw/zinc/32/50/99/169325099.db2.gz VARDFZOFISPJHD-UHFFFAOYSA-N 2 1 248.370 2.399 20 0 BEADMP CCC[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000308754184 169370811 /nfs/dbraw/zinc/37/08/11/169370811.db2.gz VRCPNRKLDBKAGD-NEPJUHHUSA-N 2 1 200.370 2.493 20 0 BEADMP CCC[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000308754184 169370813 /nfs/dbraw/zinc/37/08/13/169370813.db2.gz VRCPNRKLDBKAGD-NEPJUHHUSA-N 2 1 200.370 2.493 20 0 BEADMP CCC[C@@H](CC)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000125230459 169379494 /nfs/dbraw/zinc/37/94/94/169379494.db2.gz DOHFINOLJHAOKA-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP CC[N@@H+](CCC[NH+]1CCCC1)CC(C)C ZINC000179308131 134319107 /nfs/dbraw/zinc/31/91/07/134319107.db2.gz IETHLZHURMTCJT-UHFFFAOYSA-N 2 1 212.381 2.450 20 0 BEADMP c1cn(CCC[N@H+]2CCC3(CCC3)C2)cn1 ZINC000182851418 134348932 /nfs/dbraw/zinc/34/89/32/134348932.db2.gz UZMXXEWLGJXFLS-UHFFFAOYSA-N 2 1 219.332 2.149 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000226156734 134359454 /nfs/dbraw/zinc/35/94/54/134359454.db2.gz VTXXOWLPZZMUED-DYEKYZERSA-N 2 1 224.392 2.495 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC000226419700 134365756 /nfs/dbraw/zinc/36/57/56/134365756.db2.gz NDAGZHGCYBWEQL-ZDUSSCGKSA-N 2 1 210.365 2.237 20 0 BEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000069723901 383840885 /nfs/dbraw/zinc/84/08/85/383840885.db2.gz BFYOWBLOLJIMSU-NSHDSACASA-N 2 1 224.373 2.309 20 0 BEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000069723898 383841297 /nfs/dbraw/zinc/84/12/97/383841297.db2.gz BFYOWBLOLJIMSU-LLVKDONJSA-N 2 1 224.373 2.309 20 0 BEADMP C[C@]1(C[N@H+]2CCCC(C)(C)C2)CC[NH2+]C1 ZINC000069794526 383844924 /nfs/dbraw/zinc/84/49/24/383844924.db2.gz GWRRDFXIQNEKCQ-ZDUSSCGKSA-N 2 1 210.365 2.108 20 0 BEADMP C[NH+]1CCC([NH2+]C2CCC(F)(F)CC2)CC1 ZINC000309561299 383869318 /nfs/dbraw/zinc/86/93/18/383869318.db2.gz LCLPDXIDMUDXEB-UHFFFAOYSA-N 2 1 232.318 2.248 20 0 BEADMP [NH3+]CC[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000070533446 383934612 /nfs/dbraw/zinc/93/46/12/383934612.db2.gz LNAOIVGFHGQXQY-CYBMUJFWSA-N 2 1 210.365 2.237 20 0 BEADMP C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccn1 ZINC000037649374 383989635 /nfs/dbraw/zinc/98/96/35/383989635.db2.gz MQNPEPXKKNPJHC-QWHCGFSZSA-N 2 1 245.370 2.217 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccccn1 ZINC000037649374 383989645 /nfs/dbraw/zinc/98/96/45/383989645.db2.gz MQNPEPXKKNPJHC-QWHCGFSZSA-N 2 1 245.370 2.217 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccn1 ZINC000037649374 383989652 /nfs/dbraw/zinc/98/96/52/383989652.db2.gz MQNPEPXKKNPJHC-QWHCGFSZSA-N 2 1 245.370 2.217 20 0 BEADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1nccs1 ZINC000223023087 384023868 /nfs/dbraw/zinc/02/38/68/384023868.db2.gz UOCGUTIMSZUAOM-AEJSXWLSSA-N 2 1 225.361 2.064 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000069627034 384051311 /nfs/dbraw/zinc/05/13/11/384051311.db2.gz ACIPRISQWRHXBB-ZYHUDNBSSA-N 2 1 224.373 2.307 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccccn1 ZINC000643547223 384033961 /nfs/dbraw/zinc/03/39/61/384033961.db2.gz BQLTWIGOUQOCRZ-OLZOCXBDSA-N 2 1 245.370 2.407 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000335917833 384125375 /nfs/dbraw/zinc/12/53/75/384125375.db2.gz CKGRKEUNBVXZFL-CHWSQXEVSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746517 384125678 /nfs/dbraw/zinc/12/56/78/384125678.db2.gz VZUHFPVHQGQLGI-FUNVUKJBSA-N 2 1 210.365 2.247 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000335917834 384126201 /nfs/dbraw/zinc/12/62/01/384126201.db2.gz CKGRKEUNBVXZFL-OLZOCXBDSA-N 2 1 224.392 2.495 20 0 BEADMP Cc1cccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000158040728 384177405 /nfs/dbraw/zinc/17/74/05/384177405.db2.gz KWRMWEWFBDJOLH-KGLIPLIRSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cccc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)[nH+]1 ZINC000158040728 384177413 /nfs/dbraw/zinc/17/74/13/384177413.db2.gz KWRMWEWFBDJOLH-KGLIPLIRSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)[nH+]1 ZINC000158040728 384177416 /nfs/dbraw/zinc/17/74/16/384177416.db2.gz KWRMWEWFBDJOLH-KGLIPLIRSA-N 2 1 245.370 2.311 20 0 BEADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccsc1 ZINC000050338252 384194173 /nfs/dbraw/zinc/19/41/73/384194173.db2.gz NBQKENLXUXEPOU-JTQLQIEISA-N 2 1 212.362 2.350 20 0 BEADMP C(C1CCC1)[N@@H+]1CCC[C@@H]1CN1CCCC1 ZINC000173620885 384241407 /nfs/dbraw/zinc/24/14/07/384241407.db2.gz JEIWIGOERIEYFD-CQSZACIVSA-N 2 1 222.376 2.347 20 0 BEADMP CSCCC[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000173527597 384225743 /nfs/dbraw/zinc/22/57/43/384225743.db2.gz FXDIFAZOSYUKDS-RYUDHWBXSA-N 2 1 230.421 2.154 20 0 BEADMP CSCCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000173527597 384225748 /nfs/dbraw/zinc/22/57/48/384225748.db2.gz FXDIFAZOSYUKDS-RYUDHWBXSA-N 2 1 230.421 2.154 20 0 BEADMP CSCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000173527597 384225754 /nfs/dbraw/zinc/22/57/54/384225754.db2.gz FXDIFAZOSYUKDS-RYUDHWBXSA-N 2 1 230.421 2.154 20 0 BEADMP CSCCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000173527597 384225759 /nfs/dbraw/zinc/22/57/59/384225759.db2.gz FXDIFAZOSYUKDS-RYUDHWBXSA-N 2 1 230.421 2.154 20 0 BEADMP CSCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000173527597 384225765 /nfs/dbraw/zinc/22/57/65/384225765.db2.gz FXDIFAZOSYUKDS-RYUDHWBXSA-N 2 1 230.421 2.154 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000082645633 384253850 /nfs/dbraw/zinc/25/38/50/384253850.db2.gz YACRAAHCUORGQV-YPMHNXCESA-N 2 1 210.365 2.236 20 0 BEADMP COC1(C[N@H+]2CCC[C@H](CC[NH3+])C2)CCCC1 ZINC000319509348 384256604 /nfs/dbraw/zinc/25/66/04/384256604.db2.gz XHWZKAIHUANNJL-CYBMUJFWSA-N 2 1 240.391 2.006 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000228471959 384258426 /nfs/dbraw/zinc/25/84/26/384258426.db2.gz CJUGFXOBRUGASE-NWANDNLSSA-N 2 1 248.345 2.385 20 0 BEADMP CC(C)C[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000187567051 384272356 /nfs/dbraw/zinc/27/23/56/384272356.db2.gz NLPFPIQFAZDXEH-CYBMUJFWSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000179422367 384289979 /nfs/dbraw/zinc/28/99/79/384289979.db2.gz VZPCDRCBSABSDQ-LBPRGKRZSA-N 2 1 210.365 2.345 20 0 BEADMP CCC[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000179422367 384289988 /nfs/dbraw/zinc/28/99/88/384289988.db2.gz VZPCDRCBSABSDQ-LBPRGKRZSA-N 2 1 210.365 2.345 20 0 BEADMP CCC[NH+](CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000179422367 384290002 /nfs/dbraw/zinc/29/00/02/384290002.db2.gz VZPCDRCBSABSDQ-LBPRGKRZSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)CO1 ZINC000401975651 384355604 /nfs/dbraw/zinc/35/56/04/384355604.db2.gz TYHVZPFCXWSQAL-MCIONIFRSA-N 2 1 240.391 2.018 20 0 BEADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)CC(C)(C)C ZINC000120497813 384357897 /nfs/dbraw/zinc/35/78/97/384357897.db2.gz FIXNWEYKALBDPE-GFCCVEGCSA-N 2 1 212.381 2.449 20 0 BEADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)CC(C)(C)C ZINC000120497813 384357902 /nfs/dbraw/zinc/35/79/02/384357902.db2.gz FIXNWEYKALBDPE-GFCCVEGCSA-N 2 1 212.381 2.449 20 0 BEADMP C[NH+](CC[C@H]1CCC[N@H+]1C)CC(C)(C)C ZINC000120497813 384357908 /nfs/dbraw/zinc/35/79/08/384357908.db2.gz FIXNWEYKALBDPE-GFCCVEGCSA-N 2 1 212.381 2.449 20 0 BEADMP CC(C)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835953 384358043 /nfs/dbraw/zinc/35/80/43/384358043.db2.gz IXGJBPWTMYVJNX-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)c(C)c1 ZINC000235648877 384361238 /nfs/dbraw/zinc/36/12/38/384361238.db2.gz PVDVYHSYHAJGHT-JSGCOSHPSA-N 2 1 218.344 2.082 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)c(C)c1 ZINC000235648877 384361246 /nfs/dbraw/zinc/36/12/46/384361246.db2.gz PVDVYHSYHAJGHT-JSGCOSHPSA-N 2 1 218.344 2.082 20 0 BEADMP COc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1C ZINC000569619095 384364148 /nfs/dbraw/zinc/36/41/48/384364148.db2.gz OKUMDCDACQSCHM-JSGCOSHPSA-N 2 1 248.370 2.315 20 0 BEADMP COc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1C ZINC000569619095 384364154 /nfs/dbraw/zinc/36/41/54/384364154.db2.gz OKUMDCDACQSCHM-JSGCOSHPSA-N 2 1 248.370 2.315 20 0 BEADMP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)CC1CC1 ZINC000084385210 384393133 /nfs/dbraw/zinc/39/31/33/384393133.db2.gz QSAFMYYGSGZHMB-LBPRGKRZSA-N 2 1 210.365 2.108 20 0 BEADMP CC(C)[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000084386267 384391367 /nfs/dbraw/zinc/39/13/67/384391367.db2.gz DHVUDBOQQPPAHM-STQMWFEESA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@]1(C[N@H+]2CCC[C@@H]2c2ccccn2)CC[NH2+]C1 ZINC000647513933 384428201 /nfs/dbraw/zinc/42/82/01/384428201.db2.gz VFSUKTQOSUAQAF-HUUCEWRRSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)CC(F)F ZINC000647227016 384437942 /nfs/dbraw/zinc/43/79/42/384437942.db2.gz MHPXLQQJUSHISC-QJPTWQEYSA-N 2 1 246.345 2.494 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H](C)C1(C)CC1 ZINC000122321793 384474743 /nfs/dbraw/zinc/47/47/43/384474743.db2.gz POUYLDCWXLJFKR-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)C1(C)CC1 ZINC000122321793 384474746 /nfs/dbraw/zinc/47/47/46/384474746.db2.gz POUYLDCWXLJFKR-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CC1(C)C ZINC000309568676 384527089 /nfs/dbraw/zinc/52/70/89/384527089.db2.gz MZZWRWWWEZDYFM-WCQYABFASA-N 2 1 222.376 2.273 20 0 BEADMP C[NH+]1CCC([NH2+]CC(C2CC2)C2CC2)CC1 ZINC000083894181 384542345 /nfs/dbraw/zinc/54/23/45/384542345.db2.gz NWGCRGCQKFYNEY-UHFFFAOYSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000449082834 384554374 /nfs/dbraw/zinc/55/43/74/384554374.db2.gz QEQXDSBBTJBWJZ-SNPRPXQTSA-N 2 1 248.370 2.427 20 0 BEADMP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000449082834 384554389 /nfs/dbraw/zinc/55/43/89/384554389.db2.gz QEQXDSBBTJBWJZ-SNPRPXQTSA-N 2 1 248.370 2.427 20 0 BEADMP C(C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)C1CCCC1 ZINC000643065556 384576068 /nfs/dbraw/zinc/57/60/68/384576068.db2.gz CQCKIACQCNNWOI-ZIAGYGMSSA-N 2 1 222.376 2.251 20 0 BEADMP C(C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)C1CCCC1 ZINC000643065556 384576073 /nfs/dbraw/zinc/57/60/73/384576073.db2.gz CQCKIACQCNNWOI-ZIAGYGMSSA-N 2 1 222.376 2.251 20 0 BEADMP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643066245 384579072 /nfs/dbraw/zinc/57/90/72/384579072.db2.gz LYSLUNJTMLCBDK-BFHYXJOUSA-N 2 1 224.392 2.352 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643066245 384579080 /nfs/dbraw/zinc/57/90/80/384579080.db2.gz LYSLUNJTMLCBDK-BFHYXJOUSA-N 2 1 224.392 2.352 20 0 BEADMP CC(C)[C@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000040621553 384590780 /nfs/dbraw/zinc/59/07/80/384590780.db2.gz AFXVSPFALRJPHW-QWHCGFSZSA-N 2 1 212.381 2.351 20 0 BEADMP CC[C@H]([NH2+]CCc1cccc(C)n1)[C@@H]1CCC[NH2+]1 ZINC000423085175 384565764 /nfs/dbraw/zinc/56/57/64/384565764.db2.gz JWRWWNKWWHMFPW-GJZGRUSLSA-N 2 1 247.386 2.053 20 0 BEADMP CS[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309721404 384567125 /nfs/dbraw/zinc/56/71/25/384567125.db2.gz WCJIQIRQHSKRIO-FDYHWXHSSA-N 2 1 242.432 2.200 20 0 BEADMP CC(C)COCC[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000315843989 384617463 /nfs/dbraw/zinc/61/74/63/384617463.db2.gz FTXRWCCOGYOQKM-MJBXVCDLSA-N 2 1 242.407 2.107 20 0 BEADMP CC(C)COCC[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000315843989 384617464 /nfs/dbraw/zinc/61/74/64/384617464.db2.gz FTXRWCCOGYOQKM-MJBXVCDLSA-N 2 1 242.407 2.107 20 0 BEADMP Cc1ccc(F)cc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647531440 384619715 /nfs/dbraw/zinc/61/97/15/384619715.db2.gz WYHMWVYQVFJEJP-UHFFFAOYSA-N 2 1 236.334 2.447 20 0 BEADMP CC1([NH3+])CC[NH+](Cc2cccc(F)c2)CC1 ZINC000647531372 384620911 /nfs/dbraw/zinc/62/09/11/384620911.db2.gz RJZNWESHNWDFFO-UHFFFAOYSA-N 2 1 222.307 2.139 20 0 BEADMP CC[NH2+]CCC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000564821981 384624532 /nfs/dbraw/zinc/62/45/32/384624532.db2.gz AVMBTEZDJNYGRX-GFCCVEGCSA-N 2 1 238.379 2.114 20 0 BEADMP Cc1[nH+]ccn1CCC[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000162235517 384592927 /nfs/dbraw/zinc/59/29/27/384592927.db2.gz LMXLKTUWRRAEDZ-KBPBESRZSA-N 2 1 233.359 2.314 20 0 BEADMP CCCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000124641162 384665472 /nfs/dbraw/zinc/66/54/72/384665472.db2.gz WFYLUHHYVCRMNJ-UHFFFAOYSA-N 2 1 209.337 2.314 20 0 BEADMP CCCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000124641162 384665479 /nfs/dbraw/zinc/66/54/79/384665479.db2.gz WFYLUHHYVCRMNJ-UHFFFAOYSA-N 2 1 209.337 2.314 20 0 BEADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1CCC[NH2+]C ZINC000309852653 384671244 /nfs/dbraw/zinc/67/12/44/384671244.db2.gz YQEKRGJPOBHMKI-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP C([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000403385773 384644054 /nfs/dbraw/zinc/64/40/54/384644054.db2.gz QZCKMRSNDYFGMZ-BARDWOONSA-N 2 1 248.414 2.497 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1nccs1 ZINC000086404437 384645851 /nfs/dbraw/zinc/64/58/51/384645851.db2.gz UOCGUTIMSZUAOM-LPEHRKFASA-N 2 1 225.361 2.064 20 0 BEADMP C[C@H](C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)c1ccccc1 ZINC000647534597 384646003 /nfs/dbraw/zinc/64/60/03/384646003.db2.gz RIBRHPAKEMQQKG-KBMXLJTQSA-N 2 1 244.382 2.474 20 0 BEADMP C[C@H](C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)c1ccccc1 ZINC000647534597 384646009 /nfs/dbraw/zinc/64/60/09/384646009.db2.gz RIBRHPAKEMQQKG-KBMXLJTQSA-N 2 1 244.382 2.474 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647534854 384646334 /nfs/dbraw/zinc/64/63/34/384646334.db2.gz YAAYCYPJVHIZHV-KBUPBQIOSA-N 2 1 236.403 2.497 20 0 BEADMP C([NH2+]C[C@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000403385781 384647665 /nfs/dbraw/zinc/64/76/65/384647665.db2.gz QZCKMRSNDYFGMZ-YJNKXOJESA-N 2 1 248.414 2.497 20 0 BEADMP CCC(CC)[N@@H+](CCC[NH3+])CC(C)C ZINC000086453403 384650570 /nfs/dbraw/zinc/65/05/70/384650570.db2.gz TZKHHUMJMGLIIW-UHFFFAOYSA-N 2 1 200.370 2.482 20 0 BEADMP CS[C@H](C[NH2+]C1CC[NH+](C)CC1)C(C)(C)C ZINC000309839149 384656047 /nfs/dbraw/zinc/65/60/47/384656047.db2.gz CDHGNVWOVAWSKS-GFCCVEGCSA-N 2 1 244.448 2.448 20 0 BEADMP Cc1ccsc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000125494675 384723795 /nfs/dbraw/zinc/72/37/95/384723795.db2.gz YQFBOLTZIWAPPZ-LBPRGKRZSA-N 2 1 238.400 2.440 20 0 BEADMP CC(C)C1([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000335911289 384677916 /nfs/dbraw/zinc/67/79/16/384677916.db2.gz IOMNDAUOESNFJA-VXGBXAGGSA-N 2 1 210.365 2.247 20 0 BEADMP CC(C)C1([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000335911289 384677922 /nfs/dbraw/zinc/67/79/22/384677922.db2.gz IOMNDAUOESNFJA-VXGBXAGGSA-N 2 1 210.365 2.247 20 0 BEADMP CC(F)(F)CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000357718319 384681907 /nfs/dbraw/zinc/68/19/07/384681907.db2.gz VUOHEWMHNYBVDU-WDEREUQCSA-N 2 1 232.318 2.248 20 0 BEADMP CC1(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647542820 384703704 /nfs/dbraw/zinc/70/37/04/384703704.db2.gz CKOIFMOWLOMTAG-ZIAGYGMSSA-N 2 1 236.403 2.498 20 0 BEADMP C[N@@H+](CCCC(C)(C)C)C1CC[NH2+]CC1 ZINC000300919804 384712677 /nfs/dbraw/zinc/71/26/77/384712677.db2.gz SYYNMZCQIRTWPQ-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000054081319 384730835 /nfs/dbraw/zinc/73/08/35/384730835.db2.gz AQVGAELORJIDAU-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CC(C)C ZINC000308457474 384733249 /nfs/dbraw/zinc/73/32/49/384733249.db2.gz FFHDFSNZBZLHPK-NWDGAFQWSA-N 2 1 200.370 2.384 20 0 BEADMP CC[N@@H+](CCCC[NH3+])Cc1ccccc1 ZINC000011953200 384734837 /nfs/dbraw/zinc/73/48/37/384734837.db2.gz IHNNFZLXVHEHIV-UHFFFAOYSA-N 2 1 206.333 2.247 20 0 BEADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc(F)cc(F)c1 ZINC000125628149 384738853 /nfs/dbraw/zinc/73/88/53/384738853.db2.gz VJOQNKADTYDXGW-SNVBAGLBSA-N 2 1 242.313 2.395 20 0 BEADMP Cc1cccc(C)c1CC[NH2+][C@H]1CNC[C@H](C)C1 ZINC000647549637 384746617 /nfs/dbraw/zinc/74/66/17/384746617.db2.gz KSCYUMTVCJUVAR-IUODEOHRSA-N 2 1 246.398 2.434 20 0 BEADMP Cc1cccc(C)c1CC[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC000647549637 384746624 /nfs/dbraw/zinc/74/66/24/384746624.db2.gz KSCYUMTVCJUVAR-IUODEOHRSA-N 2 1 246.398 2.434 20 0 BEADMP Cc1cccc(C)c1CC[NH2+][C@@H]1CNC[C@H](C)C1 ZINC000647549636 384748108 /nfs/dbraw/zinc/74/81/08/384748108.db2.gz KSCYUMTVCJUVAR-DOMZBBRYSA-N 2 1 246.398 2.434 20 0 BEADMP Cc1cccc(C)c1CC[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC000647549636 384748112 /nfs/dbraw/zinc/74/81/12/384748112.db2.gz KSCYUMTVCJUVAR-DOMZBBRYSA-N 2 1 246.398 2.434 20 0 BEADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000103142833 384752684 /nfs/dbraw/zinc/75/26/84/384752684.db2.gz YWLVTWWCBLNMRN-UHFFFAOYSA-N 2 1 232.371 2.460 20 0 BEADMP CC(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000375852034 384825096 /nfs/dbraw/zinc/82/50/96/384825096.db2.gz NBBOPOWNCLCSCR-MJBXVCDLSA-N 2 1 224.392 2.495 20 0 BEADMP CCCC[C@H](COC)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000163276673 384781754 /nfs/dbraw/zinc/78/17/54/384781754.db2.gz TVZCUCTWOKOXMN-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CCC1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000310013058 384784096 /nfs/dbraw/zinc/78/40/96/384784096.db2.gz JMTKCPPXYJJJGY-FKZOYECMSA-N 2 1 222.376 2.391 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000423297079 384792642 /nfs/dbraw/zinc/79/26/42/384792642.db2.gz IQRDURJDANMXHL-UPJWGTAASA-N 2 1 210.365 2.282 20 0 BEADMP CS[C@@H]1CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000309843861 384873066 /nfs/dbraw/zinc/87/30/66/384873066.db2.gz FRZJGCDKIVRGRC-ZLOUSURVSA-N 2 1 240.416 2.095 20 0 BEADMP CC1CCC([NH2+]CCC[NH+]2CCC2)CC1 ZINC000516877808 384879556 /nfs/dbraw/zinc/87/95/56/384879556.db2.gz NKQRWDORRWCYIB-UHFFFAOYSA-N 2 1 210.365 2.251 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403677727 384850535 /nfs/dbraw/zinc/85/05/35/384850535.db2.gz PLNXXFYURNBWPU-KFWWJZLASA-N 2 1 234.387 2.274 20 0 BEADMP C[C@@H](C[NH3+])C[NH2+]Cc1cc(Cl)ccc1F ZINC000258865985 384949188 /nfs/dbraw/zinc/94/91/88/384949188.db2.gz ZGOFRJNPDSAKPL-QMMMGPOBSA-N 2 1 230.714 2.164 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000049708893 384897334 /nfs/dbraw/zinc/89/73/34/384897334.db2.gz MMYZMMWCQQINKD-JSGCOSHPSA-N 2 1 218.344 2.307 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000049707620 384898479 /nfs/dbraw/zinc/89/84/79/384898479.db2.gz DJYGJKUQAAIGTJ-DGCLKSJQSA-N 2 1 234.343 2.007 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1F ZINC000049708654 384898496 /nfs/dbraw/zinc/89/84/96/384898496.db2.gz OSGWSRKFNGLUGL-ZYHUDNBSSA-N 2 1 222.307 2.137 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccccc1F ZINC000049708654 384898502 /nfs/dbraw/zinc/89/85/02/384898502.db2.gz OSGWSRKFNGLUGL-ZYHUDNBSSA-N 2 1 222.307 2.137 20 0 BEADMP CC[C@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)[C@@H]1CCOC1 ZINC000310236584 384916844 /nfs/dbraw/zinc/91/68/44/384916844.db2.gz AJENJELJLLXGHH-MJBXVCDLSA-N 2 1 242.407 2.120 20 0 BEADMP CC[C@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)[C@@H]1CCOC1 ZINC000310236584 384916848 /nfs/dbraw/zinc/91/68/48/384916848.db2.gz AJENJELJLLXGHH-MJBXVCDLSA-N 2 1 242.407 2.120 20 0 BEADMP CC[C@@H](O)C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000644522376 384927969 /nfs/dbraw/zinc/92/79/69/384927969.db2.gz QXRZLJLVOVPQAK-ZIAGYGMSSA-N 2 1 242.407 2.002 20 0 BEADMP CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)[C@@H]1CCOC1 ZINC000336677884 384930082 /nfs/dbraw/zinc/93/00/82/384930082.db2.gz ACJJZFMAPUDDDQ-KGLIPLIRSA-N 2 1 242.407 2.121 20 0 BEADMP CSCC[C@@H](C)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000164183215 384935584 /nfs/dbraw/zinc/93/55/84/384935584.db2.gz IBLBEKZCDIDESR-OLZOCXBDSA-N 2 1 244.448 2.450 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccnc1 ZINC000127758212 384942121 /nfs/dbraw/zinc/94/21/21/384942121.db2.gz OBKGKEYBUFPYDD-AEGPPILISA-N 2 1 245.370 2.359 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccnc1 ZINC000127758212 384942126 /nfs/dbraw/zinc/94/21/26/384942126.db2.gz OBKGKEYBUFPYDD-AEGPPILISA-N 2 1 245.370 2.359 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccnc1 ZINC000127757731 384943273 /nfs/dbraw/zinc/94/32/73/384943273.db2.gz OBKGKEYBUFPYDD-NWANDNLSSA-N 2 1 245.370 2.359 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccnc1 ZINC000127757731 384943280 /nfs/dbraw/zinc/94/32/80/384943280.db2.gz OBKGKEYBUFPYDD-NWANDNLSSA-N 2 1 245.370 2.359 20 0 BEADMP CCC[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000308754185 385072645 /nfs/dbraw/zinc/07/26/45/385072645.db2.gz VRCPNRKLDBKAGD-NWDGAFQWSA-N 2 1 200.370 2.493 20 0 BEADMP CCC[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000308754185 385072652 /nfs/dbraw/zinc/07/26/52/385072652.db2.gz VRCPNRKLDBKAGD-NWDGAFQWSA-N 2 1 200.370 2.493 20 0 BEADMP CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000227055208 385084875 /nfs/dbraw/zinc/08/48/75/385084875.db2.gz BTFFKLRFYNDOMV-WFASDCNBSA-N 2 1 248.370 2.254 20 0 BEADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000157114582 385079160 /nfs/dbraw/zinc/07/91/60/385079160.db2.gz LMVGBAQASXHWRH-MWLCHTKSSA-N 2 1 240.297 2.134 20 0 BEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(F)cc(F)c1 ZINC000157114582 385079167 /nfs/dbraw/zinc/07/91/67/385079167.db2.gz LMVGBAQASXHWRH-MWLCHTKSSA-N 2 1 240.297 2.134 20 0 BEADMP CC[C@H](C)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397324450 385082456 /nfs/dbraw/zinc/08/24/56/385082456.db2.gz OFGFDTAYXTZXAB-RVMXOQNASA-N 2 1 212.381 2.338 20 0 BEADMP C[N@@H+](CCCF)[C@@H]1CCC[NH+](CCCF)CC1 ZINC000156986736 385038182 /nfs/dbraw/zinc/03/81/82/385038182.db2.gz PRIPDAVVWRXXJE-CYBMUJFWSA-N 2 1 248.361 2.492 20 0 BEADMP C[NH+](CCCF)[C@@H]1CCC[N@H+](CCCF)CC1 ZINC000156986736 385038189 /nfs/dbraw/zinc/03/81/89/385038189.db2.gz PRIPDAVVWRXXJE-CYBMUJFWSA-N 2 1 248.361 2.492 20 0 BEADMP C[NH+](C)CCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000151941101 385142343 /nfs/dbraw/zinc/14/23/43/385142343.db2.gz GZVORDZBWYKYQX-CQSZACIVSA-N 2 1 248.370 2.442 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000090773017 385093280 /nfs/dbraw/zinc/09/32/80/385093280.db2.gz FOXCHWRXMNTXEQ-MBNYWOFBSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000227200527 385106614 /nfs/dbraw/zinc/10/66/14/385106614.db2.gz WAJVGTQPDLBEFU-UMVBOHGHSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccnc1 ZINC000129735726 385184583 /nfs/dbraw/zinc/18/45/83/385184583.db2.gz YSVVBMFRVOOXIN-OBJOEFQTSA-N 2 1 233.359 2.215 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccnc1 ZINC000129735726 385184590 /nfs/dbraw/zinc/18/45/90/385184590.db2.gz YSVVBMFRVOOXIN-OBJOEFQTSA-N 2 1 233.359 2.215 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccnc1 ZINC000129735523 385185015 /nfs/dbraw/zinc/18/50/15/385185015.db2.gz YSVVBMFRVOOXIN-DYEKYZERSA-N 2 1 233.359 2.215 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccnc1 ZINC000129735523 385185021 /nfs/dbraw/zinc/18/50/21/385185021.db2.gz YSVVBMFRVOOXIN-DYEKYZERSA-N 2 1 233.359 2.215 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479296 385150628 /nfs/dbraw/zinc/15/06/28/385150628.db2.gz AVRCXUDKDQWCCJ-SYQHCUMBSA-N 2 1 222.376 2.106 20 0 BEADMP CCOC[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252709043 385178521 /nfs/dbraw/zinc/17/85/21/385178521.db2.gz BWEAWHYGZOGJIB-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP CCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044533294 385208961 /nfs/dbraw/zinc/20/89/61/385208961.db2.gz HGYXWFGDEOULSL-STQMWFEESA-N 2 1 212.381 2.497 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000034264455 385275366 /nfs/dbraw/zinc/27/53/66/385275366.db2.gz FOSNQWWFKGJNOZ-AWEZNQCLSA-N 2 1 218.344 2.070 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1(C)CC1 ZINC000037485298 385302222 /nfs/dbraw/zinc/30/22/22/385302222.db2.gz BTKOKAVPNQUBFC-NEPJUHHUSA-N 2 1 222.376 2.249 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(C)c1 ZINC000228149002 385347498 /nfs/dbraw/zinc/34/74/98/385347498.db2.gz LLTNFRPXZNJWMF-DZGCQCFKSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000228152727 385348922 /nfs/dbraw/zinc/34/89/22/385348922.db2.gz PRCNGZXCSUWUII-DZGCQCFKSA-N 2 1 232.371 2.473 20 0 BEADMP CCSCC[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC000309031107 385379785 /nfs/dbraw/zinc/37/97/85/385379785.db2.gz DVALDGBJSLEBDQ-LBPRGKRZSA-N 2 1 230.421 2.061 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000309058777 385395282 /nfs/dbraw/zinc/39/52/82/385395282.db2.gz VPCPDWVNWCZAPI-FDYHWXHSSA-N 2 1 212.381 2.351 20 0 BEADMP CC(C)C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000181263086 385404481 /nfs/dbraw/zinc/40/44/81/385404481.db2.gz DKPQENVAVJJFCJ-QWHCGFSZSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)C1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000181263099 385405324 /nfs/dbraw/zinc/40/53/24/385405324.db2.gz DKPQENVAVJJFCJ-OLZOCXBDSA-N 2 1 224.392 2.495 20 0 BEADMP COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000156568056 385458230 /nfs/dbraw/zinc/45/82/30/385458230.db2.gz NRNSRKRTDPIDDY-RWMBFGLXSA-N 2 1 242.407 2.262 20 0 BEADMP COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156568056 385458233 /nfs/dbraw/zinc/45/82/33/385458233.db2.gz NRNSRKRTDPIDDY-RWMBFGLXSA-N 2 1 242.407 2.262 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000179638377 385479948 /nfs/dbraw/zinc/47/99/48/385479948.db2.gz PVGLILSOQXNTSP-NSHDSACASA-N 2 1 224.373 2.132 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000179638377 385479951 /nfs/dbraw/zinc/47/99/51/385479951.db2.gz PVGLILSOQXNTSP-NSHDSACASA-N 2 1 224.373 2.132 20 0 BEADMP COCCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000183934435 385483318 /nfs/dbraw/zinc/48/33/18/385483318.db2.gz GNTQCZBBKZQHNI-CHWSQXEVSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)(C)CCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000309290353 385515214 /nfs/dbraw/zinc/51/52/14/385515214.db2.gz PZVUZXYRHMXSLG-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)(C)CCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000309339104 385538975 /nfs/dbraw/zinc/53/89/75/385538975.db2.gz KGRPNFROILTXGK-STQMWFEESA-N 2 1 224.392 2.354 20 0 BEADMP [NH3+][C@@H]1CCC[C@H](Nc2cc[nH+]c3ccsc32)C1 ZINC000643030149 385526015 /nfs/dbraw/zinc/52/60/15/385526015.db2.gz CNVCGPMZTWOERR-ZJUUUORDSA-N 2 1 247.367 2.400 20 0 BEADMP COC(C)(C)[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000302456436 385526516 /nfs/dbraw/zinc/52/65/16/385526516.db2.gz OVENEFPLUTZTBF-LLVKDONJSA-N 2 1 240.391 2.016 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000309448427 385588862 /nfs/dbraw/zinc/58/88/62/385588862.db2.gz LXEZGRCOXXTEOL-CMPLNLGQSA-N 2 1 221.348 2.216 20 0 BEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccnc1 ZINC000181656255 385592496 /nfs/dbraw/zinc/59/24/96/385592496.db2.gz NQQONUPJSLRVTI-JSGCOSHPSA-N 2 1 233.359 2.217 20 0 BEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccnc1 ZINC000181656255 385592499 /nfs/dbraw/zinc/59/24/99/385592499.db2.gz NQQONUPJSLRVTI-JSGCOSHPSA-N 2 1 233.359 2.217 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000394837502 385617465 /nfs/dbraw/zinc/61/74/65/385617465.db2.gz RXGYFVCGPVGNJD-KBXIAJHMSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000394837502 385617470 /nfs/dbraw/zinc/61/74/70/385617470.db2.gz RXGYFVCGPVGNJD-KBXIAJHMSA-N 2 1 236.403 2.497 20 0 BEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@]21C)C1CC1 ZINC000337361314 385619444 /nfs/dbraw/zinc/61/94/44/385619444.db2.gz IUWNIEIHUZVYTA-GBJTYRQASA-N 2 1 236.403 2.495 20 0 BEADMP C[C@H](CCC1CC1)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000336734754 385684359 /nfs/dbraw/zinc/68/43/59/385684359.db2.gz HNONZADLYJLQME-RISCZKNCSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CC1CCOCC1 ZINC000414854172 385693395 /nfs/dbraw/zinc/69/33/95/385693395.db2.gz UODHHMAGSDLUBW-TZMCWYRMSA-N 2 1 242.407 2.155 20 0 BEADMP CC(C)OC[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000309579221 385711449 /nfs/dbraw/zinc/71/14/49/385711449.db2.gz PWEWSLGBHJYDJE-CYBMUJFWSA-N 2 1 230.396 2.120 20 0 BEADMP CC[N@@H+](CCCn1ccnc1C)C(C)C ZINC000270712261 385732070 /nfs/dbraw/zinc/73/20/70/385732070.db2.gz ZYEXMQOLYMXPEV-UHFFFAOYSA-N 2 1 209.337 2.312 20 0 BEADMP CC[N@H+](CCCn1cc[nH+]c1C)C(C)C ZINC000270712261 385732075 /nfs/dbraw/zinc/73/20/75/385732075.db2.gz ZYEXMQOLYMXPEV-UHFFFAOYSA-N 2 1 209.337 2.312 20 0 BEADMP CC[N@@H+](CCCn1cc[nH+]c1C)C(C)C ZINC000270712261 385732082 /nfs/dbraw/zinc/73/20/82/385732082.db2.gz ZYEXMQOLYMXPEV-UHFFFAOYSA-N 2 1 209.337 2.312 20 0 BEADMP CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185709240 385736475 /nfs/dbraw/zinc/73/64/75/385736475.db2.gz AGFMLAUXFKWXCB-NWDGAFQWSA-N 2 1 210.365 2.249 20 0 BEADMP Clc1ccsc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414859239 385740988 /nfs/dbraw/zinc/74/09/88/385740988.db2.gz TVBGOXWNQKCPLR-VIFPVBQESA-N 2 1 244.791 2.491 20 0 BEADMP C[C@H]([NH2+]Cc1ccccc1F)[C@H]1CCC[NH2+]C1 ZINC000414860403 385748356 /nfs/dbraw/zinc/74/83/56/385748356.db2.gz VGUTWYRWIGUHMS-RYUDHWBXSA-N 2 1 236.334 2.303 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCC2CC2)C1 ZINC000186255261 385751645 /nfs/dbraw/zinc/75/16/45/385751645.db2.gz HRAVQMJECHFJET-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP C(CC1CCCCCC1)[NH2+][C@H]1CC[NH2+]C1 ZINC000414864125 385766174 /nfs/dbraw/zinc/76/61/74/385766174.db2.gz BIJNTWCBLKLICG-ZDUSSCGKSA-N 2 1 210.365 2.298 20 0 BEADMP C[C@H](CCC(F)(F)F)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414866232 385774022 /nfs/dbraw/zinc/77/40/22/385774022.db2.gz MRQZLSLYRHKZNB-BDAKNGLRSA-N 2 1 224.270 2.059 20 0 BEADMP c1coc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000271200616 385804145 /nfs/dbraw/zinc/80/41/45/385804145.db2.gz QDSSKGODOAOWKW-UHFFFAOYSA-N 2 1 231.299 2.382 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000271346849 385819941 /nfs/dbraw/zinc/81/99/41/385819941.db2.gz XVOVMQNCEHJZQP-VXGBXAGGSA-N 2 1 207.321 2.174 20 0 BEADMP C[C@@H](C[NH3+])[NH2+]CCCc1c(F)cccc1Cl ZINC000414948807 385820383 /nfs/dbraw/zinc/82/03/83/385820383.db2.gz YCQALTPXGBCFDJ-VIFPVBQESA-N 2 1 244.741 2.349 20 0 BEADMP C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)C[NH3+] ZINC000414948790 385820741 /nfs/dbraw/zinc/82/07/41/385820741.db2.gz YBOMVOGMCMAVRR-SFYZADRCSA-N 2 1 212.259 2.044 20 0 BEADMP Cc1sccc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000294246911 385828069 /nfs/dbraw/zinc/82/80/69/385828069.db2.gz AELMVDDNDOLXIX-BETUJISGSA-N 2 1 236.384 2.050 20 0 BEADMP Cc1sccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000294246911 385828072 /nfs/dbraw/zinc/82/80/72/385828072.db2.gz AELMVDDNDOLXIX-BETUJISGSA-N 2 1 236.384 2.050 20 0 BEADMP Cc1sccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000294246911 385828079 /nfs/dbraw/zinc/82/80/79/385828079.db2.gz AELMVDDNDOLXIX-BETUJISGSA-N 2 1 236.384 2.050 20 0 BEADMP CCC[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)OC ZINC000638115760 385851952 /nfs/dbraw/zinc/85/19/52/385851952.db2.gz FYYOFSZPRHDMAM-BFHYXJOUSA-N 2 1 242.407 2.216 20 0 BEADMP CCC[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)OC ZINC000638115760 385851955 /nfs/dbraw/zinc/85/19/55/385851955.db2.gz FYYOFSZPRHDMAM-BFHYXJOUSA-N 2 1 242.407 2.216 20 0 BEADMP CCC[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC000638115760 385851958 /nfs/dbraw/zinc/85/19/58/385851958.db2.gz FYYOFSZPRHDMAM-BFHYXJOUSA-N 2 1 242.407 2.216 20 0 BEADMP CCC[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)OC ZINC000638115760 385851961 /nfs/dbraw/zinc/85/19/61/385851961.db2.gz FYYOFSZPRHDMAM-BFHYXJOUSA-N 2 1 242.407 2.216 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414878036 385929210 /nfs/dbraw/zinc/92/92/10/385929210.db2.gz MZLGZHROSOYISR-HIFRSBDPSA-N 2 1 247.386 2.340 20 0 BEADMP [NH3+]C1(C[NH2+]C/C=C\c2ccccc2)CCC1 ZINC000414876404 385907121 /nfs/dbraw/zinc/90/71/21/385907121.db2.gz DIEIBRLKNKTBQJ-YWEYNIOJSA-N 2 1 216.328 2.171 20 0 BEADMP C1CC1[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414871787 385860472 /nfs/dbraw/zinc/86/04/72/385860472.db2.gz VOOKHAYETJCTOK-MCIONIFRSA-N 2 1 222.376 2.297 20 0 BEADMP CC[C@H](C[NH2+]C[C@H]1C[C@@H]1C)[NH+]1CCCC1 ZINC000336741660 385867235 /nfs/dbraw/zinc/86/72/35/385867235.db2.gz VYDUXGNLDQENJE-YNEHKIRRSA-N 2 1 210.365 2.106 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000337990050 385870142 /nfs/dbraw/zinc/87/01/42/385870142.db2.gz SCMPCQRTMJSBTG-GJZGRUSLSA-N 2 1 234.387 2.417 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337990048 385870432 /nfs/dbraw/zinc/87/04/32/385870432.db2.gz SCMPCQRTMJSBTG-CABCVRRESA-N 2 1 234.387 2.417 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000335020804 385980752 /nfs/dbraw/zinc/98/07/52/385980752.db2.gz BDWKYJJUIGMLKA-HIFRSBDPSA-N 2 1 241.338 2.204 20 0 BEADMP Cc1cc(N)cc(C[NH2+]C[C@@H]([NH3+])CC(C)C)c1 ZINC000414972397 385983427 /nfs/dbraw/zinc/98/34/27/385983427.db2.gz XWCWUGBLHQSSPD-AWEZNQCLSA-N 2 1 235.375 2.040 20 0 BEADMP Cc1cc(N)cc(C[NH2+]C[C@H]([NH3+])CC(C)C)c1 ZINC000414972398 385983470 /nfs/dbraw/zinc/98/34/70/385983470.db2.gz XWCWUGBLHQSSPD-CQSZACIVSA-N 2 1 235.375 2.040 20 0 BEADMP CCOC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000189346756 385985109 /nfs/dbraw/zinc/98/51/09/385985109.db2.gz DSPFWPZGWGXGBQ-MCIONIFRSA-N 2 1 242.407 2.120 20 0 BEADMP CCOC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000189346756 385985113 /nfs/dbraw/zinc/98/51/13/385985113.db2.gz DSPFWPZGWGXGBQ-MCIONIFRSA-N 2 1 242.407 2.120 20 0 BEADMP Cc1ccc(C)c(C[NH2+]CC2([NH3+])CCC2)c1 ZINC000342123737 385931873 /nfs/dbraw/zinc/93/18/73/385931873.db2.gz CPLASOQFRNUCTB-UHFFFAOYSA-N 2 1 218.344 2.274 20 0 BEADMP Cc1cnccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000294989537 385935380 /nfs/dbraw/zinc/93/53/80/385935380.db2.gz YAVGFLZJNVHFLG-UHFFFAOYSA-N 2 1 247.386 2.164 20 0 BEADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(F)c(F)c1 ZINC000342139323 385935417 /nfs/dbraw/zinc/93/54/17/385935417.db2.gz PXFHFHNSCOTDJU-VIFPVBQESA-N 2 1 240.297 2.497 20 0 BEADMP CC[N@H+](CC[NH2+][C@H](C)[C@H]1C[C@@H]1C)C(C)C ZINC000414080090 385948990 /nfs/dbraw/zinc/94/89/90/385948990.db2.gz SRMMWHORSFWPKB-XQQFMLRXSA-N 2 1 212.381 2.351 20 0 BEADMP CC[N@@H+](CC[NH2+][C@H](C)[C@H]1C[C@@H]1C)C(C)C ZINC000414080090 385948995 /nfs/dbraw/zinc/94/89/95/385948995.db2.gz SRMMWHORSFWPKB-XQQFMLRXSA-N 2 1 212.381 2.351 20 0 BEADMP Cn1cccc1[C@@H]1CCC[N@H+]1CCn1ccnc1 ZINC000272998537 385958313 /nfs/dbraw/zinc/95/83/13/385958313.db2.gz RRFUEAPOUSQYGC-AWEZNQCLSA-N 2 1 244.342 2.059 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](CC)CC1CC1 ZINC000338298085 385960549 /nfs/dbraw/zinc/96/05/49/385960549.db2.gz YSTUYJSHDGPBCJ-UHFFFAOYSA-N 2 1 212.381 2.450 20 0 BEADMP CCOc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000414880285 385964638 /nfs/dbraw/zinc/96/46/38/385964638.db2.gz JKWIPLLBEPBGER-UHFFFAOYSA-N 2 1 234.343 2.056 20 0 BEADMP CCCOc1cccc(C[NH2+]CC2([NH3+])CCC2)c1 ZINC000414882048 386002193 /nfs/dbraw/zinc/00/21/93/386002193.db2.gz LQFCISAEXRAQGX-UHFFFAOYSA-N 2 1 248.370 2.446 20 0 BEADMP COCC[C@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000345146730 386012688 /nfs/dbraw/zinc/01/26/88/386012688.db2.gz BSMFEWGHWCJZSG-MELADBBJSA-N 2 1 242.407 2.264 20 0 BEADMP COCC[C@H](C)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000345146730 386012692 /nfs/dbraw/zinc/01/26/92/386012692.db2.gz BSMFEWGHWCJZSG-MELADBBJSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]C/C=C/c1ccccc1OC ZINC000414976291 386015613 /nfs/dbraw/zinc/01/56/13/386015613.db2.gz HXAYDWSJXPTKOR-CFNZNRNTSA-N 2 1 234.343 2.035 20 0 BEADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000414170854 386015820 /nfs/dbraw/zinc/01/58/20/386015820.db2.gz CLEMYGLHPYKZFM-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP COCCC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414201710 386036744 /nfs/dbraw/zinc/03/67/44/386036744.db2.gz YIGAOKKZAOLQSX-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2ccc(Cl)c(F)c2)CCC1 ZINC000414884407 386041034 /nfs/dbraw/zinc/04/10/34/386041034.db2.gz NZUIFJITKDLZSN-UHFFFAOYSA-N 2 1 242.725 2.450 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000414164632 386048504 /nfs/dbraw/zinc/04/85/04/386048504.db2.gz BAHKDCPKVUCVRU-YIYPIFLZSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000414164632 386048505 /nfs/dbraw/zinc/04/85/05/386048505.db2.gz BAHKDCPKVUCVRU-YIYPIFLZSA-N 2 1 224.392 2.493 20 0 BEADMP C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cscn1 ZINC000334432468 386049547 /nfs/dbraw/zinc/04/95/47/386049547.db2.gz WVYUERJSKXESID-IUCAKERBSA-N 2 1 248.355 2.074 20 0 BEADMP Cc1cccc(CC[C@H](C)[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000414885182 386053758 /nfs/dbraw/zinc/05/37/58/386053758.db2.gz ORZGMHQRULMLFI-ZFWWWQNUSA-N 2 1 232.371 2.268 20 0 BEADMP F[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000414291492 386102066 /nfs/dbraw/zinc/10/20/66/386102066.db2.gz UKOXHEIBSBABER-AAVRWANBSA-N 2 1 240.366 2.484 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000414981758 386068803 /nfs/dbraw/zinc/06/88/03/386068803.db2.gz BZWJZLZCDYPPHL-CQSZACIVSA-N 2 1 243.354 2.370 20 0 BEADMP C[C@@H](CCc1ccccc1F)[NH2+][C@H]1CC[NH2+]C1 ZINC000414886484 386074448 /nfs/dbraw/zinc/07/44/48/386074448.db2.gz PZFWXWJVPNEQKU-AAEUAGOBSA-N 2 1 236.334 2.098 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CC2(C)C)[C@H](C)C1 ZINC000414221861 386075846 /nfs/dbraw/zinc/07/58/46/386075846.db2.gz MUAGHNVKEZFJBD-UTUOFQBUSA-N 2 1 210.365 2.105 20 0 BEADMP C1CC1[C@H]1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000414886553 386078131 /nfs/dbraw/zinc/07/81/31/386078131.db2.gz HLQWSKKLQKDFLP-MJBXVCDLSA-N 2 1 222.376 2.297 20 0 BEADMP CCCc1cccc(C[NH2+]C[C@@H]([NH3+])CC)c1 ZINC000414984850 386087417 /nfs/dbraw/zinc/08/74/17/386087417.db2.gz GXPMZENHGAWRMX-AWEZNQCLSA-N 2 1 220.360 2.466 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000414985674 386098886 /nfs/dbraw/zinc/09/88/86/386098886.db2.gz WMKNQBBGSSGBGK-CQSZACIVSA-N 2 1 243.354 2.370 20 0 BEADMP c1ccc(C[C@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647876844 386146613 /nfs/dbraw/zinc/14/66/13/386146613.db2.gz BCUXBKUZSJYEHB-HZPDHXFCSA-N 2 1 244.382 2.161 20 0 BEADMP CC(C)[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000414677457 386157161 /nfs/dbraw/zinc/15/71/61/386157161.db2.gz OVADFTHQSJGXPT-NEPJUHHUSA-N 2 1 210.365 2.247 20 0 BEADMP COc1ccccc1C[C@@H]1CCC[N@H+]1CCC[NH3+] ZINC000414683805 386167721 /nfs/dbraw/zinc/16/77/21/386167721.db2.gz BXTRAVWZWYWANS-AWEZNQCLSA-N 2 1 248.370 2.051 20 0 BEADMP CC[C@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000414894256 386171183 /nfs/dbraw/zinc/17/11/83/386171183.db2.gz SQEJTPZAELNHKX-AVGNSLFASA-N 2 1 210.365 2.297 20 0 BEADMP [NH3+]CCC[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000414685951 386174000 /nfs/dbraw/zinc/17/40/00/386174000.db2.gz FJBBFDKQJKUQMZ-HNNXBMFYSA-N 2 1 230.355 2.487 20 0 BEADMP CC(C)Oc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000414895320 386184112 /nfs/dbraw/zinc/18/41/12/386184112.db2.gz NAMCHBRDVVYNKK-HNNXBMFYSA-N 2 1 248.370 2.301 20 0 BEADMP C[C@H]1C[N@H+](C)C[C@H]1NC1(c2ccc(F)cc2)CC1 ZINC000334466108 386126612 /nfs/dbraw/zinc/12/66/12/386126612.db2.gz CYSUPIYGPNLAMM-SMDDNHRTSA-N 2 1 248.345 2.355 20 0 BEADMP C[C@H]1C[N@@H+](C)C[C@H]1NC1(c2ccc(F)cc2)CC1 ZINC000334466108 386126616 /nfs/dbraw/zinc/12/66/16/386126616.db2.gz CYSUPIYGPNLAMM-SMDDNHRTSA-N 2 1 248.345 2.355 20 0 BEADMP Cc1ccccc1[C@H]1CCC[N@H+]1CCC[NH3+] ZINC000414669957 386134292 /nfs/dbraw/zinc/13/42/92/386134292.db2.gz CHAOAULEQAIYDW-CQSZACIVSA-N 2 1 218.344 2.481 20 0 BEADMP CC(C)[N@H+](CCC[NH3+])Cc1ccccc1F ZINC000414669998 386134881 /nfs/dbraw/zinc/13/48/81/386134881.db2.gz CJLPRDZFYANUBL-UHFFFAOYSA-N 2 1 224.323 2.385 20 0 BEADMP CC(C)[N@@H+](CCC[NH3+])Cc1ccccc1F ZINC000414669998 386134885 /nfs/dbraw/zinc/13/48/85/386134885.db2.gz CJLPRDZFYANUBL-UHFFFAOYSA-N 2 1 224.323 2.385 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414344288 386136280 /nfs/dbraw/zinc/13/62/80/386136280.db2.gz ROZOWDLSTJMVRP-FVCCEPFGSA-N 2 1 234.343 2.065 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414344288 386136281 /nfs/dbraw/zinc/13/62/81/386136281.db2.gz ROZOWDLSTJMVRP-FVCCEPFGSA-N 2 1 234.343 2.065 20 0 BEADMP c1ccc(C[C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647874683 386142814 /nfs/dbraw/zinc/14/28/14/386142814.db2.gz MQURZDAIBZDRQO-CVEARBPZSA-N 2 1 244.382 2.303 20 0 BEADMP Cc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1C ZINC000414896529 386203381 /nfs/dbraw/zinc/20/33/81/386203381.db2.gz PERUKICCCRSUIP-CQSZACIVSA-N 2 1 218.344 2.130 20 0 BEADMP CC[C@](C)([NH2+]CCC[NH3+])c1nc(C)cs1 ZINC000414700576 386207819 /nfs/dbraw/zinc/20/78/19/386207819.db2.gz GFJXGWNIQVSCTJ-NSHDSACASA-N 2 1 227.377 2.015 20 0 BEADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CCC[NH3+] ZINC000414702799 386209870 /nfs/dbraw/zinc/20/98/70/386209870.db2.gz LXCUNFJNPDJMBZ-TZMCWYRMSA-N 2 1 218.344 2.213 20 0 BEADMP [NH3+][C@@H](C[NH2+]Cc1cccc2cccnc21)C1CC1 ZINC000414897805 386213070 /nfs/dbraw/zinc/21/30/70/386213070.db2.gz RYECUAVLSHQSCZ-AWEZNQCLSA-N 2 1 241.338 2.062 20 0 BEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000131759970 386214842 /nfs/dbraw/zinc/21/48/42/386214842.db2.gz OXGZFWVRIBTNJD-TZMCWYRMSA-N 2 1 244.382 2.344 20 0 BEADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CCC[NH3+] ZINC000414707053 386216748 /nfs/dbraw/zinc/21/67/48/386216748.db2.gz NJOIFMFQZSCKFU-OCCSQVGLSA-N 2 1 218.344 2.213 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000647882004 386217355 /nfs/dbraw/zinc/21/73/55/386217355.db2.gz ARCYLVWUUCBSHD-CQSZACIVSA-N 2 1 234.343 2.139 20 0 BEADMP CC[C@@H](C[N@H+]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000347028710 386220789 /nfs/dbraw/zinc/22/07/89/386220789.db2.gz VWDBSXWWFHBUOT-KGLIPLIRSA-N 2 1 232.371 2.461 20 0 BEADMP CC[C@@H](C[N@H+]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000347028708 386220942 /nfs/dbraw/zinc/22/09/42/386220942.db2.gz VWDBSXWWFHBUOT-KBPBESRZSA-N 2 1 232.371 2.461 20 0 BEADMP [NH3+]CCC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000414708641 386225338 /nfs/dbraw/zinc/22/53/38/386225338.db2.gz QGSPBAKFTQZRJI-ZDUSSCGKSA-N 2 1 236.334 2.039 20 0 BEADMP CC[C@H](C)[C@H](C)[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647884520 386260256 /nfs/dbraw/zinc/26/02/56/386260256.db2.gz ZECYVXSBODGPAU-RWMBFGLXSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)c1ccccn1 ZINC000160829226 386230251 /nfs/dbraw/zinc/23/02/51/386230251.db2.gz MVKFBWYUMQVBAA-UPJWGTAASA-N 2 1 233.359 2.263 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000347117879 386234505 /nfs/dbraw/zinc/23/45/05/386234505.db2.gz XJEVGUDEFHDUBC-BAABZTOOSA-N 2 1 248.345 2.380 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000347117879 386234506 /nfs/dbraw/zinc/23/45/06/386234506.db2.gz XJEVGUDEFHDUBC-BAABZTOOSA-N 2 1 248.345 2.380 20 0 BEADMP CC(C)c1ncc(C[N@@H+]2CC[C@@H](C[NH3+])C2)s1 ZINC000347089542 386244019 /nfs/dbraw/zinc/24/40/19/386244019.db2.gz FBUYKGMVUBCYNY-JTQLQIEISA-N 2 1 239.388 2.047 20 0 BEADMP CC(C)c1ncc(C[N@H+]2CC[C@@H](C[NH3+])C2)s1 ZINC000347089542 386244024 /nfs/dbraw/zinc/24/40/24/386244024.db2.gz FBUYKGMVUBCYNY-JTQLQIEISA-N 2 1 239.388 2.047 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC000415003359 386255806 /nfs/dbraw/zinc/25/58/06/386255806.db2.gz FVSTXYVOKXASRJ-JEXRQVMISA-N 2 1 204.317 2.025 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+]CCC1CCOCC1 ZINC000310519303 386196564 /nfs/dbraw/zinc/19/65/64/386196564.db2.gz WFBRHFICQVYFQI-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCSC(C)C)C1 ZINC000336663029 386281405 /nfs/dbraw/zinc/28/14/05/386281405.db2.gz AGRDFTLLEZUWOB-CYBMUJFWSA-N 2 1 244.448 2.402 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCSC(C)C)C1 ZINC000336663029 386281411 /nfs/dbraw/zinc/28/14/11/386281411.db2.gz AGRDFTLLEZUWOB-CYBMUJFWSA-N 2 1 244.448 2.402 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCSC(C)C)C1 ZINC000336663029 386281418 /nfs/dbraw/zinc/28/14/18/386281418.db2.gz AGRDFTLLEZUWOB-CYBMUJFWSA-N 2 1 244.448 2.402 20 0 BEADMP Fc1ccc2c(c1)CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000335263379 386293077 /nfs/dbraw/zinc/29/30/77/386293077.db2.gz DMYXVPYDJSIAHI-GFCCVEGCSA-N 2 1 248.345 2.183 20 0 BEADMP Fc1ccc2c(c1)CC[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000335263379 386293079 /nfs/dbraw/zinc/29/30/79/386293079.db2.gz DMYXVPYDJSIAHI-GFCCVEGCSA-N 2 1 248.345 2.183 20 0 BEADMP CCC[C@@]1(C)CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647886126 386294108 /nfs/dbraw/zinc/29/41/08/386294108.db2.gz XKWLNKGAINCQJF-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414737035 386305970 /nfs/dbraw/zinc/30/59/70/386305970.db2.gz IFTNPZXSIFWRBR-RQJABVFESA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+](C)CC[NH2+]C(C)(C)C)C1 ZINC000414737885 386316365 /nfs/dbraw/zinc/31/63/65/386316365.db2.gz IZECIURFSFURBP-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1CC[C@@H]([N@@H+](C)CC[NH2+]C(C)(C)C)C1 ZINC000414737885 386316369 /nfs/dbraw/zinc/31/63/69/386316369.db2.gz IZECIURFSFURBP-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP Cc1ccncc1C[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414738295 386316687 /nfs/dbraw/zinc/31/66/87/386316687.db2.gz JAWYYYCAMWOYLV-ZIAGYGMSSA-N 2 1 247.386 2.210 20 0 BEADMP Cc1ccc(F)cc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000335260642 386317850 /nfs/dbraw/zinc/31/78/50/386317850.db2.gz NRWBONLFXOLAOE-SMDDNHRTSA-N 2 1 236.334 2.364 20 0 BEADMP c1cc2c(s1)CCC[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000647884609 386263564 /nfs/dbraw/zinc/26/35/64/386263564.db2.gz OBUXZNSJBCMYEF-LLVKDONJSA-N 2 1 236.384 2.106 20 0 BEADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC1CC1 ZINC000336652058 386265737 /nfs/dbraw/zinc/26/57/37/386265737.db2.gz WFKANKVNJCPTMR-CYBMUJFWSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC1CC1 ZINC000336652058 386265741 /nfs/dbraw/zinc/26/57/41/386265741.db2.gz WFKANKVNJCPTMR-CYBMUJFWSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC1CC1 ZINC000336652058 386265744 /nfs/dbraw/zinc/26/57/44/386265744.db2.gz WFKANKVNJCPTMR-CYBMUJFWSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647884997 386271725 /nfs/dbraw/zinc/27/17/25/386271725.db2.gz VJZIPQPXLXQQED-ZOBORPQBSA-N 2 1 222.376 2.249 20 0 BEADMP CC(C)C[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647888167 386341952 /nfs/dbraw/zinc/34/19/52/386341952.db2.gz VEMHKBDLASNELL-KGLIPLIRSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)C[C@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647888168 386341986 /nfs/dbraw/zinc/34/19/86/386341986.db2.gz VEMHKBDLASNELL-UONOGXRCSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1Cc2ccccc2C[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647888079 386344743 /nfs/dbraw/zinc/34/47/43/386344743.db2.gz JXJPGAKMBMLJAO-OLZOCXBDSA-N 2 1 230.355 2.043 20 0 BEADMP C[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647888078 386345463 /nfs/dbraw/zinc/34/54/63/386345463.db2.gz JXJPGAKMBMLJAO-CHWSQXEVSA-N 2 1 230.355 2.043 20 0 BEADMP Cc1cc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc2cccnc12 ZINC000415007219 386354379 /nfs/dbraw/zinc/35/43/79/386354379.db2.gz CKLDMSHDABSCBD-NWDGAFQWSA-N 2 1 243.354 2.369 20 0 BEADMP Cc1cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc2cccnc12 ZINC000415007223 386355074 /nfs/dbraw/zinc/35/50/74/386355074.db2.gz CKLDMSHDABSCBD-RYUDHWBXSA-N 2 1 243.354 2.369 20 0 BEADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647889349 386360749 /nfs/dbraw/zinc/36/07/49/386360749.db2.gz JBTNKLCXSKJPCF-IJEWVQPXSA-N 2 1 244.382 2.474 20 0 BEADMP CC(C)C[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647890130 386367056 /nfs/dbraw/zinc/36/70/56/386367056.db2.gz TWIFOQDGLBBYHH-KBPBESRZSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCC[NH3+] ZINC000414740232 386330419 /nfs/dbraw/zinc/33/04/19/386330419.db2.gz JRCHLIUSXOGVSI-ZFWWWQNUSA-N 2 1 232.371 2.288 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCc3ccccc3)C[C@@H]21 ZINC000230045712 386336592 /nfs/dbraw/zinc/33/65/92/386336592.db2.gz JJPZCAXYXGHNLE-HRCADAONSA-N 2 1 244.382 2.288 20 0 BEADMP CC[C@H]1C[C@H](C)C[N@@H+]1CC[NH2+]C(C)(C)C ZINC000399179065 386437068 /nfs/dbraw/zinc/43/70/68/386437068.db2.gz RDGSDZLJPKLUTN-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H]1C[C@H](C)C[N@H+]1CC[NH2+]C(C)(C)C ZINC000399179065 386437074 /nfs/dbraw/zinc/43/70/74/386437074.db2.gz RDGSDZLJPKLUTN-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)COC)C[C@H]1C ZINC000527366091 386446268 /nfs/dbraw/zinc/44/62/68/386446268.db2.gz FQKANPPILBFWEV-MJBXVCDLSA-N 2 1 242.407 2.074 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)COC)C[C@H]1C ZINC000527366091 386446271 /nfs/dbraw/zinc/44/62/71/386446271.db2.gz FQKANPPILBFWEV-MJBXVCDLSA-N 2 1 242.407 2.074 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)COC)C[C@H]1C ZINC000527366091 386446274 /nfs/dbraw/zinc/44/62/74/386446274.db2.gz FQKANPPILBFWEV-MJBXVCDLSA-N 2 1 242.407 2.074 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)COC)C[C@@H]1C ZINC000527366092 386448162 /nfs/dbraw/zinc/44/81/62/386448162.db2.gz FQKANPPILBFWEV-RDBSUJKOSA-N 2 1 242.407 2.074 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)COC)C[C@@H]1C ZINC000527366092 386448168 /nfs/dbraw/zinc/44/81/68/386448168.db2.gz FQKANPPILBFWEV-RDBSUJKOSA-N 2 1 242.407 2.074 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)COC)C[C@@H]1C ZINC000527366092 386448171 /nfs/dbraw/zinc/44/81/71/386448171.db2.gz FQKANPPILBFWEV-RDBSUJKOSA-N 2 1 242.407 2.074 20 0 BEADMP COC[C@@H]1CCCC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414758746 386414522 /nfs/dbraw/zinc/41/45/22/386414522.db2.gz NHRWROCHSHRNEV-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP COC[C@@H]1CCCC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414758746 386414525 /nfs/dbraw/zinc/41/45/25/386414525.db2.gz NHRWROCHSHRNEV-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](CCCCOc2ccccc2)C1 ZINC000339409278 386415915 /nfs/dbraw/zinc/41/59/15/386415915.db2.gz FYTNTYMAZGTPPD-CQSZACIVSA-N 2 1 248.370 2.126 20 0 BEADMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000442664521 386416001 /nfs/dbraw/zinc/41/60/01/386416001.db2.gz MIVLPTMPCXHEAK-RISCZKNCSA-N 2 1 236.334 2.180 20 0 BEADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000442664521 386416007 /nfs/dbraw/zinc/41/60/07/386416007.db2.gz MIVLPTMPCXHEAK-RISCZKNCSA-N 2 1 236.334 2.180 20 0 BEADMP C[C@@H]([NH3+])C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000442664605 386419557 /nfs/dbraw/zinc/41/95/57/386419557.db2.gz MRDOPOUQMALLCF-LLVKDONJSA-N 2 1 236.334 2.385 20 0 BEADMP C[C@@H]([NH3+])C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000442664605 386419565 /nfs/dbraw/zinc/41/95/65/386419565.db2.gz MRDOPOUQMALLCF-LLVKDONJSA-N 2 1 236.334 2.385 20 0 BEADMP CC(C)[N@@H+](CC1CCC1)C[C@H]1CC[NH2+]C1 ZINC000647991648 386420015 /nfs/dbraw/zinc/42/00/15/386420015.db2.gz WFRCRPTWBKWODP-ZDUSSCGKSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCCC12CCC2 ZINC000414762663 386426000 /nfs/dbraw/zinc/42/60/00/386426000.db2.gz WKDCILUERNWBHH-GFCCVEGCSA-N 2 1 210.365 2.378 20 0 BEADMP CC[N@H+](CCn1cc[nH+]c1C)C1CCCC1 ZINC000336710509 386426944 /nfs/dbraw/zinc/42/69/44/386426944.db2.gz ZHSOVQMZBMQGKL-UHFFFAOYSA-N 2 1 221.348 2.456 20 0 BEADMP CC[N@@H+](CCn1cc[nH+]c1C)C1CCCC1 ZINC000336710509 386426950 /nfs/dbraw/zinc/42/69/50/386426950.db2.gz ZHSOVQMZBMQGKL-UHFFFAOYSA-N 2 1 221.348 2.456 20 0 BEADMP CC[C@H]1C[C@H](C)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000399164028 386427214 /nfs/dbraw/zinc/42/72/14/386427214.db2.gz LUZQSENITHRGKH-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1C[C@H](C)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000399164025 386427706 /nfs/dbraw/zinc/42/77/06/386427706.db2.gz LUZQSENITHRGKH-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@@H+](Cc1ccc2c(c1)CCO2)CC(C)(C)C[NH3+] ZINC000093873191 386429852 /nfs/dbraw/zinc/42/98/52/386429852.db2.gz KDAMSCZQPVZFQO-UHFFFAOYSA-N 2 1 248.370 2.038 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CC1(C)C ZINC000336743499 386431225 /nfs/dbraw/zinc/43/12/25/386431225.db2.gz PFZVFCINFYGTFE-XQHKEYJVSA-N 2 1 224.392 2.493 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CC1(C)C ZINC000336743499 386431231 /nfs/dbraw/zinc/43/12/31/386431231.db2.gz PFZVFCINFYGTFE-XQHKEYJVSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)(C)[NH2+]CC[N@@H+]1CCCC12CCC2 ZINC000414765204 386432043 /nfs/dbraw/zinc/43/20/43/386432043.db2.gz ZMASXTYOSNQEHF-UHFFFAOYSA-N 2 1 210.365 2.393 20 0 BEADMP CC(C)(C)[NH2+]CC[N@H+]1CCCC12CCC2 ZINC000414765204 386432048 /nfs/dbraw/zinc/43/20/48/386432048.db2.gz ZMASXTYOSNQEHF-UHFFFAOYSA-N 2 1 210.365 2.393 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414910357 386435592 /nfs/dbraw/zinc/43/55/92/386435592.db2.gz CMDICYZXJDHMCR-AAVRWANBSA-N 2 1 224.392 2.400 20 0 BEADMP C[N@H+](Cc1cc2cc(F)ccc2o1)C1CC([NH3+])C1 ZINC000414766496 386436012 /nfs/dbraw/zinc/43/60/12/386436012.db2.gz DRCSLJBJRJOJIY-UHFFFAOYSA-N 2 1 248.301 2.493 20 0 BEADMP C[N@@H+](Cc1cc2cc(F)ccc2o1)C1CC([NH3+])C1 ZINC000414766496 386436019 /nfs/dbraw/zinc/43/60/19/386436019.db2.gz DRCSLJBJRJOJIY-UHFFFAOYSA-N 2 1 248.301 2.493 20 0 BEADMP C[C@@H](C[N@@H+](C)C1CC([NH3+])C1)c1ccc(F)cc1 ZINC000414776345 386472111 /nfs/dbraw/zinc/47/21/11/386472111.db2.gz NGGBXJQCTASCKZ-FNBIGBAISA-N 2 1 236.334 2.351 20 0 BEADMP CC[C@@H]1C[N@@H+](CCCc2ccncc2)CC[C@H]1[NH3+] ZINC000647934484 386479738 /nfs/dbraw/zinc/47/97/38/386479738.db2.gz GXQUJUQYYXROGD-HUUCEWRRSA-N 2 1 247.386 2.073 20 0 BEADMP Cc1cc(C[NH2+][C@H](C)[C@H](C)[NH3+])ccc1Cl ZINC000415024153 386514170 /nfs/dbraw/zinc/51/41/70/386514170.db2.gz YCLTUNZOSPAEDJ-VHSXEESVSA-N 2 1 226.751 2.474 20 0 BEADMP c1ccc2c(c1)cccc2C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415029840 386517224 /nfs/dbraw/zinc/51/72/24/386517224.db2.gz DCSQVMLIELCHOY-ZSHCYNCHSA-N 2 1 238.334 2.147 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1C ZINC000094338839 386457586 /nfs/dbraw/zinc/45/75/86/386457586.db2.gz NWERWQIKMPZRGH-HIFRSBDPSA-N 2 1 232.371 2.473 20 0 BEADMP CCC[NH+]1CCC([NH2+]Cc2ccnc(C)c2)CC1 ZINC000391155216 386465043 /nfs/dbraw/zinc/46/50/43/386465043.db2.gz DDACRLHUVLPKTM-UHFFFAOYSA-N 2 1 247.386 2.354 20 0 BEADMP CC[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977780 386577745 /nfs/dbraw/zinc/57/77/45/386577745.db2.gz HNSXPYOXGFAIQT-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414797128 386577883 /nfs/dbraw/zinc/57/78/83/386577883.db2.gz AZNSGLNAJWDPNE-WPRPVWTQSA-N 2 1 238.297 2.434 20 0 BEADMP CC[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977779 386578998 /nfs/dbraw/zinc/57/89/98/386578998.db2.gz HNSXPYOXGFAIQT-MELADBBJSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H](CCC(F)(F)F)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414799998 386593003 /nfs/dbraw/zinc/59/30/03/386593003.db2.gz FKMOHXKESBMQOC-APPZFPTMSA-N 2 1 224.270 2.044 20 0 BEADMP C[C@H](CCc1ccsc1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414803038 386596656 /nfs/dbraw/zinc/59/66/56/386596656.db2.gz IYSOZUZHGRPCHC-ZWNOBZJWSA-N 2 1 238.400 2.396 20 0 BEADMP Cc1ccc(C)c(C[NH2+]C[C@H]([NH3+])C(C)C)c1 ZINC000414788626 386534026 /nfs/dbraw/zinc/53/40/26/386534026.db2.gz DRDLJMSEGBIMJU-AWEZNQCLSA-N 2 1 220.360 2.376 20 0 BEADMP Nc1cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)ccn1 ZINC000228053163 386535802 /nfs/dbraw/zinc/53/58/02/386535802.db2.gz BCVLDQAFDUAHQT-CHWSQXEVSA-N 2 1 231.343 2.428 20 0 BEADMP COc1ccc(C[NH2+][C@H](CN)C(C)(C)C)cc1 ZINC000415055327 386537991 /nfs/dbraw/zinc/53/79/91/386537991.db2.gz OJWWAWNEQCLOGI-CYBMUJFWSA-N 2 1 236.359 2.158 20 0 BEADMP COc1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1 ZINC000415055327 386537997 /nfs/dbraw/zinc/53/79/97/386537997.db2.gz OJWWAWNEQCLOGI-CYBMUJFWSA-N 2 1 236.359 2.158 20 0 BEADMP CC(C)(C)CC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000415059797 386540705 /nfs/dbraw/zinc/54/07/05/386540705.db2.gz ZDNCSIIKELYYPF-JTQLQIEISA-N 2 1 200.370 2.386 20 0 BEADMP Cc1ccccc1CN[C@@H](C[NH3+])C(C)(C)C ZINC000415059707 386541790 /nfs/dbraw/zinc/54/17/90/386541790.db2.gz VLZYCIMKEZEYOD-ZDUSSCGKSA-N 2 1 220.360 2.458 20 0 BEADMP Cc1ccccc1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000415059707 386541793 /nfs/dbraw/zinc/54/17/93/386541793.db2.gz VLZYCIMKEZEYOD-ZDUSSCGKSA-N 2 1 220.360 2.458 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000647995265 386546879 /nfs/dbraw/zinc/54/68/79/386546879.db2.gz KBDZTNJYZDNYPV-AVGNSLFASA-N 2 1 224.392 2.482 20 0 BEADMP CCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975303 386549025 /nfs/dbraw/zinc/54/90/25/386549025.db2.gz VNNXJHPPAJRXTC-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+]C/C=C/c1ccccc1 ZINC000414791695 386550405 /nfs/dbraw/zinc/55/04/05/386550405.db2.gz IFPGLXGBHHOFRN-MRZGDXHCSA-N 2 1 218.344 2.273 20 0 BEADMP Cc1cccc(C[NH2+][C@H](C[NH3+])C2CC2)c1C ZINC000414791979 386551484 /nfs/dbraw/zinc/55/14/84/386551484.db2.gz BRLQSCUGONVRPA-CQSZACIVSA-N 2 1 218.344 2.130 20 0 BEADMP Cc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)ccc1F ZINC000414792480 386552380 /nfs/dbraw/zinc/55/23/80/386552380.db2.gz IZGCJODOFGPRNO-CYBMUJFWSA-N 2 1 224.323 2.207 20 0 BEADMP COc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)ccc1C ZINC000414792467 386552903 /nfs/dbraw/zinc/55/29/03/386552903.db2.gz IWKDFTDHRQQYRJ-ZDUSSCGKSA-N 2 1 236.359 2.077 20 0 BEADMP C[C@H]1CCCC[C@H]1C[NH2+]CCC[NH+]1CCC1 ZINC000519778185 386554541 /nfs/dbraw/zinc/55/45/41/386554541.db2.gz PQWLVCMWOMDHPI-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP [NH3+]C[C@@H]([NH2+]Cc1ccc2ncccc2c1)C1CC1 ZINC000414793408 386554735 /nfs/dbraw/zinc/55/47/35/386554735.db2.gz DHSDKHGCBFXZJT-OAHLLOKOSA-N 2 1 241.338 2.062 20 0 BEADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]CC1CC1 ZINC000187569680 386560390 /nfs/dbraw/zinc/56/03/90/386560390.db2.gz SOQMCFHUPYRRLO-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP CCCOc1cccc(C[NH2+]CC(C)(C)[NH3+])c1 ZINC000414796063 386567418 /nfs/dbraw/zinc/56/74/18/386567418.db2.gz BQLKQPXOCCODBY-UHFFFAOYSA-N 2 1 236.359 2.302 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000414795166 386571715 /nfs/dbraw/zinc/57/17/15/386571715.db2.gz MTFPKWWSNLQCST-XGACYXMMSA-N 2 1 236.334 2.412 20 0 BEADMP c1ccc2nc(C[NH2+]C3CC[NH2+]CC3)ccc2c1 ZINC000335423643 386597957 /nfs/dbraw/zinc/59/79/57/386597957.db2.gz BREHDUJDQPPVRO-UHFFFAOYSA-N 2 1 241.338 2.076 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CCCC23CC3)CC1 ZINC000520253853 386623256 /nfs/dbraw/zinc/62/32/56/386623256.db2.gz BJSNHHODIWMUIL-CYBMUJFWSA-N 2 1 222.376 2.393 20 0 BEADMP CC[N@@H+](C[C@]1(C)CC[NH2+]C1)C1CC(C)(C)C1 ZINC000415122795 386627386 /nfs/dbraw/zinc/62/73/86/386627386.db2.gz LXMXBHBWZCVSPK-CQSZACIVSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CCC[C@H](C[NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000414924670 386628192 /nfs/dbraw/zinc/62/81/92/386628192.db2.gz IYEGKUSVEKLETF-MQYQWHSLSA-N 2 1 224.392 2.400 20 0 BEADMP CCc1cccnc1[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000425916481 386629568 /nfs/dbraw/zinc/62/95/68/386629568.db2.gz FQYFKGUUZUMCHZ-OLZOCXBDSA-N 2 1 249.402 2.492 20 0 BEADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425916483 386630586 /nfs/dbraw/zinc/63/05/86/386630586.db2.gz FQYFKGUUZUMCHZ-QWHCGFSZSA-N 2 1 249.402 2.492 20 0 BEADMP Cc1cccc(C[NH2+]CC(C)(C)[NH3+])c1C ZINC000414811367 386634887 /nfs/dbraw/zinc/63/48/87/386634887.db2.gz ZOMMBPGLNQTLAO-UHFFFAOYSA-N 2 1 206.333 2.130 20 0 BEADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414814334 386645635 /nfs/dbraw/zinc/64/56/35/386645635.db2.gz RPDHYPVDSKTCDQ-CABCVRRESA-N 2 1 232.371 2.335 20 0 BEADMP C[C@@H](C[NH2+][C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000414815737 386652665 /nfs/dbraw/zinc/65/26/65/386652665.db2.gz UVESCBWTHWORTC-SMDDNHRTSA-N 2 1 218.344 2.117 20 0 BEADMP C[C@@]1(C[NH2+]Cc2ccccc2Cl)CC[NH2+]C1 ZINC000415082106 386600118 /nfs/dbraw/zinc/60/01/18/386600118.db2.gz NVGHROZHIVHUTE-CYBMUJFWSA-N 2 1 238.762 2.429 20 0 BEADMP C[C@H](C[NH2+][C@H]1CCC[NH2+]C1)Cc1cccs1 ZINC000415085456 386602123 /nfs/dbraw/zinc/60/21/23/386602123.db2.gz QPUVPCCPBUPTPO-RYUDHWBXSA-N 2 1 238.400 2.268 20 0 BEADMP C[C@H](CC1CCCC1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414802022 386603639 /nfs/dbraw/zinc/60/36/39/386603639.db2.gz HPZCXMSFWFEQSL-MFKMUULPSA-N 2 1 210.365 2.282 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+]C[C@H]1CCO[C@@H](CC)C1 ZINC000414808190 386611862 /nfs/dbraw/zinc/61/18/62/386611862.db2.gz DPSSRSQLZPVJIO-MJBXVCDLSA-N 2 1 242.407 2.299 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414926739 386665174 /nfs/dbraw/zinc/66/51/74/386665174.db2.gz KPEXQJQOSIPSRW-LERXQTSPSA-N 2 1 236.334 2.399 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000414821992 386670159 /nfs/dbraw/zinc/67/01/59/386670159.db2.gz DDJZEERNDXLWQR-GFCCVEGCSA-N 2 1 238.350 2.346 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000414821944 386672176 /nfs/dbraw/zinc/67/21/76/386672176.db2.gz CZKALMWQUPSGKI-NSHDSACASA-N 2 1 240.778 2.470 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](C)CCc1ccccc1F ZINC000414820784 386675353 /nfs/dbraw/zinc/67/53/53/386675353.db2.gz BDCPVECQTXOZCD-GFCCVEGCSA-N 2 1 238.350 2.346 20 0 BEADMP CC(C)[C@@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000226558047 386677585 /nfs/dbraw/zinc/67/75/85/386677585.db2.gz DGFYXAXNYDSJPT-STQMWFEESA-N 2 1 210.365 2.106 20 0 BEADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CC(C)C ZINC000417379452 386656986 /nfs/dbraw/zinc/65/69/86/386656986.db2.gz UOIPWPRXNZVQHU-IHRRRGAJSA-N 2 1 242.407 2.120 20 0 BEADMP Cc1ccc([C@H]2CCC[N@H+]2CCOCC[NH3+])cc1 ZINC000357022790 386691117 /nfs/dbraw/zinc/69/11/17/386691117.db2.gz CCUZZZLOYAEDEC-OAHLLOKOSA-N 2 1 248.370 2.107 20 0 BEADMP CC[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000337256637 386692178 /nfs/dbraw/zinc/69/21/78/386692178.db2.gz SMVXTMXOIQISSJ-TZMCWYRMSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000337256637 386692184 /nfs/dbraw/zinc/69/21/84/386692184.db2.gz SMVXTMXOIQISSJ-TZMCWYRMSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000337256637 386692190 /nfs/dbraw/zinc/69/21/90/386692190.db2.gz SMVXTMXOIQISSJ-TZMCWYRMSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH2+]CC[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414828919 386702469 /nfs/dbraw/zinc/70/24/69/386702469.db2.gz LNAKLPJCFHVWFO-GJZGRUSLSA-N 2 1 232.371 2.306 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cc2ccccc2o1 ZINC000414838795 386737789 /nfs/dbraw/zinc/73/77/89/386737789.db2.gz LPWDBHORRVNMFQ-NSHDSACASA-N 2 1 232.327 2.378 20 0 BEADMP Cc1ccc(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000334141478 386739832 /nfs/dbraw/zinc/73/98/32/386739832.db2.gz HMNOKLIRGOARLQ-CVEARBPZSA-N 2 1 244.382 2.079 20 0 BEADMP CC[C@H](C[N@H+]1C[C@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000340692946 386713877 /nfs/dbraw/zinc/71/38/77/386713877.db2.gz WNSMXQITFCZKTH-GZBFAFLISA-N 2 1 232.371 2.459 20 0 BEADMP CCOc1ccccc1C[NH2+]C[C@@H](C)C[NH2+]C ZINC000414832651 386719828 /nfs/dbraw/zinc/71/98/28/386719828.db2.gz FJYDDVMSNLGODY-LBPRGKRZSA-N 2 1 236.359 2.030 20 0 BEADMP Cc1cc[nH+]c(NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000044537845 386723874 /nfs/dbraw/zinc/72/38/74/386723874.db2.gz KZQXEYYVVBEUDE-LBPRGKRZSA-N 2 1 219.332 2.144 20 0 BEADMP Cc1cc[nH+]c(NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000044537845 386723882 /nfs/dbraw/zinc/72/38/82/386723882.db2.gz KZQXEYYVVBEUDE-LBPRGKRZSA-N 2 1 219.332 2.144 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+]C1Cc2ccccc2C1 ZINC000414839965 386746609 /nfs/dbraw/zinc/74/66/09/386746609.db2.gz LXTGAPQQHKMLGN-OAHLLOKOSA-N 2 1 232.371 2.117 20 0 BEADMP CCC[C@@H](C)C[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414840875 386752135 /nfs/dbraw/zinc/75/21/35/386752135.db2.gz MRTKGNRUYVZXBM-VXGBXAGGSA-N 2 1 200.370 2.386 20 0 BEADMP Cc1ccc(CC[C@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000414931104 386757628 /nfs/dbraw/zinc/75/76/28/386757628.db2.gz QTJGHANBILXLHE-QWHCGFSZSA-N 2 1 220.360 2.253 20 0 BEADMP CCSCC[C@@H](C)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000340712586 386761510 /nfs/dbraw/zinc/76/15/10/386761510.db2.gz PNEKRJAQTYOIDQ-CHWSQXEVSA-N 2 1 244.448 2.450 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](C)CCCC(F)(F)F ZINC000414842593 386762896 /nfs/dbraw/zinc/76/28/96/386762896.db2.gz IUMDCWCOSXLIGA-SECBINFHSA-N 2 1 226.286 2.307 20 0 BEADMP Cc1ncccc1C[NH2+]CC1([NH3+])CCCCC1 ZINC000414843882 386766578 /nfs/dbraw/zinc/76/65/78/386766578.db2.gz OXQYAVCQFLSSJX-UHFFFAOYSA-N 2 1 233.359 2.141 20 0 BEADMP [NH3+]C[C@H]([NH2+]C[C@H]1CCSC1)C1CCCCC1 ZINC000414838977 386741039 /nfs/dbraw/zinc/74/10/39/386741039.db2.gz LDYNQODVJDSZAH-YPMHNXCESA-N 2 1 242.432 2.237 20 0 BEADMP COc1ccc(C)cc1C[NH2+]C1(C)CC[NH2+]CC1 ZINC000414932556 386770696 /nfs/dbraw/zinc/77/06/96/386770696.db2.gz CUCZMTKHKDKRDW-UHFFFAOYSA-N 2 1 248.370 2.235 20 0 BEADMP CC[N@H+](CC[NH2+]C[C@@H]1CCSC1)C(C)C ZINC000336761316 386779979 /nfs/dbraw/zinc/77/99/79/386779979.db2.gz MRIRRVRMYXWZRX-LBPRGKRZSA-N 2 1 230.421 2.059 20 0 BEADMP CC[N@@H+](CC[NH2+]C[C@@H]1CCSC1)C(C)C ZINC000336761316 386779986 /nfs/dbraw/zinc/77/99/86/386779986.db2.gz MRIRRVRMYXWZRX-LBPRGKRZSA-N 2 1 230.421 2.059 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC1(C)C ZINC000336666502 386780485 /nfs/dbraw/zinc/78/04/85/386780485.db2.gz DLOASOGNUXHFFU-GFCCVEGCSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)[C@@H]1CC[C@@H]([NH2+][C@H](C)C[NH3+])C[C@H]1C ZINC000414933458 386783810 /nfs/dbraw/zinc/78/38/10/386783810.db2.gz UFYACWJNKTUNLX-LPWJVIDDSA-N 2 1 212.381 2.384 20 0 BEADMP C[NH+](C)CCC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280308506 386802091 /nfs/dbraw/zinc/80/20/91/386802091.db2.gz OESNHMOXRJMPAB-OAHLLOKOSA-N 2 1 247.386 2.464 20 0 BEADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H](C)[NH+](CC)CC)CCO1 ZINC000648413225 386810786 /nfs/dbraw/zinc/81/07/86/386810786.db2.gz KBDXXYUAKZGFPI-MGPQQGTHSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@@H](C[NH2+][C@H]1CCCc2occc21)C[NH+](C)C ZINC000293303854 386811601 /nfs/dbraw/zinc/81/16/01/386811601.db2.gz DUUJJINORAYINU-AAEUAGOBSA-N 2 1 236.359 2.444 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000414936848 386843425 /nfs/dbraw/zinc/84/34/25/386843425.db2.gz WVVWQLLBLZFKTA-XBFCOCLRSA-N 2 1 218.344 2.260 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414942748 386893561 /nfs/dbraw/zinc/89/35/61/386893561.db2.gz KPEXQJQOSIPSRW-GDLCADMTSA-N 2 1 236.334 2.399 20 0 BEADMP CCc1cc(N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc[nH+]1 ZINC000334790251 386854663 /nfs/dbraw/zinc/85/46/63/386854663.db2.gz MJNXZWLNSIKTCV-IUODEOHRSA-N 2 1 245.370 2.174 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000334790801 386856711 /nfs/dbraw/zinc/85/67/11/386856711.db2.gz VZJINCPJKMOCTG-UONOGXRCSA-N 2 1 233.359 2.456 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000334790801 386856717 /nfs/dbraw/zinc/85/67/17/386856717.db2.gz VZJINCPJKMOCTG-UONOGXRCSA-N 2 1 233.359 2.456 20 0 BEADMP Cc1nc(NC[C@@H](C)[N@H+](C)C2CC2)c(C)c(C)[nH+]1 ZINC000301713726 386869954 /nfs/dbraw/zinc/86/99/54/386869954.db2.gz YZEDKVIAJHIDNY-SECBINFHSA-N 2 1 248.374 2.296 20 0 BEADMP Cc1nc(NC[C@@H](C)[N@@H+](C)C2CC2)c(C)c(C)[nH+]1 ZINC000301713726 386869959 /nfs/dbraw/zinc/86/99/59/386869959.db2.gz YZEDKVIAJHIDNY-SECBINFHSA-N 2 1 248.374 2.296 20 0 BEADMP Cc1occc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000334835749 386875759 /nfs/dbraw/zinc/87/57/59/386875759.db2.gz JASNWRHJIOVHPC-CQSZACIVSA-N 2 1 234.343 2.116 20 0 BEADMP Cc1occc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000334835749 386875761 /nfs/dbraw/zinc/87/57/61/386875761.db2.gz JASNWRHJIOVHPC-CQSZACIVSA-N 2 1 234.343 2.116 20 0 BEADMP Cc1occc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000334835749 386875762 /nfs/dbraw/zinc/87/57/62/386875762.db2.gz JASNWRHJIOVHPC-CQSZACIVSA-N 2 1 234.343 2.116 20 0 BEADMP Cc1occc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000334835749 386875765 /nfs/dbraw/zinc/87/57/65/386875765.db2.gz JASNWRHJIOVHPC-CQSZACIVSA-N 2 1 234.343 2.116 20 0 BEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)C1CCCC1 ZINC000336739400 386880372 /nfs/dbraw/zinc/88/03/72/386880372.db2.gz LFDUOGGCNHGUHO-LLVKDONJSA-N 2 1 221.348 2.131 20 0 BEADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2F)CC[NH2+]1 ZINC000334864585 386920107 /nfs/dbraw/zinc/92/01/07/386920107.db2.gz QLQQWAGLPVDWLO-CMPLNLGQSA-N 2 1 222.307 2.056 20 0 BEADMP C[C@@H](C[NH3+])[NH2+]CCCCCOc1ccccc1 ZINC000414943427 386906171 /nfs/dbraw/zinc/90/61/71/386906171.db2.gz LTIVWGCURWDSHC-ZDUSSCGKSA-N 2 1 236.359 2.173 20 0 BEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C(C)(C)C ZINC000336762210 386920481 /nfs/dbraw/zinc/92/04/81/386920481.db2.gz NXYWDZLJYGTDLC-LLVKDONJSA-N 2 1 210.365 2.273 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)CC[NH2+]1 ZINC000334867097 386923531 /nfs/dbraw/zinc/92/35/31/386923531.db2.gz ZVAPEWJAXIXTLS-MFKMUULPSA-N 2 1 222.307 2.056 20 0 BEADMP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@H]1CCCSC1 ZINC000334867114 386924669 /nfs/dbraw/zinc/92/46/69/386924669.db2.gz ZWSDIWNCBHNYCW-RYUDHWBXSA-N 2 1 242.432 2.250 20 0 BEADMP CC(C)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000334866851 386924696 /nfs/dbraw/zinc/92/46/96/386924696.db2.gz CVXUKJKHQOJTEK-CHWSQXEVSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC23CCC3)CC[NH2+]1 ZINC000334816832 386942709 /nfs/dbraw/zinc/94/27/09/386942709.db2.gz BXKZKMZPOMJAIM-OLZOCXBDSA-N 2 1 222.376 2.393 20 0 BEADMP COC[C@@H](C)C[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000526118772 387034216 /nfs/dbraw/zinc/03/42/16/387034216.db2.gz ORTBOEDMKQSVOH-MELADBBJSA-N 2 1 242.407 2.121 20 0 BEADMP COC[C@@H](C)C[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000526118772 387034222 /nfs/dbraw/zinc/03/42/22/387034222.db2.gz ORTBOEDMKQSVOH-MELADBBJSA-N 2 1 242.407 2.121 20 0 BEADMP c1ccc2c(c1)CCC[C@H]2[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107856104 387036790 /nfs/dbraw/zinc/03/67/90/387036790.db2.gz PUJHUFLTTXDVAQ-IJEWVQPXSA-N 2 1 242.366 2.215 20 0 BEADMP CC[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000070613546 387070125 /nfs/dbraw/zinc/07/01/25/387070125.db2.gz QFISPLDUTYATLE-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP COCc1cccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000126930092 387074744 /nfs/dbraw/zinc/07/47/44/387074744.db2.gz SABPAEWTOLOIJM-WFASDCNBSA-N 2 1 248.370 2.002 20 0 BEADMP COCC[N@@H+](CC[C@@H]1CCC[NH+]1C)CC(C)C ZINC000119167131 387105156 /nfs/dbraw/zinc/10/51/56/387105156.db2.gz AZGOHUZNRVOBDQ-AWEZNQCLSA-N 2 1 242.407 2.075 20 0 BEADMP COCC[NH+](CC[C@@H]1CCC[N@@H+]1C)CC(C)C ZINC000119167131 387105163 /nfs/dbraw/zinc/10/51/63/387105163.db2.gz AZGOHUZNRVOBDQ-AWEZNQCLSA-N 2 1 242.407 2.075 20 0 BEADMP COCC[NH+](CC[C@@H]1CCC[N@H+]1C)CC(C)C ZINC000119167131 387105168 /nfs/dbraw/zinc/10/51/68/387105168.db2.gz AZGOHUZNRVOBDQ-AWEZNQCLSA-N 2 1 242.407 2.075 20 0 BEADMP CCCc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359475288 387107842 /nfs/dbraw/zinc/10/78/42/387107842.db2.gz RGHLAVPMMFGRBC-IYBDPMFKSA-N 2 1 244.382 2.290 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000112706341 387109682 /nfs/dbraw/zinc/10/96/82/387109682.db2.gz IEFHJPYMZNTKOK-ZDUSSCGKSA-N 2 1 232.371 2.290 20 0 BEADMP CCC1CC([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000336767182 387121987 /nfs/dbraw/zinc/12/19/87/387121987.db2.gz SIZFHJVAEHAUKK-UHFFFAOYSA-N 2 1 212.381 2.495 20 0 BEADMP COCC[C@H](C)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000186732526 387130095 /nfs/dbraw/zinc/13/00/95/387130095.db2.gz DBWHSFJAQSYUKJ-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP Cc1ccccc1C[C@@H]([NH2+][C@H](C)C[NH3+])C1CC1 ZINC000423342246 387192359 /nfs/dbraw/zinc/19/23/59/387192359.db2.gz YSKTURXUZPRKQI-IUODEOHRSA-N 2 1 232.371 2.253 20 0 BEADMP CCC[NH2+]CC[NH2+][C@H]1C[C@@H](OC)C1(CC)CC ZINC000423310490 387145541 /nfs/dbraw/zinc/14/55/41/387145541.db2.gz NLSJIUNKKAEWEM-QWHCGFSZSA-N 2 1 242.407 2.169 20 0 BEADMP COc1cccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000423310403 387146190 /nfs/dbraw/zinc/14/61/90/387146190.db2.gz AHLVODVCNQWPGU-YGRLFVJLSA-N 2 1 234.343 2.083 20 0 BEADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)CC2 ZINC000423313170 387150613 /nfs/dbraw/zinc/15/06/13/387150613.db2.gz FGKBUYCCJIEJPF-CABCVRRESA-N 2 1 246.354 2.009 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(C)n1 ZINC000187037462 387154159 /nfs/dbraw/zinc/15/41/59/387154159.db2.gz NVKADUDPOILNBD-CQSZACIVSA-N 2 1 247.386 2.082 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(C)n1 ZINC000187037462 387154163 /nfs/dbraw/zinc/15/41/63/387154163.db2.gz NVKADUDPOILNBD-CQSZACIVSA-N 2 1 247.386 2.082 20 0 BEADMP COc1cccc2c1CC[C@H]2[NH2+]CC1([NH3+])CCC1 ZINC000423315980 387156463 /nfs/dbraw/zinc/15/64/63/387156463.db2.gz BJAIHQCQASDSHK-CYBMUJFWSA-N 2 1 246.354 2.154 20 0 BEADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccco1 ZINC000423319140 387159467 /nfs/dbraw/zinc/15/94/67/387159467.db2.gz CYZRKZDDAGXLLQ-AAEUAGOBSA-N 2 1 222.332 2.320 20 0 BEADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423321174 387161865 /nfs/dbraw/zinc/16/18/65/387161865.db2.gz MXCGIRRGUXISMY-TURNYIBQSA-N 2 1 248.345 2.386 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000423323036 387164334 /nfs/dbraw/zinc/16/43/34/387164334.db2.gz JEZPHKHHPRKXEF-RULNRJAQSA-N 2 1 236.334 2.386 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000423323034 387166079 /nfs/dbraw/zinc/16/60/79/387166079.db2.gz JEZPHKHHPRKXEF-RBZYPMLTSA-N 2 1 236.334 2.386 20 0 BEADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)CC2 ZINC000423333155 387178045 /nfs/dbraw/zinc/17/80/45/387178045.db2.gz VMEODQKRMFLQGP-CABCVRRESA-N 2 1 230.355 2.309 20 0 BEADMP [NH3+][C@H](C[NH2+][C@@H]1CCCc2ccc(O)cc21)C1CC1 ZINC000423337371 387185269 /nfs/dbraw/zinc/18/52/69/387185269.db2.gz YGMDCJUDMFOEHJ-HUUCEWRRSA-N 2 1 246.354 2.097 20 0 BEADMP [NH3+][C@@H](C[NH2+][C@H]1CCCc2ccc(O)cc21)C1CC1 ZINC000423337370 387186608 /nfs/dbraw/zinc/18/66/08/387186608.db2.gz YGMDCJUDMFOEHJ-GJZGRUSLSA-N 2 1 246.354 2.097 20 0 BEADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1cnc2ccsc2c1 ZINC000423301862 387134134 /nfs/dbraw/zinc/13/41/34/387134134.db2.gz IHGYVUXUGAFAHI-SECBINFHSA-N 2 1 247.367 2.166 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000423302270 387135634 /nfs/dbraw/zinc/13/56/34/387135634.db2.gz VGDXJOYFKRWNDP-MCIONIFRSA-N 2 1 242.407 2.299 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423355470 387206331 /nfs/dbraw/zinc/20/63/31/387206331.db2.gz FOPWZKDYRDKYOX-MBJXGIAVSA-N 2 1 224.392 2.399 20 0 BEADMP c1cc2c(o1)CCC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423355670 387208592 /nfs/dbraw/zinc/20/85/92/387208592.db2.gz FTNGREQQHMAIPA-YPMHNXCESA-N 2 1 234.343 2.389 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)C1CCCC1 ZINC000423356933 387208824 /nfs/dbraw/zinc/20/88/24/387208824.db2.gz HORFQNQLUJELDP-NTZNESFSSA-N 2 1 210.365 2.153 20 0 BEADMP Cc1ccc(C[C@@H]([NH2+][C@@H](C)C[NH3+])C2CC2)cc1 ZINC000423357828 387209575 /nfs/dbraw/zinc/20/95/75/387209575.db2.gz AXYNDNLMBXFCPA-SWLSCSKDSA-N 2 1 232.371 2.253 20 0 BEADMP Cc1nc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cs1 ZINC000423359202 387210525 /nfs/dbraw/zinc/21/05/25/387210525.db2.gz CVSRTHOUTZRJSO-LSJOCFKGSA-N 2 1 239.388 2.372 20 0 BEADMP CC[C@@H](C)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000120266241 387217431 /nfs/dbraw/zinc/21/74/31/387217431.db2.gz ACFQZXOQVFZYOH-GFCCVEGCSA-N 2 1 212.381 2.306 20 0 BEADMP [NH3+]CCC[N@H+](Cc1ccccc1)CC1CC1 ZINC000230004502 387222483 /nfs/dbraw/zinc/22/24/83/387222483.db2.gz MNNSCKMYPHDBFL-UHFFFAOYSA-N 2 1 218.344 2.247 20 0 BEADMP CC[NH2+][C@H](C)C[NH2+][C@H]1C[C@@H](OC)C1(CC)CC ZINC000423369437 387223312 /nfs/dbraw/zinc/22/33/12/387223312.db2.gz CDLCWVUJRGOJEJ-FRRDWIJNSA-N 2 1 242.407 2.168 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)[C@H]1C[C@H]1C ZINC000423371754 387227129 /nfs/dbraw/zinc/22/71/29/387227129.db2.gz AUEXVVVRCPVCDE-NDBYEHHHSA-N 2 1 224.392 2.399 20 0 BEADMP CC[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000643497023 387227254 /nfs/dbraw/zinc/22/72/54/387227254.db2.gz QEHSSZBGLYEXML-VXGBXAGGSA-N 2 1 238.400 2.411 20 0 BEADMP CC[C@H](Cc1cccs1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000643497020 387227373 /nfs/dbraw/zinc/22/73/73/387227373.db2.gz QEHSSZBGLYEXML-NEPJUHHUSA-N 2 1 238.400 2.411 20 0 BEADMP Cc1ccc([C@@H]([NH2+][C@@H](C)C[NH3+])C2CC2)cc1 ZINC000423372045 387227748 /nfs/dbraw/zinc/22/77/48/387227748.db2.gz QWJUUGYMUBWNRM-SMDDNHRTSA-N 2 1 218.344 2.383 20 0 BEADMP c1ccc2c(c1)CCC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC000643497136 387228600 /nfs/dbraw/zinc/22/86/00/387228600.db2.gz BBRBJKNFUIOHKF-JKSUJKDBSA-N 2 1 244.382 2.276 20 0 BEADMP CCC[C@@H]([NH2+]C[C@H](C)[NH2+]C)C(C)(C)C ZINC000423398698 387233801 /nfs/dbraw/zinc/23/38/01/387233801.db2.gz UCXRYLPCPANQDC-WDEREUQCSA-N 2 1 200.370 2.399 20 0 BEADMP CCC[C@H]([NH2+]C[C@@H](C)[NH2+]C)C(C)(C)C ZINC000423398696 387234693 /nfs/dbraw/zinc/23/46/93/387234693.db2.gz UCXRYLPCPANQDC-MNOVXSKESA-N 2 1 200.370 2.399 20 0 BEADMP CCC[C@@H]([NH2+]C[C@@H](C)[NH2+]C)C(C)(C)C ZINC000423398695 387234879 /nfs/dbraw/zinc/23/48/79/387234879.db2.gz UCXRYLPCPANQDC-GHMZBOCLSA-N 2 1 200.370 2.399 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cccc(O)c1 ZINC000423398752 387235192 /nfs/dbraw/zinc/23/51/92/387235192.db2.gz VKOBLRYIUQSSFG-NTZNESFSSA-N 2 1 234.343 2.183 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000423405218 387240076 /nfs/dbraw/zinc/24/00/76/387240076.db2.gz SWZCQTNHALXBBV-YUTCNCBUSA-N 2 1 248.370 2.169 20 0 BEADMP Clc1cccc2c1CC[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000572147944 387243633 /nfs/dbraw/zinc/24/36/33/387243633.db2.gz HGGHSMXQHXHNIH-UZGDPCLZSA-N 2 1 248.757 2.135 20 0 BEADMP Cc1cc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)s1 ZINC000423422727 387249907 /nfs/dbraw/zinc/24/99/07/387249907.db2.gz DJRRDWXORZUXTQ-HWNAMQAFSA-N 2 1 236.384 2.233 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000423463699 387312361 /nfs/dbraw/zinc/31/23/61/387312361.db2.gz LMYQMOZVGUMEBK-WFBYXXMGSA-N 2 1 236.334 2.386 20 0 BEADMP CCC1CC([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000423470895 387316599 /nfs/dbraw/zinc/31/65/99/387316599.db2.gz GZBMUODILBNGDA-YVNMAJEFSA-N 2 1 232.318 2.009 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000423377679 387259551 /nfs/dbraw/zinc/25/95/51/387259551.db2.gz WBMLOCBMBOZUFX-ZANVPECISA-N 2 1 222.307 2.214 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])C1CCC(F)(F)CC1 ZINC000423381423 387261808 /nfs/dbraw/zinc/26/18/08/387261808.db2.gz ZREOONYSWKBPIH-DTWKUNHWSA-N 2 1 220.307 2.137 20 0 BEADMP COC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000423379467 387262092 /nfs/dbraw/zinc/26/20/92/387262092.db2.gz LXFOLGQNHUBRKI-CFVMTHIKSA-N 2 1 248.370 2.104 20 0 BEADMP CCc1cccnc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000423383394 387264927 /nfs/dbraw/zinc/26/49/27/387264927.db2.gz PCCLWPLGTPTAQM-OBJOEFQTSA-N 2 1 247.386 2.435 20 0 BEADMP CC[NH2+][C@H](C)C[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000423386937 387271049 /nfs/dbraw/zinc/27/10/49/387271049.db2.gz SEJAOPMEFOOQER-AGIUHOORSA-N 2 1 242.407 2.166 20 0 BEADMP CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1cccc(C)c1 ZINC000423391354 387277023 /nfs/dbraw/zinc/27/70/23/387277023.db2.gz KXKIRIHFUHGTIT-WCQYABFASA-N 2 1 206.333 2.383 20 0 BEADMP CSc1ccccc1[C@@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423437029 387286014 /nfs/dbraw/zinc/28/60/14/387286014.db2.gz QFUNUHJQTPQOBH-WUWHUORYSA-N 2 1 248.395 2.277 20 0 BEADMP CC[NH2+]CCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000643499216 387286296 /nfs/dbraw/zinc/28/62/96/387286296.db2.gz IUSVXWYCCPDLHO-CYBMUJFWSA-N 2 1 233.359 2.048 20 0 BEADMP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccsc1 ZINC000423435302 387286820 /nfs/dbraw/zinc/28/68/20/387286820.db2.gz RDDKVRJJLKSDMN-WHOHXGKFSA-N 2 1 222.357 2.007 20 0 BEADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(C2CC2)c1 ZINC000423437551 387288081 /nfs/dbraw/zinc/28/80/81/387288081.db2.gz UILLYNXSEUQMCO-MZORAGNBSA-N 2 1 242.366 2.432 20 0 BEADMP Cc1nc2c(s1)[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])CCC2 ZINC000423441794 387292545 /nfs/dbraw/zinc/29/25/45/387292545.db2.gz JKSIABRQEXZYOX-QXFUBDJGSA-N 2 1 239.388 2.154 20 0 BEADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])CC2 ZINC000423444728 387295408 /nfs/dbraw/zinc/29/54/08/387295408.db2.gz MAHDNQYZFZZLCD-COPLHBTASA-N 2 1 218.344 2.308 20 0 BEADMP CC1CC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459790942 387297450 /nfs/dbraw/zinc/29/74/50/387297450.db2.gz RCBPQPDTCZZUSA-OTTFEQOBSA-N 2 1 210.365 2.106 20 0 BEADMP COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])ccc1F ZINC000423448173 387297521 /nfs/dbraw/zinc/29/75/21/387297521.db2.gz PWYAJYCYBNRANC-UTLUCORTSA-N 2 1 240.322 2.221 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C ZINC000423447421 387298304 /nfs/dbraw/zinc/29/83/04/387298304.db2.gz OZKLNTJBNJPXND-MAGOMRGPSA-N 2 1 236.334 2.384 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000423456948 387303545 /nfs/dbraw/zinc/30/35/45/387303545.db2.gz DZABHEVOWDCEEY-FZMZJTMJSA-N 2 1 234.343 2.097 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000423471788 387318954 /nfs/dbraw/zinc/31/89/54/387318954.db2.gz PZPJTNCHOKEXRM-SMDDNHRTSA-N 2 1 234.343 2.009 20 0 BEADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000575512091 387384078 /nfs/dbraw/zinc/38/40/78/387384078.db2.gz KRKKJSZENUJHEB-GXTWGEPZSA-N 2 1 218.344 2.259 20 0 BEADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423529247 387359579 /nfs/dbraw/zinc/35/95/79/387359579.db2.gz XMEVYWCTKBJSPC-ZIAGYGMSSA-N 2 1 248.370 2.024 20 0 BEADMP C[NH+](C)[C@H]1CCC[N@H+](C2CCCC2)CC1 ZINC000336541591 387362769 /nfs/dbraw/zinc/36/27/69/387362769.db2.gz BIGVRUNQJFCVLB-LBPRGKRZSA-N 2 1 210.365 2.345 20 0 BEADMP CC(C)C1CC([NH2+]C[C@@H]2CCCC[NH2+]2)C1 ZINC000643502604 387365798 /nfs/dbraw/zinc/36/57/98/387365798.db2.gz LKCOMWMONHISPI-CPCZMJQVSA-N 2 1 210.365 2.153 20 0 BEADMP C([NH2+][C@@H]1CCCC12CCC2)[C@H]1CCCC[NH2+]1 ZINC000643502691 387369170 /nfs/dbraw/zinc/36/91/70/387369170.db2.gz OCYKOBCUWQNEFH-CHWSQXEVSA-N 2 1 222.376 2.441 20 0 BEADMP CCC[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccccn1 ZINC000643453406 387369181 /nfs/dbraw/zinc/36/91/81/387369181.db2.gz QFBGVMYKUVGYQZ-SMDDNHRTSA-N 2 1 233.359 2.120 20 0 BEADMP CO[C@H](C)[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373522734 387377609 /nfs/dbraw/zinc/37/76/09/387377609.db2.gz OAFOMBMOBIJYIQ-IWMBGFJWSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000423472560 387319326 /nfs/dbraw/zinc/31/93/26/387319326.db2.gz QGPPNFUXJSXBPX-RYUDHWBXSA-N 2 1 235.375 2.141 20 0 BEADMP CCC[C@H]([NH2+]C[C@H]([NH3+])CC)c1cccnc1 ZINC000423476431 387323848 /nfs/dbraw/zinc/32/38/48/387323848.db2.gz SLMKHJAJAOUSFI-OLZOCXBDSA-N 2 1 221.348 2.250 20 0 BEADMP C[C@@H]([NH2+][C@@H](c1cccnc1)C1CCC1)[C@H](C)[NH3+] ZINC000423479959 387325995 /nfs/dbraw/zinc/32/59/95/387325995.db2.gz VSEXVUSBGSKFOY-MISXGVKJSA-N 2 1 233.359 2.248 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)C1(C)CC1 ZINC000423479672 387327439 /nfs/dbraw/zinc/32/74/39/387327439.db2.gz OOGIVSWJHSYDGQ-ZJUUUORDSA-N 2 1 232.318 2.009 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000423484231 387328673 /nfs/dbraw/zinc/32/86/73/387328673.db2.gz YLHJWMMWXIFKJY-KBPBESRZSA-N 2 1 233.359 2.250 20 0 BEADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1C[C@@H]1C ZINC000321951512 387329974 /nfs/dbraw/zinc/32/99/74/387329974.db2.gz WXPPKSGZQDMQBF-UBHSHLNASA-N 2 1 222.376 2.273 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000423484238 387330024 /nfs/dbraw/zinc/33/00/24/387330024.db2.gz YLHJWMMWXIFKJY-ZIAGYGMSSA-N 2 1 233.359 2.250 20 0 BEADMP CCCCC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000515069992 387331149 /nfs/dbraw/zinc/33/11/49/387331149.db2.gz VMOBIMZFVCPJCG-UHFFFAOYSA-N 2 1 242.407 2.002 20 0 BEADMP CCC1CC([NH2+][C@@H](C[NH3+])C2CCCC2)C1 ZINC000423496836 387338886 /nfs/dbraw/zinc/33/88/86/387338886.db2.gz FMYIRSUAVFTAOL-GDKBPFBDSA-N 2 1 210.365 2.282 20 0 BEADMP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000235480402 387344916 /nfs/dbraw/zinc/34/49/16/387344916.db2.gz SSLBKEWGKGTDQR-RISCZKNCSA-N 2 1 236.334 2.098 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423508222 387345614 /nfs/dbraw/zinc/34/56/14/387345614.db2.gz HWMZQDRQIHGBGP-HIFRSBDPSA-N 2 1 248.370 2.024 20 0 BEADMP c1cnc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000643501129 387350548 /nfs/dbraw/zinc/35/05/48/387350548.db2.gz VMFDHUKTBMYNIJ-JSGCOSHPSA-N 2 1 245.370 2.048 20 0 BEADMP Cc1ccnc([C@@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000423516234 387351282 /nfs/dbraw/zinc/35/12/82/387351282.db2.gz WGIUOJWPTNCIFF-UMVBOHGHSA-N 2 1 247.386 2.368 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000643505503 387450061 /nfs/dbraw/zinc/45/00/61/387450061.db2.gz VYZQELRQPZTQLC-OAHLLOKOSA-N 2 1 232.371 2.133 20 0 BEADMP CC(C)c1cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])on1 ZINC000643455189 387389506 /nfs/dbraw/zinc/38/95/06/387389506.db2.gz DSINFAZVFKPNMI-JQWIXIFHSA-N 2 1 237.347 2.015 20 0 BEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccoc1 ZINC000643474763 387495175 /nfs/dbraw/zinc/49/51/75/387495175.db2.gz GSLMJSFRTNXACM-KYTZWMPUSA-N 2 1 220.316 2.213 20 0 BEADMP C[C@H](C[NH2+]C1CC[NH+](C)CC1)CC(F)(F)F ZINC000396914866 387516256 /nfs/dbraw/zinc/51/62/56/387516256.db2.gz SKVWQZWMLAUTRO-VIFPVBQESA-N 2 1 238.297 2.259 20 0 BEADMP NC[C@@H]1CCC[N@H+]1CCCCC1CCOCC1 ZINC000310065487 387534485 /nfs/dbraw/zinc/53/44/85/387534485.db2.gz PUFIUIVXNANTFD-AWEZNQCLSA-N 2 1 240.391 2.006 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@H+]1CCCCC1CCOCC1 ZINC000310065487 387534494 /nfs/dbraw/zinc/53/44/94/387534494.db2.gz PUFIUIVXNANTFD-AWEZNQCLSA-N 2 1 240.391 2.006 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC000300801436 387539110 /nfs/dbraw/zinc/53/91/10/387539110.db2.gz FBBKAEUAJVILLU-JTQLQIEISA-N 2 1 232.318 2.106 20 0 BEADMP CC[C@H](Cc1ccccc1)[NH2+]CC[NH2+]C1CC1 ZINC000643506119 387465797 /nfs/dbraw/zinc/46/57/97/387465797.db2.gz KYVCCZDIZAZGDF-CQSZACIVSA-N 2 1 232.371 2.349 20 0 BEADMP CCC1CCC([NH2+]CC[NH2+]C2CC2)CC1 ZINC000643506104 387466969 /nfs/dbraw/zinc/46/69/69/387466969.db2.gz KNXIAGOXYXOGCC-UHFFFAOYSA-N 2 1 210.365 2.297 20 0 BEADMP CC[C@@H]1CCC[C@H]([NH2+]CC[NH2+]C2CC2)C1 ZINC000643507023 387474125 /nfs/dbraw/zinc/47/41/25/387474125.db2.gz QBOLIYADXGPWJA-YPMHNXCESA-N 2 1 210.365 2.297 20 0 BEADMP CC1(C)CCCC[C@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507209 387475208 /nfs/dbraw/zinc/47/52/08/387475208.db2.gz VXRBKAHMSMKGAQ-GFCCVEGCSA-N 2 1 210.365 2.297 20 0 BEADMP C(C[NH2+]C1CCC2(CC2)CC1)[NH2+]C1CC1 ZINC000643507856 387479356 /nfs/dbraw/zinc/47/93/56/387479356.db2.gz SGUPKFTYDQTLTD-UHFFFAOYSA-N 2 1 208.349 2.051 20 0 BEADMP CC[C@@H]1CCCC[C@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507767 387479471 /nfs/dbraw/zinc/47/94/71/387479471.db2.gz PBAZKKZVOOQBQF-DGCLKSJQSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H](CCc1ccsc1)[NH2+]CC[NH2+]C1CC1 ZINC000643507812 387480684 /nfs/dbraw/zinc/48/06/84/387480684.db2.gz PXZYQXMWKHNSQL-NSHDSACASA-N 2 1 238.400 2.411 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CC[NH2+]C2CC2)[C@H](C)C1 ZINC000643507991 387481801 /nfs/dbraw/zinc/48/18/01/387481801.db2.gz YKBIVRMQWWTXIM-NQBHXWOUSA-N 2 1 210.365 2.153 20 0 BEADMP FCCC[C@@H]1CCC[C@@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507986 387482194 /nfs/dbraw/zinc/48/21/94/387482194.db2.gz YIZSMQPTKZRPLW-AAEUAGOBSA-N 2 1 228.355 2.246 20 0 BEADMP c1ccc2c(c1)CCC[C@H]([NH2+]CC[NH2+]C1CC1)C2 ZINC000643507466 387486589 /nfs/dbraw/zinc/48/65/89/387486589.db2.gz FQDUKGLLNBOBOJ-INIZCTEOSA-N 2 1 244.382 2.276 20 0 BEADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCc2ccccc2C1)C1CC1 ZINC000643512853 387597490 /nfs/dbraw/zinc/59/74/90/387597490.db2.gz DGEWECCOQOHZGN-HZPDHXFCSA-N 2 1 244.382 2.261 20 0 BEADMP [NH3+]C[C@H]([NH2+]Cc1cccc(C2CC2)c1)C1CC1 ZINC000422554659 387598211 /nfs/dbraw/zinc/59/82/11/387598211.db2.gz NKKWVURHZYDAAV-HNNXBMFYSA-N 2 1 230.355 2.391 20 0 BEADMP CC(C)OCCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422639442 387610456 /nfs/dbraw/zinc/61/04/56/387610456.db2.gz STWJQDBILPSPEE-MCIONIFRSA-N 2 1 242.407 2.107 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(N)c2)C[C@@H]1C[NH3+] ZINC000422641332 387610955 /nfs/dbraw/zinc/61/09/55/387610955.db2.gz XQUJCNFXBUZMJN-DYEKYZERSA-N 2 1 247.386 2.074 20 0 BEADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(Cl)c(F)c1 ZINC000643516091 387621964 /nfs/dbraw/zinc/62/19/64/387621964.db2.gz BHRQKWTVTIHMGR-QMMMGPOBSA-N 2 1 242.725 2.349 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)c(C)n1 ZINC000643516382 387623639 /nfs/dbraw/zinc/62/36/39/387623639.db2.gz NBSLATPGHVALAK-QMTHXVAHSA-N 2 1 233.359 2.086 20 0 BEADMP C[N@H+](C[Si](C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367206376 387550118 /nfs/dbraw/zinc/55/01/18/387550118.db2.gz QHZFJLVXFMPQIG-FUNVUKJBSA-N 2 1 240.467 2.421 20 0 BEADMP C[N@@H+](C[Si](C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367206376 387550122 /nfs/dbraw/zinc/55/01/22/387550122.db2.gz QHZFJLVXFMPQIG-FUNVUKJBSA-N 2 1 240.467 2.421 20 0 BEADMP C[NH+](C[Si](C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367206376 387550126 /nfs/dbraw/zinc/55/01/26/387550126.db2.gz QHZFJLVXFMPQIG-FUNVUKJBSA-N 2 1 240.467 2.421 20 0 BEADMP C[NH+](C[Si](C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367206376 387550130 /nfs/dbraw/zinc/55/01/30/387550130.db2.gz QHZFJLVXFMPQIG-FUNVUKJBSA-N 2 1 240.467 2.421 20 0 BEADMP CCC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccccn1 ZINC000422723087 387633728 /nfs/dbraw/zinc/63/37/28/387633728.db2.gz ZNVJWVZOLNOOCU-CQSZACIVSA-N 2 1 233.359 2.264 20 0 BEADMP Cc1ccc(CC[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000430648743 387635574 /nfs/dbraw/zinc/63/55/74/387635574.db2.gz HKQDIROZCNVLGT-OAHLLOKOSA-N 2 1 232.371 2.208 20 0 BEADMP C[C@H]1CCCC[C@H]1OCC[NH+]1CCC([NH3+])CC1 ZINC000430630989 387635654 /nfs/dbraw/zinc/63/56/54/387635654.db2.gz SNLONNPIEDUGGN-GXTWGEPZSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@H]1CC(CC[N@@H+]2CC[C@@H]([NH3+])C2)C[C@H](C)C1 ZINC000430640450 387636435 /nfs/dbraw/zinc/63/64/35/387636435.db2.gz KFTFVBNZEUZAIF-YRGRVCCFSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@H]1CC(CC[N@H+]2CC[C@@H]([NH3+])C2)C[C@H](C)C1 ZINC000430640450 387636440 /nfs/dbraw/zinc/63/64/40/387636440.db2.gz KFTFVBNZEUZAIF-YRGRVCCFSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H]([NH2+]Cc1ccccc1Cl)C1C[NH2+]C1 ZINC000422727132 387636821 /nfs/dbraw/zinc/63/68/21/387636821.db2.gz GUUOEOVEFPHXFI-SECBINFHSA-N 2 1 224.735 2.038 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527631720 387643488 /nfs/dbraw/zinc/64/34/88/387643488.db2.gz OCQDPNSRYAULSC-SWHYSGLUSA-N 2 1 222.376 2.105 20 0 BEADMP C[C@@H]([NH2+]CCc1ccccc1)c1c[nH+]ccc1N ZINC000422741378 387647844 /nfs/dbraw/zinc/64/78/44/387647844.db2.gz DJEUWHRECLLIAO-GFCCVEGCSA-N 2 1 241.338 2.387 20 0 BEADMP CCCCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422748843 387653229 /nfs/dbraw/zinc/65/32/29/387653229.db2.gz WNABFEBTUBPEFY-JTQLQIEISA-N 2 1 207.321 2.335 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527667994 387653962 /nfs/dbraw/zinc/65/39/62/387653962.db2.gz SOTNFLBSYZJUIK-SIGLWIIPSA-N 2 1 236.403 2.493 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527667994 387653969 /nfs/dbraw/zinc/65/39/69/387653969.db2.gz SOTNFLBSYZJUIK-SIGLWIIPSA-N 2 1 236.403 2.493 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCNc1ccccc1 ZINC000422754267 387657575 /nfs/dbraw/zinc/65/75/75/387657575.db2.gz JJOVQIRZLPCNPO-DZGCQCFKSA-N 2 1 247.386 2.076 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527656709 387662516 /nfs/dbraw/zinc/66/25/16/387662516.db2.gz JBDSYYVYTCHZHH-DHMWGJHJSA-N 2 1 236.403 2.352 20 0 BEADMP CC(C)[C@H](C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422773508 387670012 /nfs/dbraw/zinc/67/00/12/387670012.db2.gz UFYCKZKMFIFJAJ-MNOVXSKESA-N 2 1 221.348 2.437 20 0 BEADMP C1=CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000527742480 387686448 /nfs/dbraw/zinc/68/64/48/387686448.db2.gz BQNDOLTUBLAUGA-KGLIPLIRSA-N 2 1 220.360 2.169 20 0 BEADMP CC[C@H](F)CN(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000440770704 387689846 /nfs/dbraw/zinc/68/98/46/387689846.db2.gz KSZSYUCCHGMPGZ-AGIUHOORSA-N 2 1 230.371 2.397 20 0 BEADMP CC[C@H](F)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000440770704 387689850 /nfs/dbraw/zinc/68/98/50/387689850.db2.gz KSZSYUCCHGMPGZ-AGIUHOORSA-N 2 1 230.371 2.397 20 0 BEADMP CC[C@H](F)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000440770704 387689854 /nfs/dbraw/zinc/68/98/54/387689854.db2.gz KSZSYUCCHGMPGZ-AGIUHOORSA-N 2 1 230.371 2.397 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000643526300 387748501 /nfs/dbraw/zinc/74/85/01/387748501.db2.gz XXTTWOFHZXPKDK-IUCAKERBSA-N 2 1 244.285 2.286 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000643526298 387749523 /nfs/dbraw/zinc/74/95/23/387749523.db2.gz XXTTWOFHZXPKDK-BDAKNGLRSA-N 2 1 244.285 2.286 20 0 BEADMP Cc1cc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])c(C)s1 ZINC000643526334 387749548 /nfs/dbraw/zinc/74/95/48/387749548.db2.gz ZVVHNWZJWZURQO-VXNVDRBHSA-N 2 1 212.362 2.363 20 0 BEADMP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643526309 387749935 /nfs/dbraw/zinc/74/99/35/387749935.db2.gz YYKAHDUDARGASG-VXGBXAGGSA-N 2 1 236.359 2.473 20 0 BEADMP CCOc1cccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000422878758 387756560 /nfs/dbraw/zinc/75/65/60/387756560.db2.gz KOBJREQDIAOQJS-KGLIPLIRSA-N 2 1 234.343 2.055 20 0 BEADMP Cc1ncc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)s1 ZINC000643525848 387754021 /nfs/dbraw/zinc/75/40/21/387754021.db2.gz UVFYJYQSZYVPTP-YWVKMMECSA-N 2 1 239.388 2.243 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@H]1CCSc2ccccc21 ZINC000643526084 387754348 /nfs/dbraw/zinc/75/43/48/387754348.db2.gz OVXPAYCHWLZDHM-ONGXEEELSA-N 2 1 222.357 2.160 20 0 BEADMP CSCCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000377236110 387704543 /nfs/dbraw/zinc/70/45/43/387704543.db2.gz DRBOMEBQJQMPSR-UHFFFAOYSA-N 2 1 242.432 2.300 20 0 BEADMP CSCCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000377236110 387704551 /nfs/dbraw/zinc/70/45/51/387704551.db2.gz DRBOMEBQJQMPSR-UHFFFAOYSA-N 2 1 242.432 2.300 20 0 BEADMP C[C@@H](Cc1cccs1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422809715 387707425 /nfs/dbraw/zinc/70/74/25/387707425.db2.gz QGTXZYHWYFYWPY-GMXVVIOVSA-N 2 1 238.400 2.409 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000422809983 387707525 /nfs/dbraw/zinc/70/75/25/387707525.db2.gz MXLDHRPNOQDGIK-HIFRSBDPSA-N 2 1 244.382 2.306 20 0 BEADMP C[C@H](Cc1cccs1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000643520930 387708103 /nfs/dbraw/zinc/70/81/03/387708103.db2.gz DUXMWGLGVSCPNR-WZRBSPASSA-N 2 1 238.400 2.267 20 0 BEADMP C[C@@H]([NH2+]CC1(c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422809695 387709202 /nfs/dbraw/zinc/70/92/02/387709202.db2.gz MNVVDSSSBDVCGV-HIFRSBDPSA-N 2 1 244.382 2.448 20 0 BEADMP C[C@@H]([NH2+]CCc1ccsc1)c1c[nH+]ccc1N ZINC000422810632 387709219 /nfs/dbraw/zinc/70/92/19/387709219.db2.gz RZWKLWRVOOYEDX-SNVBAGLBSA-N 2 1 247.367 2.449 20 0 BEADMP CCC[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccccc1 ZINC000643525946 387755373 /nfs/dbraw/zinc/75/53/73/387755373.db2.gz JOOJPSAUSCEKTA-WCQYABFASA-N 2 1 206.333 2.465 20 0 BEADMP c1cnc2c(c1)CCC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522895 387725068 /nfs/dbraw/zinc/72/50/68/387725068.db2.gz UNSSHUCNJHEWRE-UONOGXRCSA-N 2 1 245.370 2.191 20 0 BEADMP c1coc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000127807420 387725620 /nfs/dbraw/zinc/72/56/20/387725620.db2.gz OUOOAHJYDHTKBJ-QWHCGFSZSA-N 2 1 234.343 2.039 20 0 BEADMP c1cnc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522896 387726076 /nfs/dbraw/zinc/72/60/76/387726076.db2.gz UNSSHUCNJHEWRE-ZIAGYGMSSA-N 2 1 245.370 2.191 20 0 BEADMP CCOCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422832171 387726399 /nfs/dbraw/zinc/72/63/99/387726399.db2.gz KMIMRVWONRHEPA-LSDHHAIUSA-N 2 1 248.370 2.193 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000356877076 387737953 /nfs/dbraw/zinc/73/79/53/387737953.db2.gz RVNCSHIRFXTCBH-KBPBESRZSA-N 2 1 242.407 2.121 20 0 BEADMP CO[C@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000441223261 387738060 /nfs/dbraw/zinc/73/80/60/387738060.db2.gz CRUKYFZISLRMCM-IHRRRGAJSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CC12CC2 ZINC000527864750 387738503 /nfs/dbraw/zinc/73/85/03/387738503.db2.gz KLOGLHBIYSUOHG-WUHRBBMRSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CC12CC2 ZINC000527864750 387738509 /nfs/dbraw/zinc/73/85/09/387738509.db2.gz KLOGLHBIYSUOHG-WUHRBBMRSA-N 2 1 222.376 2.247 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])c(C)c1 ZINC000643525875 387756064 /nfs/dbraw/zinc/75/60/64/387756064.db2.gz GOPODUKNSPUQRI-NWDGAFQWSA-N 2 1 206.333 2.301 20 0 BEADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@@H](C)[NH3+] ZINC000643527359 387763385 /nfs/dbraw/zinc/76/33/85/387763385.db2.gz LLPOAGUYJRWNQH-QMTHXVAHSA-N 2 1 248.370 2.354 20 0 BEADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@@H](C)[NH3+] ZINC000643527360 387763870 /nfs/dbraw/zinc/76/38/70/387763870.db2.gz LLPOAGUYJRWNQH-YGRLFVJLSA-N 2 1 248.370 2.354 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000643527595 387765664 /nfs/dbraw/zinc/76/56/64/387765664.db2.gz OZLGTBNTKIEOCR-NRUUGDAUSA-N 2 1 204.317 2.172 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000643528199 387767982 /nfs/dbraw/zinc/76/79/82/387767982.db2.gz FJEDJRUHGITRNZ-ZANVPECISA-N 2 1 222.307 2.214 20 0 BEADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)[NH3+])CCC2 ZINC000643528443 387769536 /nfs/dbraw/zinc/76/95/36/387769536.db2.gz JDHHEFQNDJWDFX-SMDDNHRTSA-N 2 1 218.344 2.309 20 0 BEADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)[NH3+])CCC2 ZINC000643528396 387769738 /nfs/dbraw/zinc/76/97/38/387769738.db2.gz IRJWJSKJTXKHFO-QMTHXVAHSA-N 2 1 234.343 2.009 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000422911243 387769704 /nfs/dbraw/zinc/76/97/04/387769704.db2.gz SJDKPRFDJWGWKZ-IVMMDQJWSA-N 2 1 244.382 2.304 20 0 BEADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)[NH3+])CCC2 ZINC000643528440 387770287 /nfs/dbraw/zinc/77/02/87/387770287.db2.gz JDHHEFQNDJWDFX-BXUZGUMPSA-N 2 1 218.344 2.309 20 0 BEADMP CSc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643528621 387770576 /nfs/dbraw/zinc/77/05/76/387770576.db2.gz MELTXMRCERDBPW-NXEZZACHSA-N 2 1 224.373 2.406 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000643528850 387771350 /nfs/dbraw/zinc/77/13/50/387771350.db2.gz QESSTFQQGSKVFW-MNOVXSKESA-N 2 1 218.344 2.173 20 0 BEADMP CCc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])s1 ZINC000643528927 387772897 /nfs/dbraw/zinc/77/28/97/387772897.db2.gz QVUNUDBPVPUZQS-IUCAKERBSA-N 2 1 212.362 2.308 20 0 BEADMP CC(C)C1(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422918553 387773675 /nfs/dbraw/zinc/77/36/75/387773675.db2.gz HNLQOBKZHJEKOU-RYUDHWBXSA-N 2 1 210.365 2.010 20 0 BEADMP Cc1cc([C@@H](C)[NH2+]C[C@H](C)[NH3+])cc(C)c1F ZINC000643529076 387773740 /nfs/dbraw/zinc/77/37/40/387773740.db2.gz UKJONSPXGRJHEN-WDEREUQCSA-N 2 1 224.323 2.440 20 0 BEADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](C)[NH3+] ZINC000643528059 387774781 /nfs/dbraw/zinc/77/47/81/387774781.db2.gz YJLCFIKYFOZJNE-WZRBSPASSA-N 2 1 218.344 2.480 20 0 BEADMP CC[C@H]([NH2+]C[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000643529217 387774848 /nfs/dbraw/zinc/77/48/48/387774848.db2.gz WZSLMNJQCYBMHK-GWCFXTLKSA-N 2 1 222.332 2.083 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2sccc21 ZINC000643529097 387775586 /nfs/dbraw/zinc/77/55/86/387775586.db2.gz VETNZUKNYQFSSN-PSASIEDQSA-N 2 1 210.346 2.062 20 0 BEADMP COc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])c(C)c1 ZINC000643529685 387778073 /nfs/dbraw/zinc/77/80/73/387778073.db2.gz NCJKJDRTWCYZKQ-MNOVXSKESA-N 2 1 222.332 2.001 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC2CC=CC2)[C@H]2CCC[C@H]21 ZINC000527944011 387780691 /nfs/dbraw/zinc/78/06/91/387780691.db2.gz BDROIXWANAGQGV-QLFBSQMISA-N 2 1 234.387 2.415 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC2CC=CC2)CC[N@H+]1C ZINC000527945551 387781593 /nfs/dbraw/zinc/78/15/93/387781593.db2.gz SGIYLIYGBRAERS-YPMHNXCESA-N 2 1 208.349 2.025 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CC=CC1 ZINC000527947010 387783681 /nfs/dbraw/zinc/78/36/81/387783681.db2.gz WEBOSCMHYLRRJE-YRGRVCCFSA-N 2 1 222.376 2.271 20 0 BEADMP C[C@@H]1C[N@@H+](CCC[NH2+]CC(C)(C)C)CCCO1 ZINC000432363079 387785335 /nfs/dbraw/zinc/78/53/35/387785335.db2.gz SBCMHUSSKVNNIM-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@@H]([NH2+]Cc1ccc(Cl)s1)C1C[NH2+]C1 ZINC000422945579 387785558 /nfs/dbraw/zinc/78/55/58/387785558.db2.gz UYSQETPZSJUUBN-SSDOTTSWSA-N 2 1 230.764 2.099 20 0 BEADMP C[C@@H]([NH2+]CC1CCCC1)c1c[nH+]ccc1N ZINC000422900991 387786032 /nfs/dbraw/zinc/78/60/32/387786032.db2.gz RJKRXXOCFMKTFB-SNVBAGLBSA-N 2 1 219.332 2.335 20 0 BEADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)Oc1ccccc1 ZINC000422980135 387791986 /nfs/dbraw/zinc/79/19/86/387791986.db2.gz KZIDMKTVSVYNAZ-IPYPFGDCSA-N 2 1 248.370 2.184 20 0 BEADMP CCC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)OCC ZINC000527931943 387795000 /nfs/dbraw/zinc/79/50/00/387795000.db2.gz ONFWXFBPOPPQRD-MCIONIFRSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000422999181 387804853 /nfs/dbraw/zinc/80/48/53/387804853.db2.gz DVIJNVRXOBAZAG-DGCLKSJQSA-N 2 1 222.376 2.154 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@]2(C)OC(C)C)CC1 ZINC000528001040 387808204 /nfs/dbraw/zinc/80/82/04/387808204.db2.gz UIAPQXFDYJAMKX-KGLIPLIRSA-N 2 1 240.391 2.016 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CC23CC3)C1 ZINC000527855957 387757355 /nfs/dbraw/zinc/75/73/55/387757355.db2.gz XKJUXRAHAQPYRP-BFHYXJOUSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@@H]([NH2+]C[C@H](C)[NH3+])c1cccc(F)c1 ZINC000643526591 387758189 /nfs/dbraw/zinc/75/81/89/387758189.db2.gz BSYZADJGBYUECZ-JOYOIKCWSA-N 2 1 210.296 2.214 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000643527058 387761544 /nfs/dbraw/zinc/76/15/44/387761544.db2.gz COEPVTWVMNSRME-UFBFGSQYSA-N 2 1 224.735 2.264 20 0 BEADMP C[C@H]([NH2+]CCc1ccccc1O)[C@H]1CCCC[NH2+]1 ZINC000422973464 387821742 /nfs/dbraw/zinc/82/17/42/387821742.db2.gz OTRMWNJIPGDDJK-GXTWGEPZSA-N 2 1 248.370 2.055 20 0 BEADMP Cc1ccsc1CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423013405 387835725 /nfs/dbraw/zinc/83/57/25/387835725.db2.gz FVHZNSRSQRKIJM-RYUDHWBXSA-N 2 1 238.400 2.329 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC12CCC(CC1)C2 ZINC000423018206 387842081 /nfs/dbraw/zinc/84/20/81/387842081.db2.gz YKSITDLEHKWFFB-AHPWVWPOSA-N 2 1 222.376 2.154 20 0 BEADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1C[C@H]1C ZINC000322025195 387856120 /nfs/dbraw/zinc/85/61/20/387856120.db2.gz LAXQQBIBALMDSD-WXHSDQCUSA-N 2 1 210.365 2.105 20 0 BEADMP C[N@@H+]1C[C@@H]2C[NH+](CCCc3ccccc3)C[C@@H]2C1 ZINC000193604554 387856322 /nfs/dbraw/zinc/85/63/22/387856322.db2.gz UBLWNEUTTNEUNH-IYBDPMFKSA-N 2 1 244.382 2.113 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](CCCc3ccccc3)C[C@@H]2C1 ZINC000193604554 387856324 /nfs/dbraw/zinc/85/63/24/387856324.db2.gz UBLWNEUTTNEUNH-IYBDPMFKSA-N 2 1 244.382 2.113 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+](CCCc3ccccc3)C[C@@H]2C1 ZINC000193604554 387856326 /nfs/dbraw/zinc/85/63/26/387856326.db2.gz UBLWNEUTTNEUNH-IYBDPMFKSA-N 2 1 244.382 2.113 20 0 BEADMP C[C@@H]([NH2+]C[C@H](C)C(F)(F)F)c1c[nH+]ccc1N ZINC000423051311 387860099 /nfs/dbraw/zinc/86/00/99/387860099.db2.gz NBLXFDIHFHFVIH-JGVFFNPUSA-N 2 1 247.264 2.343 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC12CCCC2)[C@H]1CCCC[NH2+]1 ZINC000423071929 387871774 /nfs/dbraw/zinc/87/17/74/387871774.db2.gz GLJLYQPPKLWPCG-JHJVBQTASA-N 2 1 222.376 2.439 20 0 BEADMP C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000442665634 387818428 /nfs/dbraw/zinc/81/84/28/387818428.db2.gz PUPUJQPWZITGMH-YPMHNXCESA-N 2 1 236.334 2.037 20 0 BEADMP C[C@@H]([NH3+])C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000442665634 387818431 /nfs/dbraw/zinc/81/84/31/387818431.db2.gz PUPUJQPWZITGMH-YPMHNXCESA-N 2 1 236.334 2.037 20 0 BEADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423105671 387892176 /nfs/dbraw/zinc/89/21/76/387892176.db2.gz ZFNQESXXNPYYIA-VOAKCMCISA-N 2 1 210.365 2.010 20 0 BEADMP C[C@H](CCC[NH3+])[NH2+]CC(F)(F)c1ccccc1 ZINC000423123739 387903196 /nfs/dbraw/zinc/90/31/96/387903196.db2.gz NCWUYMLMFMIIBC-LLVKDONJSA-N 2 1 242.313 2.495 20 0 BEADMP CCCc1nc(C)c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])o1 ZINC000423138540 387916872 /nfs/dbraw/zinc/91/68/72/387916872.db2.gz XVWTYCXIGLYZBD-UWVGGRQHSA-N 2 1 239.363 2.151 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCCC1(F)F)[C@H]1CCC[NH2+]1 ZINC000423157822 387937069 /nfs/dbraw/zinc/93/70/69/387937069.db2.gz VYKSHUMMMFJIRX-GMTAPVOTSA-N 2 1 232.318 2.152 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424288178 387952114 /nfs/dbraw/zinc/95/21/14/387952114.db2.gz IGLOJIYQASLAGX-MXAVVETBSA-N 2 1 236.403 2.352 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccncc2)C1 ZINC000245514866 387952891 /nfs/dbraw/zinc/95/28/91/387952891.db2.gz GOEDZZMCOMJCIJ-ZIAGYGMSSA-N 2 1 247.386 2.464 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccncc2)C1 ZINC000245514865 387953917 /nfs/dbraw/zinc/95/39/17/387953917.db2.gz GOEDZZMCOMJCIJ-KGLIPLIRSA-N 2 1 247.386 2.464 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC000044535275 387937917 /nfs/dbraw/zinc/93/79/17/387937917.db2.gz SGEVKUMOJBZSJO-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000044534432 387938630 /nfs/dbraw/zinc/93/86/30/387938630.db2.gz VNFMKHHNONJAKW-LLVKDONJSA-N 2 1 222.376 2.106 20 0 BEADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cccs1 ZINC000238576552 387941150 /nfs/dbraw/zinc/94/11/50/387941150.db2.gz IVFXJVVIRIKHBP-GHMZBOCLSA-N 2 1 210.346 2.108 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CCCC[C@@H]1C ZINC000394834724 387942462 /nfs/dbraw/zinc/94/24/62/387942462.db2.gz QDKDOBKEPNTEEC-STQMWFEESA-N 2 1 212.381 2.354 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000321089845 387945385 /nfs/dbraw/zinc/94/53/85/387945385.db2.gz NGRCTPBNKSXJRZ-XQQFMLRXSA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000321089845 387945391 /nfs/dbraw/zinc/94/53/91/387945391.db2.gz NGRCTPBNKSXJRZ-XQQFMLRXSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@H]1C[C@H]1C ZINC000321098381 387947065 /nfs/dbraw/zinc/94/70/65/387947065.db2.gz ONXSTUJIIKINSD-CZXHOFHRSA-N 2 1 222.376 2.105 20 0 BEADMP CC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H](C)C(C)C ZINC000226437207 387947830 /nfs/dbraw/zinc/94/78/30/387947830.db2.gz UPBZWXISNFUCNT-QWHCGFSZSA-N 2 1 212.381 2.352 20 0 BEADMP COc1ccc([C@@H](C)[NH2+]CC[NH3+])c2ccccc12 ZINC000423176221 387961242 /nfs/dbraw/zinc/96/12/42/387961242.db2.gz FSNNANANLDTEDW-LLVKDONJSA-N 2 1 244.338 2.458 20 0 BEADMP C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1c[nH+]ccc1N ZINC000423176920 387962940 /nfs/dbraw/zinc/96/29/40/387962940.db2.gz GOVNBPPBISSRSJ-KXUCPTDWSA-N 2 1 237.372 2.039 20 0 BEADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)[C@@H]1C[C@H]1C ZINC000423182843 387967395 /nfs/dbraw/zinc/96/73/95/387967395.db2.gz FSXTYXNHVXYYQY-UMVBOHGHSA-N 2 1 247.386 2.195 20 0 BEADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)[C@H]1C[C@H]1C ZINC000423182841 387968188 /nfs/dbraw/zinc/96/81/88/387968188.db2.gz FSXTYXNHVXYYQY-IPYPFGDCSA-N 2 1 247.386 2.195 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)CC[N@@H+]1C ZINC000424318193 387968321 /nfs/dbraw/zinc/96/83/21/387968321.db2.gz CRHUXPWOLNFGSM-RUZUBIRVSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)CC[N@H+]1C ZINC000424318193 387968323 /nfs/dbraw/zinc/96/83/23/387968323.db2.gz CRHUXPWOLNFGSM-RUZUBIRVSA-N 2 1 222.376 2.247 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)[C@@H](C)C1 ZINC000424319582 387969934 /nfs/dbraw/zinc/96/99/34/387969934.db2.gz FEKSCFMAMSUSRE-CYUUQNCZSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)C1C(C)(C)C1(C)C ZINC000423186549 387971143 /nfs/dbraw/zinc/97/11/43/387971143.db2.gz KIHMYDYUHUSUNI-QWRGUYRKSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCC[C@@H]1C1CC1 ZINC000423171529 387956852 /nfs/dbraw/zinc/95/68/52/387956852.db2.gz OUSNPZCBYBAXGX-NGFQHRJXSA-N 2 1 236.403 2.400 20 0 BEADMP CCc1cccnc1[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000423193902 387979516 /nfs/dbraw/zinc/97/95/16/387979516.db2.gz XIVLHQXFAVNOAC-LLVKDONJSA-N 2 1 233.359 2.047 20 0 BEADMP CC(C)C[C@@H]([NH2+]CC[NH3+])c1cccs1 ZINC000423194162 387979787 /nfs/dbraw/zinc/97/97/87/387979787.db2.gz WPHYQIUXZSZEHB-SNVBAGLBSA-N 2 1 212.362 2.384 20 0 BEADMP COc1ccsc1[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000423189272 387974290 /nfs/dbraw/zinc/97/42/90/387974290.db2.gz QXKOVDCYMHQCFY-VIFPVBQESA-N 2 1 240.372 2.159 20 0 BEADMP CC(C)[C@H]1C[C@@H]([NH2+]CC[NH3+])c2ccccc21 ZINC000423190917 387975503 /nfs/dbraw/zinc/97/55/03/387975503.db2.gz SXPPEIUKUWTQCB-ZIAGYGMSSA-N 2 1 218.344 2.419 20 0 BEADMP CC(C)[C@H]1C[C@H]([NH2+]CC[NH3+])c2ccccc21 ZINC000423190913 387975610 /nfs/dbraw/zinc/97/56/10/387975610.db2.gz SXPPEIUKUWTQCB-KGLIPLIRSA-N 2 1 218.344 2.419 20 0 BEADMP Cc1ccnc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000423206820 387991573 /nfs/dbraw/zinc/99/15/73/387991573.db2.gz CDADKPFXQNFRII-RDBSUJKOSA-N 2 1 247.386 2.429 20 0 BEADMP C[NH2+]CCC[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000423198100 387983253 /nfs/dbraw/zinc/98/32/53/387983253.db2.gz DCKPVNBHVHUKSY-CQSZACIVSA-N 2 1 248.370 2.408 20 0 BEADMP CCc1nc(C)c([C@H](C)[NH2+]CCC[NH2+]C)s1 ZINC000423198123 387984704 /nfs/dbraw/zinc/98/47/04/387984704.db2.gz DFXHBZIVNFKTCU-VIFPVBQESA-N 2 1 241.404 2.274 20 0 BEADMP C[NH2+]CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000423199158 387986318 /nfs/dbraw/zinc/98/63/18/387986318.db2.gz JIBLEEJVTWTTEX-VIFPVBQESA-N 2 1 228.286 2.225 20 0 BEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccn2)C1 ZINC000245836532 387986438 /nfs/dbraw/zinc/98/64/38/387986438.db2.gz AQUXCQFZRLTGJO-KGLIPLIRSA-N 2 1 247.386 2.464 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccn2)C1 ZINC000245836532 387986441 /nfs/dbraw/zinc/98/64/41/387986441.db2.gz AQUXCQFZRLTGJO-KGLIPLIRSA-N 2 1 247.386 2.464 20 0 BEADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)o1 ZINC000423214274 387996889 /nfs/dbraw/zinc/99/68/89/387996889.db2.gz ONUOKAWJENTOTP-VXGBXAGGSA-N 2 1 236.359 2.492 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424375936 387999919 /nfs/dbraw/zinc/99/99/19/387999919.db2.gz KUSMSFOZPDDWJO-SAXRGWBVSA-N 2 1 222.376 2.010 20 0 BEADMP Cc1ccccc1C[C@@H]([NH2+][C@H]1CC[NH2+]C1)C1CC1 ZINC000423219021 388000163 /nfs/dbraw/zinc/00/01/63/388000163.db2.gz VMEXWWZPMMHYRI-JKSUJKDBSA-N 2 1 244.382 2.268 20 0 BEADMP C[NH2+]CC[NH2+][C@H](Cc1ccc(C)cc1)C(C)C ZINC000423225626 388007393 /nfs/dbraw/zinc/00/73/93/388007393.db2.gz NNHREPKWEKPMKL-OAHLLOKOSA-N 2 1 234.387 2.371 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@H](C)C[C@H]1CC ZINC000423240453 388023923 /nfs/dbraw/zinc/02/39/23/388023923.db2.gz GXPISTKSAPNJLK-YNEHKIRRSA-N 2 1 212.381 2.400 20 0 BEADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000423228279 388014004 /nfs/dbraw/zinc/01/40/04/388014004.db2.gz YYSOQXMLCIWEIA-IUCAKERBSA-N 2 1 227.739 2.123 20 0 BEADMP C[NH2+]CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000423235443 388019557 /nfs/dbraw/zinc/01/95/57/388019557.db2.gz AZHRNDYUHOCEAL-KGLIPLIRSA-N 2 1 218.344 2.132 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](C)[C@H]1CCCC[C@H]1C ZINC000423236573 388021183 /nfs/dbraw/zinc/02/11/83/388021183.db2.gz OGVRIXJFZAWJEZ-UPJWGTAASA-N 2 1 212.381 2.400 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000423251286 388033790 /nfs/dbraw/zinc/03/37/90/388033790.db2.gz VRQJDDJSQKNRLQ-JTQLQIEISA-N 2 1 234.334 2.400 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000423253474 388034834 /nfs/dbraw/zinc/03/48/34/388034834.db2.gz ZDWVYSZYDMBKQR-CHWSQXEVSA-N 2 1 212.381 2.400 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000423259416 388038506 /nfs/dbraw/zinc/03/85/06/388038506.db2.gz DRJRHEQBYKWPPX-ZWNOBZJWSA-N 2 1 224.323 2.460 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000423259412 388039093 /nfs/dbraw/zinc/03/90/93/388039093.db2.gz DRJRHEQBYKWPPX-GWCFXTLKSA-N 2 1 224.323 2.460 20 0 BEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccncc1 ZINC000423258094 388039263 /nfs/dbraw/zinc/03/92/63/388039263.db2.gz AYYCCUNVHMIVAT-YPMHNXCESA-N 2 1 221.348 2.106 20 0 BEADMP Cc1ccncc1[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423262452 388039893 /nfs/dbraw/zinc/03/98/93/388039893.db2.gz MQROJCIQWQSGTP-QWHCGFSZSA-N 2 1 235.375 2.414 20 0 BEADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)C1CC1 ZINC000423262734 388041105 /nfs/dbraw/zinc/04/11/05/388041105.db2.gz NGQIFBXODFEVKX-MFKMUULPSA-N 2 1 210.365 2.282 20 0 BEADMP [NH3+]C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)C1CC1 ZINC000423264606 388042187 /nfs/dbraw/zinc/04/21/87/388042187.db2.gz AJDZYAITTHYXSX-UONOGXRCSA-N 2 1 234.318 2.140 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000423264863 388042344 /nfs/dbraw/zinc/04/23/44/388042344.db2.gz CJDSETBFBLVZFQ-NHYWBVRUSA-N 2 1 248.370 2.351 20 0 BEADMP CCC[C@@H](C)[C@@H](CC)[NH2+]CC[NH2+]CC ZINC000423244600 388028163 /nfs/dbraw/zinc/02/81/63/388028163.db2.gz LHXPWKBESVKCKQ-VXGBXAGGSA-N 2 1 200.370 2.400 20 0 BEADMP Cc1ccsc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423273454 388052620 /nfs/dbraw/zinc/05/26/20/388052620.db2.gz IXGZCBRQGFYHON-MWLCHTKSSA-N 2 1 224.373 2.444 20 0 BEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)C1C(C)(C)C1(C)C ZINC000423273832 388053382 /nfs/dbraw/zinc/05/33/82/388053382.db2.gz JOHMHRGIDQSJPM-ONGXEEELSA-N 2 1 224.392 2.384 20 0 BEADMP C[C@@H](CCC[NH3+])NCC[NH2+]C1CCCCCC1 ZINC000423275011 388055229 /nfs/dbraw/zinc/05/52/29/388055229.db2.gz LGZBCVLHZLXMGE-ZDUSSCGKSA-N 2 1 241.423 2.016 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H](C[NH3+])C2CC2)[C@@H](C)C1 ZINC000423275594 388056922 /nfs/dbraw/zinc/05/69/22/388056922.db2.gz LWAOTBHKSRHNPY-URBCHYCLSA-N 2 1 210.365 2.138 20 0 BEADMP COc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423279614 388061557 /nfs/dbraw/zinc/06/15/57/388061557.db2.gz RQUDMGOTUQIVRV-YGRLFVJLSA-N 2 1 234.343 2.083 20 0 BEADMP Cc1cccc2c1CC[C@H]2[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423279909 388062109 /nfs/dbraw/zinc/06/21/09/388062109.db2.gz SBDNXNZYRQQANB-CABCVRRESA-N 2 1 230.355 2.309 20 0 BEADMP COc1cc([C@@H](C)[NH2+]CC(C)(C)[NH3+])ccc1F ZINC000423281227 388063755 /nfs/dbraw/zinc/06/37/55/388063755.db2.gz AZKAOXCULBXESR-SECBINFHSA-N 2 1 240.322 2.222 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@@H](C)O1 ZINC000453389448 388067319 /nfs/dbraw/zinc/06/73/19/388067319.db2.gz CKGXFVVMLJCCNM-YRGRVCCFSA-N 2 1 240.391 2.016 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](c1cccnc1)C(C)C ZINC000423285373 388068531 /nfs/dbraw/zinc/06/85/31/388068531.db2.gz ZFBDFIKDNLZODV-UONOGXRCSA-N 2 1 235.375 2.352 20 0 BEADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)C1CC1 ZINC000423286157 388070251 /nfs/dbraw/zinc/07/02/51/388070251.db2.gz ZSTNBKFAUCLQCX-HUUCEWRRSA-N 2 1 246.354 2.097 20 0 BEADMP Cc1nc(C)c([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)s1 ZINC000423286221 388071232 /nfs/dbraw/zinc/07/12/32/388071232.db2.gz ZZWNRBGLIHSTAD-GZMMTYOYSA-N 2 1 239.388 2.148 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@H]1CCCc2ccc(O)cc21)C1CC1 ZINC000423286156 388071553 /nfs/dbraw/zinc/07/15/53/388071553.db2.gz ZSTNBKFAUCLQCX-GJZGRUSLSA-N 2 1 246.354 2.097 20 0 BEADMP COc1cccc2c1CC[C@H]2[NH2+]CC(C)(C)[NH3+] ZINC000423288468 388072432 /nfs/dbraw/zinc/07/24/32/388072432.db2.gz SGKYPKWEAPLMCQ-GFCCVEGCSA-N 2 1 234.343 2.009 20 0 BEADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H]1CCCO1 ZINC000453404808 388074956 /nfs/dbraw/zinc/07/49/56/388074956.db2.gz PYVSDSJOSBWNOL-GXTWGEPZSA-N 2 1 240.391 2.018 20 0 BEADMP C(C[N@H+]1CCC[C@H]2CCC[C@H]21)[C@@H]1CC[NH2+]C1 ZINC000084386227 388078166 /nfs/dbraw/zinc/07/81/66/388078166.db2.gz OAUDKEJYPNAFMB-BFHYXJOUSA-N 2 1 222.376 2.251 20 0 BEADMP C[N@@H+](CCCC[NH2+]CC(C)(C)C)C1CC1 ZINC000453597541 388089831 /nfs/dbraw/zinc/08/98/31/388089831.db2.gz OBBDYHYEVDYSOP-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H](c1cccnc1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086637102 388105688 /nfs/dbraw/zinc/10/56/88/388105688.db2.gz JMHKZQPHZVUAER-LLVKDONJSA-N 2 1 221.348 2.059 20 0 BEADMP C[C@H](CC[NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000086729955 388107528 /nfs/dbraw/zinc/10/75/28/388107528.db2.gz BCXJVEYGINOXNH-OCCSQVGLSA-N 2 1 218.344 2.132 20 0 BEADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000083072561 388044824 /nfs/dbraw/zinc/04/48/24/388044824.db2.gz UWPJLDHMLQLZTA-GASCZTMLSA-N 2 1 230.355 2.118 20 0 BEADMP CSCC1CCC([NH2+][C@H](C[NH3+])C2CC2)CC1 ZINC000423266296 388046003 /nfs/dbraw/zinc/04/60/03/388046003.db2.gz BODQTQKPIMIEBO-KGPNIALWSA-N 2 1 242.432 2.235 20 0 BEADMP CC/C=C\C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000453332242 388049087 /nfs/dbraw/zinc/04/90/87/388049087.db2.gz VTNFZKLMTDQAFK-TXTSOVJRSA-N 2 1 222.376 2.415 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1sccc1OC ZINC000423270355 388049249 /nfs/dbraw/zinc/04/92/49/388049249.db2.gz HVWDILRPXWPTFF-UWVGGRQHSA-N 2 1 242.388 2.263 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423271371 388049804 /nfs/dbraw/zinc/04/98/04/388049804.db2.gz HGIQNDHIJRQOOD-SMDDNHRTSA-N 2 1 218.344 2.383 20 0 BEADMP Cc1cccc(CC[N@H+]2CCN3CCC2CC3)c1 ZINC000449324472 388172419 /nfs/dbraw/zinc/17/24/19/388172419.db2.gz FWYDTOFDEWQWKA-UHFFFAOYSA-N 2 1 244.382 2.318 20 0 BEADMP Cc1cccc(CCN2CC[NH+]3CCC2CC3)c1 ZINC000449324472 388172420 /nfs/dbraw/zinc/17/24/20/388172420.db2.gz FWYDTOFDEWQWKA-UHFFFAOYSA-N 2 1 244.382 2.318 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000449330513 388173976 /nfs/dbraw/zinc/17/39/76/388173976.db2.gz UKSQVYFHWWCYKW-AGIUHOORSA-N 2 1 244.448 2.448 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000449330513 388173978 /nfs/dbraw/zinc/17/39/78/388173978.db2.gz UKSQVYFHWWCYKW-AGIUHOORSA-N 2 1 244.448 2.448 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]CCc2cccc(C)c2)C1 ZINC000449089290 388140980 /nfs/dbraw/zinc/14/09/80/388140980.db2.gz JSYONNPVYLXHHP-MRXNPFEDSA-N 2 1 246.398 2.469 20 0 BEADMP C[N@@H+](CCCn1ccnc1)[C@@H]1CC1(C)C ZINC000489431735 388214219 /nfs/dbraw/zinc/21/42/19/388214219.db2.gz RSXWVGGZKRMIGA-LLVKDONJSA-N 2 1 207.321 2.004 20 0 BEADMP C[C@H](c1cccnc1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585617 388283178 /nfs/dbraw/zinc/28/31/78/388283178.db2.gz YOJAZWBQIYJTSE-YUELXQCFSA-N 2 1 245.370 2.074 20 0 BEADMP C[C@H](c1cccnc1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585617 388283180 /nfs/dbraw/zinc/28/31/80/388283180.db2.gz YOJAZWBQIYJTSE-YUELXQCFSA-N 2 1 245.370 2.074 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]C2CC(C(C)C)C2)C1 ZINC000233515535 388347665 /nfs/dbraw/zinc/34/76/65/388347665.db2.gz SRMMEEFEZKWIJU-IYXRBSQSSA-N 2 1 224.392 2.352 20 0 BEADMP CCOC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000233792947 388349326 /nfs/dbraw/zinc/34/93/26/388349326.db2.gz DSPFWPZGWGXGBQ-IHRRRGAJSA-N 2 1 242.407 2.120 20 0 BEADMP CCOC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000233792947 388349329 /nfs/dbraw/zinc/34/93/29/388349329.db2.gz DSPFWPZGWGXGBQ-IHRRRGAJSA-N 2 1 242.407 2.120 20 0 BEADMP Cc1sccc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000292996212 388385383 /nfs/dbraw/zinc/38/53/83/388385383.db2.gz OKBWKEFLQDGQHV-JTQLQIEISA-N 2 1 226.389 2.344 20 0 BEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1(C)CC1 ZINC000322716441 388444617 /nfs/dbraw/zinc/44/46/17/388444617.db2.gz PTXLPQXXCZJNDE-ODWCKFRGSA-N 2 1 222.376 2.390 20 0 BEADMP COC(C)(C)CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308612210 388444845 /nfs/dbraw/zinc/44/48/45/388444845.db2.gz BIWNMGGHSPYVOC-UHFFFAOYSA-N 2 1 242.407 2.266 20 0 BEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCc1cccnc1 ZINC000308637532 388446167 /nfs/dbraw/zinc/44/61/67/388446167.db2.gz URNWZVUJGXTIRX-UHFFFAOYSA-N 2 1 247.386 2.088 20 0 BEADMP CC(C)CC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397307828 388458354 /nfs/dbraw/zinc/45/83/54/388458354.db2.gz HPVQPSZYMPRVBA-AVGNSLFASA-N 2 1 212.381 2.338 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@H]1C ZINC000336686110 388462722 /nfs/dbraw/zinc/46/27/22/388462722.db2.gz UMULYPJBJVEETI-BJJPWKGXSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@H]1C ZINC000336686110 388462724 /nfs/dbraw/zinc/46/27/24/388462724.db2.gz UMULYPJBJVEETI-BJJPWKGXSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)[C@@H]1C ZINC000336702975 388464986 /nfs/dbraw/zinc/46/49/86/388464986.db2.gz QEGHCHDQGXSKQL-VEGXAWMVSA-N 2 1 210.365 2.103 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H]1C ZINC000336702975 388464988 /nfs/dbraw/zinc/46/49/88/388464988.db2.gz QEGHCHDQGXSKQL-VEGXAWMVSA-N 2 1 210.365 2.103 20 0 BEADMP CCC[C@H](C)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000336712247 388466719 /nfs/dbraw/zinc/46/67/19/388466719.db2.gz UXNXDUWPIJSGEL-CYDGBPFRSA-N 2 1 210.365 2.092 20 0 BEADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(C)CC2)s1 ZINC000336724925 388469705 /nfs/dbraw/zinc/46/97/05/388469705.db2.gz BLVPWKKWFUJFON-UHFFFAOYSA-N 2 1 239.388 2.094 20 0 BEADMP CCc1cc(NCC[N@@H+]2CC=CCC2)cc[nH+]1 ZINC000307772025 388425716 /nfs/dbraw/zinc/42/57/16/388425716.db2.gz ONNSNUBNWMTJAO-UHFFFAOYSA-N 2 1 231.343 2.318 20 0 BEADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)C1CCC1 ZINC000322367551 388432185 /nfs/dbraw/zinc/43/21/85/388432185.db2.gz ILUDRGCICOCQMY-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@](C)(C[NH2+]C1CC[NH+](C2CC2)CC1)OC ZINC000322550327 388438805 /nfs/dbraw/zinc/43/88/05/388438805.db2.gz VGOGAGNSNDLSEJ-AWEZNQCLSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CCC[NH+]2CCC2)C[C@@H]1C ZINC000520837860 388537516 /nfs/dbraw/zinc/53/75/16/388537516.db2.gz JFWMXLUGPDEKAJ-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)OC ZINC000356333472 388548286 /nfs/dbraw/zinc/54/82/86/388548286.db2.gz KYNXDFPWMLXFCU-HZSPNIEDSA-N 2 1 240.391 2.018 20 0 BEADMP C(C1CCCCC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310536007 388484745 /nfs/dbraw/zinc/48/47/45/388484745.db2.gz ATUJENBPZOFEDW-GASCZTMLSA-N 2 1 236.403 2.498 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000397776075 388498320 /nfs/dbraw/zinc/49/83/20/388498320.db2.gz BDDPBPWMJLPKQE-WYUUTHIRSA-N 2 1 228.405 2.001 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346842703 388521250 /nfs/dbraw/zinc/52/12/50/388521250.db2.gz IKDRWOKRBYQDHF-QMIVOQANSA-N 2 1 236.403 2.482 20 0 BEADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H](C[NH3+])C2)C1 ZINC000347093880 388521826 /nfs/dbraw/zinc/52/18/26/388521826.db2.gz GUQGYRUDRCRMGF-MGPQQGTHSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@H]([NH2+]CCCC1CC1)c1c[nH+]ccc1N ZINC000516173901 256768253 /nfs/dbraw/zinc/76/82/53/256768253.db2.gz JKAMHAJSNKDXKY-JTQLQIEISA-N 2 1 219.332 2.335 20 0 BEADMP CO[C@H](C[N@H+](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000379227963 388599933 /nfs/dbraw/zinc/59/99/33/388599933.db2.gz RTJHKPQDCRTHGM-OAHLLOKOSA-N 2 1 248.370 2.058 20 0 BEADMP CO[C@H](C[N@@H+](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000379227963 388599934 /nfs/dbraw/zinc/59/99/34/388599934.db2.gz RTJHKPQDCRTHGM-OAHLLOKOSA-N 2 1 248.370 2.058 20 0 BEADMP C[C@@H]1CCC[C@@H](C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)C1 ZINC000220396841 388604382 /nfs/dbraw/zinc/60/43/82/388604382.db2.gz GXQFRDSJRVWWGQ-APIJFGDWSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@H](O)C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000521029777 388559378 /nfs/dbraw/zinc/55/93/78/388559378.db2.gz QXRZLJLVOVPQAK-KGLIPLIRSA-N 2 1 242.407 2.002 20 0 BEADMP CCSCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000245445641 388580666 /nfs/dbraw/zinc/58/06/66/388580666.db2.gz ZBRAWCMEJDBGLS-QWHCGFSZSA-N 2 1 244.448 2.402 20 0 BEADMP CCSCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000245445641 388580670 /nfs/dbraw/zinc/58/06/70/388580670.db2.gz ZBRAWCMEJDBGLS-QWHCGFSZSA-N 2 1 244.448 2.402 20 0 BEADMP CCSCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000245445641 388580673 /nfs/dbraw/zinc/58/06/73/388580673.db2.gz ZBRAWCMEJDBGLS-QWHCGFSZSA-N 2 1 244.448 2.402 20 0 BEADMP CC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000125895789 388681121 /nfs/dbraw/zinc/68/11/21/388681121.db2.gz ZCIVWZNNYHPMRO-CHWSQXEVSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000125896027 388681409 /nfs/dbraw/zinc/68/14/09/388681409.db2.gz ZCIVWZNNYHPMRO-QWHCGFSZSA-N 2 1 212.381 2.495 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000530209321 388627397 /nfs/dbraw/zinc/62/73/97/388627397.db2.gz IWZWHMZYLBSAPM-GFCCVEGCSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@@H]1CC=CCC1 ZINC000530221847 388633035 /nfs/dbraw/zinc/63/30/35/388633035.db2.gz YPLWBVOGJIRORB-MGPQQGTHSA-N 2 1 222.376 2.320 20 0 BEADMP CC1(C)CC(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000530223920 388634446 /nfs/dbraw/zinc/63/44/46/388634446.db2.gz IXZSQOAVQVNLET-HNNXBMFYSA-N 2 1 236.403 2.498 20 0 BEADMP C[C@@H]1CC(F)(F)CC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000530233561 388636263 /nfs/dbraw/zinc/63/62/63/388636263.db2.gz WYORXZBTEBOTBF-VXGBXAGGSA-N 2 1 246.345 2.496 20 0 BEADMP C[C@H]1CC(F)(F)CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000530233601 388636682 /nfs/dbraw/zinc/63/66/82/388636682.db2.gz YKGQSHXOEXZHOT-NSHDSACASA-N 2 1 246.345 2.496 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCS2)[C@@H](C)C1 ZINC000246838245 388653089 /nfs/dbraw/zinc/65/30/89/388653089.db2.gz BLRTYROITLZHRK-XQQFMLRXSA-N 2 1 242.432 2.202 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCCCSC)[C@@H](C)C1 ZINC000223738264 388657886 /nfs/dbraw/zinc/65/78/86/388657886.db2.gz YGWJQASXJPGHBT-STQMWFEESA-N 2 1 244.448 2.450 20 0 BEADMP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000552013566 388658928 /nfs/dbraw/zinc/65/89/28/388658928.db2.gz GNCCCXFYMAYMTO-AWEZNQCLSA-N 2 1 247.386 2.075 20 0 BEADMP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000552013566 388658929 /nfs/dbraw/zinc/65/89/29/388658929.db2.gz GNCCCXFYMAYMTO-AWEZNQCLSA-N 2 1 247.386 2.075 20 0 BEADMP COCC[C@H](C)[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000247130288 388659525 /nfs/dbraw/zinc/65/95/25/388659525.db2.gz RRHNMIKRBQVSIG-RDBSUJKOSA-N 2 1 242.407 2.121 20 0 BEADMP COCC[C@H](C)[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000247130288 388659526 /nfs/dbraw/zinc/65/95/26/388659526.db2.gz RRHNMIKRBQVSIG-RDBSUJKOSA-N 2 1 242.407 2.121 20 0 BEADMP Cc1ccnc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000552043846 388664035 /nfs/dbraw/zinc/66/40/35/388664035.db2.gz DCEVBWWEORKLGL-KGLIPLIRSA-N 2 1 247.386 2.382 20 0 BEADMP Cc1ccnc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000552043846 388664037 /nfs/dbraw/zinc/66/40/37/388664037.db2.gz DCEVBWWEORKLGL-KGLIPLIRSA-N 2 1 247.386 2.382 20 0 BEADMP CCCCOCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000128011726 388736387 /nfs/dbraw/zinc/73/63/87/388736387.db2.gz WCAQOSVYICPHND-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC1 ZINC000250677951 388739451 /nfs/dbraw/zinc/73/94/51/388739451.db2.gz XBZMINNYVZZJGS-OLZOCXBDSA-N 2 1 208.349 2.003 20 0 BEADMP Cc1cccc(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)n1 ZINC000423084783 388688839 /nfs/dbraw/zinc/68/88/39/388688839.db2.gz IWEXFWSDZBVNSL-ZFWWWQNUSA-N 2 1 247.386 2.053 20 0 BEADMP c1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000248755677 388693497 /nfs/dbraw/zinc/69/34/97/388693497.db2.gz IONPZCPSSSCTFZ-CVEARBPZSA-N 2 1 244.382 2.446 20 0 BEADMP C[C@H]([N@@H+](C)C[C@@H]1CCC[NH2+]C1)C1(C)CC1 ZINC000226439206 388719856 /nfs/dbraw/zinc/71/98/56/388719856.db2.gz CURNQZUKQFPNCM-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000228150088 388770798 /nfs/dbraw/zinc/77/07/98/388770798.db2.gz ZFGHCPBRMVQXCP-QWRGUYRKSA-N 2 1 224.373 2.226 20 0 BEADMP CSCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703048 388772022 /nfs/dbraw/zinc/77/20/22/388772022.db2.gz BVZGTHZHIBGPLJ-OLZOCXBDSA-N 2 1 242.432 2.346 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000252711976 388773727 /nfs/dbraw/zinc/77/37/27/388773727.db2.gz LCPZSQVASYECBE-HZSPNIEDSA-N 2 1 222.376 2.273 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000252711977 388773992 /nfs/dbraw/zinc/77/39/92/388773992.db2.gz LCPZSQVASYECBE-MGPQQGTHSA-N 2 1 222.376 2.273 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000252717239 388775063 /nfs/dbraw/zinc/77/50/63/388775063.db2.gz ZZRIWWYEJQGLGE-MLGOLLRUSA-N 2 1 244.382 2.084 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000252717239 388775068 /nfs/dbraw/zinc/77/50/68/388775068.db2.gz ZZRIWWYEJQGLGE-MLGOLLRUSA-N 2 1 244.382 2.084 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccncc2C)C1 ZINC000556155989 388869731 /nfs/dbraw/zinc/86/97/31/388869731.db2.gz WXAYMNNGGWADEI-CQSZACIVSA-N 2 1 247.386 2.212 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)o1 ZINC000564825491 388891076 /nfs/dbraw/zinc/89/10/76/388891076.db2.gz LPSUJDLOFJKADD-NSHDSACASA-N 2 1 245.326 2.289 20 0 BEADMP C[NH2+]CCC[N@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000564989824 388906159 /nfs/dbraw/zinc/90/61/59/388906159.db2.gz IPAUNGXKZNNPLS-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP c1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)nc1 ZINC000564975602 388904233 /nfs/dbraw/zinc/90/42/33/388904233.db2.gz LEXJVSDCZHSTDN-UKRRQHHQSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cscn1 ZINC000271841038 389025404 /nfs/dbraw/zinc/02/54/04/389025404.db2.gz GTPWIJACCQXJTE-JTQLQIEISA-N 2 1 237.372 2.056 20 0 BEADMP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cscn1 ZINC000271841038 389025398 /nfs/dbraw/zinc/02/53/98/389025398.db2.gz GTPWIJACCQXJTE-JTQLQIEISA-N 2 1 237.372 2.056 20 0 BEADMP Cc1[nH+]ccn1CCCCn1cc[nH+]c1C ZINC000157405220 389042906 /nfs/dbraw/zinc/04/29/06/389042906.db2.gz VWSRHOIRMGHAPR-UHFFFAOYSA-N 2 1 218.304 2.177 20 0 BEADMP C[C@@H]([NH2+]CCc1ccccc1F)[C@@H]1CCC[NH2+]1 ZINC000400386362 533405791 /nfs/dbraw/zinc/40/57/91/533405791.db2.gz LYCDCYQGFYKZHN-RISCZKNCSA-N 2 1 236.334 2.098 20 0 BEADMP C[NH+](C)[C@H]1CCCN(c2cc[nH+]cc2Cl)C1 ZINC000267429120 132189778 /nfs/dbraw/zinc/18/97/78/132189778.db2.gz WHDNVQWQLCOHDP-JTQLQIEISA-N 2 1 239.750 2.265 20 0 BEADMP CC[N@H+]1C[C@@H](C)N(c2cc[nH+]c(C)c2)C[C@@H]1C ZINC000357701761 132274732 /nfs/dbraw/zinc/27/47/32/132274732.db2.gz XNDFOTDPSARFNU-QWHCGFSZSA-N 2 1 233.359 2.309 20 0 BEADMP Cc1cc(N2CCC[C@@H]([NH2+]C(C)C)C2)nc(C)[nH+]1 ZINC000370760640 132318608 /nfs/dbraw/zinc/31/86/08/132318608.db2.gz SFNHXSMWJFVRNR-CYBMUJFWSA-N 2 1 248.374 2.060 20 0 BEADMP C[C@@H]1C[C@@H]([NH+](C)CCCCF)CC[N@@H+]1C ZINC000352015307 134036197 /nfs/dbraw/zinc/03/61/97/134036197.db2.gz PXRCXDWTAZDZSS-NEPJUHHUSA-N 2 1 216.344 2.151 20 0 BEADMP C[C@@H]1C[C@@H]([NH+](C)CCCCF)CC[N@H+]1C ZINC000352015307 134036198 /nfs/dbraw/zinc/03/61/98/134036198.db2.gz PXRCXDWTAZDZSS-NEPJUHHUSA-N 2 1 216.344 2.151 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+](C)CCCCF)CC[NH+]1C ZINC000352015307 134036199 /nfs/dbraw/zinc/03/61/99/134036199.db2.gz PXRCXDWTAZDZSS-NEPJUHHUSA-N 2 1 216.344 2.151 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCCF)CC[NH+]1C ZINC000352015307 134036200 /nfs/dbraw/zinc/03/62/00/134036200.db2.gz PXRCXDWTAZDZSS-NEPJUHHUSA-N 2 1 216.344 2.151 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H]3CC=CCC3)C2)C1 ZINC000336114478 134087984 /nfs/dbraw/zinc/08/79/84/134087984.db2.gz CFVMCDKAAGDXDM-LSDHHAIUSA-N 2 1 234.387 2.370 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H]3CC=CCC3)C2)C1 ZINC000336114478 134087985 /nfs/dbraw/zinc/08/79/85/134087985.db2.gz CFVMCDKAAGDXDM-LSDHHAIUSA-N 2 1 234.387 2.370 20 0 BEADMP CC(C)(C)CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000336161040 134111207 /nfs/dbraw/zinc/11/12/07/134111207.db2.gz WLWZSFHMBIIMIK-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP CCc1ccccc1C[N@@H+]1CCC[C@@H]1CN ZINC000168797571 134247697 /nfs/dbraw/zinc/24/76/97/134247697.db2.gz XCQYPHRGPNHRHN-CQSZACIVSA-N 2 1 218.344 2.172 20 0 BEADMP CCc1ccccc1C[N@H+]1CCC[C@@H]1CN ZINC000168797571 134247698 /nfs/dbraw/zinc/24/76/98/134247698.db2.gz XCQYPHRGPNHRHN-CQSZACIVSA-N 2 1 218.344 2.172 20 0 BEADMP CCc1ccccc1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000168797571 134247699 /nfs/dbraw/zinc/24/76/99/134247699.db2.gz XCQYPHRGPNHRHN-CQSZACIVSA-N 2 1 218.344 2.172 20 0 BEADMP C[C@H](c1ccccc1F)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000219122205 134274697 /nfs/dbraw/zinc/27/46/97/134274697.db2.gz DCZNYNSJWHXWJD-MNOVXSKESA-N 2 1 222.307 2.167 20 0 BEADMP C[N@@H+](CC1CC[NH2+]CC1)C(C1CC1)C1CC1 ZINC000178969428 134314008 /nfs/dbraw/zinc/31/40/08/134314008.db2.gz QZLIYOGJQRQSMH-UHFFFAOYSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@H]1Cc2ccccc2C[N@H+]1CC1CC[NH2+]CC1 ZINC000178975108 134314332 /nfs/dbraw/zinc/31/43/32/134314332.db2.gz XXLNPWDHQAXGBC-ZDUSSCGKSA-N 2 1 244.382 2.433 20 0 BEADMP CSCC[C@@H](C)[N@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000222339387 134328680 /nfs/dbraw/zinc/32/86/80/134328680.db2.gz INPGAKYWWZJVDG-NEPJUHHUSA-N 2 1 232.437 2.433 20 0 BEADMP CSCC[C@@H](C)[N@@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000222339387 134328681 /nfs/dbraw/zinc/32/86/81/134328681.db2.gz INPGAKYWWZJVDG-NEPJUHHUSA-N 2 1 232.437 2.433 20 0 BEADMP CSCC[C@H](C)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000222338544 134328829 /nfs/dbraw/zinc/32/88/29/134328829.db2.gz SHEVVPZFANWOON-RYUDHWBXSA-N 2 1 230.421 2.059 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCC1 ZINC000222017669 134329060 /nfs/dbraw/zinc/32/90/60/134329060.db2.gz PCFDYXAUDCLCGS-UBHSHLNASA-N 2 1 222.376 2.391 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)C1CCC1 ZINC000222017669 134329061 /nfs/dbraw/zinc/32/90/61/134329061.db2.gz PCFDYXAUDCLCGS-UBHSHLNASA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000226156716 134359329 /nfs/dbraw/zinc/35/93/29/134359329.db2.gz VTXXOWLPZZMUED-MBNYWOFBSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](C)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000226431057 134365844 /nfs/dbraw/zinc/36/58/44/134365844.db2.gz YEMUEODYKFDVIA-NWDGAFQWSA-N 2 1 200.370 2.338 20 0 BEADMP C[C@@H](C[N@@H+](C)CCC[NH3+])c1ccccc1 ZINC000227742045 134392617 /nfs/dbraw/zinc/39/26/17/134392617.db2.gz LBMIKNACGRZQEA-LBPRGKRZSA-N 2 1 206.333 2.071 20 0 BEADMP Cc1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc[nH+]1 ZINC000229570605 134457820 /nfs/dbraw/zinc/45/78/20/134457820.db2.gz QNOOKMGNGHWKDP-YPMHNXCESA-N 2 1 219.332 2.285 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H](C)C2)C1 ZINC000250330348 135052927 /nfs/dbraw/zinc/05/29/27/135052927.db2.gz OKIIXYJIHKVQRS-XQQFMLRXSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)CCOCC[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000250597430 135055921 /nfs/dbraw/zinc/05/59/21/135055921.db2.gz OVUSHEOADZIKRU-UONOGXRCSA-N 2 1 242.407 2.251 20 0 BEADMP CC(C)CCOCC[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000250597430 135055922 /nfs/dbraw/zinc/05/59/22/135055922.db2.gz OVUSHEOADZIKRU-UONOGXRCSA-N 2 1 242.407 2.251 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1(C)CC1 ZINC000251699888 135074295 /nfs/dbraw/zinc/07/42/95/135074295.db2.gz XFXDIWCKFYAMSY-AVGNSLFASA-N 2 1 222.376 2.391 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000251687354 135074760 /nfs/dbraw/zinc/07/47/60/135074760.db2.gz WFDMGXKNUNUYAG-UHTWSYAYSA-N 2 1 208.349 2.001 20 0 BEADMP CC[C@H](C)C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000251774400 135076439 /nfs/dbraw/zinc/07/64/39/135076439.db2.gz IPCIKTZFFFEEJE-QWHCGFSZSA-N 2 1 212.381 2.354 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000251760235 135077125 /nfs/dbraw/zinc/07/71/25/135077125.db2.gz DOTSREYMHRSYNQ-NDBYEHHHSA-N 2 1 210.365 2.153 20 0 BEADMP CC[C@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000251782416 135077511 /nfs/dbraw/zinc/07/75/11/135077511.db2.gz NEBSOIGYISMSQM-OLZOCXBDSA-N 2 1 210.365 2.251 20 0 BEADMP CC[C@@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000251782414 135077814 /nfs/dbraw/zinc/07/78/14/135077814.db2.gz NEBSOIGYISMSQM-CHWSQXEVSA-N 2 1 210.365 2.251 20 0 BEADMP CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000251859698 135080609 /nfs/dbraw/zinc/08/06/09/135080609.db2.gz SQEJTPZAELNHKX-UPJWGTAASA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252175277 135085334 /nfs/dbraw/zinc/08/53/34/135085334.db2.gz OUXRQVDXXIDWEB-MQYQWHSLSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1CCCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000252186069 135086569 /nfs/dbraw/zinc/08/65/69/135086569.db2.gz QVQFCDZOIQMHDA-OLZOCXBDSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)C[C@@H](C)C1 ZINC000252201538 135086713 /nfs/dbraw/zinc/08/67/13/135086713.db2.gz WJKHEONFQBJHMO-QNWHQSFQSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000252205671 135086782 /nfs/dbraw/zinc/08/67/82/135086782.db2.gz VBELMGPTCORLOO-STQMWFEESA-N 2 1 210.365 2.108 20 0 BEADMP C[C@H]1CC([NH2+][C@H]2CCC[NH2+]C2)C[C@H](C)C1 ZINC000252201539 135087029 /nfs/dbraw/zinc/08/70/29/135087029.db2.gz WJKHEONFQBJHMO-UTUOFQBUSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H](c1ccccn1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000086637299 135091963 /nfs/dbraw/zinc/09/19/63/135091963.db2.gz AHCBPQFLILGHIJ-NSHDSACASA-N 2 1 221.348 2.059 20 0 BEADMP C[C@@H](c1ccccn1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086637299 135091966 /nfs/dbraw/zinc/09/19/66/135091966.db2.gz AHCBPQFLILGHIJ-NSHDSACASA-N 2 1 221.348 2.059 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+](C)CC2CC[NH2+]CC2)C1 ZINC000086701586 135094191 /nfs/dbraw/zinc/09/41/91/135094191.db2.gz DRZJUWLMSHKWQF-YPMHNXCESA-N 2 1 210.365 2.106 20 0 BEADMP [NH3+]C1CCC(Nc2cc[nH+]cc2Cl)CC1 ZINC000086832976 135097798 /nfs/dbraw/zinc/09/77/98/135097798.db2.gz GUGZPCPHEMIFPE-UHFFFAOYSA-N 2 1 225.723 2.417 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000252713171 135099986 /nfs/dbraw/zinc/09/99/86/135099986.db2.gz OMZKDTKQLZIWJD-MQYQWHSLSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000252713171 135099987 /nfs/dbraw/zinc/09/99/87/135099987.db2.gz OMZKDTKQLZIWJD-MQYQWHSLSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CCSCC1 ZINC000252712999 135100158 /nfs/dbraw/zinc/10/01/58/135100158.db2.gz NZWHJVMLTLSMDL-WCQYABFASA-N 2 1 242.432 2.059 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CS1 ZINC000086935161 135102715 /nfs/dbraw/zinc/10/27/15/135102715.db2.gz ZSTUVBBQMVLBRX-CMPLNLGQSA-N 2 1 240.416 2.097 20 0 BEADMP CCCC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000252729581 135103950 /nfs/dbraw/zinc/10/39/50/135103950.db2.gz HHUHOUJKNOHLQW-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CCCC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000252729582 135104026 /nfs/dbraw/zinc/10/40/26/135104026.db2.gz HHUHOUJKNOHLQW-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cc[nH+]c(N[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000252737039 135104585 /nfs/dbraw/zinc/10/45/85/135104585.db2.gz AUXDEMNFKHNEQU-VXGBXAGGSA-N 2 1 219.332 2.142 20 0 BEADMP Cc1cc[nH+]c(N[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000252737039 135104588 /nfs/dbraw/zinc/10/45/88/135104588.db2.gz AUXDEMNFKHNEQU-VXGBXAGGSA-N 2 1 219.332 2.142 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000252733536 135104975 /nfs/dbraw/zinc/10/49/75/135104975.db2.gz ZWZJXOPAANFGGM-DGCLKSJQSA-N 2 1 222.376 2.106 20 0 BEADMP CCSCCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252806711 135110769 /nfs/dbraw/zinc/11/07/69/135110769.db2.gz CIMDOSMHFSGGJD-NEPJUHHUSA-N 2 1 230.421 2.059 20 0 BEADMP CCc1cccc(F)c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000261658809 135111464 /nfs/dbraw/zinc/11/14/64/135111464.db2.gz BMGQTLCQYPASEQ-LLVKDONJSA-N 2 1 236.334 2.169 20 0 BEADMP CCC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252848007 135112619 /nfs/dbraw/zinc/11/26/19/135112619.db2.gz GIJVFFVYVVHYIS-XUXIUFHCSA-N 2 1 224.392 2.482 20 0 BEADMP CCC[N@@H+](CC[C@@H]1CCCO1)C1CC[NH2+]CC1 ZINC000087266357 135116532 /nfs/dbraw/zinc/11/65/32/135116532.db2.gz WFXNFGIBVOUTFY-AWEZNQCLSA-N 2 1 240.391 2.020 20 0 BEADMP CSCC[C@@H](C)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000253065095 135120540 /nfs/dbraw/zinc/12/05/40/135120540.db2.gz IBLBEKZCDIDESR-CHWSQXEVSA-N 2 1 244.448 2.450 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000253278757 135125542 /nfs/dbraw/zinc/12/55/42/135125542.db2.gz JSPHJAIIQVNIML-DUJLVANISA-N 2 1 222.376 2.390 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000253279353 135125562 /nfs/dbraw/zinc/12/55/62/135125562.db2.gz JXRCHDMRMSOKSP-XGFWRYKXSA-N 2 1 224.392 2.493 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000258892666 135135341 /nfs/dbraw/zinc/13/53/41/135135341.db2.gz HDWRHXMKVZCLEE-RKDXNWHRSA-N 2 1 230.764 2.371 20 0 BEADMP C[C@@H](c1cccnc1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257663125 135138575 /nfs/dbraw/zinc/13/85/75/135138575.db2.gz CEHQDCDNAUAGAI-DZGCQCFKSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@@H](c1cccnc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257663125 135138576 /nfs/dbraw/zinc/13/85/76/135138576.db2.gz CEHQDCDNAUAGAI-DZGCQCFKSA-N 2 1 245.370 2.218 20 0 BEADMP C(C1CCCC1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257703390 135140057 /nfs/dbraw/zinc/14/00/57/135140057.db2.gz QRUQXZVRHHYQEQ-AWEZNQCLSA-N 2 1 222.376 2.252 20 0 BEADMP C(C1CCCC1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257747713 135142011 /nfs/dbraw/zinc/14/20/11/135142011.db2.gz ZXZVCFHIHGTLHG-CQSZACIVSA-N 2 1 222.376 2.252 20 0 BEADMP C[NH2+]CCC[N@H+](C)C/C=C/c1ccccc1 ZINC000087472683 135142258 /nfs/dbraw/zinc/14/22/58/135142258.db2.gz OZQGUDGGSDRWPT-UXBLZVDNSA-N 2 1 218.344 2.241 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C/C=C/c1ccccc1 ZINC000087472683 135142260 /nfs/dbraw/zinc/14/22/60/135142260.db2.gz OZQGUDGGSDRWPT-UXBLZVDNSA-N 2 1 218.344 2.241 20 0 BEADMP CCOCc1ccccc1C[NH2+]CC(C)(C)[NH3+] ZINC000261545649 135150591 /nfs/dbraw/zinc/15/05/91/135150591.db2.gz GFFCKDGSQIQLSO-UHFFFAOYSA-N 2 1 236.359 2.050 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCC1CCCCC1 ZINC000261531375 135160253 /nfs/dbraw/zinc/16/02/53/135160253.db2.gz GGRUVJQKOKAWRU-AAEUAGOBSA-N 2 1 210.365 2.378 20 0 BEADMP CC(C)(C)[C@H]([NH2+]CC[NH3+])c1ccccc1 ZINC000261531797 135160520 /nfs/dbraw/zinc/16/05/20/135160520.db2.gz HWZIVWXFEYRVJC-GFCCVEGCSA-N 2 1 206.333 2.322 20 0 BEADMP C[C@H]1C[N@@H+](C[C@H]2CCC[C@@H](C)C2)C[C@H]1[NH3+] ZINC000261531840 135161770 /nfs/dbraw/zinc/16/17/70/135161770.db2.gz IALMBPNPHJGOON-MROQNXINSA-N 2 1 210.365 2.092 20 0 BEADMP CC(C)(C)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261532247 135162845 /nfs/dbraw/zinc/16/28/45/135162845.db2.gz JTHYWZKNPJBADQ-SDDRHHMPSA-N 2 1 210.365 2.092 20 0 BEADMP CC(C)(C)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261532249 135162892 /nfs/dbraw/zinc/16/28/92/135162892.db2.gz JTHYWZKNPJBADQ-TUAOUCFPSA-N 2 1 210.365 2.092 20 0 BEADMP CC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000261532727 135163069 /nfs/dbraw/zinc/16/30/69/135163069.db2.gz DIKLLNDKUDNXFW-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cccc([C@H](C)[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000261533392 135164844 /nfs/dbraw/zinc/16/48/44/135164844.db2.gz HTVYZAUQVDUUAS-MBNYWOFBSA-N 2 1 218.344 2.335 20 0 BEADMP Cc1cccc([C@H](C)[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000261533392 135164845 /nfs/dbraw/zinc/16/48/45/135164845.db2.gz HTVYZAUQVDUUAS-MBNYWOFBSA-N 2 1 218.344 2.335 20 0 BEADMP C[C@H]1C[C@H](C[N@@H+](C)CCC2CC2)CC[NH2+]1 ZINC000261533288 135165156 /nfs/dbraw/zinc/16/51/56/135165156.db2.gz KQAGFIPUOKFHDR-WCQYABFASA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@@H+](CC(C)C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261536881 135172769 /nfs/dbraw/zinc/17/27/69/135172769.db2.gz UBVWLVHWMKHXQM-CHWSQXEVSA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)(C)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261537104 135173174 /nfs/dbraw/zinc/17/31/74/135173174.db2.gz UWSOULUHYKMPJQ-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC2(C)CCC2)C1 ZINC000261538375 135176632 /nfs/dbraw/zinc/17/66/32/135176632.db2.gz XWGFWHCZJIHZGQ-VXGBXAGGSA-N 2 1 210.365 2.236 20 0 BEADMP Cc1ccc([C@@H](C)[N@@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000261538877 135177304 /nfs/dbraw/zinc/17/73/04/135177304.db2.gz ZRIHFXFSGQHZLI-VXGBXAGGSA-N 2 1 206.333 2.335 20 0 BEADMP Cc1ccc([C@@H](C)[N@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000261538877 135177305 /nfs/dbraw/zinc/17/73/05/135177305.db2.gz ZRIHFXFSGQHZLI-VXGBXAGGSA-N 2 1 206.333 2.335 20 0 BEADMP C[C@H]1CCCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261539321 135177824 /nfs/dbraw/zinc/17/78/24/135177824.db2.gz CCRCMMGMJILHSB-QWHCGFSZSA-N 2 1 210.365 2.108 20 0 BEADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261539801 135178414 /nfs/dbraw/zinc/17/84/14/135178414.db2.gz DEPZGYNZQVWNCI-XQQFMLRXSA-N 2 1 210.365 2.106 20 0 BEADMP CC[NH+](CC)[C@@H](C)C[NH2+]CC(C)(C)C ZINC000163786896 135180539 /nfs/dbraw/zinc/18/05/39/135180539.db2.gz JBZKDSPXFWYPKG-NSHDSACASA-N 2 1 200.370 2.352 20 0 BEADMP CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccc(OC)cc1 ZINC000261542175 135182722 /nfs/dbraw/zinc/18/27/22/135182722.db2.gz BXQPYVPLYMSERC-SUNKGSAMSA-N 2 1 236.359 2.472 20 0 BEADMP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000261542160 135182811 /nfs/dbraw/zinc/18/28/11/135182811.db2.gz BWNRPYWBTSMEOR-GJZGRUSLSA-N 2 1 236.403 2.498 20 0 BEADMP CC[N@@H+](C[C@@H]1C[C@@H]1C)[C@H]1CCC[NH2+]CC1 ZINC000261542622 135183035 /nfs/dbraw/zinc/18/30/35/135183035.db2.gz GZMNZXBCCRRDJE-AVGNSLFASA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@@H+](C[C@@H]1C[C@H]1C)[C@H]1CCC[NH2+]CC1 ZINC000261542621 135183072 /nfs/dbraw/zinc/18/30/72/135183072.db2.gz GZMNZXBCCRRDJE-AGIUHOORSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261543630 135184595 /nfs/dbraw/zinc/18/45/95/135184595.db2.gz DCEQMKUTDBWVDG-SNPRPXQTSA-N 2 1 230.355 2.431 20 0 BEADMP c1ccc2cc(CC[NH2+][C@H]3CC[NH2+]C3)ccc2c1 ZINC000259206725 135186634 /nfs/dbraw/zinc/18/66/34/135186634.db2.gz XBPOOWNYCLDLDR-INIZCTEOSA-N 2 1 240.350 2.334 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC000261549144 135187540 /nfs/dbraw/zinc/18/75/40/135187540.db2.gz OGHKUTZUFXUHPX-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000261550306 135189006 /nfs/dbraw/zinc/18/90/06/135189006.db2.gz LFBBLGRGEMITCM-LXTVHRRPSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000261550306 135189007 /nfs/dbraw/zinc/18/90/07/135189007.db2.gz LFBBLGRGEMITCM-LXTVHRRPSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H]1C[C@H](C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC000261550986 135190466 /nfs/dbraw/zinc/19/04/66/135190466.db2.gz LRQUZASCMFDBTJ-LJISPDSOSA-N 2 1 236.403 2.497 20 0 BEADMP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1F ZINC000261553273 135192503 /nfs/dbraw/zinc/19/25/03/135192503.db2.gz NRXBYGLTVVNQIW-AEJSXWLSSA-N 2 1 240.322 2.221 20 0 BEADMP CC[C@H]1CCC[C@H](C[N@H+]2CC[C@H](N)C2)C1 ZINC000261555766 135195355 /nfs/dbraw/zinc/19/53/55/135195355.db2.gz VGSDJIONGWUPKW-AVGNSLFASA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@H]1CCC[C@H](C[N@@H+]2CC[C@H]([NH3+])C2)C1 ZINC000261555766 135195356 /nfs/dbraw/zinc/19/53/56/135195356.db2.gz VGSDJIONGWUPKW-AVGNSLFASA-N 2 1 210.365 2.236 20 0 BEADMP C(C1CC[NH2+]CC1)[N@H+]1[C@H]2CC[C@@H]1CCC2 ZINC000261556205 135196117 /nfs/dbraw/zinc/19/61/17/135196117.db2.gz VRPZFOUMAOZNHT-BETUJISGSA-N 2 1 208.349 2.003 20 0 BEADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000261558461 135199467 /nfs/dbraw/zinc/19/94/67/135199467.db2.gz SLNQRXWESAVHCL-TVQRCGJNSA-N 2 1 240.297 2.052 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(C)c1 ZINC000261562774 135204651 /nfs/dbraw/zinc/20/46/51/135204651.db2.gz GQAOJNDEPBCGAN-JKSUJKDBSA-N 2 1 244.382 2.487 20 0 BEADMP COc1cccc([C@H](C)[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000261563965 135206381 /nfs/dbraw/zinc/20/63/81/135206381.db2.gz HDIKRDYLWVKQSC-WFASDCNBSA-N 2 1 248.370 2.427 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261564769 135206823 /nfs/dbraw/zinc/20/68/23/135206823.db2.gz HMOSLOKVLKLPNH-JKSUJKDBSA-N 2 1 244.382 2.345 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1C ZINC000261565666 135208160 /nfs/dbraw/zinc/20/81/60/135208160.db2.gz HXAQDRVUJNSRLH-JYJNAYRXSA-N 2 1 244.382 2.473 20 0 BEADMP Cc1cc(C[NH2+]CC2([NH3+])CCC2)c(C)s1 ZINC000261568411 135210796 /nfs/dbraw/zinc/21/07/96/135210796.db2.gz FOEVAAABDIKWQA-UHFFFAOYSA-N 2 1 224.373 2.336 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC000084329933 135211759 /nfs/dbraw/zinc/21/17/59/135211759.db2.gz HOIPREYUBPDENA-CYBMUJFWSA-N 2 1 210.365 2.237 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@](C)(C[NH3+])C2)C1 ZINC000261571041 135212848 /nfs/dbraw/zinc/21/28/48/135212848.db2.gz HILKKQXIYFMPLT-RDBSUJKOSA-N 2 1 224.392 2.483 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000261570705 135213256 /nfs/dbraw/zinc/21/32/56/135213256.db2.gz HCOYWZSBPURHKL-GXTWGEPZSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000261570705 135213257 /nfs/dbraw/zinc/21/32/57/135213257.db2.gz HCOYWZSBPURHKL-GXTWGEPZSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1csc(CNCCC[N@H+](C)C(C)C)n1 ZINC000164133868 135213334 /nfs/dbraw/zinc/21/33/34/135213334.db2.gz SQGAQCDMDAWDPW-UHFFFAOYSA-N 2 1 241.404 2.271 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1C ZINC000261572168 135213698 /nfs/dbraw/zinc/21/36/98/135213698.db2.gz LMSLJIOOTXITCN-HOTGVXAUSA-N 2 1 244.382 2.487 20 0 BEADMP COc1cccc([C@H](C)[NH2+]CC(C)(C)[NH3+])c1 ZINC000261574544 135215702 /nfs/dbraw/zinc/21/57/02/135215702.db2.gz JFOAZGTYAGVEQW-JTQLQIEISA-N 2 1 222.332 2.083 20 0 BEADMP COc1cccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])c1 ZINC000261574545 135215952 /nfs/dbraw/zinc/21/59/52/135215952.db2.gz JFOAZGTYAGVEQW-SNVBAGLBSA-N 2 1 222.332 2.083 20 0 BEADMP Cc1ccsc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261575053 135216760 /nfs/dbraw/zinc/21/67/60/135216760.db2.gz JOKGIOXCQFFCGS-QJPTWQEYSA-N 2 1 236.384 2.226 20 0 BEADMP CCc1nc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc(C)[nH+]1 ZINC000261575897 135217270 /nfs/dbraw/zinc/21/72/70/135217270.db2.gz NIOUULBKYZSGKT-NWDGAFQWSA-N 2 1 248.374 2.147 20 0 BEADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261576470 135217713 /nfs/dbraw/zinc/21/77/13/135217713.db2.gz NQXHUKXOXULNQA-JSGCOSHPSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261576470 135217714 /nfs/dbraw/zinc/21/77/14/135217714.db2.gz NQXHUKXOXULNQA-JSGCOSHPSA-N 2 1 248.345 2.175 20 0 BEADMP C[C@@H]1CCC[C@H]([N@@H+](C)CC[C@@H]2CC[NH2+]C2)C1 ZINC000084385240 135218050 /nfs/dbraw/zinc/21/80/50/135218050.db2.gz IRNIRGJUUPXTHA-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CCC[C@@H]([N@@H+](C)CC[C@@H]2CC[NH2+]C2)C1 ZINC000084385245 135218062 /nfs/dbraw/zinc/21/80/62/135218062.db2.gz IRNIRGJUUPXTHA-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)C[N@@H+](CC[C@H]1CC[NH2+]C1)C(C)C ZINC000084385410 135218139 /nfs/dbraw/zinc/21/81/39/135218139.db2.gz KZRZTLCPRCZAAL-CYBMUJFWSA-N 2 1 212.381 2.352 20 0 BEADMP C[NH2+][C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC000261576994 135218568 /nfs/dbraw/zinc/21/85/68/135218568.db2.gz KSLHIGZRHCXEJY-ZDUSSCGKSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH2+][C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC000261576994 135218569 /nfs/dbraw/zinc/21/85/69/135218569.db2.gz KSLHIGZRHCXEJY-ZDUSSCGKSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000261581613 135222144 /nfs/dbraw/zinc/22/21/44/135222144.db2.gz QUQXQJTYSSOGPQ-GOEBONIOSA-N 2 1 244.382 2.476 20 0 BEADMP C[C@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000261581334 135222224 /nfs/dbraw/zinc/22/22/24/135222224.db2.gz QPBQNOXPLLRNRL-FVQBIDKESA-N 2 1 244.382 2.331 20 0 BEADMP C[C@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000261581612 135222615 /nfs/dbraw/zinc/22/26/15/135222615.db2.gz QUQXQJTYSSOGPQ-GDBMZVCRSA-N 2 1 244.382 2.476 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261583184 135224199 /nfs/dbraw/zinc/22/41/99/135224199.db2.gz RQZSOLQXXCRMCT-ARFHVFGLSA-N 2 1 244.382 2.473 20 0 BEADMP C[C@H](C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000261585225 135226202 /nfs/dbraw/zinc/22/62/02/135226202.db2.gz SWEFSVPLJLCQKM-SYAUCNOPSA-N 2 1 244.382 2.459 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261585271 135226289 /nfs/dbraw/zinc/22/62/89/135226289.db2.gz SYCOEISHVRGNQR-NWANDNLSSA-N 2 1 248.345 2.303 20 0 BEADMP CCc1nc(NC[C@H]2CCC[C@@H]([NH3+])C2)cc(C)[nH+]1 ZINC000261585867 135226774 /nfs/dbraw/zinc/22/67/74/135226774.db2.gz UABYPYVSTOBLAI-NWDGAFQWSA-N 2 1 248.374 2.277 20 0 BEADMP COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000261586208 135226823 /nfs/dbraw/zinc/22/68/23/135226823.db2.gz UGNHSWPYSNQAKT-SGMGOOAPSA-N 2 1 248.370 2.344 20 0 BEADMP CC(C)CCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164399909 135227036 /nfs/dbraw/zinc/22/70/36/135227036.db2.gz NSIDJBWTQFTMLK-MJBXVCDLSA-N 2 1 224.392 2.482 20 0 BEADMP CC1(C)CCC(C[N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000261587324 135228220 /nfs/dbraw/zinc/22/82/20/135228220.db2.gz RSPDCSOJTKFLEF-ZDUSSCGKSA-N 2 1 224.392 2.483 20 0 BEADMP Cc1ccc(F)c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261587181 135228258 /nfs/dbraw/zinc/22/82/58/135228258.db2.gz UXDADHAFMFVUQY-OAHLLOKOSA-N 2 1 248.345 2.320 20 0 BEADMP Cc1ccc(F)c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261587181 135228259 /nfs/dbraw/zinc/22/82/59/135228259.db2.gz UXDADHAFMFVUQY-OAHLLOKOSA-N 2 1 248.345 2.320 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000261587661 135228306 /nfs/dbraw/zinc/22/83/06/135228306.db2.gz RXSJOIAOGBJNGT-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000261589545 135230396 /nfs/dbraw/zinc/23/03/96/135230396.db2.gz WIULJQVIKAIZNY-GOEBONIOSA-N 2 1 244.382 2.345 20 0 BEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]12 ZINC000261589702 135230421 /nfs/dbraw/zinc/23/04/21/135230421.db2.gz UCSIQIRFKKDSBG-MELADBBJSA-N 2 1 222.376 2.236 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261589789 135230559 /nfs/dbraw/zinc/23/05/59/135230559.db2.gz WMYTWLLGLFKGKP-HZPDHXFCSA-N 2 1 244.382 2.487 20 0 BEADMP Cc1ccc(F)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261591017 135232062 /nfs/dbraw/zinc/23/20/62/135232062.db2.gz XJACCEMKZAKCRO-CORIIIEPSA-N 2 1 248.345 2.303 20 0 BEADMP Cc1ccc(F)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261591019 135232178 /nfs/dbraw/zinc/23/21/78/135232178.db2.gz XJACCEMKZAKCRO-NJZAAPMLSA-N 2 1 248.345 2.303 20 0 BEADMP C[C@H](C[N@@H+]1CC[C@@H]([NH3+])[C@@H]1C)c1ccccc1 ZINC000261592618 135233052 /nfs/dbraw/zinc/23/30/52/135233052.db2.gz VYNGUEIGFQZPAH-MBNYWOFBSA-N 2 1 218.344 2.212 20 0 BEADMP C[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@@H]1C)c1ccccc1 ZINC000261592618 135233054 /nfs/dbraw/zinc/23/30/54/135233054.db2.gz VYNGUEIGFQZPAH-MBNYWOFBSA-N 2 1 218.344 2.212 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000261594294 135234401 /nfs/dbraw/zinc/23/44/01/135234401.db2.gz XLNXSOUVPORQIW-TZMCWYRMSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000261594294 135234402 /nfs/dbraw/zinc/23/44/02/135234402.db2.gz XLNXSOUVPORQIW-TZMCWYRMSA-N 2 1 218.344 2.225 20 0 BEADMP C(C1CCCCC1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261597532 135237176 /nfs/dbraw/zinc/23/71/76/135237176.db2.gz ZEUMRFFJIRUTRN-KGLIPLIRSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccccc1F ZINC000261547501 135240294 /nfs/dbraw/zinc/24/02/94/135240294.db2.gz IFVIVCOJUZZXFV-COPLHBTASA-N 2 1 236.334 2.474 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1 ZINC000261547436 135240325 /nfs/dbraw/zinc/24/03/25/135240325.db2.gz IAFVTQCAASSGGK-QTVXIADOSA-N 2 1 236.403 2.482 20 0 BEADMP COc1cccc(C[NH2+][C@@](C)(C[NH3+])C(C)C)c1 ZINC000261547806 135241045 /nfs/dbraw/zinc/24/10/45/135241045.db2.gz IORNTQPCUGUTEW-AWEZNQCLSA-N 2 1 236.359 2.158 20 0 BEADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)ccc1C ZINC000261787635 135252774 /nfs/dbraw/zinc/25/27/74/135252774.db2.gz FYYJGFKQUCXKPM-TZMCWYRMSA-N 2 1 248.370 2.173 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000261922811 135263334 /nfs/dbraw/zinc/26/33/34/135263334.db2.gz KPZAZXYYQDSFBI-AWEZNQCLSA-N 2 1 248.370 2.045 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000261922811 135263335 /nfs/dbraw/zinc/26/33/35/135263335.db2.gz KPZAZXYYQDSFBI-AWEZNQCLSA-N 2 1 248.370 2.045 20 0 BEADMP CC(C)[C@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261984042 135269961 /nfs/dbraw/zinc/26/99/61/135269961.db2.gz JMJBEQXJISNDLP-UONOGXRCSA-N 2 1 224.392 2.354 20 0 BEADMP CC[N@@H+](C[C@H]1CCSC1)[C@H]1CCC[NH2+]CC1 ZINC000261995542 135270898 /nfs/dbraw/zinc/27/08/98/135270898.db2.gz SULOQBLFOQKYPQ-OLZOCXBDSA-N 2 1 242.432 2.204 20 0 BEADMP COc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)ccc1C ZINC000262022161 135274164 /nfs/dbraw/zinc/27/41/64/135274164.db2.gz WHMDAVQPTWFBAL-HNNXBMFYSA-N 2 1 248.370 2.174 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000262033414 135274587 /nfs/dbraw/zinc/27/45/87/135274587.db2.gz XKPOAMOZFVKAQV-REBRKWNGSA-N 2 1 230.355 2.069 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000262033414 135274590 /nfs/dbraw/zinc/27/45/90/135274590.db2.gz XKPOAMOZFVKAQV-REBRKWNGSA-N 2 1 230.355 2.069 20 0 BEADMP CC(C)C[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262149960 135282276 /nfs/dbraw/zinc/28/22/76/135282276.db2.gz ZVCRQDHQDAAVBI-KGLIPLIRSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)C1 ZINC000299916046 135381611 /nfs/dbraw/zinc/38/16/11/135381611.db2.gz GXQFRDSJRVWWGQ-LXTVHRRPSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1nc(C)c(C[NH2+][C@@H](C)CC[NH+](C)C)s1 ZINC000080694273 135384301 /nfs/dbraw/zinc/38/43/01/135384301.db2.gz JADFDSWIDFJNKK-VIFPVBQESA-N 2 1 241.404 2.190 20 0 BEADMP CC(C)([NH3+])C[NH2+][C@@H]1CCc2c1cccc2F ZINC000335045011 135872523 /nfs/dbraw/zinc/87/25/23/135872523.db2.gz XGIABSAVXCNCAT-GFCCVEGCSA-N 2 1 222.307 2.140 20 0 BEADMP C[C@H](c1ccco1)[N@H+](C)CCc1c[nH+]cn1C ZINC000347729110 136003877 /nfs/dbraw/zinc/00/38/77/136003877.db2.gz FNNXOBBHWDFVPZ-LLVKDONJSA-N 2 1 233.315 2.249 20 0 BEADMP C[C@H](c1ccco1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000347729110 136003878 /nfs/dbraw/zinc/00/38/78/136003878.db2.gz FNNXOBBHWDFVPZ-LLVKDONJSA-N 2 1 233.315 2.249 20 0 BEADMP CC(C)[C@H](C)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000348078408 136034669 /nfs/dbraw/zinc/03/46/69/136034669.db2.gz LAMJCSXKBSYTJB-QWHCGFSZSA-N 2 1 212.381 2.447 20 0 BEADMP [NH3+]C[C@@H]1CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000335335940 136055687 /nfs/dbraw/zinc/05/56/87/136055687.db2.gz RDSYXZRREBGUHA-HZMBPMFUSA-N 2 1 234.318 2.094 20 0 BEADMP [NH3+]C[C@H]1CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000335335942 136055749 /nfs/dbraw/zinc/05/57/49/136055749.db2.gz RDSYXZRREBGUHA-QMTHXVAHSA-N 2 1 234.318 2.094 20 0 BEADMP [NH3+]C[C@@H]1CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000335335941 136055907 /nfs/dbraw/zinc/05/59/07/136055907.db2.gz RDSYXZRREBGUHA-IINYFYTJSA-N 2 1 234.318 2.094 20 0 BEADMP Cc1cc(N)cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000335356516 136062097 /nfs/dbraw/zinc/06/20/97/136062097.db2.gz DKUGESOVWICPHD-SWLSCSKDSA-N 2 1 247.386 2.007 20 0 BEADMP FC1(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000348336939 136075628 /nfs/dbraw/zinc/07/56/28/136075628.db2.gz SPPNAIRNRHNKEM-CHWSQXEVSA-N 2 1 240.366 2.485 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)nc1C ZINC000335595756 136104849 /nfs/dbraw/zinc/10/48/49/136104849.db2.gz OOIVTSBTIPOSPH-SWLSCSKDSA-N 2 1 247.386 2.176 20 0 BEADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC[NH3+] ZINC000335564032 136107101 /nfs/dbraw/zinc/10/71/01/136107101.db2.gz JSHBJOZTBRXTJT-PWSUYJOCSA-N 2 1 204.317 2.092 20 0 BEADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CC[NH3+] ZINC000335564608 136107261 /nfs/dbraw/zinc/10/72/61/136107261.db2.gz LMZKWXGZGQVZRS-CYBMUJFWSA-N 2 1 218.344 2.229 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cc(F)cc(F)c1 ZINC000335566247 136107687 /nfs/dbraw/zinc/10/76/87/136107687.db2.gz DYXCXWVPZMUATO-SECBINFHSA-N 2 1 240.297 2.367 20 0 BEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C)nc1 ZINC000062080976 1172738794 /nfs/dbraw/zinc/73/87/94/1172738794.db2.gz UXJWIKRPPPRBHD-GOOCMWNKSA-N 2 1 245.370 2.105 20 0 BEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C)nc1 ZINC000062080976 1172738803 /nfs/dbraw/zinc/73/88/03/1172738803.db2.gz UXJWIKRPPPRBHD-GOOCMWNKSA-N 2 1 245.370 2.105 20 0 BEADMP CCc1ccc(C[N@@H+]2CCC[NH2+][C@@H](C)C2)cc1 ZINC000085610129 1172757037 /nfs/dbraw/zinc/75/70/37/1172757037.db2.gz AULFIVAJYRKTBH-ZDUSSCGKSA-N 2 1 232.371 2.433 20 0 BEADMP CCc1ccc(C[N@H+]2CCC[NH2+][C@@H](C)C2)cc1 ZINC000085610129 1172757040 /nfs/dbraw/zinc/75/70/40/1172757040.db2.gz AULFIVAJYRKTBH-ZDUSSCGKSA-N 2 1 232.371 2.433 20 0 BEADMP Cc1ccc(C[N@@H+]2CCC[NH2+][C@@H](C)C2)cc1C ZINC000085610167 1172757690 /nfs/dbraw/zinc/75/76/90/1172757690.db2.gz FXVUMPDZAQMVGU-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[NH2+][C@@H](C)C2)cc1C ZINC000085610167 1172757695 /nfs/dbraw/zinc/75/76/95/1172757695.db2.gz FXVUMPDZAQMVGU-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP CC(C)=CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000309101979 397851239 /nfs/dbraw/zinc/85/12/39/397851239.db2.gz GGCCJUQHYBKFPF-CHWSQXEVSA-N 2 1 210.365 2.415 20 0 BEADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1cccc(F)c1 ZINC000019959187 397962639 /nfs/dbraw/zinc/96/26/39/397962639.db2.gz BARJEAOTTXIZHT-LLVKDONJSA-N 2 1 224.323 2.428 20 0 BEADMP C[C@H]1C[C@H](C[N@@H+](C)C(C2CC2)C2CC2)CC[NH2+]1 ZINC000414689751 398019676 /nfs/dbraw/zinc/01/96/76/398019676.db2.gz GVFHWZLLHGMGDN-NWDGAFQWSA-N 2 1 236.403 2.495 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+]CCC1CCOCC1 ZINC000383687194 398034551 /nfs/dbraw/zinc/03/45/51/398034551.db2.gz SCCRAVWAWBRHKK-UHFFFAOYSA-N 2 1 242.407 2.123 20 0 BEADMP C(C1CCCC1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414777370 398035909 /nfs/dbraw/zinc/03/59/09/398035909.db2.gz IENQWQOEBYKJOS-GJZGRUSLSA-N 2 1 236.403 2.498 20 0 BEADMP Cc1cc(C)cc(C[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000038076851 397974458 /nfs/dbraw/zinc/97/44/58/397974458.db2.gz UPEGOHZHPGJZRF-CQSZACIVSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000038076851 397974464 /nfs/dbraw/zinc/97/44/64/397974464.db2.gz UPEGOHZHPGJZRF-CQSZACIVSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1ccoc1CN1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000272625692 397980772 /nfs/dbraw/zinc/98/07/72/397980772.db2.gz MNNJFUBWGPABCX-QWHCGFSZSA-N 2 1 234.343 2.114 20 0 BEADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000388644323 397987892 /nfs/dbraw/zinc/98/78/92/397987892.db2.gz PUJVUYOPOTZHMT-AGIUHOORSA-N 2 1 210.365 2.297 20 0 BEADMP CC[C@@H](C)C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000093067129 398094077 /nfs/dbraw/zinc/09/40/77/398094077.db2.gz PSIWGHGJVWAULZ-NEPJUHHUSA-N 2 1 223.364 2.463 20 0 BEADMP Cc1ccc(C[NH2+]CC2([NH3+])CCC2)c(C)c1 ZINC000414884948 398080793 /nfs/dbraw/zinc/08/07/93/398080793.db2.gz OOXRDEJRUVTRTQ-UHFFFAOYSA-N 2 1 218.344 2.274 20 0 BEADMP CCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000222206633 398095112 /nfs/dbraw/zinc/09/51/12/398095112.db2.gz VQNWVSZGRLDZCM-RYUDHWBXSA-N 2 1 210.365 2.249 20 0 BEADMP [NH3+]C[C@H]([NH2+]Cc1cccc(O)c1)C1CCCCC1 ZINC000414838367 398052933 /nfs/dbraw/zinc/05/29/33/398052933.db2.gz KMNCIYYRKHGRBM-HNNXBMFYSA-N 2 1 248.370 2.389 20 0 BEADMP Cc1ccsc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000086637446 398056169 /nfs/dbraw/zinc/05/61/69/398056169.db2.gz JSZCAOQPTQPGEY-UHFFFAOYSA-N 2 1 226.389 2.473 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccoc2)C1 ZINC000449089321 398058405 /nfs/dbraw/zinc/05/84/05/398058405.db2.gz JWELQWYAMXSTDC-OCCSQVGLSA-N 2 1 236.359 2.142 20 0 BEADMP Cc1cc(C)cc(OCC[N@H+](C)C2CC([NH3+])C2)c1 ZINC000384910200 398116846 /nfs/dbraw/zinc/11/68/46/398116846.db2.gz PTBRLUHWUARHSF-UHFFFAOYSA-N 2 1 248.370 2.104 20 0 BEADMP C[C@H](C[NH3+])[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000414939374 398117342 /nfs/dbraw/zinc/11/73/42/398117342.db2.gz YHPPDQVNSDQLPM-GFCCVEGCSA-N 2 1 241.338 2.185 20 0 BEADMP C[C@@H](c1ccccn1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001647978159 1172785145 /nfs/dbraw/zinc/78/51/45/1172785145.db2.gz YNZAYMWZQSUWNM-MJBXVCDLSA-N 2 1 245.370 2.026 20 0 BEADMP C[C@@H](c1ccccn1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001647978159 1172785149 /nfs/dbraw/zinc/78/51/49/1172785149.db2.gz YNZAYMWZQSUWNM-MJBXVCDLSA-N 2 1 245.370 2.026 20 0 BEADMP C[C@@H](c1ccccn1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001647978159 1172785152 /nfs/dbraw/zinc/78/51/52/1172785152.db2.gz YNZAYMWZQSUWNM-MJBXVCDLSA-N 2 1 245.370 2.026 20 0 BEADMP CC(C)OCCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365402015 167211147 /nfs/dbraw/zinc/21/11/47/167211147.db2.gz IJHXWXXPGJHLTB-AWEZNQCLSA-N 2 1 242.407 2.218 20 0 BEADMP COCC1([NH2+]C2CC[NH+](C)CC2)CCCCC1 ZINC000668811156 487577263 /nfs/dbraw/zinc/57/72/63/487577263.db2.gz NTAQPRQDSICKSL-UHFFFAOYSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CCC[NH3+] ZINC000162599188 487591396 /nfs/dbraw/zinc/59/13/96/487591396.db2.gz LCBDFTVEUUQATM-NSHDSACASA-N 2 1 224.323 2.037 20 0 BEADMP CC(C)SCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000336667913 167324467 /nfs/dbraw/zinc/32/44/67/167324467.db2.gz PRHKWWLWECCHJF-ZDUSSCGKSA-N 2 1 244.448 2.402 20 0 BEADMP CC(C)SCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000336667913 167324471 /nfs/dbraw/zinc/32/44/71/167324471.db2.gz PRHKWWLWECCHJF-ZDUSSCGKSA-N 2 1 244.448 2.402 20 0 BEADMP CC(C)SCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000336667913 167324475 /nfs/dbraw/zinc/32/44/75/167324475.db2.gz PRHKWWLWECCHJF-ZDUSSCGKSA-N 2 1 244.448 2.402 20 0 BEADMP CC[C@@H](CC(F)F)C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000662242726 409531537 /nfs/dbraw/zinc/53/15/37/409531537.db2.gz HKFVBMQLXZUCOW-WDEREUQCSA-N 2 1 234.334 2.481 20 0 BEADMP CC[C@@H](CC(F)F)C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000662242726 409531540 /nfs/dbraw/zinc/53/15/40/409531540.db2.gz HKFVBMQLXZUCOW-WDEREUQCSA-N 2 1 234.334 2.481 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000662244510 409533399 /nfs/dbraw/zinc/53/33/99/409533399.db2.gz HUDMYJSGVJZGNW-YPMHNXCESA-N 2 1 208.349 2.012 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662246136 409541316 /nfs/dbraw/zinc/54/13/16/409541316.db2.gz PUWOFEAAWOKKDJ-HIFRSBDPSA-N 2 1 244.382 2.387 20 0 BEADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000662318398 409637408 /nfs/dbraw/zinc/63/74/08/409637408.db2.gz ZQUHWOWGAVSRIQ-HIFRSBDPSA-N 2 1 236.403 2.498 20 0 BEADMP CC[C@@H](CC(F)F)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000662272868 409577508 /nfs/dbraw/zinc/57/75/08/409577508.db2.gz JNKHIPRRSUWAOL-CMPLNLGQSA-N 2 1 234.334 2.339 20 0 BEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000662276583 409591456 /nfs/dbraw/zinc/59/14/56/409591456.db2.gz KPLFVTOSAZXDJQ-NDBYEHHHSA-N 2 1 224.392 2.386 20 0 BEADMP CC(C)SCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336685108 167331939 /nfs/dbraw/zinc/33/19/39/167331939.db2.gz KNZAKNAAAHXDGF-NWDGAFQWSA-N 2 1 230.421 2.200 20 0 BEADMP CC(C)SCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000309408769 167331947 /nfs/dbraw/zinc/33/19/47/167331947.db2.gz VGUWPJDESYXNGT-FRRDWIJNSA-N 2 1 244.448 2.446 20 0 BEADMP C[N@@H+](CC1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000082666927 409849000 /nfs/dbraw/zinc/84/90/00/409849000.db2.gz VOOIBAXPYDGMOR-ZDUSSCGKSA-N 2 1 210.365 2.251 20 0 BEADMP Cc1ccc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)cc1 ZINC000051889914 409936801 /nfs/dbraw/zinc/93/68/01/409936801.db2.gz ABGGVDFTHNHVJK-AWEZNQCLSA-N 2 1 218.344 2.036 20 0 BEADMP [NH3+][C@@H](C[NH2+]Cc1cccc2c1CCC2)C1CC1 ZINC000650703671 410332950 /nfs/dbraw/zinc/33/29/50/410332950.db2.gz LCLCZVZLVUEGJG-HNNXBMFYSA-N 2 1 230.355 2.002 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CCC3)CC[C@@H]1[NH3+] ZINC000650703248 410336930 /nfs/dbraw/zinc/33/69/30/410336930.db2.gz QYZUBTWLWWUKFV-WBMJQRKESA-N 2 1 244.382 2.344 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1cccc(C(F)F)c1 ZINC000124800299 410310347 /nfs/dbraw/zinc/31/03/47/410310347.db2.gz ROUGCOBCQJSPIS-UHFFFAOYSA-N 2 1 228.286 2.405 20 0 BEADMP CC(C)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650724049 410359376 /nfs/dbraw/zinc/35/93/76/410359376.db2.gz XNCZEOTWMJVPCQ-MGPQQGTHSA-N 2 1 240.391 2.003 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(O)c2)C[C@H]1C[NH3+] ZINC000397251757 410535735 /nfs/dbraw/zinc/53/57/35/410535735.db2.gz CWFMYBCJYQGPAS-MBNYWOFBSA-N 2 1 248.370 2.197 20 0 BEADMP COc1ccsc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000653279943 410632692 /nfs/dbraw/zinc/63/26/92/410632692.db2.gz NAOINBHUVOAVRQ-NXEZZACHSA-N 2 1 240.372 2.068 20 0 BEADMP COc1ccsc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000653279943 410632699 /nfs/dbraw/zinc/63/26/99/410632699.db2.gz NAOINBHUVOAVRQ-NXEZZACHSA-N 2 1 240.372 2.068 20 0 BEADMP C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1c[nH+]ccc1N ZINC000665266549 410739641 /nfs/dbraw/zinc/73/96/41/410739641.db2.gz DZTLERHHLGCTKK-KWQFWETISA-N 2 1 241.285 2.190 20 0 BEADMP CC1(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCC1 ZINC000393768389 410759513 /nfs/dbraw/zinc/75/95/13/410759513.db2.gz IDBVNVTVKPWHIT-JSGCOSHPSA-N 2 1 222.376 2.237 20 0 BEADMP CC(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020523871 166857089 /nfs/dbraw/zinc/85/70/89/166857089.db2.gz HPDLMMYBHNDDBF-YHWZYXNKSA-N 2 1 210.365 2.247 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000665297882 410824730 /nfs/dbraw/zinc/82/47/30/410824730.db2.gz NKUWJERLURFHND-QJPTWQEYSA-N 2 1 216.344 2.102 20 0 BEADMP CC(C)SCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336674380 167329801 /nfs/dbraw/zinc/32/98/01/167329801.db2.gz UPDNHVRVLGQCEG-UHFFFAOYSA-N 2 1 242.432 2.344 20 0 BEADMP CC(C)SCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000308837582 167333571 /nfs/dbraw/zinc/33/35/71/167333571.db2.gz XDZATKQUDSQGQH-RYUDHWBXSA-N 2 1 230.421 2.058 20 0 BEADMP CC(C)[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140951 167380540 /nfs/dbraw/zinc/38/05/40/167380540.db2.gz ZJGOTZHEUXNIAC-LLVKDONJSA-N 2 1 210.365 2.247 20 0 BEADMP C[N@@H+](CCC(C)(C)C)C[C@]1(C)CC[NH2+]C1 ZINC000399794553 411065597 /nfs/dbraw/zinc/06/55/97/411065597.db2.gz VSSFUSIHUKQOGK-CYBMUJFWSA-N 2 1 212.381 2.354 20 0 BEADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc2cnccc2o1 ZINC000651694291 411136592 /nfs/dbraw/zinc/13/65/92/411136592.db2.gz YBIHSEFQYPOECO-NSHDSACASA-N 2 1 247.342 2.258 20 0 BEADMP CCSCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397298430 411143326 /nfs/dbraw/zinc/14/33/26/411143326.db2.gz CLOHBHRCMMEOEC-UTUOFQBUSA-N 2 1 230.421 2.045 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@@H]1C[C@@H]1C ZINC000651865871 411147709 /nfs/dbraw/zinc/14/77/09/411147709.db2.gz KQLCMTSALPHJOK-STQMWFEESA-N 2 1 212.381 2.210 20 0 BEADMP Cc1ccncc1C[NH2+]CCC[N@@H+](C)CC(C)C ZINC000651865684 411147760 /nfs/dbraw/zinc/14/77/60/411147760.db2.gz DKAOFWXLLUITDG-UHFFFAOYSA-N 2 1 249.402 2.458 20 0 BEADMP Cc1ccncc1C[NH2+]CCC[N@H+](C)CC(C)C ZINC000651865684 411147761 /nfs/dbraw/zinc/14/77/61/411147761.db2.gz DKAOFWXLLUITDG-UHFFFAOYSA-N 2 1 249.402 2.458 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)C1CC1 ZINC000651865838 411147952 /nfs/dbraw/zinc/14/79/52/411147952.db2.gz JHYCUFAFQDGMKL-LBPRGKRZSA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000651864702 411148121 /nfs/dbraw/zinc/14/81/21/411148121.db2.gz BCUGSUZRCUOKDO-HZSPNIEDSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)C1CC1 ZINC000651865837 411148132 /nfs/dbraw/zinc/14/81/32/411148132.db2.gz JHYCUFAFQDGMKL-GFCCVEGCSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]1C[C@@H]([NH+](C)CC2CC=CC2)CC[N@@H+]1C ZINC000659983611 411155624 /nfs/dbraw/zinc/15/56/24/411155624.db2.gz QZGJPEPWIFDYPT-OCCSQVGLSA-N 2 1 222.376 2.367 20 0 BEADMP C[C@@H]1C[C@@H]([NH+](C)CC2CC=CC2)CC[N@H+]1C ZINC000659983611 411155627 /nfs/dbraw/zinc/15/56/27/411155627.db2.gz QZGJPEPWIFDYPT-OCCSQVGLSA-N 2 1 222.376 2.367 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+](C)CC2CC=CC2)CC[NH+]1C ZINC000659983611 411155632 /nfs/dbraw/zinc/15/56/32/411155632.db2.gz QZGJPEPWIFDYPT-OCCSQVGLSA-N 2 1 222.376 2.367 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CC=CC2)CC[NH+]1C ZINC000659983611 411155635 /nfs/dbraw/zinc/15/56/35/411155635.db2.gz QZGJPEPWIFDYPT-OCCSQVGLSA-N 2 1 222.376 2.367 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCSCC2)CC[N@@H+]1C ZINC000657893031 411155791 /nfs/dbraw/zinc/15/57/91/411155791.db2.gz ZANKODMIUJTLMP-UPJWGTAASA-N 2 1 242.432 2.344 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCSCC2)CC[N@H+]1C ZINC000657893031 411155796 /nfs/dbraw/zinc/15/57/96/411155796.db2.gz ZANKODMIUJTLMP-UPJWGTAASA-N 2 1 242.432 2.344 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1CC1CCCC1 ZINC000655949009 411161275 /nfs/dbraw/zinc/16/12/75/411161275.db2.gz KFEUEVRXIMYWLY-AAEUAGOBSA-N 2 1 210.365 2.378 20 0 BEADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000655949294 411161461 /nfs/dbraw/zinc/16/14/61/411161461.db2.gz SLEKQDAGRWUAIB-CQSZACIVSA-N 2 1 240.391 2.006 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000123690387 411161826 /nfs/dbraw/zinc/16/18/26/411161826.db2.gz UQTGCGLPEDRPQH-GXTWGEPZSA-N 2 1 235.375 2.448 20 0 BEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000653677716 411169163 /nfs/dbraw/zinc/16/91/63/411169163.db2.gz AXBJNBNIEMGFFW-CQSZACIVSA-N 2 1 247.386 2.475 20 0 BEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000653677716 411169166 /nfs/dbraw/zinc/16/91/66/411169166.db2.gz AXBJNBNIEMGFFW-CQSZACIVSA-N 2 1 247.386 2.475 20 0 BEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000653677715 411169695 /nfs/dbraw/zinc/16/96/95/411169695.db2.gz AXBJNBNIEMGFFW-AWEZNQCLSA-N 2 1 247.386 2.475 20 0 BEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](C2CC2)C1 ZINC000653677715 411169697 /nfs/dbraw/zinc/16/96/97/411169697.db2.gz AXBJNBNIEMGFFW-AWEZNQCLSA-N 2 1 247.386 2.475 20 0 BEADMP c1cc2cccc(C[NH2+]CCC[NH+]3CCC3)c2[nH]1 ZINC000655755196 411186154 /nfs/dbraw/zinc/18/61/54/411186154.db2.gz SBBGOJDYBNSDNQ-UHFFFAOYSA-N 2 1 243.354 2.353 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@H]1CCC(C)C ZINC000652343454 411208186 /nfs/dbraw/zinc/20/81/86/411208186.db2.gz CAILQHPOIBSEGB-ZDUSSCGKSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223538954 411208215 /nfs/dbraw/zinc/20/82/15/411208215.db2.gz RECAQBROWPGEJY-NTZNESFSSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223538954 411208217 /nfs/dbraw/zinc/20/82/17/411208217.db2.gz RECAQBROWPGEJY-NTZNESFSSA-N 2 1 210.365 2.247 20 0 BEADMP C[N@@H+](CCOC(C)(C)C)CC[C@@H]1CCC[NH2+]C1 ZINC000652343746 411208491 /nfs/dbraw/zinc/20/84/91/411208491.db2.gz RMDVGQGBGUWJTF-ZDUSSCGKSA-N 2 1 242.407 2.123 20 0 BEADMP COc1cccc(C[NH+]2CCC(C)([NH3+])CC2)c1 ZINC000049826954 411245868 /nfs/dbraw/zinc/24/58/68/411245868.db2.gz RVOJPIYTQVNYMR-UHFFFAOYSA-N 2 1 234.343 2.008 20 0 BEADMP CC(C)OCCC[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652355012 411215528 /nfs/dbraw/zinc/21/55/28/411215528.db2.gz MRFVCJVZZFABEV-UONOGXRCSA-N 2 1 242.407 2.251 20 0 BEADMP Cc1nccc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000656226191 411215657 /nfs/dbraw/zinc/21/56/57/411215657.db2.gz LLZXDBHCPNDIMN-QWHCGFSZSA-N 2 1 246.358 2.214 20 0 BEADMP C[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000310129690 411216653 /nfs/dbraw/zinc/21/66/53/411216653.db2.gz AABBQKYUVTZBIO-AEGPPILISA-N 2 1 236.403 2.354 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)SC2)CC1 ZINC000655683620 411224814 /nfs/dbraw/zinc/22/48/14/411224814.db2.gz SOHHAIROGUUEDK-YPMHNXCESA-N 2 1 242.432 2.344 20 0 BEADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1(C)CC1 ZINC000423193591 411238161 /nfs/dbraw/zinc/23/81/61/411238161.db2.gz XLONYWUDGPZPFH-ZDUSSCGKSA-N 2 1 247.386 2.340 20 0 BEADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1(C)CC1 ZINC000423193590 411238196 /nfs/dbraw/zinc/23/81/96/411238196.db2.gz XLONYWUDGPZPFH-CYBMUJFWSA-N 2 1 247.386 2.340 20 0 BEADMP Cc1ncc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)s1 ZINC000309790821 411239027 /nfs/dbraw/zinc/23/90/27/411239027.db2.gz UIENAJJMMDLIJJ-VHSXEESVSA-N 2 1 241.404 2.300 20 0 BEADMP Cn1c[nH+]cc1CCC[N@H+](C)C(C)(C)C ZINC000653777785 411167419 /nfs/dbraw/zinc/16/74/19/411167419.db2.gz WMGZNVJXUNTRFU-UHFFFAOYSA-N 2 1 209.337 2.083 20 0 BEADMP Cn1c[nH+]cc1CCC[N@@H+](C)C(C)(C)C ZINC000653777785 411167422 /nfs/dbraw/zinc/16/74/22/411167422.db2.gz WMGZNVJXUNTRFU-UHFFFAOYSA-N 2 1 209.337 2.083 20 0 BEADMP CC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000070652737 411284787 /nfs/dbraw/zinc/28/47/87/411284787.db2.gz KDPTYCOQBZDIDX-CHWSQXEVSA-N 2 1 210.365 2.108 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@]2(C)CC2(C)C)CC1 ZINC000658305821 411328855 /nfs/dbraw/zinc/32/88/55/411328855.db2.gz BBOJBEZJAQBACC-ZDUSSCGKSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@]2(C)CC2(C)C)CC[N@@H+]1C ZINC000658305848 411328896 /nfs/dbraw/zinc/32/88/96/411328896.db2.gz BHPDVGMIOFUWKA-NQBHXWOUSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@]2(C)CC2(C)C)CC[N@H+]1C ZINC000658305848 411328899 /nfs/dbraw/zinc/32/88/99/411328899.db2.gz BHPDVGMIOFUWKA-NQBHXWOUSA-N 2 1 210.365 2.247 20 0 BEADMP CSCCCCC[NH2+]C1CC[NH+](C)CC1 ZINC000186784908 411296432 /nfs/dbraw/zinc/29/64/32/411296432.db2.gz SXDPBOGJBFUEMM-UHFFFAOYSA-N 2 1 230.421 2.204 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC[C@@]2(C)CC2(F)F)CC[N@H+]1C ZINC000658223090 411302449 /nfs/dbraw/zinc/30/24/49/411302449.db2.gz SKGZFQSBBJGRJY-UTUOFQBUSA-N 2 1 246.345 2.494 20 0 BEADMP Cc1cccc(CC[NH2+][C@@H]2C[NH2+]C[C@H](C)C2)c1 ZINC000401787905 411330872 /nfs/dbraw/zinc/33/08/72/411330872.db2.gz VAKFFKVLVRYKIM-HIFRSBDPSA-N 2 1 232.371 2.125 20 0 BEADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000401784570 411330904 /nfs/dbraw/zinc/33/09/04/411330904.db2.gz YWAIDSPSSYKKGM-AAEUAGOBSA-N 2 1 210.365 2.154 20 0 BEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC1CCCC1)C2 ZINC000309411638 411306893 /nfs/dbraw/zinc/30/68/93/411306893.db2.gz GFCLDGVTJNZSPP-KBPBESRZSA-N 2 1 222.376 2.237 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CCCc2cccnc21)C[NH+](C)C ZINC000311099096 411313544 /nfs/dbraw/zinc/31/35/44/411313544.db2.gz JSSJUVPJRZWTSO-TZMCWYRMSA-N 2 1 247.386 2.246 20 0 BEADMP C[C@H](C[NH2+][C@H]1CCCc2cccnc21)C[NH+](C)C ZINC000311099094 411314186 /nfs/dbraw/zinc/31/41/86/411314186.db2.gz JSSJUVPJRZWTSO-OCCSQVGLSA-N 2 1 247.386 2.246 20 0 BEADMP Cc1ccncc1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000658127168 411254244 /nfs/dbraw/zinc/25/42/44/411254244.db2.gz SEFHSWLNTFSASC-HIFRSBDPSA-N 2 1 247.386 2.005 20 0 BEADMP Cc1ccc2c(c1)C[N@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000656786896 411366571 /nfs/dbraw/zinc/36/65/71/411366571.db2.gz CZBSWJSDWHXYNN-AWEZNQCLSA-N 2 1 244.382 2.353 20 0 BEADMP Cc1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1F ZINC000656788499 411368014 /nfs/dbraw/zinc/36/80/14/411368014.db2.gz RVVARRGCWRCTTC-UHFFFAOYSA-N 2 1 236.334 2.495 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](CCF)C2)CC[NH2+]1 ZINC000656790833 411369981 /nfs/dbraw/zinc/36/99/81/411369981.db2.gz BITBVESPENEHOB-MGPQQGTHSA-N 2 1 242.382 2.446 20 0 BEADMP CC1(C)CC[N@@H+](CCC[NH3+])CC(C)(C)C1 ZINC000656790740 411370990 /nfs/dbraw/zinc/37/09/90/411370990.db2.gz MRUOMLVKZHEJSB-UHFFFAOYSA-N 2 1 212.381 2.483 20 0 BEADMP COc1cccc([C@]2(C)CC[N@@H+](CCC[NH3+])C2)c1 ZINC000656791421 411371263 /nfs/dbraw/zinc/37/12/63/411371263.db2.gz GACHHSWXKYBLAA-OAHLLOKOSA-N 2 1 248.370 2.007 20 0 BEADMP C[C@H](Cc1cccs1)[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000401808954 411334596 /nfs/dbraw/zinc/33/45/96/411334596.db2.gz RYLKKWLABHZIIP-QJPTWQEYSA-N 2 1 238.400 2.267 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CCCc2ccco2)CC[N@H+]1C ZINC000658327782 411336135 /nfs/dbraw/zinc/33/61/35/411336135.db2.gz RKCPLCCSXOPDOO-STQMWFEESA-N 2 1 236.359 2.285 20 0 BEADMP C1CC1[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403322134 411342082 /nfs/dbraw/zinc/34/20/82/411342082.db2.gz MAXDUHXPTSWQKZ-YRGRVCCFSA-N 2 1 234.387 2.391 20 0 BEADMP CC1=CC[C@@H]([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000308926341 168116778 /nfs/dbraw/zinc/11/67/78/168116778.db2.gz IISQCWGALXNFSM-GFCCVEGCSA-N 2 1 208.349 2.169 20 0 BEADMP CC1=C[C@@H](C)C[C@@H](C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000368122138 168124334 /nfs/dbraw/zinc/12/43/34/168124334.db2.gz JRXNXWFSZXHSLI-MIGQKNRLSA-N 2 1 248.414 2.472 20 0 BEADMP CC1=C[C@@H](C)C[C@@H](C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC000368122138 168124337 /nfs/dbraw/zinc/12/43/37/168124337.db2.gz JRXNXWFSZXHSLI-MIGQKNRLSA-N 2 1 248.414 2.472 20 0 BEADMP CC1=C[C@@H](C)C[C@@H](C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC000368122138 168124339 /nfs/dbraw/zinc/12/43/39/168124339.db2.gz JRXNXWFSZXHSLI-MIGQKNRLSA-N 2 1 248.414 2.472 20 0 BEADMP CC1CCC([N@@H+](C)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000042488229 168158297 /nfs/dbraw/zinc/15/82/97/168158297.db2.gz ZWLVDNURTGPVTO-ROKHWSDSSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cccnc1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404286481 411388640 /nfs/dbraw/zinc/38/86/40/411388640.db2.gz IFRGYDIYQKEJGH-ZFWWWQNUSA-N 2 1 247.386 2.339 20 0 BEADMP CC(C)CC[N@H+](C)CCCc1c[nH+]cn1C ZINC000653499488 411413673 /nfs/dbraw/zinc/41/36/73/411413673.db2.gz PMBOGNMTGXNSTJ-UHFFFAOYSA-N 2 1 223.364 2.331 20 0 BEADMP CC(C)CC[N@@H+](C)CCCc1c[nH+]cn1C ZINC000653499488 411413675 /nfs/dbraw/zinc/41/36/75/411413675.db2.gz PMBOGNMTGXNSTJ-UHFFFAOYSA-N 2 1 223.364 2.331 20 0 BEADMP C[C@@H]1C[C@H](C[N@@H+]2CCCC(F)(F)C2)CC[NH2+]1 ZINC000405044244 411414080 /nfs/dbraw/zinc/41/40/80/411414080.db2.gz YGFSZZYHBWYELC-GHMZBOCLSA-N 2 1 232.318 2.106 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCCC(F)(F)C2)CC[NH2+]1 ZINC000405044244 411414081 /nfs/dbraw/zinc/41/40/81/411414081.db2.gz YGFSZZYHBWYELC-GHMZBOCLSA-N 2 1 232.318 2.106 20 0 BEADMP CC[C@H](C)C[N@H+](C)CCCc1c[nH+]cn1C ZINC000653555263 411420613 /nfs/dbraw/zinc/42/06/13/411420613.db2.gz RRYZLUSPTPFSFF-LBPRGKRZSA-N 2 1 223.364 2.331 20 0 BEADMP CC[C@H](C)C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000653555263 411420614 /nfs/dbraw/zinc/42/06/14/411420614.db2.gz RRYZLUSPTPFSFF-LBPRGKRZSA-N 2 1 223.364 2.331 20 0 BEADMP CC[C@H]1C[N@H+](Cc2scnc2C)CC[C@@H]1[NH3+] ZINC000122240328 411425660 /nfs/dbraw/zinc/42/56/60/411425660.db2.gz ORXZEECOXJYYKJ-QWRGUYRKSA-N 2 1 239.388 2.011 20 0 BEADMP CC[C@H]1C[N@@H+](Cc2scnc2C)CC[C@@H]1[NH3+] ZINC000122240328 411425662 /nfs/dbraw/zinc/42/56/62/411425662.db2.gz ORXZEECOXJYYKJ-QWRGUYRKSA-N 2 1 239.388 2.011 20 0 BEADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc(N)c2)CC1 ZINC000660415696 411489299 /nfs/dbraw/zinc/48/92/99/411489299.db2.gz IAZCUIFDEUOELQ-HNNXBMFYSA-N 2 1 247.386 2.185 20 0 BEADMP CC(C)CCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000309477744 411498006 /nfs/dbraw/zinc/49/80/06/411498006.db2.gz CKCRJCGGIRGTCG-QWHCGFSZSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000309477744 411498010 /nfs/dbraw/zinc/49/80/10/411498010.db2.gz CKCRJCGGIRGTCG-QWHCGFSZSA-N 2 1 210.365 2.106 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC000659927376 411500639 /nfs/dbraw/zinc/50/06/39/411500639.db2.gz QDFDQBYIIFWQOO-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CO1 ZINC000657486956 411530883 /nfs/dbraw/zinc/53/08/83/411530883.db2.gz CZBANEWYWZJAPV-TZMCWYRMSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000655836749 411532276 /nfs/dbraw/zinc/53/22/76/411532276.db2.gz NXLOXLSDMFTHBI-VNHYZAJKSA-N 2 1 247.386 2.085 20 0 BEADMP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000655836749 411532277 /nfs/dbraw/zinc/53/22/77/411532277.db2.gz NXLOXLSDMFTHBI-VNHYZAJKSA-N 2 1 247.386 2.085 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOC(C)C)C[C@H]1C ZINC000336689381 170010112 /nfs/dbraw/zinc/01/01/12/170010112.db2.gz HMLXROQIFOBNGX-ZIAGYGMSSA-N 2 1 242.407 2.216 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOC(C)C)C[C@H]1C ZINC000336689381 170010114 /nfs/dbraw/zinc/01/01/14/170010114.db2.gz HMLXROQIFOBNGX-ZIAGYGMSSA-N 2 1 242.407 2.216 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000249372164 170010761 /nfs/dbraw/zinc/01/07/61/170010761.db2.gz DBVQTCPPJBSYMT-OLZOCXBDSA-N 2 1 248.370 2.385 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]C2Cc3ccccc3C2)C1 ZINC000037644339 170015040 /nfs/dbraw/zinc/01/50/40/170015040.db2.gz GEFJXUDRFAQSQY-CYBMUJFWSA-N 2 1 244.382 2.085 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000337983866 170016337 /nfs/dbraw/zinc/01/63/37/170016337.db2.gz CHLOFLOWKSSAKB-SNPRPXQTSA-N 2 1 236.403 2.497 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccncc2)C1 ZINC000249379253 170016452 /nfs/dbraw/zinc/01/64/52/170016452.db2.gz OJIFYRBJJVRVRB-CHWSQXEVSA-N 2 1 233.359 2.074 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccnc2)C1 ZINC000249374139 170016646 /nfs/dbraw/zinc/01/66/46/170016646.db2.gz HHPYPQBUVMMREZ-CHWSQXEVSA-N 2 1 233.359 2.074 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccn(C)c2)C[C@H]1C ZINC000353749686 170018016 /nfs/dbraw/zinc/01/80/16/170018016.db2.gz GDLHEZBBLIOXFH-HIFRSBDPSA-N 2 1 249.402 2.330 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccn(C)c2)C[C@H]1C ZINC000353749686 170018017 /nfs/dbraw/zinc/01/80/17/170018017.db2.gz GDLHEZBBLIOXFH-HIFRSBDPSA-N 2 1 249.402 2.330 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccn(C)c2)C[C@H]1C ZINC000353749686 170018018 /nfs/dbraw/zinc/01/80/18/170018018.db2.gz GDLHEZBBLIOXFH-HIFRSBDPSA-N 2 1 249.402 2.330 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccn(C)c2)C[C@H]1C ZINC000353749686 170018019 /nfs/dbraw/zinc/01/80/19/170018019.db2.gz GDLHEZBBLIOXFH-HIFRSBDPSA-N 2 1 249.402 2.330 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCF)C[C@H]1C ZINC000361531315 170018793 /nfs/dbraw/zinc/01/87/93/170018793.db2.gz QMBOCIBSSPMMAH-NEPJUHHUSA-N 2 1 216.344 2.151 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCF)C[C@H]1C ZINC000361531315 170018794 /nfs/dbraw/zinc/01/87/94/170018794.db2.gz QMBOCIBSSPMMAH-NEPJUHHUSA-N 2 1 216.344 2.151 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCF)C[C@H]1C ZINC000361531315 170018795 /nfs/dbraw/zinc/01/87/95/170018795.db2.gz QMBOCIBSSPMMAH-NEPJUHHUSA-N 2 1 216.344 2.151 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)F)[C@@H](C)C1 ZINC000340463549 170020261 /nfs/dbraw/zinc/02/02/61/170020261.db2.gz QZLHYIHRLQPKFO-TUAOUCFPSA-N 2 1 216.344 2.054 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCSC(C)C)[C@@H](C)C1 ZINC000336780278 170020429 /nfs/dbraw/zinc/02/04/29/170020429.db2.gz QTCMVVZOZIOSDP-STQMWFEESA-N 2 1 244.448 2.448 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)F)[C@H](C)C1 ZINC000340463551 170020726 /nfs/dbraw/zinc/02/07/26/170020726.db2.gz QZLHYIHRLQPKFO-UTUOFQBUSA-N 2 1 216.344 2.054 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C)[C@@H](C)C1 ZINC000336746414 170022918 /nfs/dbraw/zinc/02/29/18/170022918.db2.gz BKLBCAXYAGYYME-XQHKEYJVSA-N 2 1 210.365 2.105 20 0 BEADMP CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000307624119 170040933 /nfs/dbraw/zinc/04/09/33/170040933.db2.gz FJTSJNSPVZSZPB-HOTGVXAUSA-N 2 1 244.382 2.460 20 0 BEADMP CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000307624119 170040934 /nfs/dbraw/zinc/04/09/34/170040934.db2.gz FJTSJNSPVZSZPB-HOTGVXAUSA-N 2 1 244.382 2.460 20 0 BEADMP CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000307624119 170040935 /nfs/dbraw/zinc/04/09/35/170040935.db2.gz FJTSJNSPVZSZPB-HOTGVXAUSA-N 2 1 244.382 2.460 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000217838223 411557754 /nfs/dbraw/zinc/55/77/54/411557754.db2.gz XWYUCUWIFQDRMR-CHWSQXEVSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000217838223 411557756 /nfs/dbraw/zinc/55/77/56/411557756.db2.gz XWYUCUWIFQDRMR-CHWSQXEVSA-N 2 1 242.407 2.264 20 0 BEADMP CCOCCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000336704644 170370107 /nfs/dbraw/zinc/37/01/07/170370107.db2.gz NGDYDAGNDIHZIE-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP CCOCCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000336704644 170370109 /nfs/dbraw/zinc/37/01/09/170370109.db2.gz NGDYDAGNDIHZIE-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP CCOCCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000336704644 170370111 /nfs/dbraw/zinc/37/01/11/170370111.db2.gz NGDYDAGNDIHZIE-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP CCOCCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000336708425 170370275 /nfs/dbraw/zinc/37/02/75/170370275.db2.gz HYBIOIAXSRUMFK-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP CCOCCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000336708425 170370276 /nfs/dbraw/zinc/37/02/76/170370276.db2.gz HYBIOIAXSRUMFK-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP CCOCCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000336708425 170370277 /nfs/dbraw/zinc/37/02/77/170370277.db2.gz HYBIOIAXSRUMFK-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP CCOCCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000336704649 170370369 /nfs/dbraw/zinc/37/03/69/170370369.db2.gz NGDYDAGNDIHZIE-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP CCOCCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000336704649 170370370 /nfs/dbraw/zinc/37/03/70/170370370.db2.gz NGDYDAGNDIHZIE-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP CCOCCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000336704649 170370372 /nfs/dbraw/zinc/37/03/72/170370372.db2.gz NGDYDAGNDIHZIE-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CC1 ZINC000663346265 411634224 /nfs/dbraw/zinc/63/42/24/411634224.db2.gz RUJBOCFBQVTNAD-OCCSQVGLSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)C(C)(C)C(F)F ZINC000657825452 411608172 /nfs/dbraw/zinc/60/81/72/411608172.db2.gz ZWAQKPWACFNQPK-VIFPVBQESA-N 2 1 234.334 2.350 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+]C1CCC(C(C)C)CC1 ZINC000663508523 411689972 /nfs/dbraw/zinc/68/99/72/411689972.db2.gz CCKJRYMSBFYDQD-PNESKVBLSA-N 2 1 212.381 2.399 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000663508474 411690459 /nfs/dbraw/zinc/69/04/59/411690459.db2.gz APVHNICAHOXLMM-RYUDHWBXSA-N 2 1 238.350 2.344 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000663512956 411694344 /nfs/dbraw/zinc/69/43/44/411694344.db2.gz HYNAYGDGPGEBKG-AVGNSLFASA-N 2 1 220.360 2.376 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000663514813 411697719 /nfs/dbraw/zinc/69/77/19/411697719.db2.gz UCWANNFJHAWARG-NOZJJQNGSA-N 2 1 238.762 2.005 20 0 BEADMP CCc1cc(NCC[C@H](C)[NH+](C)C)nc(C)[nH+]1 ZINC000664245147 411896603 /nfs/dbraw/zinc/89/66/03/411896603.db2.gz XZCJAUCUKOFRGK-JTQLQIEISA-N 2 1 236.363 2.100 20 0 BEADMP C[C@@H]([NH2+]Cc1c[nH]cn1)C1CCC(F)CC1 ZINC000661997750 411938146 /nfs/dbraw/zinc/93/81/46/411938146.db2.gz CDOFZMGXKPRYDG-KPPDAEKUSA-N 2 1 225.311 2.416 20 0 BEADMP CCCC[NH2+]C(C)(C)C[N@H+](C)CCC ZINC000662174919 412019846 /nfs/dbraw/zinc/01/98/46/412019846.db2.gz PGQCKVXAOIGILJ-UHFFFAOYSA-N 2 1 200.370 2.497 20 0 BEADMP CCCC[NH2+]C(C)(C)C[N@@H+](C)CCC ZINC000662174919 412019849 /nfs/dbraw/zinc/01/98/49/412019849.db2.gz PGQCKVXAOIGILJ-UHFFFAOYSA-N 2 1 200.370 2.497 20 0 BEADMP CO[C@@H](C[N@@H+]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000662235336 412033705 /nfs/dbraw/zinc/03/37/05/412033705.db2.gz QOFLJDLDHOEXEU-KGLIPLIRSA-N 2 1 240.391 2.005 20 0 BEADMP CO[C@@H](C[N@H+]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000662235336 412033707 /nfs/dbraw/zinc/03/37/07/412033707.db2.gz QOFLJDLDHOEXEU-KGLIPLIRSA-N 2 1 240.391 2.005 20 0 BEADMP CO[C@H](C[N@@H+]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000662235337 412034184 /nfs/dbraw/zinc/03/41/84/412034184.db2.gz QOFLJDLDHOEXEU-UONOGXRCSA-N 2 1 240.391 2.005 20 0 BEADMP CO[C@H](C[N@H+]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000662235337 412034193 /nfs/dbraw/zinc/03/41/93/412034193.db2.gz QOFLJDLDHOEXEU-UONOGXRCSA-N 2 1 240.391 2.005 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000662244105 412038954 /nfs/dbraw/zinc/03/89/54/412038954.db2.gz BUEQYIWFVWSILS-GHMZBOCLSA-N 2 1 234.334 2.209 20 0 BEADMP CO[C@@H](C[N@@H+]1CCCC[C@H]1C[NH3+])C1CCCC1 ZINC000662243064 412040020 /nfs/dbraw/zinc/04/00/20/412040020.db2.gz KZSLIZCLMUVDCY-KBPBESRZSA-N 2 1 240.391 2.005 20 0 BEADMP CO[C@@H](C[N@H+]1CCCC[C@H]1C[NH3+])C1CCCC1 ZINC000662243064 412040024 /nfs/dbraw/zinc/04/00/24/412040024.db2.gz KZSLIZCLMUVDCY-KBPBESRZSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC000662247414 412044796 /nfs/dbraw/zinc/04/47/96/412044796.db2.gz XVIKZPGJBBTJOT-CMPLNLGQSA-N 2 1 249.358 2.111 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC000662247414 412044800 /nfs/dbraw/zinc/04/48/00/412044800.db2.gz XVIKZPGJBBTJOT-CMPLNLGQSA-N 2 1 249.358 2.111 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC000662247418 412045152 /nfs/dbraw/zinc/04/51/52/412045152.db2.gz XVIKZPGJBBTJOT-PWSUYJOCSA-N 2 1 249.358 2.111 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC000662247418 412045153 /nfs/dbraw/zinc/04/51/53/412045153.db2.gz XVIKZPGJBBTJOT-PWSUYJOCSA-N 2 1 249.358 2.111 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662248015 412047707 /nfs/dbraw/zinc/04/77/07/412047707.db2.gz QWTGXOVNRDPFHI-XJFOESAGSA-N 2 1 224.392 2.338 20 0 BEADMP C[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662263761 412055636 /nfs/dbraw/zinc/05/56/36/412055636.db2.gz DTVFTZAYSQBTMK-YZIJQKGNSA-N 2 1 234.387 2.247 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000662263447 412056198 /nfs/dbraw/zinc/05/61/98/412056198.db2.gz BHSBLUQHHPYEKX-GMTAPVOTSA-N 2 1 234.334 2.337 20 0 BEADMP CC[C@@H]1CC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000336669954 171011149 /nfs/dbraw/zinc/01/11/49/171011149.db2.gz IEVUBVDMHAILJG-CYBMUJFWSA-N 2 1 221.348 2.314 20 0 BEADMP CC[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000336669954 171011151 /nfs/dbraw/zinc/01/11/51/171011151.db2.gz IEVUBVDMHAILJG-CYBMUJFWSA-N 2 1 221.348 2.314 20 0 BEADMP CC[C@@H]1C[N@H+](Cc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000134102136 412058442 /nfs/dbraw/zinc/05/84/42/412058442.db2.gz RKFYXIDMEKSQCE-OCCSQVGLSA-N 2 1 236.334 2.385 20 0 BEADMP CC[C@@H]1C[N@@H+](Cc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000134102136 412058447 /nfs/dbraw/zinc/05/84/47/412058447.db2.gz RKFYXIDMEKSQCE-OCCSQVGLSA-N 2 1 236.334 2.385 20 0 BEADMP CC[C@@H]1CC[C@@H](C)[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000136234206 171038485 /nfs/dbraw/zinc/03/84/85/171038485.db2.gz PPSWVQXXPHDNNZ-FRRDWIJNSA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000310010550 171042031 /nfs/dbraw/zinc/04/20/31/171042031.db2.gz ILIXYWFWFMLTJU-OLZOCXBDSA-N 2 1 221.348 2.360 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000309612746 171044914 /nfs/dbraw/zinc/04/49/14/171044914.db2.gz AQWVQYUFZYSFPU-MQYQWHSLSA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000309612750 171045493 /nfs/dbraw/zinc/04/54/93/171045493.db2.gz AQWVQYUFZYSFPU-RQJABVFESA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+]CC[N@H+](CC)C(C)C ZINC000309236956 171059530 /nfs/dbraw/zinc/05/95/30/171059530.db2.gz XRTYYHRYJDOXII-CHWSQXEVSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+]CC[N@@H+](CC)C(C)C ZINC000309236956 171059531 /nfs/dbraw/zinc/05/95/31/171059531.db2.gz XRTYYHRYJDOXII-CHWSQXEVSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1C[N@H+](CC[C@@H]2CCc3ccccc32)C[C@H]1[NH3+] ZINC000662275948 412067639 /nfs/dbraw/zinc/06/76/39/412067639.db2.gz GBFPQYKAEYFBNT-IVMMDQJWSA-N 2 1 244.382 2.386 20 0 BEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCc3ccccc32)C[C@H]1[NH3+] ZINC000662275948 412067642 /nfs/dbraw/zinc/06/76/42/412067642.db2.gz GBFPQYKAEYFBNT-IVMMDQJWSA-N 2 1 244.382 2.386 20 0 BEADMP CC(C)=CCC[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000662275833 412068082 /nfs/dbraw/zinc/06/80/82/412068082.db2.gz FBJBXYJQKHTBOL-YNEHKIRRSA-N 2 1 210.365 2.319 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000662276273 412070032 /nfs/dbraw/zinc/07/00/32/412070032.db2.gz INIINUVWMIJLEK-AEJSXWLSSA-N 2 1 220.307 2.089 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000662276273 412070035 /nfs/dbraw/zinc/07/00/35/412070035.db2.gz INIINUVWMIJLEK-AEJSXWLSSA-N 2 1 220.307 2.089 20 0 BEADMP C[C@@H]1CC[N@@H+](CCCC2CCC2)C[C@@H]1C[NH3+] ZINC000662280468 412071080 /nfs/dbraw/zinc/07/10/80/412071080.db2.gz FBDDGEJABNCNTD-OCCSQVGLSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCC1CCC1 ZINC000662284749 412076699 /nfs/dbraw/zinc/07/66/99/412076699.db2.gz PGFADEHBDLHCQR-AAEUAGOBSA-N 2 1 210.365 2.378 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000662282051 412072434 /nfs/dbraw/zinc/07/24/34/412072434.db2.gz CGTUVFZXCKIYHD-MCIONIFRSA-N 2 1 234.387 2.251 20 0 BEADMP CC[C@H](C)C[N@@H+]1C[C@@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000310266580 171282783 /nfs/dbraw/zinc/28/27/83/171282783.db2.gz FNVWSFIDWPQVGF-NWANDNLSSA-N 2 1 232.371 2.459 20 0 BEADMP CC[C@H](C)C[N@H+]1C[C@@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000310266580 171282785 /nfs/dbraw/zinc/28/27/85/171282785.db2.gz FNVWSFIDWPQVGF-NWANDNLSSA-N 2 1 232.371 2.459 20 0 BEADMP CC[C@H](C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140818 171284277 /nfs/dbraw/zinc/28/42/77/171284277.db2.gz IIRYHEGZSQVELV-NSHDSACASA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@H](C)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037485294 171285182 /nfs/dbraw/zinc/28/51/82/171285182.db2.gz GBTOSBZJTUUTDM-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000356874470 171306512 /nfs/dbraw/zinc/30/65/12/171306512.db2.gz QHGNSYVKSLVJDV-MELADBBJSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000356874470 171306514 /nfs/dbraw/zinc/30/65/14/171306514.db2.gz QHGNSYVKSLVJDV-MELADBBJSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@H]1CCC[N@@H+](CC2CC=CC2)[C@H]1CC[NH3+] ZINC000662285850 412078572 /nfs/dbraw/zinc/07/85/72/412078572.db2.gz NSCGGZTULOXDKW-JSGCOSHPSA-N 2 1 222.376 2.402 20 0 BEADMP CCc1ccccc1C[N@H+](C)CC(C)(C)[NH3+] ZINC000662292929 412079221 /nfs/dbraw/zinc/07/92/21/412079221.db2.gz CBLWEPVZRFMRTM-UHFFFAOYSA-N 2 1 220.360 2.418 20 0 BEADMP CCc1ccccc1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000662292929 412079223 /nfs/dbraw/zinc/07/92/23/412079223.db2.gz CBLWEPVZRFMRTM-UHFFFAOYSA-N 2 1 220.360 2.418 20 0 BEADMP C[N@@H+](CCCc1cccc(F)c1)CC(C)(C)[NH3+] ZINC000662294228 412081329 /nfs/dbraw/zinc/08/13/29/412081329.db2.gz JSFJUQUOCMRWJW-UHFFFAOYSA-N 2 1 238.350 2.427 20 0 BEADMP C[C@@H]([NH3+])C[N@@H+]1CCc2ccccc2C(C)(C)C1 ZINC000662299010 412087306 /nfs/dbraw/zinc/08/73/06/412087306.db2.gz INXMGHWZXGPFHP-GFCCVEGCSA-N 2 1 232.371 2.170 20 0 BEADMP C[C@@H]([NH3+])C[N@H+]1CCc2ccccc2C(C)(C)C1 ZINC000662299010 412087308 /nfs/dbraw/zinc/08/73/08/412087308.db2.gz INXMGHWZXGPFHP-GFCCVEGCSA-N 2 1 232.371 2.170 20 0 BEADMP [NH3+]CC12CC(C1)C[N@H+]2[C@@H]1CCCc2ccccc21 ZINC000662308138 412093028 /nfs/dbraw/zinc/09/30/28/412093028.db2.gz XAFKOZOQNQDIRS-DSSZZKGTSA-N 2 1 242.366 2.487 20 0 BEADMP FCC[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000662310625 412094693 /nfs/dbraw/zinc/09/46/93/412094693.db2.gz LSYHKHFZOQLDIG-CQSZACIVSA-N 2 1 242.382 2.448 20 0 BEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000662316309 412098583 /nfs/dbraw/zinc/09/85/83/412098583.db2.gz ZOJKMASOOSXINP-ZIAGYGMSSA-N 2 1 222.376 2.108 20 0 BEADMP CCC[C@@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322521 412101032 /nfs/dbraw/zinc/10/10/32/412101032.db2.gz ILIBASPUKWGJOT-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP C[N@@H+](CCC1CC[NH2+]CC1)C[C@@H]1CC1(C)C ZINC000662330246 412104329 /nfs/dbraw/zinc/10/43/29/412104329.db2.gz CUVDQWCSIGWQLR-ZDUSSCGKSA-N 2 1 224.392 2.354 20 0 BEADMP C[NH2+]CCC[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000662326999 412104434 /nfs/dbraw/zinc/10/44/34/412104434.db2.gz CZODAPKYVSYPER-UHFFFAOYSA-N 2 1 230.355 2.217 20 0 BEADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1CC1(C)C ZINC000662331578 412105323 /nfs/dbraw/zinc/10/53/23/412105323.db2.gz NRLNLXGRGYMEPO-QWHCGFSZSA-N 2 1 224.392 2.354 20 0 BEADMP Cc1cc(C)cc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000665245473 412189568 /nfs/dbraw/zinc/18/95/68/412189568.db2.gz JSAVNBIJPHQENB-ZIAGYGMSSA-N 2 1 218.344 2.273 20 0 BEADMP Cc1ccncc1[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665248354 412193010 /nfs/dbraw/zinc/19/30/10/412193010.db2.gz VMMHYNVENDGPPX-GFCCVEGCSA-N 2 1 233.359 2.312 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)[C@H]1CCC[NH2+]1 ZINC000665273733 412215275 /nfs/dbraw/zinc/21/52/75/412215275.db2.gz CKQMDMNMGXRJTR-IVZWLZJFSA-N 2 1 232.318 2.008 20 0 BEADMP C[C@@H]([NH2+]CCC(C)(C)F)c1c[nH+]ccc1N ZINC000665262262 412205371 /nfs/dbraw/zinc/20/53/71/412205371.db2.gz XHMKJZYDIHYNHT-SECBINFHSA-N 2 1 225.311 2.283 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCC1CCC1 ZINC000665267307 412210898 /nfs/dbraw/zinc/21/08/98/412210898.db2.gz UJWOVXNDOWIGDG-WCQYABFASA-N 2 1 210.365 2.154 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@H]1C[C@H](OCC(C)C)C1(C)C ZINC000665295812 412242410 /nfs/dbraw/zinc/24/24/10/412242410.db2.gz JSOVSBXYIQMDGE-AVGNSLFASA-N 2 1 242.407 2.024 20 0 BEADMP CC[C@H](Cc1cccs1)[NH2+][C@@H](C)C[NH2+]C ZINC000665295513 412243052 /nfs/dbraw/zinc/24/30/52/412243052.db2.gz FJOJHIRSAXOBDH-WDEREUQCSA-N 2 1 226.389 2.267 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@H](CCC(C)C)C1CC1 ZINC000665297344 412244673 /nfs/dbraw/zinc/24/46/73/412244673.db2.gz DMBYZDSWPYMBGI-DGCLKSJQSA-N 2 1 212.381 2.399 20 0 BEADMP C[C@H]1C[C@@H](Nc2cc[nH+]c3ccsc32)CC[NH2+]1 ZINC000663238853 412398276 /nfs/dbraw/zinc/39/82/76/412398276.db2.gz DUWOBZBDACSSOQ-UWVGGRQHSA-N 2 1 247.367 2.271 20 0 BEADMP C[NH+](C)C1(C[NH2+]CC(C)(C)C)CCCC1 ZINC000112339347 172403096 /nfs/dbraw/zinc/40/30/96/172403096.db2.gz JLXOXETWCHMYRV-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2C[C@H]2c2ccccc2F)CC1 ZINC000335151393 172998108 /nfs/dbraw/zinc/99/81/08/172998108.db2.gz WNVHHULKOIWLAP-DZGCQCFKSA-N 2 1 248.345 2.365 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000355173911 173029044 /nfs/dbraw/zinc/02/90/44/173029044.db2.gz PUTUZLDFYPJWLU-MCIONIFRSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000355173911 173029046 /nfs/dbraw/zinc/02/90/46/173029046.db2.gz PUTUZLDFYPJWLU-MCIONIFRSA-N 2 1 222.376 2.345 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1C1CC1 ZINC000371205636 173050642 /nfs/dbraw/zinc/05/06/42/173050642.db2.gz UFPOVXQRKAGYNL-KBPBESRZSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1C1CC1 ZINC000371205636 173050644 /nfs/dbraw/zinc/05/06/44/173050644.db2.gz UFPOVXQRKAGYNL-KBPBESRZSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1C1CC1 ZINC000371205636 173050646 /nfs/dbraw/zinc/05/06/46/173050646.db2.gz UFPOVXQRKAGYNL-KBPBESRZSA-N 2 1 222.376 2.345 20 0 BEADMP C[N@H+]1CCC[C@]2(CC[NH+](CC3CCC3)C2)C1 ZINC000336581152 173062293 /nfs/dbraw/zinc/06/22/93/173062293.db2.gz LLYQVGJQMKKXGZ-AWEZNQCLSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CCC[C@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC000336581152 173062294 /nfs/dbraw/zinc/06/22/94/173062294.db2.gz LLYQVGJQMKKXGZ-AWEZNQCLSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC000336581152 173062296 /nfs/dbraw/zinc/06/22/96/173062296.db2.gz LLYQVGJQMKKXGZ-AWEZNQCLSA-N 2 1 222.376 2.204 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC2(C)C)[C@@H]2CCC[C@H]21 ZINC000353399066 173151534 /nfs/dbraw/zinc/15/15/34/173151534.db2.gz ANQSOZWLXUWSGI-XDQVBPFNSA-N 2 1 236.403 2.495 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC2CCC2)[C@H]2CCC[C@H]21 ZINC000309501062 173152659 /nfs/dbraw/zinc/15/26/59/173152659.db2.gz ZTNQMCHRWHERJX-HZSPNIEDSA-N 2 1 222.376 2.249 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccco2)[C@H]2CCC[C@H]21 ZINC000353432132 173153307 /nfs/dbraw/zinc/15/33/07/173153307.db2.gz AQNCMAZFNAOPQE-QLFBSQMISA-N 2 1 248.370 2.285 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccoc2)[C@H]2CCC[C@@H]21 ZINC000367527915 173154944 /nfs/dbraw/zinc/15/49/44/173154944.db2.gz UHCYEEHGFMMIJS-RDBSUJKOSA-N 2 1 234.343 2.242 20 0 BEADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccco2)C1 ZINC000290372136 173161911 /nfs/dbraw/zinc/16/19/11/173161911.db2.gz HMYDIICSMWIZDL-JSGCOSHPSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccco2)C1 ZINC000290372136 173161913 /nfs/dbraw/zinc/16/19/13/173161913.db2.gz HMYDIICSMWIZDL-JSGCOSHPSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccco2)C1 ZINC000290372136 173161914 /nfs/dbraw/zinc/16/19/14/173161914.db2.gz HMYDIICSMWIZDL-JSGCOSHPSA-N 2 1 234.343 2.196 20 0 BEADMP C[N@H+]1CC[C@]2(CC[NH+](CCCCCF)C2)C1 ZINC000366495526 173167892 /nfs/dbraw/zinc/16/78/92/173167892.db2.gz GUOBPGGUJDLJRQ-ZDUSSCGKSA-N 2 1 228.355 2.154 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@H+](CCCCCF)C2)C1 ZINC000366495526 173167894 /nfs/dbraw/zinc/16/78/94/173167894.db2.gz GUOBPGGUJDLJRQ-ZDUSSCGKSA-N 2 1 228.355 2.154 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCCCF)C2)C1 ZINC000366495526 173167898 /nfs/dbraw/zinc/16/78/98/173167898.db2.gz GUOBPGGUJDLJRQ-ZDUSSCGKSA-N 2 1 228.355 2.154 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1cccc(C)c1 ZINC000042435874 173345876 /nfs/dbraw/zinc/34/58/76/173345876.db2.gz MYBDYNFVQCTSIO-UHFFFAOYSA-N 2 1 206.333 2.036 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C[C@H](C)CC(C)C ZINC000300853043 173346439 /nfs/dbraw/zinc/34/64/39/173346439.db2.gz FOFNWCRBMMIDRO-GFCCVEGCSA-N 2 1 200.370 2.210 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000011888667 173367651 /nfs/dbraw/zinc/36/76/51/173367651.db2.gz GISPBXMQNUTCCD-NSHDSACASA-N 2 1 224.373 2.180 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000011888667 173367652 /nfs/dbraw/zinc/36/76/52/173367652.db2.gz GISPBXMQNUTCCD-NSHDSACASA-N 2 1 224.373 2.180 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H](C)CC(C)C ZINC000300967072 173368853 /nfs/dbraw/zinc/36/88/53/173368853.db2.gz RPZLXPUGISVTFU-OLZOCXBDSA-N 2 1 212.381 2.352 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1c(C)cccc1C ZINC000130897761 173369176 /nfs/dbraw/zinc/36/91/76/173369176.db2.gz WVDFYDXRHKNNIW-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1c(C)cccc1C ZINC000130897761 173369177 /nfs/dbraw/zinc/36/91/77/173369177.db2.gz WVDFYDXRHKNNIW-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC000053031454 173369777 /nfs/dbraw/zinc/36/97/77/173369777.db2.gz IQULHYFLHXGSDS-ZDUSSCGKSA-N 2 1 210.365 2.108 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2C)C1 ZINC000226638595 173370509 /nfs/dbraw/zinc/37/05/09/173370509.db2.gz KLFHTYXLSZCLRG-IHRRRGAJSA-N 2 1 224.392 2.354 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC000071142058 173370764 /nfs/dbraw/zinc/37/07/64/173370764.db2.gz HUAYMWCXJAUOTH-AWEZNQCLSA-N 2 1 232.371 2.345 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC000071142431 173371292 /nfs/dbraw/zinc/37/12/92/173371292.db2.gz YGZAODWEBWHMLD-HNNXBMFYSA-N 2 1 232.371 2.345 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC000040592089 173378579 /nfs/dbraw/zinc/37/85/79/173378579.db2.gz LHXUCJDWVYSDEG-CHWSQXEVSA-N 2 1 233.359 2.074 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2ccccn2)C1 ZINC000040592089 173378581 /nfs/dbraw/zinc/37/85/81/173378581.db2.gz LHXUCJDWVYSDEG-CHWSQXEVSA-N 2 1 233.359 2.074 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2cccnc2)C1 ZINC000040592526 173379112 /nfs/dbraw/zinc/37/91/12/173379112.db2.gz ONBGGHIHXWUELJ-QWHCGFSZSA-N 2 1 233.359 2.074 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2cccnc2)C1 ZINC000040592526 173379113 /nfs/dbraw/zinc/37/91/13/173379113.db2.gz ONBGGHIHXWUELJ-QWHCGFSZSA-N 2 1 233.359 2.074 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](C)c2ccccc2)C1 ZINC000071142560 173381315 /nfs/dbraw/zinc/38/13/15/173381315.db2.gz GCKDVGNWRPGYLR-UONOGXRCSA-N 2 1 232.371 2.331 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000053032174 173382254 /nfs/dbraw/zinc/38/22/54/173382254.db2.gz NGRKENWEZCUZFI-NWDGAFQWSA-N 2 1 236.334 2.428 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000053032174 173382256 /nfs/dbraw/zinc/38/22/56/173382256.db2.gz NGRKENWEZCUZFI-NWDGAFQWSA-N 2 1 236.334 2.428 20 0 BEADMP COCCCCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365405606 174177793 /nfs/dbraw/zinc/17/77/93/174177793.db2.gz TUSFMYPETDQRGB-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP COCCC[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000336723611 174261926 /nfs/dbraw/zinc/26/19/26/174261926.db2.gz ATXCKOLRZOFLFB-CHWSQXEVSA-N 2 1 230.396 2.120 20 0 BEADMP COCCC[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000336723611 174261928 /nfs/dbraw/zinc/26/19/28/174261928.db2.gz ATXCKOLRZOFLFB-CHWSQXEVSA-N 2 1 230.396 2.120 20 0 BEADMP COCCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363546410 174264406 /nfs/dbraw/zinc/26/44/06/174264406.db2.gz RKZOAPLDPKJKKU-IHRRRGAJSA-N 2 1 240.391 2.018 20 0 BEADMP COCCC[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000336723613 174264932 /nfs/dbraw/zinc/26/49/32/174264932.db2.gz ATXCKOLRZOFLFB-QWHCGFSZSA-N 2 1 230.396 2.120 20 0 BEADMP COCCC[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000336723613 174264934 /nfs/dbraw/zinc/26/49/34/174264934.db2.gz ATXCKOLRZOFLFB-QWHCGFSZSA-N 2 1 230.396 2.120 20 0 BEADMP COCC[NH+]1CCC([NH2+]CCCC(C)C)CC1 ZINC000338436527 174305420 /nfs/dbraw/zinc/30/54/20/174305420.db2.gz MSVHMDUMWPVNIO-UHFFFAOYSA-N 2 1 242.407 2.123 20 0 BEADMP COc1ccc(C)cc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131691893 175075025 /nfs/dbraw/zinc/07/50/25/175075025.db2.gz NYKAIWCVHBKNNN-QWHCGFSZSA-N 2 1 248.370 2.173 20 0 BEADMP COc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000070533450 175099670 /nfs/dbraw/zinc/09/96/70/175099670.db2.gz RWFPAYTWSTWHSG-CYBMUJFWSA-N 2 1 248.370 2.256 20 0 BEADMP CC(C)C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000053658198 487630227 /nfs/dbraw/zinc/63/02/27/487630227.db2.gz MQCINLQPCDKFQP-AWEZNQCLSA-N 2 1 224.392 2.354 20 0 BEADMP COc1cccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000049713133 175260689 /nfs/dbraw/zinc/26/06/89/175260689.db2.gz PPNDBIXHMNCWLQ-YPMHNXCESA-N 2 1 234.343 2.007 20 0 BEADMP COc1cccc2c1CC[C@@H]2[NH2+]CCC[NH+](C)C ZINC000268700098 175302896 /nfs/dbraw/zinc/30/28/96/175302896.db2.gz DZMVVSWLZPPVPB-AWEZNQCLSA-N 2 1 248.370 2.224 20 0 BEADMP COc1cccc2c1CC[C@H]2[NH2+]CCC[NH+](C)C ZINC000268700100 175303379 /nfs/dbraw/zinc/30/33/79/175303379.db2.gz DZMVVSWLZPPVPB-CQSZACIVSA-N 2 1 248.370 2.224 20 0 BEADMP COc1ccccc1CCC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000019933295 175322513 /nfs/dbraw/zinc/32/25/13/175322513.db2.gz FQPAVJBZSGERGG-CQSZACIVSA-N 2 1 248.370 2.051 20 0 BEADMP COc1ccccc1CCC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000019933295 175322514 /nfs/dbraw/zinc/32/25/14/175322514.db2.gz FQPAVJBZSGERGG-CQSZACIVSA-N 2 1 248.370 2.051 20 0 BEADMP COc1ccccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000163488288 175326962 /nfs/dbraw/zinc/32/69/62/175326962.db2.gz WKBONDJEZHGZOB-JSGCOSHPSA-N 2 1 248.370 2.112 20 0 BEADMP COc1ccccc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000113655519 175327472 /nfs/dbraw/zinc/32/74/72/175327472.db2.gz KWZVMWUXGYEKGM-STQMWFEESA-N 2 1 248.370 2.254 20 0 BEADMP CSCCC[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000300855843 175478487 /nfs/dbraw/zinc/47/84/87/175478487.db2.gz OKYQYOAACCPFOJ-NWDGAFQWSA-N 2 1 230.421 2.059 20 0 BEADMP C[C@@H](c1cccnc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000094010921 176029347 /nfs/dbraw/zinc/02/93/47/176029347.db2.gz NAMFRWOCWVLKGS-LBPRGKRZSA-N 2 1 233.359 2.074 20 0 BEADMP C[C@@H](c1cccnc1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000265915993 176029355 /nfs/dbraw/zinc/02/93/55/176029355.db2.gz BISOGZVZYBOYSU-KBPBESRZSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@@H](c1cccnc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000265915993 176029360 /nfs/dbraw/zinc/02/93/60/176029360.db2.gz BISOGZVZYBOYSU-KBPBESRZSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@@H](c1cccnc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000265915993 176029361 /nfs/dbraw/zinc/02/93/61/176029361.db2.gz BISOGZVZYBOYSU-KBPBESRZSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccn(C)c1 ZINC000091007082 176072020 /nfs/dbraw/zinc/07/20/20/176072020.db2.gz BJHJTBSOCFXTQP-CQSZACIVSA-N 2 1 249.402 2.379 20 0 BEADMP C[C@@H]1CCC[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)C1 ZINC000042495698 176121336 /nfs/dbraw/zinc/12/13/36/176121336.db2.gz HUMOLXMHUWORFZ-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CC[N@H+](Cc2ccccc2F)C[C@@H]1C[NH3+] ZINC000163393780 176175164 /nfs/dbraw/zinc/17/51/64/176175164.db2.gz DMJHNUVJWANDSQ-YPMHNXCESA-N 2 1 236.334 2.242 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2ccccc2F)C[C@@H]1C[NH3+] ZINC000163393780 176175165 /nfs/dbraw/zinc/17/51/65/176175165.db2.gz DMJHNUVJWANDSQ-YPMHNXCESA-N 2 1 236.334 2.242 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000335024128 176186371 /nfs/dbraw/zinc/18/63/71/176186371.db2.gz WEOSWJKCXDAJAO-ZYHUDNBSSA-N 2 1 246.345 2.400 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C1 ZINC000128699411 176213967 /nfs/dbraw/zinc/21/39/67/176213967.db2.gz LGTFQYCPCKTWSO-RTXFEEFZSA-N 2 1 210.365 2.282 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336717140 176218230 /nfs/dbraw/zinc/21/82/30/176218230.db2.gz XUVHLWQQVGGQPA-LPWJVIDDSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C1 ZINC000128698991 176233299 /nfs/dbraw/zinc/23/32/99/176233299.db2.gz LGTFQYCPCKTWSO-WXHSDQCUSA-N 2 1 210.365 2.282 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000358302577 176268913 /nfs/dbraw/zinc/26/89/13/176268913.db2.gz PSPPWDWXLNGYAN-UTUOFQBUSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000358302577 176268916 /nfs/dbraw/zinc/26/89/16/176268916.db2.gz PSPPWDWXLNGYAN-UTUOFQBUSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccccc1 ZINC000128188641 176269817 /nfs/dbraw/zinc/26/98/17/176269817.db2.gz IFKNTQHOSCZARD-HIFRSBDPSA-N 2 1 232.371 2.159 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000336778902 176270398 /nfs/dbraw/zinc/27/03/98/176270398.db2.gz MQWBSIMREOTHHI-VXGBXAGGSA-N 2 1 228.355 2.199 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CC12CCCC2 ZINC000336749064 176270848 /nfs/dbraw/zinc/27/08/48/176270848.db2.gz TYWUWPWZQZOVME-UPJWGTAASA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CC12CCCC2 ZINC000336749064 176270850 /nfs/dbraw/zinc/27/08/50/176270850.db2.gz TYWUWPWZQZOVME-UPJWGTAASA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCCF ZINC000336713679 176277944 /nfs/dbraw/zinc/27/79/44/176277944.db2.gz VSEKDGSSWCAMSE-IJLUTSLNSA-N 2 1 216.344 2.054 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000336781418 176278456 /nfs/dbraw/zinc/27/84/56/176278456.db2.gz UPZKXKVCIPUXBL-KKZNHRDASA-N 2 1 232.318 2.102 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000359003341 176278752 /nfs/dbraw/zinc/27/87/52/176278752.db2.gz QTAMMOKJHFZPCH-MXWKQRLJSA-N 2 1 246.345 2.350 20 0 BEADMP C[C@@H]1C[N@@H+](CCCC(C)(C)C)CC[C@H]1[NH3+] ZINC000300836082 176287597 /nfs/dbraw/zinc/28/75/97/176287597.db2.gz INTNPPMNVQNEMS-VXGBXAGGSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CCS1 ZINC000336467903 176292164 /nfs/dbraw/zinc/29/21/64/176292164.db2.gz UKGXMDKELSLFON-OLZOCXBDSA-N 2 1 242.432 2.298 20 0 BEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CCS1 ZINC000336467903 176292166 /nfs/dbraw/zinc/29/21/66/176292166.db2.gz UKGXMDKELSLFON-OLZOCXBDSA-N 2 1 242.432 2.298 20 0 BEADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CCS1 ZINC000336467903 176292167 /nfs/dbraw/zinc/29/21/67/176292167.db2.gz UKGXMDKELSLFON-OLZOCXBDSA-N 2 1 242.432 2.298 20 0 BEADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CCS1 ZINC000336467903 176292169 /nfs/dbraw/zinc/29/21/69/176292169.db2.gz UKGXMDKELSLFON-OLZOCXBDSA-N 2 1 242.432 2.298 20 0 BEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000310290930 176328146 /nfs/dbraw/zinc/32/81/46/176328146.db2.gz ROEWUUKWAPZMCI-NOZJJQNGSA-N 2 1 240.297 2.052 20 0 BEADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC2CCCC2)CC[NH2+]1 ZINC000235378969 176368245 /nfs/dbraw/zinc/36/82/45/176368245.db2.gz XGJOYLGVOMIHRI-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC(C)(C)C2)CC[NH2+]1 ZINC000235380658 176368506 /nfs/dbraw/zinc/36/85/06/176368506.db2.gz XFVUNXCSFJMTLP-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)[C@@H]1C ZINC000309257503 176375732 /nfs/dbraw/zinc/37/57/32/176375732.db2.gz ARKMMSNHEBZPSY-YRGRVCCFSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)[C@@H]1C ZINC000309257503 176375735 /nfs/dbraw/zinc/37/57/35/176375735.db2.gz ARKMMSNHEBZPSY-YRGRVCCFSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2O)CC[N@H+]1C ZINC000154920170 176376572 /nfs/dbraw/zinc/37/65/72/176376572.db2.gz IHAAYCHBXCUWIN-OCCSQVGLSA-N 2 1 248.370 2.007 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000336781669 176395775 /nfs/dbraw/zinc/39/57/75/176395775.db2.gz VGFLZNYJNAHTQQ-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000309749230 176397865 /nfs/dbraw/zinc/39/78/65/176397865.db2.gz GIPCXYYVVOOYIX-UPJWGTAASA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000309749230 176397868 /nfs/dbraw/zinc/39/78/68/176397868.db2.gz GIPCXYYVVOOYIX-UPJWGTAASA-N 2 1 222.376 2.249 20 0 BEADMP CCCC[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000383513594 487634174 /nfs/dbraw/zinc/63/41/74/487634174.db2.gz HDZSMWPBCNYFDS-ZIAGYGMSSA-N 2 1 244.423 2.198 20 0 BEADMP CCCC[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000383513594 487634180 /nfs/dbraw/zinc/63/41/80/487634180.db2.gz HDZSMWPBCNYFDS-ZIAGYGMSSA-N 2 1 244.423 2.198 20 0 BEADMP CCCC[C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000383513572 487634342 /nfs/dbraw/zinc/63/43/42/487634342.db2.gz HDZSMWPBCNYFDS-KGLIPLIRSA-N 2 1 244.423 2.198 20 0 BEADMP CCCC[C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000383513572 487634348 /nfs/dbraw/zinc/63/43/48/487634348.db2.gz HDZSMWPBCNYFDS-KGLIPLIRSA-N 2 1 244.423 2.198 20 0 BEADMP C[C@H](c1ccccc1F)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107578093 177041506 /nfs/dbraw/zinc/04/15/06/177041506.db2.gz ARKMTBNHMRASBO-UTUOFQBUSA-N 2 1 234.318 2.038 20 0 BEADMP C[C@H](c1ccccc1F)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107578093 177041507 /nfs/dbraw/zinc/04/15/07/177041507.db2.gz ARKMTBNHMRASBO-UTUOFQBUSA-N 2 1 234.318 2.038 20 0 BEADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccn1C ZINC000020360527 177074741 /nfs/dbraw/zinc/07/47/41/177074741.db2.gz ZXNLKLBYQFBZQB-AWEZNQCLSA-N 2 1 249.402 2.379 20 0 BEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccn1C ZINC000020360527 177074743 /nfs/dbraw/zinc/07/47/43/177074743.db2.gz ZXNLKLBYQFBZQB-AWEZNQCLSA-N 2 1 249.402 2.379 20 0 BEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc[nH]c1 ZINC000080773211 177075198 /nfs/dbraw/zinc/07/51/98/177075198.db2.gz JNRSRWGBLCEWQO-ZDUSSCGKSA-N 2 1 235.375 2.369 20 0 BEADMP C[C@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000124656712 177077821 /nfs/dbraw/zinc/07/78/21/177077821.db2.gz CAJNOULRPRSQJJ-STQMWFEESA-N 2 1 210.365 2.345 20 0 BEADMP C[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000124656712 177077822 /nfs/dbraw/zinc/07/78/22/177077822.db2.gz CAJNOULRPRSQJJ-STQMWFEESA-N 2 1 210.365 2.345 20 0 BEADMP C[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000124656712 177077823 /nfs/dbraw/zinc/07/78/23/177077823.db2.gz CAJNOULRPRSQJJ-STQMWFEESA-N 2 1 210.365 2.345 20 0 BEADMP C[C@H]1CCC[C@H](CC[N@@H+]2CC[C@@H]([NH3+])C2)C1 ZINC000226869466 177132642 /nfs/dbraw/zinc/13/26/42/177132642.db2.gz HCRQXGXLRVFCLG-YNEHKIRRSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]1CCC[C@H](CC[N@H+]2CC[C@@H]([NH3+])C2)C1 ZINC000226869466 177132644 /nfs/dbraw/zinc/13/26/44/177132644.db2.gz HCRQXGXLRVFCLG-YNEHKIRRSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000336347246 177160273 /nfs/dbraw/zinc/16/02/73/177160273.db2.gz AXBYJNWFTCSNGK-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000336347246 177160274 /nfs/dbraw/zinc/16/02/74/177160274.db2.gz AXBYJNWFTCSNGK-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000336347246 177160275 /nfs/dbraw/zinc/16/02/75/177160275.db2.gz AXBYJNWFTCSNGK-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000335024125 177174694 /nfs/dbraw/zinc/17/46/94/177174694.db2.gz WEOSWJKCXDAJAO-JQWIXIFHSA-N 2 1 246.345 2.400 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC000336236002 177234223 /nfs/dbraw/zinc/23/42/23/177234223.db2.gz GIPIORSPFUVUOC-GXTWGEPZSA-N 2 1 222.376 2.417 20 0 BEADMP C[C@H]1C[N@@H+](CCC2CCCC2)CC[C@@H]1[NH3+] ZINC000049713034 177246981 /nfs/dbraw/zinc/24/69/81/177246981.db2.gz VQPPCRBHGUAXFG-AAEUAGOBSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000051918882 177312709 /nfs/dbraw/zinc/31/27/09/177312709.db2.gz DTTPXXKDUUTOLF-MJBXVCDLSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000336651732 177317165 /nfs/dbraw/zinc/31/71/65/177317165.db2.gz VSKQNTXYMCAYLV-FRRDWIJNSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@H](C)[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000336651732 177317167 /nfs/dbraw/zinc/31/71/67/177317167.db2.gz VSKQNTXYMCAYLV-FRRDWIJNSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@H](C)[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000336651732 177317169 /nfs/dbraw/zinc/31/71/69/177317169.db2.gz VSKQNTXYMCAYLV-FRRDWIJNSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]1C[C@@H](C[N@H+]2CCCC(C)(C)C2)CC[NH2+]1 ZINC000235698762 177324308 /nfs/dbraw/zinc/32/43/08/177324308.db2.gz VJSXXZBHWXUWCE-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1C[C@@H](C[N@H+]2CCSC(C)(C)C2)CC[NH2+]1 ZINC000235699479 177325017 /nfs/dbraw/zinc/32/50/17/177325017.db2.gz SIMNHEALXOFQPG-RYUDHWBXSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccs1 ZINC000049712692 177327902 /nfs/dbraw/zinc/32/79/02/177327902.db2.gz RPMZHVZUTQBWJA-UWVGGRQHSA-N 2 1 210.346 2.060 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CC2(C(F)F)CC2)CC[N@H+]1C ZINC000309810341 177330774 /nfs/dbraw/zinc/33/07/74/177330774.db2.gz UAQJNIJKWHYLAO-UWVGGRQHSA-N 2 1 232.318 2.104 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCCC1 ZINC000036907484 177331371 /nfs/dbraw/zinc/33/13/71/177331371.db2.gz DPAJTUCYATWMFY-NTZNESFSSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000235405883 177362043 /nfs/dbraw/zinc/36/20/43/177362043.db2.gz DAOGTQJETADWAV-MROQNXINSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCc1cccs1 ZINC000049712298 177364388 /nfs/dbraw/zinc/36/43/88/177364388.db2.gz DDKJDMUDZFHXEL-WDEREUQCSA-N 2 1 224.373 2.102 20 0 BEADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)CC[N@@H+]1C ZINC000090721542 177370995 /nfs/dbraw/zinc/37/09/95/177370995.db2.gz UXLBAUANSLMZAT-SMDDNHRTSA-N 2 1 236.334 2.398 20 0 BEADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)CC[N@H+]1C ZINC000090721542 177370996 /nfs/dbraw/zinc/37/09/96/177370996.db2.gz UXLBAUANSLMZAT-SMDDNHRTSA-N 2 1 236.334 2.398 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C/C=C/c2ccncc2)CC[N@H+]1C ZINC000487321408 225299603 /nfs/dbraw/zinc/29/96/03/225299603.db2.gz RMAGFDVJMFTMLE-PRXHZCDDSA-N 2 1 245.370 2.167 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000488443247 225398650 /nfs/dbraw/zinc/39/86/50/225398650.db2.gz GIEADNHWCORHJV-VHDGCEQUSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000488443247 225398655 /nfs/dbraw/zinc/39/86/55/225398655.db2.gz GIEADNHWCORHJV-VHDGCEQUSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1ccccc1CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400733483 226350899 /nfs/dbraw/zinc/35/08/99/226350899.db2.gz JHWQZRGEOGTWIJ-DZGCQCFKSA-N 2 1 232.371 2.268 20 0 BEADMP Cc1cccc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000400811996 226352071 /nfs/dbraw/zinc/35/20/71/226352071.db2.gz YSJXEKVUSFIBPO-DZGCQCFKSA-N 2 1 232.371 2.268 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCOC(C)(C)C)C1 ZINC000674909266 487651989 /nfs/dbraw/zinc/65/19/89/487651989.db2.gz ZNTOTKGVDOKYLP-ZDUSSCGKSA-N 2 1 242.407 2.075 20 0 BEADMP CC1(C)CCC[C@@H]1[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000232771061 487652928 /nfs/dbraw/zinc/65/29/28/487652928.db2.gz IIVRMYGTVLTNKV-NEPJUHHUSA-N 2 1 210.365 2.297 20 0 BEADMP CC[C@H](O)CCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000398503311 262762419 /nfs/dbraw/zinc/76/24/19/262762419.db2.gz KNKAPQKFSQSGDR-NILFDRSVSA-N 2 1 248.370 2.272 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378921939 487672203 /nfs/dbraw/zinc/67/22/03/487672203.db2.gz CZMQAOFYGGDZAA-MQYQWHSLSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378921939 487672208 /nfs/dbraw/zinc/67/22/08/487672208.db2.gz CZMQAOFYGGDZAA-MQYQWHSLSA-N 2 1 224.392 2.495 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000162989477 487676792 /nfs/dbraw/zinc/67/67/92/487676792.db2.gz RXFKURYNWJQPFN-VXGBXAGGSA-N 2 1 212.381 2.210 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000087792726 487686531 /nfs/dbraw/zinc/68/65/31/487686531.db2.gz YUTMPNUTEHAENN-QWHCGFSZSA-N 2 1 242.432 2.204 20 0 BEADMP CC[N@@H+](CC1CC[NH2+]CC1)C1CC(C)(C)C1 ZINC000395289908 262785948 /nfs/dbraw/zinc/78/59/48/262785948.db2.gz JPHVYNWVGURALX-UHFFFAOYSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000226330589 487713230 /nfs/dbraw/zinc/71/32/30/487713230.db2.gz ZQSKJOLMSWIVDA-RYUDHWBXSA-N 2 1 230.421 2.200 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000336712246 487719629 /nfs/dbraw/zinc/71/96/29/487719629.db2.gz UXDBETCNMITXON-WOPDTQHZSA-N 2 1 230.421 2.058 20 0 BEADMP c1ccc([C@@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000250804228 487741354 /nfs/dbraw/zinc/74/13/54/487741354.db2.gz GVPORTGQBXZZQJ-DZGCQCFKSA-N 2 1 230.355 2.085 20 0 BEADMP c1ccc2c(c1)ccnc2C[NH2+]C1CC[NH2+]CC1 ZINC000666734165 487745067 /nfs/dbraw/zinc/74/50/67/487745067.db2.gz BFPRASCMGJQIIH-UHFFFAOYSA-N 2 1 241.338 2.076 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccncc1 ZINC000675926988 487793307 /nfs/dbraw/zinc/79/33/07/487793307.db2.gz KAAQCZPAILROKT-UMVBOHGHSA-N 2 1 247.386 2.257 20 0 BEADMP C[N@@H+](CCC(C)(C)C)C[C@@H]1CCC[NH2+]C1 ZINC000234288847 487793420 /nfs/dbraw/zinc/79/34/20/487793420.db2.gz UGKUOSXWTQCFPD-GFCCVEGCSA-N 2 1 212.381 2.354 20 0 BEADMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000252126012 487816833 /nfs/dbraw/zinc/81/68/33/487816833.db2.gz KBOIENMSRJEDCI-AGIUHOORSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@]1(c2ccc(F)cc2)CC[N@@H+](CCC[NH3+])C1 ZINC000414740122 487820027 /nfs/dbraw/zinc/82/00/27/487820027.db2.gz JKZUTDHQKFBQRJ-AWEZNQCLSA-N 2 1 236.334 2.138 20 0 BEADMP C[C@]1(Cc2ccccc2)CCC[N@H+]1CCC[NH3+] ZINC000414751417 487822260 /nfs/dbraw/zinc/82/22/60/487822260.db2.gz AKUZWHAUYDJRTF-OAHLLOKOSA-N 2 1 232.371 2.432 20 0 BEADMP CCCC[C@H](CC)CC[NH2+]CC[NH2+]C ZINC000414834200 487825639 /nfs/dbraw/zinc/82/56/39/487825639.db2.gz SXAIDYTTXSTFPQ-LBPRGKRZSA-N 2 1 200.370 2.402 20 0 BEADMP CCC1CC([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000389941814 487847551 /nfs/dbraw/zinc/84/75/51/487847551.db2.gz OUWWFDBVOVSBEU-OTTFEQOBSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H](CC1CCC1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770899 487854808 /nfs/dbraw/zinc/85/48/08/487854808.db2.gz YZCHYGLAATZPPK-WCQYABFASA-N 2 1 210.365 2.297 20 0 BEADMP C[C@H](CC1CCC1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770898 487855145 /nfs/dbraw/zinc/85/51/45/487855145.db2.gz YZCHYGLAATZPPK-DGCLKSJQSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H](c1ccncc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253188691 487857750 /nfs/dbraw/zinc/85/77/50/487857750.db2.gz JYLRZAJAQQIHCS-MBNYWOFBSA-N 2 1 233.359 2.059 20 0 BEADMP CC(C)C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000334458392 487884270 /nfs/dbraw/zinc/88/42/70/487884270.db2.gz QZCCCSLVJGHSCM-AWEZNQCLSA-N 2 1 224.392 2.306 20 0 BEADMP C[C@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C(C)(C)C ZINC000670270312 487887654 /nfs/dbraw/zinc/88/76/54/487887654.db2.gz RYTABQYMGDAEMI-UPJWGTAASA-N 2 1 224.392 2.162 20 0 BEADMP C[C@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)C(C)(C)C ZINC000670270312 487887661 /nfs/dbraw/zinc/88/76/61/487887661.db2.gz RYTABQYMGDAEMI-UPJWGTAASA-N 2 1 224.392 2.162 20 0 BEADMP C[C@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)C(C)(C)C ZINC000670270312 487887665 /nfs/dbraw/zinc/88/76/65/487887665.db2.gz RYTABQYMGDAEMI-UPJWGTAASA-N 2 1 224.392 2.162 20 0 BEADMP Cc1ccc(F)c(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000666855498 487891021 /nfs/dbraw/zinc/89/10/21/487891021.db2.gz WFWYKJIRWSBKGN-CYBMUJFWSA-N 2 1 236.334 2.366 20 0 BEADMP CC(C)SCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925670429 646400181 /nfs/dbraw/zinc/40/01/81/646400181.db2.gz KKPWMLSSJHRLBL-NSHDSACASA-N 2 1 228.405 2.002 20 0 BEADMP Cc1ccc(CNC[C@@H]2C[C@H](F)C[NH2+]2)c(C)c1 ZINC000666943416 487910004 /nfs/dbraw/zinc/91/00/04/487910004.db2.gz DPYHEULJQRTNAM-KBPBESRZSA-N 2 1 236.334 2.093 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000157983398 487931994 /nfs/dbraw/zinc/93/19/94/487931994.db2.gz PZDUFOJIIZFIPY-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[C@@H](C)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000564736288 323014431 /nfs/dbraw/zinc/01/44/31/323014431.db2.gz NQRFKYRAPDDCRK-VXGBXAGGSA-N 2 1 221.348 2.398 20 0 BEADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000133407836 323018886 /nfs/dbraw/zinc/01/88/86/323018886.db2.gz PNXCHEIBBIVVKW-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccoc1 ZINC000562956093 323035020 /nfs/dbraw/zinc/03/50/20/323035020.db2.gz DCAPYTVSDIXKQE-NSHDSACASA-N 2 1 210.321 2.318 20 0 BEADMP C[C@H](C[C@H](C)[NH3+])Nc1[nH+]ccc2cc(F)ccc21 ZINC000569694062 323037207 /nfs/dbraw/zinc/03/72/07/323037207.db2.gz IJWLKUAJEDUURH-VHSXEESVSA-N 2 1 247.317 2.334 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCSC2)C[C@H]1C[NH3+] ZINC000397252918 323043101 /nfs/dbraw/zinc/04/31/01/323043101.db2.gz DHOZJYSHRXSKHC-YVECIDJPSA-N 2 1 242.432 2.045 20 0 BEADMP CC(C)[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000152473173 323046934 /nfs/dbraw/zinc/04/69/34/323046934.db2.gz CBAQYHSGINJPBW-IUODEOHRSA-N 2 1 236.403 2.495 20 0 BEADMP C([NH2+][C@@H]1CCC[C@H]2C[C@H]21)[C@H]1CC[N@H+](C2CC2)C1 ZINC000408510475 323047101 /nfs/dbraw/zinc/04/71/01/323047101.db2.gz PVMWLGVKMFPXLZ-AYRXBEOTSA-N 2 1 234.387 2.249 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(F)(F)F)C[C@H]1C[NH3+] ZINC000397358747 323048648 /nfs/dbraw/zinc/04/86/48/323048648.db2.gz FXCHDWFJEAYAJK-KXUCPTDWSA-N 2 1 238.297 2.244 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000397358751 323049010 /nfs/dbraw/zinc/04/90/10/323049010.db2.gz FXCHDWFJEAYAJK-UTLUCORTSA-N 2 1 238.297 2.244 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000570530810 323062648 /nfs/dbraw/zinc/06/26/48/323062648.db2.gz XDKBTJJOOMVBLZ-BFHYXJOUSA-N 2 1 233.359 2.360 20 0 BEADMP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000394504314 323075037 /nfs/dbraw/zinc/07/50/37/323075037.db2.gz DTMIYRKYWPGLMF-BARDWOONSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000394504314 323075038 /nfs/dbraw/zinc/07/50/38/323075038.db2.gz DTMIYRKYWPGLMF-BARDWOONSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+]C(C1CC1)C1CC1 ZINC000531699892 323111733 /nfs/dbraw/zinc/11/17/33/323111733.db2.gz RPHYJUBABSRASV-UHFFFAOYSA-N 2 1 233.359 2.360 20 0 BEADMP Cn1c[nH+]cc1CCC[N@H+](C)C(C1CC1)C1CC1 ZINC000563353579 323120266 /nfs/dbraw/zinc/12/02/66/323120266.db2.gz CZFSRKGKJTXUOQ-UHFFFAOYSA-N 2 1 247.386 2.473 20 0 BEADMP Cn1c[nH+]cc1CCC[N@@H+](C)C(C1CC1)C1CC1 ZINC000563353579 323120267 /nfs/dbraw/zinc/12/02/67/323120267.db2.gz CZFSRKGKJTXUOQ-UHFFFAOYSA-N 2 1 247.386 2.473 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000414654291 323151023 /nfs/dbraw/zinc/15/10/23/323151023.db2.gz BVYAHZHLFQFOKL-JYJNAYRXSA-N 2 1 244.382 2.474 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000414654291 323151024 /nfs/dbraw/zinc/15/10/24/323151024.db2.gz BVYAHZHLFQFOKL-JYJNAYRXSA-N 2 1 244.382 2.474 20 0 BEADMP CCc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])s1 ZINC000308534179 323175241 /nfs/dbraw/zinc/17/52/41/323175241.db2.gz LUQOKQDCUQPPMG-DTWKUNHWSA-N 2 1 212.362 2.136 20 0 BEADMP C[C@@H]([NH2+]CCc1ccc(F)cc1)[C@H]1CCC[NH2+]1 ZINC000400426706 323176354 /nfs/dbraw/zinc/17/63/54/323176354.db2.gz YYIIVCRBCOLDDS-BXUZGUMPSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@H]([NH2+]CCc1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000400426707 323176390 /nfs/dbraw/zinc/17/63/90/323176390.db2.gz YYIIVCRBCOLDDS-FZMZJTMJSA-N 2 1 236.334 2.098 20 0 BEADMP CC[C@]1(C)CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000399422494 323205989 /nfs/dbraw/zinc/20/59/89/323205989.db2.gz VKEABJNQPGHWIN-CHWSQXEVSA-N 2 1 212.381 2.482 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+]C1CC(C)(C)C1 ZINC000563898567 323207843 /nfs/dbraw/zinc/20/78/43/323207843.db2.gz IJNSAJDNQDOIKS-UHFFFAOYSA-N 2 1 233.359 2.426 20 0 BEADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCCC12CC2)C1CC1 ZINC000572379926 323613607 /nfs/dbraw/zinc/61/36/07/323613607.db2.gz ULHJCPHXDRQPOD-OLZOCXBDSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)C1 ZINC000396727504 323655514 /nfs/dbraw/zinc/65/55/14/323655514.db2.gz WXXBJANRIDGYFV-VOAKCMCISA-N 2 1 210.365 2.295 20 0 BEADMP C[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)[C@@H]1CC12CC2 ZINC000527849554 323706273 /nfs/dbraw/zinc/70/62/73/323706273.db2.gz MDKDKANAURNFSC-DRZSPHRISA-N 2 1 222.376 2.105 20 0 BEADMP Cc1cncc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)c1 ZINC000530407273 324592959 /nfs/dbraw/zinc/59/29/59/324592959.db2.gz KCPVRDZHZXFLOB-GFCCVEGCSA-N 2 1 244.342 2.017 20 0 BEADMP CO[C@@H](C)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000542923920 325063805 /nfs/dbraw/zinc/06/38/05/325063805.db2.gz MTXBRWPBBRMWLP-ZDUSSCGKSA-N 2 1 242.407 2.074 20 0 BEADMP CC(C)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860864 325317933 /nfs/dbraw/zinc/31/79/33/325317933.db2.gz FGQQGMNLEXDXDA-ZDUSSCGKSA-N 2 1 212.381 2.449 20 0 BEADMP CC(C)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860864 325317936 /nfs/dbraw/zinc/31/79/36/325317936.db2.gz FGQQGMNLEXDXDA-ZDUSSCGKSA-N 2 1 212.381 2.449 20 0 BEADMP CC(C)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860864 325317939 /nfs/dbraw/zinc/31/79/39/325317939.db2.gz FGQQGMNLEXDXDA-ZDUSSCGKSA-N 2 1 212.381 2.449 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C(C)(C)C ZINC000133321653 325286583 /nfs/dbraw/zinc/28/65/83/325286583.db2.gz UFNNQNMKVZLSJX-NEPJUHHUSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+]1CC[C@H]1CCCC[NH+]1C ZINC000547769858 325394946 /nfs/dbraw/zinc/39/49/46/325394946.db2.gz UQGAMNQTQFQKPM-FRRDWIJNSA-N 2 1 210.365 2.344 20 0 BEADMP C[C@@H]1C[C@H](C)[NH+]1CC[C@H]1CCCC[N@@H+]1C ZINC000547769858 325394948 /nfs/dbraw/zinc/39/49/48/325394948.db2.gz UQGAMNQTQFQKPM-FRRDWIJNSA-N 2 1 210.365 2.344 20 0 BEADMP C[C@@H]1C[C@H](C)[NH+]1CC[C@H]1CCCC[N@H+]1C ZINC000547769858 325394949 /nfs/dbraw/zinc/39/49/49/325394949.db2.gz UQGAMNQTQFQKPM-FRRDWIJNSA-N 2 1 210.365 2.344 20 0 BEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000566009785 325983984 /nfs/dbraw/zinc/98/39/84/325983984.db2.gz LPCWZMVINIWHGU-XUXIUFHCSA-N 3 1 241.423 2.013 20 0 BEADMP Cc1cccc2c1cc[nH+]c2NCC[C@@H](C)[NH3+] ZINC000566235821 326020286 /nfs/dbraw/zinc/02/02/86/326020286.db2.gz WVZVBAAGEDEHBH-LLVKDONJSA-N 2 1 229.327 2.114 20 0 BEADMP CCC(C)(C)[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000566779529 326082060 /nfs/dbraw/zinc/08/20/60/326082060.db2.gz DHPHPUYYTFGXRF-NSHDSACASA-N 2 1 223.364 2.377 20 0 BEADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cncs1 ZINC000567226726 326145691 /nfs/dbraw/zinc/14/56/91/326145691.db2.gz RPJCAHOKFFGULD-JTQLQIEISA-N 2 1 227.377 2.182 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](F)C2)CC[N@@H+]1C ZINC000567352305 326172037 /nfs/dbraw/zinc/17/20/37/326172037.db2.gz ZQCWLJFNFXIHRT-FDYHWXHSSA-N 2 1 228.355 2.339 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](F)C2)CC[N@H+]1C ZINC000567352305 326172039 /nfs/dbraw/zinc/17/20/39/326172039.db2.gz ZQCWLJFNFXIHRT-FDYHWXHSSA-N 2 1 228.355 2.339 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000309987666 326178084 /nfs/dbraw/zinc/17/80/84/326178084.db2.gz ZEXSSEKPTANXGG-MRVWCRGKSA-N 2 1 222.376 2.106 20 0 BEADMP C[NH+](CCC[N@H+](C)CC1CC1)CC1CC1 ZINC000157599612 326285697 /nfs/dbraw/zinc/28/56/97/326285697.db2.gz JIOGAWPYAGYGII-UHFFFAOYSA-N 2 1 210.365 2.060 20 0 BEADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cn1 ZINC000158082447 326307758 /nfs/dbraw/zinc/30/77/58/326307758.db2.gz VQLKABYSSQKQBA-OAHLLOKOSA-N 2 1 247.386 2.210 20 0 BEADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000158082447 326307759 /nfs/dbraw/zinc/30/77/59/326307759.db2.gz VQLKABYSSQKQBA-OAHLLOKOSA-N 2 1 247.386 2.210 20 0 BEADMP CCc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000568630903 326369394 /nfs/dbraw/zinc/36/93/94/326369394.db2.gz VEBMTIHIBBOZCR-HNNXBMFYSA-N 2 1 232.371 2.420 20 0 BEADMP Cn1ccnc1[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC000569235843 326396907 /nfs/dbraw/zinc/39/69/07/326396907.db2.gz ZWEPABXFLNUYBA-LBPRGKRZSA-N 2 1 219.332 2.010 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C(C)C)C2CC2)CC1 ZINC000159320274 326397377 /nfs/dbraw/zinc/39/73/77/326397377.db2.gz KQGOKGRQWJXFCJ-AWEZNQCLSA-N 2 1 224.392 2.495 20 0 BEADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)CO2 ZINC000573082367 326428477 /nfs/dbraw/zinc/42/84/77/326428477.db2.gz VZKMWNKJRWYVDO-MBNYWOFBSA-N 2 1 246.354 2.016 20 0 BEADMP C[C@H](Cc1ccsc1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000235481878 487972394 /nfs/dbraw/zinc/97/23/94/487972394.db2.gz TVEAZFYCWFVUOJ-DGCLKSJQSA-N 2 1 238.400 2.411 20 0 BEADMP C[C@@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)C(C)(C)C ZINC000396621085 487990188 /nfs/dbraw/zinc/99/01/88/487990188.db2.gz HPUUWYLRGHGVOF-SRVKXCTJSA-N 2 1 212.381 2.399 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000488336108 533713704 /nfs/dbraw/zinc/71/37/04/533713704.db2.gz SYXMAGKAVCJLJL-MGPQQGTHSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000488336108 533713708 /nfs/dbraw/zinc/71/37/08/533713708.db2.gz SYXMAGKAVCJLJL-MGPQQGTHSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000488336108 533713716 /nfs/dbraw/zinc/71/37/16/533713716.db2.gz SYXMAGKAVCJLJL-MGPQQGTHSA-N 2 1 224.392 2.449 20 0 BEADMP CCCC[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667472261 488016658 /nfs/dbraw/zinc/01/66/58/488016658.db2.gz AIQRSRAYMPTVKK-UHFFFAOYSA-N 2 1 244.342 2.499 20 0 BEADMP CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CC1 ZINC000667501280 488031931 /nfs/dbraw/zinc/03/19/31/488031931.db2.gz SWAMPCFQKKBJCH-UHFFFAOYSA-N 2 1 242.326 2.252 20 0 BEADMP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)CC1CC1 ZINC000667534248 488040478 /nfs/dbraw/zinc/04/04/78/488040478.db2.gz RQKDTKNIKYNECI-UHFFFAOYSA-N 2 1 242.326 2.109 20 0 BEADMP CC[C@@H]1CCC[N@H+]1Cc1cnc(C)n1C ZINC000667544388 488041277 /nfs/dbraw/zinc/04/12/77/488041277.db2.gz FTSZUUMRMPONQD-LLVKDONJSA-N 2 1 207.321 2.103 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2C[C@]2(F)c2ccccc2)C1 ZINC000656200614 488066650 /nfs/dbraw/zinc/06/66/50/488066650.db2.gz SEJZOUDRJNPVRO-QPSCCSFWSA-N 2 1 248.345 2.483 20 0 BEADMP CC1(C)CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000083680579 488071384 /nfs/dbraw/zinc/07/13/84/488071384.db2.gz JLAKXLNUTQUAGH-CYBMUJFWSA-N 2 1 224.392 2.498 20 0 BEADMP Cc1ncc(C[N@H+]2C[C@@H](C)CC[C@@H]2C)n1C ZINC000667650365 488073321 /nfs/dbraw/zinc/07/33/21/488073321.db2.gz VRLAMHKETDPMAM-QWRGUYRKSA-N 2 1 221.348 2.349 20 0 BEADMP c1csc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000257699610 488082624 /nfs/dbraw/zinc/08/26/24/488082624.db2.gz PSFVQROPKBHESG-CYBMUJFWSA-N 2 1 236.384 2.324 20 0 BEADMP CC(C)C[N@@H+](CCC[NH3+])CC(C)(C)C ZINC000414711330 488082765 /nfs/dbraw/zinc/08/27/65/488082765.db2.gz SGXWQMQOZSYUGB-UHFFFAOYSA-N 2 1 200.370 2.339 20 0 BEADMP CC(C)[C@H]1CC[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000667696576 488090694 /nfs/dbraw/zinc/09/06/94/488090694.db2.gz AOGXQBQDPSBWAL-LBPRGKRZSA-N 2 1 233.359 2.307 20 0 BEADMP CCn1ccc(C[N@H+](C)CC[C@@H]2CCC[NH+]2C)c1 ZINC000683029056 488100265 /nfs/dbraw/zinc/10/02/65/488100265.db2.gz IUEAPGZKWCDBKO-HNNXBMFYSA-N 2 1 249.402 2.424 20 0 BEADMP CCn1ccc(C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)c1 ZINC000683029056 488100270 /nfs/dbraw/zinc/10/02/70/488100270.db2.gz IUEAPGZKWCDBKO-HNNXBMFYSA-N 2 1 249.402 2.424 20 0 BEADMP CCn1ccc(C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC000683029056 488100273 /nfs/dbraw/zinc/10/02/73/488100273.db2.gz IUEAPGZKWCDBKO-HNNXBMFYSA-N 2 1 249.402 2.424 20 0 BEADMP CCn1ccc(C[NH+](C)CC[C@@H]2CCC[N@H+]2C)c1 ZINC000683029056 488100279 /nfs/dbraw/zinc/10/02/79/488100279.db2.gz IUEAPGZKWCDBKO-HNNXBMFYSA-N 2 1 249.402 2.424 20 0 BEADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000225983648 488105156 /nfs/dbraw/zinc/10/51/56/488105156.db2.gz VREHMDIWTGXLNE-IHRRRGAJSA-N 2 1 222.376 2.251 20 0 BEADMP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CC[N@H+](C2CC2)C1 ZINC000378890530 488110207 /nfs/dbraw/zinc/11/02/07/488110207.db2.gz PVMWLGVKMFPXLZ-RJZRQDKASA-N 2 1 234.387 2.249 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403637628 488131262 /nfs/dbraw/zinc/13/12/62/488131262.db2.gz OQKDMFNBXQTYKB-XPABHHOTSA-N 2 1 236.403 2.482 20 0 BEADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000086726794 487538377 /nfs/dbraw/zinc/53/83/77/487538377.db2.gz DGOOAVCVCZHRHL-MFKMUULPSA-N 2 1 238.762 2.223 20 0 BEADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000086726789 487538297 /nfs/dbraw/zinc/53/82/97/487538297.db2.gz DGOOAVCVCZHRHL-ZWNOBZJWSA-N 2 1 238.762 2.223 20 0 BEADMP CC(C)(C)CC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000381556648 487539948 /nfs/dbraw/zinc/53/99/48/487539948.db2.gz OZDAVDZLORCZIK-JSGCOSHPSA-N 2 1 224.392 2.483 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+]CC(C)(C)c1ccccc1 ZINC000162167204 487541417 /nfs/dbraw/zinc/54/14/17/487541417.db2.gz MCCXVFKPZXJAQI-GFCCVEGCSA-N 2 1 220.360 2.162 20 0 BEADMP C[N@@H+](CCC[NH3+])C[C@H]1CCCCC1(C)C ZINC000382065918 487529943 /nfs/dbraw/zinc/52/99/43/487529943.db2.gz QCMMLPJBFODWQS-GFCCVEGCSA-N 2 1 212.381 2.483 20 0 BEADMP c1cc2cnccc2c(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000168114042 487482835 /nfs/dbraw/zinc/48/28/35/487482835.db2.gz OYJYFNZJKQWUSC-UHFFFAOYSA-N 2 1 241.338 2.030 20 0 BEADMP c1cc2cnccc2c(C[N@H+]2CCC[NH2+]CC2)c1 ZINC000168114042 487482837 /nfs/dbraw/zinc/48/28/37/487482837.db2.gz OYJYFNZJKQWUSC-UHFFFAOYSA-N 2 1 241.338 2.030 20 0 BEADMP CC[NH2+]CC[NH2+]CC(C)(C)c1ccccc1 ZINC000161321730 487491168 /nfs/dbraw/zinc/49/11/68/487491168.db2.gz KYTFTRNXOXEHIM-UHFFFAOYSA-N 2 1 220.360 2.163 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000405986319 487495539 /nfs/dbraw/zinc/49/55/39/487495539.db2.gz CFSYSZQOHFTZDA-NEPJUHHUSA-N 2 1 224.392 2.482 20 0 BEADMP C[N@@H+](CCC[NH3+])CCSc1ccc(F)cc1 ZINC000227747373 487512615 /nfs/dbraw/zinc/51/26/15/487512615.db2.gz OEYCHKHJRDZNGW-UHFFFAOYSA-N 2 1 242.363 2.198 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304506335 487508602 /nfs/dbraw/zinc/50/86/02/487508602.db2.gz CZMQAOFYGGDZAA-XJFOESAGSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304506335 487508608 /nfs/dbraw/zinc/50/86/08/487508608.db2.gz CZMQAOFYGGDZAA-XJFOESAGSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304506304 487508756 /nfs/dbraw/zinc/50/87/56/487508756.db2.gz CZMQAOFYGGDZAA-IGQOVBAYSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304506304 487508759 /nfs/dbraw/zinc/50/87/59/487508759.db2.gz CZMQAOFYGGDZAA-IGQOVBAYSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000304506317 487508780 /nfs/dbraw/zinc/50/87/80/487508780.db2.gz CZMQAOFYGGDZAA-RFQIPJPRSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000304506317 487508787 /nfs/dbraw/zinc/50/87/87/487508787.db2.gz CZMQAOFYGGDZAA-RFQIPJPRSA-N 2 1 224.392 2.495 20 0 BEADMP C(CC1CCC1)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000662274478 487522789 /nfs/dbraw/zinc/52/27/89/487522789.db2.gz UPXDSNJUUCTVHL-KGLIPLIRSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@]1(C[NH3+])CC[N@@H+](CCCC2CCC2)C1 ZINC000662274039 487522856 /nfs/dbraw/zinc/52/28/56/487522856.db2.gz SMCXRVCAQXRUKN-CYBMUJFWSA-N 2 1 210.365 2.237 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)CCCOC ZINC000309948688 487731358 /nfs/dbraw/zinc/73/13/58/487731358.db2.gz FGAVVJYIYGBGKQ-QWHCGFSZSA-N 2 1 230.396 2.121 20 0 BEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccsc1)C2 ZINC000390261171 488145210 /nfs/dbraw/zinc/14/52/10/488145210.db2.gz NVDVFULYYBQXBH-STQMWFEESA-N 2 1 236.384 2.309 20 0 BEADMP C[NH+](C)CCC[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000683367869 488153900 /nfs/dbraw/zinc/15/39/00/488153900.db2.gz IGETWMLWDFUOMS-UHFFFAOYSA-N 2 1 248.370 2.005 20 0 BEADMP Cc1ccccc1C[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000435383467 488170640 /nfs/dbraw/zinc/17/06/40/488170640.db2.gz GXNDHYWERKRBHJ-ZDUSSCGKSA-N 2 1 220.360 2.207 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](C(F)F)C1 ZINC000678083525 488193881 /nfs/dbraw/zinc/19/38/81/488193881.db2.gz KHYQTPMZQLJZIG-QWRGUYRKSA-N 2 1 232.318 2.058 20 0 BEADMP C[C@@H](CC[N@H+]1CC=CCC1)[NH+]1CC=CCC1 ZINC000679322908 488336741 /nfs/dbraw/zinc/33/67/41/488336741.db2.gz GBSFDHJXCAESOV-AWEZNQCLSA-N 2 1 220.360 2.289 20 0 BEADMP C[C@@H](CC[N@@H+]1CC=CCC1)[NH+]1CC=CCC1 ZINC000679322908 488336743 /nfs/dbraw/zinc/33/67/43/488336743.db2.gz GBSFDHJXCAESOV-AWEZNQCLSA-N 2 1 220.360 2.289 20 0 BEADMP C[C@@H](CC[NH+]1CC=CCC1)[N@H+]1CC=CCC1 ZINC000679322908 488336745 /nfs/dbraw/zinc/33/67/45/488336745.db2.gz GBSFDHJXCAESOV-AWEZNQCLSA-N 2 1 220.360 2.289 20 0 BEADMP C[C@@H](CC[NH+]1CC=CCC1)[N@@H+]1CC=CCC1 ZINC000679322908 488336747 /nfs/dbraw/zinc/33/67/47/488336747.db2.gz GBSFDHJXCAESOV-AWEZNQCLSA-N 2 1 220.360 2.289 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC(F)(F)C2)[C@H](C)C1 ZINC000679073690 488304483 /nfs/dbraw/zinc/30/44/83/488304483.db2.gz NFROUMNEVSRKOK-UTUOFQBUSA-N 2 1 246.345 2.494 20 0 BEADMP CCC1([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCOCC1 ZINC000679152026 488313651 /nfs/dbraw/zinc/31/36/51/488313651.db2.gz XPBSZAUGHZZREQ-STQMWFEESA-N 2 1 240.391 2.018 20 0 BEADMP CCC1([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCOCC1 ZINC000679152026 488313652 /nfs/dbraw/zinc/31/36/52/488313652.db2.gz XPBSZAUGHZZREQ-STQMWFEESA-N 2 1 240.391 2.018 20 0 BEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC=CCC1 ZINC000679323816 488337788 /nfs/dbraw/zinc/33/77/88/488337788.db2.gz LWLGGUUAECEBGR-CYBMUJFWSA-N 2 1 208.349 2.123 20 0 BEADMP CC(C[NH+]1CC=CCC1)C[N@@H+]1CC=CCC1 ZINC000679323945 488337846 /nfs/dbraw/zinc/33/78/46/488337846.db2.gz WCRVJZQTPJZWCF-UHFFFAOYSA-N 2 1 220.360 2.146 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+](C/C=C\c2ccccc2)C1 ZINC000214449357 490113165 /nfs/dbraw/zinc/11/31/65/490113165.db2.gz PNVHGPMKHOVKRV-KKTNHOPESA-N 2 1 230.355 2.241 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000214449357 490113174 /nfs/dbraw/zinc/11/31/74/490113174.db2.gz PNVHGPMKHOVKRV-KKTNHOPESA-N 2 1 230.355 2.241 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000070327445 490209571 /nfs/dbraw/zinc/20/95/71/490209571.db2.gz ZSJBUSSRKGAOTF-IHRRRGAJSA-N 2 1 242.407 2.264 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000070327440 490209821 /nfs/dbraw/zinc/20/98/21/490209821.db2.gz ZSJBUSSRKGAOTF-MJBXVCDLSA-N 2 1 242.407 2.264 20 0 BEADMP C(=C\c1ccccc1)\C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000311205958 490278193 /nfs/dbraw/zinc/27/81/93/490278193.db2.gz JJNPIWZTIPLCKW-ATEGUMQPSA-N 2 1 242.366 2.241 20 0 BEADMP C(=C\c1ccccc1)\C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000311205958 490278198 /nfs/dbraw/zinc/27/81/98/490278198.db2.gz JJNPIWZTIPLCKW-ATEGUMQPSA-N 2 1 242.366 2.241 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)C1 ZINC000558621437 490282213 /nfs/dbraw/zinc/28/22/13/490282213.db2.gz MWRCRLXLBNEOAH-LXTVHRRPSA-N 2 1 236.403 2.497 20 0 BEADMP C[N@H+](Cc1ccc(O)cc1)CC1CC[NH+](C)CC1 ZINC000131442393 490640076 /nfs/dbraw/zinc/64/00/76/490640076.db2.gz GYUYBTUIIWVRFQ-UHFFFAOYSA-N 2 1 248.370 2.166 20 0 BEADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000662275367 491085697 /nfs/dbraw/zinc/08/56/97/491085697.db2.gz BIORHJFHZDXEDQ-LJIZCISZSA-N 2 1 248.414 2.497 20 0 BEADMP Cc1ncc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)s1 ZINC000090406294 491126058 /nfs/dbraw/zinc/12/60/58/491126058.db2.gz HCWIAQYEYVVXDS-UWVGGRQHSA-N 2 1 241.404 2.442 20 0 BEADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCCc2cccnc21 ZINC000091661373 491131327 /nfs/dbraw/zinc/13/13/27/491131327.db2.gz NXTTUVKXLPTAPV-OCCSQVGLSA-N 2 1 247.386 2.389 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000309418759 491148959 /nfs/dbraw/zinc/14/89/59/491148959.db2.gz ACZVONPBKQUERC-MRVWCRGKSA-N 2 1 224.392 2.495 20 0 BEADMP CSC[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000400115082 533749376 /nfs/dbraw/zinc/74/93/76/533749376.db2.gz JDWCSERQAQQCNM-AGIUHOORSA-N 2 1 242.432 2.202 20 0 BEADMP CC[C@@H](C)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000086439148 535512487 /nfs/dbraw/zinc/51/24/87/535512487.db2.gz KHIXURKDGLDEJI-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H]([NH2+]CCc1ccccc1F)[C@H]1CCC[NH2+]1 ZINC000400386364 533874344 /nfs/dbraw/zinc/87/43/44/533874344.db2.gz LYCDCYQGFYKZHN-SMDDNHRTSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000400480245 533881572 /nfs/dbraw/zinc/88/15/72/533881572.db2.gz VYKSHUMMMFJIRX-DCAQKATOSA-N 2 1 232.318 2.152 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000400480244 533904380 /nfs/dbraw/zinc/90/43/80/533904380.db2.gz VYKSHUMMMFJIRX-AXFHLTTASA-N 2 1 232.318 2.152 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCCO1 ZINC000181741730 535935912 /nfs/dbraw/zinc/93/59/12/535935912.db2.gz RGGMWZABEGYHFN-YIYPIFLZSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCCO1 ZINC000181741730 535935918 /nfs/dbraw/zinc/93/59/18/535935918.db2.gz RGGMWZABEGYHFN-YIYPIFLZSA-N 2 1 240.391 2.016 20 0 BEADMP C[N@@H+](CCC(C)(C)C)CC(C)(C)C[NH3+] ZINC000086637599 536314422 /nfs/dbraw/zinc/31/44/22/536314422.db2.gz PGOGFPHTJWIEFY-UHFFFAOYSA-N 2 1 200.370 2.339 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCSC2)C1 ZINC000494960058 527836608 /nfs/dbraw/zinc/83/66/08/527836608.db2.gz XPQLSXMEVCJQLA-CHWSQXEVSA-N 2 1 242.432 2.013 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCSC2)C1 ZINC000494960058 527836609 /nfs/dbraw/zinc/83/66/09/527836609.db2.gz XPQLSXMEVCJQLA-CHWSQXEVSA-N 2 1 242.432 2.013 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000494960058 527836612 /nfs/dbraw/zinc/83/66/12/527836612.db2.gz XPQLSXMEVCJQLA-CHWSQXEVSA-N 2 1 242.432 2.013 20 0 BEADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2C[C@H]2C)CC1 ZINC000488314550 528195084 /nfs/dbraw/zinc/19/50/84/528195084.db2.gz OJEKVDUNRGUADH-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CSCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400432975 528227233 /nfs/dbraw/zinc/22/72/33/528227233.db2.gz LSZKNVDHCUVMOO-NEPJUHHUSA-N 2 1 230.421 2.106 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCO[C@H](C)C1 ZINC000513105927 528236773 /nfs/dbraw/zinc/23/67/73/528236773.db2.gz DXAMGRZRLDYHGQ-RDBSUJKOSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCO[C@H](C)C1 ZINC000513105927 528236776 /nfs/dbraw/zinc/23/67/76/528236776.db2.gz DXAMGRZRLDYHGQ-RDBSUJKOSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000513105925 528237163 /nfs/dbraw/zinc/23/71/63/528237163.db2.gz DXAMGRZRLDYHGQ-MCIONIFRSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000513105925 528237167 /nfs/dbraw/zinc/23/71/67/528237167.db2.gz DXAMGRZRLDYHGQ-MCIONIFRSA-N 2 1 240.391 2.018 20 0 BEADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2C[C@@H]2C)CC1 ZINC000488352571 528972302 /nfs/dbraw/zinc/97/23/02/528972302.db2.gz OMOWHIYRHSLJOI-RYUDHWBXSA-N 2 1 210.365 2.059 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2C[C@@H]2C)CC1 ZINC000488352571 528972306 /nfs/dbraw/zinc/97/23/06/528972306.db2.gz OMOWHIYRHSLJOI-RYUDHWBXSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261629655 535141052 /nfs/dbraw/zinc/14/10/52/535141052.db2.gz DUIXZRPXWBRNMR-CABCVRRESA-N 2 1 232.371 2.317 20 0 BEADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000252731049 535296495 /nfs/dbraw/zinc/29/64/95/535296495.db2.gz OAQAORWHXKEUOQ-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCCF)C1 ZINC000352005088 535584447 /nfs/dbraw/zinc/58/44/47/535584447.db2.gz QGWNKAUGUAJTIW-ZDUSSCGKSA-N 2 1 230.371 2.400 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000070762356 535590166 /nfs/dbraw/zinc/59/01/66/535590166.db2.gz UKNNFNSXEOVPDB-RWMBFGLXSA-N 2 1 212.381 2.495 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000227202111 535590830 /nfs/dbraw/zinc/59/08/30/535590830.db2.gz UKNNFNSXEOVPDB-FRRDWIJNSA-N 2 1 212.381 2.495 20 0 BEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCCF)C1 ZINC000352005087 535597692 /nfs/dbraw/zinc/59/76/92/535597692.db2.gz QGWNKAUGUAJTIW-CYBMUJFWSA-N 2 1 230.371 2.400 20 0 BEADMP CCC[C@H](C)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000051919029 535630071 /nfs/dbraw/zinc/63/00/71/535630071.db2.gz PYEUMORPPLPSMQ-STQMWFEESA-N 2 1 212.381 2.497 20 0 BEADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@@H](C)C1CCC1 ZINC000177794834 535650736 /nfs/dbraw/zinc/65/07/36/535650736.db2.gz RNYQCXVJJWWMRX-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCCC2)[C@@H](C)C1 ZINC000222681915 535768390 /nfs/dbraw/zinc/76/83/90/535768390.db2.gz BZYHWXRVAGGKKO-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261536478 535820529 /nfs/dbraw/zinc/82/05/29/535820529.db2.gz RWNYEXCVPFQXRV-FRRDWIJNSA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CCO1 ZINC000251451823 535901572 /nfs/dbraw/zinc/90/15/72/535901572.db2.gz ACOZWPOTZYBXTO-XJFOESAGSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCO1 ZINC000251451823 535901577 /nfs/dbraw/zinc/90/15/77/535901577.db2.gz ACOZWPOTZYBXTO-XJFOESAGSA-N 2 1 240.391 2.016 20 0 BEADMP CCc1ccccc1C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261533337 535936843 /nfs/dbraw/zinc/93/68/43/535936843.db2.gz GSTXXYZVEPBRLU-SMDDNHRTSA-N 2 1 218.344 2.028 20 0 BEADMP CCc1ccccc1C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261533337 535936848 /nfs/dbraw/zinc/93/68/48/535936848.db2.gz GSTXXYZVEPBRLU-SMDDNHRTSA-N 2 1 218.344 2.028 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CC1 ZINC000225280172 535937281 /nfs/dbraw/zinc/93/72/81/535937281.db2.gz XEEOEKZVZYWSKH-MJBXVCDLSA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CC1 ZINC000225280172 535937286 /nfs/dbraw/zinc/93/72/86/535937286.db2.gz XEEOEKZVZYWSKH-MJBXVCDLSA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)C1CC1 ZINC000225280242 535947372 /nfs/dbraw/zinc/94/73/72/535947372.db2.gz XEEOEKZVZYWSKH-IHRRRGAJSA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CC1 ZINC000225280242 535947370 /nfs/dbraw/zinc/94/73/70/535947370.db2.gz XEEOEKZVZYWSKH-IHRRRGAJSA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@@]1(C)CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261557554 536048499 /nfs/dbraw/zinc/04/84/99/536048499.db2.gz XKGPJDLZNUOWIV-STQMWFEESA-N 2 1 210.365 2.108 20 0 BEADMP CCc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261587434 536179722 /nfs/dbraw/zinc/17/97/22/536179722.db2.gz VBPDECJCQVLOEJ-XHSDSOJGSA-N 2 1 244.382 2.418 20 0 BEADMP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224189907 536593271 /nfs/dbraw/zinc/59/32/71/536593271.db2.gz FILYVAHYYKAPHM-RFQIPJPRSA-N 2 1 240.391 2.016 20 0 BEADMP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224189907 536593277 /nfs/dbraw/zinc/59/32/77/536593277.db2.gz FILYVAHYYKAPHM-RFQIPJPRSA-N 2 1 240.391 2.016 20 0 BEADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)ccc1C ZINC000261782251 536757166 /nfs/dbraw/zinc/75/71/66/536757166.db2.gz FOQOHDMNSYFFBO-CQSZACIVSA-N 2 1 248.370 2.174 20 0 BEADMP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1C ZINC000262016358 536769813 /nfs/dbraw/zinc/76/98/13/536769813.db2.gz VSZYROQXOODIGO-JSGCOSHPSA-N 2 1 248.370 2.173 20 0 BEADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000222075266 536897968 /nfs/dbraw/zinc/89/79/68/536897968.db2.gz DXMIZAQHJGFTMO-SWLSCSKDSA-N 2 1 248.370 2.125 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C[NH3+] ZINC000145838489 537824614 /nfs/dbraw/zinc/82/46/14/537824614.db2.gz WMERLLDQCPOUQM-OCCSQVGLSA-N 2 1 218.344 2.103 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)C2CC2)[C@H](C)C1 ZINC000166993463 538060437 /nfs/dbraw/zinc/06/04/37/538060437.db2.gz BFKMJMZKCAWKPO-BZPMIXESSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H](CC[N@H+]1CC[C@@H](C)C1)[NH+]1CC[C@H](C)C1 ZINC000431606917 566365974 /nfs/dbraw/zinc/36/59/74/566365974.db2.gz VQTQYAIBAKWKHT-RDBSUJKOSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H](CC[NH+]1CC[C@@H](C)C1)[N@@H+]1CC[C@H](C)C1 ZINC000431606917 566365982 /nfs/dbraw/zinc/36/59/82/566365982.db2.gz VQTQYAIBAKWKHT-RDBSUJKOSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H](CC[NH+]1CC[C@@H](C)C1)[N@H+]1CC[C@H](C)C1 ZINC000431606917 566365990 /nfs/dbraw/zinc/36/59/90/566365990.db2.gz VQTQYAIBAKWKHT-RDBSUJKOSA-N 2 1 224.392 2.449 20 0 BEADMP CCCSC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000892946693 583015555 /nfs/dbraw/zinc/01/55/55/583015555.db2.gz KTVTYQGNBKVFRE-CHWSQXEVSA-N 2 1 244.448 2.450 20 0 BEADMP Cc1cc([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1N ZINC000853248048 588728884 /nfs/dbraw/zinc/72/88/84/588728884.db2.gz KOYQUZYHEQIOCA-MBNYWOFBSA-N 2 1 245.370 2.377 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000853249609 588729183 /nfs/dbraw/zinc/72/91/83/588729183.db2.gz RWEYZLHRIJVTCT-IDKOKCKLSA-N 2 1 238.297 2.305 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](c3ccco3)C2)CC1 ZINC000892019618 582762637 /nfs/dbraw/zinc/76/26/37/582762637.db2.gz NDJGDDNIXUNGAZ-CQSZACIVSA-N 2 1 248.370 2.411 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CCC(C)(C)C2)CC1 ZINC000892022452 582763480 /nfs/dbraw/zinc/76/34/80/582763480.db2.gz YTPDWMWGMXEGLS-UHFFFAOYSA-N 2 1 210.365 2.060 20 0 BEADMP C[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C[C@H]1C ZINC000892066935 582782772 /nfs/dbraw/zinc/78/27/72/582782772.db2.gz ZRLYIJGNCUPQJM-QWHCGFSZSA-N 2 1 224.392 2.306 20 0 BEADMP C[C@@H]1CC[C@H](C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000892069316 582784414 /nfs/dbraw/zinc/78/44/14/582784414.db2.gz HWQYRMNCUJPWDC-QWHCGFSZSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC1CC[NH+](C)CC1 ZINC000892224572 582810300 /nfs/dbraw/zinc/81/03/00/582810300.db2.gz XSPSXUNVTSYELF-TXEJJXNPSA-N 2 1 210.365 2.201 20 0 BEADMP CCCSC[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000892455274 582890740 /nfs/dbraw/zinc/89/07/40/582890740.db2.gz XNMVOPWSQOUYOS-LLVKDONJSA-N 2 1 230.421 2.202 20 0 BEADMP CCCCCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000857086985 588886789 /nfs/dbraw/zinc/88/67/89/588886789.db2.gz OZSAIIDWCOHLON-OLZOCXBDSA-N 2 1 210.365 2.380 20 0 BEADMP CC[N@@H+](CC1CCC1)CC1CC[NH+](C)CC1 ZINC000894175687 583326935 /nfs/dbraw/zinc/32/69/35/583326935.db2.gz DQBPDRJJVYPGEB-UHFFFAOYSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH+]1CCC(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)CC1 ZINC000894735100 583514103 /nfs/dbraw/zinc/51/41/03/583514103.db2.gz GJHKNPOCVHWLLA-CVEARBPZSA-N 2 1 248.414 2.449 20 0 BEADMP COc1ccsc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895297748 583640301 /nfs/dbraw/zinc/64/03/01/583640301.db2.gz NUDDTAFJKUYABY-SNVBAGLBSA-N 2 1 242.388 2.187 20 0 BEADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(O)cc2)CC1(C)C ZINC000858121174 588933823 /nfs/dbraw/zinc/93/38/23/588933823.db2.gz XGKPWAJDXCWSSJ-CYBMUJFWSA-N 2 1 248.370 2.355 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(O)cc2)CC1(C)C ZINC000858121174 588933824 /nfs/dbraw/zinc/93/38/24/588933824.db2.gz XGKPWAJDXCWSSJ-CYBMUJFWSA-N 2 1 248.370 2.355 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2CCSC(C)(C)C2)CC1 ZINC000897797304 584049280 /nfs/dbraw/zinc/04/92/80/584049280.db2.gz FNMVNYLXZKQZLT-LBPRGKRZSA-N 2 1 242.432 2.344 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H]32)CC[N@@H+]1C ZINC000897959703 584067502 /nfs/dbraw/zinc/06/75/02/584067502.db2.gz WLRJIFWLOJFNOM-XGFWRYKXSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H]32)CC[N@H+]1C ZINC000897959703 584067504 /nfs/dbraw/zinc/06/75/04/584067504.db2.gz WLRJIFWLOJFNOM-XGFWRYKXSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H](Cc1cccnc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000897966976 584069526 /nfs/dbraw/zinc/06/95/26/584069526.db2.gz IOAPUUDUYMOPGY-IPYPFGDCSA-N 2 1 247.386 2.085 20 0 BEADMP C[C@H](Cc1cccnc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000897966976 584069527 /nfs/dbraw/zinc/06/95/27/584069527.db2.gz IOAPUUDUYMOPGY-IPYPFGDCSA-N 2 1 247.386 2.085 20 0 BEADMP Cc1ncccc1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000898251637 584100528 /nfs/dbraw/zinc/10/05/28/584100528.db2.gz GPYPNBCTTCQVPS-DOMZBBRYSA-N 2 1 247.386 2.005 20 0 BEADMP C[C@@H](C[NH3+])[NH2+]Cc1ccccc1C1CC1 ZINC000841063800 584127049 /nfs/dbraw/zinc/12/70/49/584127049.db2.gz PKCWEKWXGWOIJV-JTQLQIEISA-N 2 1 204.317 2.001 20 0 BEADMP [NH3+]C1(C[NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000902406159 584573866 /nfs/dbraw/zinc/57/38/66/584573866.db2.gz MDVQFCLUJPRHAQ-ZDUSSCGKSA-N 2 1 231.343 2.004 20 0 BEADMP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])CC2)c(C)c1 ZINC000902408614 584575320 /nfs/dbraw/zinc/57/53/20/584575320.db2.gz ZMXOWDTVHQBAGP-LLVKDONJSA-N 2 1 234.343 2.146 20 0 BEADMP Cc1cc([C@@H](C)[NH2+]CC2([NH3+])CC2)cs1 ZINC000902408521 584575597 /nfs/dbraw/zinc/57/55/97/584575597.db2.gz YRHDXYZWUYMFQD-SECBINFHSA-N 2 1 210.346 2.198 20 0 BEADMP Cc1cc([C@H](C)[NH2+]CC2([NH3+])CC2)cs1 ZINC000902408522 584575609 /nfs/dbraw/zinc/57/56/09/584575609.db2.gz YRHDXYZWUYMFQD-VIFPVBQESA-N 2 1 210.346 2.198 20 0 BEADMP C[C@H]([NH2+]CC1([NH3+])CC1)c1cc2c(s1)CCC2 ZINC000902412458 584576448 /nfs/dbraw/zinc/57/64/48/584576448.db2.gz AGSRZJYMAQRPJO-VIFPVBQESA-N 2 1 236.384 2.379 20 0 BEADMP Cc1ccoc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902388216 584579815 /nfs/dbraw/zinc/57/98/15/584579815.db2.gz NQHNESSLZSUGCU-LBPRGKRZSA-N 2 1 236.359 2.456 20 0 BEADMP COc1cccc2c1CCC[C@@H]2[NH2+]CC1([NH3+])CC1 ZINC000902404873 584588790 /nfs/dbraw/zinc/58/87/90/584588790.db2.gz GKJYJTLCQRDVGH-ZDUSSCGKSA-N 2 1 246.354 2.154 20 0 BEADMP CCc1ccc([C@H](C)[NH2+]CC2([NH3+])CC2)s1 ZINC000902415427 584589632 /nfs/dbraw/zinc/58/96/32/584589632.db2.gz NSQYYQBGNLMXIN-VIFPVBQESA-N 2 1 224.373 2.452 20 0 BEADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902415359 584589727 /nfs/dbraw/zinc/58/97/27/584589727.db2.gz FINBUPUOOCQYJM-RYUDHWBXSA-N 2 1 218.344 2.260 20 0 BEADMP [NH3+]C1(C[NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000902414312 584600432 /nfs/dbraw/zinc/60/04/32/584600432.db2.gz WKSXJBMDRCYXGE-ZDUSSCGKSA-N 2 1 234.318 2.284 20 0 BEADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902415155 584601013 /nfs/dbraw/zinc/60/10/13/584601013.db2.gz BWLIOPHSTGEENV-NWDGAFQWSA-N 2 1 248.370 2.268 20 0 BEADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902472821 584601051 /nfs/dbraw/zinc/60/10/51/584601051.db2.gz HZGHXAONNDTSGR-QPKOPYBWSA-N 2 1 248.345 2.239 20 0 BEADMP Cc1ccccc1[C@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902415069 584601490 /nfs/dbraw/zinc/60/14/90/584601490.db2.gz KJJIDPZRJIRGLO-NSHDSACASA-N 2 1 204.317 2.137 20 0 BEADMP C[C@H](Cc1ccsc1)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902448460 584605500 /nfs/dbraw/zinc/60/55/00/584605500.db2.gz FVPZJEXNQGKRSS-PWSUYJOCSA-N 2 1 238.400 2.267 20 0 BEADMP C[C@@H](Cc1ccsc1)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902448457 584605588 /nfs/dbraw/zinc/60/55/88/584605588.db2.gz FVPZJEXNQGKRSS-JQWIXIFHSA-N 2 1 238.400 2.267 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCCC2(CC2)C1 ZINC000902452124 584607569 /nfs/dbraw/zinc/60/75/69/584607569.db2.gz IWACFQXAUYSHIK-FRRDWIJNSA-N 2 1 222.376 2.297 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000902453649 584608851 /nfs/dbraw/zinc/60/88/51/584608851.db2.gz DHFVBKPNYUQPDL-GRYCIOLGSA-N 2 1 246.345 2.400 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+]C2C[C@@H]3CCC[C@H]3C2)C1 ZINC000902796983 584674904 /nfs/dbraw/zinc/67/49/04/584674904.db2.gz SARCGRACNOVHRP-RDBSUJKOSA-N 2 1 236.403 2.497 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1 ZINC000902896931 584691397 /nfs/dbraw/zinc/69/13/97/584691397.db2.gz NKSBWLJYQAYUOR-QDMKHBRRSA-N 2 1 234.387 2.417 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903079323 584724632 /nfs/dbraw/zinc/72/46/32/584724632.db2.gz LXSOTDNWKYVAEN-AAQXDXKCSA-N 2 1 234.387 2.390 20 0 BEADMP FCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903174504 584732546 /nfs/dbraw/zinc/73/25/46/584732546.db2.gz KNMUMANIFAXZIZ-QXMXGUDHSA-N 2 1 240.366 2.484 20 0 BEADMP C1=C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903199671 584734625 /nfs/dbraw/zinc/73/46/25/584734625.db2.gz LSYGVCMARNSSBH-IKKMQULASA-N 2 1 232.371 2.452 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)CC1 ZINC000903252668 584738993 /nfs/dbraw/zinc/73/89/93/584738993.db2.gz DUWSFSBSKRDUBH-RUZUBIRVSA-N 2 1 222.376 2.105 20 0 BEADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000903255240 584739631 /nfs/dbraw/zinc/73/96/31/584739631.db2.gz VHNHKFNLTLWMHO-UCKQBZRPSA-N 2 1 222.376 2.103 20 0 BEADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000903255240 584739632 /nfs/dbraw/zinc/73/96/32/584739632.db2.gz VHNHKFNLTLWMHO-UCKQBZRPSA-N 2 1 222.376 2.103 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)[C@H](C)C1 ZINC000903255667 584739797 /nfs/dbraw/zinc/73/97/97/584739797.db2.gz YSZZSTBPMUCYSR-PMXAPFLYSA-N 2 1 236.403 2.351 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)[C@@H](C)C1 ZINC000903255665 584739999 /nfs/dbraw/zinc/73/99/99/584739999.db2.gz YSZZSTBPMUCYSR-BYGOPZEFSA-N 2 1 236.403 2.351 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)CC[C@@H]1[NH3+] ZINC000903425254 584760928 /nfs/dbraw/zinc/76/09/28/584760928.db2.gz YNMIEXWSIYVZSE-RISCZKNCSA-N 2 1 243.354 2.337 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCc2ccccc2[C@@H]1C ZINC000903434867 584762118 /nfs/dbraw/zinc/76/21/18/584762118.db2.gz LVQGWFVZZYXVEW-IPYPFGDCSA-N 2 1 244.382 2.461 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@H](C)CCC[C@H]1C ZINC000903440172 584763164 /nfs/dbraw/zinc/76/31/64/584763164.db2.gz VIHVLHLIIJHKFT-SYQHCUMBSA-N 2 1 224.392 2.352 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000903459846 584766691 /nfs/dbraw/zinc/76/66/91/584766691.db2.gz OQRYVAVKLKWLRD-MJBXVCDLSA-N 2 1 236.403 2.497 20 0 BEADMP [NH3+]CCC[N@@H+](CCOC1CC1)CC1CCCC1 ZINC000903453129 584772902 /nfs/dbraw/zinc/77/29/02/584772902.db2.gz ZZRIZJKGUQWOPO-UHFFFAOYSA-N 2 1 240.391 2.006 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000903454666 584773348 /nfs/dbraw/zinc/77/33/48/584773348.db2.gz HTCOCPAXPFQKCG-RISCZKNCSA-N 2 1 248.345 2.039 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCc2ccc(F)cc2C1 ZINC000903454666 584773350 /nfs/dbraw/zinc/77/33/50/584773350.db2.gz HTCOCPAXPFQKCG-RISCZKNCSA-N 2 1 248.345 2.039 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000903454643 584773415 /nfs/dbraw/zinc/77/34/15/584773415.db2.gz GWOFIFIRWOCLNA-VHDGCEQUSA-N 2 1 245.370 2.074 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCc3ccc(F)cc3C2)C1 ZINC000903455370 584774227 /nfs/dbraw/zinc/77/42/27/584774227.db2.gz WAAUWEBQDJIIOQ-XHDPSFHLSA-N 2 1 248.345 2.311 20 0 BEADMP c1csc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000903469717 584774604 /nfs/dbraw/zinc/77/46/04/584774604.db2.gz BACAMYXNANQIBG-LBPRGKRZSA-N 2 1 236.384 2.165 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000903471921 584775289 /nfs/dbraw/zinc/77/52/89/584775289.db2.gz WJVPKPKJEMXOJK-OAHLLOKOSA-N 2 1 244.382 2.412 20 0 BEADMP c1ccc(CCC[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000903466420 584779753 /nfs/dbraw/zinc/77/97/53/584779753.db2.gz SGYYCXRLEYBDEP-HNNXBMFYSA-N 2 1 244.382 2.493 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC2CC(C)C2)C1 ZINC000903716266 584794333 /nfs/dbraw/zinc/79/43/33/584794333.db2.gz LESVNSHWTXHJCB-POOIEITISA-N 2 1 210.365 2.092 20 0 BEADMP CC1CC(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000903751211 584795672 /nfs/dbraw/zinc/79/56/72/584795672.db2.gz FTKYSOJGLFOXSX-RUXDESIVSA-N 2 1 222.376 2.108 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]C1)c1ccccn1 ZINC000903759470 584796465 /nfs/dbraw/zinc/79/64/65/584796465.db2.gz QAJJHPSUXSUAJH-QWHCGFSZSA-N 2 1 233.359 2.122 20 0 BEADMP C[C@]12C[N@@H+](C[C@H]3CCC[NH2+]C3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903827767 584804900 /nfs/dbraw/zinc/80/49/00/584804900.db2.gz WRIGUBBUYLXCDW-ARKGTOAJSA-N 2 1 248.414 2.354 20 0 BEADMP Cc1cccc(C)c1C[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000903827477 584805186 /nfs/dbraw/zinc/80/51/86/584805186.db2.gz UFPFDNVVNQVVHT-CQSZACIVSA-N 2 1 232.371 2.345 20 0 BEADMP C[C@]12C[N@@H+](C[C@@H]3CC[C@H]([NH3+])C3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903827443 584805203 /nfs/dbraw/zinc/80/52/03/584805203.db2.gz SVYFXSWOYXRAQP-YUDUXTHKSA-N 2 1 246.398 2.258 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@@H]3CC[C@]32CN)c1 ZINC000903856177 584808836 /nfs/dbraw/zinc/80/88/36/584808836.db2.gz QUISHCJTVPNDBZ-GJZGRUSLSA-N 2 1 230.355 2.308 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@H]3CC[C@]32CN)c1 ZINC000903856177 584808838 /nfs/dbraw/zinc/80/88/38/584808838.db2.gz QUISHCJTVPNDBZ-GJZGRUSLSA-N 2 1 230.355 2.308 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])c1 ZINC000903856177 584808839 /nfs/dbraw/zinc/80/88/39/584808839.db2.gz QUISHCJTVPNDBZ-GJZGRUSLSA-N 2 1 230.355 2.308 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])c1 ZINC000903856177 584808841 /nfs/dbraw/zinc/80/88/41/584808841.db2.gz QUISHCJTVPNDBZ-GJZGRUSLSA-N 2 1 230.355 2.308 20 0 BEADMP Cc1ccc(CC[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903855089 584808893 /nfs/dbraw/zinc/80/88/93/584808893.db2.gz LIFGVQFIMJWEGT-CVEARBPZSA-N 2 1 244.382 2.351 20 0 BEADMP Cc1ccc(CC[N@H+]2CC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903855089 584808894 /nfs/dbraw/zinc/80/88/94/584808894.db2.gz LIFGVQFIMJWEGT-CVEARBPZSA-N 2 1 244.382 2.351 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903857365 584809871 /nfs/dbraw/zinc/80/98/71/584809871.db2.gz DKWPIWQFQJAFRP-NTZNESFSSA-N 2 1 246.345 2.481 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903857365 584809872 /nfs/dbraw/zinc/80/98/72/584809872.db2.gz DKWPIWQFQJAFRP-NTZNESFSSA-N 2 1 246.345 2.481 20 0 BEADMP CC1(C)CC(C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])C1 ZINC000903857375 584810478 /nfs/dbraw/zinc/81/04/78/584810478.db2.gz DMNWKQIMDIMXPZ-OCCSQVGLSA-N 2 1 222.376 2.236 20 0 BEADMP CC1(C)CC(C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])C1 ZINC000903857375 584810479 /nfs/dbraw/zinc/81/04/79/584810479.db2.gz DMNWKQIMDIMXPZ-OCCSQVGLSA-N 2 1 222.376 2.236 20 0 BEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCc1cccs1 ZINC000903858798 584810707 /nfs/dbraw/zinc/81/07/07/584810707.db2.gz ZOTZZRRKSZGAOF-AAEUAGOBSA-N 2 1 236.384 2.104 20 0 BEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCc1cccs1 ZINC000903858798 584810708 /nfs/dbraw/zinc/81/07/08/584810708.db2.gz ZOTZZRRKSZGAOF-AAEUAGOBSA-N 2 1 236.384 2.104 20 0 BEADMP CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869171 584814634 /nfs/dbraw/zinc/81/46/34/584814634.db2.gz CXJNFWPPCHVEPI-AAEUAGOBSA-N 2 1 246.345 2.496 20 0 BEADMP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869171 584814635 /nfs/dbraw/zinc/81/46/35/584814635.db2.gz CXJNFWPPCHVEPI-AAEUAGOBSA-N 2 1 246.345 2.496 20 0 BEADMP CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869173 584814803 /nfs/dbraw/zinc/81/48/03/584814803.db2.gz CXJNFWPPCHVEPI-WCQYABFASA-N 2 1 246.345 2.496 20 0 BEADMP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869173 584814805 /nfs/dbraw/zinc/81/48/05/584814805.db2.gz CXJNFWPPCHVEPI-WCQYABFASA-N 2 1 246.345 2.496 20 0 BEADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903922850 584823506 /nfs/dbraw/zinc/82/35/06/584823506.db2.gz GFLKKSBUFZCHMN-OPRDCNLKSA-N 2 1 220.307 2.137 20 0 BEADMP C[C@H]([NH2+]C[C@H]([NH3+])CC(F)F)c1ccccc1 ZINC000903922784 584823881 /nfs/dbraw/zinc/82/38/81/584823881.db2.gz DXLGYXJBLYNIAI-GXSJLCMTSA-N 2 1 228.286 2.320 20 0 BEADMP Cc1cccc(CC[NH2+]C[C@H]([NH3+])CC(F)F)c1 ZINC000903926000 584823968 /nfs/dbraw/zinc/82/39/68/584823968.db2.gz QTCBNKMOMADCOW-GFCCVEGCSA-N 2 1 242.313 2.110 20 0 BEADMP C[N@H+](Cc1ccc(F)cc1F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904306567 584862059 /nfs/dbraw/zinc/86/20/59/584862059.db2.gz ABSCUKXMARJFRU-WVSHTKLVSA-N 2 1 240.297 2.134 20 0 BEADMP C[N@@H+](CCCc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904307832 584862733 /nfs/dbraw/zinc/86/27/33/584862733.db2.gz GPDMENYUMSTNAR-GASCZTMLSA-N 2 1 232.371 2.288 20 0 BEADMP COC[C@@H]1CC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904321019 584863991 /nfs/dbraw/zinc/86/39/91/584863991.db2.gz TXHPMMYWKQXQTG-CHWSQXEVSA-N 2 1 242.407 2.108 20 0 BEADMP COC[C@@H]1CC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904321019 584863992 /nfs/dbraw/zinc/86/39/92/584863992.db2.gz TXHPMMYWKQXQTG-CHWSQXEVSA-N 2 1 242.407 2.108 20 0 BEADMP COC[C@H]1CC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904321022 584864256 /nfs/dbraw/zinc/86/42/56/584864256.db2.gz TXHPMMYWKQXQTG-QWHCGFSZSA-N 2 1 242.407 2.108 20 0 BEADMP COC[C@H]1CC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904321022 584864257 /nfs/dbraw/zinc/86/42/57/584864257.db2.gz TXHPMMYWKQXQTG-QWHCGFSZSA-N 2 1 242.407 2.108 20 0 BEADMP CC(C)C[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325292 584865209 /nfs/dbraw/zinc/86/52/09/584865209.db2.gz VFVNUMKYOWYUBU-MCIONIFRSA-N 2 1 224.392 2.482 20 0 BEADMP CCS[C@H]1CC[C@@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325960 584865577 /nfs/dbraw/zinc/86/55/77/584865577.db2.gz AAKKGWVSOXTOGV-XQHKEYJVSA-N 2 1 242.432 2.330 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H]2CCCC[C@H]12 ZINC000904330686 584866238 /nfs/dbraw/zinc/86/62/38/584866238.db2.gz AKVGUKXDOOBUCG-RGDJUOJXSA-N 2 1 222.376 2.234 20 0 BEADMP C[NH2+]CCC[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000904353185 584869739 /nfs/dbraw/zinc/86/97/39/584869739.db2.gz HVLFPVVCLMDJRK-UHFFFAOYSA-N 2 1 246.276 2.462 20 0 BEADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](N)CCC(C)(C)C ZINC000904354842 584870906 /nfs/dbraw/zinc/87/09/06/584870906.db2.gz JOXBXAPQGHUIRP-QWHCGFSZSA-N 2 1 243.439 2.247 20 0 BEADMP Cc1ccc2c(c1)C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)CC2 ZINC000904377466 584876167 /nfs/dbraw/zinc/87/61/67/584876167.db2.gz PYWJABNDEIFTIK-JNSHFYNHSA-N 2 1 230.355 2.090 20 0 BEADMP C[C@@]1(C[N@H+]2CC[C@]3(CC3(F)F)C2)CCC[NH2+]C1 ZINC000904376391 584876390 /nfs/dbraw/zinc/87/63/90/584876390.db2.gz QZXLEBZYUFDQND-NEPJUHHUSA-N 2 1 244.329 2.107 20 0 BEADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CC[C@H](CF)C1 ZINC000904386406 584877765 /nfs/dbraw/zinc/87/77/65/584877765.db2.gz YWBQMXNMVIJKPH-NEPJUHHUSA-N 2 1 230.371 2.431 20 0 BEADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CC[C@H](CF)C1 ZINC000904386406 584877766 /nfs/dbraw/zinc/87/77/66/584877766.db2.gz YWBQMXNMVIJKPH-NEPJUHHUSA-N 2 1 230.371 2.431 20 0 BEADMP C[N@H+](CCCF)C[C@H]([NH3+])CCC(C)(C)C ZINC000904388189 584878209 /nfs/dbraw/zinc/87/82/09/584878209.db2.gz FZIOKRFYDWDYMN-LLVKDONJSA-N 2 1 218.360 2.431 20 0 BEADMP C[N@@H+](CCCF)C[C@H]([NH3+])CCC(C)(C)C ZINC000904388189 584878210 /nfs/dbraw/zinc/87/82/10/584878210.db2.gz FZIOKRFYDWDYMN-LLVKDONJSA-N 2 1 218.360 2.431 20 0 BEADMP Cc1ccsc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904411815 584879691 /nfs/dbraw/zinc/87/96/91/584879691.db2.gz NPSQALISNHPADP-VXGBXAGGSA-N 2 1 238.400 2.473 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)s1 ZINC000904412780 584879739 /nfs/dbraw/zinc/87/97/39/584879739.db2.gz XPOVGVRLOZEMHS-ZYHUDNBSSA-N 2 1 238.400 2.473 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)s1 ZINC000904420619 584881964 /nfs/dbraw/zinc/88/19/64/584881964.db2.gz BQKLIKLHGGSQKN-NWDGAFQWSA-N 2 1 236.384 2.098 20 0 BEADMP C(=C\c1ccccc1)\C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420662 584882414 /nfs/dbraw/zinc/88/24/14/584882414.db2.gz DCGNNVGEXMVEBG-CGXDKWGCSA-N 2 1 242.366 2.241 20 0 BEADMP CC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768238364 585533421 /nfs/dbraw/zinc/53/34/21/585533421.db2.gz YSPZQOCKYZUKJG-UHFFFAOYSA-N 2 1 206.333 2.200 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc[nH]1 ZINC000773120673 585631800 /nfs/dbraw/zinc/63/18/00/585631800.db2.gz QLZHPSZGXXWUBN-YNEHKIRRSA-N 2 1 233.359 2.292 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc[nH]1 ZINC000773120673 585631801 /nfs/dbraw/zinc/63/18/01/585631801.db2.gz QLZHPSZGXXWUBN-YNEHKIRRSA-N 2 1 233.359 2.292 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc[nH]1 ZINC000773120671 585631871 /nfs/dbraw/zinc/63/18/71/585631871.db2.gz QLZHPSZGXXWUBN-XQQFMLRXSA-N 2 1 233.359 2.292 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc[nH]1 ZINC000773120671 585631872 /nfs/dbraw/zinc/63/18/72/585631872.db2.gz QLZHPSZGXXWUBN-XQQFMLRXSA-N 2 1 233.359 2.292 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCC=CO2)C1 ZINC000774988689 585670158 /nfs/dbraw/zinc/67/01/58/585670158.db2.gz FNNIGHGXKYCZPY-ZIAGYGMSSA-N 2 1 238.375 2.001 20 0 BEADMP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)CCO)CC(C)C ZINC000779344363 585752025 /nfs/dbraw/zinc/75/20/25/585752025.db2.gz XTOTUDAMITVFGS-ZIAGYGMSSA-N 2 1 244.423 2.103 20 0 BEADMP CCc1cc(NCC[N@H+]2CCC[C@H]2C)nc(C)n1 ZINC000782148158 585808528 /nfs/dbraw/zinc/80/85/28/585808528.db2.gz LBMIVFRHNKSIQF-LLVKDONJSA-N 2 1 248.374 2.244 20 0 BEADMP C[C@H](C1CC1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000782192940 585811443 /nfs/dbraw/zinc/81/14/43/585811443.db2.gz XDIGJUWYUZZWBJ-BNOWGMLFSA-N 2 1 222.376 2.201 20 0 BEADMP C[C@H](C1CC1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000782192940 585811444 /nfs/dbraw/zinc/81/14/44/585811444.db2.gz XDIGJUWYUZZWBJ-BNOWGMLFSA-N 2 1 222.376 2.201 20 0 BEADMP C[C@H](C1CC1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000782192940 585811445 /nfs/dbraw/zinc/81/14/45/585811445.db2.gz XDIGJUWYUZZWBJ-BNOWGMLFSA-N 2 1 222.376 2.201 20 0 BEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(F)(F)CC1 ZINC000796542550 586106729 /nfs/dbraw/zinc/10/67/29/586106729.db2.gz XVZUNGWDAUNTFH-LLVKDONJSA-N 2 1 232.318 2.202 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(F)(F)CC1 ZINC000796542550 586106730 /nfs/dbraw/zinc/10/67/30/586106730.db2.gz XVZUNGWDAUNTFH-LLVKDONJSA-N 2 1 232.318 2.202 20 0 BEADMP C[C@H]1C[C@H]1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798956977 586154105 /nfs/dbraw/zinc/15/41/05/586154105.db2.gz SECRWKPFDCMKQF-KBPBESRZSA-N 2 1 236.403 2.450 20 0 BEADMP C(C[N@H+]1CCC[C@@]12CC[NH2+]C2)C1CCC1 ZINC000757134231 586427078 /nfs/dbraw/zinc/42/70/78/586427078.db2.gz MDOLPJAWRXJTDW-ZDUSSCGKSA-N 2 1 208.349 2.005 20 0 BEADMP C(C[N@H+]1CCC[C@]12CC[NH2+]C2)C1CCC1 ZINC000757134230 586427289 /nfs/dbraw/zinc/42/72/89/586427289.db2.gz MDOLPJAWRXJTDW-CYBMUJFWSA-N 2 1 208.349 2.005 20 0 BEADMP C[NH+](C)Cc1cnc(CN2CCC2(C)C)s1 ZINC000809578160 586507614 /nfs/dbraw/zinc/50/76/14/586507614.db2.gz ILPXQDDXMRSUIK-UHFFFAOYSA-N 2 1 239.388 2.189 20 0 BEADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccoc2)C1 ZINC000809767222 586518731 /nfs/dbraw/zinc/51/87/31/586518731.db2.gz HTRWFMUTCUUMKN-KGLIPLIRSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccoc2)C1 ZINC000809767222 586518732 /nfs/dbraw/zinc/51/87/32/586518732.db2.gz HTRWFMUTCUUMKN-KGLIPLIRSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccoc2)C1 ZINC000809767222 586518734 /nfs/dbraw/zinc/51/87/34/586518734.db2.gz HTRWFMUTCUUMKN-KGLIPLIRSA-N 2 1 234.343 2.196 20 0 BEADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccoc2)C1 ZINC000809767223 586518846 /nfs/dbraw/zinc/51/88/46/586518846.db2.gz HTRWFMUTCUUMKN-UONOGXRCSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccoc2)C1 ZINC000809767223 586518847 /nfs/dbraw/zinc/51/88/47/586518847.db2.gz HTRWFMUTCUUMKN-UONOGXRCSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccoc2)C1 ZINC000809767223 586518849 /nfs/dbraw/zinc/51/88/49/586518849.db2.gz HTRWFMUTCUUMKN-UONOGXRCSA-N 2 1 234.343 2.196 20 0 BEADMP CC(C)Oc1cccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000817890480 586832213 /nfs/dbraw/zinc/83/22/13/586832213.db2.gz YOCDBMYACGGPKW-GJZGRUSLSA-N 2 1 248.370 2.443 20 0 BEADMP C[C@@H]([NH2+]CCC1CCC1)c1c[nH+]ccc1N ZINC000817906949 586836987 /nfs/dbraw/zinc/83/69/87/586836987.db2.gz HZEWHTJQGRWVIN-SNVBAGLBSA-N 2 1 219.332 2.335 20 0 BEADMP C[C@@H](CSC(C)(C)C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000817951664 586845072 /nfs/dbraw/zinc/84/50/72/586845072.db2.gz JBSIXHJOFIFLIV-WDEREUQCSA-N 2 1 230.421 2.248 20 0 BEADMP C[C@@H](CSC(C)(C)C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000817959569 586851652 /nfs/dbraw/zinc/85/16/52/586851652.db2.gz GZZUJWJXEFIZLN-ONGXEEELSA-N 2 1 230.421 2.234 20 0 BEADMP CCOc1cccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])c1 ZINC000817959969 586852014 /nfs/dbraw/zinc/85/20/14/586852014.db2.gz JEFMBTXXEFLPGT-LLVKDONJSA-N 2 1 236.359 2.473 20 0 BEADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C[NH3+])C1CC1 ZINC000817961338 586852240 /nfs/dbraw/zinc/85/22/40/586852240.db2.gz XKVIIFYBFRPTFM-LSDHHAIUSA-N 2 1 230.355 2.309 20 0 BEADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccnc(Cl)c1 ZINC000817965042 586854079 /nfs/dbraw/zinc/85/40/79/586854079.db2.gz NXCWRECEFFSLAL-VIFPVBQESA-N 2 1 239.750 2.267 20 0 BEADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc2c(c1)CCO2 ZINC000817964739 586854251 /nfs/dbraw/zinc/85/42/51/586854251.db2.gz GOFXKQKMMCDLGY-YGRLFVJLSA-N 2 1 246.354 2.009 20 0 BEADMP COc1cc(C)c([C@H](C)[NH2+][C@H](C)C[NH3+])cc1C ZINC000817966252 586854788 /nfs/dbraw/zinc/85/47/88/586854788.db2.gz JSYOZTFHSUTDIL-NEPJUHHUSA-N 2 1 236.359 2.310 20 0 BEADMP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000817967538 586856096 /nfs/dbraw/zinc/85/60/96/586856096.db2.gz KCQFCYCMQFHVKO-IJLUTSLNSA-N 2 1 244.448 2.494 20 0 BEADMP CC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccc2c(c1)CCO2 ZINC000817970179 586857375 /nfs/dbraw/zinc/85/73/75/586857375.db2.gz NHSUPATXDLUPCP-GWCFXTLKSA-N 2 1 234.343 2.009 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000825332307 587315283 /nfs/dbraw/zinc/31/52/83/587315283.db2.gz VKWULOUSXDXRAZ-NEPJUHHUSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC000825332307 587315284 /nfs/dbraw/zinc/31/52/84/587315284.db2.gz VKWULOUSXDXRAZ-NEPJUHHUSA-N 2 1 210.365 2.249 20 0 BEADMP C[N@@H+](CCC[NH2+][C@H]1CCOC1)C1CCCCC1 ZINC000104064891 587929946 /nfs/dbraw/zinc/92/99/46/587929946.db2.gz RQGGDWVDYWKZGQ-ZDUSSCGKSA-N 2 1 240.391 2.020 20 0 BEADMP COc1c(C)cc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1C ZINC000841051846 587939634 /nfs/dbraw/zinc/93/96/34/587939634.db2.gz ZIPDQTPMGDVQOS-AWEZNQCLSA-N 2 1 248.370 2.139 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1cnc2ccccc2c1 ZINC000841073541 587943919 /nfs/dbraw/zinc/94/39/19/587943919.db2.gz YUZBVYFNKZQZES-ZDUSSCGKSA-N 2 1 229.327 2.062 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000841089314 587946087 /nfs/dbraw/zinc/94/60/87/587946087.db2.gz LMVBOSSVARPEBT-AWEZNQCLSA-N 2 1 245.370 2.154 20 0 BEADMP Cc1cccc2c1CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000843064551 588078306 /nfs/dbraw/zinc/07/83/06/588078306.db2.gz XDMARQWSIWMTEU-CQSZACIVSA-N 2 1 244.382 2.353 20 0 BEADMP C[C@@H](N)[C@@H]1CCCC[N@H+]1CCCCCCC[NH3+] ZINC000843347950 588102760 /nfs/dbraw/zinc/10/27/60/588102760.db2.gz YXEAJFDMSLKFBW-KGLIPLIRSA-N 2 1 241.423 2.097 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCCCN1CCCCCCC[NH3+] ZINC000843347950 588102762 /nfs/dbraw/zinc/10/27/62/588102762.db2.gz YXEAJFDMSLKFBW-KGLIPLIRSA-N 2 1 241.423 2.097 20 0 BEADMP Cc1ccc(C[NH2+]CCC[N@@H+](C)CC(C)C)cn1 ZINC000845996066 588252806 /nfs/dbraw/zinc/25/28/06/588252806.db2.gz KFMVPNYRRNHPOU-UHFFFAOYSA-N 2 1 249.402 2.458 20 0 BEADMP Cc1ccc(C[NH2+]CCC[N@H+](C)CC(C)C)cn1 ZINC000845996066 588252807 /nfs/dbraw/zinc/25/28/07/588252807.db2.gz KFMVPNYRRNHPOU-UHFFFAOYSA-N 2 1 249.402 2.458 20 0 BEADMP Cl/C=C/C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000846220765 588259954 /nfs/dbraw/zinc/25/99/54/588259954.db2.gz PTNWAUUOOZYMGF-CXILLOQGSA-N 2 1 228.767 2.203 20 0 BEADMP Cl/C=C/C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000846220765 588259955 /nfs/dbraw/zinc/25/99/55/588259955.db2.gz PTNWAUUOOZYMGF-CXILLOQGSA-N 2 1 228.767 2.203 20 0 BEADMP C[C@@H]1C[C@H]1C(N)=[NH+]OCCC[NH+]1CCCCC1 ZINC000848516929 588388818 /nfs/dbraw/zinc/38/88/18/588388818.db2.gz BKURCJPKWXQFEX-VXGBXAGGSA-N 2 1 239.363 2.017 20 0 BEADMP C[C@H]1C[C@@H]1C(N)=[NH+]OCCC[NH+]1CCCCC1 ZINC000848516928 588389359 /nfs/dbraw/zinc/38/93/59/588389359.db2.gz BKURCJPKWXQFEX-RYUDHWBXSA-N 2 1 239.363 2.017 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])CC1=CCSC1 ZINC000852762350 588701093 /nfs/dbraw/zinc/70/10/93/588701093.db2.gz KSPMIDABTBAGGE-UHFFFAOYSA-N 2 1 228.405 2.111 20 0 BEADMP CS[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000865733262 589459277 /nfs/dbraw/zinc/45/92/77/589459277.db2.gz GSQRQQHTWZHUQP-FVCCEPFGSA-N 2 1 240.416 2.097 20 0 BEADMP COC(C)(C)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000865754468 589460916 /nfs/dbraw/zinc/46/09/16/589460916.db2.gz PFBWZZYOGWALEK-LBPRGKRZSA-N 2 1 242.407 2.264 20 0 BEADMP COC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000865754466 589461125 /nfs/dbraw/zinc/46/11/25/589461125.db2.gz PFBWZZYOGWALEK-GFCCVEGCSA-N 2 1 242.407 2.264 20 0 BEADMP Cc1cc(N2CC[N@H+](C)C(C)(C)CC2)nc(C)n1 ZINC000866115136 589477262 /nfs/dbraw/zinc/47/72/62/589477262.db2.gz VVZWIMCWKGQQGU-UHFFFAOYSA-N 2 1 248.374 2.014 20 0 BEADMP CS[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000866486951 589496290 /nfs/dbraw/zinc/49/62/90/589496290.db2.gz RWDZSBYDLCSNKY-IVXLTEJVSA-N 2 1 240.416 2.095 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)OC)[C@@H](C)C1 ZINC000866503732 589498022 /nfs/dbraw/zinc/49/80/22/589498022.db2.gz VTACXWYQWOGZQB-STQMWFEESA-N 2 1 242.407 2.121 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CCC[C@H](C[NH3+])C2)c(C)n1 ZINC000866659834 589508263 /nfs/dbraw/zinc/50/82/63/589508263.db2.gz VRUKLPXOZYTMER-CQSZACIVSA-N 2 1 247.386 2.178 20 0 BEADMP FC1(F)CC[C@@H](C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000866665266 589509550 /nfs/dbraw/zinc/50/95/50/589509550.db2.gz AXTHTEVHFDVYIZ-NEPJUHHUSA-N 2 1 244.329 2.250 20 0 BEADMP FC1(F)CC[C@@H](C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000866665266 589509551 /nfs/dbraw/zinc/50/95/51/589509551.db2.gz AXTHTEVHFDVYIZ-NEPJUHHUSA-N 2 1 244.329 2.250 20 0 BEADMP C(CC1CC1)C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000866667427 589510323 /nfs/dbraw/zinc/51/03/23/589510323.db2.gz MAHXTZXTCHMLQU-ZDUSSCGKSA-N 2 1 208.349 2.005 20 0 BEADMP C(CC1CC1)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000866667427 589510325 /nfs/dbraw/zinc/51/03/25/589510325.db2.gz MAHXTZXTCHMLQU-ZDUSSCGKSA-N 2 1 208.349 2.005 20 0 BEADMP CC[C@@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866708240 589514724 /nfs/dbraw/zinc/51/47/24/589514724.db2.gz QGQNRHSHGFKIAT-DGCLKSJQSA-N 2 1 212.381 2.482 20 0 BEADMP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000866721342 589514946 /nfs/dbraw/zinc/51/49/46/589514946.db2.gz VARVPWKHQDWJOJ-AWEZNQCLSA-N 2 1 233.359 2.136 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000866721342 589514947 /nfs/dbraw/zinc/51/49/47/589514947.db2.gz VARVPWKHQDWJOJ-AWEZNQCLSA-N 2 1 233.359 2.136 20 0 BEADMP Cc1cncc([C@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000866720416 589515422 /nfs/dbraw/zinc/51/54/22/589515422.db2.gz KXFDCEHTRCPLMI-DZGCQCFKSA-N 2 1 245.370 2.136 20 0 BEADMP CC(C)OC1(C[NH2+]C2CC[NH+](C)CC2)CCC1 ZINC000872115291 589874967 /nfs/dbraw/zinc/87/49/67/589874967.db2.gz AUGOQXOLJRQUBM-UHFFFAOYSA-N 2 1 240.391 2.018 20 0 BEADMP CC[N@H+]1CCC[C@H]1CNc1cc[nH+]cc1C1CC1 ZINC000872388505 589931350 /nfs/dbraw/zinc/93/13/50/589931350.db2.gz RQVNVDRCWURHFV-ZDUSSCGKSA-N 2 1 245.370 2.277 20 0 BEADMP CN(C[C@H]1CCC[N@H+]1C)c1cc[nH+]cc1C1CC1 ZINC000872574062 589953820 /nfs/dbraw/zinc/95/38/20/589953820.db2.gz XUOXJMCTXYKPJO-CYBMUJFWSA-N 2 1 245.370 2.489 20 0 BEADMP COCCC[C@@H](C)[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873236918 590004798 /nfs/dbraw/zinc/00/47/98/590004798.db2.gz KTKJSOPWXMYLEB-CHWSQXEVSA-N 2 1 242.407 2.169 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCC1CC1 ZINC000873253231 590009802 /nfs/dbraw/zinc/00/98/02/590009802.db2.gz VKCVMAYAJDMOQM-AAEUAGOBSA-N 2 1 210.365 2.154 20 0 BEADMP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cc2cnccc2o1 ZINC000873276354 590017837 /nfs/dbraw/zinc/01/78/37/590017837.db2.gz SNJNVRIIKIGKLD-UWVGGRQHSA-N 2 1 245.326 2.086 20 0 BEADMP CC(C)[C@H](C[NH2+][C@H]1CCSC1)[NH+]1CCCC1 ZINC000020200599 590085494 /nfs/dbraw/zinc/08/54/94/590085494.db2.gz LLPCZQUXFXNPDO-STQMWFEESA-N 2 1 242.432 2.202 20 0 BEADMP CC(C)[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000125646488 590176231 /nfs/dbraw/zinc/17/62/31/590176231.db2.gz HKQXUUJJHYOLRT-UHFFFAOYSA-N 2 1 218.344 2.173 20 0 BEADMP COCC[N@@H+](C)CCC[NH2+]CC1(C)CCCC1 ZINC000876928471 590258261 /nfs/dbraw/zinc/25/82/61/590258261.db2.gz GAPSLMFLAHKCGF-UHFFFAOYSA-N 2 1 242.407 2.125 20 0 BEADMP CCC[C@H](C)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877738219 590405280 /nfs/dbraw/zinc/40/52/80/590405280.db2.gz APNSKCTVGOEVJM-MJBXVCDLSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877738219 590405281 /nfs/dbraw/zinc/40/52/81/590405281.db2.gz APNSKCTVGOEVJM-MJBXVCDLSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877738219 590405283 /nfs/dbraw/zinc/40/52/83/590405283.db2.gz APNSKCTVGOEVJM-MJBXVCDLSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877738219 590405285 /nfs/dbraw/zinc/40/52/85/590405285.db2.gz APNSKCTVGOEVJM-MJBXVCDLSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)C1(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)CC1 ZINC000877738848 590406280 /nfs/dbraw/zinc/40/62/80/590406280.db2.gz MOAAABAGEOMOJB-ZIAGYGMSSA-N 2 1 236.403 2.449 20 0 BEADMP CC(C)C1(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000877738848 590406281 /nfs/dbraw/zinc/40/62/81/590406281.db2.gz MOAAABAGEOMOJB-ZIAGYGMSSA-N 2 1 236.403 2.449 20 0 BEADMP CC(C)C1(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000877738848 590406282 /nfs/dbraw/zinc/40/62/82/590406282.db2.gz MOAAABAGEOMOJB-ZIAGYGMSSA-N 2 1 236.403 2.449 20 0 BEADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccs3)CC[C@@H]21 ZINC000877742522 590408539 /nfs/dbraw/zinc/40/85/39/590408539.db2.gz DQLQQURZVXIWOY-AAEUAGOBSA-N 2 1 236.384 2.274 20 0 BEADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccs3)CC[C@@H]21 ZINC000877742522 590408541 /nfs/dbraw/zinc/40/85/41/590408541.db2.gz DQLQQURZVXIWOY-AAEUAGOBSA-N 2 1 236.384 2.274 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccs3)CC[C@@H]21 ZINC000877742522 590408542 /nfs/dbraw/zinc/40/85/42/590408542.db2.gz DQLQQURZVXIWOY-AAEUAGOBSA-N 2 1 236.384 2.274 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccs3)CC[C@@H]21 ZINC000877742522 590408544 /nfs/dbraw/zinc/40/85/44/590408544.db2.gz DQLQQURZVXIWOY-AAEUAGOBSA-N 2 1 236.384 2.274 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]21 ZINC000877741287 590409269 /nfs/dbraw/zinc/40/92/69/590409269.db2.gz AKBLAFNJTIXEBA-HUUCEWRRSA-N 2 1 230.355 2.213 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]21 ZINC000877741287 590409271 /nfs/dbraw/zinc/40/92/71/590409271.db2.gz AKBLAFNJTIXEBA-HUUCEWRRSA-N 2 1 230.355 2.213 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]21 ZINC000877741287 590409273 /nfs/dbraw/zinc/40/92/73/590409273.db2.gz AKBLAFNJTIXEBA-HUUCEWRRSA-N 2 1 230.355 2.213 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]21 ZINC000877741287 590409274 /nfs/dbraw/zinc/40/92/74/590409274.db2.gz AKBLAFNJTIXEBA-HUUCEWRRSA-N 2 1 230.355 2.213 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]21 ZINC000877741283 590409793 /nfs/dbraw/zinc/40/97/93/590409793.db2.gz AKBLAFNJTIXEBA-CABCVRRESA-N 2 1 230.355 2.213 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]21 ZINC000877741283 590409795 /nfs/dbraw/zinc/40/97/95/590409795.db2.gz AKBLAFNJTIXEBA-CABCVRRESA-N 2 1 230.355 2.213 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]21 ZINC000877741283 590409797 /nfs/dbraw/zinc/40/97/97/590409797.db2.gz AKBLAFNJTIXEBA-CABCVRRESA-N 2 1 230.355 2.213 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]21 ZINC000877741283 590409799 /nfs/dbraw/zinc/40/97/99/590409799.db2.gz AKBLAFNJTIXEBA-CABCVRRESA-N 2 1 230.355 2.213 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(C)(C)C)CC[C@H]21 ZINC000877743361 590410182 /nfs/dbraw/zinc/41/01/82/590410182.db2.gz VIQJSJHFHGUSRR-CHWSQXEVSA-N 2 1 224.392 2.449 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(C)(C)C)CC[C@H]21 ZINC000877743361 590410185 /nfs/dbraw/zinc/41/01/85/590410185.db2.gz VIQJSJHFHGUSRR-CHWSQXEVSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(C)(C)C)CC[C@H]21 ZINC000877743361 590410187 /nfs/dbraw/zinc/41/01/87/590410187.db2.gz VIQJSJHFHGUSRR-CHWSQXEVSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@H]21 ZINC000877743361 590410189 /nfs/dbraw/zinc/41/01/89/590410189.db2.gz VIQJSJHFHGUSRR-CHWSQXEVSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877744097 590410698 /nfs/dbraw/zinc/41/06/98/590410698.db2.gz ZSFGKLSXDKXYDK-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877744097 590410699 /nfs/dbraw/zinc/41/06/99/590410699.db2.gz ZSFGKLSXDKXYDK-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877744097 590410700 /nfs/dbraw/zinc/41/07/00/590410700.db2.gz ZSFGKLSXDKXYDK-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877744097 590410701 /nfs/dbraw/zinc/41/07/01/590410701.db2.gz ZSFGKLSXDKXYDK-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CC=CCC3)CC[C@H]21 ZINC000877744737 590413105 /nfs/dbraw/zinc/41/31/05/590413105.db2.gz XKIXHXYCAFRVAQ-RRFJBIMHSA-N 2 1 234.387 2.369 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CC=CCC3)CC[C@H]21 ZINC000877744737 590413108 /nfs/dbraw/zinc/41/31/08/590413108.db2.gz XKIXHXYCAFRVAQ-RRFJBIMHSA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CC=CCC3)CC[C@H]21 ZINC000877744737 590413111 /nfs/dbraw/zinc/41/31/11/590413111.db2.gz XKIXHXYCAFRVAQ-RRFJBIMHSA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CC=CCC3)CC[C@H]21 ZINC000877744737 590413113 /nfs/dbraw/zinc/41/31/13/590413113.db2.gz XKIXHXYCAFRVAQ-RRFJBIMHSA-N 2 1 234.387 2.369 20 0 BEADMP Cc1ccccc1OCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000127210555 590594271 /nfs/dbraw/zinc/59/42/71/590594271.db2.gz NFOWNJQPUDWWPD-ZIAGYGMSSA-N 2 1 248.370 2.043 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](OC)CC[C@@H]1C ZINC000879326836 590748320 /nfs/dbraw/zinc/74/83/20/590748320.db2.gz TZABLFFIELICBA-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](CC3CC(F)(F)C3)CC[C@@H]21 ZINC000879578443 590813558 /nfs/dbraw/zinc/81/35/58/590813558.db2.gz FECSQPDFZCCFPC-NEPJUHHUSA-N 2 1 244.329 2.058 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CC(F)(F)C3)CC[C@@H]21 ZINC000879578443 590813561 /nfs/dbraw/zinc/81/35/61/590813561.db2.gz FECSQPDFZCCFPC-NEPJUHHUSA-N 2 1 244.329 2.058 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CC(F)(F)C3)CC[C@@H]21 ZINC000879578443 590813563 /nfs/dbraw/zinc/81/35/63/590813563.db2.gz FECSQPDFZCCFPC-NEPJUHHUSA-N 2 1 244.329 2.058 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CC(F)(F)C3)CC[C@@H]21 ZINC000879578443 590813565 /nfs/dbraw/zinc/81/35/65/590813565.db2.gz FECSQPDFZCCFPC-NEPJUHHUSA-N 2 1 244.329 2.058 20 0 BEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](CF)C1 ZINC000880238142 590969188 /nfs/dbraw/zinc/96/91/88/590969188.db2.gz PUYPVAXUVFXARL-GFCCVEGCSA-N 2 1 239.338 2.034 20 0 BEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](CF)C1 ZINC000880238142 590969190 /nfs/dbraw/zinc/96/91/90/590969190.db2.gz PUYPVAXUVFXARL-GFCCVEGCSA-N 2 1 239.338 2.034 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CC2)CCN1c1cc[nH+]cc1 ZINC000880262964 590979897 /nfs/dbraw/zinc/97/98/97/590979897.db2.gz UPELAKCIZJIEFA-GFCCVEGCSA-N 2 1 231.343 2.002 20 0 BEADMP CC(C)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260380 590980081 /nfs/dbraw/zinc/98/00/81/590980081.db2.gz BYXRQBBJINCDFN-LBPRGKRZSA-N 2 1 219.332 2.001 20 0 BEADMP CC(C)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261079 590980125 /nfs/dbraw/zinc/98/01/25/590980125.db2.gz HVGCZWIWJRSAEF-ZDUSSCGKSA-N 2 1 233.359 2.248 20 0 BEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](CF)C1 ZINC000880295313 590989274 /nfs/dbraw/zinc/98/92/74/590989274.db2.gz JWBVFNTVTPONEU-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](CF)C1 ZINC000880295313 590989277 /nfs/dbraw/zinc/98/92/77/590989277.db2.gz JWBVFNTVTPONEU-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](CF)C1 ZINC000880295313 590989279 /nfs/dbraw/zinc/98/92/79/590989279.db2.gz JWBVFNTVTPONEU-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](CF)C1 ZINC000880298730 590992219 /nfs/dbraw/zinc/99/22/19/590992219.db2.gz JCLGAOYDOYBREA-LBPRGKRZSA-N 2 1 216.344 2.010 20 0 BEADMP CC1([NH+]2CCC2)CC[NH+](C[Si](C)(C)C)CC1 ZINC000880473140 591053300 /nfs/dbraw/zinc/05/33/00/591053300.db2.gz QHVYRLXTEDCBSD-UHFFFAOYSA-N 2 1 240.467 2.424 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C=CCC2)[C@@H]2CCC[C@@H]21 ZINC000883245587 591585632 /nfs/dbraw/zinc/58/56/32/591585632.db2.gz NYJLBENQQMZIOY-QPSCCSFWSA-N 2 1 234.387 2.415 20 0 BEADMP CCC[C@H](C)CC[NH2+]C1CC[NH+](C)CC1 ZINC000883251496 591593021 /nfs/dbraw/zinc/59/30/21/591593021.db2.gz QXRJQHXDPRCZEZ-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883424102 591658298 /nfs/dbraw/zinc/65/82/98/591658298.db2.gz GBEXPGHCUCBGQQ-TUAOUCFPSA-N 2 1 246.345 2.481 20 0 BEADMP C[C@@H]1C[N@H+](CC[C@H]2CCCC2(F)F)C[C@H]1[NH3+] ZINC000883430017 591661545 /nfs/dbraw/zinc/66/15/45/591661545.db2.gz LKRBPKBBQLJCIT-GMTAPVOTSA-N 2 1 232.318 2.091 20 0 BEADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCC2(F)F)C[C@H]1[NH3+] ZINC000883430017 591661547 /nfs/dbraw/zinc/66/15/47/591661547.db2.gz LKRBPKBBQLJCIT-GMTAPVOTSA-N 2 1 232.318 2.091 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@H]1CC(C)(C)OC1(C)C ZINC000883429845 591662134 /nfs/dbraw/zinc/66/21/34/591662134.db2.gz GFSTXTXNBNSZLP-TUAOUCFPSA-N 2 1 240.391 2.002 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])C1(CN)CCCCC1 ZINC000883455100 591672853 /nfs/dbraw/zinc/67/28/53/591672853.db2.gz TUGXKXFRKJATKQ-UHFFFAOYSA-N 2 1 241.423 2.099 20 0 BEADMP Cc1ccccc1OCC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000131970314 591680411 /nfs/dbraw/zinc/68/04/11/591680411.db2.gz BOKZDPXUVZSEBS-UONOGXRCSA-N 2 1 248.370 2.185 20 0 BEADMP C[N@H+]1CC[C@@]2(CC[NH+](CC[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC000886215557 592177863 /nfs/dbraw/zinc/17/78/63/592177863.db2.gz MQFQFQQYWYGVJX-OWCLPIDISA-N 2 1 248.414 2.450 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@H+](CC[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC000886215557 592177866 /nfs/dbraw/zinc/17/78/66/592177866.db2.gz MQFQFQQYWYGVJX-OWCLPIDISA-N 2 1 248.414 2.450 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC000886215557 592177867 /nfs/dbraw/zinc/17/78/67/592177867.db2.gz MQFQFQQYWYGVJX-OWCLPIDISA-N 2 1 248.414 2.450 20 0 BEADMP C[N@@H+]1CC[C@H]2C[NH+](CC[C@@H]3C[C@H]3C3CC3)CC[C@@H]21 ZINC000886310040 592205428 /nfs/dbraw/zinc/20/54/28/592205428.db2.gz CDPUMNHQOMHXGD-UGUYLWEFSA-N 2 1 248.414 2.449 20 0 BEADMP C[N@H+]1CC[C@H]2C[NH+](CC[C@@H]3C[C@H]3C3CC3)CC[C@@H]21 ZINC000886310040 592205430 /nfs/dbraw/zinc/20/54/30/592205430.db2.gz CDPUMNHQOMHXGD-UGUYLWEFSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](CC[C@@H]3C[C@H]3C3CC3)CC[C@@H]21 ZINC000886310040 592205432 /nfs/dbraw/zinc/20/54/32/592205432.db2.gz CDPUMNHQOMHXGD-UGUYLWEFSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](CC[C@@H]3C[C@H]3C3CC3)CC[C@@H]21 ZINC000886310040 592205433 /nfs/dbraw/zinc/20/54/33/592205433.db2.gz CDPUMNHQOMHXGD-UGUYLWEFSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+](CCF)[C@H]1CC[C@H]([N@@H+](C)CCF)CC1 ZINC000886389748 592222227 /nfs/dbraw/zinc/22/22/27/592222227.db2.gz WJGBMHJDAAJJPB-HAQNSBGRSA-N 2 1 234.334 2.100 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2(C3CC3)CCC2)CC[N@@H+]1C ZINC000886824893 592349144 /nfs/dbraw/zinc/34/91/44/592349144.db2.gz IVOOOJRNPFXOBV-DGCLKSJQSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2(C3CC3)CCC2)CC[N@H+]1C ZINC000886824893 592349148 /nfs/dbraw/zinc/34/91/48/592349148.db2.gz IVOOOJRNPFXOBV-DGCLKSJQSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1CC[N@@H+](CCOCC[NH3+])[C@@H]1c1ccccc1 ZINC000886858261 592369896 /nfs/dbraw/zinc/36/98/96/592369896.db2.gz UAJGODNDOHIWCP-HIFRSBDPSA-N 2 1 248.370 2.045 20 0 BEADMP C[C@H]1CC[N@@H+](CCOCC[NH3+])[C@H]1c1ccccc1 ZINC000886858260 592370400 /nfs/dbraw/zinc/37/04/00/592370400.db2.gz UAJGODNDOHIWCP-DZGCQCFKSA-N 2 1 248.370 2.045 20 0 BEADMP CC[C@@H](C)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886870196 592375036 /nfs/dbraw/zinc/37/50/36/592375036.db2.gz SFDLIPNFKVVMJK-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP CC[C@H](C)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886870195 592375521 /nfs/dbraw/zinc/37/55/21/592375521.db2.gz SFDLIPNFKVVMJK-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874851 592377067 /nfs/dbraw/zinc/37/70/67/592377067.db2.gz YFZVXTBWYFHQHT-QKPAOTATSA-N 2 1 248.414 2.498 20 0 BEADMP CC(C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887131182 592449509 /nfs/dbraw/zinc/44/95/09/592449509.db2.gz SCQXCLSYZFLMOY-GFCCVEGCSA-N 2 1 219.332 2.001 20 0 BEADMP CC[C@@](C)([NH2+]C[C@@H]([NH3+])CC(F)(F)F)C1CC1 ZINC001576961098 993469824 /nfs/dbraw/zinc/46/98/24/993469824.db2.gz RVKRKZPAJCDKDV-VHSXEESVSA-N 2 1 238.297 2.434 20 0 BEADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000299929716 634402443 /nfs/dbraw/zinc/40/24/43/634402443.db2.gz UOYWAFDNDQQOND-JSGCOSHPSA-N 2 1 245.370 2.000 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000299929716 634402454 /nfs/dbraw/zinc/40/24/54/634402454.db2.gz UOYWAFDNDQQOND-JSGCOSHPSA-N 2 1 245.370 2.000 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000925712319 634412127 /nfs/dbraw/zinc/41/21/27/634412127.db2.gz OOZTZZFSUXTEKW-FIQHERPVSA-N 2 1 248.773 2.421 20 0 BEADMP C[C@H]1CC[C@H](C)C1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000925712394 634414311 /nfs/dbraw/zinc/41/43/11/634414311.db2.gz UHWACPWZMRYHEK-RYUDHWBXSA-N 2 1 222.376 2.273 20 0 BEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000125546461 634539854 /nfs/dbraw/zinc/53/98/54/634539854.db2.gz LZXFCZHVMWBTOP-JTQLQIEISA-N 2 1 240.297 2.136 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)CC(F)F ZINC000925734554 634583991 /nfs/dbraw/zinc/58/39/91/634583991.db2.gz SLIBLENGGMCROX-VHSXEESVSA-N 2 1 234.334 2.398 20 0 BEADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCC=CO2)CC[N@@H+]1C ZINC000249032385 635685504 /nfs/dbraw/zinc/68/55/04/635685504.db2.gz LTZFFNQRJSVXTN-MGPQQGTHSA-N 2 1 238.375 2.094 20 0 BEADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCC=CO2)CC[N@H+]1C ZINC000249032385 635685508 /nfs/dbraw/zinc/68/55/08/635685508.db2.gz LTZFFNQRJSVXTN-MGPQQGTHSA-N 2 1 238.375 2.094 20 0 BEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCC=CO2)CC[NH+]1C ZINC000249032385 635685515 /nfs/dbraw/zinc/68/55/15/635685515.db2.gz LTZFFNQRJSVXTN-MGPQQGTHSA-N 2 1 238.375 2.094 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCC=CO2)CC[NH+]1C ZINC000249032385 635685518 /nfs/dbraw/zinc/68/55/18/635685518.db2.gz LTZFFNQRJSVXTN-MGPQQGTHSA-N 2 1 238.375 2.094 20 0 BEADMP C[N@@H+](CCC1CC1)C[C@]1(C)CCC[NH2+]C1 ZINC000308810327 631664152 /nfs/dbraw/zinc/66/41/52/631664152.db2.gz CCVVCUSVWSKDJS-CYBMUJFWSA-N 2 1 210.365 2.108 20 0 BEADMP CC[C@@H](c1ccccc1)[N@H+](C)C[C@@H](C)[NH3+] ZINC000309029871 631805013 /nfs/dbraw/zinc/80/50/13/631805013.db2.gz ASPUYPXYSGMAFD-YPMHNXCESA-N 2 1 206.333 2.417 20 0 BEADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](C)[NH3+] ZINC000309029871 631805014 /nfs/dbraw/zinc/80/50/14/631805014.db2.gz ASPUYPXYSGMAFD-YPMHNXCESA-N 2 1 206.333 2.417 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCC1(C)C ZINC000926421140 631965272 /nfs/dbraw/zinc/96/52/72/631965272.db2.gz LBWXKOSAVDAEPY-FXJUQPSGSA-N 2 1 222.376 2.105 20 0 BEADMP C[C@@H]1C[C@H](C[N@@H+](C)CC(C)(C)C)CC[NH2+]1 ZINC000235274159 632015757 /nfs/dbraw/zinc/01/57/57/632015757.db2.gz FCYPYXKPLZXTPS-VXGBXAGGSA-N 2 1 212.381 2.352 20 0 BEADMP Cc1cc(C)c(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c(C)c1 ZINC000235339438 632022311 /nfs/dbraw/zinc/02/23/11/632022311.db2.gz IRCJMUWLVDWJSC-HIFRSBDPSA-N 2 1 232.371 2.391 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c(C)c1 ZINC000235339438 632022314 /nfs/dbraw/zinc/02/23/14/632022314.db2.gz IRCJMUWLVDWJSC-HIFRSBDPSA-N 2 1 232.371 2.391 20 0 BEADMP COc1ccccc1/C=C/C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414792565 635818881 /nfs/dbraw/zinc/81/88/81/635818881.db2.gz JDDDHLBFTVZAAK-OWNNVSBGSA-N 2 1 248.370 2.281 20 0 BEADMP CC[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000251555192 632548592 /nfs/dbraw/zinc/54/85/92/632548592.db2.gz BHADWANLCZZVIL-QWHCGFSZSA-N 2 1 210.365 2.108 20 0 BEADMP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)co1 ZINC000252982647 632564455 /nfs/dbraw/zinc/56/44/55/632564455.db2.gz XIUDNNALRBGVMI-MGPQQGTHSA-N 2 1 234.343 2.290 20 0 BEADMP C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H](C[NH3+])C2)C1 ZINC000084344527 632637627 /nfs/dbraw/zinc/63/76/27/632637627.db2.gz KXQMSPQWDLBSJD-JHJVBQTASA-N 2 1 210.365 2.093 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2C)C1 ZINC000252439761 632645690 /nfs/dbraw/zinc/64/56/90/632645690.db2.gz SHRLFQISWGSLBP-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)[C@H]1CCCC[C@@H]1C ZINC000235547176 632781493 /nfs/dbraw/zinc/78/14/93/632781493.db2.gz OCIMHMAJFFCUSX-CRWXNKLISA-N 2 1 224.392 2.352 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](SC)C2)CC1 ZINC000168390755 633142846 /nfs/dbraw/zinc/14/28/46/633142846.db2.gz USWRPNYHXSBONF-CHWSQXEVSA-N 2 1 242.432 2.344 20 0 BEADMP Cc1cccc(F)c1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925523906 633897564 /nfs/dbraw/zinc/89/75/64/633897564.db2.gz OUAPNAGNWZRESA-ZIAGYGMSSA-N 2 1 248.345 2.494 20 0 BEADMP [NH3+]CCC[C@@H]([NH2+]Cc1ccon1)c1ccccc1 ZINC000925528731 633917938 /nfs/dbraw/zinc/91/79/38/633917938.db2.gz AALAZILKTBHXNL-CQSZACIVSA-N 2 1 245.326 2.244 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000925532183 633926275 /nfs/dbraw/zinc/92/62/75/633926275.db2.gz FARJYHSJRTUJEM-HIFRSBDPSA-N 2 1 244.382 2.448 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[C@@H]1C ZINC000309748623 634000621 /nfs/dbraw/zinc/00/06/21/634000621.db2.gz JXDNBIASXMYRPC-MDZLAQPJSA-N 2 1 221.348 2.216 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000925679316 634277616 /nfs/dbraw/zinc/27/76/16/634277616.db2.gz IURNGFFPXKTMBX-QWHCGFSZSA-N 2 1 247.386 2.089 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925689309 634306737 /nfs/dbraw/zinc/30/67/37/634306737.db2.gz CLOBDTVKHHOLEP-QNWHQSFQSA-N 2 1 210.365 2.151 20 0 BEADMP CSCCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931312362 634329857 /nfs/dbraw/zinc/32/98/57/634329857.db2.gz WKEXYHAKEQHEND-STQMWFEESA-N 2 1 242.432 2.013 20 0 BEADMP CSCCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931312361 634330316 /nfs/dbraw/zinc/33/03/16/634330316.db2.gz WKEXYHAKEQHEND-CHWSQXEVSA-N 2 1 242.432 2.013 20 0 BEADMP C[N@H+](CCc1cccc(F)c1)CC(C)(C)[NH3+] ZINC000258834806 635210143 /nfs/dbraw/zinc/21/01/43/635210143.db2.gz MNPSCJMZEJHMHU-UHFFFAOYSA-N 2 1 224.323 2.037 20 0 BEADMP C[N@@H+](CCc1cccc(F)c1)CC(C)(C)[NH3+] ZINC000258834806 635210149 /nfs/dbraw/zinc/21/01/49/635210149.db2.gz MNPSCJMZEJHMHU-UHFFFAOYSA-N 2 1 224.323 2.037 20 0 BEADMP CCc1ccc(CC[N@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000258857338 635213712 /nfs/dbraw/zinc/21/37/12/635213712.db2.gz YDTAUYIFUVLPBX-GFCCVEGCSA-N 2 1 220.360 2.071 20 0 BEADMP CCc1ccc(CC[N@@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000258857338 635213719 /nfs/dbraw/zinc/21/37/19/635213719.db2.gz YDTAUYIFUVLPBX-GFCCVEGCSA-N 2 1 220.360 2.071 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000094522062 635367350 /nfs/dbraw/zinc/36/73/50/635367350.db2.gz VJBMVZVMOBFTNT-ZDUSSCGKSA-N 2 1 230.355 2.345 20 0 BEADMP C[C@H]1CCC[C@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000928997895 636698110 /nfs/dbraw/zinc/69/81/10/636698110.db2.gz PBRSWLKYCIBWOR-ZQDZILKHSA-N 2 1 236.403 2.354 20 0 BEADMP C[NH+](C)CCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000151935575 636717985 /nfs/dbraw/zinc/71/79/85/636717985.db2.gz QUCUBPXVVAEFQZ-AWEZNQCLSA-N 2 1 236.334 2.354 20 0 BEADMP CCC[C@@H](C)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897621546 636826496 /nfs/dbraw/zinc/82/64/96/636826496.db2.gz HVZCBCHSXNRICU-HZSPNIEDSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[C@@H](C)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000897621546 636826500 /nfs/dbraw/zinc/82/65/00/636826500.db2.gz HVZCBCHSXNRICU-HZSPNIEDSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[C@@H](C)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000897621546 636826505 /nfs/dbraw/zinc/82/65/05/636826505.db2.gz HVZCBCHSXNRICU-HZSPNIEDSA-N 2 1 224.392 2.306 20 0 BEADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CC=CCC3)C[C@]2(C)C1 ZINC000897621939 636827575 /nfs/dbraw/zinc/82/75/75/636827575.db2.gz ZTRUHFCIUVKKDK-KFWWJZLASA-N 2 1 234.387 2.226 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CC=CCC3)C[C@]2(C)C1 ZINC000897621939 636827578 /nfs/dbraw/zinc/82/75/78/636827578.db2.gz ZTRUHFCIUVKKDK-KFWWJZLASA-N 2 1 234.387 2.226 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CC=CCC3)C[C@]2(C)C1 ZINC000897621939 636827583 /nfs/dbraw/zinc/82/75/83/636827583.db2.gz ZTRUHFCIUVKKDK-KFWWJZLASA-N 2 1 234.387 2.226 20 0 BEADMP CCO[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C)C[NH+](C)C ZINC000926960941 636973209 /nfs/dbraw/zinc/97/32/09/636973209.db2.gz HSKQWGIKXALPCN-BFHYXJOUSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])CC(C)(C)O1 ZINC000041681573 637017406 /nfs/dbraw/zinc/01/74/06/637017406.db2.gz RUDQWPYWCIAORB-LBPRGKRZSA-N 2 1 228.380 2.005 20 0 BEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC000054601955 637034875 /nfs/dbraw/zinc/03/48/75/637034875.db2.gz PENNOLDOASLXTQ-YHWZYXNKSA-N 2 1 208.349 2.131 20 0 BEADMP CCO[C@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000042425577 637243855 /nfs/dbraw/zinc/24/38/55/637243855.db2.gz CUSORLYUPGWVEM-AWEZNQCLSA-N 2 1 242.407 2.397 20 0 BEADMP CCCSC[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000903154472 637348704 /nfs/dbraw/zinc/34/87/04/637348704.db2.gz YRUHLVUBMRYNKT-LLVKDONJSA-N 2 1 241.404 2.084 20 0 BEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCc1cccc(F)c1)C2 ZINC000903841641 637385175 /nfs/dbraw/zinc/38/51/75/637385175.db2.gz YXKSLJXENFAEGE-CFVMTHIKSA-N 2 1 248.345 2.180 20 0 BEADMP C(C[N@H+]1CCC[C@@]12CC[NH2+]C2)C1CCCC1 ZINC000903866638 637386921 /nfs/dbraw/zinc/38/69/21/637386921.db2.gz WEABICYEYWRBDF-AWEZNQCLSA-N 2 1 222.376 2.395 20 0 BEADMP CCCCOc1ccc(C[NH2+]CC2([NH3+])CC2)cc1 ZINC000904448629 637413474 /nfs/dbraw/zinc/41/34/74/637413474.db2.gz AVEROKTYHIEKMO-UHFFFAOYSA-N 2 1 248.370 2.446 20 0 BEADMP Cc1cc(C[NH2+]CC2([NH3+])CC2)cc2cccnc12 ZINC000904449574 637414590 /nfs/dbraw/zinc/41/45/90/637414590.db2.gz KUBQXTMWCLBXFO-UHFFFAOYSA-N 2 1 241.338 2.124 20 0 BEADMP CSCC(C)(C)[NH2+]CC[NH2+]C(C)(C)C ZINC000904473722 637425173 /nfs/dbraw/zinc/42/51/73/637425173.db2.gz BSJFSBWHILPGFD-UHFFFAOYSA-N 2 1 218.410 2.106 20 0 BEADMP [NH3+]C1CC([NH2+]Cc2ccccc2OCC2CC2)C1 ZINC000906509560 638181537 /nfs/dbraw/zinc/18/15/37/638181537.db2.gz JMUDFUZFYFGHQL-UHFFFAOYSA-N 2 1 246.354 2.055 20 0 BEADMP C[C@@H]1C[C@@H]1C(N)=[NH+]OCC[C@@H]1CCCC[N@@H+]1C ZINC000906507125 638196418 /nfs/dbraw/zinc/19/64/18/638196418.db2.gz FJXVMQFQTHOCQL-WOPDTQHZSA-N 2 1 239.363 2.015 20 0 BEADMP C[C@@H]1C[C@@H]1C(N)=[NH+]OCC[C@@H]1CCCC[N@H+]1C ZINC000906507125 638196421 /nfs/dbraw/zinc/19/64/21/638196421.db2.gz FJXVMQFQTHOCQL-WOPDTQHZSA-N 2 1 239.363 2.015 20 0 BEADMP C[C@@H]1C[C@H]1C(N)=[NH+]OCC[C@H]1CCCC[N@@H+]1C ZINC000906507123 638196928 /nfs/dbraw/zinc/19/69/28/638196928.db2.gz FJXVMQFQTHOCQL-IJLUTSLNSA-N 2 1 239.363 2.015 20 0 BEADMP C[C@@H]1C[C@H]1C(N)=[NH+]OCC[C@H]1CCCC[N@H+]1C ZINC000906507123 638196933 /nfs/dbraw/zinc/19/69/33/638196933.db2.gz FJXVMQFQTHOCQL-IJLUTSLNSA-N 2 1 239.363 2.015 20 0 BEADMP CCCC[NH2+][C@@H](C)C[N@H+](C)CCCC ZINC000906530758 638198623 /nfs/dbraw/zinc/19/86/23/638198623.db2.gz BICIAHFHJWQAKK-LBPRGKRZSA-N 2 1 200.370 2.497 20 0 BEADMP CCCC[NH2+][C@@H](C)C[N@@H+](C)CCCC ZINC000906530758 638198628 /nfs/dbraw/zinc/19/86/28/638198628.db2.gz BICIAHFHJWQAKK-LBPRGKRZSA-N 2 1 200.370 2.497 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000930601076 639816990 /nfs/dbraw/zinc/81/69/90/639816990.db2.gz CUXQJJJZVWZYIP-ILXRZTDVSA-N 2 1 236.403 2.450 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000930601076 639816991 /nfs/dbraw/zinc/81/69/91/639816991.db2.gz CUXQJJJZVWZYIP-ILXRZTDVSA-N 2 1 236.403 2.450 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000930601076 639816992 /nfs/dbraw/zinc/81/69/92/639816992.db2.gz CUXQJJJZVWZYIP-ILXRZTDVSA-N 2 1 236.403 2.450 20 0 BEADMP CC1CC(C[NH2+]C(C)(C)C[NH+]2CCCC2)C1 ZINC000930676142 639857651 /nfs/dbraw/zinc/85/76/51/639857651.db2.gz KYLGVBCITNWPGV-UHFFFAOYSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@@H+]1C[C@@]2(C)CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC000931213535 640101991 /nfs/dbraw/zinc/10/19/91/640101991.db2.gz BKUDRQRPXYWSKT-IYBDPMFKSA-N 2 1 244.382 2.460 20 0 BEADMP C[N@H+]1C[C@@]2(C)CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC000931213535 640101996 /nfs/dbraw/zinc/10/19/96/640101996.db2.gz BKUDRQRPXYWSKT-IYBDPMFKSA-N 2 1 244.382 2.460 20 0 BEADMP C[N@@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000931213535 640101999 /nfs/dbraw/zinc/10/19/99/640101999.db2.gz BKUDRQRPXYWSKT-IYBDPMFKSA-N 2 1 244.382 2.460 20 0 BEADMP C[N@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000931213535 640102003 /nfs/dbraw/zinc/10/20/03/640102003.db2.gz BKUDRQRPXYWSKT-IYBDPMFKSA-N 2 1 244.382 2.460 20 0 BEADMP C[NH+]1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000931213535 640102006 /nfs/dbraw/zinc/10/20/06/640102006.db2.gz BKUDRQRPXYWSKT-IYBDPMFKSA-N 2 1 244.382 2.460 20 0 BEADMP C[NH+]1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000931213535 640102012 /nfs/dbraw/zinc/10/20/12/640102012.db2.gz BKUDRQRPXYWSKT-IYBDPMFKSA-N 2 1 244.382 2.460 20 0 BEADMP C[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000931213534 640105917 /nfs/dbraw/zinc/10/59/17/640105917.db2.gz BKUDRQRPXYWSKT-HZPDHXFCSA-N 2 1 244.382 2.460 20 0 BEADMP CCCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931306628 640138646 /nfs/dbraw/zinc/13/86/46/640138646.db2.gz LEIRHAUJBJPEDU-STQMWFEESA-N 2 1 210.365 2.060 20 0 BEADMP C[NH+]1C[C@@]2(C)C[NH+](C3CCCC3)C[C@]2(C)C1 ZINC000931310863 640145862 /nfs/dbraw/zinc/14/58/62/640145862.db2.gz IZNOKIMVGXBBAZ-KBPBESRZSA-N 2 1 222.376 2.203 20 0 BEADMP CN1C[C@]2(C)C[N@H+]([C@H]3C=CCCC3)C[C@]2(C)C1 ZINC000931310721 640148021 /nfs/dbraw/zinc/14/80/21/640148021.db2.gz MMEUWTRTHTYHIN-SOUVJXGZSA-N 2 1 234.387 2.369 20 0 BEADMP C[N@@H+]1C[C@]2(C)C[NH+]([C@H]3C=CCCC3)C[C@]2(C)C1 ZINC000931310721 640148026 /nfs/dbraw/zinc/14/80/26/640148026.db2.gz MMEUWTRTHTYHIN-SOUVJXGZSA-N 2 1 234.387 2.369 20 0 BEADMP C[N@H+]1C[C@]2(C)C[NH+]([C@H]3C=CCCC3)C[C@]2(C)C1 ZINC000931310721 640148029 /nfs/dbraw/zinc/14/80/29/640148029.db2.gz MMEUWTRTHTYHIN-SOUVJXGZSA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1C[C@]2(C)C[N@@H+]([C@H]3C=CCCC3)C[C@]2(C)C1 ZINC000931310721 640148033 /nfs/dbraw/zinc/14/80/33/640148033.db2.gz MMEUWTRTHTYHIN-SOUVJXGZSA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1C[C@]2(C)C[N@H+]([C@H]3C=CCCC3)C[C@]2(C)C1 ZINC000931310721 640148036 /nfs/dbraw/zinc/14/80/36/640148036.db2.gz MMEUWTRTHTYHIN-SOUVJXGZSA-N 2 1 234.387 2.369 20 0 BEADMP CC(C)=CC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931349640 640168135 /nfs/dbraw/zinc/16/81/35/640168135.db2.gz GCTCMNGFPXSORI-UHFFFAOYSA-N 2 1 210.365 2.369 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]2C1 ZINC000931432354 640198704 /nfs/dbraw/zinc/19/87/04/640198704.db2.gz NKZFYLHNWCBIIW-KGLIPLIRSA-N 2 1 248.345 2.209 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]2C1 ZINC000931432354 640198706 /nfs/dbraw/zinc/19/87/06/640198706.db2.gz NKZFYLHNWCBIIW-KGLIPLIRSA-N 2 1 248.345 2.209 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CC34CCC(CC3)C4)C[C@@H]2C1 ZINC000931437042 640202202 /nfs/dbraw/zinc/20/22/02/640202202.db2.gz MMQNSZPEGVYXON-FYRZTWFESA-N 2 1 248.414 2.450 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CC34CCC(CC3)C4)C[C@@H]2C1 ZINC000931437042 640202207 /nfs/dbraw/zinc/20/22/07/640202207.db2.gz MMQNSZPEGVYXON-FYRZTWFESA-N 2 1 248.414 2.450 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CC34CCC(CC3)C4)C[C@@H]2C1 ZINC000931437042 640202212 /nfs/dbraw/zinc/20/22/12/640202212.db2.gz MMQNSZPEGVYXON-FYRZTWFESA-N 2 1 248.414 2.450 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccsc3)C[C@@H]2C1 ZINC000931438814 640203518 /nfs/dbraw/zinc/20/35/18/640203518.db2.gz PNYBBUVZGQPLHK-OLZOCXBDSA-N 2 1 236.384 2.132 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2C1 ZINC000931438814 640203520 /nfs/dbraw/zinc/20/35/20/640203520.db2.gz PNYBBUVZGQPLHK-OLZOCXBDSA-N 2 1 236.384 2.132 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2C1 ZINC000931438814 640203524 /nfs/dbraw/zinc/20/35/24/640203524.db2.gz PNYBBUVZGQPLHK-OLZOCXBDSA-N 2 1 236.384 2.132 20 0 BEADMP CCC(CC)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931516664 640246726 /nfs/dbraw/zinc/24/67/26/640246726.db2.gz XIJDRZGYNJPEIX-UHFFFAOYSA-N 2 1 233.359 2.458 20 0 BEADMP CCC(CC)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931516664 640246731 /nfs/dbraw/zinc/24/67/31/640246731.db2.gz XIJDRZGYNJPEIX-UHFFFAOYSA-N 2 1 233.359 2.458 20 0 BEADMP CCCCC[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719499 640339485 /nfs/dbraw/zinc/33/94/85/640339485.db2.gz APJPTLVESDRWPK-OLZOCXBDSA-N 2 1 210.365 2.345 20 0 BEADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719499 640339486 /nfs/dbraw/zinc/33/94/86/640339486.db2.gz APJPTLVESDRWPK-OLZOCXBDSA-N 2 1 210.365 2.345 20 0 BEADMP CCCCC[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931719499 640339488 /nfs/dbraw/zinc/33/94/88/640339488.db2.gz APJPTLVESDRWPK-OLZOCXBDSA-N 2 1 210.365 2.345 20 0 BEADMP CCCCC[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931719499 640339491 /nfs/dbraw/zinc/33/94/91/640339491.db2.gz APJPTLVESDRWPK-OLZOCXBDSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@@H](C1CC1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000931764336 640356912 /nfs/dbraw/zinc/35/69/12/640356912.db2.gz PTIKMRHNJDXJOM-STQMWFEESA-N 2 1 245.370 2.391 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCCC2)C1 ZINC000163726817 640414078 /nfs/dbraw/zinc/41/40/78/640414078.db2.gz NQNZUNQUHXQBKY-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP CC[C@@H]1C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CCS1 ZINC000222152946 640457984 /nfs/dbraw/zinc/45/79/84/640457984.db2.gz AJRWQTOQBFZSTE-OLZOCXBDSA-N 2 1 242.432 2.204 20 0 BEADMP CSCC[C@@H](C)[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000156903975 640516655 /nfs/dbraw/zinc/51/66/55/640516655.db2.gz CITRJNVQDBHUGK-CHWSQXEVSA-N 2 1 244.448 2.450 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCc3ccccc3C2)C1 ZINC000165260916 640550615 /nfs/dbraw/zinc/55/06/15/640550615.db2.gz RUZUBDSFSWSDPX-SWLSCSKDSA-N 2 1 230.355 2.172 20 0 BEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccoc2)C1 ZINC000165419945 640576484 /nfs/dbraw/zinc/57/64/84/640576484.db2.gz UFLNYQDXASHFDT-CHWSQXEVSA-N 2 1 222.332 2.242 20 0 BEADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224195912 640602278 /nfs/dbraw/zinc/60/22/78/640602278.db2.gz DQIKBATVYWXJMY-JSGCOSHPSA-N 2 1 218.344 2.418 20 0 BEADMP C[N@H+]1C[C@@H]2C[NH+](CC34CCC(CC3)C4)C[C@]2(C)C1 ZINC000933732617 640752592 /nfs/dbraw/zinc/75/25/92/640752592.db2.gz UYWUMCISZCFJDO-FYRZTWFESA-N 2 1 248.414 2.450 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+](CC34CCC(CC3)C4)C[C@]2(C)C1 ZINC000933732617 640752596 /nfs/dbraw/zinc/75/25/96/640752596.db2.gz UYWUMCISZCFJDO-FYRZTWFESA-N 2 1 248.414 2.450 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](CC34CCC(CC3)C4)C[C@]2(C)C1 ZINC000933732617 640752600 /nfs/dbraw/zinc/75/26/00/640752600.db2.gz UYWUMCISZCFJDO-FYRZTWFESA-N 2 1 248.414 2.450 20 0 BEADMP C=C/C=C\CC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933734462 640759405 /nfs/dbraw/zinc/75/94/05/640759405.db2.gz QGZHAVSAPAARFQ-QJTIAFMVSA-N 2 1 220.360 2.002 20 0 BEADMP C=C/C=C\CC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933734462 640759408 /nfs/dbraw/zinc/75/94/08/640759408.db2.gz QGZHAVSAPAARFQ-QJTIAFMVSA-N 2 1 220.360 2.002 20 0 BEADMP C=C/C=C\CC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933734462 640759410 /nfs/dbraw/zinc/75/94/10/640759410.db2.gz QGZHAVSAPAARFQ-QJTIAFMVSA-N 2 1 220.360 2.002 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000227055712 640813683 /nfs/dbraw/zinc/81/36/83/640813683.db2.gz CNATUTXXMAPJHG-ZFWWWQNUSA-N 2 1 232.371 2.473 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227768182 640848124 /nfs/dbraw/zinc/84/81/24/640848124.db2.gz CNTOGWRHJYPMPP-AVGNSLFASA-N 2 1 212.381 2.339 20 0 BEADMP Cc1ccc(OCC[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000228202463 640866743 /nfs/dbraw/zinc/86/67/43/640866743.db2.gz LLBUTRIDTFBXIY-UONOGXRCSA-N 2 1 248.370 2.043 20 0 BEADMP CC[N@@H+](CC1CCC1)C[C@]1(C)CCC[NH2+]C1 ZINC000230321329 641047395 /nfs/dbraw/zinc/04/73/95/641047395.db2.gz RSZNYUIVEAMPQU-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@]1(C[N@H+]2CCSC(C)(C)CC2)CC[NH2+]C1 ZINC000231052900 641131784 /nfs/dbraw/zinc/13/17/84/641131784.db2.gz QGKIBKGZEVZAKE-CYBMUJFWSA-N 2 1 242.432 2.204 20 0 BEADMP COC(C)(C)CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000231026198 641133032 /nfs/dbraw/zinc/13/30/32/641133032.db2.gz QTJUNDPTUFDZHM-QWHCGFSZSA-N 2 1 240.391 2.018 20 0 BEADMP CSCC(C)(C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000934670617 641241201 /nfs/dbraw/zinc/24/12/01/641241201.db2.gz VGVLYHIYGXSJQK-LLVKDONJSA-N 2 1 230.421 2.202 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCC(C)(F)F)C1 ZINC000929637612 641382797 /nfs/dbraw/zinc/38/27/97/641382797.db2.gz LKHOCHGLGIKXTO-LLVKDONJSA-N 2 1 234.334 2.305 20 0 BEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)CC)C1 ZINC000190263573 641854759 /nfs/dbraw/zinc/85/47/59/641854759.db2.gz MFOKSQLPTMIQIS-CYBMUJFWSA-N 2 1 240.391 2.019 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)CC)C1 ZINC000190263573 641854761 /nfs/dbraw/zinc/85/47/61/641854761.db2.gz MFOKSQLPTMIQIS-CYBMUJFWSA-N 2 1 240.391 2.019 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)CC)C1 ZINC000190263573 641854763 /nfs/dbraw/zinc/85/47/63/641854763.db2.gz MFOKSQLPTMIQIS-CYBMUJFWSA-N 2 1 240.391 2.019 20 0 BEADMP CSC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000154215114 641982702 /nfs/dbraw/zinc/98/27/02/641982702.db2.gz LFTDLDLMKHMDRY-MNOVXSKESA-N 2 1 230.421 2.200 20 0 BEADMP CSC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000154215027 641982189 /nfs/dbraw/zinc/98/21/89/641982189.db2.gz LFTDLDLMKHMDRY-WDEREUQCSA-N 2 1 230.421 2.200 20 0 BEADMP CC(C)C[C@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000307814701 642315712 /nfs/dbraw/zinc/31/57/12/642315712.db2.gz LFTODWSNWCWBTB-CYBMUJFWSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)CC1CC1 ZINC000068947153 642813858 /nfs/dbraw/zinc/81/38/58/642813858.db2.gz WRIIXVKBDGGLKT-GFCCVEGCSA-N 2 1 210.365 2.108 20 0 BEADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC1CC1 ZINC000068947152 642814725 /nfs/dbraw/zinc/81/47/25/642814725.db2.gz WRIIXVKBDGGLKT-LBPRGKRZSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H]1CCC[N@H+](CC[NH2+]C(C)(C)C)CC1 ZINC000082489062 643327069 /nfs/dbraw/zinc/32/70/69/643327069.db2.gz MKMYYDZMCJRGPU-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC[NH2+]C(C)(C)C)CC1 ZINC000082489062 643327071 /nfs/dbraw/zinc/32/70/71/643327071.db2.gz MKMYYDZMCJRGPU-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP Cl/C=C\C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000846220064 643652368 /nfs/dbraw/zinc/65/23/68/643652368.db2.gz ABCIQJUHVCROQD-MEJFOKSDSA-N 2 1 242.794 2.451 20 0 BEADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245128 643658156 /nfs/dbraw/zinc/65/81/56/643658156.db2.gz DQIKBATVYWXJMY-OCCSQVGLSA-N 2 1 218.344 2.418 20 0 BEADMP CC1CCC([N@@H+](C)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000084385171 643659436 /nfs/dbraw/zinc/65/94/36/643659436.db2.gz NMUFDYLITGTMSI-MOKVOYLWSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CCCCC1 ZINC000085014351 643680079 /nfs/dbraw/zinc/68/00/79/643680079.db2.gz CBOBZULVAUMQFR-NEPJUHHUSA-N 2 1 210.365 2.378 20 0 BEADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC1CC1 ZINC000086573171 644152384 /nfs/dbraw/zinc/15/23/84/644152384.db2.gz PERDZYCTDAMQEP-AGUYFDCRSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[NH2+]C1 ZINC000086726783 644167138 /nfs/dbraw/zinc/16/71/38/644167138.db2.gz SZDLGWSWJSWCRM-PWSUYJOCSA-N 2 1 238.762 2.223 20 0 BEADMP CCCCCC[C@H](O)C[NH+]1CCC([NH2+]C)CC1 ZINC000923287620 644320291 /nfs/dbraw/zinc/32/02/91/644320291.db2.gz RNTITFNDJADZOG-AWEZNQCLSA-N 2 1 242.407 2.002 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+]1CC1CCC2(CC2)CC1 ZINC000923293165 644330663 /nfs/dbraw/zinc/33/06/63/644330663.db2.gz ONJHYJFHEFVLSR-CYBMUJFWSA-N 2 1 222.376 2.380 20 0 BEADMP [NH3+]C[C@H]1CCC[N@H+]1CC1CCC2(CC2)CC1 ZINC000923293165 644330668 /nfs/dbraw/zinc/33/06/68/644330668.db2.gz ONJHYJFHEFVLSR-CYBMUJFWSA-N 2 1 222.376 2.380 20 0 BEADMP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccon1 ZINC000923317163 644344496 /nfs/dbraw/zinc/34/44/96/644344496.db2.gz VFLZIMOTUCBYAL-YHWZYXNKSA-N 2 1 249.358 2.027 20 0 BEADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccon1 ZINC000923317163 644344512 /nfs/dbraw/zinc/34/45/12/644344512.db2.gz VFLZIMOTUCBYAL-YHWZYXNKSA-N 2 1 249.358 2.027 20 0 BEADMP C[C@]1(C[NH3+])CC[N@@H+](CCc2cccc(F)c2)C1 ZINC000923355024 644371194 /nfs/dbraw/zinc/37/11/94/644371194.db2.gz DUQQDSRXFZCPNO-CQSZACIVSA-N 2 1 236.334 2.039 20 0 BEADMP c1cncc([C@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)c1 ZINC000923383562 644395453 /nfs/dbraw/zinc/39/54/53/644395453.db2.gz KASPCZARRDINCO-AWEZNQCLSA-N 2 1 245.370 2.013 20 0 BEADMP C(C[NH2+]C1CC1)C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000083700362 644407376 /nfs/dbraw/zinc/40/73/76/644407376.db2.gz SAQRORBVPUHVOC-TZMCWYRMSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000084386250 644423439 /nfs/dbraw/zinc/42/34/39/644423439.db2.gz QWZKGKFWHLKVCX-AGIUHOORSA-N 2 1 210.365 2.106 20 0 BEADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cccs1 ZINC000084384763 644423905 /nfs/dbraw/zinc/42/39/05/644423905.db2.gz PMDYIFJVUQRDBD-NSHDSACASA-N 2 1 224.373 2.180 20 0 BEADMP [NH3+]CC[C@H]1CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000923482573 644459661 /nfs/dbraw/zinc/45/96/61/644459661.db2.gz RJKCTYCVPRIXOG-NHYWBVRUSA-N 2 1 248.345 2.484 20 0 BEADMP [NH3+]CC[C@H]1CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000923482574 644460150 /nfs/dbraw/zinc/46/01/50/644460150.db2.gz RJKCTYCVPRIXOG-XHDPSFHLSA-N 2 1 248.345 2.484 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923490972 644464860 /nfs/dbraw/zinc/46/48/60/644464860.db2.gz PLBHVZLLVNZGJM-OLZOCXBDSA-N 2 1 210.365 2.259 20 0 BEADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]2C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000923492889 644467540 /nfs/dbraw/zinc/46/75/40/644467540.db2.gz QZUBRFLZITWPMW-FDYHWXHSSA-N 2 1 224.392 2.338 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923499598 644472666 /nfs/dbraw/zinc/47/26/66/644472666.db2.gz TWWMEEUONJVDHO-JSGCOSHPSA-N 2 1 248.370 2.112 20 0 BEADMP C[C@H]1C[N@@H+](CCc2cccs2)CC[C@@H]1C[NH3+] ZINC000923497849 644472860 /nfs/dbraw/zinc/47/28/60/644472860.db2.gz MTEMXQLBVYMSRT-NWDGAFQWSA-N 2 1 238.400 2.207 20 0 BEADMP Cc1ccccc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923505106 644475770 /nfs/dbraw/zinc/47/57/70/644475770.db2.gz YMOLSVUNATYSFB-KBPBESRZSA-N 2 1 232.371 2.412 20 0 BEADMP c1ccc([C@H]2C[C@@H]2[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923515608 644479383 /nfs/dbraw/zinc/47/93/83/644479383.db2.gz IJRQFGTUUUPCHL-JJXSEGSLSA-N 2 1 242.366 2.084 20 0 BEADMP CC(C)C[C@@H](C)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522655 644486369 /nfs/dbraw/zinc/48/63/69/644486369.db2.gz XFCSFKOTGOBXHV-HZSPNIEDSA-N 2 1 224.392 2.210 20 0 BEADMP C1=CCC(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000923532354 644489202 /nfs/dbraw/zinc/48/92/02/644489202.db2.gz CLRADAHNNYPGII-CQSZACIVSA-N 2 1 220.360 2.171 20 0 BEADMP C[C@@]1(Cc2cccs2)CCC[N@H+]1CCN ZINC000923531783 644490099 /nfs/dbraw/zinc/49/00/99/644490099.db2.gz WBCGTUDDNZSVAY-LBPRGKRZSA-N 2 1 224.373 2.104 20 0 BEADMP C[C@@]1(Cc2cccs2)CCCN1CC[NH3+] ZINC000923531783 644490105 /nfs/dbraw/zinc/49/01/05/644490105.db2.gz WBCGTUDDNZSVAY-LBPRGKRZSA-N 2 1 224.373 2.104 20 0 BEADMP C[C@@]1(Cc2cccs2)CCC[N@@H+]1CC[NH3+] ZINC000923531783 644490113 /nfs/dbraw/zinc/49/01/13/644490113.db2.gz WBCGTUDDNZSVAY-LBPRGKRZSA-N 2 1 224.373 2.104 20 0 BEADMP C[C@@]1(Cc2cccs2)CCC[N@H+]1CC[NH3+] ZINC000923531783 644490119 /nfs/dbraw/zinc/49/01/19/644490119.db2.gz WBCGTUDDNZSVAY-LBPRGKRZSA-N 2 1 224.373 2.104 20 0 BEADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1F ZINC000089749194 644564713 /nfs/dbraw/zinc/56/47/13/644564713.db2.gz MHJPPKKOIWHZNJ-GFCCVEGCSA-N 2 1 236.334 2.257 20 0 BEADMP COc1ccc(C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000089749227 644565693 /nfs/dbraw/zinc/56/56/93/644565693.db2.gz OAMMWTLRRLWVRU-ZDUSSCGKSA-N 2 1 248.370 2.127 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000793241798 644802085 /nfs/dbraw/zinc/80/20/85/644802085.db2.gz XVQSRTDFIBTDLH-BFHYXJOUSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CCCCC2)CC[C@H]1C[NH3+] ZINC000251624979 644812971 /nfs/dbraw/zinc/81/29/71/644812971.db2.gz FCPMWKGCNOGEJL-OCCSQVGLSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@H]1C[N@@H+](CCc2cccc(F)c2)CC[C@H]1[NH3+] ZINC000251913656 644830635 /nfs/dbraw/zinc/83/06/35/644830635.db2.gz XJIIIDAGCBVIMP-SMDDNHRTSA-N 2 1 236.334 2.037 20 0 BEADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000415141988 644883532 /nfs/dbraw/zinc/88/35/32/644883532.db2.gz QFBKYCGTCAATEG-KGLIPLIRSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)CCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000415141707 644886790 /nfs/dbraw/zinc/88/67/90/644886790.db2.gz PVFQUILZVABVJT-CYBMUJFWSA-N 2 1 210.365 2.251 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000415141707 644886794 /nfs/dbraw/zinc/88/67/94/644886794.db2.gz PVFQUILZVABVJT-CYBMUJFWSA-N 2 1 210.365 2.251 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000415135604 644886818 /nfs/dbraw/zinc/88/68/18/644886818.db2.gz GJNRDVJHXIPHDI-STQMWFEESA-N 2 1 210.365 2.251 20 0 BEADMP C(C[N@H+]1CCC2(CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000304349934 644895152 /nfs/dbraw/zinc/89/51/52/644895152.db2.gz GIQALAPOGHJAQM-CYBMUJFWSA-N 2 1 222.376 2.252 20 0 BEADMP C[NH+](C)CCC[NH2+]Cc1cnc2ccccc2c1 ZINC000304863332 644937143 /nfs/dbraw/zinc/93/71/43/644937143.db2.gz LJEKBJFKJTVOHZ-UHFFFAOYSA-N 2 1 243.354 2.276 20 0 BEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ncco1 ZINC000926573491 645292445 /nfs/dbraw/zinc/29/24/45/645292445.db2.gz MFYUWURBPRLIMV-RYUDHWBXSA-N 2 1 237.347 2.057 20 0 BEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ncco1 ZINC000926573491 645292447 /nfs/dbraw/zinc/29/24/47/645292447.db2.gz MFYUWURBPRLIMV-RYUDHWBXSA-N 2 1 237.347 2.057 20 0 BEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ncco1 ZINC000926573390 645292481 /nfs/dbraw/zinc/29/24/81/645292481.db2.gz MFYUWURBPRLIMV-NWDGAFQWSA-N 2 1 237.347 2.057 20 0 BEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ncco1 ZINC000926573390 645292490 /nfs/dbraw/zinc/29/24/90/645292490.db2.gz MFYUWURBPRLIMV-NWDGAFQWSA-N 2 1 237.347 2.057 20 0 BEADMP C[NH+]1CCC([NH2+]CC[C@]2(C)C[C@@]2(F)Cl)CC1 ZINC000846037850 645389075 /nfs/dbraw/zinc/38/90/75/645389075.db2.gz MTOUADMJPGDVIO-NEPJUHHUSA-N 2 1 248.773 2.375 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCC12CC2 ZINC000926778895 645425749 /nfs/dbraw/zinc/42/57/49/645425749.db2.gz SOVARTYSYYKMMD-RBKKPWLPSA-N 2 1 234.387 2.249 20 0 BEADMP CCO[C@@H](C[NH2+][C@@H](C)CCC(C)C)C[NH+](C)C ZINC000926965938 645502313 /nfs/dbraw/zinc/50/23/13/645502313.db2.gz UENUSJXXURZGMP-KBPBESRZSA-N 2 1 244.423 2.367 20 0 BEADMP CCCC[C@@H](C)[NH2+]C[C@@H](C[NH+](C)C)OCC ZINC000926961629 645502994 /nfs/dbraw/zinc/50/29/94/645502994.db2.gz JTXXUQUPFFKDRP-OLZOCXBDSA-N 2 1 230.396 2.121 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@]23C[C@H]2CCC3)[C@H](C)C1 ZINC000927119011 645555288 /nfs/dbraw/zinc/55/52/88/645555288.db2.gz IOLOFGPWTKYOJT-TUVASFSCSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000924646781 646083493 /nfs/dbraw/zinc/08/34/93/646083493.db2.gz HGBYFLNIJIGYAC-COMQUAJESA-N 2 1 236.403 2.495 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CC=CCC1 ZINC000925438630 646283935 /nfs/dbraw/zinc/28/39/35/646283935.db2.gz ZHULRGWHZYREPX-WJLOJVBCSA-N 2 1 220.360 2.025 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000929791584 646321180 /nfs/dbraw/zinc/32/11/80/646321180.db2.gz UBGVYPLTJLJZAM-MCIONIFRSA-N 2 1 224.392 2.306 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000929791584 646321185 /nfs/dbraw/zinc/32/11/85/646321185.db2.gz UBGVYPLTJLJZAM-MCIONIFRSA-N 2 1 224.392 2.306 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000929791584 646321189 /nfs/dbraw/zinc/32/11/89/646321189.db2.gz UBGVYPLTJLJZAM-MCIONIFRSA-N 2 1 224.392 2.306 20 0 BEADMP C[C@@H]([NH3+])[C@@H]([NH2+]CC1CCOCC1)c1ccccc1 ZINC000925546365 646326939 /nfs/dbraw/zinc/32/69/39/646326939.db2.gz KHXIZYULRAQXMP-IUODEOHRSA-N 2 1 248.370 2.091 20 0 BEADMP C[C@H]([NH3+])[C@H]([NH2+]CC1CCOCC1)c1ccccc1 ZINC000925546367 646327037 /nfs/dbraw/zinc/32/70/37/646327037.db2.gz KHXIZYULRAQXMP-WFASDCNBSA-N 2 1 248.370 2.091 20 0 BEADMP CC(C)[N@@H+](C)CCN[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925560617 646336362 /nfs/dbraw/zinc/33/63/62/646336362.db2.gz WTBKTMLJXGEJFE-ZFWWWQNUSA-N 2 1 249.402 2.005 20 0 BEADMP C[C@H]([NH3+])[C@H]([NH2+]CCC1CC1)c1ccccc1 ZINC000925572672 646339318 /nfs/dbraw/zinc/33/93/18/646339318.db2.gz KNWSHNVEVMCDAF-FZMZJTMJSA-N 2 1 218.344 2.465 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1C[C@H]1Cc1ccccc1 ZINC000925572750 646339567 /nfs/dbraw/zinc/33/95/67/646339567.db2.gz NSFSRNITODYXPZ-UKMLZYKCSA-N 2 1 244.382 2.348 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1C[C@H]1Cc1ccccc1 ZINC000925572744 646339884 /nfs/dbraw/zinc/33/98/84/646339884.db2.gz NSFSRNITODYXPZ-DRPJVOAASA-N 2 1 244.382 2.348 20 0 BEADMP CC(C)(C)SCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925585421 646346180 /nfs/dbraw/zinc/34/61/80/646346180.db2.gz USKIRHMDEHQMQL-JTQLQIEISA-N 2 1 230.421 2.248 20 0 BEADMP c1coc(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000925612994 646362803 /nfs/dbraw/zinc/36/28/03/646362803.db2.gz WCNIQQNECOLLDO-CYBMUJFWSA-N 2 1 234.343 2.086 20 0 BEADMP C[C@@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccccc1 ZINC000925621708 646367253 /nfs/dbraw/zinc/36/72/53/646367253.db2.gz MGQDFPAPSYSTAQ-MDRZNBNDSA-N 2 1 242.366 2.334 20 0 BEADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccccc1 ZINC000925621709 646368375 /nfs/dbraw/zinc/36/83/75/646368375.db2.gz MGQDFPAPSYSTAQ-PVSUWSIZSA-N 2 1 242.366 2.334 20 0 BEADMP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H]1CCCCS1 ZINC000925636574 646379711 /nfs/dbraw/zinc/37/97/11/646379711.db2.gz YFPAHNUKKVNKGQ-RYUDHWBXSA-N 2 1 240.416 2.146 20 0 BEADMP FC1(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)CCC1 ZINC000925671298 646400686 /nfs/dbraw/zinc/40/06/86/646400686.db2.gz BWKXYBCFMKHMGV-LLVKDONJSA-N 2 1 226.339 2.143 20 0 BEADMP C[C@H]([NH3+])[C@@H]([NH2+]CCCCF)c1ccccc1 ZINC000925677326 646404150 /nfs/dbraw/zinc/40/41/50/646404150.db2.gz SYMKYRLXYSWNOA-WCQYABFASA-N 2 1 224.323 2.414 20 0 BEADMP C[C@@H]([NH3+])[C@@H]([NH2+]CCCCF)c1ccccc1 ZINC000925677325 646404750 /nfs/dbraw/zinc/40/47/50/646404750.db2.gz SYMKYRLXYSWNOA-DGCLKSJQSA-N 2 1 224.323 2.414 20 0 BEADMP C1[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)[C@@H]1C1CCC1 ZINC000925704144 646428589 /nfs/dbraw/zinc/42/85/89/646428589.db2.gz IJXOFMZNEYUYCW-XQQFMLRXSA-N 2 1 220.360 2.049 20 0 BEADMP C[C@@H]([NH3+])[C@@H](NCCCCCC[NH3+])c1ccccc1 ZINC000925713407 646439700 /nfs/dbraw/zinc/43/97/00/646439700.db2.gz RVWBYZXSLGEPPO-UKRRQHHQSA-N 2 1 249.402 2.184 20 0 BEADMP C[C@@H]([NH3+])[C@@H]([NH2+]CCCCCC[NH3+])c1ccccc1 ZINC000925713407 646439702 /nfs/dbraw/zinc/43/97/02/646439702.db2.gz RVWBYZXSLGEPPO-UKRRQHHQSA-N 3 1 249.402 2.184 20 0 BEADMP C[C@H]([NH2+]Cc1cscc1Cl)[C@H]1CC[NH2+]C1 ZINC000925769434 646467244 /nfs/dbraw/zinc/46/72/44/646467244.db2.gz CRDUXSNVNOPAAZ-IUCAKERBSA-N 2 1 244.791 2.489 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1F ZINC000925791410 646485510 /nfs/dbraw/zinc/48/55/10/646485510.db2.gz PDNFUKCOATZJRM-WOPDTQHZSA-N 2 1 236.334 2.332 20 0 BEADMP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccccn1 ZINC000925847851 646509146 /nfs/dbraw/zinc/50/91/46/646509146.db2.gz YXORMBZESRQQEH-BPLDGKMQSA-N 2 1 245.370 2.264 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1CCC=CCC1 ZINC000925879610 646529564 /nfs/dbraw/zinc/52/95/64/646529564.db2.gz AOCKOFQSPNGFEZ-TZMCWYRMSA-N 2 1 222.376 2.463 20 0 BEADMP C[C@@H]1C[N@@H+](CCCC(C)(F)F)C[C@H]1CC[NH3+] ZINC000723887072 711731238 /nfs/dbraw/zinc/73/12/38/711731238.db2.gz PWQNXFSGUCUIQY-GHMZBOCLSA-N 2 1 234.334 2.339 20 0 BEADMP CCC[N@@H+](CC1CC1)C[C@@H]1CCCC[NH2+]C1 ZINC000700235694 711988221 /nfs/dbraw/zinc/98/82/21/711988221.db2.gz CTEPTHAEBCGXGR-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP CC(C)C[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000703614536 712081025 /nfs/dbraw/zinc/08/10/25/712081025.db2.gz BNFCCMLWQUSDSD-XQQFMLRXSA-N 2 1 210.365 2.234 20 0 BEADMP CC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000706869936 712157502 /nfs/dbraw/zinc/15/75/02/712157502.db2.gz JAGNKBYUKFPVIV-YHWZYXNKSA-N 2 1 222.376 2.391 20 0 BEADMP CSC1CC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000706929183 712161371 /nfs/dbraw/zinc/16/13/71/712161371.db2.gz OTPLVKLXKORXCO-TUUUFIMRSA-N 2 1 240.416 2.097 20 0 BEADMP CSC1CC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000706927321 712161657 /nfs/dbraw/zinc/16/16/57/712161657.db2.gz GSQRQQHTWZHUQP-QCXCNERSSA-N 2 1 240.416 2.097 20 0 BEADMP CCC[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000708511934 712212076 /nfs/dbraw/zinc/21/20/76/712212076.db2.gz XCPLGCPFILZMHB-RDBSUJKOSA-N 2 1 224.392 2.354 20 0 BEADMP [NH3+]CCCCCCC[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711600628 712311756 /nfs/dbraw/zinc/31/17/56/712311756.db2.gz QBJFQXIIRJIYHI-BETUJISGSA-N 2 1 242.432 2.190 20 0 BEADMP C1=C[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000711721303 712322573 /nfs/dbraw/zinc/32/25/73/712322573.db2.gz ZLCRWUZHVPINAT-LBPRGKRZSA-N 2 1 220.360 2.169 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC000923479646 712334307 /nfs/dbraw/zinc/33/43/07/712334307.db2.gz AJLQUOZNWILBBY-SNVBAGLBSA-N 2 1 238.297 2.390 20 0 BEADMP CCCC[NH2+][C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000389845720 712397978 /nfs/dbraw/zinc/39/79/78/712397978.db2.gz NLJGVIOBMFUSKL-STQMWFEESA-N 2 1 212.381 2.497 20 0 BEADMP CCCC[NH2+][C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000389845720 712397979 /nfs/dbraw/zinc/39/79/79/712397979.db2.gz NLJGVIOBMFUSKL-STQMWFEESA-N 2 1 212.381 2.497 20 0 BEADMP C[N@H+](C[C@@H]1CCCC(C)(C)O1)[C@H](C[NH3+])C1CC1 ZINC000714373448 712484749 /nfs/dbraw/zinc/48/47/49/712484749.db2.gz CXAFSIVWBPHYQF-QWHCGFSZSA-N 2 1 240.391 2.003 20 0 BEADMP C[N@@H+](C[C@@H]1CCCC(C)(C)O1)[C@H](C[NH3+])C1CC1 ZINC000714373448 712484750 /nfs/dbraw/zinc/48/47/50/712484750.db2.gz CXAFSIVWBPHYQF-QWHCGFSZSA-N 2 1 240.391 2.003 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCS2)CC[N@H+]1C ZINC000715603375 712527856 /nfs/dbraw/zinc/52/78/56/712527856.db2.gz PZIIYVAFCABIHT-AGIUHOORSA-N 2 1 242.432 2.344 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccns1 ZINC000716045893 712548104 /nfs/dbraw/zinc/54/81/04/712548104.db2.gz FFIGPHDYTHLILG-WDEREUQCSA-N 2 1 239.388 2.136 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccns1 ZINC000716045893 712548105 /nfs/dbraw/zinc/54/81/05/712548105.db2.gz FFIGPHDYTHLILG-WDEREUQCSA-N 2 1 239.388 2.136 20 0 BEADMP CSCC[C@@H](C)[N@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000389676459 712689842 /nfs/dbraw/zinc/68/98/42/712689842.db2.gz CNOYPELEAQNNAW-BDAKNGLRSA-N 2 1 240.363 2.042 20 0 BEADMP CSCC[C@@H](C)[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000389676459 712689843 /nfs/dbraw/zinc/68/98/43/712689843.db2.gz CNOYPELEAQNNAW-BDAKNGLRSA-N 2 1 240.363 2.042 20 0 BEADMP CC[C@H]1[C@@H](C)CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717936761 712734775 /nfs/dbraw/zinc/73/47/75/712734775.db2.gz ZADJYYRMRJDQRX-RNJOBUHISA-N 2 1 210.365 2.234 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCC(C)(F)F)C1 ZINC000718569757 712775242 /nfs/dbraw/zinc/77/52/42/712775242.db2.gz HMUWOMKMJAXMFJ-NXEZZACHSA-N 2 1 220.307 2.091 20 0 BEADMP CC(F)(F)CCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000718583596 712775481 /nfs/dbraw/zinc/77/54/81/712775481.db2.gz LKURPOVDUQNLLF-AAEUAGOBSA-N 2 1 246.345 2.483 20 0 BEADMP COCC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000718662701 712776801 /nfs/dbraw/zinc/77/68/01/712776801.db2.gz AOJCHHBGBCNLRM-CHWSQXEVSA-N 2 1 242.407 2.121 20 0 BEADMP C(C1CCCCC1)[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000720901501 712876132 /nfs/dbraw/zinc/87/61/32/712876132.db2.gz CBAROVKYMBOSLS-UONOGXRCSA-N 2 1 222.376 2.393 20 0 BEADMP CC(C)[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC000252965020 1166760247 /nfs/dbraw/zinc/76/02/47/1166760247.db2.gz WWQYFFWTGKXLIQ-AGIUHOORSA-N 2 1 210.365 2.247 20 0 BEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H]2C)C1 ZINC000381531624 710651418 /nfs/dbraw/zinc/65/14/18/710651418.db2.gz ZIPXNWAKXMKKGR-MCIONIFRSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000723081857 710726554 /nfs/dbraw/zinc/72/65/54/710726554.db2.gz WPJIOWAVRJUGPP-FVCCEPFGSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@@H](C)C2)C[C@H]1[NH3+] ZINC000723469761 710727989 /nfs/dbraw/zinc/72/79/89/710727989.db2.gz IALMBPNPHJGOON-FDYHWXHSSA-N 2 1 210.365 2.092 20 0 BEADMP CC(C)C(C)(C)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396702594 710907102 /nfs/dbraw/zinc/90/71/02/710907102.db2.gz NKUNETCQWUAKTB-RYUDHWBXSA-N 2 1 212.381 2.399 20 0 BEADMP CC1(C)C[N@@H+](CCCCCCC[NH3+])CCCO1 ZINC000384019367 710987970 /nfs/dbraw/zinc/98/79/70/710987970.db2.gz PQAJHBWHZWFSGQ-UHFFFAOYSA-N 2 1 242.407 2.397 20 0 BEADMP C[C@H]([N@@H+](C)CCC[NH2+]C1CC1)C1(C)CC1 ZINC000385301950 711009756 /nfs/dbraw/zinc/00/97/56/711009756.db2.gz NCWRSOBUHYJHEI-NSHDSACASA-N 2 1 210.365 2.249 20 0 BEADMP CC[N@@H+](CCC1CC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000385490481 711012693 /nfs/dbraw/zinc/01/26/93/711012693.db2.gz DZLNRYNRNUWMHW-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)[C@H]1C ZINC000380702824 712902530 /nfs/dbraw/zinc/90/25/30/712902530.db2.gz XSIZJJVEFUAALL-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP CC1(C)C[N@H+](CCC2CCCC2)C[C@H]1[NH3+] ZINC000388085855 711052185 /nfs/dbraw/zinc/05/21/85/711052185.db2.gz PQNJKBVVVSDXMM-GFCCVEGCSA-N 2 1 210.365 2.236 20 0 BEADMP CC1(C)C[N@@H+](CCC2CCCC2)C[C@H]1[NH3+] ZINC000388085855 711052191 /nfs/dbraw/zinc/05/21/91/711052191.db2.gz PQNJKBVVVSDXMM-GFCCVEGCSA-N 2 1 210.365 2.236 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@H]1C ZINC000389844911 711092510 /nfs/dbraw/zinc/09/25/10/711092510.db2.gz MNTPQYDAEIMLRD-UPJWGTAASA-N 2 1 212.381 2.495 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@H]1C ZINC000389844911 711092515 /nfs/dbraw/zinc/09/25/15/711092515.db2.gz MNTPQYDAEIMLRD-UPJWGTAASA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCC(C)(F)F ZINC000390075491 711104589 /nfs/dbraw/zinc/10/45/89/711104589.db2.gz SMNJGKDMCGNMTO-VHSXEESVSA-N 2 1 220.307 2.233 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCC(C)(F)F ZINC000390075490 711104951 /nfs/dbraw/zinc/10/49/51/711104951.db2.gz SMNJGKDMCGNMTO-UWVGGRQHSA-N 2 1 220.307 2.233 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H]1C ZINC000393604695 711164932 /nfs/dbraw/zinc/16/49/32/711164932.db2.gz CHSCZDAYULEIEB-AGIUHOORSA-N 2 1 210.365 2.249 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H]1C ZINC000393604695 711164938 /nfs/dbraw/zinc/16/49/38/711164938.db2.gz CHSCZDAYULEIEB-AGIUHOORSA-N 2 1 210.365 2.249 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]1C ZINC000393604698 711165118 /nfs/dbraw/zinc/16/51/18/711165118.db2.gz CHSCZDAYULEIEB-RWMBFGLXSA-N 2 1 210.365 2.249 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]1C ZINC000393604698 711165119 /nfs/dbraw/zinc/16/51/19/711165119.db2.gz CHSCZDAYULEIEB-RWMBFGLXSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCC(F)(F)F ZINC000396615730 711360790 /nfs/dbraw/zinc/36/07/90/711360790.db2.gz GEPNKVHGGKTQNG-DTWKUNHWSA-N 2 1 224.270 2.059 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000396547194 711353056 /nfs/dbraw/zinc/35/30/56/711353056.db2.gz CPTWGGJXMBRUDG-SMDDNHRTSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000396552651 711353229 /nfs/dbraw/zinc/35/32/29/711353229.db2.gz PHEQUDJHQQWQSG-HIFRSBDPSA-N 2 1 232.371 2.349 20 0 BEADMP Cc1cccc(CC[NH2+][C@H]2CCC[NH2+][C@H]2C)c1 ZINC000396535810 711353586 /nfs/dbraw/zinc/35/35/86/711353586.db2.gz JBOYDGQXQJCTQS-ZFWWWQNUSA-N 2 1 232.371 2.268 20 0 BEADMP Cc1cccc(CC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000396535808 711353609 /nfs/dbraw/zinc/35/36/09/711353609.db2.gz JBOYDGQXQJCTQS-UKRRQHHQSA-N 2 1 232.371 2.268 20 0 BEADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000396639697 711356754 /nfs/dbraw/zinc/35/67/54/711356754.db2.gz ASLQSMCBKMZZBS-NDBYEHHHSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000396605738 711358527 /nfs/dbraw/zinc/35/85/27/711358527.db2.gz ZCBMXIFYUPHKHP-SMDDNHRTSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000396605731 711359591 /nfs/dbraw/zinc/35/95/91/711359591.db2.gz ZCBMXIFYUPHKHP-BXUZGUMPSA-N 2 1 236.334 2.098 20 0 BEADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000399143541 711421788 /nfs/dbraw/zinc/42/17/88/711421788.db2.gz CNVXJPQJMMCOLJ-LPEHRKFASA-N 2 1 220.307 2.089 20 0 BEADMP CC[C@@]1(C)CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000399386793 711428742 /nfs/dbraw/zinc/42/87/42/711428742.db2.gz RJOVBKCXQDLUER-ZDUSSCGKSA-N 2 1 210.365 2.251 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000723081858 710725988 /nfs/dbraw/zinc/72/59/88/710725988.db2.gz WPJIOWAVRJUGPP-NDBYEHHHSA-N 2 1 210.365 2.092 20 0 BEADMP CC[C@H]1[C@H](C)CC[N@H+]1CCC[NH2+]C1CC1 ZINC000383629486 710984968 /nfs/dbraw/zinc/98/49/68/710984968.db2.gz VPBUXESKMDTAMC-YPMHNXCESA-N 2 1 210.365 2.249 20 0 BEADMP CCCC[NH2+][C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000389845449 711091149 /nfs/dbraw/zinc/09/11/49/711091149.db2.gz NLJGVIOBMFUSKL-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP CCCC[NH2+][C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000389845449 711091145 /nfs/dbraw/zinc/09/11/45/711091145.db2.gz NLJGVIOBMFUSKL-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCSC(C)(C)C ZINC000397268827 711380602 /nfs/dbraw/zinc/38/06/02/711380602.db2.gz MVMHFZZJTDCBQU-QWRGUYRKSA-N 2 1 230.421 2.248 20 0 BEADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCC2CC2)C[C@@H]1C[NH3+] ZINC000397476380 711384537 /nfs/dbraw/zinc/38/45/37/711384537.db2.gz HFQJAQPCDHNTBE-BZPMIXESSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000712495603 711449657 /nfs/dbraw/zinc/44/96/57/711449657.db2.gz POHYQIRAUXRQPZ-MBJXGIAVSA-N 2 1 222.376 2.295 20 0 BEADMP C=C/C=C/CC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000713734693 711494449 /nfs/dbraw/zinc/49/44/49/711494449.db2.gz LGWNHINBKOSNGU-OOPCZODUSA-N 2 1 208.349 2.322 20 0 BEADMP CCOc1ccccc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723669044 711533405 /nfs/dbraw/zinc/53/34/05/711533405.db2.gz FJSJYSWVDNVTLT-CYBMUJFWSA-N 2 1 248.370 2.256 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1F ZINC000723668761 711533515 /nfs/dbraw/zinc/53/35/15/711533515.db2.gz BUGPODAMVMEUAG-LBPRGKRZSA-N 2 1 236.334 2.305 20 0 BEADMP CCOc1cccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000723690147 711533686 /nfs/dbraw/zinc/53/36/86/711533686.db2.gz MLQPVVYUKPPMGI-CYBMUJFWSA-N 2 1 248.370 2.256 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2cccs2)C[C@H]1CC[NH3+] ZINC000723910184 711544997 /nfs/dbraw/zinc/54/49/97/711544997.db2.gz SYBMHUZCHZUTEJ-GHMZBOCLSA-N 2 1 224.373 2.165 20 0 BEADMP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000723902691 711545125 /nfs/dbraw/zinc/54/51/25/711545125.db2.gz YPPHTUCGDWFZNT-TZMCWYRMSA-N 2 1 248.370 2.112 20 0 BEADMP CO[C@H]1CC[C@H]1[N@@H+](C)CCCCCCC[NH3+] ZINC000724205274 711569629 /nfs/dbraw/zinc/56/96/29/711569629.db2.gz ADUPICYPVHOILN-OLZOCXBDSA-N 2 1 228.380 2.005 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000396596496 711702762 /nfs/dbraw/zinc/70/27/62/711702762.db2.gz FOHWFRNSAWKEFG-WCQYABFASA-N 2 1 222.376 2.297 20 0 BEADMP CC1(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)CCC1 ZINC000335264580 711721694 /nfs/dbraw/zinc/72/16/94/711721694.db2.gz ALUMBUXBZRXUTN-ZDUSSCGKSA-N 2 1 208.349 2.005 20 0 BEADMP CC1(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)CCC1 ZINC000335264580 711721696 /nfs/dbraw/zinc/72/16/96/711721696.db2.gz ALUMBUXBZRXUTN-ZDUSSCGKSA-N 2 1 208.349 2.005 20 0 BEADMP CC[C@@H]1C[C@@H](C)C[N@H+]1CCC[NH2+]C1CC1 ZINC000399137194 711744336 /nfs/dbraw/zinc/74/43/36/711744336.db2.gz XPEFBDVWXYJPFC-DGCLKSJQSA-N 2 1 210.365 2.249 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]C2CC(SC)C2)[C@@H](C)C1 ZINC000925170343 711786474 /nfs/dbraw/zinc/78/64/74/711786474.db2.gz MPAZCTVLTBBWCJ-YWPUVAFDSA-N 2 1 242.432 2.200 20 0 BEADMP COC[C@@H](C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)C(C)C ZINC000721959949 711948465 /nfs/dbraw/zinc/94/84/65/711948465.db2.gz IVTUIRIOILTHJF-ZIAGYGMSSA-N 2 1 244.423 2.210 20 0 BEADMP C[C@H](C[N@H+]1CCCO[C@H](C[NH3+])C1)CC(C)(C)C ZINC000709179887 711978045 /nfs/dbraw/zinc/97/80/45/711978045.db2.gz VCHZTLBBVNVQNA-QWHCGFSZSA-N 2 1 242.407 2.108 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC2(C)C)CC[N@H+]1C ZINC000701980773 712034302 /nfs/dbraw/zinc/03/43/02/712034302.db2.gz JZWZZYPDMXUBJA-BZPMIXESSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC1CCCCC1)C2 ZINC000702048612 712037284 /nfs/dbraw/zinc/03/72/84/712037284.db2.gz KLNBRFYFRSPVIK-UONOGXRCSA-N 2 1 222.376 2.108 20 0 BEADMP C[C@@H]1CCCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000703201469 712067585 /nfs/dbraw/zinc/06/75/85/712067585.db2.gz IMMSKIBAOKVUFT-UPJWGTAASA-N 2 1 210.365 2.236 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(C)c1 ZINC000703589372 712079661 /nfs/dbraw/zinc/07/96/61/712079661.db2.gz KYIWLIUBKLZHMJ-JKSUJKDBSA-N 2 1 244.382 2.345 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1C ZINC000703589322 712079826 /nfs/dbraw/zinc/07/98/26/712079826.db2.gz JLLPGJZNBDQFSW-JKSUJKDBSA-N 2 1 244.382 2.345 20 0 BEADMP CC(C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000703614662 712081092 /nfs/dbraw/zinc/08/10/92/712081092.db2.gz CZJUEZCJNPMPLZ-RWMBFGLXSA-N 2 1 210.365 2.092 20 0 BEADMP CC[N@@H+](C[C@@H]1CCCC[NH2+]C1)C1CCC1 ZINC000706816823 712156641 /nfs/dbraw/zinc/15/66/41/712156641.db2.gz HKCPHYICHHWDAU-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP CC1(C)CO[C@@H](C[N@@H+]2CCCCC[C@H]([NH3+])C2)C1 ZINC000708337911 712189386 /nfs/dbraw/zinc/18/93/86/712189386.db2.gz QAWJTSAPKBPNFJ-QWHCGFSZSA-N 2 1 240.391 2.005 20 0 BEADMP CC1(C)CO[C@@H](C[N@H+]2CCCCC[C@H]([NH3+])C2)C1 ZINC000708337911 712189388 /nfs/dbraw/zinc/18/93/88/712189388.db2.gz QAWJTSAPKBPNFJ-QWHCGFSZSA-N 2 1 240.391 2.005 20 0 BEADMP CC(C)[C@H]1C[N@@H+](CCCCCCC[NH3+])CCO1 ZINC000709019472 712206250 /nfs/dbraw/zinc/20/62/50/712206250.db2.gz MQJCIZOTSARXET-CQSZACIVSA-N 2 1 242.407 2.252 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H]1CC(C)(C)OC1(C)C ZINC000709702652 712216003 /nfs/dbraw/zinc/21/60/03/712216003.db2.gz NXZQOMFRXGFNOB-WOPDTQHZSA-N 2 1 240.391 2.002 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H]1CC(C)(C)OC1(C)C ZINC000709702652 712216004 /nfs/dbraw/zinc/21/60/04/712216004.db2.gz NXZQOMFRXGFNOB-WOPDTQHZSA-N 2 1 240.391 2.002 20 0 BEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCc1ccccc1)C2 ZINC000709835804 712229225 /nfs/dbraw/zinc/22/92/25/712229225.db2.gz LVORWJBLWHUUOT-ZNMIVQPWSA-N 2 1 230.355 2.041 20 0 BEADMP C(CC1CC1)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709848318 712229250 /nfs/dbraw/zinc/22/92/50/712229250.db2.gz GUVBKSGKYGRATG-CQSZACIVSA-N 2 1 222.376 2.252 20 0 BEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCC1CCC1)C2 ZINC000709871475 712230593 /nfs/dbraw/zinc/23/05/93/712230593.db2.gz NCSOHPNHDYUAMD-IHRRRGAJSA-N 2 1 222.376 2.378 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709922214 712233706 /nfs/dbraw/zinc/23/37/06/712233706.db2.gz YXYDQIAUGGXVQD-AWEZNQCLSA-N 2 1 222.376 2.418 20 0 BEADMP Cc1ccncc1C[N@@H+](C)CCCCCC[NH3+] ZINC000710715152 712255745 /nfs/dbraw/zinc/25/57/45/712255745.db2.gz ZQTZAPVKSRCOLY-UHFFFAOYSA-N 2 1 235.375 2.341 20 0 BEADMP C[C@H]1CC[C@@H](C[N@@H+](C)CCCCCC[NH3+])O1 ZINC000710749652 712256649 /nfs/dbraw/zinc/25/66/49/712256649.db2.gz IZTPWNCMKOAYQK-STQMWFEESA-N 2 1 228.380 2.005 20 0 BEADMP Cc1cc(N(C)CCCCCC[NH3+])nc(C)[nH+]1 ZINC000710798692 712257323 /nfs/dbraw/zinc/25/73/23/712257323.db2.gz MDBWVMAGQFBYRG-UHFFFAOYSA-N 2 1 236.363 2.049 20 0 BEADMP C[C@@H]1CCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000710945047 712267107 /nfs/dbraw/zinc/26/71/07/712267107.db2.gz UWRHUJWSRSWKCQ-SNVBAGLBSA-N 2 1 236.384 2.378 20 0 BEADMP FC[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000711444807 712300536 /nfs/dbraw/zinc/30/05/36/712300536.db2.gz RBAGMAGMPGNHIT-OLZOCXBDSA-N 2 1 228.355 2.058 20 0 BEADMP FC[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000711454914 712304334 /nfs/dbraw/zinc/30/43/34/712304334.db2.gz OSCAFIMHHZXQCK-CYBMUJFWSA-N 2 1 228.355 2.058 20 0 BEADMP FC[C@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000711507111 712308226 /nfs/dbraw/zinc/30/82/26/712308226.db2.gz IHLARTCAIRHOIB-CPIKKWJDSA-N 2 1 240.366 2.199 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](CCCc2ccsc2)C1 ZINC000923479839 712334710 /nfs/dbraw/zinc/33/47/10/712334710.db2.gz DGNWBVRJDZWJCM-GFCCVEGCSA-N 2 1 238.400 2.351 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)CC[N@H+]1C ZINC000712636113 712439195 /nfs/dbraw/zinc/43/91/95/712439195.db2.gz HBGVIVXLDJKQNZ-ATGSNQNLSA-N 2 1 236.403 2.495 20 0 BEADMP C=C/C=C\CC[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000713736308 712470375 /nfs/dbraw/zinc/47/03/75/712470375.db2.gz TVYVSJCCSZIGSK-FWWRYZNZSA-N 2 1 210.365 2.424 20 0 BEADMP C=C/C=C/CC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000713734691 712470397 /nfs/dbraw/zinc/47/03/97/712470397.db2.gz LGWNHINBKOSNGU-ITDFMYJTSA-N 2 1 208.349 2.322 20 0 BEADMP C=C/C=C\CC[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000713737166 712470785 /nfs/dbraw/zinc/47/07/85/712470785.db2.gz ZSNTWEOBNXZUKP-ZFDPJTLLSA-N 2 1 208.349 2.050 20 0 BEADMP C=C/C=C/CC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000713735225 712470821 /nfs/dbraw/zinc/47/08/21/712470821.db2.gz NIMNBNQVYKRJBF-QITAHTHBSA-N 2 1 208.349 2.035 20 0 BEADMP C=C/C=C\CC[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000713757105 712471810 /nfs/dbraw/zinc/47/18/10/712471810.db2.gz FPZHTRUUYRGFLX-WZQADMAKSA-N 2 1 248.292 2.188 20 0 BEADMP C[N@@H+](C[C@H]1CCCC(C)(C)O1)C1CC[NH2+]CC1 ZINC000714374255 712484417 /nfs/dbraw/zinc/48/44/17/712484417.db2.gz HMRRHXYLSGQGMW-CYBMUJFWSA-N 2 1 240.391 2.018 20 0 BEADMP CC[C@@H]1C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)CC[C@@H]1[NH3+] ZINC000714813020 712498346 /nfs/dbraw/zinc/49/83/46/712498346.db2.gz RZKKEVAVSHJDMS-RZFFKMDDSA-N 2 1 236.403 2.482 20 0 BEADMP C(C[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2)[C@@H]1C[C@H]1C1CC1 ZINC000714800099 712498369 /nfs/dbraw/zinc/49/83/69/712498369.db2.gz KOGIXAAFAGOMIN-KBXIAJHMSA-N 2 1 234.387 2.249 20 0 BEADMP C[C@H]1CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@@H]1C[NH3+] ZINC000714918428 712499887 /nfs/dbraw/zinc/49/98/87/712499887.db2.gz CSIHCHRKEMKQOI-ATGSNQNLSA-N 2 1 236.403 2.339 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714835775 712501306 /nfs/dbraw/zinc/50/13/06/712501306.db2.gz YYAJOPGHISXIEK-NGFQHRJXSA-N 2 1 236.403 2.482 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)Cc2ccco2)CC1 ZINC000036993517 712527340 /nfs/dbraw/zinc/52/73/40/712527340.db2.gz DHSUNQQAKSIKMZ-GFCCVEGCSA-N 2 1 236.359 2.285 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCCC1CC1 ZINC000716369083 712556861 /nfs/dbraw/zinc/55/68/61/712556861.db2.gz FBJCKZAGVQRQFD-DGCLKSJQSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000716585102 712564536 /nfs/dbraw/zinc/56/45/36/712564536.db2.gz RHPSWZASMPNWOJ-LWGJEFJTSA-N 2 1 236.403 2.351 20 0 BEADMP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000716531536 712567280 /nfs/dbraw/zinc/56/72/80/712567280.db2.gz NNEWQJMOCXHZIH-HUXGKSLCSA-N 2 1 222.376 2.009 20 0 BEADMP CCC[N@H+](C/C=C/Cl)C1CC[NH2+]CC1 ZINC000037469606 712642802 /nfs/dbraw/zinc/64/28/02/712642802.db2.gz VPODXHRJTQCVTK-ZZXKWVIFSA-N 2 1 216.756 2.203 20 0 BEADMP CCC[N@@H+](C/C=C/Cl)C1CC[NH2+]CC1 ZINC000037469606 712642803 /nfs/dbraw/zinc/64/28/03/712642803.db2.gz VPODXHRJTQCVTK-ZZXKWVIFSA-N 2 1 216.756 2.203 20 0 BEADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1ccsc1 ZINC000717310710 712646442 /nfs/dbraw/zinc/64/64/42/712646442.db2.gz ULSZIBKQCCKNCF-JTQLQIEISA-N 2 1 246.326 2.083 20 0 BEADMP CC[N@@H+]1CCC[C@H]1C[NH2+]CCC(C)(C)C ZINC000037488841 712651186 /nfs/dbraw/zinc/65/11/86/712651186.db2.gz ZDHRNANXRMTENY-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CC[N@H+]1CCC[C@H]1C[NH2+]CCC(C)(C)C ZINC000037488841 712651187 /nfs/dbraw/zinc/65/11/87/712651187.db2.gz ZDHRNANXRMTENY-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CC(C)C[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000717963209 712736094 /nfs/dbraw/zinc/73/60/94/712736094.db2.gz SUQVWHLKUYOVHV-MCIONIFRSA-N 2 1 224.392 2.482 20 0 BEADMP C[NH+]1CCC([NH2+]C2CCC=CCC2)CC1 ZINC000718065997 712740690 /nfs/dbraw/zinc/74/06/90/712740690.db2.gz GFOICBNEHJZSAO-UHFFFAOYSA-N 2 1 208.349 2.169 20 0 BEADMP C[C@@H]([NH2+]CC[NH3+])c1ccc2ccccc2c1 ZINC000037712389 712744947 /nfs/dbraw/zinc/74/49/47/712744947.db2.gz PJXONENKPSVFOR-LLVKDONJSA-N 2 1 214.312 2.449 20 0 BEADMP CC1(C)[C@H]([NH2+]Cc2cnc(Cl)s2)C[C@@H]1[NH3+] ZINC000718213351 712754498 /nfs/dbraw/zinc/75/44/98/712754498.db2.gz ALIHYBBTXKWMDS-JGVFFNPUSA-N 2 1 245.779 2.012 20 0 BEADMP CC(F)(F)CCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000718568315 712774462 /nfs/dbraw/zinc/77/44/62/712774462.db2.gz ATBKWNAMVPEMSP-LLVKDONJSA-N 2 1 234.334 2.483 20 0 BEADMP CC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1OC ZINC000038041077 712801194 /nfs/dbraw/zinc/80/11/94/712801194.db2.gz TVPCHWGAAATTMA-CQSZACIVSA-N 2 1 248.370 2.488 20 0 BEADMP C[C@@H]1CCC[C@@H](C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000720795158 712865723 /nfs/dbraw/zinc/86/57/23/712865723.db2.gz MVRIKWFWDWIGGG-APIJFGDWSA-N 2 1 236.403 2.354 20 0 BEADMP CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000720901603 712876218 /nfs/dbraw/zinc/87/62/18/712876218.db2.gz CKLAFZYKKUYKRT-MELADBBJSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000720901603 712876221 /nfs/dbraw/zinc/87/62/21/712876221.db2.gz CKLAFZYKKUYKRT-MELADBBJSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CCCC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208607296 957092174 /nfs/dbraw/zinc/09/21/74/957092174.db2.gz LHZBQFMSYMRETG-ZIAGYGMSSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@@H]1CCCC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208607296 957092184 /nfs/dbraw/zinc/09/21/84/957092184.db2.gz LHZBQFMSYMRETG-ZIAGYGMSSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@@H]1CCCC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208607296 957092192 /nfs/dbraw/zinc/09/21/92/957092192.db2.gz LHZBQFMSYMRETG-ZIAGYGMSSA-N 2 1 224.392 2.450 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@]3(CC3(F)F)C2)C1 ZINC001208608036 957094130 /nfs/dbraw/zinc/09/41/30/957094130.db2.gz FFWLNUVBWLTUMV-RYUDHWBXSA-N 2 1 244.329 2.059 20 0 BEADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@]3(CC3(F)F)C2)C1 ZINC001208608036 957094144 /nfs/dbraw/zinc/09/41/44/957094144.db2.gz FFWLNUVBWLTUMV-RYUDHWBXSA-N 2 1 244.329 2.059 20 0 BEADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@]3(CC3(F)F)C2)C1 ZINC001208608036 957094159 /nfs/dbraw/zinc/09/41/59/957094159.db2.gz FFWLNUVBWLTUMV-RYUDHWBXSA-N 2 1 244.329 2.059 20 0 BEADMP Cc1cc(C)[nH+]c(N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC001164631612 719152407 /nfs/dbraw/zinc/15/24/07/719152407.db2.gz NZGZRMVTMDNIGN-QWHCGFSZSA-N 2 1 233.359 2.227 20 0 BEADMP Cc1cc(C)[nH+]c(N2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC001164631612 719152410 /nfs/dbraw/zinc/15/24/10/719152410.db2.gz NZGZRMVTMDNIGN-QWHCGFSZSA-N 2 1 233.359 2.227 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc2[nH]ccc2c[nH+]1 ZINC001164633106 719162379 /nfs/dbraw/zinc/16/23/79/719162379.db2.gz GQCPUZRVXALSJZ-GHMZBOCLSA-N 2 1 244.342 2.092 20 0 BEADMP C[C@@H]1CC[C@H]([NH+]2CCC3(CCC3)CC2)C[NH2+]1 ZINC000399017861 958480102 /nfs/dbraw/zinc/48/01/02/958480102.db2.gz GHJFKOIRFIDCJA-OLZOCXBDSA-N 2 1 222.376 2.393 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C2(Cl)CC2)C1 ZINC000695635917 960311828 /nfs/dbraw/zinc/31/18/28/960311828.db2.gz DVDWPICQYNDOAZ-RYUDHWBXSA-N 2 1 244.810 2.468 20 0 BEADMP [NH2+]=C(Nc1ccc2ccoc2c1)SCC[NH3+] ZINC001167914746 961827212 /nfs/dbraw/zinc/82/72/12/961827212.db2.gz PHWOGCCGKUATOS-UHFFFAOYSA-N 2 1 235.312 2.471 20 0 BEADMP C[C@@]1([NH3+])CCC[N@@H+](CCC2CCCC2)C1 ZINC001204937559 962081995 /nfs/dbraw/zinc/08/19/95/962081995.db2.gz DVYAZEYOKCOSPL-CYBMUJFWSA-N 2 1 210.365 2.380 20 0 BEADMP CC(C)[N@@H+](C)C1CC[NH+](CC2CC2)CC1 ZINC001168370971 964934332 /nfs/dbraw/zinc/93/43/32/964934332.db2.gz JERHWEPPDBVGEZ-UHFFFAOYSA-N 2 1 210.365 2.201 20 0 BEADMP CC(C)[C@H]1CCC[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000084127033 966926893 /nfs/dbraw/zinc/92/68/93/966926893.db2.gz IWKCFUXWOQMEID-ZIAGYGMSSA-N 2 1 224.392 2.497 20 0 BEADMP CCC(=O)C(C)(C)C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205256828 967443047 /nfs/dbraw/zinc/44/30/47/967443047.db2.gz QMTRJWYXBMMASJ-AWEZNQCLSA-N 2 1 240.391 2.195 20 0 BEADMP [NH3+]CCCC[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000082790927 1166080329 /nfs/dbraw/zinc/08/03/29/1166080329.db2.gz NCJJYMLSVRAJJR-UHFFFAOYSA-N 2 1 238.762 2.437 20 0 BEADMP C[C@H]1C[N@@H+](CC(C)(C)C[NH+](C)C)C2(CC2)C1 ZINC001207288286 968718235 /nfs/dbraw/zinc/71/82/35/968718235.db2.gz MXLHNWUUZHPEEF-GFCCVEGCSA-N 2 1 224.392 2.449 20 0 BEADMP C1C[C@@H]2[C@@H](C1)CCC[N@@H+]2[C@@H]1CCC[NH2+]C1 ZINC000083701103 1166115231 /nfs/dbraw/zinc/11/52/31/1166115231.db2.gz DBLMOVNQZLUWJV-YNEHKIRRSA-N 2 1 208.349 2.003 20 0 BEADMP Cc1cc(C)nc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000723877360 1166146139 /nfs/dbraw/zinc/14/61/39/1166146139.db2.gz TXKJBHIIYJTLGV-JSGCOSHPSA-N 2 1 247.386 2.115 20 0 BEADMP CC[C@H](C)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253196561 1166230075 /nfs/dbraw/zinc/23/00/75/1166230075.db2.gz SWOANKSCHUHPSS-QNWHQSFQSA-N 2 1 212.381 2.338 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CCC3(CC3)C2)CC1 ZINC001208592435 969147664 /nfs/dbraw/zinc/14/76/64/969147664.db2.gz HSWUPGXFHDGVHO-UHFFFAOYSA-N 2 1 222.376 2.204 20 0 BEADMP CC[N@@H+](CC1CC[NH+](CC)CC1)C1CC1 ZINC001208596018 969150761 /nfs/dbraw/zinc/15/07/61/969150761.db2.gz ZITUXJIADVOROM-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001208595503 969150788 /nfs/dbraw/zinc/15/07/88/969150788.db2.gz UWZYUOWSPKPYGF-CYBMUJFWSA-N 2 1 224.392 2.450 20 0 BEADMP CCCC[N@H+](CC)C[C@@H]1CCC[NH+](C)C1 ZINC001208603894 969154236 /nfs/dbraw/zinc/15/42/36/969154236.db2.gz IDTDRPGLEUAWHH-CYBMUJFWSA-N 2 1 212.381 2.450 20 0 BEADMP CCCC[N@@H+](CC)C[C@@H]1CCC[NH+](C)C1 ZINC001208603894 969154243 /nfs/dbraw/zinc/15/42/43/969154243.db2.gz IDTDRPGLEUAWHH-CYBMUJFWSA-N 2 1 212.381 2.450 20 0 BEADMP CCCC[NH+](CC)C[C@@H]1CCC[N@H+](C)C1 ZINC001208603894 969154247 /nfs/dbraw/zinc/15/42/47/969154247.db2.gz IDTDRPGLEUAWHH-CYBMUJFWSA-N 2 1 212.381 2.450 20 0 BEADMP CCCC[NH+](CC)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208603894 969154254 /nfs/dbraw/zinc/15/42/54/969154254.db2.gz IDTDRPGLEUAWHH-CYBMUJFWSA-N 2 1 212.381 2.450 20 0 BEADMP CCC[NH+](CCC)C[C@@H]1CCC[N@H+](C)C1 ZINC001208603299 969154844 /nfs/dbraw/zinc/15/48/44/969154844.db2.gz ANNCERQUMUJMHV-CYBMUJFWSA-N 2 1 212.381 2.450 20 0 BEADMP CCC[NH+](CCC)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208603299 969154849 /nfs/dbraw/zinc/15/48/49/969154849.db2.gz ANNCERQUMUJMHV-CYBMUJFWSA-N 2 1 212.381 2.450 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@H](F)CC2)C1 ZINC001208608849 969163191 /nfs/dbraw/zinc/16/31/91/969163191.db2.gz XCVFBYCEANEECL-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@H](F)CC2)C1 ZINC001208608849 969163196 /nfs/dbraw/zinc/16/31/96/969163196.db2.gz XCVFBYCEANEECL-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@H](F)CC2)C1 ZINC001208608849 969163201 /nfs/dbraw/zinc/16/32/01/969163201.db2.gz XCVFBYCEANEECL-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP CSC1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208608005 969161916 /nfs/dbraw/zinc/16/19/16/969161916.db2.gz FAZZEKWGUOECHP-GFCCVEGCSA-N 2 1 242.432 2.156 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@](C)(CF)C2)C1 ZINC001208607257 969166563 /nfs/dbraw/zinc/16/65/63/969166563.db2.gz KXMLWNWMGAYRBL-CHWSQXEVSA-N 2 1 228.355 2.010 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@](C)(CF)C2)C1 ZINC001208607257 969166567 /nfs/dbraw/zinc/16/65/67/969166567.db2.gz KXMLWNWMGAYRBL-CHWSQXEVSA-N 2 1 228.355 2.010 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@](C)(CF)C2)C1 ZINC001208607257 969166571 /nfs/dbraw/zinc/16/65/71/969166571.db2.gz KXMLWNWMGAYRBL-CHWSQXEVSA-N 2 1 228.355 2.010 20 0 BEADMP CC[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208609592 969171622 /nfs/dbraw/zinc/17/16/22/969171622.db2.gz UXLGVDQAVFHIOF-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208609592 969171626 /nfs/dbraw/zinc/17/16/26/969171626.db2.gz UXLGVDQAVFHIOF-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@@H]1CCC[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC001208609592 969171632 /nfs/dbraw/zinc/17/16/32/969171632.db2.gz UXLGVDQAVFHIOF-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@@H]1CCC[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC001208609592 969171634 /nfs/dbraw/zinc/17/16/34/969171634.db2.gz UXLGVDQAVFHIOF-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+]1CCC[C@H](C[N@@H+](CC2CC2)C2CC2)C1 ZINC001208619665 969174741 /nfs/dbraw/zinc/17/47/41/969174741.db2.gz YVMVYKQSVMZYTM-ZDUSSCGKSA-N 2 1 222.376 2.203 20 0 BEADMP CC[N@@H+](C)C1CC[NH+](CCC2CC2)CC1 ZINC001208687284 969196056 /nfs/dbraw/zinc/19/60/56/969196056.db2.gz SBBUTCXKCCQUSD-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP [NH3+]C[C@@H]1CC[N@H+]([C@H]2CCc3c2cccc3F)C1 ZINC000250219185 1166304827 /nfs/dbraw/zinc/30/48/27/1166304827.db2.gz RCZIRNLHDVEKAT-HZMBPMFUSA-N 2 1 234.318 2.094 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)C[C@@H](C)C1 ZINC000299921310 1166333106 /nfs/dbraw/zinc/33/31/06/1166333106.db2.gz PTIXQQFTQWEXDV-SEBNEYGDSA-N 2 1 236.403 2.495 20 0 BEADMP CC(C)OCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169098409 969388744 /nfs/dbraw/zinc/38/87/44/969388744.db2.gz HPIIGXYXKKDYJQ-BTTYYORXSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]1CC[C@H](n2c[nH+]cc2CC[NH3+])C[C@H]1C ZINC000253138220 1166383979 /nfs/dbraw/zinc/38/39/79/1166383979.db2.gz VBFOLEQOLMWKQJ-UTUOFQBUSA-N 2 1 221.348 2.382 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(C)CCC1)C2 ZINC001169091846 969410284 /nfs/dbraw/zinc/41/02/84/969410284.db2.gz WDPWZMMFRQNXNS-CLLJXQQHSA-N 2 1 222.376 2.391 20 0 BEADMP CC[NH+](C1CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169125777 969425933 /nfs/dbraw/zinc/42/59/33/969425933.db2.gz LENVIXQTYZSONT-CLLJXQQHSA-N 2 1 208.349 2.096 20 0 BEADMP CC[NH+](C1CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125777 969425940 /nfs/dbraw/zinc/42/59/40/969425940.db2.gz LENVIXQTYZSONT-CLLJXQQHSA-N 2 1 208.349 2.096 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)nc1C ZINC000405459092 1166416569 /nfs/dbraw/zinc/41/65/69/1166416569.db2.gz IIPCNQVIWLMIQV-ZIAGYGMSSA-N 2 1 245.370 2.058 20 0 BEADMP C[C@]1(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)CC[NH2+]C1 ZINC000250793549 1166430007 /nfs/dbraw/zinc/43/00/07/1166430007.db2.gz KRKXMBZXTGFWRU-ILXRZTDVSA-N 2 1 236.403 2.498 20 0 BEADMP CC[NH+]1CCC([N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001169261193 969546194 /nfs/dbraw/zinc/54/61/94/969546194.db2.gz COGMJGNCZWRSPO-BETUJISGSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C)[nH]1 ZINC001209575923 969562570 /nfs/dbraw/zinc/56/25/70/969562570.db2.gz OUGPRTWKDGTCGL-UHFFFAOYSA-N 2 1 237.391 2.487 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)[nH]1 ZINC001209575923 969562572 /nfs/dbraw/zinc/56/25/72/969562572.db2.gz OUGPRTWKDGTCGL-UHFFFAOYSA-N 2 1 237.391 2.487 20 0 BEADMP C[N@@H+]1CCC[C@H]([NH+]2CCC[C@](C)(F)C2)CC1 ZINC001254516155 969689604 /nfs/dbraw/zinc/68/96/04/969689604.db2.gz JGJREURBUPRARP-STQMWFEESA-N 2 1 228.355 2.295 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@](C)(F)C2)CC1 ZINC001254516155 969689610 /nfs/dbraw/zinc/68/96/10/969689610.db2.gz JGJREURBUPRARP-STQMWFEESA-N 2 1 228.355 2.295 20 0 BEADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@](C)(F)C2)CC1 ZINC001254516155 969689619 /nfs/dbraw/zinc/68/96/19/969689619.db2.gz JGJREURBUPRARP-STQMWFEESA-N 2 1 228.355 2.295 20 0 BEADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@](C)(F)C2)CC1 ZINC001254516155 969689622 /nfs/dbraw/zinc/68/96/22/969689622.db2.gz JGJREURBUPRARP-STQMWFEESA-N 2 1 228.355 2.295 20 0 BEADMP C[NH+](CC1CCC1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254522189 969706445 /nfs/dbraw/zinc/70/64/45/969706445.db2.gz DOBKPESONSXYBD-ZDUSSCGKSA-N 2 1 210.365 2.203 20 0 BEADMP C[N@@H+](CCC1CC1)[C@H]1CCC[NH+](C)CC1 ZINC001254530569 969729811 /nfs/dbraw/zinc/72/98/11/969729811.db2.gz YSAYPVWCOHNUFA-ZDUSSCGKSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+](CCC1CC1)[C@H]1CCC[N@H+](C)CC1 ZINC001254530569 969729818 /nfs/dbraw/zinc/72/98/18/969729818.db2.gz YSAYPVWCOHNUFA-ZDUSSCGKSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+](CCC1CC1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254530569 969729829 /nfs/dbraw/zinc/72/98/29/969729829.db2.gz YSAYPVWCOHNUFA-ZDUSSCGKSA-N 2 1 210.365 2.203 20 0 BEADMP C(=C\C1CC1)\C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000378861344 1166563562 /nfs/dbraw/zinc/56/35/62/1166563562.db2.gz QVVGXEKHXSEPPN-DJQANFQHSA-N 2 1 220.360 2.169 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CC(F)(F)C2)CC[NH2+]1 ZINC000394748724 1166614088 /nfs/dbraw/zinc/61/40/88/1166614088.db2.gz ZMYXJFDBTQJAJP-KOLCDFICSA-N 2 1 232.318 2.104 20 0 BEADMP C[C@H]1CC[C@H]([N@@H+](C)C2CCN(C)CC2)C1 ZINC001170124227 970369736 /nfs/dbraw/zinc/36/97/36/970369736.db2.gz FVPPQXYIYHLJOA-AAEUAGOBSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1CC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255674978 970450829 /nfs/dbraw/zinc/45/08/29/970450829.db2.gz WLSKMFRFNQGOEX-HABKJSAYSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@@H]1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255674978 970450835 /nfs/dbraw/zinc/45/08/35/970450835.db2.gz WLSKMFRFNQGOEX-HABKJSAYSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@@H]1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255674978 970450843 /nfs/dbraw/zinc/45/08/43/970450843.db2.gz WLSKMFRFNQGOEX-HABKJSAYSA-N 2 1 222.376 2.344 20 0 BEADMP CC[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000252968676 1166774102 /nfs/dbraw/zinc/77/41/02/1166774102.db2.gz YSHLPAJQSFDQCS-UPJWGTAASA-N 2 1 210.365 2.249 20 0 BEADMP CCC[N@@H+](C)[C@@H](C)CC[NH+](CC)CC ZINC001255955461 970587415 /nfs/dbraw/zinc/58/74/15/970587415.db2.gz UMHBMVILJJPYNZ-LBPRGKRZSA-N 2 1 200.370 2.449 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H]1COC ZINC001255957623 970593086 /nfs/dbraw/zinc/59/30/86/970593086.db2.gz SYATXVJECNJJDJ-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP CCO[C@@H]1CC[N@H+]([C@@H](C)CC[NH+](CC)CC)C1 ZINC001255973105 970609526 /nfs/dbraw/zinc/60/95/26/970609526.db2.gz XPVOLAREKKECFG-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP C[C@@H]1CCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073223 970643352 /nfs/dbraw/zinc/64/33/52/970643352.db2.gz PCTKIUWIOIVBDN-GFCCVEGCSA-N 2 1 222.376 2.345 20 0 BEADMP C[C@@H]1CCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073223 970643358 /nfs/dbraw/zinc/64/33/58/970643358.db2.gz PCTKIUWIOIVBDN-GFCCVEGCSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC([N@H+]2CC[C@@H]3CCC[C@@H]3C2)CC1 ZINC001256205056 970700155 /nfs/dbraw/zinc/70/01/55/970700155.db2.gz VKGULSPKSARELR-QWHCGFSZSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC([NH+]2C[C@H]3CCCC[C@@H]3C2)CC1 ZINC001256202565 970701209 /nfs/dbraw/zinc/70/12/09/970701209.db2.gz GYVRTCOSCBRMNK-CHWSQXEVSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1C[C@@H](C)CC[N@@H+]1C1CCN(C)CC1 ZINC001256207263 970713718 /nfs/dbraw/zinc/71/37/18/970713718.db2.gz FNLVBRDAKALFDE-NWDGAFQWSA-N 2 1 210.365 2.201 20 0 BEADMP CC[NH+](CC)C1CCC([N@@H+](C)CCOC)CC1 ZINC001173108418 975024128 /nfs/dbraw/zinc/02/41/28/975024128.db2.gz JWIGMSUCJYWLME-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP C[N@@H+](C1CC1)C1CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167956817 1167018581 /nfs/dbraw/zinc/01/85/81/1167018581.db2.gz UPCOIZNDHZWMHK-JJLQDPRZSA-N 2 1 234.387 2.344 20 0 BEADMP CCSC[C@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001173302522 975203899 /nfs/dbraw/zinc/20/38/99/975203899.db2.gz SPVKOJDMMAJKLF-XQQFMLRXSA-N 2 1 242.432 2.012 20 0 BEADMP CCSC[C@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001173302522 975203918 /nfs/dbraw/zinc/20/39/18/975203918.db2.gz SPVKOJDMMAJKLF-XQQFMLRXSA-N 2 1 242.432 2.012 20 0 BEADMP CCSC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001173302522 975203929 /nfs/dbraw/zinc/20/39/29/975203929.db2.gz SPVKOJDMMAJKLF-XQQFMLRXSA-N 2 1 242.432 2.012 20 0 BEADMP [NH3+]CCCO[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000211333626 1167067079 /nfs/dbraw/zinc/06/70/79/1167067079.db2.gz LJGCIXLPUZYBJN-HNNXBMFYSA-N 2 1 248.370 2.016 20 0 BEADMP C[NH2+]CC[C@@H]1CCCC[N@H+]1CC1CC(F)(F)C1 ZINC000383126544 1167115029 /nfs/dbraw/zinc/11/50/29/1167115029.db2.gz HLKUDBLIBDMXMJ-LBPRGKRZSA-N 2 1 246.345 2.496 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C[C@@H]1C ZINC000310463323 1167157118 /nfs/dbraw/zinc/15/71/18/1167157118.db2.gz YNNCZNPMVCRISH-DBWOOVFOSA-N 2 1 236.403 2.480 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C1CCC(C)(C)CC1 ZINC000308855081 1167208061 /nfs/dbraw/zinc/20/80/61/1167208061.db2.gz SRSQMWVBWWBHAH-ZYHUDNBSSA-N 2 1 210.365 2.377 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000309348288 1167293690 /nfs/dbraw/zinc/29/36/90/1167293690.db2.gz MTYKLAZXLVDAAH-VEDUHTKKSA-N 2 1 222.376 2.247 20 0 BEADMP CC[C@H](C)[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001175444507 977432608 /nfs/dbraw/zinc/43/26/08/977432608.db2.gz KTFCDPKJMPUJNT-XUXIUFHCSA-N 2 1 224.392 2.447 20 0 BEADMP C[C@H](C[NH3+])C[N@@H+](C)C1C[C@H](C)C[C@@H](C)C1 ZINC000252098652 1167626374 /nfs/dbraw/zinc/62/63/74/1167626374.db2.gz ICDZGGUMPGGCAR-IJLUTSLNSA-N 2 1 212.381 2.338 20 0 BEADMP CCC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001120779003 1167699115 /nfs/dbraw/zinc/69/91/15/1167699115.db2.gz WTFYGLGUGDPGER-CYBMUJFWSA-N 2 1 233.359 2.250 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000252125810 1167706075 /nfs/dbraw/zinc/70/60/75/1167706075.db2.gz LJFCAASBHKVCLA-RFQIPJPRSA-N 2 1 224.392 2.352 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)cn1 ZINC001205117682 1167771617 /nfs/dbraw/zinc/77/16/17/1167771617.db2.gz RPUXDLGYPMVLHZ-CQSZACIVSA-N 2 1 233.359 2.012 20 0 BEADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCCCC[C@H]1C ZINC000252219485 1167774634 /nfs/dbraw/zinc/77/46/34/1167774634.db2.gz YQKXHYYFMKHFOQ-OLZOCXBDSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)C[C@@H](C)C1 ZINC000310489187 1167784643 /nfs/dbraw/zinc/78/46/43/1167784643.db2.gz FNVFLWZCHCGECK-SEBNEYGDSA-N 2 1 236.403 2.352 20 0 BEADMP C1CC[C@@H]2C[N@H+]([C@H]3CCC[NH2+]C3)CC[C@H]2C1 ZINC000252372284 1167826014 /nfs/dbraw/zinc/82/60/14/1167826014.db2.gz ICLNTGGGMVODTQ-MCIONIFRSA-N 2 1 222.376 2.251 20 0 BEADMP CCCCCC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314455 979523083 /nfs/dbraw/zinc/52/30/83/979523083.db2.gz NFQNPJAVBDCRAL-OKILXGFUSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1ccccn1 ZINC000086817250 1168312273 /nfs/dbraw/zinc/31/22/73/1168312273.db2.gz PKUFLGTTXDKMFZ-CHWSQXEVSA-N 2 1 233.359 2.217 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccccn1 ZINC000086817250 1168312278 /nfs/dbraw/zinc/31/22/78/1168312278.db2.gz PKUFLGTTXDKMFZ-CHWSQXEVSA-N 2 1 233.359 2.217 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1cccnc1 ZINC000086817292 1168312644 /nfs/dbraw/zinc/31/26/44/1168312644.db2.gz CYDDIDRXYKEDOO-OCCSQVGLSA-N 2 1 233.359 2.217 20 0 BEADMP CC[C@H]([NH3+])C[N@H+](C)CCCc1cccc(F)c1 ZINC001236860620 979767789 /nfs/dbraw/zinc/76/77/89/979767789.db2.gz RSFLZGAENZEAQW-AWEZNQCLSA-N 2 1 238.350 2.427 20 0 BEADMP CC[C@H]([NH3+])C[N@@H+](C)CCCc1cccc(F)c1 ZINC001236860620 979767797 /nfs/dbraw/zinc/76/77/97/979767797.db2.gz RSFLZGAENZEAQW-AWEZNQCLSA-N 2 1 238.350 2.427 20 0 BEADMP CC[C@H]([NH3+])C[N@H+](C)CCCc1ccccc1F ZINC001236861289 979767909 /nfs/dbraw/zinc/76/79/09/979767909.db2.gz ZCKMPBCSXROWCZ-ZDUSSCGKSA-N 2 1 238.350 2.427 20 0 BEADMP CC[C@H]([NH3+])C[N@@H+](C)CCCc1ccccc1F ZINC001236861289 979767915 /nfs/dbraw/zinc/76/79/15/979767915.db2.gz ZCKMPBCSXROWCZ-ZDUSSCGKSA-N 2 1 238.350 2.427 20 0 BEADMP CCCCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC000037484756 1168418719 /nfs/dbraw/zinc/41/87/19/1168418719.db2.gz LJHQVZKYEOBUPH-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000037484635 1168418210 /nfs/dbraw/zinc/41/82/10/1168418210.db2.gz BBTVVGXGKRDVLS-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP [NH3+]C[C@]1(F)CCC[N@H+](C2CCSCC2)CC1 ZINC000257924855 1168585905 /nfs/dbraw/zinc/58/59/05/1168585905.db2.gz BBMRRPPRMRYJCB-LBPRGKRZSA-N 2 1 246.395 2.035 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCCC(F)F)[C@H]2CCC[C@H]21 ZINC001350635585 982039159 /nfs/dbraw/zinc/03/91/59/982039159.db2.gz DWOVKILKRADBJP-GRYCIOLGSA-N 2 1 246.345 2.494 20 0 BEADMP c1csc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037408331 982943265 /nfs/dbraw/zinc/94/32/65/982943265.db2.gz VJDJVKPNJQLTSI-LLVKDONJSA-N 2 1 236.384 2.322 20 0 BEADMP CCC[C@@H](C)C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201553702 983310538 /nfs/dbraw/zinc/31/05/38/983310538.db2.gz OVTBOMXPRKHYNJ-MGPQQGTHSA-N 2 1 224.392 2.306 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001276034164 1169064560 /nfs/dbraw/zinc/06/45/60/1169064560.db2.gz RFFDYTGSCGCPMB-ZIAGYGMSSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+](C)CCC[N@@H+](C)CCCC(F)(F)F ZINC001202368937 983641908 /nfs/dbraw/zinc/64/19/08/983641908.db2.gz YZQRIMQQSUHMKX-UHFFFAOYSA-N 2 1 226.286 2.212 20 0 BEADMP C1CCC2(C1)CC[NH+]([C@@H]1CCC[NH2+]C1)CC2 ZINC000062954150 1169182710 /nfs/dbraw/zinc/18/27/10/1169182710.db2.gz IGPGQIKDJXDZCU-CYBMUJFWSA-N 2 1 222.376 2.395 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@H](OC)C1 ZINC001255954438 1169272458 /nfs/dbraw/zinc/27/24/58/1169272458.db2.gz DOQOVZANTXYCGZ-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP Cc1ccc(CC[NH2+]C2CC[NH+](C)CC2)s1 ZINC001256194514 1169281697 /nfs/dbraw/zinc/28/16/97/1169281697.db2.gz FJRCMCGLFZRSKV-UHFFFAOYSA-N 2 1 238.400 2.283 20 0 BEADMP CC[C@H](CC(C)C)n1c[nH+]cc1CC[NH3+] ZINC001172387210 974731104 /nfs/dbraw/zinc/73/11/04/974731104.db2.gz UJGUPAHUGHAIQC-LLVKDONJSA-N 2 1 209.337 2.382 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)s1 ZINC001206165322 974829681 /nfs/dbraw/zinc/82/96/81/974829681.db2.gz NISARWPKDXUQBF-NWDGAFQWSA-N 2 1 242.363 2.318 20 0 BEADMP [NH3+]CC1(F)CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC001222548492 972557394 /nfs/dbraw/zinc/55/73/94/972557394.db2.gz NYVGBBXZQDCVMX-UHFFFAOYSA-N 2 1 246.713 2.196 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@H]1CCCc2occc21 ZINC001327840661 972754909 /nfs/dbraw/zinc/75/49/09/972754909.db2.gz RJIFHZFSWAQVGK-JQWIXIFHSA-N 2 1 222.332 2.245 20 0 BEADMP CC(C)=CCC[C@H](C)[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246875024 973270454 /nfs/dbraw/zinc/27/04/54/973270454.db2.gz XGBFEJFMJOWZIX-YNEHKIRRSA-N 2 1 208.349 2.154 20 0 BEADMP CC(C)=CCC[C@H](C)[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246875024 973270470 /nfs/dbraw/zinc/27/04/70/973270470.db2.gz XGBFEJFMJOWZIX-YNEHKIRRSA-N 2 1 208.349 2.154 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCOC(C)(C)C1 ZINC000351918934 970822672 /nfs/dbraw/zinc/82/26/72/970822672.db2.gz LAKMYMSSPPIFHL-CYBMUJFWSA-N 2 1 242.407 2.218 20 0 BEADMP CC[N@@H+](CCOC)C1CC[NH+](C(C)(C)C)CC1 ZINC001256568763 970867943 /nfs/dbraw/zinc/86/79/43/970867943.db2.gz CQKKUKVSJQXVHC-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP CCCCC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403233199 970895878 /nfs/dbraw/zinc/89/58/78/970895878.db2.gz NHQXOBKTNCSHFD-SNVBAGLBSA-N 2 1 220.307 2.093 20 0 BEADMP C[C@H](Cc1ccncc1)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001256721752 970940140 /nfs/dbraw/zinc/94/01/40/970940140.db2.gz UTTNUTXIDOGEHI-UKRRQHHQSA-N 2 1 247.386 2.087 20 0 BEADMP C[C@H](Cc1ccncc1)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001256722947 970944727 /nfs/dbraw/zinc/94/47/27/970944727.db2.gz LZGOOLKVGVOWEH-HIFRSBDPSA-N 2 1 247.386 2.087 20 0 BEADMP C[C@H](Cc1ccncc1)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001256723708 970944806 /nfs/dbraw/zinc/94/48/06/970944806.db2.gz ZRMWJBHRSDNBLW-LRVUVFPRSA-N 2 1 247.386 2.214 20 0 BEADMP CCCC[C@H](C)[N@@H+](C)CCC[NH+](C)C ZINC000352414551 971028093 /nfs/dbraw/zinc/02/80/93/971028093.db2.gz IIAZRYPPEZFFHT-LBPRGKRZSA-N 2 1 200.370 2.449 20 0 BEADMP CC(C)[N@@H+](CCC[NH3+])C1C[C@H](C)O[C@@H](C)C1 ZINC001257073826 971088072 /nfs/dbraw/zinc/08/80/72/971088072.db2.gz WIZZKVSGXAHAQB-RYUDHWBXSA-N 2 1 228.380 2.002 20 0 BEADMP CCC[C@@H](CC)[N@@H+](C)CCC[NH+](C)C ZINC001257257428 971154976 /nfs/dbraw/zinc/15/49/76/971154976.db2.gz QOEYLIJGZSIVGX-GFCCVEGCSA-N 2 1 200.370 2.449 20 0 BEADMP CCC[C@@H](C)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001257329272 971225940 /nfs/dbraw/zinc/22/59/40/971225940.db2.gz XRPXHNBTPKPXEG-GFCCVEGCSA-N 2 1 210.365 2.345 20 0 BEADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccccc2F)C12CCC2 ZINC000405297577 971229923 /nfs/dbraw/zinc/22/99/23/971229923.db2.gz GXUZCMZUSFFWDG-CHWSQXEVSA-N 2 1 234.318 2.185 20 0 BEADMP CC[C@@H](C)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001257434247 971341994 /nfs/dbraw/zinc/34/19/94/971341994.db2.gz PGQKPHGLOCPTCR-GFCCVEGCSA-N 2 1 233.359 2.130 20 0 BEADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)CC)C[C@@H]2C1 ZINC001257446912 971363059 /nfs/dbraw/zinc/36/30/59/971363059.db2.gz SKLOZVKLGMYVQC-UPJWGTAASA-N 2 1 210.365 2.059 20 0 BEADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H](C)CC)C[C@@H]2C1 ZINC001257446912 971363064 /nfs/dbraw/zinc/36/30/64/971363064.db2.gz SKLOZVKLGMYVQC-UPJWGTAASA-N 2 1 210.365 2.059 20 0 BEADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)CC)C[C@@H]2C1 ZINC001257446912 971363070 /nfs/dbraw/zinc/36/30/70/971363070.db2.gz SKLOZVKLGMYVQC-UPJWGTAASA-N 2 1 210.365 2.059 20 0 BEADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)CC)C[C@@H]2C1 ZINC001257446911 971364160 /nfs/dbraw/zinc/36/41/60/971364160.db2.gz SKLOZVKLGMYVQC-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)CC)C[C@@H]2C1 ZINC001257446911 971364169 /nfs/dbraw/zinc/36/41/69/971364169.db2.gz SKLOZVKLGMYVQC-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)CC)C[C@@H]2C1 ZINC001257446911 971364175 /nfs/dbraw/zinc/36/41/75/971364175.db2.gz SKLOZVKLGMYVQC-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP [NH3+]CCCc1[nH+]ccn1C1CCCCC1 ZINC001257453774 971374608 /nfs/dbraw/zinc/37/46/08/971374608.db2.gz IDYWYBCWHRPBCF-UHFFFAOYSA-N 2 1 207.321 2.280 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@@H+](C3CCCCC3)C2)C1 ZINC001257459030 971381319 /nfs/dbraw/zinc/38/13/19/971381319.db2.gz KZXJRULAGDOZLZ-CQSZACIVSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@H+](C3CCCCC3)C2)C1 ZINC001257459030 971381324 /nfs/dbraw/zinc/38/13/24/971381324.db2.gz KZXJRULAGDOZLZ-CQSZACIVSA-N 2 1 222.376 2.347 20 0 BEADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCCSC1 ZINC001257676557 971477222 /nfs/dbraw/zinc/47/72/22/971477222.db2.gz DDRKUOCLIKVRAF-ZDUSSCGKSA-N 2 1 242.432 2.300 20 0 BEADMP C1C[NH+](C2CC[NH+]([C@@H]3CCCSC3)CC2)C1 ZINC001257685430 971489984 /nfs/dbraw/zinc/48/99/84/971489984.db2.gz OLXXQSCKZGIAMO-CYBMUJFWSA-N 2 1 240.416 2.052 20 0 BEADMP CC(C)C[NH+]1CCC([N@@H+](C)C(C)C)CC1 ZINC001258011779 971552677 /nfs/dbraw/zinc/55/26/77/971552677.db2.gz QHACOJOWEXCGIK-UHFFFAOYSA-N 2 1 212.381 2.447 20 0 BEADMP CC(C)C[NH+]1CCC([N@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC001258013865 971556466 /nfs/dbraw/zinc/55/64/66/971556466.db2.gz YKQOKAGVMGPZAN-BETUJISGSA-N 2 1 222.376 2.059 20 0 BEADMP CSCC[N@@H+](C)C1CC[NH+](CC(C)C)CC1 ZINC001258018528 971558150 /nfs/dbraw/zinc/55/81/50/971558150.db2.gz OTEYVTWFALLXES-UHFFFAOYSA-N 2 1 244.448 2.402 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170712015 971617031 /nfs/dbraw/zinc/61/70/31/971617031.db2.gz JINZPTPUIUOMDQ-CLLJXQQHSA-N 2 1 222.376 2.105 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170724411 971654772 /nfs/dbraw/zinc/65/47/72/971654772.db2.gz JIVZODBRRWHDKH-XDQVBPFNSA-N 2 1 236.403 2.495 20 0 BEADMP N[C@@H]1CC[N@@H+](CCC2CCCC2)CC[C@@H]1F ZINC001206156911 974335091 /nfs/dbraw/zinc/33/50/91/974335091.db2.gz UFCPOKZPPHJIOO-QWHCGFSZSA-N 2 1 228.355 2.328 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](CCC2CCCC2)CC[C@@H]1F ZINC001206156911 974335102 /nfs/dbraw/zinc/33/51/02/974335102.db2.gz UFCPOKZPPHJIOO-QWHCGFSZSA-N 2 1 228.355 2.328 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](CCC2CCCC2)CC[C@@H]1F ZINC001206156911 974335110 /nfs/dbraw/zinc/33/51/10/974335110.db2.gz UFCPOKZPPHJIOO-QWHCGFSZSA-N 2 1 228.355 2.328 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC1)C2 ZINC001172099807 974345339 /nfs/dbraw/zinc/34/53/39/974345339.db2.gz KOCJQWZRCCCWFC-CLLJXQQHSA-N 2 1 208.349 2.144 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC1)C2 ZINC001172099807 974345349 /nfs/dbraw/zinc/34/53/49/974345349.db2.gz KOCJQWZRCCCWFC-CLLJXQQHSA-N 2 1 208.349 2.144 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC2(C)C)C1 ZINC000309681684 971761835 /nfs/dbraw/zinc/76/18/35/971761835.db2.gz ZPYFOHOAOZKXCT-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H](CSC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000217327796 971787571 /nfs/dbraw/zinc/78/75/71/971787571.db2.gz BFUGNZMCXBCIHO-WODVXLOZSA-N 2 1 242.432 2.343 20 0 BEADMP CCC[N@H+](CC)C1CC[NH+](CCCOC)CC1 ZINC001172250465 974512982 /nfs/dbraw/zinc/51/29/82/974512982.db2.gz SPSZIRHUDIPONV-UHFFFAOYSA-N 2 1 242.407 2.219 20 0 BEADMP CCC[N@@H+](CC)C1CC[NH+](CCCOC)CC1 ZINC001172250465 974512989 /nfs/dbraw/zinc/51/29/89/974512989.db2.gz SPSZIRHUDIPONV-UHFFFAOYSA-N 2 1 242.407 2.219 20 0 BEADMP CC[C@H](C)OCC[C@@H](C)n1c[nH+]cc1CC[NH3+] ZINC001172322757 974532727 /nfs/dbraw/zinc/53/27/27/974532727.db2.gz YFKOEEDUAKSELV-NEPJUHHUSA-N 2 1 239.363 2.151 20 0 BEADMP Cc1cc(-c2ccc3[nH+]c(N)[nH]c3c2)cnc1N ZINC001245537939 971851939 /nfs/dbraw/zinc/85/19/39/971851939.db2.gz HWGOJWJOISGERA-UHFFFAOYSA-N 2 1 239.282 2.098 20 0 BEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1[nH]c(C)cc1C ZINC001276798672 971963690 /nfs/dbraw/zinc/96/36/90/971963690.db2.gz WDCDNPPKFPHHOH-AGUYFDCRSA-N 2 1 247.386 2.346 20 0 BEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1[nH]c(C)cc1C ZINC001276798672 971963699 /nfs/dbraw/zinc/96/36/99/971963699.db2.gz WDCDNPPKFPHHOH-AGUYFDCRSA-N 2 1 247.386 2.346 20 0 BEADMP CC(C)c1cccc(NCC[C@@H](C)[NH3+])[nH+]1 ZINC001170889392 972037016 /nfs/dbraw/zinc/03/70/16/972037016.db2.gz BFGBUFZYLBQAOB-SNVBAGLBSA-N 2 1 207.321 2.354 20 0 BEADMP COc1cc(NCC[C@@H](C)[NH3+])[nH+]c2ccccc21 ZINC001159773145 972105768 /nfs/dbraw/zinc/10/57/68/972105768.db2.gz WLQJFLIKNXYMBF-SNVBAGLBSA-N 2 1 245.326 2.393 20 0 BEADMP CC[C@@H](C)OCC[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246085405 972141191 /nfs/dbraw/zinc/14/11/91/972141191.db2.gz QRJCGIXRUSTJHX-FQUUOJAGSA-N 2 1 242.407 2.310 20 0 BEADMP Cc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC001246107499 972171919 /nfs/dbraw/zinc/17/19/19/972171919.db2.gz BPVUJSCBXVVYDF-JKSUJKDBSA-N 2 1 244.382 2.194 20 0 BEADMP CCCCCC[C@H](C)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246134881 972192259 /nfs/dbraw/zinc/19/22/59/972192259.db2.gz PDWTUOIBCLWEBR-AVGNSLFASA-N 2 1 210.365 2.297 20 0 BEADMP CC[C@@H]1CC[C@@H]([NH2+][C@]2(C)CCC[NH2+]C2)C1 ZINC001246182965 972207713 /nfs/dbraw/zinc/20/77/13/972207713.db2.gz CNVHZCQZZYDZKA-JHJVBQTASA-N 2 1 210.365 2.297 20 0 BEADMP Cl/C=C/C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000692954049 957047493 /nfs/dbraw/zinc/04/74/93/957047493.db2.gz GNOLVKQRLPFNFF-ZABGRMTBSA-N 2 1 242.794 2.451 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@H](CF)C2)C1 ZINC001208613672 957103944 /nfs/dbraw/zinc/10/39/44/957103944.db2.gz XORMEPLPFXMULV-QWHCGFSZSA-N 2 1 228.355 2.010 20 0 BEADMP CC/C=C\CC[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001208734186 957145242 /nfs/dbraw/zinc/14/52/42/957145242.db2.gz OCKDHNNOYGPWGP-HLMASZERSA-N 2 1 222.376 2.226 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714835774 957425980 /nfs/dbraw/zinc/42/59/80/957425980.db2.gz YYAJOPGHISXIEK-ATGSNQNLSA-N 2 1 236.403 2.482 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[NH2+][C@H](C)CC2)cc1C ZINC001210473409 957759892 /nfs/dbraw/zinc/75/98/92/957759892.db2.gz CUTDBEVAYJQQFC-CQSZACIVSA-N 2 1 232.371 2.487 20 0 BEADMP Cc1ccc(C[N@H+]2CC[NH2+][C@H](C)CC2)cc1C ZINC001210473409 957759895 /nfs/dbraw/zinc/75/98/95/957759895.db2.gz CUTDBEVAYJQQFC-CQSZACIVSA-N 2 1 232.371 2.487 20 0 BEADMP CO[C@@H](C[N@H+]1CC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000386019284 957777650 /nfs/dbraw/zinc/77/76/50/957777650.db2.gz WRTCWLMSDQTGSF-ZFWWWQNUSA-N 2 1 248.370 2.045 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C[NH2+]1 ZINC000706558962 957973656 /nfs/dbraw/zinc/97/36/56/957973656.db2.gz DPUVXSNWBROHCR-ZYHUDNBSSA-N 2 1 210.365 2.153 20 0 BEADMP c1ccc2c(c1)CC[C@H](C[NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC001246397901 972309334 /nfs/dbraw/zinc/30/93/34/972309334.db2.gz UQFOYCUPFLFKKB-XJKSGUPXSA-N 2 1 244.382 2.133 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000723122318 958163918 /nfs/dbraw/zinc/16/39/18/958163918.db2.gz OPFPFUQLTAPWHT-LOWDOPEQSA-N 2 1 210.365 2.092 20 0 BEADMP C[N@@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)CC(C)(C)C[NH3+] ZINC000693296826 958186061 /nfs/dbraw/zinc/18/60/61/958186061.db2.gz NLDAYRNNZRMFKY-JGPRNRPPSA-N 2 1 246.345 2.194 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]CCC2CCCC2)C[NH2+]1 ZINC000398958877 958458018 /nfs/dbraw/zinc/45/80/18/958458018.db2.gz KQAFBXPMDUVCFN-WCQYABFASA-N 2 1 210.365 2.297 20 0 BEADMP CCCCC[C@@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000399017012 958480440 /nfs/dbraw/zinc/48/04/40/958480440.db2.gz GCASLZRPOLWRTH-CYBMUJFWSA-N 2 1 242.407 2.002 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]CCc2ccc(F)cc2)C[NH2+]1 ZINC000399189010 958561121 /nfs/dbraw/zinc/56/11/21/958561121.db2.gz OZAWZMDYZLGUHN-SMDDNHRTSA-N 2 1 236.334 2.098 20 0 BEADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]2C[C@H]21 ZINC001246501957 972360781 /nfs/dbraw/zinc/36/07/81/972360781.db2.gz FJEPOGFBGXTEHU-REWJHTLYSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@H]1CC[C@@H]([N@@H+]2CCC23CCCC3)C[NH2+]1 ZINC000707628660 958635141 /nfs/dbraw/zinc/63/51/41/958635141.db2.gz WMUGLHQSGLBIQT-NWDGAFQWSA-N 2 1 208.349 2.145 20 0 BEADMP C[C@H]1CC[C@@H]([N@H+]2CCC23CCCC3)C[NH2+]1 ZINC000707628660 958635152 /nfs/dbraw/zinc/63/51/52/958635152.db2.gz WMUGLHQSGLBIQT-NWDGAFQWSA-N 2 1 208.349 2.145 20 0 BEADMP COC[C@H]1CCCC[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207275080 958842949 /nfs/dbraw/zinc/84/29/49/958842949.db2.gz JLJTXGCJBBFMRF-CYBMUJFWSA-N 2 1 242.407 2.075 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000300993777 959489410 /nfs/dbraw/zinc/48/94/10/959489410.db2.gz WAEHFIHHWDFJQL-QWHCGFSZSA-N 2 1 212.381 2.339 20 0 BEADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccs2)C1 ZINC000308790748 959501560 /nfs/dbraw/zinc/50/15/60/959501560.db2.gz AYRBKWWPRPLTNP-LLVKDONJSA-N 2 1 224.373 2.309 20 0 BEADMP CCC[C@@H](C)C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000308799151 959503535 /nfs/dbraw/zinc/50/35/35/959503535.db2.gz DFKZPGBYUUELOQ-OLZOCXBDSA-N 2 1 212.381 2.483 20 0 BEADMP Cc1cccc2c1CC[C@H]([N@H+]1CC[C@@](C)([NH3+])C1)C2 ZINC001246532153 972445365 /nfs/dbraw/zinc/44/53/65/972445365.db2.gz UMHJDLRHOHQENJ-GOEBONIOSA-N 2 1 244.382 2.275 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](C(F)F)C2)CC1 ZINC001207398239 959715042 /nfs/dbraw/zinc/71/50/42/959715042.db2.gz BNPPZTDICSYQGL-LBPRGKRZSA-N 2 1 246.345 2.305 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCCc1ccccc1 ZINC000309235665 959800818 /nfs/dbraw/zinc/80/08/18/959800818.db2.gz VDEXFTMAQHIALP-TZMCWYRMSA-N 2 1 218.344 2.041 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CCCc1ccccc1 ZINC000309235665 959800809 /nfs/dbraw/zinc/80/08/09/959800809.db2.gz VDEXFTMAQHIALP-TZMCWYRMSA-N 2 1 218.344 2.041 20 0 BEADMP Cc1cc(C)c([N@@H+]2C=CC(C[NH3+])=CC2=N)c(C)c1 ZINC001167690713 959813187 /nfs/dbraw/zinc/81/31/87/959813187.db2.gz UEFMWVQNNBITAJ-UHFFFAOYSA-N 2 1 241.338 2.341 20 0 BEADMP Cc1cc(C)c([N@H+]2C=CC(C[NH3+])=CC2=N)c(C)c1 ZINC001167690713 959813189 /nfs/dbraw/zinc/81/31/89/959813189.db2.gz UEFMWVQNNBITAJ-UHFFFAOYSA-N 2 1 241.338 2.341 20 0 BEADMP C[C@H]1C[N@@H+](CC2(C)CCCCC2)C[C@H]1C[NH3+] ZINC000708826001 959857163 /nfs/dbraw/zinc/85/71/63/959857163.db2.gz SBFNDZORYLJORS-QWHCGFSZSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@H]1C[N@@H+](Cc2c[nH]c3ccccc23)C[C@H]1C[NH3+] ZINC000708898985 960091737 /nfs/dbraw/zinc/09/17/37/960091737.db2.gz BWNHHJGQCYFECX-NWDGAFQWSA-N 2 1 243.354 2.195 20 0 BEADMP C(C1CC[NH2+]CC1)[N@H+]1CCCCC12CC2 ZINC001207438980 960098260 /nfs/dbraw/zinc/09/82/60/960098260.db2.gz GTOLUZOCBLANMK-UHFFFAOYSA-N 2 1 208.349 2.005 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]C/C=C\c1ccccc1 ZINC000310842170 960209364 /nfs/dbraw/zinc/20/93/64/960209364.db2.gz BJVXNBGJCLRMEF-YVMONPNESA-N 2 1 241.338 2.495 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1(Cl)CC1 ZINC000695655871 960329495 /nfs/dbraw/zinc/32/94/95/960329495.db2.gz OCLSTRVJNWHJLR-SDDRHHMPSA-N 2 1 242.794 2.363 20 0 BEADMP CCCC[N@@H+](C)CCC1CC[NH+](C)CC1 ZINC001207479434 960354077 /nfs/dbraw/zinc/35/40/77/960354077.db2.gz ITCWGCFJWLQGJB-UHFFFAOYSA-N 2 1 212.381 2.450 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000695717859 960399245 /nfs/dbraw/zinc/39/92/45/960399245.db2.gz RTKWZQSVFPZDFN-YNEHKIRRSA-N 2 1 222.376 2.439 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000695761929 960431464 /nfs/dbraw/zinc/43/14/64/960431464.db2.gz KHKHOFVVRZPMFG-CYBMUJFWSA-N 2 1 222.376 2.380 20 0 BEADMP C[N@@H+](CCC1CC1)CCC1CC[NH+](C)CC1 ZINC001207487225 960478747 /nfs/dbraw/zinc/47/87/47/960478747.db2.gz UKSVFPVEVPTLAJ-UHFFFAOYSA-N 2 1 224.392 2.450 20 0 BEADMP CC[NH+](CC)Cc1c[nH]c2cc[nH+]cc12 ZINC001140799906 960596354 /nfs/dbraw/zinc/59/63/54/960596354.db2.gz PVFSGOQEBKIGTG-UHFFFAOYSA-N 2 1 203.289 2.405 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+](CC2CC2)C2CC2)CC[NH2+]1 ZINC000709465062 960604582 /nfs/dbraw/zinc/60/45/82/960604582.db2.gz NTKHILQHDOVNNL-ZWNOBZJWSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@H]1C[C@H]([N@@H+](CC2CC2)C2CC2)CC[NH2+]1 ZINC000709465054 960606192 /nfs/dbraw/zinc/60/61/92/960606192.db2.gz NTKHILQHDOVNNL-GXFFZTMASA-N 2 1 208.349 2.001 20 0 BEADMP CO[C@H](C)C1C[NH+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805977 960607847 /nfs/dbraw/zinc/60/78/47/960607847.db2.gz RZBXZUWBHPPDGY-SNVBAGLBSA-N 2 1 245.326 2.030 20 0 BEADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3[nH]cc(C)c3C)C[C@@H]2C1 ZINC001140863685 960648721 /nfs/dbraw/zinc/64/87/21/960648721.db2.gz ATEUBWNLQZTLJK-OKILXGFUSA-N 2 1 247.386 2.015 20 0 BEADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3[nH]cc(C)c3C)C[C@@H]2C1 ZINC001140863685 960648731 /nfs/dbraw/zinc/64/87/31/960648731.db2.gz ATEUBWNLQZTLJK-OKILXGFUSA-N 2 1 247.386 2.015 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3[nH]cc(C)c3C)C[C@@H]2C1 ZINC001140863685 960648740 /nfs/dbraw/zinc/64/87/40/960648740.db2.gz ATEUBWNLQZTLJK-OKILXGFUSA-N 2 1 247.386 2.015 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3[nH]cc(C)c3C)C[C@@H]2C1 ZINC001140863685 960648746 /nfs/dbraw/zinc/64/87/46/960648746.db2.gz ATEUBWNLQZTLJK-OKILXGFUSA-N 2 1 247.386 2.015 20 0 BEADMP COc1ccc(C)cc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000125561876 960847280 /nfs/dbraw/zinc/84/72/80/960847280.db2.gz LTPQHUUPCQUJNT-CYBMUJFWSA-N 2 1 248.370 2.174 20 0 BEADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001207631438 961393482 /nfs/dbraw/zinc/39/34/82/961393482.db2.gz HQBPBKHHLRZSMD-ZJIFWQFVSA-N 2 1 246.398 2.226 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001207631438 961393496 /nfs/dbraw/zinc/39/34/96/961393496.db2.gz HQBPBKHHLRZSMD-ZJIFWQFVSA-N 2 1 246.398 2.226 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001207631438 961393510 /nfs/dbraw/zinc/39/35/10/961393510.db2.gz HQBPBKHHLRZSMD-ZJIFWQFVSA-N 2 1 246.398 2.226 20 0 BEADMP [NH3+]C[C@@H]1CCCC[N@@H+](CC2OC=CC2=S)C1 ZINC001206641183 962284568 /nfs/dbraw/zinc/28/45/68/962284568.db2.gz UCYLJTGPYDWPPX-JTQLQIEISA-N 2 1 240.372 2.129 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000710384750 962373516 /nfs/dbraw/zinc/37/35/16/962373516.db2.gz MZFQKCYTDGAPSI-QWHCGFSZSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000710797192 962474602 /nfs/dbraw/zinc/47/46/02/962474602.db2.gz ZWBJYYMCMSTLDQ-ACJTYDJDSA-N 2 1 208.349 2.144 20 0 BEADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CC1 ZINC001167958034 962824098 /nfs/dbraw/zinc/82/40/98/962824098.db2.gz BCLFJIKEWQCUJH-GOOCMWNKSA-N 2 1 234.387 2.391 20 0 BEADMP CC(C)[NH+]1CCC(CNc2[nH+]cccc2N)CC1 ZINC001156496192 963370372 /nfs/dbraw/zinc/37/03/72/963370372.db2.gz YGKGHDAUHWXRKY-UHFFFAOYSA-N 2 1 248.374 2.196 20 0 BEADMP C[N@H+](Cc1ccno1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255684303 1169826404 /nfs/dbraw/zinc/82/64/04/1169826404.db2.gz XVFBMAZRFKTKQR-FUNVUKJBSA-N 2 1 249.358 2.122 20 0 BEADMP C[N@@H+](Cc1ccno1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255684303 1169826419 /nfs/dbraw/zinc/82/64/19/1169826419.db2.gz XVFBMAZRFKTKQR-FUNVUKJBSA-N 2 1 249.358 2.122 20 0 BEADMP C[NH+](Cc1ccno1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255684303 1169826432 /nfs/dbraw/zinc/82/64/32/1169826432.db2.gz XVFBMAZRFKTKQR-FUNVUKJBSA-N 2 1 249.358 2.122 20 0 BEADMP C[NH+](Cc1ccno1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255684303 1169826447 /nfs/dbraw/zinc/82/64/47/1169826447.db2.gz XVFBMAZRFKTKQR-FUNVUKJBSA-N 2 1 249.358 2.122 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000896719340 963473390 /nfs/dbraw/zinc/47/33/90/963473390.db2.gz CWXFJRMGRIPEEJ-VHDGCEQUSA-N 2 1 247.386 2.320 20 0 BEADMP CC[C@]1(C)CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000697036857 963664707 /nfs/dbraw/zinc/66/47/07/963664707.db2.gz MSSRCJHNDAUIHS-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP CC(C)[C@H](C)[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000697038392 963665886 /nfs/dbraw/zinc/66/58/86/963665886.db2.gz CJHIPYOXYNVMFA-QWHCGFSZSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000697043520 963667922 /nfs/dbraw/zinc/66/79/22/963667922.db2.gz WPHMLVHMZILBKJ-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP CCCC[N@@H+](CC)C[C@@H]1CCCC[NH2+]C1 ZINC000697049718 963680718 /nfs/dbraw/zinc/68/07/18/963680718.db2.gz BPRXVDFHPGJABU-CYBMUJFWSA-N 2 1 212.381 2.498 20 0 BEADMP Cc1cc2[nH]ccc2c(-n2ccc(C[NH3+])c2)[nH+]1 ZINC001158766525 963919860 /nfs/dbraw/zinc/91/98/60/963919860.db2.gz HBGWOZBIYGNGNJ-UHFFFAOYSA-N 2 1 226.283 2.121 20 0 BEADMP Cc1cc2cc[nH+]c(NC3(C)CC[NH2+]CC3)c2[nH]1 ZINC001168182689 963936146 /nfs/dbraw/zinc/93/61/46/963936146.db2.gz XIJNCEIBHKSYAP-UHFFFAOYSA-N 2 1 244.342 2.425 20 0 BEADMP CCc1ccc[nH+]c1NC1(C)CC[NH2+]CC1 ZINC001168183777 963939060 /nfs/dbraw/zinc/93/90/60/963939060.db2.gz MLJWIQHUFAIDBL-UHFFFAOYSA-N 2 1 219.332 2.198 20 0 BEADMP Cn1ccc2cc[nH+]c(NC3(C)CC[NH2+]CC3)c21 ZINC001168186603 963943010 /nfs/dbraw/zinc/94/30/10/963943010.db2.gz FFBDKEHPNPETHA-UHFFFAOYSA-N 2 1 244.342 2.127 20 0 BEADMP C[NH+](C)C1CCC([N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)CC1 ZINC001168313629 964416090 /nfs/dbraw/zinc/41/60/90/964416090.db2.gz FMYDRNFXJYHTFC-ASUPZPJHSA-N 2 1 240.366 2.149 20 0 BEADMP C[NH+](C)C1CCC([N@H+]2Cc3cccnc3C2)CC1 ZINC001168315717 964421611 /nfs/dbraw/zinc/42/16/11/964421611.db2.gz LOXJSPKTZMBJII-UHFFFAOYSA-N 2 1 245.370 2.270 20 0 BEADMP C[NH+](C)C1CCC([N@H+]2Cc3ccncc3C2)CC1 ZINC001168324009 964450584 /nfs/dbraw/zinc/45/05/84/964450584.db2.gz GHVLDAFWTNOFKN-UHFFFAOYSA-N 2 1 245.370 2.270 20 0 BEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H]3C[C@H]32)CC1 ZINC001168329510 964460527 /nfs/dbraw/zinc/46/05/27/964460527.db2.gz WDOKBRLIPLZOIP-GFJIZPEISA-N 2 1 222.376 2.344 20 0 BEADMP C[N@H+]1CCC[C@@H]1CCNc1[nH+]ccc2[nH]ccc21 ZINC001160966673 964462188 /nfs/dbraw/zinc/46/21/88/964462188.db2.gz WMZZDCVQWUILML-LLVKDONJSA-N 2 1 244.342 2.459 20 0 BEADMP CC(C)c1ccc(NC/C=C/C[NH3+])[nH+]c1 ZINC001160983225 964470897 /nfs/dbraw/zinc/47/08/97/964470897.db2.gz VCPOJJCVSDXTOO-ONEGZZNKSA-N 2 1 205.305 2.132 20 0 BEADMP C[C@@H](CC[NH2+]Cc1ccc(F)c(F)c1)[NH+](C)C ZINC000697824271 964538376 /nfs/dbraw/zinc/53/83/76/964538376.db2.gz AYEOPQWJTFTUCX-JTQLQIEISA-N 2 1 242.313 2.395 20 0 BEADMP C[Si](C)(C)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168359498 964543688 /nfs/dbraw/zinc/54/36/88/964543688.db2.gz AUAFUNSBGQHPEJ-UHFFFAOYSA-N 2 1 240.467 2.328 20 0 BEADMP Cc1cc[nH+]c(C)c1NCCCC[NH+](C)C ZINC001161730576 964719487 /nfs/dbraw/zinc/71/94/87/964719487.db2.gz KJNMNXMBDIMHAF-UHFFFAOYSA-N 2 1 221.348 2.452 20 0 BEADMP C[NH+](C)CCCCNc1ccc2[nH]c[nH+]c2c1 ZINC001161730636 964720862 /nfs/dbraw/zinc/72/08/62/964720862.db2.gz NDBJZCMKNZRBIE-UHFFFAOYSA-N 2 1 232.331 2.317 20 0 BEADMP CCc1cccc(N[C@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC001162401567 964958642 /nfs/dbraw/zinc/95/86/42/964958642.db2.gz LHQUZCDXSJRTCJ-JQWIXIFHSA-N 2 1 219.332 2.326 20 0 BEADMP CCc1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)[nH+]c1 ZINC001162399311 964959364 /nfs/dbraw/zinc/95/93/64/964959364.db2.gz AYRKTQVJWFUPFZ-NEPJUHHUSA-N 2 1 219.332 2.326 20 0 BEADMP [NH3+][C@H]1CCC[C@@H](Nc2cc3[nH+]c[nH]c3cc2F)C1 ZINC001162404030 964963488 /nfs/dbraw/zinc/96/34/88/964963488.db2.gz IIYAFTYTISIICC-DTWKUNHWSA-N 2 1 248.305 2.384 20 0 BEADMP Cc1cc(NC[C@H]2CCC[NH2+]C[C@H]2C)nc(C)[nH+]1 ZINC001162454368 964983963 /nfs/dbraw/zinc/98/39/63/964983963.db2.gz OCTJQLNAONHOAQ-ZWNOBZJWSA-N 2 1 248.374 2.141 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H]2CCc3c2cccc3F)C1 ZINC000250730857 965043581 /nfs/dbraw/zinc/04/35/81/965043581.db2.gz KLKVZEBDSNWECR-NHYWBVRUSA-N 2 1 248.345 2.354 20 0 BEADMP COC(=[NH2+])c1cccc(NC[C@H]2C[NH2+][C@H](C)C2)c1 ZINC001162558942 965046468 /nfs/dbraw/zinc/04/64/68/965046468.db2.gz HGLNYGCIMYRWDF-GHMZBOCLSA-N 2 1 247.342 2.068 20 0 BEADMP C1=C[C@H](Nc2cccc(C3CC3)[nH+]2)[C@@H]2C[NH2+]C[C@@H]12 ZINC001162801114 965186859 /nfs/dbraw/zinc/18/68/59/965186859.db2.gz GOJXYNKXPFJPFF-BZPMIXESSA-N 2 1 241.338 2.145 20 0 BEADMP C1=C[C@H](Nc2cccc(C3CC3)[nH+]2)[C@H]2C[NH2+]C[C@H]12 ZINC001162801116 965187737 /nfs/dbraw/zinc/18/77/37/965187737.db2.gz GOJXYNKXPFJPFF-OBJOEFQTSA-N 2 1 241.338 2.145 20 0 BEADMP Cc1[nH+]ccn1CCNc1[nH+]ccc(C)c1C ZINC001163919535 965634278 /nfs/dbraw/zinc/63/42/78/965634278.db2.gz GKYBOUOOUBQDLO-UHFFFAOYSA-N 2 1 230.315 2.315 20 0 BEADMP COc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1C ZINC001205095477 965746366 /nfs/dbraw/zinc/74/63/66/965746366.db2.gz YCUSOEBIWOZDIG-AWEZNQCLSA-N 2 1 248.370 2.317 20 0 BEADMP C[C@@H](Cc1cccc(F)c1)[NH2+]C(C)(C)C[NH3+] ZINC001168454136 965759655 /nfs/dbraw/zinc/75/96/55/965759655.db2.gz MHMHSHBEFDGDIQ-JTQLQIEISA-N 2 1 224.323 2.084 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(C)cc1O ZINC001205110301 965837287 /nfs/dbraw/zinc/83/72/87/965837287.db2.gz RECAWZPLLLURDK-AWEZNQCLSA-N 2 1 248.370 2.322 20 0 BEADMP COc1ccc(C)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205124669 965895894 /nfs/dbraw/zinc/89/58/94/965895894.db2.gz XPOJWCAKZBHZIJ-CQSZACIVSA-N 2 1 248.370 2.317 20 0 BEADMP Cc1cnc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(C)c1 ZINC001205124582 965898714 /nfs/dbraw/zinc/89/87/14/965898714.db2.gz VYLVMVWRHGEFDV-CYBMUJFWSA-N 2 1 233.359 2.012 20 0 BEADMP CC1=C[C@@H](C)[C@@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001235039595 965990529 /nfs/dbraw/zinc/99/05/29/965990529.db2.gz VWBYIUXOKAPWBI-APIJFGDWSA-N 2 1 234.387 2.415 20 0 BEADMP CC1=C[C@@H](C)[C@@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001235039595 965990534 /nfs/dbraw/zinc/99/05/34/965990534.db2.gz VWBYIUXOKAPWBI-APIJFGDWSA-N 2 1 234.387 2.415 20 0 BEADMP CC(C)CCC[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958500 966175848 /nfs/dbraw/zinc/17/58/48/966175848.db2.gz GOXOMTWJIUUTLU-CLLJXQQHSA-N 2 1 210.365 2.092 20 0 BEADMP Cc1cc(C)cc(C[NH+]2CC(C)(C[NH3+])C2)c1 ZINC001206711031 966186755 /nfs/dbraw/zinc/18/67/55/966186755.db2.gz DGDSZDVJGFGFDF-UHFFFAOYSA-N 2 1 218.344 2.084 20 0 BEADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](CC1(c3ccccc3)CC1)C2 ZINC001235977555 966188006 /nfs/dbraw/zinc/18/80/06/966188006.db2.gz HHVPVBCLELEXKW-GDBMZVCRSA-N 2 1 242.366 2.141 20 0 BEADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](CC1(c3ccccc3)CC1)C2 ZINC001235977555 966188013 /nfs/dbraw/zinc/18/80/13/966188013.db2.gz HHVPVBCLELEXKW-GDBMZVCRSA-N 2 1 242.366 2.141 20 0 BEADMP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1cccc3cc[nH]c31)C2 ZINC001235994297 966216632 /nfs/dbraw/zinc/21/66/32/966216632.db2.gz VBJALPIMHMBPOX-HIFRSBDPSA-N 2 1 241.338 2.091 20 0 BEADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1cccc3cc[nH]c31)C2 ZINC001235994297 966216647 /nfs/dbraw/zinc/21/66/47/966216647.db2.gz VBJALPIMHMBPOX-HIFRSBDPSA-N 2 1 241.338 2.091 20 0 BEADMP Cc1ccc(C[NH+]2CC(C)(C[NH3+])C2)c(C)c1 ZINC001206712265 966262695 /nfs/dbraw/zinc/26/26/95/966262695.db2.gz ZDNXYOUMBAVKHM-UHFFFAOYSA-N 2 1 218.344 2.084 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314186 966364570 /nfs/dbraw/zinc/36/45/70/966364570.db2.gz JRHCZXFJVHDUKD-NPJQDHAYSA-N 2 1 246.398 2.130 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380697 966655205 /nfs/dbraw/zinc/65/52/05/966655205.db2.gz GUYYDCZVYCXELB-UYJHQMFVSA-N 2 1 246.398 2.273 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380697 966655215 /nfs/dbraw/zinc/65/52/15/966655215.db2.gz GUYYDCZVYCXELB-UYJHQMFVSA-N 2 1 246.398 2.273 20 0 BEADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccsc3)C[C@@H]2C1 ZINC001204046410 966870643 /nfs/dbraw/zinc/87/06/43/966870643.db2.gz XQDYAXUMLSOFKD-BETUJISGSA-N 2 1 236.384 2.132 20 0 BEADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccsc3)C[C@@H]2C1 ZINC001204046410 966870646 /nfs/dbraw/zinc/87/06/46/966870646.db2.gz XQDYAXUMLSOFKD-BETUJISGSA-N 2 1 236.384 2.132 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2C1 ZINC001204046410 966870654 /nfs/dbraw/zinc/87/06/54/966870654.db2.gz XQDYAXUMLSOFKD-BETUJISGSA-N 2 1 236.384 2.132 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2C1 ZINC001204046410 966870658 /nfs/dbraw/zinc/87/06/58/966870658.db2.gz XQDYAXUMLSOFKD-BETUJISGSA-N 2 1 236.384 2.132 20 0 BEADMP Cc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)oc1C ZINC001204538344 967044312 /nfs/dbraw/zinc/04/43/12/967044312.db2.gz ASJPFAPRWWNVEI-OAHLLOKOSA-N 2 1 248.370 2.424 20 0 BEADMP Cc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)oc1C ZINC001204538344 967044324 /nfs/dbraw/zinc/04/43/24/967044324.db2.gz ASJPFAPRWWNVEI-OAHLLOKOSA-N 2 1 248.370 2.424 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)oc1C ZINC001204538344 967044336 /nfs/dbraw/zinc/04/43/36/967044336.db2.gz ASJPFAPRWWNVEI-OAHLLOKOSA-N 2 1 248.370 2.424 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)oc1C ZINC001204538344 967044348 /nfs/dbraw/zinc/04/43/48/967044348.db2.gz ASJPFAPRWWNVEI-OAHLLOKOSA-N 2 1 248.370 2.424 20 0 BEADMP Cc1cc(Nc2cc[nH+]c(N(C)C)c2)c[nH+]c1N ZINC001249784180 967056274 /nfs/dbraw/zinc/05/62/74/967056274.db2.gz GCZOWKZSTGWJMW-UHFFFAOYSA-N 2 1 243.314 2.177 20 0 BEADMP CCCCC[N@H+](C)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001204622076 967102420 /nfs/dbraw/zinc/10/24/20/967102420.db2.gz YQAUJMZIHUCABE-LBPRGKRZSA-N 2 1 228.380 2.223 20 0 BEADMP CCCCC[N@@H+](C)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001204622076 967102430 /nfs/dbraw/zinc/10/24/30/967102430.db2.gz YQAUJMZIHUCABE-LBPRGKRZSA-N 2 1 228.380 2.223 20 0 BEADMP N[C@H](Cc1ccccc1)C[N@H+]1CCCC12CC2 ZINC001204748444 967143903 /nfs/dbraw/zinc/14/39/03/967143903.db2.gz LKQOAVZWLXCCRB-CQSZACIVSA-N 2 1 230.355 2.185 20 0 BEADMP [NH3+][C@H](Cc1ccccc1)CN1CCCC12CC2 ZINC001204748444 967143912 /nfs/dbraw/zinc/14/39/12/967143912.db2.gz LKQOAVZWLXCCRB-CQSZACIVSA-N 2 1 230.355 2.185 20 0 BEADMP C[C@@]1([NH3+])CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC001204763602 967150919 /nfs/dbraw/zinc/15/09/19/967150919.db2.gz MWGHLWWAIMSYRG-LLVKDONJSA-N 2 1 232.318 2.235 20 0 BEADMP C[C@@]1([NH3+])CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC001204763602 967150931 /nfs/dbraw/zinc/15/09/31/967150931.db2.gz MWGHLWWAIMSYRG-LLVKDONJSA-N 2 1 232.318 2.235 20 0 BEADMP C[C@H](CC[N@H+](C)CC[NH3+])CC(C)(C)C ZINC000162911993 967170824 /nfs/dbraw/zinc/17/08/24/967170824.db2.gz HCOUAELLXZRHSS-LLVKDONJSA-N 2 1 200.370 2.339 20 0 BEADMP C[C@H](CC[N@@H+](C)CC[NH3+])CC(C)(C)C ZINC000162911993 967170831 /nfs/dbraw/zinc/17/08/31/967170831.db2.gz HCOUAELLXZRHSS-LLVKDONJSA-N 2 1 200.370 2.339 20 0 BEADMP CCc1cccc(C)c1C[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001204802036 967177621 /nfs/dbraw/zinc/17/76/21/967177621.db2.gz ZQNPZMVEKLDBKE-HNNXBMFYSA-N 2 1 232.371 2.481 20 0 BEADMP CCc1cccc(C)c1C[N@H+]1CC[C@](C)([NH3+])C1 ZINC001204802036 967177628 /nfs/dbraw/zinc/17/76/28/967177628.db2.gz ZQNPZMVEKLDBKE-HNNXBMFYSA-N 2 1 232.371 2.481 20 0 BEADMP CCc1cccc(C)c1C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001204885221 967209912 /nfs/dbraw/zinc/20/99/12/967209912.db2.gz ODSWPPTXYNLPLG-AWEZNQCLSA-N 2 1 232.371 2.481 20 0 BEADMP CCc1cccc(C)c1C[N@H+]1CCC[C@H]([NH3+])C1 ZINC001204885221 967209924 /nfs/dbraw/zinc/20/99/24/967209924.db2.gz ODSWPPTXYNLPLG-AWEZNQCLSA-N 2 1 232.371 2.481 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2C2CCCC2)C1 ZINC000693594503 967272608 /nfs/dbraw/zinc/27/26/08/967272608.db2.gz BHEJXARGKAQJQB-KWCYVHTRSA-N 2 1 222.376 2.378 20 0 BEADMP Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205093908 967341659 /nfs/dbraw/zinc/34/16/59/967341659.db2.gz HWQWDERILOIIQP-CYBMUJFWSA-N 2 1 236.334 2.447 20 0 BEADMP Cc1ccc(F)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205093908 967341671 /nfs/dbraw/zinc/34/16/71/967341671.db2.gz HWQWDERILOIIQP-CYBMUJFWSA-N 2 1 236.334 2.447 20 0 BEADMP Cc1csc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205102632 967345020 /nfs/dbraw/zinc/34/50/20/967345020.db2.gz UWUBOUPYXSNAAX-NSHDSACASA-N 2 1 224.373 2.370 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc(C)c1O ZINC001205109159 967351492 /nfs/dbraw/zinc/35/14/92/967351492.db2.gz BREWFHNQDBEIHN-CQSZACIVSA-N 2 1 248.370 2.322 20 0 BEADMP Cc1ccc(O)cc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205123662 967370897 /nfs/dbraw/zinc/37/08/97/967370897.db2.gz DQQMMZJGHMGMGA-ZDUSSCGKSA-N 2 1 234.343 2.014 20 0 BEADMP CC1(C[N@H+]2CCC[C@](C)([NH3+])CC2)CCOCC1 ZINC001205255021 967443314 /nfs/dbraw/zinc/44/33/14/967443314.db2.gz DVYXUCYTIQATIO-AWEZNQCLSA-N 2 1 240.391 2.006 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)[nH]1 ZINC001205264790 967457237 /nfs/dbraw/zinc/45/72/37/967457237.db2.gz MLKIBCCHLODNGU-CQSZACIVSA-N 2 1 235.375 2.335 20 0 BEADMP Cc1cccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)n1 ZINC001205263632 967457808 /nfs/dbraw/zinc/45/78/08/967457808.db2.gz AYQPIZZFEYKWLI-CQSZACIVSA-N 2 1 233.359 2.093 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cn1 ZINC001205289215 967479690 /nfs/dbraw/zinc/47/96/90/967479690.db2.gz UZOILGKDWRIMOF-OAHLLOKOSA-N 2 1 247.386 2.402 20 0 BEADMP Cc1ccc(O)cc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205296025 967496433 /nfs/dbraw/zinc/49/64/33/967496433.db2.gz DWPANXAHJJLRGJ-OAHLLOKOSA-N 2 1 248.370 2.404 20 0 BEADMP CNc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205315394 967520581 /nfs/dbraw/zinc/52/05/81/967520581.db2.gz FXWHCPLFYRNEKU-GXTWGEPZSA-N 2 1 247.386 2.145 20 0 BEADMP CSCCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205603586 967717152 /nfs/dbraw/zinc/71/71/52/967717152.db2.gz QOUFCKSHKPOONP-VXGBXAGGSA-N 2 1 230.421 2.046 20 0 BEADMP C[C@H]1CC[N@@H+](CCC(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205601788 967717255 /nfs/dbraw/zinc/71/72/55/967717255.db2.gz GKLZGIBPLFDCLZ-VHSXEESVSA-N 2 1 238.297 2.246 20 0 BEADMP C[C@@H]1CC[N@@H+](CC2CCCC2)CC[C@H]1C[NH3+] ZINC001205603036 967717638 /nfs/dbraw/zinc/71/76/38/967717638.db2.gz NDLGWDRBHQXXMY-OCCSQVGLSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@H]1CC[N@@H+](CC(C)(C)C)CC[C@H]1C[NH3+] ZINC001205599964 967719123 /nfs/dbraw/zinc/71/91/23/967719123.db2.gz ATMOFOCWWZEMDQ-RYUDHWBXSA-N 2 1 212.381 2.339 20 0 BEADMP CS[C@H](C)CC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205602587 967720215 /nfs/dbraw/zinc/72/02/15/967720215.db2.gz KBRQRGRPMILCNH-UPJWGTAASA-N 2 1 244.448 2.435 20 0 BEADMP CC[N@@H+](Cc1ccncc1C)C1CCN(C)CC1 ZINC001205851055 967855040 /nfs/dbraw/zinc/85/50/40/967855040.db2.gz UKECFXKKESGMRH-UHFFFAOYSA-N 2 1 247.386 2.306 20 0 BEADMP CCN(Cc1ccncc1C)C1CC[NH+](C)CC1 ZINC001205851055 967855044 /nfs/dbraw/zinc/85/50/44/967855044.db2.gz UKECFXKKESGMRH-UHFFFAOYSA-N 2 1 247.386 2.306 20 0 BEADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001205901958 967877260 /nfs/dbraw/zinc/87/72/60/967877260.db2.gz GJODZEHNHGRGSI-XLWJZTARSA-N 2 1 234.387 2.258 20 0 BEADMP COC(C)(C)CC[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205981916 967919092 /nfs/dbraw/zinc/91/90/92/967919092.db2.gz JBPQENOEYBIOTN-STQMWFEESA-N 2 1 242.407 2.108 20 0 BEADMP Cc1ncccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205991431 967938551 /nfs/dbraw/zinc/93/85/51/967938551.db2.gz ASKJQXBHIASASS-GXTWGEPZSA-N 2 1 247.386 2.197 20 0 BEADMP C[C@@H]1CC[N@@H+](CCCCCC[NH3+])C[C@H](C)O1 ZINC000694905250 967965975 /nfs/dbraw/zinc/96/59/75/967965975.db2.gz OFTVODGLFRMXLF-OLZOCXBDSA-N 2 1 228.380 2.005 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2cccc(N)c2)CCC[C@H]1C[NH3+] ZINC001206013476 967966490 /nfs/dbraw/zinc/96/64/90/967966490.db2.gz ROHKQXXPBVZDSF-OCCSQVGLSA-N 2 1 247.386 2.076 20 0 BEADMP C[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C[C@H]1C ZINC001206109603 968064771 /nfs/dbraw/zinc/06/47/71/968064771.db2.gz DEBMAQMUWMZXTR-UPJWGTAASA-N 2 1 240.391 2.079 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C[C@H]1C ZINC001206109603 968064774 /nfs/dbraw/zinc/06/47/74/968064774.db2.gz DEBMAQMUWMZXTR-UPJWGTAASA-N 2 1 240.391 2.079 20 0 BEADMP C[C@H]1CCC[C@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000693579981 968093131 /nfs/dbraw/zinc/09/31/31/968093131.db2.gz RJVFKKJWQKFCJX-RVMXOQNASA-N 2 1 210.365 2.234 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1CCC[NH2+]C[C@@H]1C ZINC001206258350 968180407 /nfs/dbraw/zinc/18/04/07/968180407.db2.gz WWEAEPREZPXZSD-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP Cc1cncc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206304977 968215029 /nfs/dbraw/zinc/21/50/29/968215029.db2.gz SJSNMFATYFVCFG-OAHLLOKOSA-N 2 1 247.386 2.341 20 0 BEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc(N)c2)CC1 ZINC001206317234 968221775 /nfs/dbraw/zinc/22/17/75/968221775.db2.gz DGBVWSGSQSZAMU-HNNXBMFYSA-N 2 1 247.386 2.220 20 0 BEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cnsc2)CC1 ZINC001206318535 968226261 /nfs/dbraw/zinc/22/62/61/968226261.db2.gz QYXPWAHZTNCHAL-GFCCVEGCSA-N 2 1 239.388 2.094 20 0 BEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccns2)CC1 ZINC001206318563 968226720 /nfs/dbraw/zinc/22/67/20/968226720.db2.gz RHNZKOWRWNYXIZ-GFCCVEGCSA-N 2 1 239.388 2.094 20 0 BEADMP Cc1cnccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206549589 968374461 /nfs/dbraw/zinc/37/44/61/968374461.db2.gz OZHSEOGGMSPLRZ-HNNXBMFYSA-N 2 1 247.386 2.341 20 0 BEADMP Cc1cnccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206549590 968374686 /nfs/dbraw/zinc/37/46/86/968374686.db2.gz OZHSEOGGMSPLRZ-OAHLLOKOSA-N 2 1 247.386 2.341 20 0 BEADMP Cc1ccnc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206549643 968376269 /nfs/dbraw/zinc/37/62/69/968376269.db2.gz PNKCJMQDRJQDAZ-HNNXBMFYSA-N 2 1 247.386 2.341 20 0 BEADMP C[C@H](C[N@H+]1CCCC[C@@H](C[NH3+])C1)C(F)(F)F ZINC001206606260 968414757 /nfs/dbraw/zinc/41/47/57/968414757.db2.gz IHCKOZFZPYFVED-ZJUUUORDSA-N 2 1 238.297 2.246 20 0 BEADMP CCc1cccc(C)c1C[NH+]1CC(C)(C[NH3+])C1 ZINC001206737766 968448356 /nfs/dbraw/zinc/44/83/56/968448356.db2.gz RCOVXFJLLTVXLP-UHFFFAOYSA-N 2 1 232.371 2.338 20 0 BEADMP C[NH+](C)CC(C)(C)CNc1cccn2cc[nH+]c12 ZINC001168766514 968537766 /nfs/dbraw/zinc/53/77/66/968537766.db2.gz MOHZUDHMHIMCFA-UHFFFAOYSA-N 2 1 246.358 2.334 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)CC1 ZINC001207395510 968752099 /nfs/dbraw/zinc/75/20/99/968752099.db2.gz SHCHXBZWVTZPKJ-HUUCEWRRSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1CCC(CC[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)CC1 ZINC001207481507 968794347 /nfs/dbraw/zinc/79/43/47/968794347.db2.gz JMFFQUXYMSTKJH-MELADBBJSA-N 2 1 240.366 2.008 20 0 BEADMP C[NH+]1CCC(CC[N@H+]2CCn3cccc3C2)CC1 ZINC001207483097 968799228 /nfs/dbraw/zinc/79/92/28/968799228.db2.gz CZVCVNFVWWXDSV-UHFFFAOYSA-N 2 1 247.386 2.036 20 0 BEADMP CC1(C)CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000829276674 968830469 /nfs/dbraw/zinc/83/04/69/968830469.db2.gz WSGWTXHCGSLCCI-ZDUSSCGKSA-N 2 1 224.392 2.498 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]2C1 ZINC001207620063 968836387 /nfs/dbraw/zinc/83/63/87/968836387.db2.gz HMJCRRCXOUHDCZ-GCSSGZNBSA-N 2 1 246.398 2.082 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]2C1 ZINC001207620063 968836388 /nfs/dbraw/zinc/83/63/88/968836388.db2.gz HMJCRRCXOUHDCZ-GCSSGZNBSA-N 2 1 246.398 2.082 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]2C1 ZINC001207620063 968836389 /nfs/dbraw/zinc/83/63/89/968836389.db2.gz HMJCRRCXOUHDCZ-GCSSGZNBSA-N 2 1 246.398 2.082 20 0 BEADMP C[NH+](C)CCC[N@@H+](C)C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207616191 968837179 /nfs/dbraw/zinc/83/71/79/968837179.db2.gz UHRJAZNSVAYTQX-MJBXVCDLSA-N 2 1 222.376 2.082 20 0 BEADMP C[NH+](C)CCC[N@@H+](C)C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207616190 968838705 /nfs/dbraw/zinc/83/87/05/968838705.db2.gz UHRJAZNSVAYTQX-BFHYXJOUSA-N 2 1 222.376 2.082 20 0 BEADMP C[N@@H+](C[C@@H]1C[C@H]2C=C[C@@H]1C2)CC1CC[NH+](C)CC1 ZINC001207626419 968841745 /nfs/dbraw/zinc/84/17/45/968841745.db2.gz FCCXXHNSCUBALW-XHSDSOJGSA-N 2 1 248.414 2.472 20 0 BEADMP CC[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]2C1 ZINC001207633791 968851050 /nfs/dbraw/zinc/85/10/50/968851050.db2.gz AHMDPMKVRROYAA-XFIYOXNOSA-N 2 1 246.398 2.082 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]2C1 ZINC001207633791 968851053 /nfs/dbraw/zinc/85/10/53/968851053.db2.gz AHMDPMKVRROYAA-XFIYOXNOSA-N 2 1 246.398 2.082 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@H+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]2C1 ZINC001207633791 968851058 /nfs/dbraw/zinc/85/10/58/968851058.db2.gz AHMDPMKVRROYAA-XFIYOXNOSA-N 2 1 246.398 2.082 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2CC2)C1 ZINC000165277919 968867557 /nfs/dbraw/zinc/86/75/57/968867557.db2.gz HZTREZVDQLQLLN-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1ccc(CCC[N@H+](C)CCC[NH+](C)C)o1 ZINC001207937454 968937488 /nfs/dbraw/zinc/93/74/88/968937488.db2.gz KCFKSDPPOOHCOV-UHFFFAOYSA-N 2 1 238.375 2.404 20 0 BEADMP C[N@@H+]1CC=C(c2ccc3[nH]cc(C[NH3+])c3c2)CC1 ZINC001241331378 968977856 /nfs/dbraw/zinc/97/78/56/968977856.db2.gz ADYNSWHQAKNMDD-UHFFFAOYSA-N 2 1 241.338 2.346 20 0 BEADMP CC(C)C[N@@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208105515 969000498 /nfs/dbraw/zinc/00/04/98/969000498.db2.gz WGUQRBPCMSXABB-UHFFFAOYSA-N 2 1 212.381 2.306 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCCC(F)(F)CC2)C1 ZINC001208604160 969155379 /nfs/dbraw/zinc/15/53/79/969155379.db2.gz LTBXETHRTYDYNW-GFCCVEGCSA-N 2 1 246.345 2.449 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCCC(F)(F)CC2)C1 ZINC001208604160 969155382 /nfs/dbraw/zinc/15/53/82/969155382.db2.gz LTBXETHRTYDYNW-GFCCVEGCSA-N 2 1 246.345 2.449 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@H+]2CCCC(F)(F)CC2)C1 ZINC001208604160 969155384 /nfs/dbraw/zinc/15/53/84/969155384.db2.gz LTBXETHRTYDYNW-GFCCVEGCSA-N 2 1 246.345 2.449 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@H]3CCC[C@@H]3C2)C1 ZINC001208605181 969156912 /nfs/dbraw/zinc/15/69/12/969156912.db2.gz AJMCXDZMFNZIRN-SOUVJXGZSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)C1 ZINC001208605181 969156920 /nfs/dbraw/zinc/15/69/20/969156920.db2.gz AJMCXDZMFNZIRN-SOUVJXGZSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)C1 ZINC001208605181 969156925 /nfs/dbraw/zinc/15/69/25/969156925.db2.gz AJMCXDZMFNZIRN-SOUVJXGZSA-N 2 1 236.403 2.450 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC001208608728 969163333 /nfs/dbraw/zinc/16/33/33/969163333.db2.gz WJGJKNNQKBKVAA-SOUVJXGZSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC001208608728 969163338 /nfs/dbraw/zinc/16/33/38/969163338.db2.gz WJGJKNNQKBKVAA-SOUVJXGZSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC001208608728 969163342 /nfs/dbraw/zinc/16/33/42/969163342.db2.gz WJGJKNNQKBKVAA-SOUVJXGZSA-N 2 1 236.403 2.450 20 0 BEADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@](C)(F)C2)C1 ZINC001208607641 969165714 /nfs/dbraw/zinc/16/57/14/969165714.db2.gz MGQUZJLZCQXHRY-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@](C)(F)C2)C1 ZINC001208607641 969165716 /nfs/dbraw/zinc/16/57/16/969165716.db2.gz MGQUZJLZCQXHRY-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@](C)(F)C2)C1 ZINC001208607641 969165724 /nfs/dbraw/zinc/16/57/24/969165724.db2.gz MGQUZJLZCQXHRY-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@](C)(F)C2)C1 ZINC001208607641 969165728 /nfs/dbraw/zinc/16/57/28/969165728.db2.gz MGQUZJLZCQXHRY-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@H](C[N@H+](CC2CC2)C2CC2)C1 ZINC001208619665 969174734 /nfs/dbraw/zinc/17/47/34/969174734.db2.gz YVMVYKQSVMZYTM-ZDUSSCGKSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@@H+]1CCC[C@H](C[NH+](CC2CC2)C2CC2)C1 ZINC001208619665 969174725 /nfs/dbraw/zinc/17/47/25/969174725.db2.gz YVMVYKQSVMZYTM-ZDUSSCGKSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+](CC2CC2)C2CC2)C1 ZINC001208619665 969174730 /nfs/dbraw/zinc/17/47/30/969174730.db2.gz YVMVYKQSVMZYTM-ZDUSSCGKSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@@H+]1CCC[C@@H](C[NH+](CC2CC2)C2CC2)C1 ZINC001208619663 969176971 /nfs/dbraw/zinc/17/69/71/969176971.db2.gz YVMVYKQSVMZYTM-CYBMUJFWSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+](CC2CC2)C2CC2)C1 ZINC001208619663 969176973 /nfs/dbraw/zinc/17/69/73/969176973.db2.gz YVMVYKQSVMZYTM-CYBMUJFWSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@H+](CC2CC2)C2CC2)C1 ZINC001208619663 969176980 /nfs/dbraw/zinc/17/69/80/969176980.db2.gz YVMVYKQSVMZYTM-CYBMUJFWSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@@H+](CC2CC2)C2CC2)C1 ZINC001208619663 969176981 /nfs/dbraw/zinc/17/69/81/969176981.db2.gz YVMVYKQSVMZYTM-CYBMUJFWSA-N 2 1 222.376 2.203 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)CCC1CC1 ZINC001208686647 969195604 /nfs/dbraw/zinc/19/56/04/969195604.db2.gz ONVVNKVBKLBQAW-UHFFFAOYSA-N 2 1 212.381 2.450 20 0 BEADMP Cc1cccc2c1[nH+]c(N)n2C1=CC[N@@H+](C)CC1 ZINC001208717933 969203941 /nfs/dbraw/zinc/20/39/41/969203941.db2.gz HVNZQUXQFNMQMD-UHFFFAOYSA-N 2 1 242.326 2.103 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)ccn1 ZINC001205991616 969209235 /nfs/dbraw/zinc/20/92/35/969209235.db2.gz BCMLJZUQJNZGKH-DOMZBBRYSA-N 2 1 247.386 2.197 20 0 BEADMP CC(C)CCC[N@H+](C)C1CC[NH+](C)CC1 ZINC001208733064 969218584 /nfs/dbraw/zinc/21/85/84/969218584.db2.gz BIIUIDXDGUVZHQ-UHFFFAOYSA-N 2 1 212.381 2.449 20 0 BEADMP CC(C)CCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001208733064 969218589 /nfs/dbraw/zinc/21/85/89/969218589.db2.gz BIIUIDXDGUVZHQ-UHFFFAOYSA-N 2 1 212.381 2.449 20 0 BEADMP C[C@H]1C[N@@H+](Cc2cccc(O)c2)CCC[C@H]1C[NH3+] ZINC001205994860 969251189 /nfs/dbraw/zinc/25/11/89/969251189.db2.gz MRXXEWXQTKUXRF-JSGCOSHPSA-N 2 1 248.370 2.199 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H](O)C(C)(C)C ZINC001253731965 969353904 /nfs/dbraw/zinc/35/39/04/969353904.db2.gz ZNXKXPCDBUPNNZ-ZDUSSCGKSA-N 2 1 244.423 2.057 20 0 BEADMP Cc1ncccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169093047 969386119 /nfs/dbraw/zinc/38/61/19/969386119.db2.gz FIGGPXKAFISTLS-QDMKHBRRSA-N 2 1 245.370 2.105 20 0 BEADMP Cc1ncccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169093047 969386123 /nfs/dbraw/zinc/38/61/23/969386123.db2.gz FIGGPXKAFISTLS-QDMKHBRRSA-N 2 1 245.370 2.105 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1F)C2 ZINC001169080378 969403027 /nfs/dbraw/zinc/40/30/27/969403027.db2.gz MWUXDOJWBLKYPA-PDWCTOEPSA-N 2 1 240.366 2.339 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)C2 ZINC001169081777 969403166 /nfs/dbraw/zinc/40/31/66/969403166.db2.gz WHIMNTJBEJATAL-WISYIIOYSA-N 2 1 244.329 2.389 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1C ZINC001169090175 969406958 /nfs/dbraw/zinc/40/69/58/969406958.db2.gz ICUHNMGOUVOPHY-BTTYYORXSA-N 2 1 247.386 2.048 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1C ZINC001169090175 969406964 /nfs/dbraw/zinc/40/69/64/969406964.db2.gz ICUHNMGOUVOPHY-BTTYYORXSA-N 2 1 247.386 2.048 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C3CCC1CC3)C2 ZINC001169139971 969414412 /nfs/dbraw/zinc/41/44/12/969414412.db2.gz GUCFCGZIVKBCMD-TWASESMYSA-N 2 1 220.360 2.238 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C3CCC1CC3)C2 ZINC001169139971 969414420 /nfs/dbraw/zinc/41/44/20/969414420.db2.gz GUCFCGZIVKBCMD-TWASESMYSA-N 2 1 220.360 2.238 20 0 BEADMP C[C@H]1CCCC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123387 969419678 /nfs/dbraw/zinc/41/96/78/969419678.db2.gz KOLAETVAOWQEGT-FQUUOJAGSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@H]1CCCC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123387 969419682 /nfs/dbraw/zinc/41/96/82/969419682.db2.gz KOLAETVAOWQEGT-FQUUOJAGSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@H]1CCCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169123387 969419686 /nfs/dbraw/zinc/41/96/86/969419686.db2.gz KOLAETVAOWQEGT-FQUUOJAGSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@H]1CCCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169123387 969419689 /nfs/dbraw/zinc/41/96/89/969419689.db2.gz KOLAETVAOWQEGT-FQUUOJAGSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@H]1CCCC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123388 969420819 /nfs/dbraw/zinc/42/08/19/969420819.db2.gz KOLAETVAOWQEGT-IGQOVBAYSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@H]1CCCC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123388 969420826 /nfs/dbraw/zinc/42/08/26/969420826.db2.gz KOLAETVAOWQEGT-IGQOVBAYSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@H]1CCCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169123388 969420830 /nfs/dbraw/zinc/42/08/30/969420830.db2.gz KOLAETVAOWQEGT-IGQOVBAYSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@H]1CCCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169123388 969420841 /nfs/dbraw/zinc/42/08/41/969420841.db2.gz KOLAETVAOWQEGT-IGQOVBAYSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169123421 969422162 /nfs/dbraw/zinc/42/21/62/969422162.db2.gz LGOKUHAUQIJXDM-MQYQWHSLSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169123421 969422165 /nfs/dbraw/zinc/42/21/65/969422165.db2.gz LGOKUHAUQIJXDM-MQYQWHSLSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169123421 969422173 /nfs/dbraw/zinc/42/21/73/969422173.db2.gz LGOKUHAUQIJXDM-MQYQWHSLSA-N 2 1 222.376 2.344 20 0 BEADMP CC[N@H+](C1CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125777 969425924 /nfs/dbraw/zinc/42/59/24/969425924.db2.gz LENVIXQTYZSONT-CLLJXQQHSA-N 2 1 208.349 2.096 20 0 BEADMP CC[N@@H+](C1CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125777 969425929 /nfs/dbraw/zinc/42/59/29/969425929.db2.gz LENVIXQTYZSONT-CLLJXQQHSA-N 2 1 208.349 2.096 20 0 BEADMP CC1CC([N@@H+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169126119 969428013 /nfs/dbraw/zinc/42/80/13/969428013.db2.gz PVYJTFAQSVDXSE-RLILJNEXSA-N 2 1 222.376 2.342 20 0 BEADMP CC1CC([NH+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169126119 969428016 /nfs/dbraw/zinc/42/80/16/969428016.db2.gz PVYJTFAQSVDXSE-RLILJNEXSA-N 2 1 222.376 2.342 20 0 BEADMP CC1CC([NH+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169126119 969428020 /nfs/dbraw/zinc/42/80/20/969428020.db2.gz PVYJTFAQSVDXSE-RLILJNEXSA-N 2 1 222.376 2.342 20 0 BEADMP CC[C@H](C)[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169130911 969439605 /nfs/dbraw/zinc/43/96/05/969439605.db2.gz PWAGAJCAABTMGH-RVMXOQNASA-N 2 1 210.365 2.342 20 0 BEADMP CC[C@H](C)[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169130911 969439613 /nfs/dbraw/zinc/43/96/13/969439613.db2.gz PWAGAJCAABTMGH-RVMXOQNASA-N 2 1 210.365 2.342 20 0 BEADMP CC[C@H](C)[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169130911 969439620 /nfs/dbraw/zinc/43/96/20/969439620.db2.gz PWAGAJCAABTMGH-RVMXOQNASA-N 2 1 210.365 2.342 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC3(C1)CCCC3)C2 ZINC001169129860 969439852 /nfs/dbraw/zinc/43/98/52/969439852.db2.gz KYWOUGLHXMCYIC-WDNDVIMCSA-N 2 1 234.387 2.488 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1C=CCCC1)C2 ZINC001169115281 969455354 /nfs/dbraw/zinc/45/53/54/969455354.db2.gz ICHMIQQWVOQYMS-SYQHCUMBSA-N 2 1 220.360 2.310 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@H]3CC[C@@H]1C3)C2 ZINC001169148088 969463340 /nfs/dbraw/zinc/46/33/40/969463340.db2.gz YJLZGUKQTQBEGS-ODXJTPSBSA-N 2 1 220.360 2.096 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@H]3CC[C@@H]1C3)C2 ZINC001169148088 969463347 /nfs/dbraw/zinc/46/33/47/969463347.db2.gz YJLZGUKQTQBEGS-ODXJTPSBSA-N 2 1 220.360 2.096 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@H]3CC[C@@H]1C3)C2 ZINC001169148088 969463355 /nfs/dbraw/zinc/46/33/55/969463355.db2.gz YJLZGUKQTQBEGS-ODXJTPSBSA-N 2 1 220.360 2.096 20 0 BEADMP C(C[NH+]1CC2(CCC2)C1)C[NH+]1CCCCC1 ZINC001209449968 969516951 /nfs/dbraw/zinc/51/69/51/969516951.db2.gz NHSSBSPTLDCVCC-UHFFFAOYSA-N 2 1 222.376 2.348 20 0 BEADMP CC[NH+]1CCC([NH+]2C[C@H]3CCC[C@@H]3C2)CC1 ZINC001169246677 969536992 /nfs/dbraw/zinc/53/69/92/969536992.db2.gz UOVRTILIAQFLPG-CHWSQXEVSA-N 2 1 222.376 2.203 20 0 BEADMP CCN1CCC([N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001169261193 969546181 /nfs/dbraw/zinc/54/61/81/969546181.db2.gz COGMJGNCZWRSPO-BETUJISGSA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+]1CCC([N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001169261193 969546187 /nfs/dbraw/zinc/54/61/87/969546187.db2.gz COGMJGNCZWRSPO-BETUJISGSA-N 2 1 224.392 2.449 20 0 BEADMP C[N@@H+]1C[C@@H]2C[NH+](C3CCC(F)(F)CC3)C[C@@H]2C1 ZINC001254224780 969549230 /nfs/dbraw/zinc/54/92/30/969549230.db2.gz AIXUGROFIWHNPH-PHIMTYICSA-N 2 1 244.329 2.058 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+](C3CCC(F)(F)CC3)C[C@@H]2C1 ZINC001254224780 969549232 /nfs/dbraw/zinc/54/92/32/969549232.db2.gz AIXUGROFIWHNPH-PHIMTYICSA-N 2 1 244.329 2.058 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](C3CCC(F)(F)CC3)C[C@@H]2C1 ZINC001254224780 969549237 /nfs/dbraw/zinc/54/92/37/969549237.db2.gz AIXUGROFIWHNPH-PHIMTYICSA-N 2 1 244.329 2.058 20 0 BEADMP Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)[nH]1 ZINC001209574805 969558525 /nfs/dbraw/zinc/55/85/25/969558525.db2.gz VNJMOAZQEAPTAR-UHFFFAOYSA-N 2 1 247.386 2.241 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H](F)CC2)CC1 ZINC001254496961 969659328 /nfs/dbraw/zinc/65/93/28/969659328.db2.gz BKNQMQOUYUNDFD-RWMBFGLXSA-N 2 1 228.355 2.341 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CC[C@@H](F)C2)CC1 ZINC001254497632 969660015 /nfs/dbraw/zinc/66/00/15/969660015.db2.gz LUQLVJDLVBIWTK-UPJWGTAASA-N 2 1 228.355 2.199 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC001254499210 969660094 /nfs/dbraw/zinc/66/00/94/969660094.db2.gz COOIREBYZWWATD-VXGBXAGGSA-N 2 1 246.345 2.496 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+]C(C)(C)c2cccnc2)CC1 ZINC001254498159 969661126 /nfs/dbraw/zinc/66/11/26/969661126.db2.gz TXYZGSVAIPFSED-AWEZNQCLSA-N 2 1 247.386 2.391 20 0 BEADMP C[N@@H+](C1CC(F)(F)C1)[C@H]1CCC[NH+](C)CC1 ZINC001254515840 969688429 /nfs/dbraw/zinc/68/84/29/969688429.db2.gz DXEIFRFNCRHOJY-JTQLQIEISA-N 2 1 232.318 2.200 20 0 BEADMP C[NH+](C1CC(F)(F)C1)[C@H]1CCC[N@H+](C)CC1 ZINC001254515840 969688435 /nfs/dbraw/zinc/68/84/35/969688435.db2.gz DXEIFRFNCRHOJY-JTQLQIEISA-N 2 1 232.318 2.200 20 0 BEADMP C[NH+](C1CC(F)(F)C1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254515840 969688439 /nfs/dbraw/zinc/68/84/39/969688439.db2.gz DXEIFRFNCRHOJY-JTQLQIEISA-N 2 1 232.318 2.200 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2CCC(C)(F)CC2)CC1 ZINC001254516165 969689004 /nfs/dbraw/zinc/68/90/04/969689004.db2.gz JKXPPGKGGDFKLX-LBPRGKRZSA-N 2 1 228.355 2.295 20 0 BEADMP CC1CC([N@@H+](C)[C@H]2CCC[NH+](C)CC2)C1 ZINC001254517238 969696756 /nfs/dbraw/zinc/69/67/56/969696756.db2.gz SOFLMXVDLFWUNY-CPCZMJQVSA-N 2 1 210.365 2.201 20 0 BEADMP CC1CC([NH+](C)[C@H]2CCC[N@H+](C)CC2)C1 ZINC001254517238 969696765 /nfs/dbraw/zinc/69/67/65/969696765.db2.gz SOFLMXVDLFWUNY-CPCZMJQVSA-N 2 1 210.365 2.201 20 0 BEADMP CC1CC([NH+](C)[C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254517238 969696769 /nfs/dbraw/zinc/69/67/69/969696769.db2.gz SOFLMXVDLFWUNY-CPCZMJQVSA-N 2 1 210.365 2.201 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2CCC23CCCC3)CC1 ZINC001254520688 969703329 /nfs/dbraw/zinc/70/33/29/969703329.db2.gz PGFFFOPLYLCTIX-ZDUSSCGKSA-N 2 1 222.376 2.489 20 0 BEADMP C[NH+]1CCC[C@H]([N@@H+]2CCC23CCCC3)CC1 ZINC001254520688 969703340 /nfs/dbraw/zinc/70/33/40/969703340.db2.gz PGFFFOPLYLCTIX-ZDUSSCGKSA-N 2 1 222.376 2.489 20 0 BEADMP C[NH+]1CCC[C@H]([N@H+]2CCC23CCCC3)CC1 ZINC001254520688 969703348 /nfs/dbraw/zinc/70/33/48/969703348.db2.gz PGFFFOPLYLCTIX-ZDUSSCGKSA-N 2 1 222.376 2.489 20 0 BEADMP C[N@@H+](CC1CCC1)[C@H]1CCC[NH+](C)CC1 ZINC001254522189 969706432 /nfs/dbraw/zinc/70/64/32/969706432.db2.gz DOBKPESONSXYBD-ZDUSSCGKSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+](CC1CCC1)[C@H]1CCC[N@H+](C)CC1 ZINC001254522189 969706439 /nfs/dbraw/zinc/70/64/39/969706439.db2.gz DOBKPESONSXYBD-ZDUSSCGKSA-N 2 1 210.365 2.203 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2C3CCC2CC3)CC1 ZINC001254523361 969712629 /nfs/dbraw/zinc/71/26/29/969712629.db2.gz OLVLLZXVEPZPAK-PNESKVBLSA-N 2 1 208.349 2.098 20 0 BEADMP CC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH+](C)CC1 ZINC001254525714 969715374 /nfs/dbraw/zinc/71/53/74/969715374.db2.gz LILNHTZITGPQCT-OAHLLOKOSA-N 2 1 247.386 2.388 20 0 BEADMP CC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH+](C)CC1 ZINC001254525714 969715380 /nfs/dbraw/zinc/71/53/80/969715380.db2.gz LILNHTZITGPQCT-OAHLLOKOSA-N 2 1 247.386 2.388 20 0 BEADMP CC[NH+](Cc1ccccn1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254525714 969715383 /nfs/dbraw/zinc/71/53/83/969715383.db2.gz LILNHTZITGPQCT-OAHLLOKOSA-N 2 1 247.386 2.388 20 0 BEADMP CC[NH+](Cc1ccccn1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254525714 969715389 /nfs/dbraw/zinc/71/53/89/969715389.db2.gz LILNHTZITGPQCT-OAHLLOKOSA-N 2 1 247.386 2.388 20 0 BEADMP Cc1c[nH+]cc(NCC[C@H]2CCC[NH2+]2)c1C ZINC001169567279 969765976 /nfs/dbraw/zinc/76/59/76/969765976.db2.gz JAPZLUSGANHKHP-GFCCVEGCSA-N 2 1 219.332 2.252 20 0 BEADMP CC(C)(C)C(=[NH2+])N[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254833414 969795606 /nfs/dbraw/zinc/79/56/06/969795606.db2.gz PLLSLMZLMRIRTP-LLVKDONJSA-N 2 1 223.364 2.084 20 0 BEADMP CC(C)[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255034693 969857976 /nfs/dbraw/zinc/85/79/76/969857976.db2.gz LIKOVRXMFUDXPL-JOCQHMNTSA-N 2 1 240.391 2.146 20 0 BEADMP C1C[NH+](C2CC[NH+](C3CCSCC3)CC2)C1 ZINC001255096978 969935099 /nfs/dbraw/zinc/93/50/99/969935099.db2.gz SMIWBYIFKYMIHG-UHFFFAOYSA-N 2 1 240.416 2.052 20 0 BEADMP COc1cc(Nc2ccnc(CO)c2)cc(C)n1 ZINC001210779069 970028082 /nfs/dbraw/zinc/02/80/82/970028082.db2.gz FIFUTPNWKPJQEV-UHFFFAOYSA-N 2 1 245.282 2.030 20 0 BEADMP [NH3+]CCC[C@H]1CCCC[N@H+]([C@H]2CCSC2)C1 ZINC001255280325 970032222 /nfs/dbraw/zinc/03/22/22/970032222.db2.gz YYUDMKSOSWSDCI-OLZOCXBDSA-N 2 1 242.432 2.333 20 0 BEADMP Cc1cc2cc(C[NH3+])ccc2n1[C@H]1CC[N@H+](C)C1 ZINC001255414126 970133857 /nfs/dbraw/zinc/13/38/57/970133857.db2.gz QLBXUFAQEQESJX-AWEZNQCLSA-N 2 1 243.354 2.285 20 0 BEADMP CCc1ccc(C)nc1Nc1cncn1C ZINC001211245283 970189047 /nfs/dbraw/zinc/18/90/47/970189047.db2.gz GRPFYXZZTWWTPZ-UHFFFAOYSA-N 2 1 216.288 2.430 20 0 BEADMP C[N@H+]1CCC[C@H](n2ccc3ccc(C[NH3+])cc32)C1 ZINC001255470712 970198604 /nfs/dbraw/zinc/19/86/04/970198604.db2.gz OXFNCMLGWJMFGJ-AWEZNQCLSA-N 2 1 243.354 2.367 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001170098023 970269421 /nfs/dbraw/zinc/26/94/21/970269421.db2.gz JSPHJAIIQVNIML-XGFWRYKXSA-N 2 1 222.376 2.390 20 0 BEADMP COC[C@@H](C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255563787 970355499 /nfs/dbraw/zinc/35/54/99/970355499.db2.gz YIERISSPWMMSOO-JHJVBQTASA-N 2 1 228.380 2.002 20 0 BEADMP CC(C)[N@H+](C)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255673811 970449890 /nfs/dbraw/zinc/44/98/90/970449890.db2.gz FURZUVUFEZEWKP-FUNVUKJBSA-N 2 1 210.365 2.342 20 0 BEADMP CC(C)[N@@H+](C)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255673811 970449899 /nfs/dbraw/zinc/44/98/99/970449899.db2.gz FURZUVUFEZEWKP-FUNVUKJBSA-N 2 1 210.365 2.342 20 0 BEADMP CC(C)[NH+](C)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255673811 970449907 /nfs/dbraw/zinc/44/99/07/970449907.db2.gz FURZUVUFEZEWKP-FUNVUKJBSA-N 2 1 210.365 2.342 20 0 BEADMP CC(C)[NH+](C)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255673811 970449911 /nfs/dbraw/zinc/44/99/11/970449911.db2.gz FURZUVUFEZEWKP-FUNVUKJBSA-N 2 1 210.365 2.342 20 0 BEADMP C[C@@H]1CC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255674978 970450822 /nfs/dbraw/zinc/45/08/22/970450822.db2.gz WLSKMFRFNQGOEX-HABKJSAYSA-N 2 1 222.376 2.344 20 0 BEADMP Cc1ccc(C[C@@H](C)n2c[nH+]cc2CC[NH3+])cc1 ZINC001255774163 970477746 /nfs/dbraw/zinc/47/77/46/970477746.db2.gz XMEHKGWRIJZBOL-CYBMUJFWSA-N 2 1 243.354 2.496 20 0 BEADMP C[C@H](Cc1ccccc1F)n1c[nH+]cc1CC[NH3+] ZINC001255829169 970502682 /nfs/dbraw/zinc/50/26/82/970502682.db2.gz DXZKQJYIXPIREP-LLVKDONJSA-N 2 1 247.317 2.327 20 0 BEADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)Cc1ccccc1F ZINC001255841327 970510251 /nfs/dbraw/zinc/51/02/51/970510251.db2.gz RTIAIMVEZPOHGW-RYUDHWBXSA-N 2 1 238.350 2.283 20 0 BEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H](C)Cc1ccccc1F ZINC001255841325 970514050 /nfs/dbraw/zinc/51/40/50/970514050.db2.gz RTIAIMVEZPOHGW-NEPJUHHUSA-N 2 1 238.350 2.283 20 0 BEADMP CSC[C@@H]1CCC[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000400130858 970548661 /nfs/dbraw/zinc/54/86/61/970548661.db2.gz SBEGGUXVCUMSGP-QWHCGFSZSA-N 2 1 242.432 2.204 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000400131570 970552363 /nfs/dbraw/zinc/55/23/63/970552363.db2.gz VGFZHIKAIFMQNU-FKZOYECMSA-N 2 1 222.376 2.093 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCOC[C@H](C)C1 ZINC001255956734 970588562 /nfs/dbraw/zinc/58/85/62/970588562.db2.gz LVSYCTOZMADNKP-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCOC[C@H](C)C1 ZINC001255956734 970588578 /nfs/dbraw/zinc/58/85/78/970588578.db2.gz LVSYCTOZMADNKP-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CC([C@@H](C)OC)C1 ZINC001255970749 970606634 /nfs/dbraw/zinc/60/66/34/970606634.db2.gz FPBUHCQEOPRMSD-CHWSQXEVSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@@H]1C[C@@H]([N@@H+](CC)CCC[NH+](C)C)CCO1 ZINC001170238947 970615538 /nfs/dbraw/zinc/61/55/38/970615538.db2.gz LJMXGNAMYNBNQR-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP F[C@H]1CCC[N@@H+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256073616 970641216 /nfs/dbraw/zinc/64/12/16/970641216.db2.gz XJTITBCTUDNUBD-LBPRGKRZSA-N 2 1 240.366 2.437 20 0 BEADMP F[C@H]1CCC[N@H+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256073616 970641223 /nfs/dbraw/zinc/64/12/23/970641223.db2.gz XJTITBCTUDNUBD-LBPRGKRZSA-N 2 1 240.366 2.437 20 0 BEADMP C1CC1[NH+]1CCC([N@@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC001256073254 970643325 /nfs/dbraw/zinc/64/33/25/970643325.db2.gz PWOSKNKSZCQSTC-BETUJISGSA-N 2 1 234.387 2.345 20 0 BEADMP C1CC1[NH+]1CCC([N@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC001256073254 970643328 /nfs/dbraw/zinc/64/33/28/970643328.db2.gz PWOSKNKSZCQSTC-BETUJISGSA-N 2 1 234.387 2.345 20 0 BEADMP CC[C@@H]1CC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256082048 970648977 /nfs/dbraw/zinc/64/89/77/970648977.db2.gz JMRUMHBXSSOFKP-GFCCVEGCSA-N 2 1 222.376 2.345 20 0 BEADMP CC[C@@H]1CC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256082048 970648987 /nfs/dbraw/zinc/64/89/87/970648987.db2.gz JMRUMHBXSSOFKP-GFCCVEGCSA-N 2 1 222.376 2.345 20 0 BEADMP CC1(C)[C@@H]2C[N@H+](C3CC[NH+](C4CC4)CC3)C[C@@H]21 ZINC001256078635 970649164 /nfs/dbraw/zinc/64/91/64/970649164.db2.gz BTPRRBNMIZETII-OKILXGFUSA-N 2 1 234.387 2.201 20 0 BEADMP CC1(C)[C@@H]2C[N@@H+](C3CC[NH+](C4CC4)CC3)C[C@@H]21 ZINC001256078635 970649171 /nfs/dbraw/zinc/64/91/71/970649171.db2.gz BTPRRBNMIZETII-OKILXGFUSA-N 2 1 234.387 2.201 20 0 BEADMP C1CC1[NH+]1CCC([N@@H+]2CCC3(CCC3)C2)CC1 ZINC001256080508 970649469 /nfs/dbraw/zinc/64/94/69/970649469.db2.gz YAINNGGYVCFLSX-UHFFFAOYSA-N 2 1 234.387 2.489 20 0 BEADMP C1CC1[NH+]1CCC([N@H+]2CCC3(CCC3)C2)CC1 ZINC001256080508 970649478 /nfs/dbraw/zinc/64/94/78/970649478.db2.gz YAINNGGYVCFLSX-UHFFFAOYSA-N 2 1 234.387 2.489 20 0 BEADMP CC(=O)c1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC001256197521 970689687 /nfs/dbraw/zinc/68/96/87/970689687.db2.gz KAKHIQFQKVEJSB-UHFFFAOYSA-N 2 1 246.354 2.073 20 0 BEADMP CCCC1([NH2+]C2CC[NH+](C)CC2)CCC1 ZINC001256199914 970696306 /nfs/dbraw/zinc/69/63/06/970696306.db2.gz YPORYTYVIYMOJU-UHFFFAOYSA-N 2 1 210.365 2.393 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2CCCc3ccncc32)CC1 ZINC001256201462 970697694 /nfs/dbraw/zinc/69/76/94/970697694.db2.gz DLJBZXGHYUCRQP-OAHLLOKOSA-N 2 1 245.370 2.143 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)C1 ZINC001246549972 972701432 /nfs/dbraw/zinc/70/14/32/972701432.db2.gz IXCDXLRHZATUQO-JHJVBQTASA-N 2 1 210.365 2.378 20 0 BEADMP Cc1cccc2c1CC[N@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246550316 972704843 /nfs/dbraw/zinc/70/48/43/972704843.db2.gz VIXGTXCIWCJFAA-UKRRQHHQSA-N 2 1 244.382 2.494 20 0 BEADMP C[C@H](CC1CC1)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246566885 972817873 /nfs/dbraw/zinc/81/78/73/972817873.db2.gz JVMNQNOJMLNGTE-BZPMIXESSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001246577790 972894306 /nfs/dbraw/zinc/89/43/06/972894306.db2.gz PPYPWULJAVSTJH-DGAVXFQQSA-N 2 1 222.376 2.236 20 0 BEADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCCSC2)C1 ZINC001246583905 972950591 /nfs/dbraw/zinc/95/05/91/972950591.db2.gz LRGMKILJWLNENE-CHWSQXEVSA-N 2 1 242.432 2.333 20 0 BEADMP C[C@H](Cc1ccncc1)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246590584 973000096 /nfs/dbraw/zinc/00/00/96/973000096.db2.gz HHTRHMIAFNEUCN-UKRRQHHQSA-N 2 1 247.386 2.073 20 0 BEADMP CCC[C@@H](C)CC[C@H](C)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246665976 973074880 /nfs/dbraw/zinc/07/48/80/973074880.db2.gz VOMDTPRPHJXJAN-XHJNMGKDSA-N 2 1 224.392 2.480 20 0 BEADMP CCc1ccc(C[C@@H](C)[N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC001246661455 973075470 /nfs/dbraw/zinc/07/54/70/973075470.db2.gz XPUHYORMDQDULT-FWYOQMDTSA-N 2 1 244.382 2.069 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)C[C@H]1C ZINC001246870042 973243893 /nfs/dbraw/zinc/24/38/93/973243893.db2.gz YDIUWPDLKVJLOP-NIFZNCRKSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)C[C@H]1C ZINC001246870040 973244373 /nfs/dbraw/zinc/24/43/73/973244373.db2.gz YDIUWPDLKVJLOP-MRLBHPIUSA-N 2 1 236.403 2.495 20 0 BEADMP C1[NH2+][C@H]2C[N@H+](C3CCC4(CCCC4)CC3)C[C@H]12 ZINC001246913952 973443095 /nfs/dbraw/zinc/44/30/95/973443095.db2.gz BQANWVOZPFQZJG-JSGCOSHPSA-N 2 1 234.387 2.393 20 0 BEADMP CCC[C@@H](CC)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246935408 973612399 /nfs/dbraw/zinc/61/23/99/973612399.db2.gz VDCBVLSCNVUNNM-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)[N@H+]1CCC[C@H](OCCCC[NH+](C)C)C1 ZINC001224991613 974122457 /nfs/dbraw/zinc/12/24/57/974122457.db2.gz XIBNKMZKUBVVLM-AWEZNQCLSA-N 2 1 242.407 2.218 20 0 BEADMP Cc1ccc(CC[C@H](C)[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001171657111 974125095 /nfs/dbraw/zinc/12/50/95/974125095.db2.gz BBXAAZBFRPPKBL-ZFWWWQNUSA-N 2 1 232.371 2.349 20 0 BEADMP Cc1ccc(CC[C@H](C)[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001171657111 974125099 /nfs/dbraw/zinc/12/50/99/974125099.db2.gz BBXAAZBFRPPKBL-ZFWWWQNUSA-N 2 1 232.371 2.349 20 0 BEADMP CC(C)CCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206155407 974268650 /nfs/dbraw/zinc/26/86/50/974268650.db2.gz LIIHLFPMLZXWJZ-NWDGAFQWSA-N 2 1 216.344 2.184 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206155407 974268665 /nfs/dbraw/zinc/26/86/65/974268665.db2.gz LIIHLFPMLZXWJZ-NWDGAFQWSA-N 2 1 216.344 2.184 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccn1C1CC1 ZINC001330530251 974292713 /nfs/dbraw/zinc/29/27/13/974292713.db2.gz XMEOYNGBHWHWBL-UHFFFAOYSA-N 2 1 244.342 2.118 20 0 BEADMP [NH3+][C@H]1CC[N@H+](CC2CCCCC2)CC[C@H]1F ZINC001206153976 974315435 /nfs/dbraw/zinc/31/54/35/974315435.db2.gz FVGVMSGWZCJPJJ-OLZOCXBDSA-N 2 1 228.355 2.328 20 0 BEADMP [NH3+][C@H]1CC[N@@H+](CC2CCCCC2)CC[C@H]1F ZINC001206153976 974315453 /nfs/dbraw/zinc/31/54/53/974315453.db2.gz FVGVMSGWZCJPJJ-OLZOCXBDSA-N 2 1 228.355 2.328 20 0 BEADMP CCCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206154188 974316226 /nfs/dbraw/zinc/31/62/26/974316226.db2.gz HHCBBVOKEVCOHT-RYUDHWBXSA-N 2 1 216.344 2.328 20 0 BEADMP CCCCCC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206154188 974316232 /nfs/dbraw/zinc/31/62/32/974316232.db2.gz HHCBBVOKEVCOHT-RYUDHWBXSA-N 2 1 216.344 2.328 20 0 BEADMP [NH3+][C@H]1CC[N@H+](Cc2cccc(F)c2)CC[C@@H]1F ZINC001206154530 974329571 /nfs/dbraw/zinc/32/95/71/974329571.db2.gz JTDVOPRVAMWJAC-STQMWFEESA-N 2 1 240.297 2.087 20 0 BEADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc(F)c2)CC[C@@H]1F ZINC001206154530 974329581 /nfs/dbraw/zinc/32/95/81/974329581.db2.gz JTDVOPRVAMWJAC-STQMWFEESA-N 2 1 240.297 2.087 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccccn1)C2 ZINC001172100831 974345828 /nfs/dbraw/zinc/34/58/28/974345828.db2.gz SNASWPCWWSDXCL-QKDCVEJESA-N 2 1 245.370 2.187 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccccn1)C2 ZINC001172100831 974345838 /nfs/dbraw/zinc/34/58/38/974345838.db2.gz SNASWPCWWSDXCL-QKDCVEJESA-N 2 1 245.370 2.187 20 0 BEADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(F)cc2)CC[C@H]1F ZINC001206156637 974345886 /nfs/dbraw/zinc/34/58/86/974345886.db2.gz RMXDJZBKTSNFNI-OLZOCXBDSA-N 2 1 240.297 2.087 20 0 BEADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(F)cc2)CC[C@H]1F ZINC001206156637 974345890 /nfs/dbraw/zinc/34/58/90/974345890.db2.gz RMXDJZBKTSNFNI-OLZOCXBDSA-N 2 1 240.297 2.087 20 0 BEADMP C[N@H+](Cc1ccno1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131656 974357573 /nfs/dbraw/zinc/35/75/73/974357573.db2.gz XVFBMAZRFKTKQR-CLLJXQQHSA-N 2 1 249.358 2.122 20 0 BEADMP C[N@@H+](Cc1ccno1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131656 974357584 /nfs/dbraw/zinc/35/75/84/974357584.db2.gz XVFBMAZRFKTKQR-CLLJXQQHSA-N 2 1 249.358 2.122 20 0 BEADMP C[NH+](Cc1ccno1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172131656 974357593 /nfs/dbraw/zinc/35/75/93/974357593.db2.gz XVFBMAZRFKTKQR-CLLJXQQHSA-N 2 1 249.358 2.122 20 0 BEADMP C[NH+](Cc1ccno1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172131656 974357603 /nfs/dbraw/zinc/35/76/03/974357603.db2.gz XVFBMAZRFKTKQR-CLLJXQQHSA-N 2 1 249.358 2.122 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@@H](F)C1)C2 ZINC001172101731 974359874 /nfs/dbraw/zinc/35/98/74/974359874.db2.gz AHPCQHAJBPPUPE-YOTBANQPSA-N 2 1 226.339 2.092 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@@H](F)C1)C2 ZINC001172101731 974359886 /nfs/dbraw/zinc/35/98/86/974359886.db2.gz AHPCQHAJBPPUPE-YOTBANQPSA-N 2 1 226.339 2.092 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1ccco1)C2 ZINC001172103749 974368566 /nfs/dbraw/zinc/36/85/66/974368566.db2.gz XGRRFIUXNAWAET-ZSOGYDGISA-N 2 1 248.370 2.427 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCCC1)C2 ZINC001172109426 974373785 /nfs/dbraw/zinc/37/37/85/974373785.db2.gz DCDOFSFFAWXRSA-BTTYYORXSA-N 2 1 222.376 2.488 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCCC1)C2 ZINC001172109426 974373791 /nfs/dbraw/zinc/37/37/91/974373791.db2.gz DCDOFSFFAWXRSA-BTTYYORXSA-N 2 1 222.376 2.488 20 0 BEADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@@H]1F ZINC001172117374 974382699 /nfs/dbraw/zinc/38/26/99/974382699.db2.gz GMUVBRSUCUXINJ-RGDJUOJXSA-N 2 1 240.366 2.292 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC3(CCC3)C1)C2 ZINC001172121432 974391590 /nfs/dbraw/zinc/39/15/90/974391590.db2.gz QMYGBPWIAFJEHS-BTTYYORXSA-N 2 1 234.387 2.488 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H](F)C1)C2 ZINC001172120901 974391619 /nfs/dbraw/zinc/39/16/19/974391619.db2.gz GZWXUWAHQONBCM-MQYQWHSLSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](F)C1)C2 ZINC001172120901 974391628 /nfs/dbraw/zinc/39/16/28/974391628.db2.gz GZWXUWAHQONBCM-MQYQWHSLSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](F)C1)C2 ZINC001172120901 974391632 /nfs/dbraw/zinc/39/16/32/974391632.db2.gz GZWXUWAHQONBCM-MQYQWHSLSA-N 2 1 240.366 2.436 20 0 BEADMP CC(C)(C[NH3+])[NH2+][C@@H]1CSc2ccccc2C1 ZINC001172191322 974399604 /nfs/dbraw/zinc/39/96/04/974399604.db2.gz QRCULHCUILMSBI-NSHDSACASA-N 2 1 236.384 2.030 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)oc1C ZINC001206164074 974629502 /nfs/dbraw/zinc/62/95/02/974629502.db2.gz JEWVGTOMJNUZKN-OLZOCXBDSA-N 2 1 240.322 2.158 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)oc1C ZINC001206164074 974629507 /nfs/dbraw/zinc/62/95/07/974629507.db2.gz JEWVGTOMJNUZKN-OLZOCXBDSA-N 2 1 240.322 2.158 20 0 BEADMP CCOCC[C@H](C)[N@@H+](CC)CCn1ccnc1 ZINC001172426903 974704387 /nfs/dbraw/zinc/70/43/87/974704387.db2.gz JKIYZZOWGLUDTL-ZDUSSCGKSA-N 2 1 239.363 2.020 20 0 BEADMP CC[C@H](CC(C)C)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001172394490 974746678 /nfs/dbraw/zinc/74/66/78/974746678.db2.gz VKQXHTTWFXWJOA-VXGBXAGGSA-N 2 1 200.370 2.338 20 0 BEADMP CC[C@H](CC(C)C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001172394488 974747814 /nfs/dbraw/zinc/74/78/14/974747814.db2.gz VKQXHTTWFXWJOA-NWDGAFQWSA-N 2 1 200.370 2.338 20 0 BEADMP CC(C)OCC[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001172440656 974798311 /nfs/dbraw/zinc/79/83/11/974798311.db2.gz IHOPEHQWXLYPJK-ZIAGYGMSSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC001331707934 974799746 /nfs/dbraw/zinc/79/97/46/974799746.db2.gz XVOMXVDFVVOXKI-MBNYWOFBSA-N 2 1 218.344 2.417 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H](C)[C@H]1c1ccccc1 ZINC001331707933 974800155 /nfs/dbraw/zinc/80/01/55/974800155.db2.gz XVOMXVDFVVOXKI-DYEKYZERSA-N 2 1 218.344 2.417 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)[C@H](C)CCOC(C)C ZINC001172455563 974819337 /nfs/dbraw/zinc/81/93/37/974819337.db2.gz VPZAICIFSHCOEK-CQSZACIVSA-N 2 1 244.423 2.464 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)s1 ZINC001206165323 974831255 /nfs/dbraw/zinc/83/12/55/974831255.db2.gz NISARWPKDXUQBF-RYUDHWBXSA-N 2 1 242.363 2.318 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172546177 974878264 /nfs/dbraw/zinc/87/82/64/974878264.db2.gz KHYPTHNTQAKELJ-KFWWJZLASA-N 2 1 230.355 2.356 20 0 BEADMP [NH3+][C@@H]1CC[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172546177 974878269 /nfs/dbraw/zinc/87/82/69/974878269.db2.gz KHYPTHNTQAKELJ-KFWWJZLASA-N 2 1 230.355 2.356 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CC23CCC3)CC1 ZINC000721159602 974930079 /nfs/dbraw/zinc/93/00/79/974930079.db2.gz CVSMYIDIYPVLJN-NWDGAFQWSA-N 2 1 208.349 2.003 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccncc1 ZINC001204102612 974958394 /nfs/dbraw/zinc/95/83/94/974958394.db2.gz DKMHZJKRERUNGF-CYBMUJFWSA-N 2 1 235.375 2.292 20 0 BEADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)C1 ZINC001172923980 974971235 /nfs/dbraw/zinc/97/12/35/974971235.db2.gz OWKCIVFUIUJUFF-MELADBBJSA-N 2 1 240.391 2.018 20 0 BEADMP CC[NH+](CC)C1CCC([N@@H+](C)CC(C)=O)CC1 ZINC001173109411 975025017 /nfs/dbraw/zinc/02/50/17/975025017.db2.gz ILHLOFDDZLSHPO-UHFFFAOYSA-N 2 1 240.391 2.160 20 0 BEADMP Cc1[nH+]cn(-c2cc[nH+]c3ccccc32)c1N ZINC001174038679 976244288 /nfs/dbraw/zinc/24/42/88/976244288.db2.gz WSFJHHBBVDMKBA-UHFFFAOYSA-N 2 1 224.267 2.311 20 0 BEADMP CC[C@H](C)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC001175444507 977432576 /nfs/dbraw/zinc/43/25/76/977432576.db2.gz KTFCDPKJMPUJNT-XUXIUFHCSA-N 2 1 224.392 2.447 20 0 BEADMP CC[C@H](C)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC001175444507 977432593 /nfs/dbraw/zinc/43/25/93/977432593.db2.gz KTFCDPKJMPUJNT-XUXIUFHCSA-N 2 1 224.392 2.447 20 0 BEADMP CC[C@H](C)[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001175444507 977432604 /nfs/dbraw/zinc/43/26/04/977432604.db2.gz KTFCDPKJMPUJNT-XUXIUFHCSA-N 2 1 224.392 2.447 20 0 BEADMP CC1CC(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001336276472 977614926 /nfs/dbraw/zinc/61/49/26/977614926.db2.gz JLBYQBHDZHPPRI-UHFFFAOYSA-N 2 1 236.403 2.498 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNc2cc[nH+]cc2)C1 ZINC001336396532 977658851 /nfs/dbraw/zinc/65/88/51/977658851.db2.gz MGFZMQOLKOGGTC-OKILXGFUSA-N 2 1 247.386 2.283 20 0 BEADMP Cc1cc(F)cc(NC[C@@H](C)C[NH+](C)C)[nH+]1 ZINC001336635688 977823415 /nfs/dbraw/zinc/82/34/15/977823415.db2.gz DKIKINFRCNGUMR-SECBINFHSA-N 2 1 225.311 2.139 20 0 BEADMP Cc1cc[nH+]c(N2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c1 ZINC001277681711 978180423 /nfs/dbraw/zinc/18/04/23/978180423.db2.gz WDPSZLWRKVEADY-OKILXGFUSA-N 2 1 245.370 2.168 20 0 BEADMP Cc1cc[nH+]c(N2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c1 ZINC001277681711 978180428 /nfs/dbraw/zinc/18/04/28/978180428.db2.gz WDPSZLWRKVEADY-OKILXGFUSA-N 2 1 245.370 2.168 20 0 BEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccncc2)CC1 ZINC001206292887 978286501 /nfs/dbraw/zinc/28/65/01/978286501.db2.gz FKJFAMSPMJIIBW-AWEZNQCLSA-N 2 1 233.359 2.033 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)[nH]1 ZINC001206304807 978373023 /nfs/dbraw/zinc/37/30/23/978373023.db2.gz PUAUBGSVBKQAEQ-AWEZNQCLSA-N 2 1 235.375 2.274 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cn1 ZINC001206312033 978495070 /nfs/dbraw/zinc/49/50/70/978495070.db2.gz YEWJQJUOXJWSMR-OAHLLOKOSA-N 2 1 247.386 2.341 20 0 BEADMP CC[NH+](CC)C[C@@H](C)Oc1ccc2[nH+]ccn2c1 ZINC001233748630 978686562 /nfs/dbraw/zinc/68/65/62/978686562.db2.gz KRZIJENASYNGBI-GFCCVEGCSA-N 2 1 247.342 2.443 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@@H](NCc3ccccc3F)[C@H]2C1 ZINC001179815692 978757820 /nfs/dbraw/zinc/75/78/20/978757820.db2.gz IVBQBFJPCIZAGB-KCQAQPDRSA-N 2 1 248.345 2.256 20 0 BEADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccccc3F)[C@H]2C1 ZINC001179815692 978757824 /nfs/dbraw/zinc/75/78/24/978757824.db2.gz IVBQBFJPCIZAGB-KCQAQPDRSA-N 2 1 248.345 2.256 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccccc3F)[C@H]2C1 ZINC001179815692 978757828 /nfs/dbraw/zinc/75/78/28/978757828.db2.gz IVBQBFJPCIZAGB-KCQAQPDRSA-N 2 1 248.345 2.256 20 0 BEADMP CC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000070643338 978861609 /nfs/dbraw/zinc/86/16/09/978861609.db2.gz DBURVKNRIMMDND-RWMBFGLXSA-N 2 1 210.365 2.106 20 0 BEADMP CCCc1ccc(C[N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1 ZINC001235031797 978955680 /nfs/dbraw/zinc/95/56/80/978955680.db2.gz OPARXTVTSKZSHY-JKSUJKDBSA-N 2 1 244.382 2.433 20 0 BEADMP CCCc1ccc(C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1 ZINC001235031797 978955687 /nfs/dbraw/zinc/95/56/87/978955687.db2.gz OPARXTVTSKZSHY-JKSUJKDBSA-N 2 1 244.382 2.433 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001235144966 978978598 /nfs/dbraw/zinc/97/85/98/978978598.db2.gz AHCRIRIUADXJGE-XUXIUFHCSA-N 2 1 220.360 2.012 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001235144966 978978604 /nfs/dbraw/zinc/97/86/04/978978604.db2.gz AHCRIRIUADXJGE-XUXIUFHCSA-N 2 1 220.360 2.012 20 0 BEADMP CC(C)(CC[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1)c1ccccc1 ZINC001235147974 978981959 /nfs/dbraw/zinc/98/19/59/978981959.db2.gz VWPBLTUQUJCKIG-HOCLYGCPSA-N 2 1 244.382 2.387 20 0 BEADMP CC(C)(CC[N@H+]1C[C@@H]2C[C@]2([NH3+])C1)c1ccccc1 ZINC001235147974 978981963 /nfs/dbraw/zinc/98/19/63/978981963.db2.gz VWPBLTUQUJCKIG-HOCLYGCPSA-N 2 1 244.382 2.387 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235176297 978990349 /nfs/dbraw/zinc/99/03/49/978990349.db2.gz ZYZGNYNNUMFXQZ-MCIONIFRSA-N 2 1 222.376 2.251 20 0 BEADMP CC1=C[C@@H](C)[C@H](C[N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001235189206 978992519 /nfs/dbraw/zinc/99/25/19/978992519.db2.gz XSGUAPZLSMQTMR-CBBWQLFWSA-N 2 1 234.387 2.273 20 0 BEADMP CC1(C[N@@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)CCCCC1 ZINC001235187924 978992977 /nfs/dbraw/zinc/99/29/77/978992977.db2.gz HYECEJRELDXWOM-QWHCGFSZSA-N 2 1 222.376 2.251 20 0 BEADMP CC1(C[N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)CCCCC1 ZINC001235187924 978992984 /nfs/dbraw/zinc/99/29/84/978992984.db2.gz HYECEJRELDXWOM-QWHCGFSZSA-N 2 1 222.376 2.251 20 0 BEADMP CCCC[C@H](CC)C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235256726 979011638 /nfs/dbraw/zinc/01/16/38/979011638.db2.gz GKKHGQNUBMECQU-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP CCc1cccc(C)c1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235264053 979013752 /nfs/dbraw/zinc/01/37/52/979013752.db2.gz VVTXWDYRMHLAPU-ZBFHGGJFSA-N 2 1 244.382 2.351 20 0 BEADMP CCc1cccc(C)c1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235264053 979013759 /nfs/dbraw/zinc/01/37/59/979013759.db2.gz VVTXWDYRMHLAPU-ZBFHGGJFSA-N 2 1 244.382 2.351 20 0 BEADMP CC1=CC[C@H](CC[N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)C1(C)C ZINC001235282682 979016651 /nfs/dbraw/zinc/01/66/51/979016651.db2.gz GTSSRNQIZOKSQN-YIYPIFLZSA-N 2 1 234.387 2.258 20 0 BEADMP CC1=CC[C@H](CC[N@H+]2CC[C@H](N)C2)C1(C)C ZINC001235360904 979033884 /nfs/dbraw/zinc/03/38/84/979033884.db2.gz CTSAOVUOVATVCX-OLZOCXBDSA-N 2 1 222.376 2.402 20 0 BEADMP CC1=CC[C@H](CC[N@@H+]2CC[C@H]([NH3+])C2)C1(C)C ZINC001235360904 979033888 /nfs/dbraw/zinc/03/38/88/979033888.db2.gz CTSAOVUOVATVCX-OLZOCXBDSA-N 2 1 222.376 2.402 20 0 BEADMP CC1=CC[C@H](CC[N@H+]2CC[C@H]([NH3+])C2)C1(C)C ZINC001235360904 979033892 /nfs/dbraw/zinc/03/38/92/979033892.db2.gz CTSAOVUOVATVCX-OLZOCXBDSA-N 2 1 222.376 2.402 20 0 BEADMP C[NH2+]CCC[N@@H+](C)CCc1ccccc1Cl ZINC001235838911 979152683 /nfs/dbraw/zinc/15/26/83/979152683.db2.gz FGGFATCOQWMBOU-UHFFFAOYSA-N 2 1 240.778 2.424 20 0 BEADMP CCC(CC)[N@H+](C)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235959893 979223992 /nfs/dbraw/zinc/22/39/92/979223992.db2.gz MUJYTFYBFHWOJS-NSHDSACASA-N 2 1 228.380 2.221 20 0 BEADMP CCC(CC)[N@@H+](C)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235959893 979224004 /nfs/dbraw/zinc/22/40/04/979224004.db2.gz MUJYTFYBFHWOJS-NSHDSACASA-N 2 1 228.380 2.221 20 0 BEADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](CC1CCCCC1)C2 ZINC001235960074 979225663 /nfs/dbraw/zinc/22/56/63/979225663.db2.gz VMQQQGYNZPKCDU-BTTYYORXSA-N 2 1 222.376 2.236 20 0 BEADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](CCCC1CCCC1)C2 ZINC001235979957 979233965 /nfs/dbraw/zinc/23/39/65/979233965.db2.gz OWEGJMGHCIYZIY-UONOGXRCSA-N 2 1 222.376 2.380 20 0 BEADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](CCCC1CCCC1)C2 ZINC001235979958 979235743 /nfs/dbraw/zinc/23/57/43/979235743.db2.gz OWEGJMGHCIYZIY-ZIAGYGMSSA-N 2 1 222.376 2.380 20 0 BEADMP [NH3+][C@]12CC[C@H]1C[N@H+](CCCc1ccccc1)C2 ZINC001235977515 979241161 /nfs/dbraw/zinc/24/11/61/979241161.db2.gz HCBKIKWXSQQWNU-GJZGRUSLSA-N 2 1 230.355 2.042 20 0 BEADMP [NH3+][C@]12CC[C@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC001235977515 979241169 /nfs/dbraw/zinc/24/11/69/979241169.db2.gz HCBKIKWXSQQWNU-GJZGRUSLSA-N 2 1 230.355 2.042 20 0 BEADMP CC/C=C\CCC[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235981105 979256803 /nfs/dbraw/zinc/25/68/03/979256803.db2.gz UNFQIVCJVABOMV-RSNNXLNZSA-N 2 1 208.349 2.156 20 0 BEADMP [NH3+][C@]12CC[C@@H]1C[N@H+](CCCc1ccc(F)cc1)C2 ZINC001235981479 979258376 /nfs/dbraw/zinc/25/83/76/979258376.db2.gz VZKSCWOWWVWSTD-HIFRSBDPSA-N 2 1 248.345 2.181 20 0 BEADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](CCCc1ccc(F)cc1)C2 ZINC001235981479 979258382 /nfs/dbraw/zinc/25/83/82/979258382.db2.gz VZKSCWOWWVWSTD-HIFRSBDPSA-N 2 1 248.345 2.181 20 0 BEADMP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1cccc3c1CCC3)C2 ZINC001235996098 979290816 /nfs/dbraw/zinc/29/08/16/979290816.db2.gz QRGICFZBAUNQRV-ZBFHGGJFSA-N 2 1 242.366 2.098 20 0 BEADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1cccc3c1CCC3)C2 ZINC001235996098 979290825 /nfs/dbraw/zinc/29/08/25/979290825.db2.gz QRGICFZBAUNQRV-ZBFHGGJFSA-N 2 1 242.366 2.098 20 0 BEADMP CC(C)(CC[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1)c1ccccc1 ZINC001236018616 979309448 /nfs/dbraw/zinc/30/94/48/979309448.db2.gz VWPBLTUQUJCKIG-GDBMZVCRSA-N 2 1 244.382 2.387 20 0 BEADMP CC(C)(CC[N@H+]1C[C@H]2C[C@@]2([NH3+])C1)c1ccccc1 ZINC001236018616 979309457 /nfs/dbraw/zinc/30/94/57/979309457.db2.gz VWPBLTUQUJCKIG-GDBMZVCRSA-N 2 1 244.382 2.387 20 0 BEADMP Cc1ccc([C@H]2CCC[N@H+]2CCCC[NH3+])cn1 ZINC001236042556 979332862 /nfs/dbraw/zinc/33/28/62/979332862.db2.gz QGCXRBJNIQKHJW-CQSZACIVSA-N 2 1 233.359 2.266 20 0 BEADMP CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001236165938 979420178 /nfs/dbraw/zinc/42/01/78/979420178.db2.gz BRKYEWJMJASKIH-STQMWFEESA-N 2 1 210.365 2.402 20 0 BEADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@H]([NH3+])C1 ZINC001236165938 979420191 /nfs/dbraw/zinc/42/01/91/979420191.db2.gz BRKYEWJMJASKIH-STQMWFEESA-N 2 1 210.365 2.402 20 0 BEADMP CC1(C)[NH2+]C[C@@H](C[NH+]2C3CCCC2CCC3)O1 ZINC001236232326 979458214 /nfs/dbraw/zinc/45/82/14/979458214.db2.gz UJPCNSROGNKRLC-BPCQOVAHSA-N 2 1 238.375 2.118 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC001236246548 979468227 /nfs/dbraw/zinc/46/82/27/979468227.db2.gz GTZPUIZLOVSELW-CYBMUJFWSA-N 2 1 229.327 2.091 20 0 BEADMP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc2cc[nH]c21 ZINC001236246548 979468230 /nfs/dbraw/zinc/46/82/30/979468230.db2.gz GTZPUIZLOVSELW-CYBMUJFWSA-N 2 1 229.327 2.091 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2C[C@@H]3CCC[C@@H]32)C1 ZINC001182250411 979482276 /nfs/dbraw/zinc/48/22/76/979482276.db2.gz JKLBVZIULVVZSE-QPSCCSFWSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)o1 ZINC001236314995 979524209 /nfs/dbraw/zinc/52/42/09/979524209.db2.gz UNYHQVNVEBPCTB-BETUJISGSA-N 2 1 234.343 2.019 20 0 BEADMP CC(C)CCC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314233 979524312 /nfs/dbraw/zinc/52/43/12/979524312.db2.gz MAVFJPOSVRVTNW-OKILXGFUSA-N 2 1 224.392 2.354 20 0 BEADMP C1=CC[C@@H](C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC1 ZINC001236314036 979525635 /nfs/dbraw/zinc/52/56/35/979525635.db2.gz GXZGXLGSQQEOMR-KFWWJZLASA-N 2 1 234.387 2.274 20 0 BEADMP CC[C@H]([NH3+])C[NH+]1CCC(c2ccc(N)cc2)CC1 ZINC001236335119 979538001 /nfs/dbraw/zinc/53/80/01/979538001.db2.gz GJUQLLLCDKRABZ-AWEZNQCLSA-N 2 1 247.386 2.186 20 0 BEADMP C[N@@H+](CCCC1CCCC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236410147 979585821 /nfs/dbraw/zinc/58/58/21/979585821.db2.gz DTULPKHYFQDOBW-WDNDVIMCSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@@H]([NH3+])C[NH+]1CCC(C)(c2ccccc2)CC1 ZINC001236434903 979599281 /nfs/dbraw/zinc/59/92/81/979599281.db2.gz ZALVLCNGZISZBD-CYBMUJFWSA-N 2 1 232.371 2.387 20 0 BEADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccncc2)C1 ZINC001206541720 979642251 /nfs/dbraw/zinc/64/22/51/979642251.db2.gz IIECEIHZUOUXKH-AWEZNQCLSA-N 2 1 233.359 2.033 20 0 BEADMP Cc1ncccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206548967 979677794 /nfs/dbraw/zinc/67/77/94/979677794.db2.gz LERHUQOSYBPJSN-OAHLLOKOSA-N 2 1 247.386 2.341 20 0 BEADMP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc2cnccc21 ZINC001236868568 979770675 /nfs/dbraw/zinc/77/06/75/979770675.db2.gz NJFWYEARRPCQKN-AWEZNQCLSA-N 2 1 243.354 2.404 20 0 BEADMP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc2cnccc21 ZINC001236868568 979770682 /nfs/dbraw/zinc/77/06/82/979770682.db2.gz NJFWYEARRPCQKN-AWEZNQCLSA-N 2 1 243.354 2.404 20 0 BEADMP C[C@H](CCCC(C)(C)O)CC[N@H+](C)C[C@H](C)[NH3+] ZINC001236884871 979784271 /nfs/dbraw/zinc/78/42/71/979784271.db2.gz UIXXVZVFBHBLRZ-OLZOCXBDSA-N 2 1 244.423 2.233 20 0 BEADMP Cc1ccc2c(C[N@@H+](C)C[C@H](C)[NH3+])cccc2n1 ZINC001236907564 979793470 /nfs/dbraw/zinc/79/34/70/979793470.db2.gz BFXFOEATKRDLHZ-NSHDSACASA-N 2 1 243.354 2.322 20 0 BEADMP Cc1ccc2c(C[N@H+](C)C[C@H](C)[NH3+])cccc2n1 ZINC001236907564 979793480 /nfs/dbraw/zinc/79/34/80/979793480.db2.gz BFXFOEATKRDLHZ-NSHDSACASA-N 2 1 243.354 2.322 20 0 BEADMP C1=CC[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001237377136 979877465 /nfs/dbraw/zinc/87/74/65/979877465.db2.gz YUFOJZMGAHKLAG-KKUMJFAQSA-N 2 1 234.387 2.417 20 0 BEADMP C1=CC[C@H](C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001237377136 979877469 /nfs/dbraw/zinc/87/74/69/979877469.db2.gz YUFOJZMGAHKLAG-KKUMJFAQSA-N 2 1 234.387 2.417 20 0 BEADMP CC/C=C\CC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237383830 979883093 /nfs/dbraw/zinc/88/30/93/979883093.db2.gz RXDIWUPAWYNBBQ-TYHIMRJMSA-N 2 1 222.376 2.417 20 0 BEADMP CC/C=C\CC[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237383830 979883097 /nfs/dbraw/zinc/88/30/97/979883097.db2.gz RXDIWUPAWYNBBQ-TYHIMRJMSA-N 2 1 222.376 2.417 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(C)n1 ZINC001205281646 979889804 /nfs/dbraw/zinc/88/98/04/979889804.db2.gz WWCGDUXZTLZYFR-OAHLLOKOSA-N 2 1 247.386 2.402 20 0 BEADMP CCC[N@H+](C)Cc1cccc2c[nH+]cn21 ZINC001238103630 980150224 /nfs/dbraw/zinc/15/02/24/980150224.db2.gz NPMTZXDQLUOPJK-UHFFFAOYSA-N 2 1 203.289 2.176 20 0 BEADMP CCC[N@@H+](C)Cc1cccc2c[nH+]cn21 ZINC001238103630 980150226 /nfs/dbraw/zinc/15/02/26/980150226.db2.gz NPMTZXDQLUOPJK-UHFFFAOYSA-N 2 1 203.289 2.176 20 0 BEADMP c1ncn2c1cccc2C[N@H+]1CCCC12CC2 ZINC001238104805 980157727 /nfs/dbraw/zinc/15/77/27/980157727.db2.gz ZYWWWBQTZCVDJZ-UHFFFAOYSA-N 2 1 227.311 2.463 20 0 BEADMP c1[nH+]cn2c1cccc2C[N@@H+]1CCCC12CC2 ZINC001238104805 980157739 /nfs/dbraw/zinc/15/77/39/980157739.db2.gz ZYWWWBQTZCVDJZ-UHFFFAOYSA-N 2 1 227.311 2.463 20 0 BEADMP c1[nH+]cn2c1cccc2C[N@H+]1CCCC12CC2 ZINC001238104805 980157745 /nfs/dbraw/zinc/15/77/45/980157745.db2.gz ZYWWWBQTZCVDJZ-UHFFFAOYSA-N 2 1 227.311 2.463 20 0 BEADMP C([C@@H]1CC2CCC1CC2)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000691659592 980378323 /nfs/dbraw/zinc/37/83/23/980378323.db2.gz GYRRWGCKKZFABC-SSHXOBKSSA-N 2 1 248.414 2.498 20 0 BEADMP C([C@H]1CC2CCC1CC2)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000691659524 980379302 /nfs/dbraw/zinc/37/93/02/980379302.db2.gz GYRRWGCKKZFABC-FJBKBRRZSA-N 2 1 248.414 2.498 20 0 BEADMP C([C@@H]1CC2CCC1CC2)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000691658358 980382295 /nfs/dbraw/zinc/38/22/95/980382295.db2.gz BZTYKHRDJBCZQD-MTERUZRBSA-N 2 1 248.414 2.497 20 0 BEADMP C([C@@H]1CC2CCC1CC2)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000691658358 980382298 /nfs/dbraw/zinc/38/22/98/980382298.db2.gz BZTYKHRDJBCZQD-MTERUZRBSA-N 2 1 248.414 2.497 20 0 BEADMP CCc1cccnc1[C@H](C)[NH2+]CC[C@@H](C)[NH2+]C ZINC001345481617 980618988 /nfs/dbraw/zinc/61/89/88/980618988.db2.gz FCNFQYSOVOKKPJ-NEPJUHHUSA-N 2 1 235.375 2.293 20 0 BEADMP C[C@H]1CC[N@@H+](CCC2CC2)CC[C@H]1C[NH3+] ZINC001205600445 981155996 /nfs/dbraw/zinc/15/59/96/981155996.db2.gz BSVWGBBXAWSABE-AAEUAGOBSA-N 2 1 210.365 2.093 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)n1 ZINC001205602649 981164454 /nfs/dbraw/zinc/16/44/54/981164454.db2.gz KXUPRQMEQNUAEM-JSGCOSHPSA-N 2 1 247.386 2.197 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)n1 ZINC001205602648 981166030 /nfs/dbraw/zinc/16/60/30/981166030.db2.gz KXUPRQMEQNUAEM-GXTWGEPZSA-N 2 1 247.386 2.197 20 0 BEADMP C[C@H](CNc1cc[nH+]cc1)[N@H+]1CCC[C@H](C)C1 ZINC001347773129 981168444 /nfs/dbraw/zinc/16/84/44/981168444.db2.gz UBXIWHSLLFJHHY-QWHCGFSZSA-N 2 1 233.359 2.036 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+]Cc1sccc1Cl ZINC001348514734 981379655 /nfs/dbraw/zinc/37/96/55/981379655.db2.gz GOLPJENOJKSGGJ-QMMMGPOBSA-N 2 1 232.780 2.489 20 0 BEADMP Cc1cc2[nH]ccc2c(C2=CC[NH2+]CC2)[nH+]1 ZINC001240464955 981395601 /nfs/dbraw/zinc/39/56/01/981395601.db2.gz FCDVKPISNLEIDU-UHFFFAOYSA-N 2 1 213.284 2.248 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCCC(F)F)[C@@H]2CCC[C@@H]21 ZINC001350635594 982035614 /nfs/dbraw/zinc/03/56/14/982035614.db2.gz DWOVKILKRADBJP-SRVKXCTJSA-N 2 1 246.345 2.494 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCCC(F)F)[C@@H]2CCC[C@H]21 ZINC001350635592 982037642 /nfs/dbraw/zinc/03/76/42/982037642.db2.gz DWOVKILKRADBJP-SDDRHHMPSA-N 2 1 246.345 2.494 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cs1 ZINC001350910563 982117201 /nfs/dbraw/zinc/11/72/01/982117201.db2.gz QKGUXDIZVFRXJM-ZWNOBZJWSA-N 2 1 238.400 2.473 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000691700865 982225257 /nfs/dbraw/zinc/22/52/57/982225257.db2.gz KXVHQTBGQPHYSR-JYVUQVBGSA-N 2 1 236.403 2.483 20 0 BEADMP Nc1cc(-c2ccc([C@@H]3CC[NH2+]C3)cc2)cc[nH+]1 ZINC001241170408 982318461 /nfs/dbraw/zinc/31/84/61/982318461.db2.gz MJQGCTGGSSWJLX-CQSZACIVSA-N 2 1 239.322 2.408 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001352110510 982475377 /nfs/dbraw/zinc/47/53/77/982475377.db2.gz COIRXVSKMMVWBF-QKGCVVFFSA-N 2 1 236.403 2.305 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001352110499 982476067 /nfs/dbraw/zinc/47/60/67/982476067.db2.gz COIRXVSKMMVWBF-KHMAMNHCSA-N 2 1 236.403 2.305 20 0 BEADMP C[N@H+]1CC=C(c2cccn3c[nH+]cc23)CC1 ZINC001241330645 982491805 /nfs/dbraw/zinc/49/18/05/982491805.db2.gz WRRQLYUHNTYAKO-UHFFFAOYSA-N 2 1 213.284 2.053 20 0 BEADMP C[N@@H+]1CC=C(c2cccn3c[nH+]cc23)CC1 ZINC001241330645 982491808 /nfs/dbraw/zinc/49/18/08/982491808.db2.gz WRRQLYUHNTYAKO-UHFFFAOYSA-N 2 1 213.284 2.053 20 0 BEADMP CC[C@H](C)[C@H](C)[N@H+]1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC001198271597 982690723 /nfs/dbraw/zinc/69/07/23/982690723.db2.gz WYVCKAZKYCUFNZ-FQUUOJAGSA-N 2 1 224.392 2.305 20 0 BEADMP CC[C@H](C)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001198271597 982690733 /nfs/dbraw/zinc/69/07/33/982690733.db2.gz WYVCKAZKYCUFNZ-FQUUOJAGSA-N 2 1 224.392 2.305 20 0 BEADMP CC[C@H](C)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001198271597 982690742 /nfs/dbraw/zinc/69/07/42/982690742.db2.gz WYVCKAZKYCUFNZ-FQUUOJAGSA-N 2 1 224.392 2.305 20 0 BEADMP CC[C@H](C)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001198271597 982690759 /nfs/dbraw/zinc/69/07/59/982690759.db2.gz WYVCKAZKYCUFNZ-FQUUOJAGSA-N 2 1 224.392 2.305 20 0 BEADMP CC[C@H](C)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001198271597 982690783 /nfs/dbraw/zinc/69/07/83/982690783.db2.gz WYVCKAZKYCUFNZ-FQUUOJAGSA-N 2 1 224.392 2.305 20 0 BEADMP CC[C@@H](C)[C@@H](C)[N@H+]1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC001198271599 982692859 /nfs/dbraw/zinc/69/28/59/982692859.db2.gz WYVCKAZKYCUFNZ-SYQHCUMBSA-N 2 1 224.392 2.305 20 0 BEADMP CC[C@@H](C)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001198271599 982692872 /nfs/dbraw/zinc/69/28/72/982692872.db2.gz WYVCKAZKYCUFNZ-SYQHCUMBSA-N 2 1 224.392 2.305 20 0 BEADMP CC[C@@H](C)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001198271599 982692883 /nfs/dbraw/zinc/69/28/83/982692883.db2.gz WYVCKAZKYCUFNZ-SYQHCUMBSA-N 2 1 224.392 2.305 20 0 BEADMP CC[C@@H](C)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001198271599 982692888 /nfs/dbraw/zinc/69/28/88/982692888.db2.gz WYVCKAZKYCUFNZ-SYQHCUMBSA-N 2 1 224.392 2.305 20 0 BEADMP CC[C@@H](C)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001198271599 982692897 /nfs/dbraw/zinc/69/28/97/982692897.db2.gz WYVCKAZKYCUFNZ-SYQHCUMBSA-N 2 1 224.392 2.305 20 0 BEADMP C[NH+](C)Cc1cccc(C2=CCC[N@@H+](C)C2)c1 ZINC001241570206 982820036 /nfs/dbraw/zinc/82/00/36/982820036.db2.gz XBGNGUCJPHYWKO-UHFFFAOYSA-N 2 1 230.355 2.467 20 0 BEADMP C[N@H+]1CCCC(C)(C)[C@H]1CNc1cc[nH+]cc1 ZINC001354019909 983118552 /nfs/dbraw/zinc/11/85/52/983118552.db2.gz XTOBXIRDLMNPDX-CYBMUJFWSA-N 2 1 233.359 2.036 20 0 BEADMP CS[C@H]1CCC[C@H]([NH2+]CCC[NH+]2CCC2)C1 ZINC001354171430 983182843 /nfs/dbraw/zinc/18/28/43/983182843.db2.gz QSEPLSNSTJCZRN-STQMWFEESA-N 2 1 242.432 2.346 20 0 BEADMP CC[N@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001201581484 983342718 /nfs/dbraw/zinc/34/27/18/983342718.db2.gz YHTSPYRTRZXIJM-BETUJISGSA-N 2 1 234.343 2.053 20 0 BEADMP CC[N@@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001201581484 983342722 /nfs/dbraw/zinc/34/27/22/983342722.db2.gz YHTSPYRTRZXIJM-BETUJISGSA-N 2 1 234.343 2.053 20 0 BEADMP CC[NH+]1C[C@H]2C[C@@H](C1)C[N@@H+](Cc1ccco1)C2 ZINC001201581484 983342728 /nfs/dbraw/zinc/34/27/28/983342728.db2.gz YHTSPYRTRZXIJM-BETUJISGSA-N 2 1 234.343 2.053 20 0 BEADMP CC[NH+]1C[C@H]2C[C@@H](C1)C[N@H+](Cc1ccco1)C2 ZINC001201581484 983342732 /nfs/dbraw/zinc/34/27/32/983342732.db2.gz YHTSPYRTRZXIJM-BETUJISGSA-N 2 1 234.343 2.053 20 0 BEADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](CCc1ccccc1)C2 ZINC001201606313 983371041 /nfs/dbraw/zinc/37/10/41/983371041.db2.gz XHDLZWCQRNQITJ-HZPDHXFCSA-N 2 1 244.382 2.113 20 0 BEADMP CN1CCC[C@@H]2C[N@@H+](CCc3ccccc3)C[C@H]21 ZINC001201606094 983372832 /nfs/dbraw/zinc/37/28/32/983372832.db2.gz IJZYYHDXBSEGEN-HZPDHXFCSA-N 2 1 244.382 2.255 20 0 BEADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](CC1CCCC1)C2 ZINC001202177907 983583620 /nfs/dbraw/zinc/58/36/20/983583620.db2.gz FUGCATJSVZVCRP-ZIAGYGMSSA-N 2 1 222.376 2.060 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)cc1 ZINC001474302672 983903977 /nfs/dbraw/zinc/90/39/77/983903977.db2.gz CKULLGIGSYMHSY-BZUAXINKSA-N 2 1 244.382 2.425 20 0 BEADMP C[C@@H]([NH2+]C/C=C\c1cccc(F)c1)[C@H](C)[NH3+] ZINC001576105050 984150981 /nfs/dbraw/zinc/15/09/81/984150981.db2.gz NABOXLZEIKFCAG-LQKZOZGNSA-N 2 1 222.307 2.164 20 0 BEADMP CCC[C@@H](CC)[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001257270833 984867338 /nfs/dbraw/zinc/86/73/38/984867338.db2.gz QMVXRXRHSLNCSP-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@@H](CC)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001257270833 984867340 /nfs/dbraw/zinc/86/73/40/984867340.db2.gz QMVXRXRHSLNCSP-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@@H](CC)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001257270833 984867343 /nfs/dbraw/zinc/86/73/43/984867343.db2.gz QMVXRXRHSLNCSP-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H](COC)CC(C)(C)C ZINC001578241702 984895127 /nfs/dbraw/zinc/89/51/27/984895127.db2.gz IRPOANCRJWWYTJ-XQQFMLRXSA-N 2 1 242.407 2.168 20 0 BEADMP CCc1cccc(C[NH2+]C[C@@H]([NH3+])CC)c1 ZINC001578266662 984913253 /nfs/dbraw/zinc/91/32/53/984913253.db2.gz OBAOBCWKXXFWMP-ZDUSSCGKSA-N 2 1 206.333 2.076 20 0 BEADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001257462242 985070548 /nfs/dbraw/zinc/07/05/48/985070548.db2.gz ALXDGPWGNHTAJS-MELADBBJSA-N 2 1 242.407 2.251 20 0 BEADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001257462242 985070536 /nfs/dbraw/zinc/07/05/36/985070536.db2.gz ALXDGPWGNHTAJS-MELADBBJSA-N 2 1 242.407 2.251 20 0 BEADMP CC1CC(C[N@@H+](C)C2CCC([NH3+])CC2)C1 ZINC000691966729 985079790 /nfs/dbraw/zinc/07/97/90/985079790.db2.gz GQZMNQSABUERRM-UHFFFAOYSA-N 2 1 210.365 2.234 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC001578638304 985247809 /nfs/dbraw/zinc/24/78/09/985247809.db2.gz KAMSNRNWQRNWTD-FIQHERPVSA-N 2 1 238.400 2.438 20 0 BEADMP CO[C@H]1CC[C@H](C)[N@@H+](CCCCCC[NH3+])C1 ZINC000687191890 985257022 /nfs/dbraw/zinc/25/70/22/985257022.db2.gz BNLQZWUXBYQGGL-STQMWFEESA-N 2 1 228.380 2.005 20 0 BEADMP C[NH2+]CCC[N@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001578687236 985300297 /nfs/dbraw/zinc/30/02/97/985300297.db2.gz RXXPNFZSPCABPS-KBPBESRZSA-N 2 1 222.376 2.106 20 0 BEADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CCC1 ZINC000688039601 985508813 /nfs/dbraw/zinc/50/88/13/985508813.db2.gz VDKLVRLNNFEWAA-UHFFFAOYSA-N 2 1 236.384 2.378 20 0 BEADMP COC1(C[N@H+](C)[C@H](C)C[NH3+])CCCCCC1 ZINC001578926739 985524517 /nfs/dbraw/zinc/52/45/17/985524517.db2.gz MSXWKBBTUUGXIA-GFCCVEGCSA-N 2 1 228.380 2.005 20 0 BEADMP COC1(C[N@@H+](C)[C@H](C)C[NH3+])CCCCCC1 ZINC001578926739 985524536 /nfs/dbraw/zinc/52/45/36/985524536.db2.gz MSXWKBBTUUGXIA-GFCCVEGCSA-N 2 1 228.380 2.005 20 0 BEADMP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000688242616 985585896 /nfs/dbraw/zinc/58/58/96/985585896.db2.gz VHGDVTZWLSGJEG-QWRGUYRKSA-N 2 1 232.318 2.233 20 0 BEADMP CSCC[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001258199965 985605384 /nfs/dbraw/zinc/60/53/84/985605384.db2.gz LXXROOYSMKWHQP-STQMWFEESA-N 2 1 244.448 2.450 20 0 BEADMP C[N@H+](Cc1ccc(C2=C[NH2+]CCC2)nc1)C1CC1 ZINC001243948584 985629168 /nfs/dbraw/zinc/62/91/68/985629168.db2.gz IRUXPVRHVPEZEE-UHFFFAOYSA-N 2 1 243.354 2.400 20 0 BEADMP C[N@@H+](Cc1ccc(C2=C[NH2+]CCC2)nc1)C1CC1 ZINC001243948584 985629172 /nfs/dbraw/zinc/62/91/72/985629172.db2.gz IRUXPVRHVPEZEE-UHFFFAOYSA-N 2 1 243.354 2.400 20 0 BEADMP CSC(C)(C)C[C@H](C)n1c[nH+]cc1CC[NH3+] ZINC001258320224 985803102 /nfs/dbraw/zinc/80/31/02/985803102.db2.gz OHRWUGMIZGHDLR-JTQLQIEISA-N 2 1 241.404 2.477 20 0 BEADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CC[NH2+]2)cc1 ZINC001579192718 985821391 /nfs/dbraw/zinc/82/13/91/985821391.db2.gz HLRVHCRVJHMDNG-DYEKYZERSA-N 2 1 248.370 2.139 20 0 BEADMP COc1ccc2c(c1)CC[N@H+](CC(C)(C)C[NH3+])C2 ZINC001579243816 985825958 /nfs/dbraw/zinc/82/59/58/985825958.db2.gz QSQRWCIUQKMBGY-UHFFFAOYSA-N 2 1 248.370 2.038 20 0 BEADMP CSCC[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC001579373858 985863923 /nfs/dbraw/zinc/86/39/23/985863923.db2.gz DXAOORSRRGQAJL-GFCCVEGCSA-N 2 1 242.432 2.333 20 0 BEADMP CSc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC001579388068 985870571 /nfs/dbraw/zinc/87/05/71/985870571.db2.gz NLIRXHUHNDWADL-NXEZZACHSA-N 2 1 240.372 2.171 20 0 BEADMP CSc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC001579388068 985870575 /nfs/dbraw/zinc/87/05/75/985870575.db2.gz NLIRXHUHNDWADL-NXEZZACHSA-N 2 1 240.372 2.171 20 0 BEADMP [NH3+]C[C@@H]1CCCC[N@@H+](CCCc2ccncc2)C1 ZINC001206606111 985893695 /nfs/dbraw/zinc/89/36/95/985893695.db2.gz DNSRKESDTJYVOD-HNNXBMFYSA-N 2 1 247.386 2.075 20 0 BEADMP C[C@@H](CC1CC1)n1cc[nH+]c1CCC[NH3+] ZINC001258457991 985901350 /nfs/dbraw/zinc/90/13/50/985901350.db2.gz NNCPVYDZHXPFPR-JTQLQIEISA-N 2 1 207.321 2.136 20 0 BEADMP CCCC[C@@H](CCC)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001258752887 986115600 /nfs/dbraw/zinc/11/56/00/986115600.db2.gz NAQIJATZUGLOLU-OLZOCXBDSA-N 2 1 228.380 2.005 20 0 BEADMP CC[N@H+](CCC(F)(F)F)C[C@@H]1C[NH2+]C[C@H]1C ZINC000689196072 986379464 /nfs/dbraw/zinc/37/94/64/986379464.db2.gz XTLLYEDJNCCWSP-ZJUUUORDSA-N 2 1 238.297 2.116 20 0 BEADMP CC[N@@H+](CCC(F)(F)F)C[C@@H]1C[NH2+]C[C@H]1C ZINC000689196072 986379474 /nfs/dbraw/zinc/37/94/74/986379474.db2.gz XTLLYEDJNCCWSP-ZJUUUORDSA-N 2 1 238.297 2.116 20 0 BEADMP [NH3+][C@H](C[NH2+]C[C@H]1CC=CCC1)CC(F)(F)F ZINC001580131370 986593127 /nfs/dbraw/zinc/59/31/27/986593127.db2.gz CNODZIQBEYMLQG-UWVGGRQHSA-N 2 1 236.281 2.212 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2CC[C@@](C)(CF)C2)CC1 ZINC001254515985 986650713 /nfs/dbraw/zinc/65/07/13/986650713.db2.gz ICGJJGDNLROAPS-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@@](C)(CF)C2)CC1 ZINC001254515985 986650721 /nfs/dbraw/zinc/65/07/21/986650721.db2.gz ICGJJGDNLROAPS-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@@H]([N@H+]2CC[C@@](C)(CF)C2)CC1 ZINC001254515985 986650735 /nfs/dbraw/zinc/65/07/35/986650735.db2.gz ICGJJGDNLROAPS-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP CO[C@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254514862 986652132 /nfs/dbraw/zinc/65/21/32/986652132.db2.gz OWKCIVFUIUJUFF-MCIONIFRSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1ccc[nH+]c1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000382410181 986747679 /nfs/dbraw/zinc/74/76/79/986747679.db2.gz DHCPKZUYEJBQHW-GHMZBOCLSA-N 2 1 205.305 2.072 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]2c2ccc[nH]2)C1 ZINC001580386969 986810917 /nfs/dbraw/zinc/81/09/17/986810917.db2.gz AVMUYZJVRYXYCO-SCRDCRAPSA-N 2 1 233.359 2.279 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2c2ccc[nH]2)C1 ZINC001580386968 986812572 /nfs/dbraw/zinc/81/25/72/986812572.db2.gz AVMUYZJVRYXYCO-OUCADQQQSA-N 2 1 233.359 2.279 20 0 BEADMP CCCCC[C@H](O)C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246020320 987305079 /nfs/dbraw/zinc/30/50/79/987305079.db2.gz KQOVEPXQNLBHEW-KBPBESRZSA-N 2 1 242.407 2.131 20 0 BEADMP c1[nH+]c2c(n1C[C@H]1CCCC[NH2+]C1)CCCC2 ZINC000697016008 987342798 /nfs/dbraw/zinc/34/27/98/987342798.db2.gz WOBFDAZXPFCTJI-LBPRGKRZSA-N 2 1 233.359 2.152 20 0 BEADMP CCCCC[C@H](O)C[N@H+](CC)[C@H]1CCC[NH2+]C1 ZINC001246048244 987344290 /nfs/dbraw/zinc/34/42/90/987344290.db2.gz WBFQGFQQGJRHTG-KBPBESRZSA-N 2 1 242.407 2.002 20 0 BEADMP CCCCC[C@H](O)C[N@@H+](CC)[C@H]1CCC[NH2+]C1 ZINC001246048244 987344301 /nfs/dbraw/zinc/34/43/01/987344301.db2.gz WBFQGFQQGJRHTG-KBPBESRZSA-N 2 1 242.407 2.002 20 0 BEADMP CCCCC[C@@H](O)C[N@H+](CC)[C@@H]1CCC[NH2+]C1 ZINC001246048250 987344918 /nfs/dbraw/zinc/34/49/18/987344918.db2.gz WBFQGFQQGJRHTG-ZIAGYGMSSA-N 2 1 242.407 2.002 20 0 BEADMP CCCCC[C@@H](O)C[N@@H+](CC)[C@@H]1CCC[NH2+]C1 ZINC001246048250 987344924 /nfs/dbraw/zinc/34/49/24/987344924.db2.gz WBFQGFQQGJRHTG-ZIAGYGMSSA-N 2 1 242.407 2.002 20 0 BEADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000697052293 987347512 /nfs/dbraw/zinc/34/75/12/987347512.db2.gz MXPFKWSSNLXYEM-MELADBBJSA-N 2 1 222.376 2.108 20 0 BEADMP CCC[C@@H](C)CC[C@H](C)[NH2+]CC[NH2+]C ZINC001246072965 987361094 /nfs/dbraw/zinc/36/10/94/987361094.db2.gz OBCYAWNDJDVOSA-NEPJUHHUSA-N 2 1 200.370 2.400 20 0 BEADMP C[C@H]1CC(F)(F)CC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000697640485 987361922 /nfs/dbraw/zinc/36/19/22/987361922.db2.gz GPYSLCKTCIYFSV-RYUDHWBXSA-N 2 1 246.345 2.496 20 0 BEADMP CC(C)COCC[C@@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246086214 987385445 /nfs/dbraw/zinc/38/54/45/987385445.db2.gz SJKPCLUOPWLMSI-MJBXVCDLSA-N 2 1 242.407 2.168 20 0 BEADMP CC[C@H](C)OCC[C@@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246085403 987386260 /nfs/dbraw/zinc/38/62/60/987386260.db2.gz QRJCGIXRUSTJHX-CRWXNKLISA-N 2 1 242.407 2.310 20 0 BEADMP CC[C@H]1CC[C@@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC001246096941 987407610 /nfs/dbraw/zinc/40/76/10/987407610.db2.gz MGYDQZSXIYEYTJ-XQHKEYJVSA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)CC[C@@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC001246097712 987415045 /nfs/dbraw/zinc/41/50/45/987415045.db2.gz NYUJBOPHJMTHRI-UPJWGTAASA-N 2 1 212.381 2.399 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C[C@@H]1C ZINC001246117109 987460563 /nfs/dbraw/zinc/46/05/63/987460563.db2.gz IODWOOKTZVVCNE-RKQHYHRCSA-N 2 1 224.392 2.399 20 0 BEADMP Cc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC001246121566 987467797 /nfs/dbraw/zinc/46/77/97/987467797.db2.gz BPVUJSCBXVVYDF-HOTGVXAUSA-N 2 1 244.382 2.194 20 0 BEADMP CCCCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246128099 987475895 /nfs/dbraw/zinc/47/58/95/987475895.db2.gz DQVPHPJEXAMCEF-VXGBXAGGSA-N 2 1 210.365 2.297 20 0 BEADMP CC(C)CC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246127899 987479284 /nfs/dbraw/zinc/47/92/84/987479284.db2.gz CMIUNLFFJBWNMI-VXGBXAGGSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@]23C[C@H]2C[NH2+]C3)CC(C)(C)C1 ZINC001246135899 987491398 /nfs/dbraw/zinc/49/13/98/987491398.db2.gz SLTSADSSOCUXGH-UHXUPSOCSA-N 2 1 222.376 2.153 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C[C@]2(F)CCC[NH2+]C2)C[C@@H](C)C1 ZINC001246170209 987530199 /nfs/dbraw/zinc/53/01/99/987530199.db2.gz FCODBAIPUQLPES-DGAVXFQQSA-N 2 1 242.382 2.492 20 0 BEADMP C[C@@H](c1cccnc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001473702073 987530614 /nfs/dbraw/zinc/53/06/14/987530614.db2.gz BOAKPLVMAMDKDZ-CFVMTHIKSA-N 2 1 245.370 2.026 20 0 BEADMP C[C@@H](c1cccnc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001473702073 987530627 /nfs/dbraw/zinc/53/06/27/987530627.db2.gz BOAKPLVMAMDKDZ-CFVMTHIKSA-N 2 1 245.370 2.026 20 0 BEADMP C[C@@H](c1cccnc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001473702073 987530636 /nfs/dbraw/zinc/53/06/36/987530636.db2.gz BOAKPLVMAMDKDZ-CFVMTHIKSA-N 2 1 245.370 2.026 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C2(c3ccccc3)CC2)CC[NH2+]1 ZINC001246178523 987546861 /nfs/dbraw/zinc/54/68/61/987546861.db2.gz YWLOFUDFVYGYBR-GXTWGEPZSA-N 2 1 230.355 2.406 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCC2CCCCC2)C[NH2+]1 ZINC001246177771 987550030 /nfs/dbraw/zinc/55/00/30/987550030.db2.gz JUMSCYGFFJYKFD-YPMHNXCESA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@@]2(C)CCC[NH2+]C2)C1 ZINC001246187007 987564350 /nfs/dbraw/zinc/56/43/50/987564350.db2.gz FJCIGMSXLIXTRN-AGIUHOORSA-N 2 1 210.365 2.297 20 0 BEADMP Fc1cccc2c1CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)C2 ZINC001246186779 987568869 /nfs/dbraw/zinc/56/88/69/987568869.db2.gz HUPOJBCBJVYTGT-CHWSQXEVSA-N 2 1 248.345 2.025 20 0 BEADMP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246188121 987574759 /nfs/dbraw/zinc/57/47/59/987574759.db2.gz VHDFYGJEQMZFTQ-BXUZGUMPSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)C[NH2+]1 ZINC001246228865 987625116 /nfs/dbraw/zinc/62/51/16/987625116.db2.gz GYCLRYSFJHDAOT-HPCHECBXSA-N 2 1 222.376 2.295 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCCC2CCCC2)C[NH2+]1 ZINC001246238371 987639738 /nfs/dbraw/zinc/63/97/38/987639738.db2.gz LPGYBPLFBUOTEB-YPMHNXCESA-N 2 1 210.365 2.297 20 0 BEADMP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC001246240361 987641818 /nfs/dbraw/zinc/64/18/18/987641818.db2.gz VXRMXLVVMWQECH-FRRDWIJNSA-N 2 1 233.359 2.181 20 0 BEADMP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)n1 ZINC001246240363 987642065 /nfs/dbraw/zinc/64/20/65/987642065.db2.gz VXRMXLVVMWQECH-RWMBFGLXSA-N 2 1 233.359 2.181 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CC(C(F)F)C2)C1 ZINC001116619927 987646983 /nfs/dbraw/zinc/64/69/83/987646983.db2.gz YFDOBEUEPODDMM-VOMCLLRMSA-N 2 1 246.345 2.352 20 0 BEADMP CCCCC(=O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246271897 987666896 /nfs/dbraw/zinc/66/68/96/987666896.db2.gz JEXOYBLWICLXAZ-ACJTYDJDSA-N 2 1 238.375 2.007 20 0 BEADMP CCNCC[NH2+][C@@H](C)Cc1cccc(Cl)c1 ZINC001246271989 987667153 /nfs/dbraw/zinc/66/71/53/987667153.db2.gz KCTXTSMRUPPKAH-NSHDSACASA-N 2 1 240.778 2.470 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H](C)Cc1cccc(Cl)c1 ZINC001246271989 987667158 /nfs/dbraw/zinc/66/71/58/987667158.db2.gz KCTXTSMRUPPKAH-NSHDSACASA-N 2 1 240.778 2.470 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](C)Cc1ccccc1Cl ZINC001246274349 987669031 /nfs/dbraw/zinc/66/90/31/987669031.db2.gz WFUOPAVWPWGELP-LLVKDONJSA-N 2 1 240.778 2.470 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(O)cc32)CC[NH2+]1 ZINC001246285038 987678932 /nfs/dbraw/zinc/67/89/32/987678932.db2.gz FDWCCVPCWHXMTQ-IXPVHAAZSA-N 2 1 246.354 2.110 20 0 BEADMP CC[C@@H](CC(C)C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC001246324853 987731698 /nfs/dbraw/zinc/73/16/98/987731698.db2.gz HAUYEJZDTNANRD-AVGNSLFASA-N 2 1 212.381 2.399 20 0 BEADMP C[C@H]1CCC[C@@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC001246332648 987738345 /nfs/dbraw/zinc/73/83/45/987738345.db2.gz QVUWSIHYHLYEBM-RVMXOQNASA-N 2 1 210.365 2.153 20 0 BEADMP CC1(C)[C@@H]2C[C@@H]([NH2+][C@H]3C[NH2+]CCC3(C)C)C[C@@H]21 ZINC001246333595 987743223 /nfs/dbraw/zinc/74/32/23/987743223.db2.gz WCCUEVFFJPQHAV-RVMXOQNASA-N 2 1 236.403 2.399 20 0 BEADMP C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246333653 987743324 /nfs/dbraw/zinc/74/33/24/987743324.db2.gz KZVKDWZGOLKRRQ-YVECIDJPSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]C2CC3(C2)CC(F)(F)C3)C[NH2+]1 ZINC001246336657 987744202 /nfs/dbraw/zinc/74/42/02/987744202.db2.gz VBTNDAQLYRECOH-UWVGGRQHSA-N 2 1 244.329 2.294 20 0 BEADMP Fc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC001246357210 987764573 /nfs/dbraw/zinc/76/45/73/987764573.db2.gz KXHAJXYRNBBECG-HUUCEWRRSA-N 2 1 248.345 2.025 20 0 BEADMP C[C@@H]1CC([NH2+][C@H]2CNc3ccccc32)C[C@@H](C)[NH2+]1 ZINC001246354429 987764612 /nfs/dbraw/zinc/76/46/12/987764612.db2.gz FFOGVHCPVZLBDV-HFAKWTLXSA-N 2 1 245.370 2.272 20 0 BEADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CNc3ccccc32)CC[NH2+]1 ZINC001246356922 987765003 /nfs/dbraw/zinc/76/50/03/987765003.db2.gz RBQFVFFIOLHSOS-LALPHHSUSA-N 2 1 245.370 2.273 20 0 BEADMP Fc1cccc2c1CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC001246360980 987768390 /nfs/dbraw/zinc/76/83/90/987768390.db2.gz YGWUVGNTVWOQNO-CHWSQXEVSA-N 2 1 248.345 2.025 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@H]2CCc3ccccc3C2)C[NH2+]1 ZINC001246368117 987770195 /nfs/dbraw/zinc/77/01/95/987770195.db2.gz VWKPTLCPTCSXEC-RCBQFDQVSA-N 2 1 244.382 2.274 20 0 BEADMP Cc1ccnc(C(C)(C)C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC001246388845 987778100 /nfs/dbraw/zinc/77/81/00/987778100.db2.gz NAYQGNQFPDZUSS-ZDUSSCGKSA-N 2 1 247.386 2.009 20 0 BEADMP Fc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC001246395974 987783292 /nfs/dbraw/zinc/78/32/92/987783292.db2.gz NKAFZOWOPMSDOZ-LSDHHAIUSA-N 2 1 248.345 2.025 20 0 BEADMP CC(C)(CC1CCC1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246404841 987786512 /nfs/dbraw/zinc/78/65/12/987786512.db2.gz IODFRPUFLZTAEX-GFCCVEGCSA-N 2 1 210.365 2.297 20 0 BEADMP Fc1ccc([C@H]([NH2+]C2CC[NH2+]CC2)C2CC2)nc1 ZINC001246405842 987787724 /nfs/dbraw/zinc/78/77/24/987787724.db2.gz MUNROYCEFHYJCA-CQSZACIVSA-N 2 1 249.333 2.013 20 0 BEADMP CC(C)(C[NH2+][C@H]1CCC[NH2+]C1)CC1CC1 ZINC001246430019 987794160 /nfs/dbraw/zinc/79/41/60/987794160.db2.gz DPGSVJBNAPISAL-LBPRGKRZSA-N 2 1 210.365 2.154 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]C2(CC3CC3)CC2)C[NH2+]1 ZINC001246442832 987797798 /nfs/dbraw/zinc/79/77/98/987797798.db2.gz FAJWLOSJXBRXKJ-JQWIXIFHSA-N 2 1 208.349 2.049 20 0 BEADMP Cc1ccc([C@H]([NH2+]C2CC[NH2+]CC2)C2CC2)nc1 ZINC001246461153 987820566 /nfs/dbraw/zinc/82/05/66/987820566.db2.gz WPFZAKBQBRIJIV-OAHLLOKOSA-N 2 1 245.370 2.183 20 0 BEADMP CC[C@H](CC(C)C)[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC001246499127 987853663 /nfs/dbraw/zinc/85/36/63/987853663.db2.gz SMUVDAXOOZTSMD-UPJWGTAASA-N 2 1 212.381 2.399 20 0 BEADMP CC[C@H](C)OCC[C@@H](C)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246526269 987879897 /nfs/dbraw/zinc/87/98/97/987879897.db2.gz ADDBXTDCFWNIJW-FRRDWIJNSA-N 2 1 228.380 2.003 20 0 BEADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246526269 987879902 /nfs/dbraw/zinc/87/99/02/987879902.db2.gz ADDBXTDCFWNIJW-FRRDWIJNSA-N 2 1 228.380 2.003 20 0 BEADMP CCCC[C@@H](CCC)[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC001246536319 987893162 /nfs/dbraw/zinc/89/31/62/987893162.db2.gz ULRNRQAORQYOND-ZIAGYGMSSA-N 2 1 242.407 2.395 20 0 BEADMP CCCCC[C@H](CC)[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001246535691 987893197 /nfs/dbraw/zinc/89/31/97/987893197.db2.gz OTSUEILOINSQML-KBPBESRZSA-N 2 1 242.407 2.395 20 0 BEADMP CC[C@H](CC(C)C)[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246534740 987893450 /nfs/dbraw/zinc/89/34/50/987893450.db2.gz SNPIBFDBZLTVLE-VXGBXAGGSA-N 2 1 210.365 2.234 20 0 BEADMP CC[C@H](CC(C)C)[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246534740 987893454 /nfs/dbraw/zinc/89/34/54/987893454.db2.gz SNPIBFDBZLTVLE-VXGBXAGGSA-N 2 1 210.365 2.234 20 0 BEADMP CCCCC[C@@H](CC)[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001246535692 987894000 /nfs/dbraw/zinc/89/40/00/987894000.db2.gz OTSUEILOINSQML-KGLIPLIRSA-N 2 1 242.407 2.395 20 0 BEADMP CCCC[C@@H](CC)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246539285 987900583 /nfs/dbraw/zinc/90/05/83/987900583.db2.gz GYOWGEYBKJEKBX-YNEHKIRRSA-N 2 1 212.381 2.482 20 0 BEADMP CC(C)COCC[C@@H](C)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246541816 987910080 /nfs/dbraw/zinc/91/00/80/987910080.db2.gz NSEKRSUTZPXJSL-ZIAGYGMSSA-N 2 1 242.407 2.251 20 0 BEADMP CC1(C)CC[C@@H]([N@H+]2CCC[C@@H]([NH3+])CC2)C1 ZINC001246545345 987916121 /nfs/dbraw/zinc/91/61/21/987916121.db2.gz JHKFRHAUBAUUCY-VXGBXAGGSA-N 2 1 210.365 2.378 20 0 BEADMP CC[C@@H](C)OCC[C@H](C)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246546428 987931487 /nfs/dbraw/zinc/93/14/87/987931487.db2.gz MVOGMSJDLZNJJX-FQUUOJAGSA-N 2 1 242.407 2.392 20 0 BEADMP CC[C@@H](C)OCC[C@H](C)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246546428 987931497 /nfs/dbraw/zinc/93/14/97/987931497.db2.gz MVOGMSJDLZNJJX-FQUUOJAGSA-N 2 1 242.407 2.392 20 0 BEADMP C[C@@H](CC(F)(F)F)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246548207 987936139 /nfs/dbraw/zinc/93/61/39/987936139.db2.gz SUJLEHKQVXJYME-DTWKUNHWSA-N 2 1 224.270 2.141 20 0 BEADMP [NH3+]C[C@@]1(F)CCC[N@H+]([C@@H]2CCCSC2)CC1 ZINC001246551066 987941178 /nfs/dbraw/zinc/94/11/78/987941178.db2.gz OUDAKWATTAVEMW-VXGBXAGGSA-N 2 1 246.395 2.035 20 0 BEADMP C[C@@H](CC1CC1)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246552846 987950230 /nfs/dbraw/zinc/95/02/30/987950230.db2.gz VVDUYNXMIGZXFI-WCQYABFASA-N 2 1 228.355 2.328 20 0 BEADMP C[C@]1([NH3+])CCC[N@H+](C2CCSCC2)CC1 ZINC001246552432 987955612 /nfs/dbraw/zinc/95/56/12/987955612.db2.gz OJQMSQQWXOPEOT-LBPRGKRZSA-N 2 1 228.405 2.085 20 0 BEADMP CCSC[C@@H](C)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246556420 987964927 /nfs/dbraw/zinc/96/49/27/987964927.db2.gz ZRJCJXVVEBJJOO-NEPJUHHUSA-N 2 1 230.421 2.331 20 0 BEADMP CC[C@@H]1CC[C@H]([N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)C1 ZINC001246557586 987972499 /nfs/dbraw/zinc/97/24/99/987972499.db2.gz MIZWOROXXRCCCN-WOPDTQHZSA-N 2 1 246.345 2.481 20 0 BEADMP CCOCC[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246557351 987973814 /nfs/dbraw/zinc/97/38/14/987973814.db2.gz KQYSUULNKBPTPX-IHRRRGAJSA-N 2 1 242.407 2.108 20 0 BEADMP CSCC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246559538 987984638 /nfs/dbraw/zinc/98/46/38/987984638.db2.gz BFLYFGWCWZSRHI-AGIUHOORSA-N 2 1 244.448 2.435 20 0 BEADMP CCC(CC)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246561928 987993327 /nfs/dbraw/zinc/99/33/27/987993327.db2.gz USYNDFFNBYPQKT-RYUDHWBXSA-N 2 1 212.381 2.482 20 0 BEADMP CCCCCC[C@@H](CCC)N1C[C@@H]([NH3+])[C@H](O)C1 ZINC001246562007 987994362 /nfs/dbraw/zinc/99/43/62/987994362.db2.gz XXLCNEUKRUFFFX-MGPQQGTHSA-N 2 1 242.407 2.129 20 0 BEADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1C[NH3+] ZINC001246561417 987999447 /nfs/dbraw/zinc/99/94/47/987999447.db2.gz SLTVLHYHBFMFMJ-POQQGIQPSA-N 2 1 222.376 2.092 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCC(F)(F)[C@@H](C)C2)CC[NH2+]1 ZINC001246562940 988003157 /nfs/dbraw/zinc/00/31/57/988003157.db2.gz IKNHWNOWWILWQV-HBNTYKKESA-N 2 1 232.318 2.104 20 0 BEADMP CC(C)COCC[C@@H](C)[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246563444 988006660 /nfs/dbraw/zinc/00/66/60/988006660.db2.gz JWCRCFVXQUPHNM-MCIONIFRSA-N 2 1 242.407 2.107 20 0 BEADMP CC(C)COCC[C@@H](C)[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246563444 988006678 /nfs/dbraw/zinc/00/66/78/988006678.db2.gz JWCRCFVXQUPHNM-MCIONIFRSA-N 2 1 242.407 2.107 20 0 BEADMP Cc1cccc2c1C[N@@H+]([C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246566662 988030304 /nfs/dbraw/zinc/03/03/04/988030304.db2.gz IPSNYJRUCORMBQ-JSGCOSHPSA-N 2 1 230.355 2.451 20 0 BEADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)CCC[C@H]1C[NH3+] ZINC001246571795 988061726 /nfs/dbraw/zinc/06/17/26/988061726.db2.gz WYZLHAYFWBAYGA-XHJNMGKDSA-N 2 1 222.376 2.092 20 0 BEADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@H](C)[C@H](C)C1 ZINC001246572969 988066239 /nfs/dbraw/zinc/06/62/39/988066239.db2.gz LNHDZFKQQNZENQ-XQQFMLRXSA-N 2 1 212.381 2.352 20 0 BEADMP CSCC[C@H](C)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246580937 988108354 /nfs/dbraw/zinc/10/83/54/988108354.db2.gz JCAFOVJBKGDBBC-RYUDHWBXSA-N 2 1 230.421 2.189 20 0 BEADMP CCSCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118197863 988088474 /nfs/dbraw/zinc/08/84/74/988088474.db2.gz FCJGKRZXVTYCQA-UHFFFAOYSA-N 2 1 242.432 2.205 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](C)[C@@H](C)C2)CC[NH2+]1 ZINC001246578143 988090516 /nfs/dbraw/zinc/09/05/16/988090516.db2.gz YJQMPHGCOLYBLB-IGQOVBAYSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@H]2CCCSC2)CC1 ZINC001246579959 988096655 /nfs/dbraw/zinc/09/66/55/988096655.db2.gz VOUGVAJGNLRLPA-QWHCGFSZSA-N 2 1 242.432 2.333 20 0 BEADMP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2CCCSC2)CC1 ZINC001246579957 988101824 /nfs/dbraw/zinc/10/18/24/988101824.db2.gz VOUGVAJGNLRLPA-OLZOCXBDSA-N 2 1 242.432 2.333 20 0 BEADMP CSCC[C@H](C)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246580935 988116969 /nfs/dbraw/zinc/11/69/69/988116969.db2.gz JCAFOVJBKGDBBC-NWDGAFQWSA-N 2 1 230.421 2.189 20 0 BEADMP CC(C)OCC[C@@H](C)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246584167 988122661 /nfs/dbraw/zinc/12/26/61/988122661.db2.gz SOQUJIIKDGVMBP-ZIAGYGMSSA-N 2 1 242.407 2.251 20 0 BEADMP CCCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246585410 988131994 /nfs/dbraw/zinc/13/19/94/988131994.db2.gz KHALVSDSMUOPPU-SDDRHHMPSA-N 2 1 216.344 2.326 20 0 BEADMP CCCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246585410 988132001 /nfs/dbraw/zinc/13/20/01/988132001.db2.gz KHALVSDSMUOPPU-SDDRHHMPSA-N 2 1 216.344 2.326 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@](C)(C[NH3+])C2)CCO1 ZINC001246585581 988139906 /nfs/dbraw/zinc/13/99/06/988139906.db2.gz PIEDEAYFKWHYIY-HZSPNIEDSA-N 2 1 240.391 2.005 20 0 BEADMP CCOCC[C@H](C)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246595227 988186603 /nfs/dbraw/zinc/18/66/03/988186603.db2.gz SHSOHVYPPUUEDK-UONOGXRCSA-N 2 1 242.407 2.252 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2CCCC[C@](C)(C[NH3+])C2)CCO1 ZINC001246594243 988186762 /nfs/dbraw/zinc/18/67/62/988186762.db2.gz PIEDEAYFKWHYIY-BFHYXJOUSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H](Cc1ccco1)[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246613443 988246422 /nfs/dbraw/zinc/24/64/22/988246422.db2.gz ZUEOPADQWIQNIJ-DZGCQCFKSA-N 2 1 248.370 2.429 20 0 BEADMP C[C@@H](Cc1ccco1)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246613443 988246449 /nfs/dbraw/zinc/24/64/49/988246449.db2.gz ZUEOPADQWIQNIJ-DZGCQCFKSA-N 2 1 248.370 2.429 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)C[C@@H]1C ZINC001246617537 988252757 /nfs/dbraw/zinc/25/27/57/988252757.db2.gz DBILPCBQUSZUSJ-CAEXGNQWSA-N 2 1 236.403 2.495 20 0 BEADMP CC(C)CCC[C@H](C)[NH+]1CC2(C1)CC[NH2+]C2 ZINC001246616467 988260622 /nfs/dbraw/zinc/26/06/22/988260622.db2.gz WPSUBIGHRDZGEI-ZDUSSCGKSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H](CC(C)C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246634124 988276076 /nfs/dbraw/zinc/27/60/76/988276076.db2.gz AIQIMIYWYPRPJE-YNEHKIRRSA-N 2 1 210.365 2.105 20 0 BEADMP CC1(C)CCC[C@@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246629778 988309157 /nfs/dbraw/zinc/30/91/57/988309157.db2.gz GLOOVYGWHCNHOJ-FRRDWIJNSA-N 2 1 222.376 2.391 20 0 BEADMP CCC[C@@H](C)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246641304 988350784 /nfs/dbraw/zinc/35/07/84/988350784.db2.gz DHVWQVWJONFZMG-CHWSQXEVSA-N 2 1 210.365 2.393 20 0 BEADMP C1[C@@H]2C[C@@H]([N@H+]3CCCC[C@]34CC[NH2+]C4)C[C@H]12 ZINC001246645853 988360874 /nfs/dbraw/zinc/36/08/74/988360874.db2.gz WSKZRICTSLUXDG-XJFOESAGSA-N 2 1 220.360 2.003 20 0 BEADMP C[C@@H]1CC([N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@H](C)C1 ZINC001246647251 988367337 /nfs/dbraw/zinc/36/73/37/988367337.db2.gz JKXBESTWCJFNSE-FQUUOJAGSA-N 2 1 236.403 2.352 20 0 BEADMP CC[C@H](CC(C)C)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246649154 988368972 /nfs/dbraw/zinc/36/89/72/988368972.db2.gz ALOGTNNSRSGCFN-YNEHKIRRSA-N 2 1 210.365 2.105 20 0 BEADMP CC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246648238 988371401 /nfs/dbraw/zinc/37/14/01/988371401.db2.gz WYBDURUCRDZFNS-HRCADAONSA-N 2 1 244.382 2.301 20 0 BEADMP CC[C@@H](Cc1ccccc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246648238 988371415 /nfs/dbraw/zinc/37/14/15/988371415.db2.gz WYBDURUCRDZFNS-HRCADAONSA-N 2 1 244.382 2.301 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3CCC[C@H]3C2)CC[NH2+]1 ZINC001246653416 988377537 /nfs/dbraw/zinc/37/75/37/988377537.db2.gz DMLRGTQBXRZTRB-ZOBORPQBSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3CCC[C@H]3C2)CC[NH2+]1 ZINC001246653416 988377543 /nfs/dbraw/zinc/37/75/43/988377543.db2.gz DMLRGTQBXRZTRB-ZOBORPQBSA-N 2 1 222.376 2.249 20 0 BEADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3C[C@H]4CCC[NH2+][C@H]4C3)C[C@@H]21 ZINC001246655387 988385272 /nfs/dbraw/zinc/38/52/72/988385272.db2.gz HPOUQBDEMLCUHL-POQQGIQPSA-N 2 1 234.387 2.105 20 0 BEADMP C[C@H]1C[C@H]([N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)CC(C)(C)C1 ZINC001246655314 988385535 /nfs/dbraw/zinc/38/55/35/988385535.db2.gz HENGGZJFUBQPRD-JZRPKSSGSA-N 2 1 222.376 2.090 20 0 BEADMP CCCC[C@@H](CC(C)C)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246657455 988385833 /nfs/dbraw/zinc/38/58/33/988385833.db2.gz MHCHQAMZUXPSLY-IGQOVBAYSA-N 2 1 224.392 2.480 20 0 BEADMP CC[C@H](CC(C)C)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246657337 988386772 /nfs/dbraw/zinc/38/67/72/988386772.db2.gz LYAPPIBBZBABMU-MCIONIFRSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)CC(C)(C)C1 ZINC001246655311 988386944 /nfs/dbraw/zinc/38/69/44/988386944.db2.gz HENGGZJFUBQPRD-FHUSYTEZSA-N 2 1 222.376 2.090 20 0 BEADMP CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246661408 988396574 /nfs/dbraw/zinc/39/65/74/988396574.db2.gz WVMYHYMFPFBHBB-BJJPWKGXSA-N 2 1 224.392 2.336 20 0 BEADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3C[C@H]4CCC[C@@]4([NH3+])C3)C[C@@H]21 ZINC001246661434 988397634 /nfs/dbraw/zinc/39/76/34/988397634.db2.gz FPECUQPQFVHLJZ-XLFUENPSSA-N 2 1 234.387 2.234 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)C[C@@H]1C ZINC001246661418 988398246 /nfs/dbraw/zinc/39/82/46/988398246.db2.gz XDSBXHAHRYUXKM-SEBNEYGDSA-N 2 1 236.403 2.495 20 0 BEADMP CCC[C@@H](CC)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246665813 988403060 /nfs/dbraw/zinc/40/30/60/988403060.db2.gz QQOWPRYRYAKAIZ-JHJVBQTASA-N 2 1 210.365 2.378 20 0 BEADMP CC[C@H](CC(C)C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001246665178 988405647 /nfs/dbraw/zinc/40/56/47/988405647.db2.gz YUSBUEXCDKNFRU-MJBXVCDLSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](CC(C)C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001246665178 988405655 /nfs/dbraw/zinc/40/56/55/988405655.db2.gz YUSBUEXCDKNFRU-MJBXVCDLSA-N 2 1 224.392 2.495 20 0 BEADMP CCCC[C@H](CCC)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246667074 988410810 /nfs/dbraw/zinc/41/08/10/988410810.db2.gz XRVVYGXYMYXATN-RVMXOQNASA-N 2 1 210.365 2.234 20 0 BEADMP C[C@H]1C[C@@H]([N@@H+](C)CCOc2ccccc2)CC[NH2+]1 ZINC001246782716 988464573 /nfs/dbraw/zinc/46/45/73/988464573.db2.gz ULLLNXWVVYVOSL-KBPBESRZSA-N 2 1 248.370 2.138 20 0 BEADMP C[NH2+]CC[C@H](C)[N@@H+](C)CCc1ccc(C)cc1 ZINC001246812988 988497011 /nfs/dbraw/zinc/49/70/11/988497011.db2.gz HBIPLZHKOTYFNS-AWEZNQCLSA-N 2 1 234.387 2.467 20 0 BEADMP CCCC[C@H](CC)[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001246842538 988546100 /nfs/dbraw/zinc/54/61/00/988546100.db2.gz CIJQFELMXXOATR-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP CCCC[C@H](CC)[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001246842535 988547690 /nfs/dbraw/zinc/54/76/90/988547690.db2.gz CIJQFELMXXOATR-IHRRRGAJSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC2(C)C)CC[NH2+]1 ZINC001246846182 988558433 /nfs/dbraw/zinc/55/84/33/988558433.db2.gz NDDBSKYPKCPMMD-WOPDTQHZSA-N 2 1 210.365 2.105 20 0 BEADMP CC1(C)CCC[C@H]([N@H+]2C[C@H]3CC[C@]3([NH3+])C2)C1 ZINC001246857029 988578242 /nfs/dbraw/zinc/57/82/42/988578242.db2.gz ZBAXGEYHZXYKBB-DYEKYZERSA-N 2 1 222.376 2.378 20 0 BEADMP [NH3+][C@]12CC[C@@H]1C[N@H+](C1CCCCCC1)C2 ZINC001246862768 988607745 /nfs/dbraw/zinc/60/77/45/988607745.db2.gz RHYPIDMGCSDFNF-YPMHNXCESA-N 2 1 208.349 2.132 20 0 BEADMP CCCC[C@H](CC)[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246864005 988612082 /nfs/dbraw/zinc/61/20/82/988612082.db2.gz STXCJZAOWKDXBZ-RWMBFGLXSA-N 2 1 210.365 2.378 20 0 BEADMP CC[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246870903 988637263 /nfs/dbraw/zinc/63/72/63/988637263.db2.gz PWPJNMQDHHPOCD-RBSFLKMASA-N 2 1 230.355 2.041 20 0 BEADMP CC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246870903 988637284 /nfs/dbraw/zinc/63/72/84/988637284.db2.gz PWPJNMQDHHPOCD-RBSFLKMASA-N 2 1 230.355 2.041 20 0 BEADMP COc1cccc(C[C@H](C)[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC001246916703 988715092 /nfs/dbraw/zinc/71/50/92/988715092.db2.gz OXXCMJUCQIUHJM-GXTWGEPZSA-N 2 1 248.370 2.049 20 0 BEADMP COc1cccc(C[C@H](C)[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC001246916703 988715103 /nfs/dbraw/zinc/71/51/03/988715103.db2.gz OXXCMJUCQIUHJM-GXTWGEPZSA-N 2 1 248.370 2.049 20 0 BEADMP CCCC1CCC([N@@H+]2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001246923378 988740756 /nfs/dbraw/zinc/74/07/56/988740756.db2.gz YHWVUKCEPLKIEB-GNRIBBGQSA-N 2 1 222.376 2.249 20 0 BEADMP CCCC1CCC([N@H+]2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001246923378 988740769 /nfs/dbraw/zinc/74/07/69/988740769.db2.gz YHWVUKCEPLKIEB-GNRIBBGQSA-N 2 1 222.376 2.249 20 0 BEADMP CCCC1CCC([N@@H+]2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246923382 988741335 /nfs/dbraw/zinc/74/13/35/988741335.db2.gz YHWVUKCEPLKIEB-HHTDUIENSA-N 2 1 222.376 2.249 20 0 BEADMP CCCC1CCC([N@H+]2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246923382 988741352 /nfs/dbraw/zinc/74/13/52/988741352.db2.gz YHWVUKCEPLKIEB-HHTDUIENSA-N 2 1 222.376 2.249 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C(C)(C)OC)C1 ZINC001324240028 988763957 /nfs/dbraw/zinc/76/39/57/988763957.db2.gz QDNZPDFRQUSFLU-QWHCGFSZSA-N 2 1 242.407 2.121 20 0 BEADMP CC1(C)CC[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246931936 988764863 /nfs/dbraw/zinc/76/48/63/988764863.db2.gz NYPDDDOTYZQJDM-MJBXVCDLSA-N 2 1 236.403 2.497 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C(C)(C)OC)C1 ZINC001324240029 988766686 /nfs/dbraw/zinc/76/66/86/988766686.db2.gz QDNZPDFRQUSFLU-STQMWFEESA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246941955 988774509 /nfs/dbraw/zinc/77/45/09/988774509.db2.gz MVMVGWALVRBVLB-BYNSBNAKSA-N 2 1 236.403 2.497 20 0 BEADMP CCCCC[C@H](C)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246947144 988782351 /nfs/dbraw/zinc/78/23/51/988782351.db2.gz IXEKUNBXOAJZGW-WUHRBBMRSA-N 2 1 210.365 2.105 20 0 BEADMP CCCC[C@@H](CC)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246948444 988786507 /nfs/dbraw/zinc/78/65/07/988786507.db2.gz QIUWDPDRHQTZEM-NDBYEHHHSA-N 2 1 210.365 2.105 20 0 BEADMP CC[C@H](C)C[C@H](CC)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246949546 988787506 /nfs/dbraw/zinc/78/75/06/988787506.db2.gz UBIVQKGRMBUJER-QSLWVIQJSA-N 2 1 224.392 2.351 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC(C)(C)C1 ZINC001246951093 988788529 /nfs/dbraw/zinc/78/85/29/988788529.db2.gz ZPUXOAYWKXMCEZ-BJJPWKGXSA-N 2 1 236.403 2.351 20 0 BEADMP CC[C@H]([NH3+])C[N@H+](C)[C@H](C)Cc1ccccc1F ZINC001246975473 988803301 /nfs/dbraw/zinc/80/33/01/988803301.db2.gz UPHFVRBFKNXVDG-YPMHNXCESA-N 2 1 238.350 2.426 20 0 BEADMP CC[C@H]([NH3+])C[N@@H+](C)[C@H](C)Cc1ccccc1F ZINC001246975473 988803303 /nfs/dbraw/zinc/80/33/03/988803303.db2.gz UPHFVRBFKNXVDG-YPMHNXCESA-N 2 1 238.350 2.426 20 0 BEADMP CCSC[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247005797 988835298 /nfs/dbraw/zinc/83/52/98/988835298.db2.gz GRRHQLYKVAPVGU-YNEHKIRRSA-N 2 1 242.432 2.202 20 0 BEADMP CCSC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247005797 988835300 /nfs/dbraw/zinc/83/53/00/988835300.db2.gz GRRHQLYKVAPVGU-YNEHKIRRSA-N 2 1 242.432 2.202 20 0 BEADMP CCc1ccc(NCC[C@@H](C)[NH+](C)C)[nH+]c1 ZINC001515892282 989128427 /nfs/dbraw/zinc/12/84/27/989128427.db2.gz RQIRPPQOTGXQPS-LLVKDONJSA-N 2 1 221.348 2.396 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cscc1Cl ZINC001325628214 989219290 /nfs/dbraw/zinc/21/92/90/989219290.db2.gz XKQWUAUHPRUZAU-QMMMGPOBSA-N 2 1 232.780 2.347 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC001325743908 989248517 /nfs/dbraw/zinc/24/85/17/989248517.db2.gz REINDRZZGFOXKB-ZJUUUORDSA-N 2 1 241.766 2.384 20 0 BEADMP CSC1CC([NH2+][C@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001119688568 989334281 /nfs/dbraw/zinc/33/42/81/989334281.db2.gz IOZIVYHQMKGLGI-IFWUJCSASA-N 2 1 242.432 2.343 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(F)c(F)c1 ZINC001326073949 989366841 /nfs/dbraw/zinc/36/68/41/989366841.db2.gz BSFMMNRJLJSXLY-SECBINFHSA-N 2 1 228.286 2.052 20 0 BEADMP CCC(=O)CC[N@H+](C)[C@H]1CCN(CC)C[C@@H]1C ZINC001326304739 989473507 /nfs/dbraw/zinc/47/35/07/989473507.db2.gz GJXZPDCBOJTADB-JSGCOSHPSA-N 2 1 240.391 2.018 20 0 BEADMP CCC(=O)CC[N@H+](C)[C@H]1CCN(CC)C[C@H]1C ZINC001326304742 989475694 /nfs/dbraw/zinc/47/56/94/989475694.db2.gz GJXZPDCBOJTADB-OCCSQVGLSA-N 2 1 240.391 2.018 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC001326474169 989575456 /nfs/dbraw/zinc/57/54/56/989575456.db2.gz TXQYBZIEVIDZOF-UWVGGRQHSA-N 2 1 241.766 2.384 20 0 BEADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2c2cc[nH+]cc2)C1 ZINC001120860874 989931851 /nfs/dbraw/zinc/93/18/51/989931851.db2.gz UVVNCXLHLGVRCM-TZMCWYRMSA-N 2 1 231.343 2.002 20 0 BEADMP C[C@H]1CC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138769271 991035107 /nfs/dbraw/zinc/03/51/07/991035107.db2.gz MMRNUECDKBYZRJ-ZDUSSCGKSA-N 2 1 248.370 2.221 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cccc(F)c3)[C@H]2C1 ZINC001308554299 991037215 /nfs/dbraw/zinc/03/72/15/991037215.db2.gz NVQJHFJYTGZLGU-AEGPPILISA-N 2 1 248.345 2.256 20 0 BEADMP C[C@H]1C[C@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C[C@@H](C)C1 ZINC001258169135 991064987 /nfs/dbraw/zinc/06/49/87/991064987.db2.gz USXDQRYXSJLCJA-OYQDBORRSA-N 2 1 236.403 2.305 20 0 BEADMP C[C@H]1C[C@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C[C@@H](C)C1 ZINC001258169135 991064997 /nfs/dbraw/zinc/06/49/97/991064997.db2.gz USXDQRYXSJLCJA-OYQDBORRSA-N 2 1 236.403 2.305 20 0 BEADMP C[C@H]1C[C@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C[C@@H](C)C1 ZINC001258169135 991065004 /nfs/dbraw/zinc/06/50/04/991065004.db2.gz USXDQRYXSJLCJA-OYQDBORRSA-N 2 1 236.403 2.305 20 0 BEADMP C[C@@H](Cc1ccco1)[N@@H+](C)CCC[NH+](C)C ZINC001258184535 991086634 /nfs/dbraw/zinc/08/66/34/991086634.db2.gz DTEUEHRMLVARGH-LBPRGKRZSA-N 2 1 224.348 2.094 20 0 BEADMP Cc1cc(C)c(C[NH+]2CC(C)(C[NH3+])C2)cc1C ZINC001206729317 991088931 /nfs/dbraw/zinc/08/89/31/991088931.db2.gz CCVYHYKMUSEMJH-UHFFFAOYSA-N 2 1 232.371 2.392 20 0 BEADMP CSCC[C@H](C)n1cc[nH+]c1CCC[NH3+] ZINC001258212487 991133666 /nfs/dbraw/zinc/13/36/66/991133666.db2.gz GDEQIXWJZOKLDJ-JTQLQIEISA-N 2 1 227.377 2.089 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CC4(CCC4)C3)[C@H]2C1 ZINC001308983728 991251329 /nfs/dbraw/zinc/25/13/29/991251329.db2.gz AVYILQVSOFLQMX-FPMFFAJLSA-N 2 1 234.387 2.249 20 0 BEADMP C[C@@H](CC1CC1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001258461667 991420080 /nfs/dbraw/zinc/42/00/80/991420080.db2.gz DOXJPCONKMEFCS-LBPRGKRZSA-N 2 1 224.392 2.449 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(F)cc3)[C@@H]2C1 ZINC001560623367 991527769 /nfs/dbraw/zinc/52/77/69/991527769.db2.gz VGELHERJRJSIJZ-CFVMTHIKSA-N 2 1 248.345 2.256 20 0 BEADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001258608388 991527938 /nfs/dbraw/zinc/52/79/38/991527938.db2.gz JECLOKGOOUMQIR-HZSPNIEDSA-N 2 1 236.403 2.449 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001258608388 991527949 /nfs/dbraw/zinc/52/79/49/991527949.db2.gz JECLOKGOOUMQIR-HZSPNIEDSA-N 2 1 236.403 2.449 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001258608388 991527960 /nfs/dbraw/zinc/52/79/60/991527960.db2.gz JECLOKGOOUMQIR-HZSPNIEDSA-N 2 1 236.403 2.449 20 0 BEADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001258608391 991528297 /nfs/dbraw/zinc/52/82/97/991528297.db2.gz JECLOKGOOUMQIR-MJBXVCDLSA-N 2 1 236.403 2.449 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001258608391 991528312 /nfs/dbraw/zinc/52/83/12/991528312.db2.gz JECLOKGOOUMQIR-MJBXVCDLSA-N 2 1 236.403 2.449 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001258608391 991528324 /nfs/dbraw/zinc/52/83/24/991528324.db2.gz JECLOKGOOUMQIR-MJBXVCDLSA-N 2 1 236.403 2.449 20 0 BEADMP C[C@H](Cc1cccnc1)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001258613199 991535318 /nfs/dbraw/zinc/53/53/18/991535318.db2.gz LFBKMGKZFBDRFR-UKRRQHHQSA-N 2 1 247.386 2.087 20 0 BEADMP CC[NH+]1CCC(C[N@@H+](C)Cc2ccoc2)CC1 ZINC001560679114 991547243 /nfs/dbraw/zinc/54/72/43/991547243.db2.gz BUGJBYPJSJTYBJ-UHFFFAOYSA-N 2 1 236.359 2.443 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](C)[C@H](F)C2)CC1 ZINC001560708080 991568084 /nfs/dbraw/zinc/56/80/84/991568084.db2.gz BATLXMGYRLGXNN-GXTWGEPZSA-N 2 1 242.382 2.398 20 0 BEADMP CCC[NH+]1CCC([NH+]2C3CCC2CC3)CC1 ZINC001258775623 991738354 /nfs/dbraw/zinc/73/83/54/991738354.db2.gz WPWYYTWJARSLRT-UHFFFAOYSA-N 2 1 222.376 2.488 20 0 BEADMP CCC[NH+]1CCC([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC1 ZINC001258775827 991747325 /nfs/dbraw/zinc/74/73/25/991747325.db2.gz GPGDYVMKMVMVQP-UBHSHLNASA-N 2 1 240.366 2.293 20 0 BEADMP CCC[NH+]1CCC([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC1 ZINC001258775827 991747333 /nfs/dbraw/zinc/74/73/33/991747333.db2.gz GPGDYVMKMVMVQP-UBHSHLNASA-N 2 1 240.366 2.293 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1C[C@@H](F)[C@H](F)C1 ZINC001258908287 991899025 /nfs/dbraw/zinc/89/90/25/991899025.db2.gz ULHLEECAGSAPBX-JHJVBQTASA-N 2 1 248.361 2.489 20 0 BEADMP CCOC1CC([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001320130293 992112614 /nfs/dbraw/zinc/11/26/14/992112614.db2.gz CQDSTLIIKMNNNM-HOAMVYINSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]([NH2+]Cc1ccc2c(c1)CCC2)[C@H](C)[NH3+] ZINC001261370810 992279394 /nfs/dbraw/zinc/27/93/94/992279394.db2.gz VCIGDOPNIOYFCQ-WDEREUQCSA-N 2 1 218.344 2.001 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC001261424618 992298233 /nfs/dbraw/zinc/29/82/33/992298233.db2.gz ZETOSAOIVUJHDW-UWVGGRQHSA-N 2 1 241.766 2.384 20 0 BEADMP C[C@H]([NH2+]C/C=C/C1CC1)c1c[nH+]ccc1N ZINC001261423666 992298944 /nfs/dbraw/zinc/29/89/44/992298944.db2.gz BDRQHLIIRFQXBX-PBKGFPTLSA-N 2 1 217.316 2.111 20 0 BEADMP CC[C@@H](C)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261490128 992340916 /nfs/dbraw/zinc/34/09/16/992340916.db2.gz MLVOSMUHZXZGNF-CYBMUJFWSA-N 2 1 224.392 2.498 20 0 BEADMP FC1(F)CC[C@@H](CC[NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001574227530 992824781 /nfs/dbraw/zinc/82/47/81/992824781.db2.gz URKVHTRVHUSNPY-QWRGUYRKSA-N 2 1 232.318 2.154 20 0 BEADMP C1=C(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CCC1 ZINC001574773992 992903805 /nfs/dbraw/zinc/90/38/05/992903805.db2.gz IAOCXUKHLZBJFN-CQSZACIVSA-N 2 1 220.360 2.172 20 0 BEADMP CC(C)(C[NH3+])[NH2+]CCc1ccc(F)cc1Cl ZINC001575317381 993011539 /nfs/dbraw/zinc/01/15/39/993011539.db2.gz AISBRFSRWZJWED-UHFFFAOYSA-N 2 1 244.741 2.349 20 0 BEADMP CC(C)(C[NH3+])[NH2+]C1CC(C)(c2ccccc2)C1 ZINC001575318650 993012466 /nfs/dbraw/zinc/01/24/66/993012466.db2.gz XLLGHHTVVIXWBV-UHFFFAOYSA-N 2 1 232.371 2.434 20 0 BEADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CC[C@H](C2CCC2)C1 ZINC001575423815 993041247 /nfs/dbraw/zinc/04/12/47/993041247.db2.gz YPBYGDFYDFQJPZ-KBPBESRZSA-N 2 1 224.392 2.339 20 0 BEADMP CC(C)[C@H]1CC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC001575508347 993061961 /nfs/dbraw/zinc/06/19/61/993061961.db2.gz SIFOZKDQKXBLQP-OLZOCXBDSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)c1cccc2c1CC[N@H+](CC1C[NH2+]C1)C2 ZINC001575864705 993116184 /nfs/dbraw/zinc/11/61/84/993116184.db2.gz YICBATGVCSEKAD-UHFFFAOYSA-N 2 1 244.382 2.388 20 0 BEADMP CC(C)c1cccc2c1CC[N@@H+](CC1C[NH2+]C1)C2 ZINC001575864705 993116190 /nfs/dbraw/zinc/11/61/90/993116190.db2.gz YICBATGVCSEKAD-UHFFFAOYSA-N 2 1 244.382 2.388 20 0 BEADMP C[C@@H]1CCC[C@H]([N@H+]2CCC[C@@H]([NH3+])CC2)C1 ZINC000378665200 993198071 /nfs/dbraw/zinc/19/80/71/993198071.db2.gz FQECACHFXDOELQ-UPJWGTAASA-N 2 1 210.365 2.378 20 0 BEADMP C[C@@H]([NH3+])C[NH2+]Cc1ccccc1CC(F)(F)F ZINC001576160112 993202487 /nfs/dbraw/zinc/20/24/87/993202487.db2.gz XZNHUTJBFINNNY-SECBINFHSA-N 2 1 246.276 2.228 20 0 BEADMP C[C@@H](CC1CC1)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000379855307 993290816 /nfs/dbraw/zinc/29/08/16/993290816.db2.gz BSZWEZJIMBIUCZ-WCQYABFASA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1CC([N@H+]2CCCC[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000379928233 993300376 /nfs/dbraw/zinc/30/03/76/993300376.db2.gz TVMHHFDHKHFVSX-JHJVBQTASA-N 2 1 240.391 2.003 20 0 BEADMP CC1(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)CCC1 ZINC001576502399 993324003 /nfs/dbraw/zinc/32/40/03/993324003.db2.gz CIINHJMKVSDBBL-RYUDHWBXSA-N 2 1 208.349 2.003 20 0 BEADMP CC1(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)CCC1 ZINC001576502399 993324008 /nfs/dbraw/zinc/32/40/08/993324008.db2.gz CIINHJMKVSDBBL-RYUDHWBXSA-N 2 1 208.349 2.003 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2C=CCCC2)CC1 ZINC000380360460 993328966 /nfs/dbraw/zinc/32/89/66/993328966.db2.gz YHHHNRMTSMSEEO-QWHCGFSZSA-N 2 1 208.349 2.169 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000381201677 993380256 /nfs/dbraw/zinc/38/02/56/993380256.db2.gz FJMFIVHKHFQICP-RQJABVFESA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CCC[C@H](C)[N@@H+](CC2(C[NH3+])CC2)C1 ZINC001576669528 993387846 /nfs/dbraw/zinc/38/78/46/993387846.db2.gz SKZMZDIYHYAIFU-NEPJUHHUSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C[C@H]1C ZINC001576732440 993410648 /nfs/dbraw/zinc/41/06/48/993410648.db2.gz UHEVJINALQQPCX-QNWHQSFQSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C1CC(F)(F)C1 ZINC001576748363 993411815 /nfs/dbraw/zinc/41/18/15/993411815.db2.gz IYXWQLZKQZTBRC-DTHBNOIPSA-N 2 1 246.345 2.396 20 0 BEADMP C[C@H]1Oc2ccccc2[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001576913891 993453412 /nfs/dbraw/zinc/45/34/12/993453412.db2.gz MBJIEGWBAOZAEV-JMSVASOKSA-N 2 1 246.354 2.098 20 0 BEADMP Cc1ccc(N[C@H]2CCC[C@H]([NH3+])C2)[nH+]c1 ZINC000382434507 993460101 /nfs/dbraw/zinc/46/01/01/993460101.db2.gz UHBBORSQYMYUOP-QWRGUYRKSA-N 2 1 205.305 2.072 20 0 BEADMP CC[C@](C)([NH2+]C[C@H]([NH3+])CC(F)(F)F)C1CC1 ZINC001576961099 993466944 /nfs/dbraw/zinc/46/69/44/993466944.db2.gz RVKRKZPAJCDKDV-ZJUUUORDSA-N 2 1 238.297 2.434 20 0 BEADMP CC[C@@H](C)[N@@H+](CCO)C[C@@H]([NH3+])CCC(C)(C)C ZINC001576996832 993482098 /nfs/dbraw/zinc/48/20/98/993482098.db2.gz XQSDYQWDRIYWGW-OLZOCXBDSA-N 2 1 244.423 2.233 20 0 BEADMP N[C@@H]1CC[N@H+](CCCCOCc2ccccc2)C1 ZINC000383833669 993523452 /nfs/dbraw/zinc/52/34/52/993523452.db2.gz SCPYBAUVTRZVHE-OAHLLOKOSA-N 2 1 248.370 2.016 20 0 BEADMP N[C@@H]1CC[N@@H+](CCCCOCc2ccccc2)C1 ZINC000383833669 993523459 /nfs/dbraw/zinc/52/34/59/993523459.db2.gz SCPYBAUVTRZVHE-OAHLLOKOSA-N 2 1 248.370 2.016 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](CCCCOCc2ccccc2)C1 ZINC000383833669 993523466 /nfs/dbraw/zinc/52/34/66/993523466.db2.gz SCPYBAUVTRZVHE-OAHLLOKOSA-N 2 1 248.370 2.016 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](CCCCOCc2ccccc2)C1 ZINC000383833669 993523472 /nfs/dbraw/zinc/52/34/72/993523472.db2.gz SCPYBAUVTRZVHE-OAHLLOKOSA-N 2 1 248.370 2.016 20 0 BEADMP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)C1 ZINC001577246533 993553019 /nfs/dbraw/zinc/55/30/19/993553019.db2.gz DTMIYRKYWPGLMF-CBBWQLFWSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)C1 ZINC001577246533 993553030 /nfs/dbraw/zinc/55/30/30/993553030.db2.gz DTMIYRKYWPGLMF-CBBWQLFWSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)[C@H]1C ZINC001577263382 993570150 /nfs/dbraw/zinc/57/01/50/993570150.db2.gz RMWFVMXRIMBMTH-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@@H+](CCCC[NH3+])Cc1cccc2cccnc21 ZINC000384950665 993637988 /nfs/dbraw/zinc/63/79/88/993637988.db2.gz AHUBQTNWKVHAHL-UHFFFAOYSA-N 2 1 243.354 2.406 20 0 BEADMP Cc1[nH]c2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000385122419 993650961 /nfs/dbraw/zinc/65/09/61/993650961.db2.gz DJEUUEAAZAFWFW-BXUZGUMPSA-N 2 1 243.354 2.398 20 0 BEADMP Cc1[nH]c2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000385122419 993650963 /nfs/dbraw/zinc/65/09/63/993650963.db2.gz DJEUUEAAZAFWFW-BXUZGUMPSA-N 2 1 243.354 2.398 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC000385292885 993656540 /nfs/dbraw/zinc/65/65/40/993656540.db2.gz GQCBIOTWDFJIKK-LBPRGKRZSA-N 2 1 232.371 2.345 20 0 BEADMP c1[nH+]cn([C@H]2CCCOCC2)c1C1CC[NH2+]CC1 ZINC000386344568 993686325 /nfs/dbraw/zinc/68/63/25/993686325.db2.gz OLFXNHXPHQUFNZ-ZDUSSCGKSA-N 2 1 249.358 2.092 20 0 BEADMP CC[N@H+](C[C@@H](C)OC)C[C@H]([NH3+])CCC(C)(C)C ZINC001577672053 993721697 /nfs/dbraw/zinc/72/16/97/993721697.db2.gz SETSLJDYAWDXOO-CHWSQXEVSA-N 2 1 244.423 2.497 20 0 BEADMP CC[N@@H+](C[C@@H](C)OC)C[C@H]([NH3+])CCC(C)(C)C ZINC001577672053 993721707 /nfs/dbraw/zinc/72/17/07/993721707.db2.gz SETSLJDYAWDXOO-CHWSQXEVSA-N 2 1 244.423 2.497 20 0 BEADMP Cc1ncc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)s1 ZINC000390682727 993798289 /nfs/dbraw/zinc/79/82/89/993798289.db2.gz YHDHUDCYZIJOMM-NSHDSACASA-N 2 1 239.388 2.012 20 0 BEADMP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001621570549 1170164096 /nfs/dbraw/zinc/16/40/96/1170164096.db2.gz XACUCJSLKICMMB-NMFUWQPSSA-N 2 1 236.403 2.495 20 0 BEADMP C1CC[C@@H]2[C@H](C1)CCC[N@H+]2[C@@H]1CCC[NH2+]C1 ZINC000036827154 1170918995 /nfs/dbraw/zinc/91/89/95/1170918995.db2.gz HBTGAYJPEGRVRI-MGPQQGTHSA-N 2 1 222.376 2.393 20 0 BEADMP Cc1cccc(NCc2cccc(C[NH3+])c2)[nH+]1 ZINC000037670410 1170965505 /nfs/dbraw/zinc/96/55/05/1170965505.db2.gz RCDLINSDJXYDFV-UHFFFAOYSA-N 2 1 227.311 2.461 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000050249097 1171785532 /nfs/dbraw/zinc/78/55/32/1171785532.db2.gz UJAUZMFNMPEZBQ-CYBMUJFWSA-N 2 1 241.338 2.015 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2F)CC[N@@H+]1C ZINC000378684321 346807914 /nfs/dbraw/zinc/80/79/14/346807914.db2.gz DHMKHQAICNLNSD-FDYHWXHSSA-N 2 1 228.355 2.339 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2F)CC[N@H+]1C ZINC000378684321 346807915 /nfs/dbraw/zinc/80/79/15/346807915.db2.gz DHMKHQAICNLNSD-FDYHWXHSSA-N 2 1 228.355 2.339 20 0 BEADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CCC1 ZINC000322377798 343977799 /nfs/dbraw/zinc/97/77/99/343977799.db2.gz KZXFWZWUQQDDDX-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP CCc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000161615125 349476993 /nfs/dbraw/zinc/47/69/93/349476993.db2.gz KLZGUIAFNOXADE-NEPJUHHUSA-N 2 1 236.359 2.414 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)c(C)s1 ZINC000050245565 178004224 /nfs/dbraw/zinc/00/42/24/178004224.db2.gz ZPKZAEYQPVVGID-LLVKDONJSA-N 2 1 224.373 2.146 20 0 BEADMP Cc1cc(C)cc(C[NH2+][C@H](C)[C@H](C)[NH3+])c1 ZINC000415012712 398153972 /nfs/dbraw/zinc/15/39/72/398153972.db2.gz UCNQQAFBRVAECK-NWDGAFQWSA-N 2 1 206.333 2.129 20 0 BEADMP Cc1cc(C[NH2+]CCC[NH+](C)C)ccc1F ZINC000050544636 178021460 /nfs/dbraw/zinc/02/14/60/178021460.db2.gz XHYCBDMJBFFBDE-UHFFFAOYSA-N 2 1 224.323 2.175 20 0 BEADMP Cc1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)cs1 ZINC000295623138 178023545 /nfs/dbraw/zinc/02/35/45/178023545.db2.gz FGJDWAXHKQPKOE-SNVBAGLBSA-N 2 1 226.389 2.344 20 0 BEADMP CC[C@@H]1C[C@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)CCO1 ZINC000379794782 398169013 /nfs/dbraw/zinc/16/90/13/398169013.db2.gz CFHZLLANZGWQEZ-MGPQQGTHSA-N 2 1 242.407 2.262 20 0 BEADMP CC[C@@H]1C[C@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)CCO1 ZINC000379794782 398169016 /nfs/dbraw/zinc/16/90/16/398169016.db2.gz CFHZLLANZGWQEZ-MGPQQGTHSA-N 2 1 242.407 2.262 20 0 BEADMP Cc1cc(C[NH2+][C@H](C)CC[NH+](C)C)cs1 ZINC000285911232 178036637 /nfs/dbraw/zinc/03/66/37/178036637.db2.gz NNCQRBXJGZUEDJ-SNVBAGLBSA-N 2 1 226.389 2.486 20 0 BEADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000336233905 178040831 /nfs/dbraw/zinc/04/08/31/178040831.db2.gz YZRJQVRQDDPFOM-LSDHHAIUSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000336233905 178040832 /nfs/dbraw/zinc/04/08/32/178040832.db2.gz YZRJQVRQDDPFOM-LSDHHAIUSA-N 2 1 245.370 2.106 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)c1ccccn1)[C@@H]1CCC[NH2+]C1 ZINC000415096563 398161741 /nfs/dbraw/zinc/16/17/41/398161741.db2.gz BKVBIUDRBNOBNT-FRRDWIJNSA-N 2 1 233.359 2.120 20 0 BEADMP C[C@H]([NH2+][C@H]1CS[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423174061 398164014 /nfs/dbraw/zinc/16/40/14/398164014.db2.gz BDDPBPWMJLPKQE-KXNHARMFSA-N 2 1 228.405 2.001 20 0 BEADMP Cc1cc(F)ccc1C[N@H+](C)C1CC([NH3+])C1 ZINC000336233509 178083787 /nfs/dbraw/zinc/08/37/87/178083787.db2.gz WDSCYJOPRRGRKM-UHFFFAOYSA-N 2 1 222.307 2.056 20 0 BEADMP Cc1cc(F)ccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000228060321 178085315 /nfs/dbraw/zinc/08/53/15/178085315.db2.gz DMRVSFGPYCYWEG-VXGBXAGGSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000126928208 178085476 /nfs/dbraw/zinc/08/54/76/178085476.db2.gz PIQNNGBSKFCRMP-YPMHNXCESA-N 2 1 236.334 2.303 20 0 BEADMP C[N@@H+]1CCC[C@@H](CNc2cc[nH+]cc2Cl)C1 ZINC000086833135 398192232 /nfs/dbraw/zinc/19/22/32/398192232.db2.gz ZILNDPVWSBOIOJ-JTQLQIEISA-N 2 1 239.750 2.489 20 0 BEADMP C[N@H+]1CCC[C@@H](CNc2cc[nH+]cc2Cl)C1 ZINC000086833135 398192237 /nfs/dbraw/zinc/19/22/37/398192237.db2.gz ZILNDPVWSBOIOJ-JTQLQIEISA-N 2 1 239.750 2.489 20 0 BEADMP C[NH+]1CCC(CNc2cc[nH+]cc2Cl)CC1 ZINC000086833133 398192327 /nfs/dbraw/zinc/19/23/27/398192327.db2.gz YTMGJRSIVYXHQB-UHFFFAOYSA-N 2 1 239.750 2.489 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000162780335 538924792 /nfs/dbraw/zinc/92/47/92/538924792.db2.gz UNEONUPVDJZLPO-RYUDHWBXSA-N 2 1 230.421 2.059 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000576362790 365578054 /nfs/dbraw/zinc/57/80/54/365578054.db2.gz UOSBEYXVALMPSV-LXTVHRRPSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1cc(NC[C@H]2CCC[N@H+](C)C2)cc[nH+]1 ZINC000229565553 178168901 /nfs/dbraw/zinc/16/89/01/178168901.db2.gz VEZVFCZTPXXDEP-GFCCVEGCSA-N 2 1 219.332 2.144 20 0 BEADMP CCC(CC)C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000128423929 168352570 /nfs/dbraw/zinc/35/25/70/168352570.db2.gz KBMZFPYRLFLGLF-QWHCGFSZSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1cc(N2CCC[C@H]([NH+](C)C)CC2)nc(C)[nH+]1 ZINC000277264479 538933671 /nfs/dbraw/zinc/93/36/71/538933671.db2.gz XEPOUSUXKOKDKH-ZDUSSCGKSA-N 2 1 248.374 2.014 20 0 BEADMP Cc1cc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)no1 ZINC000282902623 178246676 /nfs/dbraw/zinc/24/66/76/178246676.db2.gz WUQWJJIHBFJGOR-NSHDSACASA-N 2 1 248.330 2.229 20 0 BEADMP Cc1cc([C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)no1 ZINC000337547552 178258163 /nfs/dbraw/zinc/25/81/63/178258163.db2.gz MKOCWPMJYVIFHL-RWMBFGLXSA-N 2 1 249.358 2.260 20 0 BEADMP Cc1cc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)no1 ZINC000337552940 178258693 /nfs/dbraw/zinc/25/86/93/178258693.db2.gz PNPHGQJGMMXWJP-USWWRNFRSA-N 2 1 237.347 2.116 20 0 BEADMP CC[C@@H](C)C[NH2+]CC[N@H+](C)[C@H](C)CC ZINC000245547142 323006645 /nfs/dbraw/zinc/00/66/45/323006645.db2.gz XCQIAPJQSUNJRJ-VXGBXAGGSA-N 2 1 200.370 2.352 20 0 BEADMP CC[C@@H](C)C[NH2+]CC[N@@H+](C)[C@H](C)CC ZINC000245547142 323006646 /nfs/dbraw/zinc/00/66/46/323006646.db2.gz XCQIAPJQSUNJRJ-VXGBXAGGSA-N 2 1 200.370 2.352 20 0 BEADMP C1CC2(C1)CCC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000335065011 136232565 /nfs/dbraw/zinc/23/25/65/136232565.db2.gz ZTNKALGDUSFPRY-VXGBXAGGSA-N 2 1 208.349 2.051 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2CCC[C@@H]2C1 ZINC000162235817 349615797 /nfs/dbraw/zinc/61/57/97/349615797.db2.gz XUPHFIQYOBGQSB-MJBXVCDLSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000162235817 349615799 /nfs/dbraw/zinc/61/57/99/349615799.db2.gz XUPHFIQYOBGQSB-MJBXVCDLSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000162235817 349615801 /nfs/dbraw/zinc/61/58/01/349615801.db2.gz XUPHFIQYOBGQSB-MJBXVCDLSA-N 2 1 222.376 2.203 20 0 BEADMP CCC(CC)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037485331 168388467 /nfs/dbraw/zinc/38/84/67/168388467.db2.gz GDVVEHKMZJHDQH-NSHDSACASA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@H](C)C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000040622289 538971878 /nfs/dbraw/zinc/97/18/78/538971878.db2.gz DVLASFIIZGGXPS-QWHCGFSZSA-N 2 1 212.381 2.352 20 0 BEADMP CCC1CC([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000309715666 342799299 /nfs/dbraw/zinc/79/92/99/342799299.db2.gz SRRNNHGWVIGJRX-ROKHWSDSSA-N 2 1 224.392 2.495 20 0 BEADMP CCC(CC)[NH2+][C@H](C)C[NH+](CC)CC ZINC000045690690 168393049 /nfs/dbraw/zinc/39/30/49/168393049.db2.gz VFPKAHFRKLURJW-LLVKDONJSA-N 2 1 200.370 2.495 20 0 BEADMP CC(C)[NH+](CCC[NH2+]C1CSC1)C(C)C ZINC000380361982 538989733 /nfs/dbraw/zinc/98/97/33/538989733.db2.gz YXAZOBFRZFBDPT-UHFFFAOYSA-N 2 1 230.421 2.200 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CCC(F)(F)C2)CC1 ZINC000381655642 539005927 /nfs/dbraw/zinc/00/59/27/539005927.db2.gz SWYGQQRGFIHJCP-NSHDSACASA-N 2 1 232.318 2.248 20 0 BEADMP FC1(F)CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000383928835 539012357 /nfs/dbraw/zinc/01/23/57/539012357.db2.gz BHCOFLJHKWKGTD-SDDRHHMPSA-N 2 1 244.329 2.391 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC2(C)C)C1 ZINC000389388653 539016120 /nfs/dbraw/zinc/01/61/20/539016120.db2.gz UOQFGUXMWOHZBJ-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1[nH+]cn(Cc2cccnc2C)c1C ZINC000389639068 539016504 /nfs/dbraw/zinc/01/65/04/539016504.db2.gz PPOSCHYRGLONKO-UHFFFAOYSA-N 2 1 201.273 2.252 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)CC[N@H+]1C ZINC000624200544 342847317 /nfs/dbraw/zinc/84/73/17/342847317.db2.gz OCRAOWRKTNUFLK-NIFZNCRKSA-N 2 1 236.403 2.495 20 0 BEADMP Cc1ccsc1C[NH2+]CCc1c[nH+]cn1C ZINC000401737945 342926315 /nfs/dbraw/zinc/92/63/15/342926315.db2.gz DHXOXIWFZCYHFN-UHFFFAOYSA-N 2 1 235.356 2.122 20 0 BEADMP Fc1cccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1F ZINC000560944320 398337586 /nfs/dbraw/zinc/33/75/86/398337586.db2.gz ZSAUCJXRPJVNPW-JTQLQIEISA-N 2 1 240.297 2.054 20 0 BEADMP CCC(CC)[NH2+]CC[N@H+](CC)C(C)C ZINC000053376316 346888165 /nfs/dbraw/zinc/88/81/65/346888165.db2.gz LCDMJPYDUDFNTP-UHFFFAOYSA-N 2 1 200.370 2.495 20 0 BEADMP CCC(CC)[NH2+]CC[N@@H+](CC)C(C)C ZINC000053376316 346888166 /nfs/dbraw/zinc/88/81/66/346888166.db2.gz LCDMJPYDUDFNTP-UHFFFAOYSA-N 2 1 200.370 2.495 20 0 BEADMP C[N@@H+](Cc1coc2ccccc12)C1CC([NH3+])C1 ZINC000335479135 398341515 /nfs/dbraw/zinc/34/15/15/398341515.db2.gz RYGDIZBTJMMTBK-UHFFFAOYSA-N 2 1 230.311 2.354 20 0 BEADMP CC[C@@H](C[NH2+]CC(C)(C)COC)[NH+]1CCCC1 ZINC000494325064 529489825 /nfs/dbraw/zinc/48/98/25/529489825.db2.gz BJKNCTGQCNKSAM-ZDUSSCGKSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000351856983 136258366 /nfs/dbraw/zinc/25/83/66/136258366.db2.gz AHWCYIIWZQIXEX-ITDIGPHOSA-N 2 1 248.345 2.482 20 0 BEADMP C[C@@H](F)CC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000351875398 136261118 /nfs/dbraw/zinc/26/11/18/136261118.db2.gz LPONVKOGHCQZDG-MNOVXSKESA-N 2 1 225.311 2.337 20 0 BEADMP C[C@@H]1OCC[C@@]1(C)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000235442233 343037582 /nfs/dbraw/zinc/03/75/82/343037582.db2.gz HOUFCWFYDAAVRW-MELADBBJSA-N 2 1 240.391 2.018 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccncc1 ZINC000424377405 529656077 /nfs/dbraw/zinc/65/60/77/529656077.db2.gz RDZQXDOZTGJETJ-HZSPNIEDSA-N 2 1 233.359 2.392 20 0 BEADMP CC(C)c1[nH+]ccn1CC[C@H]1CC[NH2+]C1 ZINC000212367462 343073538 /nfs/dbraw/zinc/07/35/38/343073538.db2.gz RNQOMZZYXLAAOF-LLVKDONJSA-N 2 1 207.321 2.006 20 0 BEADMP Cc1cnc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000235927286 343067442 /nfs/dbraw/zinc/06/74/42/343067442.db2.gz ZFBWKDPVPLQTET-MNOVXSKESA-N 2 1 239.388 2.059 20 0 BEADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccncc1 ZINC000562956172 323035044 /nfs/dbraw/zinc/03/50/44/323035044.db2.gz HZGBHHVMLRFQLG-GFCCVEGCSA-N 2 1 221.348 2.120 20 0 BEADMP CCOc1cccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000131530765 343183789 /nfs/dbraw/zinc/18/37/89/343183789.db2.gz LDDBVEJWLULUKB-JSGCOSHPSA-N 2 1 248.370 2.397 20 0 BEADMP CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000131473783 343183999 /nfs/dbraw/zinc/18/39/99/343183999.db2.gz IYTBJFSIMGWWNY-JSGCOSHPSA-N 2 1 248.370 2.397 20 0 BEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000124494958 343162567 /nfs/dbraw/zinc/16/25/67/343162567.db2.gz PXBUIXSKYSTARG-BLLLJJGKSA-N 2 1 244.382 2.487 20 0 BEADMP Cc1ccc(CNC[C@@H]2CC[N@H+](C(C)C)C2)nc1 ZINC000127013245 343172029 /nfs/dbraw/zinc/17/20/29/343172029.db2.gz MZOLHOGTSBSFDR-AWEZNQCLSA-N 2 1 247.386 2.210 20 0 BEADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)nc1 ZINC000127013245 343172031 /nfs/dbraw/zinc/17/20/31/343172031.db2.gz MZOLHOGTSBSFDR-AWEZNQCLSA-N 2 1 247.386 2.210 20 0 BEADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)nc1 ZINC000127013245 343172034 /nfs/dbraw/zinc/17/20/34/343172034.db2.gz MZOLHOGTSBSFDR-AWEZNQCLSA-N 2 1 247.386 2.210 20 0 BEADMP CC[N@@H+]1CCC[C@H]1C[NH2+]CCCC(C)C ZINC000165190000 343198735 /nfs/dbraw/zinc/19/87/35/343198735.db2.gz VKUISFFOLAKOKD-ZDUSSCGKSA-N 2 1 212.381 2.497 20 0 BEADMP CC[N@H+]1CCC[C@H]1C[NH2+]CCCC(C)C ZINC000165190000 343198736 /nfs/dbraw/zinc/19/87/36/343198736.db2.gz VKUISFFOLAKOKD-ZDUSSCGKSA-N 2 1 212.381 2.497 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000634687521 343241233 /nfs/dbraw/zinc/24/12/33/343241233.db2.gz OGXOUMMLBWIDLU-GFCCVEGCSA-N 2 1 241.338 2.015 20 0 BEADMP CCCc1csc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000569724092 323038996 /nfs/dbraw/zinc/03/89/96/323038996.db2.gz PRLMRUZAIKQJQH-ZJUUUORDSA-N 2 1 241.404 2.311 20 0 BEADMP CC(C)=CC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000037186274 187251256 /nfs/dbraw/zinc/25/12/56/187251256.db2.gz HOGMIMPWFWJIHC-UHFFFAOYSA-N 2 1 210.365 2.415 20 0 BEADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000335600185 136294986 /nfs/dbraw/zinc/29/49/86/136294986.db2.gz VRWLPBYAHBNPIP-SMDDNHRTSA-N 2 1 246.354 2.016 20 0 BEADMP Cc1ccoc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000335608972 136298553 /nfs/dbraw/zinc/29/85/53/136298553.db2.gz FDABYPHFOOCINJ-PWSUYJOCSA-N 2 1 222.332 2.066 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348869824 136302702 /nfs/dbraw/zinc/30/27/02/136302702.db2.gz PLSOTKJEAXKTNY-LSGALXMHSA-N 2 1 222.376 2.199 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348869824 136302703 /nfs/dbraw/zinc/30/27/03/136302703.db2.gz PLSOTKJEAXKTNY-LSGALXMHSA-N 2 1 222.376 2.199 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348869824 136302704 /nfs/dbraw/zinc/30/27/04/136302704.db2.gz PLSOTKJEAXKTNY-LSGALXMHSA-N 2 1 222.376 2.199 20 0 BEADMP Cc1ccccc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166214822 136309518 /nfs/dbraw/zinc/30/95/18/136309518.db2.gz HXBYFTYRGJLPQR-OCCSQVGLSA-N 2 1 218.344 2.164 20 0 BEADMP Fc1cccc(CCC[N@@H+]2CCC[NH2+]CC2)c1 ZINC000041271286 343418323 /nfs/dbraw/zinc/41/83/23/343418323.db2.gz QQTUDBGZXYSFHT-UHFFFAOYSA-N 2 1 236.334 2.054 20 0 BEADMP Fc1cccc(CCC[N@H+]2CCC[NH2+]CC2)c1 ZINC000041271286 343418327 /nfs/dbraw/zinc/41/83/27/343418327.db2.gz QQTUDBGZXYSFHT-UHFFFAOYSA-N 2 1 236.334 2.054 20 0 BEADMP C[N@@H+](CCC[NH+]1CCCC1)CCc1ccncc1 ZINC000041300041 343418555 /nfs/dbraw/zinc/41/85/55/343418555.db2.gz LRBUFTAQHLWWKH-UHFFFAOYSA-N 2 1 247.386 2.042 20 0 BEADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1C[C@@H]1C ZINC000349406390 136344761 /nfs/dbraw/zinc/34/47/61/136344761.db2.gz LGHVPEGIVNULGG-KBPBESRZSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H]1C[C@@H]1C ZINC000349344536 136342535 /nfs/dbraw/zinc/34/25/35/136342535.db2.gz HMEYGUMVPNKDNJ-STQMWFEESA-N 2 1 212.381 2.306 20 0 BEADMP CC1=C[C@H](C)C[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000335891841 136358815 /nfs/dbraw/zinc/35/88/15/136358815.db2.gz AYVKIMNBQWTOCX-GXTWGEPZSA-N 2 1 222.376 2.369 20 0 BEADMP CC1=C[C@H](C)C[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000335891841 136358816 /nfs/dbraw/zinc/35/88/16/136358816.db2.gz AYVKIMNBQWTOCX-GXTWGEPZSA-N 2 1 222.376 2.369 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)[C@H]2C)CC1 ZINC000308932103 346942257 /nfs/dbraw/zinc/94/22/57/346942257.db2.gz ROMRLWUKUUNXHC-NQBHXWOUSA-N 2 1 210.365 2.105 20 0 BEADMP CSC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000602922604 349811840 /nfs/dbraw/zinc/81/18/40/349811840.db2.gz KTJGAYPEGHPHIV-LBPRGKRZSA-N 2 1 242.432 2.298 20 0 BEADMP Cc1cc[nH+]c(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000227322864 343510167 /nfs/dbraw/zinc/51/01/67/343510167.db2.gz UIFIFYRFPFHOTL-NWDGAFQWSA-N 2 1 219.332 2.285 20 0 BEADMP Cc1cc[nH+]c(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000227322864 343510169 /nfs/dbraw/zinc/51/01/69/343510169.db2.gz UIFIFYRFPFHOTL-NWDGAFQWSA-N 2 1 219.332 2.285 20 0 BEADMP CC[C@H]1CC[C@@H]1[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000379972613 365768759 /nfs/dbraw/zinc/76/87/59/365768759.db2.gz BXABFRUWHKBKTL-AVGNSLFASA-N 2 1 212.381 2.493 20 0 BEADMP CC[C@H]1CC[C@@H]1[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000379972613 365768763 /nfs/dbraw/zinc/76/87/63/365768763.db2.gz BXABFRUWHKBKTL-AVGNSLFASA-N 2 1 212.381 2.493 20 0 BEADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(F)cc1 ZINC000049551698 343601783 /nfs/dbraw/zinc/60/17/83/343601783.db2.gz DLPMBPVFQASMMS-NSHDSACASA-N 2 1 224.323 2.256 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)c1c[nH+]ccc1N ZINC000580565121 365781304 /nfs/dbraw/zinc/78/13/04/365781304.db2.gz VVTMJNOISYOQEL-GARJFASQSA-N 2 1 237.322 2.425 20 0 BEADMP CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000086874050 343631412 /nfs/dbraw/zinc/63/14/12/343631412.db2.gz NOOYOACKWXCFOZ-NEPJUHHUSA-N 2 1 210.365 2.297 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348080108 537811063 /nfs/dbraw/zinc/81/10/63/537811063.db2.gz GRYAQURJFZSXFT-KBPBESRZSA-N 2 1 233.359 2.360 20 0 BEADMP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000090175198 343749969 /nfs/dbraw/zinc/74/99/69/343749969.db2.gz ONGGRQRKKHLWRI-LOWDOPEQSA-N 2 1 210.365 2.105 20 0 BEADMP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000090175198 343749970 /nfs/dbraw/zinc/74/99/70/343749970.db2.gz ONGGRQRKKHLWRI-LOWDOPEQSA-N 2 1 210.365 2.105 20 0 BEADMP CCc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000044527782 343781572 /nfs/dbraw/zinc/78/15/72/343781572.db2.gz PBCQXKULBZXKSP-OAHLLOKOSA-N 2 1 232.371 2.420 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+]CC1(C)CCC1 ZINC000336715494 537825230 /nfs/dbraw/zinc/82/52/30/537825230.db2.gz WSXUUKUBCFNJRJ-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]CC1(C)CCC1 ZINC000336715494 537825243 /nfs/dbraw/zinc/82/52/43/537825243.db2.gz WSXUUKUBCFNJRJ-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP Fc1cccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000031994594 343886938 /nfs/dbraw/zinc/88/69/38/343886938.db2.gz UBTWKXLSWGPOTO-CQSZACIVSA-N 2 1 234.318 2.011 20 0 BEADMP Fc1cccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000031994594 343886940 /nfs/dbraw/zinc/88/69/40/343886940.db2.gz UBTWKXLSWGPOTO-CQSZACIVSA-N 2 1 234.318 2.011 20 0 BEADMP CCSCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000159072873 347009368 /nfs/dbraw/zinc/00/93/68/347009368.db2.gz IVAVKVLVWCGJDV-OLZOCXBDSA-N 2 1 242.432 2.204 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CCOc2ccccc21 ZINC000162078623 487535439 /nfs/dbraw/zinc/53/54/39/487535439.db2.gz ANMMEJOYYLQXDX-CYBMUJFWSA-N 2 1 248.370 2.094 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CC(C)(C)C1 ZINC000336749324 537840215 /nfs/dbraw/zinc/84/02/15/537840215.db2.gz DEUHAWJSSUOJAN-NSHDSACASA-N 2 1 212.381 2.495 20 0 BEADMP Cc1[nH+]ccn1CCC[NH+](C1CC1)C1CC1 ZINC000625841244 344095018 /nfs/dbraw/zinc/09/50/18/344095018.db2.gz FUMXCPXXIHSJIA-UHFFFAOYSA-N 2 1 219.332 2.208 20 0 BEADMP C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1c[nH+]ccc1N ZINC000622043711 344228030 /nfs/dbraw/zinc/22/80/30/344228030.db2.gz ILPIZIVILZUQIH-RKDXNWHRSA-N 2 1 241.285 2.190 20 0 BEADMP CCCCOCCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000132021437 344267900 /nfs/dbraw/zinc/26/79/00/344267900.db2.gz HVDWNJUTYINRMG-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP CCCCOCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000132021208 344267953 /nfs/dbraw/zinc/26/79/53/344267953.db2.gz HVDWNJUTYINRMG-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)C1CCC1 ZINC000336762908 537843441 /nfs/dbraw/zinc/84/34/41/537843441.db2.gz OHRHTDPGDUTXQP-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCC[NH3+] ZINC000133205950 344315226 /nfs/dbraw/zinc/31/52/26/344315226.db2.gz MKRVAEDYEGLLSI-JTQLQIEISA-N 2 1 210.296 2.167 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CCCC1 ZINC000132678012 344306184 /nfs/dbraw/zinc/30/61/84/344306184.db2.gz KRLJCZIYNXKGSH-AAEUAGOBSA-N 2 1 210.365 2.106 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000336775441 537847358 /nfs/dbraw/zinc/84/73/58/537847358.db2.gz ZARUZAPKYKPJOW-UONOGXRCSA-N 2 1 220.360 2.027 20 0 BEADMP Cc1nc(C)c([C@H](C)[NH2+]CC(C)(C)[NH3+])s1 ZINC000049538762 344651839 /nfs/dbraw/zinc/65/18/39/344651839.db2.gz USQDIJWKTRGSOU-ZETCQYMHSA-N 2 1 227.377 2.148 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1sc(C)nc1C ZINC000049538807 344651859 /nfs/dbraw/zinc/65/18/59/344651859.db2.gz UIFOANBBALSIHK-XCBNKYQSSA-N 2 1 227.377 2.148 20 0 BEADMP CC(C)(N)C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000045089778 187292664 /nfs/dbraw/zinc/29/26/64/187292664.db2.gz KDWRZFNFVFKUDU-LBPRGKRZSA-N 2 1 210.365 2.378 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@]2(C)CCCS2)C1 ZINC000628174020 344894362 /nfs/dbraw/zinc/89/43/62/344894362.db2.gz UJQKNQIQNIRSLT-OLZOCXBDSA-N 2 1 242.432 2.156 20 0 BEADMP CCOCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339076107 537873236 /nfs/dbraw/zinc/87/32/36/537873236.db2.gz SFEZTFSMGHFBTK-KGLIPLIRSA-N 2 1 240.391 2.020 20 0 BEADMP COCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153792646 344974451 /nfs/dbraw/zinc/97/44/51/344974451.db2.gz FEYZMMBUFRSHCH-CHWSQXEVSA-N 2 1 240.391 2.018 20 0 BEADMP COCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000153792646 344974454 /nfs/dbraw/zinc/97/44/54/344974454.db2.gz FEYZMMBUFRSHCH-CHWSQXEVSA-N 2 1 240.391 2.018 20 0 BEADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(C)nc2)C1 ZINC000153979016 345004165 /nfs/dbraw/zinc/00/41/65/345004165.db2.gz OMBAKVXEJOHXBD-OAHLLOKOSA-N 2 1 247.386 2.164 20 0 BEADMP CO[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000154907379 345056861 /nfs/dbraw/zinc/05/68/61/345056861.db2.gz QPQOCXBSLAJZDJ-XQQFMLRXSA-N 2 1 242.407 2.120 20 0 BEADMP FC(F)(F)CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000156094490 345122052 /nfs/dbraw/zinc/12/20/52/345122052.db2.gz RZFHHEKWLBLFOH-UWVGGRQHSA-N 2 1 236.281 2.155 20 0 BEADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000156585994 345179077 /nfs/dbraw/zinc/17/90/77/345179077.db2.gz RNTPZQVZSQFYDG-WXHSDQCUSA-N 2 1 210.365 2.247 20 0 BEADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000156585994 345179080 /nfs/dbraw/zinc/17/90/80/345179080.db2.gz RNTPZQVZSQFYDG-WXHSDQCUSA-N 2 1 210.365 2.247 20 0 BEADMP CCC(C)(C)CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000635024493 345225235 /nfs/dbraw/zinc/22/52/35/345225235.db2.gz YZGRLTSNRDXVSS-NWDGAFQWSA-N 2 1 212.381 2.400 20 0 BEADMP C[C@@H](Cc1ccoc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000449068393 201801596 /nfs/dbraw/zinc/80/15/96/201801596.db2.gz BGYWOJPTNFGEKB-LBPRGKRZSA-N 2 1 248.370 2.427 20 0 BEADMP CC1(C[N@H+]2CCCCC[C@@H](N)C2)CCC1 ZINC000634997092 345193989 /nfs/dbraw/zinc/19/39/89/345193989.db2.gz CSQPEWLCQGOKJI-GFCCVEGCSA-N 2 1 210.365 2.380 20 0 BEADMP CC1(CN2CCCCC[C@@H]([NH3+])C2)CCC1 ZINC000634997092 345193990 /nfs/dbraw/zinc/19/39/90/345193990.db2.gz CSQPEWLCQGOKJI-GFCCVEGCSA-N 2 1 210.365 2.380 20 0 BEADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(CCF)CC1 ZINC000634999477 345200588 /nfs/dbraw/zinc/20/05/88/345200588.db2.gz VEUGGOFDBALAPN-ZDUSSCGKSA-N 2 1 230.371 2.431 20 0 BEADMP C[C@@H](CC1CCC1)[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000635001786 345201314 /nfs/dbraw/zinc/20/13/14/345201314.db2.gz FYULFGKGFONEHK-GVXVVHGQSA-N 2 1 210.365 2.153 20 0 BEADMP CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000634999850 345201355 /nfs/dbraw/zinc/20/13/55/345201355.db2.gz AQURBSVDWVUSQA-TZMCWYRMSA-N 2 1 248.370 2.112 20 0 BEADMP Cc1scc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1C ZINC000635023079 345221909 /nfs/dbraw/zinc/22/19/09/345221909.db2.gz RMOMIWCSEQCUQT-RYUDHWBXSA-N 2 1 224.373 2.334 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C ZINC000380276437 345265396 /nfs/dbraw/zinc/26/53/96/345265396.db2.gz XUKGIPBJGZGTAK-RWMBFGLXSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C ZINC000380276437 345265399 /nfs/dbraw/zinc/26/53/99/345265399.db2.gz XUKGIPBJGZGTAK-RWMBFGLXSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)CCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000132293019 345325390 /nfs/dbraw/zinc/32/53/90/345325390.db2.gz VEYBWBHZRZJHAJ-STQMWFEESA-N 2 1 212.381 2.352 20 0 BEADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)C1CC1 ZINC000378801424 345576041 /nfs/dbraw/zinc/57/60/41/345576041.db2.gz ULJYWBSNIIWPBA-RFQIPJPRSA-N 2 1 222.376 2.105 20 0 BEADMP CC(C)[C@H]([NH2+]CCC[NH+](C)C)c1cccnc1 ZINC000091262500 345590278 /nfs/dbraw/zinc/59/02/78/345590278.db2.gz QXVSEYRWMRPJRK-AWEZNQCLSA-N 2 1 235.375 2.320 20 0 BEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2occc2C)C1 ZINC000093770541 345664537 /nfs/dbraw/zinc/66/45/37/345664537.db2.gz WLJFHQUYAYJCCG-ZDUSSCGKSA-N 2 1 236.359 2.362 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2occc2C)C1 ZINC000093770541 345664541 /nfs/dbraw/zinc/66/45/41/345664541.db2.gz WLJFHQUYAYJCCG-ZDUSSCGKSA-N 2 1 236.359 2.362 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2occc2C)C1 ZINC000093770541 345664544 /nfs/dbraw/zinc/66/45/44/345664544.db2.gz WLJFHQUYAYJCCG-ZDUSSCGKSA-N 2 1 236.359 2.362 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2occc2C)C1 ZINC000093770541 345664547 /nfs/dbraw/zinc/66/45/47/345664547.db2.gz WLJFHQUYAYJCCG-ZDUSSCGKSA-N 2 1 236.359 2.362 20 0 BEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2occc2C)C1 ZINC000093770542 345664619 /nfs/dbraw/zinc/66/46/19/345664619.db2.gz WLJFHQUYAYJCCG-CYBMUJFWSA-N 2 1 236.359 2.362 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2occc2C)C1 ZINC000093770542 345664621 /nfs/dbraw/zinc/66/46/21/345664621.db2.gz WLJFHQUYAYJCCG-CYBMUJFWSA-N 2 1 236.359 2.362 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2occc2C)C1 ZINC000093770542 345664624 /nfs/dbraw/zinc/66/46/24/345664624.db2.gz WLJFHQUYAYJCCG-CYBMUJFWSA-N 2 1 236.359 2.362 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2occc2C)C1 ZINC000093770542 345664626 /nfs/dbraw/zinc/66/46/26/345664626.db2.gz WLJFHQUYAYJCCG-CYBMUJFWSA-N 2 1 236.359 2.362 20 0 BEADMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])CC)cc1 ZINC000231188353 345752000 /nfs/dbraw/zinc/75/20/00/345752000.db2.gz HYIOFUWRKSUPLL-YPMHNXCESA-N 2 1 236.359 2.473 20 0 BEADMP CC(C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000147498143 345710972 /nfs/dbraw/zinc/71/09/72/345710972.db2.gz RQSVWYSSWCQULD-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP c1ccc(C2([NH2+]C3CC[NH2+]CC3)CC2)cc1 ZINC000168569284 345722839 /nfs/dbraw/zinc/72/28/39/345722839.db2.gz XYJDFNWBDKWPQP-UHFFFAOYSA-N 2 1 216.328 2.017 20 0 BEADMP CC[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000181132612 345929058 /nfs/dbraw/zinc/92/90/58/345929058.db2.gz DDKNNRVTFYQVCL-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H](c1ccc(F)cc1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453691 345965640 /nfs/dbraw/zinc/96/56/40/345965640.db2.gz RNZFBYADBQUSHV-WXHSDQCUSA-N 2 1 234.318 2.038 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000449333016 201864228 /nfs/dbraw/zinc/86/42/28/201864228.db2.gz FSUPILAANZHNRM-SRVKXCTJSA-N 2 1 230.421 2.056 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000449333016 201864231 /nfs/dbraw/zinc/86/42/31/201864231.db2.gz FSUPILAANZHNRM-SRVKXCTJSA-N 2 1 230.421 2.056 20 0 BEADMP Cc1ncc(C[NH2+]CCCCn2cc[nH+]c2C)o1 ZINC000628218780 345947878 /nfs/dbraw/zinc/94/78/78/345947878.db2.gz QAWGECNQCOHEHF-UHFFFAOYSA-N 2 1 248.330 2.058 20 0 BEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccnc2ccccc12 ZINC000577079241 365808113 /nfs/dbraw/zinc/80/81/13/365808113.db2.gz IVAAPRNUIIXZHS-MNOVXSKESA-N 2 1 229.327 2.060 20 0 BEADMP CC[C@@H](C)C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000051918986 346207681 /nfs/dbraw/zinc/20/76/81/346207681.db2.gz IPCIKTZFFFEEJE-OLZOCXBDSA-N 2 1 212.381 2.354 20 0 BEADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000669378417 537966893 /nfs/dbraw/zinc/96/68/93/537966893.db2.gz DOEIRAGADRROJI-OLZOCXBDSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000669378419 537966246 /nfs/dbraw/zinc/96/62/46/537966246.db2.gz DOEIRAGADRROJI-STQMWFEESA-N 2 1 210.365 2.251 20 0 BEADMP Cc1cccc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)c1 ZINC000051890078 179067609 /nfs/dbraw/zinc/06/76/09/179067609.db2.gz GCBMHOKMXYPVIX-AWEZNQCLSA-N 2 1 218.344 2.036 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000107935070 179081517 /nfs/dbraw/zinc/08/15/17/179081517.db2.gz BPSLYPCHBVNWEJ-OCCSQVGLSA-N 2 1 218.344 2.164 20 0 BEADMP CC[C@H]1CCC[C@@H](C[N@@H+](C)CCC[NH3+])C1 ZINC000394504802 346423559 /nfs/dbraw/zinc/42/35/59/346423559.db2.gz FCASSFUWLJELPC-QWHCGFSZSA-N 2 1 212.381 2.483 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@H](C[NH3+])C2)c1C ZINC000050245535 179081951 /nfs/dbraw/zinc/08/19/51/179081951.db2.gz HAHXYLPZNSHCMZ-CYBMUJFWSA-N 2 1 218.344 2.084 20 0 BEADMP Cc1cccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1F ZINC000295395127 179090981 /nfs/dbraw/zinc/09/09/81/179090981.db2.gz LQKOYCGRFNZCPT-UHFFFAOYSA-N 2 1 248.345 2.486 20 0 BEADMP Cc1cccc(C[NH2+]C2CC[NH+](C)CC2)c1C ZINC000048436596 179091149 /nfs/dbraw/zinc/09/11/49/179091149.db2.gz HCFMRIQDUUNQOX-UHFFFAOYSA-N 2 1 232.371 2.487 20 0 BEADMP CCC(F)(F)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000641799430 362748611 /nfs/dbraw/zinc/74/86/11/362748611.db2.gz MVAGHGAEMFWUON-NSHDSACASA-N 2 1 246.345 2.496 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)C2)CC[N@@H+]1C ZINC000334397017 346486112 /nfs/dbraw/zinc/48/61/12/346486112.db2.gz CEZLWGMRQSARFH-MNOVXSKESA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)C2)CC[N@H+]1C ZINC000334397017 346486117 /nfs/dbraw/zinc/48/61/17/346486117.db2.gz CEZLWGMRQSARFH-MNOVXSKESA-N 2 1 210.365 2.247 20 0 BEADMP C[C@H]([NH3+])C[N@@H+]1CCc2ccccc2C1(C)C ZINC000641800917 362752967 /nfs/dbraw/zinc/75/29/67/362752967.db2.gz IOKRKMHDXRLBRN-NSHDSACASA-N 2 1 218.344 2.127 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CCc2ccccc2C1(C)C ZINC000641800917 362752972 /nfs/dbraw/zinc/75/29/72/362752972.db2.gz IOKRKMHDXRLBRN-NSHDSACASA-N 2 1 218.344 2.127 20 0 BEADMP C[C@@H](CCC1CC1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000186330241 346501750 /nfs/dbraw/zinc/50/17/50/346501750.db2.gz WYEBNRITZBTHBZ-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])c1 ZINC000380055316 365824197 /nfs/dbraw/zinc/82/41/97/365824197.db2.gz YAWDZARAVJPXAA-LLVKDONJSA-N 2 1 206.333 2.383 20 0 BEADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000641809363 362767563 /nfs/dbraw/zinc/76/75/63/362767563.db2.gz WQSMRCGGTSETNN-GHMZBOCLSA-N 2 1 240.297 2.180 20 0 BEADMP Cc1cccc(N2CCC[C@@H]([NH+](C)C)CC2)[nH+]1 ZINC000276988182 179122631 /nfs/dbraw/zinc/12/26/31/179122631.db2.gz GJRFXMACLZLRKO-CYBMUJFWSA-N 2 1 233.359 2.311 20 0 BEADMP COC[C@H](C)C[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000187614099 346590447 /nfs/dbraw/zinc/59/04/47/346590447.db2.gz BKIJOQUXZWJXCY-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP Cc1cccc(N[C@@H](C)CC[NH+](C)C)[nH+]1 ZINC000049558647 179153048 /nfs/dbraw/zinc/15/30/48/179153048.db2.gz WLNMLGDRXLZMBD-NSHDSACASA-N 2 1 207.321 2.142 20 0 BEADMP Cc1cccc(OCC[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000163194604 179165996 /nfs/dbraw/zinc/16/59/96/179165996.db2.gz IWDJZXHEHHTUFB-ZIAGYGMSSA-N 2 1 248.370 2.043 20 0 BEADMP Cc1cccc(OCC[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000042896877 179168439 /nfs/dbraw/zinc/16/84/39/179168439.db2.gz VMLPKQNOTQOUAZ-HIFRSBDPSA-N 2 1 248.370 2.043 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)s1 ZINC000622005667 370657076 /nfs/dbraw/zinc/65/70/76/370657076.db2.gz JIPWFJWHIGUQTG-DGCLKSJQSA-N 2 1 236.384 2.370 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)s1 ZINC000622005667 370657079 /nfs/dbraw/zinc/65/70/79/370657079.db2.gz JIPWFJWHIGUQTG-DGCLKSJQSA-N 2 1 236.384 2.370 20 0 BEADMP CC[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)C1CC1 ZINC000310041309 347223179 /nfs/dbraw/zinc/22/31/79/347223179.db2.gz YMFXFPJUGDICHE-WDEREUQCSA-N 2 1 219.332 2.045 20 0 BEADMP Cc1cccc([C@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000251201748 179194729 /nfs/dbraw/zinc/19/47/29/179194729.db2.gz UQMWVBRNPKQUTF-STQMWFEESA-N 2 1 218.344 2.337 20 0 BEADMP C[C@]1(C[NH3+])CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000310413511 347281306 /nfs/dbraw/zinc/28/13/06/347281306.db2.gz XITDHPRILIATHH-GTBONMDNSA-N 2 1 230.355 2.371 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CC2CCC1CC2 ZINC000581251723 347346621 /nfs/dbraw/zinc/34/66/21/347346621.db2.gz IJLVVEMGPPXWJE-UWMJVVDFSA-N 2 1 236.403 2.400 20 0 BEADMP Cc1ccccc1CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000358290461 179267054 /nfs/dbraw/zinc/26/70/54/179267054.db2.gz RLJLOZDBQALZOY-GDBMZVCRSA-N 2 1 246.398 2.467 20 0 BEADMP Cc1ccccc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163438015 179277055 /nfs/dbraw/zinc/27/70/55/179277055.db2.gz DVWDWYGCPMUCEO-DZGCQCFKSA-N 2 1 232.371 2.412 20 0 BEADMP CC[N@@H+](CCSC)CC[C@H]1CCC[NH+]1C ZINC000592201468 347753857 /nfs/dbraw/zinc/75/38/57/347753857.db2.gz HBOXPSGLBRMVGX-GFCCVEGCSA-N 2 1 230.421 2.156 20 0 BEADMP CC[NH+](CCSC)CC[C@H]1CCC[N@@H+]1C ZINC000592201468 347753861 /nfs/dbraw/zinc/75/38/61/347753861.db2.gz HBOXPSGLBRMVGX-GFCCVEGCSA-N 2 1 230.421 2.156 20 0 BEADMP CC[NH+](CCSC)CC[C@H]1CCC[N@H+]1C ZINC000592201468 347753864 /nfs/dbraw/zinc/75/38/64/347753864.db2.gz HBOXPSGLBRMVGX-GFCCVEGCSA-N 2 1 230.421 2.156 20 0 BEADMP CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@H]2CC[NH2+]C2)C1 ZINC000592476774 347791460 /nfs/dbraw/zinc/79/14/60/347791460.db2.gz YQOSOLKYZUKUQU-RWMBFGLXSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(F)c1 ZINC000401792057 347902629 /nfs/dbraw/zinc/90/26/29/347902629.db2.gz XCXHTVAVBVUAGN-LLVKDONJSA-N 2 1 247.317 2.453 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2noc3ccccc32)C1 ZINC000577388589 365943316 /nfs/dbraw/zinc/94/33/16/365943316.db2.gz LLSMCRQPISAVTH-GHMZBOCLSA-N 2 1 245.326 2.187 20 0 BEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000577382952 365940603 /nfs/dbraw/zinc/94/06/03/365940603.db2.gz FKRUGACPVLZSQY-NSHDSACASA-N 2 1 224.348 2.492 20 0 BEADMP CCOc1cccc(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000577397809 365945803 /nfs/dbraw/zinc/94/58/03/365945803.db2.gz GCZCJAZONINYSC-UHFFFAOYSA-N 2 1 248.370 2.271 20 0 BEADMP CCc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])s1 ZINC000308534181 323175192 /nfs/dbraw/zinc/17/51/92/323175192.db2.gz LUQOKQDCUQPPMG-IUCAKERBSA-N 2 1 212.362 2.136 20 0 BEADMP [NH3+]CCC[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000202728502 348043943 /nfs/dbraw/zinc/04/39/43/348043943.db2.gz JWZCYSNNROAHDN-HNNXBMFYSA-N 2 1 232.371 2.432 20 0 BEADMP CSCC1(CC[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000594962047 348151418 /nfs/dbraw/zinc/15/14/18/348151418.db2.gz ACHLTVPNLRUPMW-UHFFFAOYSA-N 2 1 242.432 2.204 20 0 BEADMP Cc1cncc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000397310596 362874923 /nfs/dbraw/zinc/87/49/23/362874923.db2.gz ORUHSGYKWBSUGU-IPYPFGDCSA-N 2 1 247.386 2.195 20 0 BEADMP CC[C@H](C)C[NH2+]C[C@H](CC)[NH+]1CCCC1 ZINC000093056128 259401786 /nfs/dbraw/zinc/40/17/86/259401786.db2.gz CZRZOJNNKSOWPF-STQMWFEESA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@H]1[C@@H](C)[C@H](C)C[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000419375007 192128733 /nfs/dbraw/zinc/12/87/33/192128733.db2.gz QVWBSRITSSQMFN-RQJABVFESA-N 2 1 224.392 2.447 20 0 BEADMP C[C@@H]1[C@@H](C)[C@H](C)C[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000419375007 192128734 /nfs/dbraw/zinc/12/87/34/192128734.db2.gz QVWBSRITSSQMFN-RQJABVFESA-N 2 1 224.392 2.447 20 0 BEADMP CC(C)(C)[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000166228809 535081801 /nfs/dbraw/zinc/08/18/01/535081801.db2.gz ADAYUTWVZOMBQV-CYBMUJFWSA-N 2 1 224.392 2.354 20 0 BEADMP CSC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000598965328 349068903 /nfs/dbraw/zinc/06/89/03/349068903.db2.gz XZFGIMGPBLHBSB-QWRGUYRKSA-N 2 1 230.421 2.200 20 0 BEADMP CC[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248372851 349125058 /nfs/dbraw/zinc/12/50/58/349125058.db2.gz DDKNNRVTFYQVCL-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP Cc1ccc(F)c(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000251154880 349183419 /nfs/dbraw/zinc/18/34/19/349183419.db2.gz KBKFOPCHMSZXOR-DGCLKSJQSA-N 2 1 236.334 2.446 20 0 BEADMP Cc1ccc(F)c(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000251154880 349183424 /nfs/dbraw/zinc/18/34/24/349183424.db2.gz KBKFOPCHMSZXOR-DGCLKSJQSA-N 2 1 236.334 2.446 20 0 BEADMP CC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000421873253 192397838 /nfs/dbraw/zinc/39/78/38/192397838.db2.gz HHIUTPUKYSLNGT-IGQOVBAYSA-N 2 1 224.392 2.495 20 0 BEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1sc(C)nc1C ZINC000061299820 349366879 /nfs/dbraw/zinc/36/68/79/349366879.db2.gz PRCVZJGCRMWJEX-VIFPVBQESA-N 2 1 241.404 2.410 20 0 BEADMP C[C@@H](c1ccncc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000603939456 350057185 /nfs/dbraw/zinc/05/71/85/350057185.db2.gz MDFBZUHXMQTVKY-STQMWFEESA-N 2 1 233.359 2.026 20 0 BEADMP C[C@@H](c1ccncc1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000603939456 350057186 /nfs/dbraw/zinc/05/71/86/350057186.db2.gz MDFBZUHXMQTVKY-STQMWFEESA-N 2 1 233.359 2.026 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cccs1 ZINC000132115610 191025421 /nfs/dbraw/zinc/02/54/21/191025421.db2.gz TWTGHOCNHXNVQK-YPMHNXCESA-N 2 1 238.400 2.220 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000219775087 350140071 /nfs/dbraw/zinc/14/00/71/350140071.db2.gz PYOLQBREACEXHT-JSGCOSHPSA-N 2 1 218.344 2.164 20 0 BEADMP C[C@@H](CC1CC1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000132372799 191030314 /nfs/dbraw/zinc/03/03/14/191030314.db2.gz GDEZDZOWSQBSIV-AAEUAGOBSA-N 2 1 222.376 2.249 20 0 BEADMP CCC(CC)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000133371821 191040588 /nfs/dbraw/zinc/04/05/88/191040588.db2.gz BAQNCAXKNZVKOY-WCQYABFASA-N 2 1 212.381 2.352 20 0 BEADMP CCC(CC)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000133371979 191040851 /nfs/dbraw/zinc/04/08/51/191040851.db2.gz BAQNCAXKNZVKOY-AAEUAGOBSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000083390494 350193368 /nfs/dbraw/zinc/19/33/68/350193368.db2.gz STXNALHIBOKMBA-BXUZGUMPSA-N 2 1 222.376 2.391 20 0 BEADMP Cc1ncc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000090720783 180159052 /nfs/dbraw/zinc/15/90/52/180159052.db2.gz JHGWWOMRUAEPCI-KOLCDFICSA-N 2 1 239.388 2.024 20 0 BEADMP Cc1ncc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)s1 ZINC000090720783 180159055 /nfs/dbraw/zinc/15/90/55/180159055.db2.gz JHGWWOMRUAEPCI-KOLCDFICSA-N 2 1 239.388 2.024 20 0 BEADMP Cc1ncccc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000336498791 180219571 /nfs/dbraw/zinc/21/95/71/180219571.db2.gz HNZSGIVUZGZDET-HNNXBMFYSA-N 2 1 247.386 2.306 20 0 BEADMP Cc1ncccc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000336498791 180219573 /nfs/dbraw/zinc/21/95/73/180219573.db2.gz HNZSGIVUZGZDET-HNNXBMFYSA-N 2 1 247.386 2.306 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCC=CO1 ZINC000290404106 180237453 /nfs/dbraw/zinc/23/74/53/180237453.db2.gz JORJPRUGCUAEFE-CQSZACIVSA-N 2 1 249.358 2.206 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCC=CO1 ZINC000290404106 180237455 /nfs/dbraw/zinc/23/74/55/180237455.db2.gz JORJPRUGCUAEFE-CQSZACIVSA-N 2 1 249.358 2.206 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+]C1CCSCC1 ZINC000298703811 180245984 /nfs/dbraw/zinc/24/59/84/180245984.db2.gz QTALTKTYRHBVMG-UHFFFAOYSA-N 2 1 239.388 2.067 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000336734065 180246385 /nfs/dbraw/zinc/24/63/85/180246385.db2.gz HAOANBPSJIRTKM-NTZNESFSSA-N 2 1 221.348 2.216 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)c1ccccn1 ZINC000271070204 180249067 /nfs/dbraw/zinc/24/90/67/180249067.db2.gz JSEHEBXBXAOKCL-GFCCVEGCSA-N 2 1 244.342 2.280 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)c1ccccn1 ZINC000271070204 180249069 /nfs/dbraw/zinc/24/90/69/180249069.db2.gz JSEHEBXBXAOKCL-GFCCVEGCSA-N 2 1 244.342 2.280 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC2CCC1CC2 ZINC000378380952 180240342 /nfs/dbraw/zinc/24/03/42/180240342.db2.gz TWSJTEYSSGGMTF-UHFFFAOYSA-N 2 1 233.359 2.456 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CC2CCC1CC2 ZINC000378380952 180240344 /nfs/dbraw/zinc/24/03/44/180240344.db2.gz TWSJTEYSSGGMTF-UHFFFAOYSA-N 2 1 233.359 2.456 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cccnc1 ZINC000271323580 180243464 /nfs/dbraw/zinc/24/34/64/180243464.db2.gz KNUUQEIXYPLENV-LBPRGKRZSA-N 2 1 244.342 2.327 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]C1CCCCC1 ZINC000049329673 180260391 /nfs/dbraw/zinc/26/03/91/180260391.db2.gz UHAZMXPCPDICHX-UHFFFAOYSA-N 2 1 207.321 2.114 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]C[C@H]1CC=CCC1 ZINC000045629465 180260681 /nfs/dbraw/zinc/26/06/81/180260681.db2.gz FPFSBBCKSJDAIC-ZDUSSCGKSA-N 2 1 219.332 2.137 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]CCCC(C)C ZINC000049330298 180260735 /nfs/dbraw/zinc/26/07/35/180260735.db2.gz UNJVVQWTDSCWFE-UHFFFAOYSA-N 2 1 209.337 2.217 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000338005001 180262192 /nfs/dbraw/zinc/26/21/92/180262192.db2.gz ZNRRDDBGKUAQQH-KGLIPLIRSA-N 2 1 233.359 2.360 20 0 BEADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000309360525 350352332 /nfs/dbraw/zinc/35/23/32/350352332.db2.gz OQWDVASQTXFJMZ-YUTCNCBUSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000309360525 350352335 /nfs/dbraw/zinc/35/23/35/350352335.db2.gz OQWDVASQTXFJMZ-YUTCNCBUSA-N 2 1 224.392 2.493 20 0 BEADMP CCC1([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623536831 362955753 /nfs/dbraw/zinc/95/57/53/362955753.db2.gz DKPLNJHQNXUHMM-LLVKDONJSA-N 2 1 210.365 2.391 20 0 BEADMP Cc1ccncc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623539464 362958160 /nfs/dbraw/zinc/95/81/60/362958160.db2.gz PKKFRFNBGCIUQQ-CQSZACIVSA-N 2 1 247.386 2.352 20 0 BEADMP Cc1ccncc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623539464 362958166 /nfs/dbraw/zinc/95/81/66/362958166.db2.gz PKKFRFNBGCIUQQ-CQSZACIVSA-N 2 1 247.386 2.352 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000300520821 490563431 /nfs/dbraw/zinc/56/34/31/490563431.db2.gz ZSPBFDKDIQHYRY-MJBXVCDLSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000300520821 490563436 /nfs/dbraw/zinc/56/34/36/490563436.db2.gz ZSPBFDKDIQHYRY-MJBXVCDLSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000300520814 490564050 /nfs/dbraw/zinc/56/40/50/490564050.db2.gz ZSPBFDKDIQHYRY-MELADBBJSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000300520814 490564051 /nfs/dbraw/zinc/56/40/51/490564051.db2.gz ZSPBFDKDIQHYRY-MELADBBJSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)CCO1 ZINC000070362062 350531224 /nfs/dbraw/zinc/53/12/24/350531224.db2.gz FKCGQLOERARJEF-OLZOCXBDSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)CCO1 ZINC000070362062 350531227 /nfs/dbraw/zinc/53/12/27/350531227.db2.gz FKCGQLOERARJEF-OLZOCXBDSA-N 2 1 240.391 2.018 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428029322 191109406 /nfs/dbraw/zinc/10/94/06/191109406.db2.gz ABSCJAUJNRPTGF-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CC1(C)C[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336651982 350581022 /nfs/dbraw/zinc/58/10/22/350581022.db2.gz IJTUVPSFTXEKMM-LLVKDONJSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CS1 ZINC000623549721 362969799 /nfs/dbraw/zinc/96/97/99/362969799.db2.gz MOSQMNFOWKTOSV-GRYCIOLGSA-N 2 1 242.432 2.343 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1(C)C ZINC000623555187 362975511 /nfs/dbraw/zinc/97/55/11/362975511.db2.gz CAGLYZCELBHWON-YVECIDJPSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@H]1CCCC[C@H]1C ZINC000346689627 365992003 /nfs/dbraw/zinc/99/20/03/365992003.db2.gz ZQPUSVQSLFJNHX-ZOBORPQBSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H]1SCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623558516 362981292 /nfs/dbraw/zinc/98/12/92/362981292.db2.gz AGILQMCDTQNJIW-SDDRHHMPSA-N 2 1 242.432 2.343 20 0 BEADMP CCCC[N@@H+](C)CCC[NH+](CC)CC ZINC000041210418 350784182 /nfs/dbraw/zinc/78/41/82/350784182.db2.gz CTWPVMXNOJUBDH-UHFFFAOYSA-N 2 1 200.370 2.450 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2COC(C)(C)C2)CC1(C)C ZINC000623561958 362985994 /nfs/dbraw/zinc/98/59/94/362985994.db2.gz DAXNVZBBCLDNEG-NWDGAFQWSA-N 2 1 240.391 2.016 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2COC(C)(C)C2)CC1(C)C ZINC000623561957 362986051 /nfs/dbraw/zinc/98/60/51/362986051.db2.gz DAXNVZBBCLDNEG-NEPJUHHUSA-N 2 1 240.391 2.016 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CC2CCC2)C1 ZINC000252709094 538099759 /nfs/dbraw/zinc/09/97/59/538099759.db2.gz CAFGXXFNXDRBOX-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000336691926 350993935 /nfs/dbraw/zinc/99/39/35/350993935.db2.gz HIDVTPGQTCKKPR-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000336691926 350993937 /nfs/dbraw/zinc/99/39/37/350993937.db2.gz HIDVTPGQTCKKPR-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)CC1(C)C ZINC000623572199 363001186 /nfs/dbraw/zinc/00/11/86/363001186.db2.gz USPUTNMZZPVBDO-FVCCEPFGSA-N 2 1 222.376 2.247 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CC2(C)C)CC1 ZINC000336723820 351348821 /nfs/dbraw/zinc/34/88/21/351348821.db2.gz AXKINCDIUIDXES-DGCLKSJQSA-N 2 1 224.392 2.495 20 0 BEADMP Cc1nc(C)c([C@@H](C)[NH2+]CC2([NH3+])CCC2)s1 ZINC000088051951 351540744 /nfs/dbraw/zinc/54/07/44/351540744.db2.gz PUFJXWKIFZVSNX-MRVPVSSYSA-N 2 1 239.388 2.292 20 0 BEADMP CCC[C@@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)OC ZINC000637930614 351807171 /nfs/dbraw/zinc/80/71/71/351807171.db2.gz QGJLDQRSKIHSCS-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[C@@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)OC ZINC000637930614 351807172 /nfs/dbraw/zinc/80/71/72/351807172.db2.gz QGJLDQRSKIHSCS-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[C@@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)OC ZINC000637930614 351807173 /nfs/dbraw/zinc/80/71/73/351807173.db2.gz QGJLDQRSKIHSCS-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP CC[C@](C)(C[N@@H+](C)CC1CC[NH+](C)CC1)OC ZINC000638029408 351909828 /nfs/dbraw/zinc/90/98/28/351909828.db2.gz PAFKCNIYWQGHOU-CQSZACIVSA-N 2 1 242.407 2.075 20 0 BEADMP Cn1c(C[NH2+]CCC[NH+](C)C)cc2ccccc21 ZINC000638289259 352125236 /nfs/dbraw/zinc/12/52/36/352125236.db2.gz GQYHJZVZITYBTK-UHFFFAOYSA-N 2 1 245.370 2.220 20 0 BEADMP CCOC1CC(C[NH2+]C[C@@H](C)[NH+](CC)CC)C1 ZINC000638337238 352155898 /nfs/dbraw/zinc/15/58/98/352155898.db2.gz DRDMHTDDKMJRMK-IYXRBSQSSA-N 2 1 242.407 2.121 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000638387133 352196471 /nfs/dbraw/zinc/19/64/71/352196471.db2.gz STMYNRUZAUVYEB-JQWIXIFHSA-N 2 1 239.388 2.065 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CC2(F)F)C1 ZINC000638408348 352214169 /nfs/dbraw/zinc/21/41/69/352214169.db2.gz AHEYAVYEWULFAT-QJPTWQEYSA-N 2 1 246.345 2.352 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@](C)(CC)OC)C1 ZINC000638408449 352215063 /nfs/dbraw/zinc/21/50/63/352215063.db2.gz BBOPGDHXXBXYLV-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CCC3)C[C@@H]1C[NH3+] ZINC000630074878 363158778 /nfs/dbraw/zinc/15/87/78/363158778.db2.gz BWSIEDPMSRPRGH-DOMZBBRYSA-N 2 1 244.382 2.202 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]CCc1ccc(C)cc1 ZINC000638462477 352273764 /nfs/dbraw/zinc/27/37/64/352273764.db2.gz NPOZJAPIRBEKKS-UHFFFAOYSA-N 2 1 243.354 2.332 20 0 BEADMP CSc1ccccc1C[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000414947075 352370781 /nfs/dbraw/zinc/37/07/81/352370781.db2.gz UJLWBWOTTJLVKO-MNOVXSKESA-N 2 1 238.400 2.276 20 0 BEADMP Cc1ccc(C)c(C[NH2+][C@@H](C)[C@@H](C)[NH3+])c1 ZINC000415011571 352546802 /nfs/dbraw/zinc/54/68/02/352546802.db2.gz QSYFVPQXSFYGIO-NEPJUHHUSA-N 2 1 206.333 2.129 20 0 BEADMP COC1([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)CCC1 ZINC000412026405 191240174 /nfs/dbraw/zinc/24/01/74/191240174.db2.gz SFFFXFRNNJKUTF-OLZOCXBDSA-N 2 1 240.391 2.018 20 0 BEADMP CC[C@@H](C)[N@H+](CC[NH3+])Cc1ccccc1 ZINC000032011649 352734294 /nfs/dbraw/zinc/73/42/94/352734294.db2.gz BUKYQQDYSRHIOW-GFCCVEGCSA-N 2 1 206.333 2.246 20 0 BEADMP CC[C@@H](C)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000032011649 352734296 /nfs/dbraw/zinc/73/42/96/352734296.db2.gz BUKYQQDYSRHIOW-GFCCVEGCSA-N 2 1 206.333 2.246 20 0 BEADMP C[C@H](F)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334219519 352821417 /nfs/dbraw/zinc/82/14/17/352821417.db2.gz FUJHWHWWFBNTFR-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[C@H](F)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334219519 352821419 /nfs/dbraw/zinc/82/14/19/352821419.db2.gz FUJHWHWWFBNTFR-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[C@H](F)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000334219519 352821422 /nfs/dbraw/zinc/82/14/22/352821422.db2.gz FUJHWHWWFBNTFR-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[C@@H](F)CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334219505 352821449 /nfs/dbraw/zinc/82/14/49/352821449.db2.gz FUJHWHWWFBNTFR-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[C@@H](F)CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334219505 352821452 /nfs/dbraw/zinc/82/14/52/352821452.db2.gz FUJHWHWWFBNTFR-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[C@@H](F)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000334219505 352821456 /nfs/dbraw/zinc/82/14/56/352821456.db2.gz FUJHWHWWFBNTFR-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)C1CCCC1 ZINC000334192768 352784299 /nfs/dbraw/zinc/78/42/99/352784299.db2.gz JQFCCRBHAUPEAK-PWSUYJOCSA-N 2 1 233.359 2.435 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000340469491 188038437 /nfs/dbraw/zinc/03/84/37/188038437.db2.gz KEFWBJLGRACTON-KGLIPLIRSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@@H]1CC([NH2+][C@H]2CCC[NH2+]C2)C[C@@H](C)C1 ZINC000414895247 259435159 /nfs/dbraw/zinc/43/51/59/259435159.db2.gz WJKHEONFQBJHMO-SRVKXCTJSA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)[C@H](C[NH2+][C@@H]1CCSC1)[NH+]1CCCC1 ZINC000020200595 188232119 /nfs/dbraw/zinc/23/21/19/188232119.db2.gz LLPCZQUXFXNPDO-OLZOCXBDSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@@H]2C)CC[C@H]1[NH3+] ZINC000252097548 353295963 /nfs/dbraw/zinc/29/59/63/353295963.db2.gz FSQXNGIFBWULKA-RFQIPJPRSA-N 2 1 224.392 2.482 20 0 BEADMP C([C@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCCC1 ZINC000120101918 188247625 /nfs/dbraw/zinc/24/76/25/188247625.db2.gz KJAHEQMMGPZNKL-CYBMUJFWSA-N 2 1 222.376 2.347 20 0 BEADMP CC[C@@H](C)C[NH2+][C@H](C)C[NH+](CC)CC ZINC000084517992 538114463 /nfs/dbraw/zinc/11/44/63/538114463.db2.gz QUYODGQBQPVHQX-VXGBXAGGSA-N 2 1 200.370 2.352 20 0 BEADMP Cc1ccc(F)c(C[NH2+]C[C@@H](C)C[NH+](C)C)c1 ZINC000291706214 188268255 /nfs/dbraw/zinc/26/82/55/188268255.db2.gz KULDLDVSQFMBRG-GFCCVEGCSA-N 2 1 238.350 2.421 20 0 BEADMP C[C@H](c1ccccn1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252862406 353312234 /nfs/dbraw/zinc/31/22/34/353312234.db2.gz NZZGOCAJVWEUFJ-RFGFWPKPSA-N 2 1 245.370 2.202 20 0 BEADMP C1=CC[C@H](C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000037408319 188324842 /nfs/dbraw/zinc/32/48/42/188324842.db2.gz LKDBLTXRTTVDRA-UONOGXRCSA-N 2 1 234.387 2.417 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccs1 ZINC000049330045 188326788 /nfs/dbraw/zinc/32/67/88/188326788.db2.gz GWWAKMXTMRRMAC-UHFFFAOYSA-N 2 1 221.329 2.043 20 0 BEADMP CC(C)[NH+](CC[NH2+][C@H](C)CCCC[NH3+])C(C)C ZINC000310570355 188348689 /nfs/dbraw/zinc/34/86/89/188348689.db2.gz ZACSFPPAIFLYMF-CQSZACIVSA-N 3 1 243.439 2.212 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000300831787 188348786 /nfs/dbraw/zinc/34/87/86/188348786.db2.gz CCWIQMWOKXTLTP-RWMBFGLXSA-N 2 1 212.381 2.338 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000311099033 188350699 /nfs/dbraw/zinc/35/06/99/188350699.db2.gz ROEXYKLNLHTXAS-ZDUSSCGKSA-N 2 1 246.398 2.472 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000311099033 188350700 /nfs/dbraw/zinc/35/07/00/188350700.db2.gz ROEXYKLNLHTXAS-ZDUSSCGKSA-N 2 1 246.398 2.472 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000226543335 538116615 /nfs/dbraw/zinc/11/66/15/538116615.db2.gz ZSJBUSSRKGAOTF-BFHYXJOUSA-N 2 1 242.407 2.264 20 0 BEADMP Cc1ccsc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227057957 363226597 /nfs/dbraw/zinc/22/65/97/363226597.db2.gz SNXWKUQNDKWVLI-WDEREUQCSA-N 2 1 224.373 2.226 20 0 BEADMP [NH3+][C@@H](C[NH2+][C@@H](c1cccnc1)C1CCC1)C1CC1 ZINC000571669590 353493268 /nfs/dbraw/zinc/49/32/68/353493268.db2.gz CJPZVXGRNMJDAK-LSDHHAIUSA-N 2 1 245.370 2.250 20 0 BEADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000192390367 353549594 /nfs/dbraw/zinc/54/95/94/353549594.db2.gz RYBJEQJLVARLBC-WCQYABFASA-N 2 1 224.392 2.495 20 0 BEADMP C[N@@H+](CCOc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000231669832 353642046 /nfs/dbraw/zinc/64/20/46/353642046.db2.gz CQYRGCUVROLRIJ-CQSZACIVSA-N 2 1 248.370 2.139 20 0 BEADMP C[N@@H+](CCOc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000231669837 353642547 /nfs/dbraw/zinc/64/25/47/353642547.db2.gz CQYRGCUVROLRIJ-AWEZNQCLSA-N 2 1 248.370 2.139 20 0 BEADMP CCC[C@@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)OC ZINC000639106237 353613029 /nfs/dbraw/zinc/61/30/29/353613029.db2.gz XLRLXKYMIRCJJE-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC000119998478 353693752 /nfs/dbraw/zinc/69/37/52/353693752.db2.gz ZILAIUPRSQHDGA-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CC(C)[N@@H+](CC1CCC1)C[C@@H]1CCC[NH2+]C1 ZINC000232661933 353752728 /nfs/dbraw/zinc/75/27/28/353752728.db2.gz OMQLHSAKNZTGKO-CQSZACIVSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@H+](Cc1ccccn1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000233481430 353822929 /nfs/dbraw/zinc/82/29/29/353822929.db2.gz BTXUGWRIYUOHEO-UONOGXRCSA-N 2 1 247.386 2.292 20 0 BEADMP C1=C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000334520094 353883918 /nfs/dbraw/zinc/88/39/18/353883918.db2.gz WAHRWDXSFYGOMM-LBPRGKRZSA-N 2 1 220.360 2.312 20 0 BEADMP CC[C@](C)(C[N@@H+](C)CCC[NH+]1CCCC1)OC ZINC000639132919 353842723 /nfs/dbraw/zinc/84/27/23/353842723.db2.gz VEWCENCYQLPKLH-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP Cn1cncc1CC[N@H+]1CCCC(C)(C)C1 ZINC000334542883 353978079 /nfs/dbraw/zinc/97/80/79/353978079.db2.gz JNZTWLOVKURJJD-UHFFFAOYSA-N 2 1 221.348 2.085 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000343923263 354042983 /nfs/dbraw/zinc/04/29/83/354042983.db2.gz GNERMXYMNQSQPH-MJBXVCDLSA-N 2 1 242.407 2.121 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000343923263 354042987 /nfs/dbraw/zinc/04/29/87/354042987.db2.gz GNERMXYMNQSQPH-MJBXVCDLSA-N 2 1 242.407 2.121 20 0 BEADMP C[NH+](C)CCC[N@@H+](C)CC1CCSCC1 ZINC000639168411 354073391 /nfs/dbraw/zinc/07/33/91/354073391.db2.gz SZEWHKMDLKRBOK-UHFFFAOYSA-N 2 1 230.421 2.013 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H]1CC=CCC1 ZINC000344034199 354098632 /nfs/dbraw/zinc/09/86/32/354098632.db2.gz GWILCTMOBPMNER-AWEZNQCLSA-N 2 1 233.359 2.480 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H]1CC=CCC1 ZINC000344034199 354098635 /nfs/dbraw/zinc/09/86/35/354098635.db2.gz GWILCTMOBPMNER-AWEZNQCLSA-N 2 1 233.359 2.480 20 0 BEADMP CCC(CC)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231465342 363344741 /nfs/dbraw/zinc/34/47/41/363344741.db2.gz JZEIDQMRWCVKAX-ZDUSSCGKSA-N 2 1 212.381 2.497 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCC[C@H]2C2CC2)CC1 ZINC000344303876 354214222 /nfs/dbraw/zinc/21/42/22/354214222.db2.gz WOQDOQYJYXAVAG-GJZGRUSLSA-N 2 1 234.387 2.417 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)C[C@@](C)(CC)OC ZINC000639176300 354220915 /nfs/dbraw/zinc/22/09/15/354220915.db2.gz UOSYXYNOGNSUMA-CYBMUJFWSA-N 2 1 230.396 2.075 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639180380 354276746 /nfs/dbraw/zinc/27/67/46/354276746.db2.gz WONIIDRBCLWGMQ-QMIVOQANSA-N 2 1 236.403 2.305 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639180380 354276749 /nfs/dbraw/zinc/27/67/49/354276749.db2.gz WONIIDRBCLWGMQ-QMIVOQANSA-N 2 1 236.403 2.305 20 0 BEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639180380 354276753 /nfs/dbraw/zinc/27/67/53/354276753.db2.gz WONIIDRBCLWGMQ-QMIVOQANSA-N 2 1 236.403 2.305 20 0 BEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639180380 354276756 /nfs/dbraw/zinc/27/67/56/354276756.db2.gz WONIIDRBCLWGMQ-QMIVOQANSA-N 2 1 236.403 2.305 20 0 BEADMP C[C@@H]([NH3+])C[NH+]1CCC(c2ccccc2)CC1 ZINC000334608419 354315428 /nfs/dbraw/zinc/31/54/28/354315428.db2.gz SUHOYVMJLVGMDV-GFCCVEGCSA-N 2 1 218.344 2.213 20 0 BEADMP F[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000334641559 354397273 /nfs/dbraw/zinc/39/72/73/354397273.db2.gz BRIFKFFOUNLYAS-QWHCGFSZSA-N 2 1 226.339 2.093 20 0 BEADMP CC(C)[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCS1 ZINC000178976774 535262454 /nfs/dbraw/zinc/26/24/54/535262454.db2.gz SBEWUECYWXQECV-ZDUSSCGKSA-N 2 1 242.432 2.059 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]CCC[C@H]1CCO1 ZINC000639198139 354599912 /nfs/dbraw/zinc/59/99/12/354599912.db2.gz NUAOJFIMYOWEEP-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]CCC[C@H]1CCO1 ZINC000639198139 354599913 /nfs/dbraw/zinc/59/99/13/354599913.db2.gz NUAOJFIMYOWEEP-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP CC[N@@H+](CC1CC1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000233456681 363402393 /nfs/dbraw/zinc/40/23/93/363402393.db2.gz QEDHLTREQHCBGO-WCQYABFASA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000346034022 354862503 /nfs/dbraw/zinc/86/25/03/354862503.db2.gz DQZGZHSCMXTHEQ-ZFWWWQNUSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000346034022 354862505 /nfs/dbraw/zinc/86/25/05/354862505.db2.gz DQZGZHSCMXTHEQ-ZFWWWQNUSA-N 2 1 232.371 2.288 20 0 BEADMP CC[C@H](C)C[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000233997443 363413044 /nfs/dbraw/zinc/41/30/44/363413044.db2.gz UCVOYEGZLKEYEY-NWDGAFQWSA-N 2 1 212.381 2.400 20 0 BEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000346496948 354960420 /nfs/dbraw/zinc/96/04/20/354960420.db2.gz WPOVHCPTVAJCDJ-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@H]1C[C@@H]1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000335204527 355039651 /nfs/dbraw/zinc/03/96/51/355039651.db2.gz NZPLRDGYJWCREB-QWHCGFSZSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000346677416 355009972 /nfs/dbraw/zinc/00/99/72/355009972.db2.gz ZOZYETMQQUEDHN-UKRRQHHQSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000346677416 355009975 /nfs/dbraw/zinc/00/99/75/355009975.db2.gz ZOZYETMQQUEDHN-UKRRQHHQSA-N 2 1 232.371 2.288 20 0 BEADMP CC(C[NH+]1CC[C@@H](C)C1)C[N@H+]1CC[C@@H](C)C1 ZINC000346638025 355015308 /nfs/dbraw/zinc/01/53/08/355015308.db2.gz GKFVRKBZCKOGFZ-CHWSQXEVSA-N 2 1 224.392 2.306 20 0 BEADMP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000335229452 355071473 /nfs/dbraw/zinc/07/14/73/355071473.db2.gz FGOHWTAKSAVABB-CMPLNLGQSA-N 2 1 238.762 2.477 20 0 BEADMP Fc1cccc(C2([NH2+]C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000346972369 355208130 /nfs/dbraw/zinc/20/81/30/355208130.db2.gz HEZVYSCSACMAHV-LBPRGKRZSA-N 2 1 248.345 2.404 20 0 BEADMP C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CC(C)(C)[NH3+] ZINC000346986923 355187804 /nfs/dbraw/zinc/18/78/04/355187804.db2.gz PXRIRRZUVDYFKL-RISCZKNCSA-N 2 1 248.370 2.048 20 0 BEADMP C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000346986923 355187807 /nfs/dbraw/zinc/18/78/07/355187807.db2.gz PXRIRRZUVDYFKL-RISCZKNCSA-N 2 1 248.370 2.048 20 0 BEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1sccc1Cl ZINC000335256422 355189475 /nfs/dbraw/zinc/18/94/75/355189475.db2.gz QJKANXLUJGKOEF-SCZZXKLOSA-N 2 1 244.791 2.489 20 0 BEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1sccc1Cl ZINC000335256421 355189720 /nfs/dbraw/zinc/18/97/20/355189720.db2.gz QJKANXLUJGKOEF-PSASIEDQSA-N 2 1 244.791 2.489 20 0 BEADMP CCC[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346997597 355196117 /nfs/dbraw/zinc/19/61/17/355196117.db2.gz XMERJWBPIGIDBO-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP CC[C@@H]1COCC[N@H+]1CCCc1cnccc1C ZINC000347630323 355241265 /nfs/dbraw/zinc/24/12/65/355241265.db2.gz DJHVIBRLZOMSQX-OAHLLOKOSA-N 2 1 248.370 2.433 20 0 BEADMP CC[C@@H]1COCCN1CCCc1cnccc1C ZINC000347630323 355241268 /nfs/dbraw/zinc/24/12/68/355241268.db2.gz DJHVIBRLZOMSQX-OAHLLOKOSA-N 2 1 248.370 2.433 20 0 BEADMP Cc1cc(NCCCC[N@H+](C)C2CC2)cc[nH+]1 ZINC000413349693 191373716 /nfs/dbraw/zinc/37/37/16/191373716.db2.gz SYWBWPHJRBTARD-UHFFFAOYSA-N 2 1 233.359 2.098 20 0 BEADMP CCC[C@@H](C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)OC ZINC000639256574 355299500 /nfs/dbraw/zinc/29/95/00/355299500.db2.gz CQUBRVKMGDWTJC-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[C@@H](C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)OC ZINC000639256575 355299590 /nfs/dbraw/zinc/29/95/90/355299590.db2.gz CQUBRVKMGDWTJC-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[C@H](C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)OC ZINC000639256576 355299712 /nfs/dbraw/zinc/29/97/12/355299712.db2.gz CQUBRVKMGDWTJC-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CC(C)[N@@H+](CC[C@H]1CC[NH2+]C1)CC1CC1 ZINC000084385420 355360812 /nfs/dbraw/zinc/36/08/12/355360812.db2.gz DHNPASAMMKHCKC-GFCCVEGCSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@](C)(C[NH2+]CCC[N@@H+](C)CC(C)C)OC ZINC000639290822 355464715 /nfs/dbraw/zinc/46/47/15/355464715.db2.gz WBBZCOCQHQHKPL-AWEZNQCLSA-N 2 1 244.423 2.369 20 0 BEADMP CC[C@](C)(C[NH2+]CCC[N@@H+](C)CC(C)C)OC ZINC000639290823 355465101 /nfs/dbraw/zinc/46/51/01/355465101.db2.gz WBBZCOCQHQHKPL-CQSZACIVSA-N 2 1 244.423 2.369 20 0 BEADMP CC(C)c1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415030160 191657886 /nfs/dbraw/zinc/65/78/86/191657886.db2.gz DNTOMAYDTBOEDH-FICVDOATSA-N 2 1 230.355 2.117 20 0 BEADMP CS[C@H]1CC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000425340276 191812646 /nfs/dbraw/zinc/81/26/46/191812646.db2.gz ADDNZANJGNKEFR-STQMWFEESA-N 2 1 242.432 2.344 20 0 BEADMP COC[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000608494917 355820292 /nfs/dbraw/zinc/82/02/92/355820292.db2.gz LXSKKLBSEFKDAW-CYBMUJFWSA-N 2 1 242.407 2.074 20 0 BEADMP C[C@H]1C[C@@H]([NH+](C)CC2(C)CC2)CC[N@@H+]1C ZINC000582217392 355938094 /nfs/dbraw/zinc/93/80/94/355938094.db2.gz WTOBODGJVIAACU-RYUDHWBXSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]1C[C@@H]([NH+](C)CC2(C)CC2)CC[N@H+]1C ZINC000582217392 355938097 /nfs/dbraw/zinc/93/80/97/355938097.db2.gz WTOBODGJVIAACU-RYUDHWBXSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]1C[C@@H]([N@H+](C)CC2(C)CC2)CC[NH+]1C ZINC000582217392 355938101 /nfs/dbraw/zinc/93/81/01/355938101.db2.gz WTOBODGJVIAACU-RYUDHWBXSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]1C[C@@H]([N@@H+](C)CC2(C)CC2)CC[NH+]1C ZINC000582217392 355938105 /nfs/dbraw/zinc/93/81/05/355938105.db2.gz WTOBODGJVIAACU-RYUDHWBXSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)C1C[NH2+]C1 ZINC000530218147 355899621 /nfs/dbraw/zinc/89/96/21/355899621.db2.gz KESRAYOURABDEU-NHYWBVRUSA-N 2 1 245.370 2.120 20 0 BEADMP C[C@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@H]1C ZINC000351439995 355991899 /nfs/dbraw/zinc/99/18/99/355991899.db2.gz ZXBXCPQIAUTYLW-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC000351439995 355991900 /nfs/dbraw/zinc/99/19/00/355991900.db2.gz ZXBXCPQIAUTYLW-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC000351439995 355991906 /nfs/dbraw/zinc/99/19/06/355991906.db2.gz ZXBXCPQIAUTYLW-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP CCC(C)(C)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351494624 356001704 /nfs/dbraw/zinc/00/17/04/356001704.db2.gz OLTYAYQOPFGGGH-RWMBFGLXSA-N 2 1 224.392 2.482 20 0 BEADMP Cc1ccc(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000335906398 356105809 /nfs/dbraw/zinc/10/58/09/356105809.db2.gz DDUNNXGGHUFYTG-HOTGVXAUSA-N 2 1 244.382 2.221 20 0 BEADMP CCC[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420297083 192204629 /nfs/dbraw/zinc/20/46/29/192204629.db2.gz FINZSZGNUHZINE-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H](c1cccc(O)c1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420296026 192204862 /nfs/dbraw/zinc/20/48/62/192204862.db2.gz CVTSRNJMUXOYCM-STQMWFEESA-N 2 1 248.370 2.385 20 0 BEADMP CCC[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420297080 192205527 /nfs/dbraw/zinc/20/55/27/192205527.db2.gz FINZSZGNUHZINE-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@](C[NH3+])([NH2+]CCCc1ccsc1)C1CC1 ZINC000420286190 192199970 /nfs/dbraw/zinc/19/99/70/192199970.db2.gz FUFYSONJXRSJDZ-CYBMUJFWSA-N 2 1 238.400 2.398 20 0 BEADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CCC1 ZINC000420302528 192206679 /nfs/dbraw/zinc/20/66/79/192206679.db2.gz MLKUEKFPEDKORV-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP CC(C)C[C@H](C)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000420286474 192202292 /nfs/dbraw/zinc/20/22/92/192202292.db2.gz GRGADVGONLFVGE-WCQYABFASA-N 2 1 212.381 2.386 20 0 BEADMP C[C@H]1CCCC[C@H]1OCC[N@@H+](C)C1CC([NH3+])C1 ZINC000420331889 192213712 /nfs/dbraw/zinc/21/37/12/192213712.db2.gz MSHPCCSPRHOZGO-GFJIZPEISA-N 2 1 240.391 2.003 20 0 BEADMP CSc1ccccc1C[N@H+](C)C1CC([NH3+])C1 ZINC000420330046 192214473 /nfs/dbraw/zinc/21/44/73/192214473.db2.gz LDLRXIGZHBJMJK-UHFFFAOYSA-N 2 1 236.384 2.330 20 0 BEADMP CSc1ccccc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000420330046 192214477 /nfs/dbraw/zinc/21/44/77/192214477.db2.gz LDLRXIGZHBJMJK-UHFFFAOYSA-N 2 1 236.384 2.330 20 0 BEADMP CC[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330942 192214852 /nfs/dbraw/zinc/21/48/52/192214852.db2.gz QIJUWGRVSDWWHN-XQQFMLRXSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330944 192215257 /nfs/dbraw/zinc/21/52/57/192215257.db2.gz QIJUWGRVSDWWHN-YNEHKIRRSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1ccccc1OCCC[N@H+](C)C1CC([NH3+])C1 ZINC000420330636 192215268 /nfs/dbraw/zinc/21/52/68/192215268.db2.gz LKLBUPFOPUKSAN-UHFFFAOYSA-N 2 1 248.370 2.185 20 0 BEADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)C1Cc2ccccc2C1 ZINC000420303521 192207698 /nfs/dbraw/zinc/20/76/98/192207698.db2.gz KMZDCWKHADVWBW-CYBMUJFWSA-N 2 1 244.382 2.085 20 0 BEADMP Cc1cnc([C@@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)o1 ZINC000420305473 192208700 /nfs/dbraw/zinc/20/87/00/192208700.db2.gz GKKKDZFDJFZYOU-VXGBXAGGSA-N 2 1 237.347 2.105 20 0 BEADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2C)cc1 ZINC000420306611 192209647 /nfs/dbraw/zinc/20/96/47/192209647.db2.gz QNBBTOONRRNWPM-JSGCOSHPSA-N 2 1 248.370 2.222 20 0 BEADMP C[C@H]([NH3+])C[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000420312763 192211021 /nfs/dbraw/zinc/21/10/21/192211021.db2.gz XEFVUJFYQPJBFM-IPYPFGDCSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000420312763 192211023 /nfs/dbraw/zinc/21/10/23/192211023.db2.gz XEFVUJFYQPJBFM-IPYPFGDCSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCc2ccsc2)C1 ZINC000420317254 192211987 /nfs/dbraw/zinc/21/19/87/192211987.db2.gz ZDCHSSBBTFFCLY-YPMHNXCESA-N 2 1 238.400 2.350 20 0 BEADMP CCc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000420313978 192212238 /nfs/dbraw/zinc/21/22/38/192212238.db2.gz KODAWDBFNKVBBB-HZPDHXFCSA-N 2 1 244.382 2.433 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420314661 192212354 /nfs/dbraw/zinc/21/23/54/192212354.db2.gz ZHGJZCFFVSXCDW-FRRDWIJNSA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@]1(C)CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420313592 192212474 /nfs/dbraw/zinc/21/24/74/192212474.db2.gz YDEUDSHVFBQQLP-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCc2ccsc2)C1 ZINC000420317250 192212640 /nfs/dbraw/zinc/21/26/40/192212640.db2.gz ZDCHSSBBTFFCLY-AAEUAGOBSA-N 2 1 238.400 2.350 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(C)n1 ZINC000420314241 192212873 /nfs/dbraw/zinc/21/28/73/192212873.db2.gz QKPFAOIPDDRRJR-AWEZNQCLSA-N 2 1 247.386 2.259 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000420372130 192229019 /nfs/dbraw/zinc/22/90/19/192229019.db2.gz LCYIHQYKIQHGBT-IUCAKERBSA-N 2 1 212.724 2.338 20 0 BEADMP Cc1cc([C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)on1 ZINC000420326821 192229967 /nfs/dbraw/zinc/22/99/67/192229967.db2.gz XVHBZAZAYFFEOZ-OLZOCXBDSA-N 2 1 249.358 2.120 20 0 BEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCOc1ccccc1 ZINC000420372507 192230327 /nfs/dbraw/zinc/23/03/27/192230327.db2.gz XZRQGHYZBDUANE-CYBMUJFWSA-N 2 1 236.359 2.028 20 0 BEADMP CCOc1ccccc1[C@@H](C)[NH2+]CCC[NH2+]C ZINC000420371647 192230593 /nfs/dbraw/zinc/23/05/93/192230593.db2.gz KUBIKWIKKNHHIK-GFCCVEGCSA-N 2 1 236.359 2.345 20 0 BEADMP C[NH2+]CCC[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000420354810 192220289 /nfs/dbraw/zinc/22/02/89/192220289.db2.gz DLVXYAVQFXXRHW-UHFFFAOYSA-N 2 1 232.371 2.389 20 0 BEADMP C[NH2+]CCC[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000420354810 192220291 /nfs/dbraw/zinc/22/02/91/192220291.db2.gz DLVXYAVQFXXRHW-UHFFFAOYSA-N 2 1 232.371 2.389 20 0 BEADMP CC(C)CCOCC[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420360465 192221182 /nfs/dbraw/zinc/22/11/82/192221182.db2.gz HEIGGFAOUULTOF-BFHYXJOUSA-N 2 1 242.407 2.025 20 0 BEADMP CC(C)CCOCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420360470 192222420 /nfs/dbraw/zinc/22/24/20/192222420.db2.gz HEIGGFAOUULTOF-MELADBBJSA-N 2 1 242.407 2.025 20 0 BEADMP CC(C)OCCC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420363767 192224385 /nfs/dbraw/zinc/22/43/85/192224385.db2.gz JSDLWBYOGIWWFG-AWEZNQCLSA-N 2 1 242.407 2.299 20 0 BEADMP C[C@@H]1CCCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420364049 192224411 /nfs/dbraw/zinc/22/44/11/192224411.db2.gz CLTBCXGPIAAXRB-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP C[NH2+]CCC[N@@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC000420392605 192236749 /nfs/dbraw/zinc/23/67/49/192236749.db2.gz VZLYWOPXFSRDHX-AWEZNQCLSA-N 2 1 236.334 2.354 20 0 BEADMP CCSCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420396045 192237473 /nfs/dbraw/zinc/23/74/73/192237473.db2.gz LMJMOSBNDFBCIT-CHWSQXEVSA-N 2 1 242.432 2.204 20 0 BEADMP [NH3+]CC[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000420400524 192238256 /nfs/dbraw/zinc/23/82/56/192238256.db2.gz IOQVCYWKGHPGQI-CQSZACIVSA-N 2 1 218.344 2.466 20 0 BEADMP CCc1cccc(C[N@@H+](C)CCC[NH2+]C)c1 ZINC000420379085 192232884 /nfs/dbraw/zinc/23/28/84/192232884.db2.gz APGXUGVYZRJXBY-UHFFFAOYSA-N 2 1 220.360 2.290 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000420381003 192233725 /nfs/dbraw/zinc/23/37/25/192233725.db2.gz XFFGTOQRUBJVPC-IUCAKERBSA-N 2 1 244.285 2.286 20 0 BEADMP CCc1cc(N(C)C[C@@H]2CCC[N@H+]2C)cc[nH+]1 ZINC000420635809 192252273 /nfs/dbraw/zinc/25/22/73/192252273.db2.gz MILAWBBDTRPWIT-AWEZNQCLSA-N 2 1 233.359 2.174 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000580381482 356440849 /nfs/dbraw/zinc/44/08/49/356440849.db2.gz GNERMXYMNQSQPH-RDBSUJKOSA-N 2 1 242.407 2.121 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000580381482 356440853 /nfs/dbraw/zinc/44/08/53/356440853.db2.gz GNERMXYMNQSQPH-RDBSUJKOSA-N 2 1 242.407 2.121 20 0 BEADMP CCc1cc(N2CCC[N@H+](CC)CC2)cc[nH+]1 ZINC000336194151 134125226 /nfs/dbraw/zinc/12/52/26/134125226.db2.gz BBGLBWDIFOTWKA-UHFFFAOYSA-N 2 1 233.359 2.176 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449777984 202032317 /nfs/dbraw/zinc/03/23/17/202032317.db2.gz AMGRYVQPHISKNE-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449777984 202032321 /nfs/dbraw/zinc/03/23/21/202032321.db2.gz AMGRYVQPHISKNE-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1cccc(CC[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000336215908 134136562 /nfs/dbraw/zinc/13/65/62/134136562.db2.gz PZAFYYYOHNRRJF-IYBDPMFKSA-N 2 1 244.382 2.031 20 0 BEADMP Cc1cccc(CC[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000336215908 134136563 /nfs/dbraw/zinc/13/65/63/134136563.db2.gz PZAFYYYOHNRRJF-IYBDPMFKSA-N 2 1 244.382 2.031 20 0 BEADMP Cc1cccc(CC[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000336215908 134136564 /nfs/dbraw/zinc/13/65/64/134136564.db2.gz PZAFYYYOHNRRJF-IYBDPMFKSA-N 2 1 244.382 2.031 20 0 BEADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)Oc1ccccc1 ZINC000422980139 192515556 /nfs/dbraw/zinc/51/55/56/192515556.db2.gz KZIDMKTVSVYNAZ-VNHYZAJKSA-N 2 1 248.370 2.184 20 0 BEADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)[C@H]1C[C@H]1C ZINC000321084454 259468573 /nfs/dbraw/zinc/46/85/73/259468573.db2.gz MIPPHJJVLUACGH-XBFCOCLRSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H]([NH2+]C)C2)C1 ZINC000346627657 134153419 /nfs/dbraw/zinc/15/34/19/134153419.db2.gz AHRYTTAFRVDMBW-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]([NH2+]C)C2)C1 ZINC000346627657 134153420 /nfs/dbraw/zinc/15/34/20/134153420.db2.gz AHRYTTAFRVDMBW-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130159354 325019735 /nfs/dbraw/zinc/01/97/35/325019735.db2.gz YZWZUEDYMBGUHJ-RWMBFGLXSA-N 2 1 210.365 2.247 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000353078043 134160651 /nfs/dbraw/zinc/16/06/51/134160651.db2.gz GNUJFZFGEHELEI-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000353078043 134160652 /nfs/dbraw/zinc/16/06/52/134160652.db2.gz GNUJFZFGEHELEI-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000450408145 202155935 /nfs/dbraw/zinc/15/59/35/202155935.db2.gz VFBVJJBRAKYHHP-VXGBXAGGSA-N 2 1 246.345 2.305 20 0 BEADMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H]1c1cn[nH]c1 ZINC000639779060 356725839 /nfs/dbraw/zinc/72/58/39/356725839.db2.gz WYRWRDBXFUZIOY-ZIAGYGMSSA-N 2 1 248.374 2.031 20 0 BEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639779060 356725841 /nfs/dbraw/zinc/72/58/41/356725841.db2.gz WYRWRDBXFUZIOY-ZIAGYGMSSA-N 2 1 248.374 2.031 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639779060 356725842 /nfs/dbraw/zinc/72/58/42/356725842.db2.gz WYRWRDBXFUZIOY-ZIAGYGMSSA-N 2 1 248.374 2.031 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639779060 356725844 /nfs/dbraw/zinc/72/58/44/356725844.db2.gz WYRWRDBXFUZIOY-ZIAGYGMSSA-N 2 1 248.374 2.031 20 0 BEADMP CC[NH+]1CCC([N@H+](C)CCC(C)C)CC1 ZINC000354240502 356732827 /nfs/dbraw/zinc/73/28/27/356732827.db2.gz RGHKTACPSUDEBH-UHFFFAOYSA-N 2 1 212.381 2.449 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)CCC(C)C)CC1 ZINC000354240502 356732828 /nfs/dbraw/zinc/73/28/28/356732828.db2.gz RGHKTACPSUDEBH-UHFFFAOYSA-N 2 1 212.381 2.449 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623357484 356794931 /nfs/dbraw/zinc/79/49/31/356794931.db2.gz RIPIJAAQJCFTGN-IJLUTSLNSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623357483 356795066 /nfs/dbraw/zinc/79/50/66/356795066.db2.gz RIPIJAAQJCFTGN-GRYCIOLGSA-N 2 1 210.365 2.105 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]CCOC(C)(C)C)CC1(C)C ZINC000623385379 356910476 /nfs/dbraw/zinc/91/04/76/356910476.db2.gz HVORWHQQQQXMKB-GFCCVEGCSA-N 2 1 242.407 2.264 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000261554482 535351651 /nfs/dbraw/zinc/35/16/51/535351651.db2.gz UGIBISMUQVEHSQ-NEPJUHHUSA-N 2 1 212.381 2.482 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000261554483 535351064 /nfs/dbraw/zinc/35/10/64/535351064.db2.gz UGIBISMUQVEHSQ-NWDGAFQWSA-N 2 1 212.381 2.482 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261545998 535351169 /nfs/dbraw/zinc/35/11/69/535351169.db2.gz KMKSIBKBLSXORL-ZDUSSCGKSA-N 2 1 212.381 2.483 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCCCCC1 ZINC000389754970 357026815 /nfs/dbraw/zinc/02/68/15/357026815.db2.gz OOMBSBQYECPAOT-DGCLKSJQSA-N 2 1 210.365 2.297 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1cccc(C(F)(F)F)c1 ZINC000020525849 357012358 /nfs/dbraw/zinc/01/23/58/357012358.db2.gz OIJSJMAJOFMCFA-UHFFFAOYSA-N 2 1 246.276 2.486 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000389985079 357079046 /nfs/dbraw/zinc/07/90/46/357079046.db2.gz LQOQQENCGBIGTI-YNEHKIRRSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000423265328 192658800 /nfs/dbraw/zinc/65/88/00/192658800.db2.gz CVJWDZBBWOGGON-CABCVRRESA-N 2 1 247.386 2.496 20 0 BEADMP CC(C)=CCC[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423282511 192674833 /nfs/dbraw/zinc/67/48/33/192674833.db2.gz VGHJTJBLUFTMOS-WCQYABFASA-N 2 1 210.365 2.448 20 0 BEADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000628425917 357254139 /nfs/dbraw/zinc/25/41/39/357254139.db2.gz ZCZQTAQWMOVJPQ-JHJVBQTASA-N 2 1 242.432 2.059 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000423297077 192685167 /nfs/dbraw/zinc/68/51/67/192685167.db2.gz IQRDURJDANMXHL-FRRDWIJNSA-N 2 1 210.365 2.282 20 0 BEADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccccc1N(C)C ZINC000423287739 192680153 /nfs/dbraw/zinc/68/01/53/192680153.db2.gz ODANGMUKYKNVLN-LLVKDONJSA-N 2 1 235.375 2.141 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CC(C)(C)C1 ZINC000395193032 357417059 /nfs/dbraw/zinc/41/70/59/357417059.db2.gz ZCSATZOTOPTCNG-WZRBSPASSA-N 2 1 224.392 2.493 20 0 BEADMP Cc1cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])c(C)s1 ZINC000582952024 357444413 /nfs/dbraw/zinc/44/44/13/357444413.db2.gz BPWDKRUKRKFMDT-RKDXNWHRSA-N 2 1 212.362 2.190 20 0 BEADMP Cc1cnccc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397487376 357515803 /nfs/dbraw/zinc/51/58/03/357515803.db2.gz WHIJTFVAPMHXQS-WHOFXGATSA-N 2 1 247.386 2.195 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCC(OC)CC1 ZINC000230388954 357532565 /nfs/dbraw/zinc/53/25/65/357532565.db2.gz DZEIAFUGLBKRTM-IYXRBSQSSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCC(OC)CC1 ZINC000230388954 357532567 /nfs/dbraw/zinc/53/25/67/357532567.db2.gz DZEIAFUGLBKRTM-IYXRBSQSSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000230405680 357539442 /nfs/dbraw/zinc/53/94/42/357539442.db2.gz BTVIILDGYXBOIG-ZOBORPQBSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)[C@@H](C[NH2+]C1CC(C)C1)[NH+]1CCCC1 ZINC000231787419 357628673 /nfs/dbraw/zinc/62/86/73/357628673.db2.gz HHXWLURYJAWVNQ-JXQTWKCFSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](C)C[NH2+][C@@H](C)C[NH+](CC)CC ZINC000084517991 491113506 /nfs/dbraw/zinc/11/35/06/491113506.db2.gz QUYODGQBQPVHQX-RYUDHWBXSA-N 2 1 200.370 2.352 20 0 BEADMP CCOC[C@H]([NH2+]C1CC[NH+](CC)CC1)C(C)C ZINC000233769994 357745886 /nfs/dbraw/zinc/74/58/86/357745886.db2.gz PLOUVHZLOMAFKG-AWEZNQCLSA-N 2 1 242.407 2.121 20 0 BEADMP CSC1(CN2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000235076880 357846979 /nfs/dbraw/zinc/84/69/79/357846979.db2.gz GTASBGAKWNQOPQ-GFCCVEGCSA-N 2 1 240.416 2.052 20 0 BEADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCOc2ccccc2)C1 ZINC000235438454 357868995 /nfs/dbraw/zinc/86/89/95/357868995.db2.gz OOTMFISGQXQRMT-HNNXBMFYSA-N 2 1 248.370 2.126 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCc2sccc21 ZINC000235460407 357870331 /nfs/dbraw/zinc/87/03/31/357870331.db2.gz IQXVDKIYPZXEMJ-PSASIEDQSA-N 2 1 210.346 2.062 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000382678823 357922952 /nfs/dbraw/zinc/92/29/52/357922952.db2.gz HPRVDICNGHPYNR-DFIIWKEWSA-N 2 1 230.355 2.369 20 0 BEADMP C[NH2+]CCSC[C@@H]1CCCC[N@H+]1C(C)C ZINC000583810410 357955642 /nfs/dbraw/zinc/95/56/42/357955642.db2.gz NIFKGSMZUHAJTJ-LBPRGKRZSA-N 2 1 230.421 2.202 20 0 BEADMP Cc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)c(C)s1 ZINC000584517277 358028670 /nfs/dbraw/zinc/02/86/70/358028670.db2.gz JZPAXECYTJOEAF-LBPRGKRZSA-N 2 1 226.389 2.438 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C2CCCCC2)CC[N@@H+]1C ZINC000090720402 363596347 /nfs/dbraw/zinc/59/63/47/363596347.db2.gz HKTQAIPQZUROAC-WCQYABFASA-N 2 1 210.365 2.391 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C2CCCCC2)CC[N@H+]1C ZINC000090720402 363596349 /nfs/dbraw/zinc/59/63/49/363596349.db2.gz HKTQAIPQZUROAC-WCQYABFASA-N 2 1 210.365 2.391 20 0 BEADMP CCC1([NH+](C)C)CC[NH+](CCOC(C)C)CC1 ZINC000640017636 358080627 /nfs/dbraw/zinc/08/06/27/358080627.db2.gz QJIRJZNBMQRIOP-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCc2ccccc2CC1 ZINC000079574277 358107423 /nfs/dbraw/zinc/10/74/23/358107423.db2.gz AKCKUIDBIWHJGJ-MRXNPFEDSA-N 2 1 246.398 2.461 20 0 BEADMP CCc1ccc(C[NH2+]C[C@@H]([NH3+])CC)s1 ZINC000225379804 358240444 /nfs/dbraw/zinc/24/04/44/358240444.db2.gz JNZVUXBWECYAKE-VIFPVBQESA-N 2 1 212.362 2.137 20 0 BEADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)o1 ZINC000040621074 358243585 /nfs/dbraw/zinc/24/35/85/358243585.db2.gz XYOKKPYEMRKSCO-ZDUSSCGKSA-N 2 1 236.359 2.408 20 0 BEADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)o1 ZINC000040621074 358243590 /nfs/dbraw/zinc/24/35/90/358243590.db2.gz XYOKKPYEMRKSCO-ZDUSSCGKSA-N 2 1 236.359 2.408 20 0 BEADMP Cc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000226878749 358346719 /nfs/dbraw/zinc/34/67/19/358346719.db2.gz PRFUTTUEDNVVQT-TZMCWYRMSA-N 2 1 218.344 2.307 20 0 BEADMP CC(C)[N@@H+](CC1CC1)C[C@H]1CCC[NH2+]C1 ZINC000042593610 358353117 /nfs/dbraw/zinc/35/31/17/358353117.db2.gz SUEKWZJFSZJLIO-ZDUSSCGKSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1nc(C)c(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)s1 ZINC000228180803 358370348 /nfs/dbraw/zinc/37/03/48/358370348.db2.gz FJVOSLWQDHAUNU-KCJUWKMLSA-N 2 1 239.388 2.072 20 0 BEADMP Cc1nc(C)c(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)s1 ZINC000228180803 358370351 /nfs/dbraw/zinc/37/03/51/358370351.db2.gz FJVOSLWQDHAUNU-KCJUWKMLSA-N 2 1 239.388 2.072 20 0 BEADMP CCc1ccc(C[N@@H+](C)CCC[NH3+])s1 ZINC000227742745 358362779 /nfs/dbraw/zinc/36/27/79/358362779.db2.gz DVSMLKSOVCLNLH-UHFFFAOYSA-N 2 1 212.362 2.091 20 0 BEADMP C[C@H](C[NH+](C)C)Nc1cc[nH+]cc1Cl ZINC000130599603 358633273 /nfs/dbraw/zinc/63/32/73/358633273.db2.gz GJVZSOIINZJICW-MRVPVSSYSA-N 2 1 213.712 2.097 20 0 BEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCc1ccccc1 ZINC000131486805 358678512 /nfs/dbraw/zinc/67/85/12/358678512.db2.gz AOEROUQKYHJYKH-ZFWWWQNUSA-N 2 1 232.371 2.288 20 0 BEADMP Cc1ncc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)s1 ZINC000133293746 358749487 /nfs/dbraw/zinc/74/94/87/358749487.db2.gz FSEREJAZQCCSKE-LBPRGKRZSA-N 2 1 241.404 2.257 20 0 BEADMP Cc1ncc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)s1 ZINC000133293746 358749490 /nfs/dbraw/zinc/74/94/90/358749490.db2.gz FSEREJAZQCCSKE-LBPRGKRZSA-N 2 1 241.404 2.257 20 0 BEADMP CCCCOCC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000133290303 358749639 /nfs/dbraw/zinc/74/96/39/358749639.db2.gz YHAUTMWLEUGVMR-CYBMUJFWSA-N 2 1 230.396 2.108 20 0 BEADMP Cc1ncc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)s1 ZINC000133293945 358749698 /nfs/dbraw/zinc/74/96/98/358749698.db2.gz FSEREJAZQCCSKE-GFCCVEGCSA-N 2 1 241.404 2.257 20 0 BEADMP Cc1ncc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)s1 ZINC000133293945 358749700 /nfs/dbraw/zinc/74/97/00/358749700.db2.gz FSEREJAZQCCSKE-GFCCVEGCSA-N 2 1 241.404 2.257 20 0 BEADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000219843605 134292457 /nfs/dbraw/zinc/29/24/57/134292457.db2.gz IRUQXDSSJHUDKS-LLVKDONJSA-N 2 1 238.762 2.429 20 0 BEADMP C[C@H]1CCC[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC000134684939 358800825 /nfs/dbraw/zinc/80/08/25/358800825.db2.gz JVRWROJPYZEGMW-LBPRGKRZSA-N 2 1 222.376 2.345 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000219836941 134292103 /nfs/dbraw/zinc/29/21/03/134292103.db2.gz BHYVJULQJQUVOV-GXTWGEPZSA-N 2 1 218.344 2.164 20 0 BEADMP Cc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000219836450 134292109 /nfs/dbraw/zinc/29/21/09/134292109.db2.gz RYRFEPQYAFWMQG-GXTWGEPZSA-N 2 1 218.344 2.164 20 0 BEADMP C[C@@H](CCC1CC1)[NH2+]CCc1c[nH+]cn1C ZINC000309591532 358878924 /nfs/dbraw/zinc/87/89/24/358878924.db2.gz UXEODQDDXSEKMG-NSHDSACASA-N 2 1 221.348 2.131 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCF)[C@H](C)C1 ZINC000137645786 358897919 /nfs/dbraw/zinc/89/79/19/358897919.db2.gz XZJBOUXEAOGVHO-NEPJUHHUSA-N 2 1 216.344 2.008 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCF)[C@H](C)C1 ZINC000137645786 358897921 /nfs/dbraw/zinc/89/79/21/358897921.db2.gz XZJBOUXEAOGVHO-NEPJUHHUSA-N 2 1 216.344 2.008 20 0 BEADMP CC[C@H](C[NH2+][C@H](C)CCCOC)[NH+]1CCCC1 ZINC000177914788 134301976 /nfs/dbraw/zinc/30/19/76/134301976.db2.gz CFVMYBMLMPSUSX-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC)CC2)CCO1 ZINC000070359236 359051449 /nfs/dbraw/zinc/05/14/49/359051449.db2.gz PBACJDDANWKGQG-ZIAGYGMSSA-N 2 1 240.391 2.018 20 0 BEADMP CSCCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000075639160 359186946 /nfs/dbraw/zinc/18/69/46/359186946.db2.gz YZQMGEFJDSKOMU-UHFFFAOYSA-N 2 1 242.432 2.300 20 0 BEADMP Cc1cncc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000246516959 359143695 /nfs/dbraw/zinc/14/36/95/359143695.db2.gz UKGNIQBFDWHJAB-UMVBOHGHSA-N 2 1 247.386 2.208 20 0 BEADMP Cc1cncc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000246516959 359143701 /nfs/dbraw/zinc/14/37/01/359143701.db2.gz UKGNIQBFDWHJAB-UMVBOHGHSA-N 2 1 247.386 2.208 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCF)[C@@H](C)C1 ZINC000247348462 359214436 /nfs/dbraw/zinc/21/44/36/359214436.db2.gz XZJBOUXEAOGVHO-NWDGAFQWSA-N 2 1 216.344 2.008 20 0 BEADMP CCCC[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076002748 359264209 /nfs/dbraw/zinc/26/42/09/359264209.db2.gz CMHKRCKRTWIVDU-CYBMUJFWSA-N 2 1 212.381 2.450 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3occc32)CC[NH2+]1 ZINC000423386536 192761246 /nfs/dbraw/zinc/76/12/46/192761246.db2.gz SBBAZIYPZJWULC-MDZLAQPJSA-N 2 1 234.343 2.387 20 0 BEADMP CO[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000623436967 359329977 /nfs/dbraw/zinc/32/99/77/359329977.db2.gz LSXRXXOVEQABHH-STQMWFEESA-N 2 1 242.407 2.120 20 0 BEADMP CCc1nc(NCC[N@@H+](CC)C2CC2)cc(C)[nH+]1 ZINC000288044077 359537772 /nfs/dbraw/zinc/53/77/72/359537772.db2.gz UGOKBTVIBGQMMJ-UHFFFAOYSA-N 2 1 248.374 2.244 20 0 BEADMP CCc1nc(NCC[N@H+](CC)C2CC2)cc(C)[nH+]1 ZINC000288044077 359537776 /nfs/dbraw/zinc/53/77/76/359537776.db2.gz UGOKBTVIBGQMMJ-UHFFFAOYSA-N 2 1 248.374 2.244 20 0 BEADMP C[C@H](C[NH2+]Cc1cc2cccnc2o1)C[NH+](C)C ZINC000451172865 202369428 /nfs/dbraw/zinc/36/94/28/202369428.db2.gz PNJXREMEPOELKV-LLVKDONJSA-N 2 1 247.342 2.115 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@](C)(F)C1 ZINC000451118109 202357821 /nfs/dbraw/zinc/35/78/21/202357821.db2.gz WZNRHZLUTRGKBA-ZDUSSCGKSA-N 2 1 239.338 2.406 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@](C)(F)C1 ZINC000451118109 202357823 /nfs/dbraw/zinc/35/78/23/202357823.db2.gz WZNRHZLUTRGKBA-ZDUSSCGKSA-N 2 1 239.338 2.406 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)C[NH+](CC)CC ZINC000309168665 491146114 /nfs/dbraw/zinc/14/61/14/491146114.db2.gz KFTNVWDBCXQEQF-UPJWGTAASA-N 2 1 212.381 2.495 20 0 BEADMP CCc1cc(NC[C@@H]2CCC[N@H+](C)C2)nc(C)[nH+]1 ZINC000088760319 359977246 /nfs/dbraw/zinc/97/72/46/359977246.db2.gz CLELVHWTOMQGNK-LBPRGKRZSA-N 2 1 248.374 2.101 20 0 BEADMP CCc1cc(NC[C@@H]2CCC[N@@H+](C)C2)nc(C)[nH+]1 ZINC000088760319 359977251 /nfs/dbraw/zinc/97/72/51/359977251.db2.gz CLELVHWTOMQGNK-LBPRGKRZSA-N 2 1 248.374 2.101 20 0 BEADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cccc(F)c1 ZINC000089749133 360037181 /nfs/dbraw/zinc/03/71/81/360037181.db2.gz VUEBKAYJFRYCQO-GFCCVEGCSA-N 2 1 236.334 2.257 20 0 BEADMP c1ccc2c(c1)CC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000089749099 360037199 /nfs/dbraw/zinc/03/71/99/360037199.db2.gz CYYWDDBQFLESLZ-ZDUSSCGKSA-N 2 1 230.355 2.044 20 0 BEADMP Cn1ccnc1C[C@H]1CCC[N@@H+](CCCF)C1 ZINC000090004047 360053236 /nfs/dbraw/zinc/05/32/36/360053236.db2.gz KUILPHASIIXYBS-GFCCVEGCSA-N 2 1 239.338 2.034 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000090772730 360086400 /nfs/dbraw/zinc/08/64/00/360086400.db2.gz ZWZJXOPAANFGGM-AAEUAGOBSA-N 2 1 222.376 2.106 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C3CC3)CC2)[C@H](C)C1 ZINC000090772720 360086439 /nfs/dbraw/zinc/08/64/39/360086439.db2.gz IIZYEYHLZSPTOD-OCCSQVGLSA-N 2 1 236.403 2.497 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)CC1CC1 ZINC000133277692 491149383 /nfs/dbraw/zinc/14/93/83/491149383.db2.gz ZZYOZNOFGJINJC-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CCC(C)(C)C)CC[N@H+]1C ZINC000156096078 360948463 /nfs/dbraw/zinc/94/84/63/360948463.db2.gz FBQZSTGRTXPTSI-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP CC1(C)C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156073860 360946474 /nfs/dbraw/zinc/94/64/74/360946474.db2.gz JDGVJWITKWXVMH-UTUOFQBUSA-N 2 1 208.349 2.001 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000156111477 360948990 /nfs/dbraw/zinc/94/89/90/360948990.db2.gz FKOJVURKNHCQQM-UPJWGTAASA-N 2 1 212.381 2.493 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000156111477 360948995 /nfs/dbraw/zinc/94/89/95/360948995.db2.gz FKOJVURKNHCQQM-UPJWGTAASA-N 2 1 212.381 2.493 20 0 BEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000155845201 360927294 /nfs/dbraw/zinc/92/72/94/360927294.db2.gz XBZMINNYVZZJGS-CHWSQXEVSA-N 2 1 208.349 2.003 20 0 BEADMP CC(C)[C@H](C[NH2+][C@H](C)C[NH3+])c1ccccc1 ZINC000414924483 200781547 /nfs/dbraw/zinc/78/15/47/200781547.db2.gz HFSYKYHUUMLCDT-OCCSQVGLSA-N 2 1 220.360 2.363 20 0 BEADMP C[C@H](CC1CCC1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000133406760 491153383 /nfs/dbraw/zinc/15/33/83/491153383.db2.gz HERDWVCQHCTQSK-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H](CC1CCC1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000133406339 491153316 /nfs/dbraw/zinc/15/33/16/491153316.db2.gz HERDWVCQHCTQSK-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)CCCOC ZINC000309662140 491154052 /nfs/dbraw/zinc/15/40/52/491154052.db2.gz RRMXSONBGUMHDX-STQMWFEESA-N 2 1 230.396 2.121 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000629409640 361058309 /nfs/dbraw/zinc/05/83/09/361058309.db2.gz LVOQYWONSFTLSS-YRGRVCCFSA-N 2 1 218.344 2.130 20 0 BEADMP CCO[C@@H](C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)C1CC1 ZINC000629512950 361107176 /nfs/dbraw/zinc/10/71/76/361107176.db2.gz JQKOFCYDGHHODR-KGLIPLIRSA-N 2 1 242.407 2.107 20 0 BEADMP CCC[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)OCC ZINC000629515890 361110045 /nfs/dbraw/zinc/11/00/45/361110045.db2.gz VTXDUMGRXNGFCR-MGPQQGTHSA-N 2 1 242.407 2.312 20 0 BEADMP CCC[N@@H+](CCSCC)C1CC[NH2+]CC1 ZINC000158597451 361205506 /nfs/dbraw/zinc/20/55/06/361205506.db2.gz FFXDXWUVCOEPJR-UHFFFAOYSA-N 2 1 230.421 2.204 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(CO)c1 ZINC000424369868 200923987 /nfs/dbraw/zinc/92/39/87/200923987.db2.gz CPRYXGXGLHWLKM-NILFDRSVSA-N 2 1 248.370 2.099 20 0 BEADMP COc1ccc(F)c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000622043635 370674454 /nfs/dbraw/zinc/67/44/54/370674454.db2.gz GKIAQKWPVHKEPH-ZJUUUORDSA-N 2 1 240.322 2.050 20 0 BEADMP COCC(C)(C)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000429271844 201086449 /nfs/dbraw/zinc/08/64/49/201086449.db2.gz LVTZIKRFMFMCKU-UHFFFAOYSA-N 2 1 242.407 2.219 20 0 BEADMP C/C=C/C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000629536597 361399676 /nfs/dbraw/zinc/39/96/76/361399676.db2.gz IBEDEJCVWMOCQA-ISDWUYEVSA-N 2 1 218.344 2.111 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)[C@H]1C[C@H]1C ZINC000629540437 361414376 /nfs/dbraw/zinc/41/43/76/361414376.db2.gz PIGVSCIFTMZPTB-FHUSYTEZSA-N 2 1 210.365 2.151 20 0 BEADMP CC(C)C1CC([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000629542737 361420701 /nfs/dbraw/zinc/42/07/01/361420701.db2.gz KKMKGRMCFKMIBG-CQLXCSJHSA-N 2 1 210.365 2.151 20 0 BEADMP c1ccc([C@H]2CC[C@H]([NH2+][C@@H]3CC[NH2+]C3)C2)cc1 ZINC000629553039 361438041 /nfs/dbraw/zinc/43/80/41/361438041.db2.gz IEUFMSZRTZBVRI-SOUVJXGZSA-N 2 1 230.355 2.274 20 0 BEADMP COc1ccc([C@@H](C)[C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000629553371 361439068 /nfs/dbraw/zinc/43/90/68/361439068.db2.gz NWDHSLRWNRGWDR-SGMGOOAPSA-N 2 1 248.370 2.139 20 0 BEADMP FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000629551421 361444686 /nfs/dbraw/zinc/44/46/86/361444686.db2.gz VMGODAFTHBRWHO-SDDRHHMPSA-N 2 1 244.329 2.248 20 0 BEADMP C[NH2+]CCOCC[N@@H+](C)CC1CCCCCC1 ZINC000629571855 361463744 /nfs/dbraw/zinc/46/37/44/361463744.db2.gz KKDAWSCYZVVRGP-UHFFFAOYSA-N 2 1 242.407 2.125 20 0 BEADMP CCCCC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584207 361469741 /nfs/dbraw/zinc/46/97/41/361469741.db2.gz RJLVFQMDCDORFN-BETUJISGSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)CC[C@H]1[NH3+] ZINC000430941315 201160309 /nfs/dbraw/zinc/16/03/09/201160309.db2.gz VPRCWGIJHVLZDR-VCTAVGKDSA-N 2 1 248.345 2.482 20 0 BEADMP C[C@@H](c1ccncc1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629594157 361484653 /nfs/dbraw/zinc/48/46/53/361484653.db2.gz LLJAEUULDWRQCY-AEGPPILISA-N 2 1 245.370 2.074 20 0 BEADMP C[C@@H](c1ccncc1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629594157 361484656 /nfs/dbraw/zinc/48/46/56/361484656.db2.gz LLJAEUULDWRQCY-AEGPPILISA-N 2 1 245.370 2.074 20 0 BEADMP CCCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629567155 361457087 /nfs/dbraw/zinc/45/70/87/361457087.db2.gz WYTMXXXWRGYDPO-ZJUUUORDSA-N 2 1 238.297 2.246 20 0 BEADMP C[N@@H+](CC1CCCC1)C[C@H]1CCC[NH+](C)C1 ZINC000152390221 201197400 /nfs/dbraw/zinc/19/74/00/201197400.db2.gz CZSBKJHSUQUBRG-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH+](CC1CCCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000152390221 201197403 /nfs/dbraw/zinc/19/74/03/201197403.db2.gz CZSBKJHSUQUBRG-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP Cn1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)c1 ZINC000629647773 361537261 /nfs/dbraw/zinc/53/72/61/361537261.db2.gz IMBSZMXUJOVZMT-CQSZACIVSA-N 2 1 235.375 2.022 20 0 BEADMP CC(C)C[C@H](C)C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629660064 361564398 /nfs/dbraw/zinc/56/43/98/361564398.db2.gz NDLPBLUVMMBSCS-AVGNSLFASA-N 2 1 212.381 2.399 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCCC(F)(F)CC1 ZINC000629653958 361554416 /nfs/dbraw/zinc/55/44/16/361554416.db2.gz KINHHMPUCGCIMD-NSHDSACASA-N 2 1 234.334 2.481 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCCC(F)(F)CC1 ZINC000629653958 361554419 /nfs/dbraw/zinc/55/44/19/361554419.db2.gz KINHHMPUCGCIMD-NSHDSACASA-N 2 1 234.334 2.481 20 0 BEADMP CCSCC[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000152813974 201209371 /nfs/dbraw/zinc/20/93/71/201209371.db2.gz FKBSUPVLLXERES-LLVKDONJSA-N 2 1 230.421 2.202 20 0 BEADMP C[NH2+]CCC[N@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000435875601 201291158 /nfs/dbraw/zinc/29/11/58/201291158.db2.gz TXQUEQXHEHPPEY-AWEZNQCLSA-N 2 1 248.370 2.094 20 0 BEADMP CC[N@@H+](CCc1cccnc1)[C@H]1CCC[NH2+]CC1 ZINC000435623516 201280115 /nfs/dbraw/zinc/28/01/15/201280115.db2.gz HDVGWZZUXPPQOU-HNNXBMFYSA-N 2 1 247.386 2.088 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000435871039 201289869 /nfs/dbraw/zinc/28/98/69/201289869.db2.gz ISWQWQGWRUKNOI-OAHLLOKOSA-N 2 1 232.371 2.303 20 0 BEADMP C[NH2+]CCC[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000435881151 201292364 /nfs/dbraw/zinc/29/23/64/201292364.db2.gz SRPVJXBQPZRFQD-OAHLLOKOSA-N 2 1 232.371 2.260 20 0 BEADMP C[NH2+]CCC[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000435879356 201293567 /nfs/dbraw/zinc/29/35/67/201293567.db2.gz JPFYYYCEZVFKEA-DZGCQCFKSA-N 2 1 232.371 2.474 20 0 BEADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000310466802 491161585 /nfs/dbraw/zinc/16/15/85/491161585.db2.gz XQQSWZJFODXXLU-MELADBBJSA-N 2 1 242.407 2.262 20 0 BEADMP [NH3+]C1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000336563313 181345256 /nfs/dbraw/zinc/34/52/56/181345256.db2.gz IVRNGCGWQCPTCR-AWEZNQCLSA-N 2 1 234.318 2.236 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C2CCCCCC2)C[NH2+]1 ZINC000398951189 364279396 /nfs/dbraw/zinc/27/93/96/364279396.db2.gz DNDVHHONXSCBGE-DGCLKSJQSA-N 2 1 210.365 2.439 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]CC2CCCCC2)C[NH2+]1 ZINC000398974248 364401611 /nfs/dbraw/zinc/40/16/11/364401611.db2.gz XYGXMIBDNGFSIH-AAEUAGOBSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]CC2CCCCC2)C[NH2+]1 ZINC000398974252 364401664 /nfs/dbraw/zinc/40/16/64/364401664.db2.gz XYGXMIBDNGFSIH-WCQYABFASA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000398997809 364667467 /nfs/dbraw/zinc/66/74/67/364667467.db2.gz QKUXDSBSRWLNCU-NTZNESFSSA-N 2 1 238.400 2.409 20 0 BEADMP CC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)C1CCC1 ZINC000399043732 364749569 /nfs/dbraw/zinc/74/95/69/364749569.db2.gz RONIFBBQBSPRLH-DRZSPHRISA-N 2 1 210.365 2.295 20 0 BEADMP C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cncs1 ZINC000573530073 364854764 /nfs/dbraw/zinc/85/47/64/364854764.db2.gz QPTRFJOIXBEKNR-IUCAKERBSA-N 2 1 248.355 2.074 20 0 BEADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)CCOC)C1 ZINC000446788795 541391272 /nfs/dbraw/zinc/39/12/72/541391272.db2.gz ZIIAFQBUEKTEAG-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP C[N@H+]1CCC[C@@H](CC[NH2+]CC2(C)CC2)C1 ZINC000574617155 365101987 /nfs/dbraw/zinc/10/19/87/365101987.db2.gz YVDCOPZBLNSLFZ-LBPRGKRZSA-N 2 1 210.365 2.108 20 0 BEADMP [NH3+]CC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000580827738 367178319 /nfs/dbraw/zinc/17/83/19/367178319.db2.gz IZZZFXKKRHTLID-ZDUSSCGKSA-N 2 1 204.317 2.076 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@@H](C)[C@@H]1C ZINC000380238271 367159219 /nfs/dbraw/zinc/15/92/19/367159219.db2.gz MUTFPVFMKOZGGM-NDBYEHHHSA-N 2 1 212.381 2.349 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@@H](C)[C@@H]1C ZINC000380238271 367159226 /nfs/dbraw/zinc/15/92/26/367159226.db2.gz MUTFPVFMKOZGGM-NDBYEHHHSA-N 2 1 212.381 2.349 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C(C)(C)C1 ZINC000380504660 367224970 /nfs/dbraw/zinc/22/49/70/367224970.db2.gz IDPWOPIMJBAKRU-RWMBFGLXSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC2(CCC2)C1 ZINC000380523125 367228942 /nfs/dbraw/zinc/22/89/42/367228942.db2.gz UNAJXPIFLYKSDS-LBPRGKRZSA-N 2 1 210.365 2.236 20 0 BEADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000381128750 367353588 /nfs/dbraw/zinc/35/35/88/367353588.db2.gz KCKMBZCRXPGSDU-MELADBBJSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CC2CCC1CC2 ZINC000581251721 367308937 /nfs/dbraw/zinc/30/89/37/367308937.db2.gz IJLVVEMGPPXWJE-NNZPWHBESA-N 2 1 236.403 2.400 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CC2CCC1CC2 ZINC000581251720 367309505 /nfs/dbraw/zinc/30/95/05/367309505.db2.gz IJLVVEMGPPXWJE-BZTHDZJNSA-N 2 1 236.403 2.400 20 0 BEADMP Cc1cc(C[N@@H+](C)CCC[NH3+])ccc1Cl ZINC000382060732 367483174 /nfs/dbraw/zinc/48/31/74/367483174.db2.gz MFILNATXRNUUJA-UHFFFAOYSA-N 2 1 226.751 2.429 20 0 BEADMP Cc1ccnc([C@@H](C)[NH2+]CCC[NH2+]C(C)C)c1 ZINC000581482622 367513698 /nfs/dbraw/zinc/51/36/98/367513698.db2.gz BAXVMWACMJKZSS-CYBMUJFWSA-N 2 1 235.375 2.429 20 0 BEADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1CCC[NH2+]C ZINC000581612323 367634820 /nfs/dbraw/zinc/63/48/20/367634820.db2.gz LVGZUFLGDTUUPD-STQMWFEESA-N 2 1 212.381 2.497 20 0 BEADMP CC(C)[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccn1 ZINC000581669881 367701047 /nfs/dbraw/zinc/70/10/47/367701047.db2.gz KMAPYKWHVXPQAV-AWEZNQCLSA-N 2 1 247.386 2.292 20 0 BEADMP C[N@H+](Cc1ccc(F)c(Cl)c1)C1CC([NH3+])C1 ZINC000384757699 367727529 /nfs/dbraw/zinc/72/75/29/367727529.db2.gz AAAZEGBARYPJSZ-UHFFFAOYSA-N 2 1 242.725 2.401 20 0 BEADMP C[N@@H+](Cc1ccc(F)c(Cl)c1)C1CC([NH3+])C1 ZINC000384757699 367727531 /nfs/dbraw/zinc/72/75/31/367727531.db2.gz AAAZEGBARYPJSZ-UHFFFAOYSA-N 2 1 242.725 2.401 20 0 BEADMP CC/C=C\C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000384866944 367745714 /nfs/dbraw/zinc/74/57/14/367745714.db2.gz NZEHXOUCVMZTQD-LECYDYFVSA-N 2 1 210.365 2.271 20 0 BEADMP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cscn1 ZINC000581720316 367782911 /nfs/dbraw/zinc/78/29/11/367782911.db2.gz JHJNUCDMPFFKMG-DCAQKATOSA-N 2 1 239.388 2.311 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1cscn1 ZINC000581720318 367783073 /nfs/dbraw/zinc/78/30/73/367783073.db2.gz JHJNUCDMPFFKMG-HBNTYKKESA-N 2 1 239.388 2.311 20 0 BEADMP C[C@H]1[C@@H](C)[N@H+](CCCc2cncn2C)C[C@H]1C ZINC000581734853 367798044 /nfs/dbraw/zinc/79/80/44/367798044.db2.gz YVILPUWFWRHLLO-JHJVBQTASA-N 2 1 235.375 2.329 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H]2CC(C)C)CC1 ZINC000385886919 367875275 /nfs/dbraw/zinc/87/52/75/367875275.db2.gz YHLFYPCFHBUUTB-TZMCWYRMSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000581824633 367831968 /nfs/dbraw/zinc/83/19/68/367831968.db2.gz RXQZVOSMDTYPGA-GJZGRUSLSA-N 2 1 247.386 2.244 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000581824633 367831975 /nfs/dbraw/zinc/83/19/75/367831975.db2.gz RXQZVOSMDTYPGA-GJZGRUSLSA-N 2 1 247.386 2.244 20 0 BEADMP CC[N@@H+](CCC1CC1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000385489135 367835342 /nfs/dbraw/zinc/83/53/42/367835342.db2.gz DXBFFHYIWKLTDL-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]([NH2+]CCc1ccc(O)cc1)[C@@H]1CCCC[NH2+]1 ZINC000386530127 367987567 /nfs/dbraw/zinc/98/75/67/367987567.db2.gz AJFSCJFAAATPLY-DOMZBBRYSA-N 2 1 248.370 2.055 20 0 BEADMP CCC[N@H+](CC(F)F)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000387096569 368050998 /nfs/dbraw/zinc/05/09/98/368050998.db2.gz WIQKVFIIFDTTBP-MNOVXSKESA-N 2 1 234.334 2.352 20 0 BEADMP CCC[N@@H+](CC(F)F)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000387096569 368051006 /nfs/dbraw/zinc/05/10/06/368051006.db2.gz WIQKVFIIFDTTBP-MNOVXSKESA-N 2 1 234.334 2.352 20 0 BEADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1nccs1 ZINC000080310346 368493432 /nfs/dbraw/zinc/49/34/32/368493432.db2.gz LFZVKRBBDBJEIY-SNVBAGLBSA-N 2 1 247.367 2.453 20 0 BEADMP Cc1cc(C)c(C[N@@H+](C)CCC[NH3+])cc1C ZINC000084493739 368857028 /nfs/dbraw/zinc/85/70/28/368857028.db2.gz ACPNKOKIXFXYBU-UHFFFAOYSA-N 2 1 220.360 2.392 20 0 BEADMP CC1(C)CCCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000086874052 368886360 /nfs/dbraw/zinc/88/63/60/368886360.db2.gz NOOYOACKWXCFOZ-VXGBXAGGSA-N 2 1 210.365 2.297 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2c(C)cc(C)nc2C)C1 ZINC000631822174 368976172 /nfs/dbraw/zinc/97/61/72/368976172.db2.gz VFXLUVHLMISHQP-AWEZNQCLSA-N 2 1 247.386 2.048 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c(C)cc(C)nc2C)C1 ZINC000631822174 368976181 /nfs/dbraw/zinc/97/61/81/368976181.db2.gz VFXLUVHLMISHQP-AWEZNQCLSA-N 2 1 247.386 2.048 20 0 BEADMP C[C@@](C[NH3+])([NH2+]C[C@@H]1CCC(F)(F)C1)C1CC1 ZINC000631822371 368976922 /nfs/dbraw/zinc/97/69/22/368976922.db2.gz APVYVOMXJDYLHQ-KOLCDFICSA-N 2 1 232.318 2.139 20 0 BEADMP CC[C@@H](C)C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657778 368998875 /nfs/dbraw/zinc/99/88/75/368998875.db2.gz YXPRIKOCMUWOGH-CHWSQXEVSA-N 2 1 212.381 2.354 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000631827043 368991095 /nfs/dbraw/zinc/99/10/95/368991095.db2.gz DDQAWEPCCKRAFV-DDHJBXDOSA-N 2 1 246.345 2.398 20 0 BEADMP CS[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459455520 203283562 /nfs/dbraw/zinc/28/35/62/203283562.db2.gz ZAPULAIIHFTWHM-QWHCGFSZSA-N 2 1 240.416 2.097 20 0 BEADMP CCc1ccc(CC[N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000631860327 369468039 /nfs/dbraw/zinc/46/80/39/369468039.db2.gz JKCSRKSPJPHIRH-WFASDCNBSA-N 2 1 232.371 2.213 20 0 BEADMP CCc1ccc(CC[N@H+]2C[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000631860327 369468041 /nfs/dbraw/zinc/46/80/41/369468041.db2.gz JKCSRKSPJPHIRH-WFASDCNBSA-N 2 1 232.371 2.213 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCSC2)C1 ZINC000459724464 203343299 /nfs/dbraw/zinc/34/32/99/203343299.db2.gz DSTOYNDQZPDNJP-OLZOCXBDSA-N 2 1 242.432 2.204 20 0 BEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCSCC2)C1 ZINC000459730502 203344349 /nfs/dbraw/zinc/34/43/49/203344349.db2.gz KJIDKMZBMZUUBH-LBPRGKRZSA-N 2 1 242.432 2.204 20 0 BEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccco2)C1 ZINC000459731311 203345239 /nfs/dbraw/zinc/34/52/39/203345239.db2.gz LKRNUWPVKGHLLU-LBPRGKRZSA-N 2 1 222.332 2.101 20 0 BEADMP CCSCC[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459732361 203345282 /nfs/dbraw/zinc/34/52/82/203345282.db2.gz FUHXCPAECHWHGK-GFCCVEGCSA-N 2 1 230.421 2.061 20 0 BEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000459737339 203347786 /nfs/dbraw/zinc/34/77/86/203347786.db2.gz QYFSBWACOJJVCO-UONOGXRCSA-N 2 1 247.386 2.464 20 0 BEADMP C[C@@H](CC1CC1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459795985 203372829 /nfs/dbraw/zinc/37/28/29/203372829.db2.gz VRKWLJLPCUYNJB-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)C1CC1 ZINC000165292589 203383696 /nfs/dbraw/zinc/38/36/96/203383696.db2.gz JJFHATSRHSITFY-MNOVXSKESA-N 2 1 221.348 2.216 20 0 BEADMP CC(C)OC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459783999 203367582 /nfs/dbraw/zinc/36/75/82/203367582.db2.gz NSWPMSRNVOFYRG-KGLIPLIRSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CCC1 ZINC000459787785 203371647 /nfs/dbraw/zinc/37/16/47/203371647.db2.gz PZDWDJMEJQYKSN-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CCC1CC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459798407 203372382 /nfs/dbraw/zinc/37/23/82/203372382.db2.gz XQAGILBFSYVHQG-ROKHWSDSSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1CCC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000314188661 326294560 /nfs/dbraw/zinc/29/45/60/326294560.db2.gz QXQPXXNBDVNKNG-WCQYABFASA-N 2 1 221.348 2.131 20 0 BEADMP CCSCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252719758 370120074 /nfs/dbraw/zinc/12/00/74/370120074.db2.gz IVAVKVLVWCGJDV-QWHCGFSZSA-N 2 1 242.432 2.204 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]C2CC(C)(C)C2)[C@@H](C)C1 ZINC000309665785 370240992 /nfs/dbraw/zinc/24/09/92/370240992.db2.gz TZMFZDDBCJMYGT-WCQYABFASA-N 2 1 224.392 2.495 20 0 BEADMP FC1(F)C[C@@H]1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000621377190 370318627 /nfs/dbraw/zinc/31/86/27/370318627.db2.gz RLPVRLHYEACPML-SRVKXCTJSA-N 2 1 244.329 2.248 20 0 BEADMP Cc1cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)ccn1 ZINC000621774231 370520012 /nfs/dbraw/zinc/52/00/12/370520012.db2.gz OAAGMIVHBSKGMG-CQSZACIVSA-N 2 1 235.375 2.195 20 0 BEADMP Cc1cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)ccn1 ZINC000621774231 370520019 /nfs/dbraw/zinc/52/00/19/370520019.db2.gz OAAGMIVHBSKGMG-CQSZACIVSA-N 2 1 235.375 2.195 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC2CC(C)C2)[C@@H](C)C1 ZINC000621739717 370497224 /nfs/dbraw/zinc/49/72/24/370497224.db2.gz UHDXQWVWWIRZHZ-YIOUJQMASA-N 2 1 224.392 2.352 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000621777317 370525802 /nfs/dbraw/zinc/52/58/02/370525802.db2.gz APSCFRXEFLKXFW-HUUCEWRRSA-N 2 1 230.355 2.308 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000621777317 370525809 /nfs/dbraw/zinc/52/58/09/370525809.db2.gz APSCFRXEFLKXFW-HUUCEWRRSA-N 2 1 230.355 2.308 20 0 BEADMP Cc1ccc(CC[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000621782845 370531740 /nfs/dbraw/zinc/53/17/40/370531740.db2.gz TVGOQMRIPVEGAX-HZPDHXFCSA-N 2 1 244.382 2.351 20 0 BEADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCCC1CCC1)C2 ZINC000621783465 370533525 /nfs/dbraw/zinc/53/35/25/370533525.db2.gz BXRYMNLCFPGMPP-KBPBESRZSA-N 2 1 222.376 2.380 20 0 BEADMP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@H]2F)[C@H](C)C1 ZINC000378761547 371019133 /nfs/dbraw/zinc/01/91/33/371019133.db2.gz KBFBNRPZMZVMDU-LPWJVIDDSA-N 2 1 228.355 2.197 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@H]2F)[C@H](C)C1 ZINC000378761547 371019137 /nfs/dbraw/zinc/01/91/37/371019137.db2.gz KBFBNRPZMZVMDU-LPWJVIDDSA-N 2 1 228.355 2.197 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000623858808 371129564 /nfs/dbraw/zinc/12/95/64/371129564.db2.gz WOMFMHBBQFCXKY-KGLIPLIRSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000624120918 371321235 /nfs/dbraw/zinc/32/12/35/371321235.db2.gz KFEQJKZWLXQMES-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000624120921 371321640 /nfs/dbraw/zinc/32/16/40/371321640.db2.gz KFEQJKZWLXQMES-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CCC1 ZINC000624121367 371323335 /nfs/dbraw/zinc/32/33/35/371323335.db2.gz UTCUETFJAMOVIR-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123198 371324585 /nfs/dbraw/zinc/32/45/85/371324585.db2.gz HSICNQFWVAIFLH-STQMWFEESA-N 2 1 242.407 2.121 20 0 BEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC2(C)C)C1 ZINC000624123392 371325071 /nfs/dbraw/zinc/32/50/71/371325071.db2.gz LCPHBRXYOJQBIG-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP C/C=C\C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000624199677 371391064 /nfs/dbraw/zinc/39/10/64/371391064.db2.gz VLZLVMVKNOOHOW-DXELUQJMSA-N 2 1 208.349 2.025 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c(C)n1 ZINC000631829361 372610504 /nfs/dbraw/zinc/61/05/04/372610504.db2.gz OTKUWJCLZGCBDU-OCCSQVGLSA-N 2 1 247.386 2.318 20 0 BEADMP C[C@H]1C[N@H+](Cc2ccsc2Cl)C[C@H]1C[NH3+] ZINC000631837158 372627966 /nfs/dbraw/zinc/62/79/66/372627966.db2.gz NOTOHMCBKYUKHK-WCBMZHEXSA-N 2 1 244.791 2.428 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccsc2Cl)C[C@H]1C[NH3+] ZINC000631837158 372627969 /nfs/dbraw/zinc/62/79/69/372627969.db2.gz NOTOHMCBKYUKHK-WCBMZHEXSA-N 2 1 244.791 2.428 20 0 BEADMP C[C@@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)C[C@H]1C[NH3+] ZINC000631839208 372633757 /nfs/dbraw/zinc/63/37/57/372633757.db2.gz BXJCUHVVGDPCLF-HCKVZZMMSA-N 2 1 248.345 2.340 20 0 BEADMP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839553 372636720 /nfs/dbraw/zinc/63/67/20/372636720.db2.gz HRABYVDZHUTUSH-NQBHXWOUSA-N 2 1 236.334 2.413 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000631844026 372643032 /nfs/dbraw/zinc/64/30/32/372643032.db2.gz DXBHQLGCDSWKSM-CMPLNLGQSA-N 2 1 238.762 2.367 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CC1CCCCCC1 ZINC000631861623 372661404 /nfs/dbraw/zinc/66/14/04/372661404.db2.gz FUXMAQVPWSZSNY-WCQYABFASA-N 2 1 210.365 2.378 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CC1CCCCCC1 ZINC000631861623 372661411 /nfs/dbraw/zinc/66/14/11/372661411.db2.gz FUXMAQVPWSZSNY-WCQYABFASA-N 2 1 210.365 2.378 20 0 BEADMP [NH3+]CCC[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000631873985 372675516 /nfs/dbraw/zinc/67/55/16/372675516.db2.gz XGGYWHUOFKLZNG-ZDUSSCGKSA-N 2 1 210.365 2.237 20 0 BEADMP Fc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631884247 372679843 /nfs/dbraw/zinc/67/98/43/372679843.db2.gz HJWLMMXEFNYJTR-HIFRSBDPSA-N 2 1 248.345 2.400 20 0 BEADMP Fc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631884247 372679847 /nfs/dbraw/zinc/67/98/47/372679847.db2.gz HJWLMMXEFNYJTR-HIFRSBDPSA-N 2 1 248.345 2.400 20 0 BEADMP Fc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631884249 372680151 /nfs/dbraw/zinc/68/01/51/372680151.db2.gz HJWLMMXEFNYJTR-UKRRQHHQSA-N 2 1 248.345 2.400 20 0 BEADMP Fc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631884249 372680156 /nfs/dbraw/zinc/68/01/56/372680156.db2.gz HJWLMMXEFNYJTR-UKRRQHHQSA-N 2 1 248.345 2.400 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887536 372681174 /nfs/dbraw/zinc/68/11/74/372681174.db2.gz NVKONUTZIAXXLH-XQQFMLRXSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887534 372681389 /nfs/dbraw/zinc/68/13/89/372681389.db2.gz NVKONUTZIAXXLH-AVGNSLFASA-N 2 1 210.365 2.106 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631891112 372687128 /nfs/dbraw/zinc/68/71/28/372687128.db2.gz WCFWXMWQYFSMHG-SUJAAXHWSA-N 2 1 248.414 2.497 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631891112 372687130 /nfs/dbraw/zinc/68/71/30/372687130.db2.gz WCFWXMWQYFSMHG-SUJAAXHWSA-N 2 1 248.414 2.497 20 0 BEADMP CC(C)[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000168070491 206148401 /nfs/dbraw/zinc/14/84/01/206148401.db2.gz ZJMYMCNKXRGTBL-UPJWGTAASA-N 2 1 212.381 2.208 20 0 BEADMP C[C@H](CC[NH3+])[NH2+]Cc1sccc1Cl ZINC000220502987 134309060 /nfs/dbraw/zinc/30/90/60/134309060.db2.gz NABFFUDPAQVJHD-SSDOTTSWSA-N 2 1 218.753 2.228 20 0 BEADMP CCOCC[N@@H+](CC)CCCC1CC[NH2+]CC1 ZINC000104200655 170394628 /nfs/dbraw/zinc/39/46/28/170394628.db2.gz QISLDBVYTJEKRZ-UHFFFAOYSA-N 2 1 242.407 2.125 20 0 BEADMP CCCC[C@H]([NH2+]CC[NH3+])c1ccccc1 ZINC000037712946 169011605 /nfs/dbraw/zinc/01/16/05/169011605.db2.gz NXDOQUCWBDLGBY-ZDUSSCGKSA-N 2 1 206.333 2.466 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000356878277 169122450 /nfs/dbraw/zinc/12/24/50/169122450.db2.gz SRKVGKDZCPNCAW-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000356878277 169122452 /nfs/dbraw/zinc/12/24/52/169122452.db2.gz SRKVGKDZCPNCAW-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@H]1C[C@@H]1C ZINC000309100203 169127598 /nfs/dbraw/zinc/12/75/98/169127598.db2.gz GJMNNIMNHSUSID-RWMBFGLXSA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@H]1C[C@@H]1C ZINC000309100203 169127600 /nfs/dbraw/zinc/12/76/00/169127600.db2.gz GJMNNIMNHSUSID-RWMBFGLXSA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccncc1 ZINC000290390680 169156291 /nfs/dbraw/zinc/15/62/91/169156291.db2.gz ITXNYFXFDAOTMB-UHFFFAOYSA-N 2 1 235.375 2.245 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccncc1 ZINC000290390680 169156294 /nfs/dbraw/zinc/15/62/94/169156294.db2.gz ITXNYFXFDAOTMB-UHFFFAOYSA-N 2 1 235.375 2.245 20 0 BEADMP CCC[N@@H+](CCc1cccnc1)C1CC[NH2+]CC1 ZINC000063223630 169169830 /nfs/dbraw/zinc/16/98/30/169169830.db2.gz CUPHJANUAWZFBO-UHFFFAOYSA-N 2 1 247.386 2.088 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000353133622 169196031 /nfs/dbraw/zinc/19/60/31/169196031.db2.gz DXAMGRZRLDYHGQ-MGPQQGTHSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000353133622 169196032 /nfs/dbraw/zinc/19/60/32/169196032.db2.gz DXAMGRZRLDYHGQ-MGPQQGTHSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000336777787 169196073 /nfs/dbraw/zinc/19/60/73/169196073.db2.gz JOCCUCGXBOIXOO-AAVRWANBSA-N 2 1 224.392 2.495 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000336777787 169196076 /nfs/dbraw/zinc/19/60/76/169196076.db2.gz JOCCUCGXBOIXOO-AAVRWANBSA-N 2 1 224.392 2.495 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CC1 ZINC000336763191 169196575 /nfs/dbraw/zinc/19/65/75/169196575.db2.gz OPRAZUYDPKCOMN-DGCLKSJQSA-N 2 1 210.365 2.249 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CC1 ZINC000336763191 169196576 /nfs/dbraw/zinc/19/65/76/169196576.db2.gz OPRAZUYDPKCOMN-DGCLKSJQSA-N 2 1 210.365 2.249 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CC1 ZINC000336763193 169197355 /nfs/dbraw/zinc/19/73/55/169197355.db2.gz OPRAZUYDPKCOMN-WCQYABFASA-N 2 1 210.365 2.249 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CC1 ZINC000336763193 169197356 /nfs/dbraw/zinc/19/73/56/169197356.db2.gz OPRAZUYDPKCOMN-WCQYABFASA-N 2 1 210.365 2.249 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCCC2)C1 ZINC000076453756 169206181 /nfs/dbraw/zinc/20/61/81/169206181.db2.gz BUPFBXZFKMQSLA-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2occc2C)C1 ZINC000266197325 169206515 /nfs/dbraw/zinc/20/65/15/169206515.db2.gz KJNJTKWDROOPFE-ZDUSSCGKSA-N 2 1 236.359 2.410 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2occc2C)C1 ZINC000266197325 169206517 /nfs/dbraw/zinc/20/65/17/169206517.db2.gz KJNJTKWDROOPFE-ZDUSSCGKSA-N 2 1 236.359 2.410 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccncc2C)C1 ZINC000296599215 169207998 /nfs/dbraw/zinc/20/79/98/169207998.db2.gz YGGQFNCROPDQOX-CQSZACIVSA-N 2 1 247.386 2.212 20 0 BEADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280325854 169210905 /nfs/dbraw/zinc/21/09/05/169210905.db2.gz GZIULWRJHNMFMH-IYBDPMFKSA-N 2 1 244.382 2.460 20 0 BEADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280325854 169210906 /nfs/dbraw/zinc/21/09/06/169210906.db2.gz GZIULWRJHNMFMH-IYBDPMFKSA-N 2 1 244.382 2.460 20 0 BEADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280325854 169210907 /nfs/dbraw/zinc/21/09/07/169210907.db2.gz GZIULWRJHNMFMH-IYBDPMFKSA-N 2 1 244.382 2.460 20 0 BEADMP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cs1 ZINC000252672934 183352804 /nfs/dbraw/zinc/35/28/04/183352804.db2.gz FFZBLPQFCVXNSN-OLZOCXBDSA-N 2 1 236.384 2.465 20 0 BEADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cs1 ZINC000252672934 183352806 /nfs/dbraw/zinc/35/28/06/183352806.db2.gz FFZBLPQFCVXNSN-OLZOCXBDSA-N 2 1 236.384 2.465 20 0 BEADMP c1cc2c(s1)C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC000297427855 183373492 /nfs/dbraw/zinc/37/34/92/183373492.db2.gz OXCZMHGSJHCEEN-UHFFFAOYSA-N 2 1 236.384 2.106 20 0 BEADMP CCC[C@@H](C)[N@H+](C)CC[NH2+]C(C)(C)C ZINC000044381001 169364569 /nfs/dbraw/zinc/36/45/69/169364569.db2.gz PQLKKVSEWJLFIF-LLVKDONJSA-N 2 1 200.370 2.495 20 0 BEADMP CCC[C@@H](C)[N@@H+](C)CC[NH2+]C(C)(C)C ZINC000044381001 169364571 /nfs/dbraw/zinc/36/45/71/169364571.db2.gz PQLKKVSEWJLFIF-LLVKDONJSA-N 2 1 200.370 2.495 20 0 BEADMP CCC[C@@H](C)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000300215116 169357786 /nfs/dbraw/zinc/35/77/86/169357786.db2.gz KPBLXDDUQMBHBY-OLZOCXBDSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[C@@H](CC)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000125230886 169379786 /nfs/dbraw/zinc/37/97/86/169379786.db2.gz DOHFINOLJHAOKA-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000179239192 134318521 /nfs/dbraw/zinc/31/85/21/134318521.db2.gz IXKUXYOQJOSOBO-ZDUSSCGKSA-N 2 1 210.365 2.345 20 0 BEADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC000179239192 134318522 /nfs/dbraw/zinc/31/85/22/134318522.db2.gz IXKUXYOQJOSOBO-ZDUSSCGKSA-N 2 1 210.365 2.345 20 0 BEADMP CC[C@H](C)[C@@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001644099394 1172527238 /nfs/dbraw/zinc/52/72/38/1172527238.db2.gz PICIYNDEBMLFQJ-DGAVXFQQSA-N 2 1 224.392 2.305 20 0 BEADMP CC[C@H](C)[C@@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001644099394 1172527242 /nfs/dbraw/zinc/52/72/42/1172527242.db2.gz PICIYNDEBMLFQJ-DGAVXFQQSA-N 2 1 224.392 2.305 20 0 BEADMP CC[C@H](C)[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001644099394 1172527246 /nfs/dbraw/zinc/52/72/46/1172527246.db2.gz PICIYNDEBMLFQJ-DGAVXFQQSA-N 2 1 224.392 2.305 20 0 BEADMP CC(C)(C)CC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626399 383833282 /nfs/dbraw/zinc/83/32/82/383833282.db2.gz KMRQHWDTQAQZKV-GFCCVEGCSA-N 2 1 212.381 2.483 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000560110474 383908975 /nfs/dbraw/zinc/90/89/75/383908975.db2.gz AOLAXSFELNFMCO-MQYQWHSLSA-N 2 1 242.407 2.262 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+]CC1CCSCC1 ZINC000401732846 383882439 /nfs/dbraw/zinc/88/24/39/383882439.db2.gz DRWFSRNIXCFUOY-GFCCVEGCSA-N 2 1 244.448 2.450 20 0 BEADMP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)CS1 ZINC000336491083 384000837 /nfs/dbraw/zinc/00/08/37/384000837.db2.gz HHSJVJFDGRFHCW-CHWSQXEVSA-N 2 1 242.432 2.200 20 0 BEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCC(F)(F)F ZINC000070914867 383959532 /nfs/dbraw/zinc/95/95/32/383959532.db2.gz UUSXFYLDWDXHOQ-SECBINFHSA-N 2 1 224.270 2.142 20 0 BEADMP C[C@@H]([NH3+])C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000037390812 383974324 /nfs/dbraw/zinc/97/43/24/383974324.db2.gz XLBNTCSNXFUOGY-CYBMUJFWSA-N 2 1 232.371 2.288 20 0 BEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC000335846793 384003880 /nfs/dbraw/zinc/00/38/80/384003880.db2.gz BYWKOAZLGMNXHZ-KGLIPLIRSA-N 2 1 222.376 2.345 20 0 BEADMP Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546500 384015005 /nfs/dbraw/zinc/01/50/05/384015005.db2.gz PLXCYQDXWAHPKO-ZYHUDNBSSA-N 2 1 248.374 2.043 20 0 BEADMP Cc1cc(C)cc(C[NH2+]C2CC[NH+](C)CC2)c1 ZINC000037978970 384049786 /nfs/dbraw/zinc/04/97/86/384049786.db2.gz SRPWDRXLDHYCFS-UHFFFAOYSA-N 2 1 232.371 2.487 20 0 BEADMP CC[C@@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000336529251 384067937 /nfs/dbraw/zinc/06/79/37/384067937.db2.gz JPNFNRUQYHCZEX-GFCCVEGCSA-N 2 1 210.365 2.345 20 0 BEADMP CC(C)[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000163615912 384097767 /nfs/dbraw/zinc/09/77/67/384097767.db2.gz RRBARWFKRLEQNM-UONOGXRCSA-N 2 1 224.392 2.354 20 0 BEADMP [NH3+]CC[N@@H+]1CCC[C@H]1CCC1CCCC1 ZINC000569493188 384118988 /nfs/dbraw/zinc/11/89/88/384118988.db2.gz VPSXFZCLDUHZIH-ZDUSSCGKSA-N 2 1 210.365 2.380 20 0 BEADMP [NH3+]CC[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC000569493188 384118992 /nfs/dbraw/zinc/11/89/92/384118992.db2.gz VPSXFZCLDUHZIH-ZDUSSCGKSA-N 2 1 210.365 2.380 20 0 BEADMP C[N@@H+](Cc1cccc(O)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253836 384171155 /nfs/dbraw/zinc/17/11/55/384171155.db2.gz UIFCLCPHBLAKNX-CQSZACIVSA-N 2 1 248.370 2.166 20 0 BEADMP C[N@H+](Cc1cccc(O)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253836 384171163 /nfs/dbraw/zinc/17/11/63/384171163.db2.gz UIFCLCPHBLAKNX-CQSZACIVSA-N 2 1 248.370 2.166 20 0 BEADMP C[NH+](Cc1cccc(O)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253836 384171170 /nfs/dbraw/zinc/17/11/70/384171170.db2.gz UIFCLCPHBLAKNX-CQSZACIVSA-N 2 1 248.370 2.166 20 0 BEADMP C[NH+](Cc1cccc(O)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253836 384171177 /nfs/dbraw/zinc/17/11/77/384171177.db2.gz UIFCLCPHBLAKNX-CQSZACIVSA-N 2 1 248.370 2.166 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000163243120 384189813 /nfs/dbraw/zinc/18/98/13/384189813.db2.gz IIJKKCIRIWDQBE-WBMJQRKESA-N 2 1 244.382 2.344 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000163260263 384195488 /nfs/dbraw/zinc/19/54/88/384195488.db2.gz XINJRGVYNJBMMG-IUODEOHRSA-N 2 1 232.371 2.418 20 0 BEADMP C[N@H+](Cc1ccco1)CC1CC[NH+](C)CC1 ZINC000093088609 384210500 /nfs/dbraw/zinc/21/05/00/384210500.db2.gz XKNUASRDRUWVAN-UHFFFAOYSA-N 2 1 222.332 2.053 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000082645632 384254551 /nfs/dbraw/zinc/25/45/51/384254551.db2.gz YACRAAHCUORGQV-AAEUAGOBSA-N 2 1 210.365 2.236 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCc3ccccc3)C[C@H]21 ZINC000228471933 384257175 /nfs/dbraw/zinc/25/71/75/384257175.db2.gz JJPZCAXYXGHNLE-BZUAXINKSA-N 2 1 244.382 2.288 20 0 BEADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccn(C)c1 ZINC000093660008 384257766 /nfs/dbraw/zinc/25/77/66/384257766.db2.gz DURGPPWIKFIECY-HNNXBMFYSA-N 2 1 249.402 2.331 20 0 BEADMP Cn1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000093660008 384257772 /nfs/dbraw/zinc/25/77/72/384257772.db2.gz DURGPPWIKFIECY-HNNXBMFYSA-N 2 1 249.402 2.331 20 0 BEADMP Cn1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000093660008 384257779 /nfs/dbraw/zinc/25/77/79/384257779.db2.gz DURGPPWIKFIECY-HNNXBMFYSA-N 2 1 249.402 2.331 20 0 BEADMP Cn1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000093660008 384257784 /nfs/dbraw/zinc/25/77/84/384257784.db2.gz DURGPPWIKFIECY-HNNXBMFYSA-N 2 1 249.402 2.331 20 0 BEADMP Cn1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000093660008 384257790 /nfs/dbraw/zinc/25/77/90/384257790.db2.gz DURGPPWIKFIECY-HNNXBMFYSA-N 2 1 249.402 2.331 20 0 BEADMP C[N@@H+](CC1CCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000173791768 384263402 /nfs/dbraw/zinc/26/34/02/384263402.db2.gz MUWSTYFZMZBCRY-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP C[NH+](CC1CCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000173791768 384263409 /nfs/dbraw/zinc/26/34/09/384263409.db2.gz MUWSTYFZMZBCRY-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP C[NH+](CC1CCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000173791768 384263412 /nfs/dbraw/zinc/26/34/12/384263412.db2.gz MUWSTYFZMZBCRY-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP CC1(C)SC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000335585294 384349636 /nfs/dbraw/zinc/34/96/36/384349636.db2.gz MQBNASUGIKJKMO-LBPRGKRZSA-N 2 1 240.416 2.097 20 0 BEADMP CCC1CC([NH2+][C@@H]2CCc3[nH]cnc3C2)C1 ZINC000335599776 384370589 /nfs/dbraw/zinc/37/05/89/384370589.db2.gz SAYNHVGNNNTWOY-HSOILSAZSA-N 2 1 219.332 2.045 20 0 BEADMP C[N@@H+](CCCn1ccnc1)C1CCCC1 ZINC000120117834 384328938 /nfs/dbraw/zinc/32/89/38/384328938.db2.gz RLQLGYFEFTZGHD-UHFFFAOYSA-N 2 1 207.321 2.148 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000229060639 384414428 /nfs/dbraw/zinc/41/44/28/384414428.db2.gz CNHUWTXKMZMZPT-PWSUYJOCSA-N 2 1 238.400 2.473 20 0 BEADMP CC(C)C1([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000334195351 384389350 /nfs/dbraw/zinc/38/93/50/384389350.db2.gz KFACJIPGTSLVCL-OLZOCXBDSA-N 2 1 222.376 2.391 20 0 BEADMP c1cncc(C[NH2+]CCC[NH2+]C2CCCCC2)c1 ZINC000147751812 384451748 /nfs/dbraw/zinc/45/17/48/384451748.db2.gz JLICKLTYXGSGMS-UHFFFAOYSA-N 2 1 247.386 2.484 20 0 BEADMP CC[C@H](C)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000181134030 384456980 /nfs/dbraw/zinc/45/69/80/384456980.db2.gz NBMUDDKVYMFFPT-QWHCGFSZSA-N 2 1 212.381 2.449 20 0 BEADMP CC(C)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000036907725 384464324 /nfs/dbraw/zinc/46/43/24/384464324.db2.gz ZFIXXZSHKWLXSS-JHJVBQTASA-N 2 1 212.381 2.351 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CC=C(C)CC2)C1 ZINC000556816632 384504191 /nfs/dbraw/zinc/50/41/91/384504191.db2.gz FMIXTCSQHNRAQL-UONOGXRCSA-N 2 1 222.376 2.417 20 0 BEADMP C[N@@H+]1CCC[C@@H]1CNCc1cc(F)cc(F)c1 ZINC000160982390 384516175 /nfs/dbraw/zinc/51/61/75/384516175.db2.gz RGULHKCAVOWEQG-CYBMUJFWSA-N 2 1 240.297 2.149 20 0 BEADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)CCC(F)(F)F ZINC000643057515 384561287 /nfs/dbraw/zinc/56/12/87/384561287.db2.gz LREKDWNPPDKDJB-SNVBAGLBSA-N 2 1 238.297 2.260 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1C[NH3+] ZINC000306053641 384568574 /nfs/dbraw/zinc/56/85/74/384568574.db2.gz WXWNKODGXHLZMY-GRYCIOLGSA-N 2 1 246.345 2.339 20 0 BEADMP CC[C@@](C)(C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1)OC ZINC000319894243 384572798 /nfs/dbraw/zinc/57/27/98/384572798.db2.gz PJQSRSISNFXFPI-KGLIPLIRSA-N 2 1 242.407 2.121 20 0 BEADMP C(C1CCCCC1)[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643065748 384580688 /nfs/dbraw/zinc/58/06/88/384580688.db2.gz FRZCFKWPZVTQNQ-ZIAGYGMSSA-N 2 1 222.376 2.251 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000235846889 384633055 /nfs/dbraw/zinc/63/30/55/384633055.db2.gz TWKUKQTUFCUOBF-HNNXBMFYSA-N 2 1 232.371 2.474 20 0 BEADMP CC(C)COCC[N@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000315843988 384617513 /nfs/dbraw/zinc/61/75/13/384617513.db2.gz FTXRWCCOGYOQKM-MCIONIFRSA-N 2 1 242.407 2.107 20 0 BEADMP CC(C)COCC[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000315843988 384617517 /nfs/dbraw/zinc/61/75/17/384617517.db2.gz FTXRWCCOGYOQKM-MCIONIFRSA-N 2 1 242.407 2.107 20 0 BEADMP Cc1ccc(F)c(C[NH+]2CCC(C)([NH3+])CC2)c1 ZINC000647531402 384620502 /nfs/dbraw/zinc/62/05/02/384620502.db2.gz TZBZWPLUZWUIRT-UHFFFAOYSA-N 2 1 236.334 2.447 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC2(C(F)F)CC2)CC[N@H+]1C ZINC000309810339 384637408 /nfs/dbraw/zinc/63/74/08/384637408.db2.gz UAQJNIJKWHYLAO-NXEZZACHSA-N 2 1 232.318 2.104 20 0 BEADMP C[C@H](C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)C(C)(C)C ZINC000647533981 384646166 /nfs/dbraw/zinc/64/61/66/384646166.db2.gz CZDJFDPZPMTZOZ-AGIUHOORSA-N 2 1 224.392 2.352 20 0 BEADMP CC1CCC(C[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000647534785 384646556 /nfs/dbraw/zinc/64/65/56/384646556.db2.gz WDVFSMQVOQDHFZ-CVSAEHQPSA-N 2 1 236.403 2.497 20 0 BEADMP CC1CCC(C[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000647534785 384646561 /nfs/dbraw/zinc/64/65/61/384646561.db2.gz WDVFSMQVOQDHFZ-CVSAEHQPSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1nc(C)c([C@@H](C)[NH2+]CCC[NH+](C)C)s1 ZINC000082589209 384692012 /nfs/dbraw/zinc/69/20/12/384692012.db2.gz NYPLGRJHMDVKQO-SECBINFHSA-N 2 1 241.404 2.362 20 0 BEADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000082666635 384700309 /nfs/dbraw/zinc/70/03/09/384700309.db2.gz YICRVFXFCKIOTE-CQSZACIVSA-N 2 1 218.344 2.261 20 0 BEADMP CC(C)(C)CCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000300921861 384712986 /nfs/dbraw/zinc/71/29/86/384712986.db2.gz TZRQBFJFHFVKSN-CYBMUJFWSA-N 2 1 212.381 2.483 20 0 BEADMP C(C1CC1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544067 384715252 /nfs/dbraw/zinc/71/52/52/384715252.db2.gz VZNMMOGASAABMA-UONOGXRCSA-N 2 1 222.376 2.108 20 0 BEADMP Cc1sccc1C[NH2+]CCC[NH+](C)C ZINC000294114964 384720059 /nfs/dbraw/zinc/72/00/59/384720059.db2.gz NBPDIMLXOIUOPQ-UHFFFAOYSA-N 2 1 212.362 2.098 20 0 BEADMP Cc1ccsc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000125494416 384722549 /nfs/dbraw/zinc/72/25/49/384722549.db2.gz YQFBOLTZIWAPPZ-GFCCVEGCSA-N 2 1 238.400 2.440 20 0 BEADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCC12CCC2)C1CC1 ZINC000309967063 384744004 /nfs/dbraw/zinc/74/40/04/384744004.db2.gz NXFUZVNDZYRDMU-OLZOCXBDSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@H]1CCC[C@H](C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)C1 ZINC000220397031 384747254 /nfs/dbraw/zinc/74/72/54/384747254.db2.gz GXQFRDSJRVWWGQ-ZQDZILKHSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]([NH2+]CC[NH3+])C1CCC(C(F)(F)F)CC1 ZINC000423192542 384747288 /nfs/dbraw/zinc/74/72/88/384747288.db2.gz VVBBXHGWTWLJHV-XNWIYYODSA-N 2 1 238.297 2.292 20 0 BEADMP COc1cccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1F ZINC000647552066 384756146 /nfs/dbraw/zinc/75/61/46/384756146.db2.gz DJTIIOCOJPBACJ-ZJUUUORDSA-N 2 1 240.322 2.050 20 0 BEADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC000083328876 384758242 /nfs/dbraw/zinc/75/82/42/384758242.db2.gz HMEQPPDSBRYYKW-HUUCEWRRSA-N 2 1 230.355 2.118 20 0 BEADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H](C2CCC2)C1 ZINC000647552104 384758163 /nfs/dbraw/zinc/75/81/63/384758163.db2.gz FZNLMRMDFBMRQW-AWEZNQCLSA-N 2 1 222.376 2.108 20 0 BEADMP CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](CCC[NH3+])C1 ZINC000647552761 384762639 /nfs/dbraw/zinc/76/26/39/384762639.db2.gz VNDBGEMJNTYZRJ-QWHCGFSZSA-N 2 1 224.392 2.483 20 0 BEADMP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000011891299 384765752 /nfs/dbraw/zinc/76/57/52/384765752.db2.gz QIGPQZKPXZPTHC-NSHDSACASA-N 2 1 224.735 2.121 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000011891299 384765762 /nfs/dbraw/zinc/76/57/62/384765762.db2.gz QIGPQZKPXZPTHC-NSHDSACASA-N 2 1 224.735 2.121 20 0 BEADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(Cl)nc1 ZINC000126804758 384831731 /nfs/dbraw/zinc/83/17/31/384831731.db2.gz RARCZKCYJXBTKB-SNVBAGLBSA-N 2 1 241.766 2.337 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000105480763 384781710 /nfs/dbraw/zinc/78/17/10/384781710.db2.gz USHVXMRBOYUMRR-DZGCQCFKSA-N 2 1 232.371 2.425 20 0 BEADMP CC[N@H+](CC[NH2+]C(C)(C)C)CC(C)C ZINC000042302560 384784673 /nfs/dbraw/zinc/78/46/73/384784673.db2.gz JYUIUBQUQLIKFQ-UHFFFAOYSA-N 2 1 200.370 2.352 20 0 BEADMP CC[N@@H+](CC[NH2+]C(C)(C)C)CC(C)C ZINC000042302560 384784679 /nfs/dbraw/zinc/78/46/79/384784679.db2.gz JYUIUBQUQLIKFQ-UHFFFAOYSA-N 2 1 200.370 2.352 20 0 BEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C2CC2)C1 ZINC000247388233 384839234 /nfs/dbraw/zinc/83/92/34/384839234.db2.gz VKQGXOPBVUMMTB-OLZOCXBDSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000104424510 384851204 /nfs/dbraw/zinc/85/12/04/384851204.db2.gz RFFOXKXUQRKNFZ-HIFRSBDPSA-N 2 1 232.371 2.288 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(CC)OC)[C@@H](C)C1 ZINC000449474813 384920733 /nfs/dbraw/zinc/92/07/33/384920733.db2.gz KJFNBGKITQRKFO-MELADBBJSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000253484160 384921520 /nfs/dbraw/zinc/92/15/20/384921520.db2.gz FFDUQKCJNLQZQF-MDZLAQPJSA-N 2 1 204.317 2.169 20 0 BEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000253484160 384921529 /nfs/dbraw/zinc/92/15/29/384921529.db2.gz FFDUQKCJNLQZQF-MDZLAQPJSA-N 2 1 204.317 2.169 20 0 BEADMP C([NH2+]C1CC2(CCC2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000448062287 384924180 /nfs/dbraw/zinc/92/41/80/384924180.db2.gz APNDRGSUWXNBKW-LBPRGKRZSA-N 2 1 234.387 2.393 20 0 BEADMP C[NH+](C)CCC[NH2+][C@H]1CCc2c1cccc2F ZINC000149264577 384924210 /nfs/dbraw/zinc/92/42/10/384924210.db2.gz UJSRKVNUTQHOBP-AWEZNQCLSA-N 2 1 236.334 2.354 20 0 BEADMP CC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccoc2)C1 ZINC000087289885 384938883 /nfs/dbraw/zinc/93/88/83/384938883.db2.gz MFJGSSMDRUOYIC-RYUDHWBXSA-N 2 1 222.332 2.272 20 0 BEADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccoc2)C1 ZINC000087289885 384938891 /nfs/dbraw/zinc/93/88/91/384938891.db2.gz MFJGSSMDRUOYIC-RYUDHWBXSA-N 2 1 222.332 2.272 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccoc2)C1 ZINC000087289885 384938894 /nfs/dbraw/zinc/93/88/94/384938894.db2.gz MFJGSSMDRUOYIC-RYUDHWBXSA-N 2 1 222.332 2.272 20 0 BEADMP Cc1cnccc1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404265928 384964759 /nfs/dbraw/zinc/96/47/59/384964759.db2.gz HHTKPNIPEAPNGK-SWLSCSKDSA-N 2 1 247.386 2.339 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCCCO2)[C@H]1CC[NH3+] ZINC000404281179 384965666 /nfs/dbraw/zinc/96/56/66/384965666.db2.gz FAWRGGXLJSPLQP-MCIONIFRSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCCCO2)[C@@H]1CC[NH3+] ZINC000404281177 384966591 /nfs/dbraw/zinc/96/65/91/384966591.db2.gz FAWRGGXLJSPLQP-HZSPNIEDSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058041105 384979704 /nfs/dbraw/zinc/97/97/04/384979704.db2.gz IMUMZPSUQCFIOJ-TZMCWYRMSA-N 2 1 218.344 2.246 20 0 BEADMP Cc1ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)s1 ZINC000226437709 385022052 /nfs/dbraw/zinc/02/20/52/385022052.db2.gz AORCEYURGRJQLT-LBPRGKRZSA-N 2 1 238.400 2.488 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C2CC2)[C@H](C)C1 ZINC000177387016 384992342 /nfs/dbraw/zinc/99/23/42/384992342.db2.gz KAAVRKKGRUQBIK-NTZNESFSSA-N 2 1 210.365 2.105 20 0 BEADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000107954018 385013538 /nfs/dbraw/zinc/01/35/38/385013538.db2.gz LMXRJYXRGGDZGW-GXTWGEPZSA-N 2 1 248.370 2.254 20 0 BEADMP CCC(CC)[C@H](C[NH2+][C@H](C)CCC[NH3+])[NH+](C)C ZINC000310407738 385047973 /nfs/dbraw/zinc/04/79/73/385047973.db2.gz OKTAWDINEQQTMV-OCCSQVGLSA-N 3 1 243.439 2.070 20 0 BEADMP CCC(CC)[C@@H](C[NH2+][C@@H](C)CCC[NH3+])[NH+](C)C ZINC000310407228 385049501 /nfs/dbraw/zinc/04/95/01/385049501.db2.gz OKTAWDINEQQTMV-GXTWGEPZSA-N 3 1 243.439 2.070 20 0 BEADMP CCC(CC)[C@@H](C[NH2+][C@H](C)CCC[NH3+])[NH+](C)C ZINC000310407741 385049964 /nfs/dbraw/zinc/04/99/64/385049964.db2.gz OKTAWDINEQQTMV-TZMCWYRMSA-N 3 1 243.439 2.070 20 0 BEADMP C[C@@H](CNc1cc[nH+]cc1Cl)[NH+](C)C ZINC000086833076 385050323 /nfs/dbraw/zinc/05/03/23/385050323.db2.gz XYCUWMLMSBMSIL-QMMMGPOBSA-N 2 1 213.712 2.097 20 0 BEADMP Clc1c[nH+]ccc1NCCCn1ccnc1 ZINC000086833028 385051905 /nfs/dbraw/zinc/05/19/05/385051905.db2.gz WDXREVDZMDZYEB-UHFFFAOYSA-N 2 1 236.706 2.434 20 0 BEADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000340464312 385065896 /nfs/dbraw/zinc/06/58/96/385065896.db2.gz SPVKTRBFSQTGLH-LOWDOPEQSA-N 2 1 228.355 2.197 20 0 BEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000157114895 385076796 /nfs/dbraw/zinc/07/67/96/385076796.db2.gz LMVGBAQASXHWRH-KOLCDFICSA-N 2 1 240.297 2.134 20 0 BEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(F)cc(F)c1 ZINC000157114895 385076803 /nfs/dbraw/zinc/07/68/03/385076803.db2.gz LMVGBAQASXHWRH-KOLCDFICSA-N 2 1 240.297 2.134 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000157116245 385078514 /nfs/dbraw/zinc/07/85/14/385078514.db2.gz CZTNHRXIRRGYBT-VXGBXAGGSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)s1 ZINC000086701646 385040839 /nfs/dbraw/zinc/04/08/39/385040839.db2.gz OKRPJVPDGVOSBH-UHFFFAOYSA-N 2 1 238.400 2.488 20 0 BEADMP CC(C)(C)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309534337 385046849 /nfs/dbraw/zinc/04/68/49/385046849.db2.gz WSTVMHGCBFIROC-BETUJISGSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccnc1 ZINC000129735303 385185162 /nfs/dbraw/zinc/18/51/62/385185162.db2.gz YSVVBMFRVOOXIN-SGMGOOAPSA-N 2 1 233.359 2.215 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccnc1 ZINC000129735303 385185169 /nfs/dbraw/zinc/18/51/69/385185169.db2.gz YSVVBMFRVOOXIN-SGMGOOAPSA-N 2 1 233.359 2.215 20 0 BEADMP CC[NH+]1CCC([N@H+](C)CCc2ccccn2)CC1 ZINC000157470461 385188313 /nfs/dbraw/zinc/18/83/13/385188313.db2.gz ZGAIRGYDMREWIE-UHFFFAOYSA-N 2 1 247.386 2.040 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)CCc2ccccn2)CC1 ZINC000157470461 385188319 /nfs/dbraw/zinc/18/83/19/385188319.db2.gz ZGAIRGYDMREWIE-UHFFFAOYSA-N 2 1 247.386 2.040 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C2CCC2)C1 ZINC000178184966 385194252 /nfs/dbraw/zinc/19/42/52/385194252.db2.gz VIUJXJAPEZGCBH-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)C1CCC1 ZINC000178231668 385213337 /nfs/dbraw/zinc/21/33/37/385213337.db2.gz JCJIFHNONZRQMB-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)C1CCC1 ZINC000178231668 385213340 /nfs/dbraw/zinc/21/33/40/385213340.db2.gz JCJIFHNONZRQMB-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000308840068 385213957 /nfs/dbraw/zinc/21/39/57/385213957.db2.gz JRNMQYZXWATVMF-RYUDHWBXSA-N 2 1 230.421 2.058 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000308840068 385213964 /nfs/dbraw/zinc/21/39/64/385213964.db2.gz JRNMQYZXWATVMF-RYUDHWBXSA-N 2 1 230.421 2.058 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCC2CC2)[C@@H](C)C1 ZINC000222091284 385215369 /nfs/dbraw/zinc/21/53/69/385215369.db2.gz RSXUKPMYRCLOON-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCCC2CC2)[C@@H](C)C1 ZINC000222091336 385215387 /nfs/dbraw/zinc/21/53/87/385215387.db2.gz RSXUKPMYRCLOON-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1C[C@H]1C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000449781102 385223217 /nfs/dbraw/zinc/22/32/17/385223217.db2.gz ZJANKWUNBSAPOM-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCC12CCCCC2 ZINC000313037798 385230205 /nfs/dbraw/zinc/23/02/05/385230205.db2.gz VGVBEDHRRHULNU-RYUDHWBXSA-N 2 1 210.365 2.426 20 0 BEADMP CSCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000068997598 385240142 /nfs/dbraw/zinc/24/01/42/385240142.db2.gz IFWHOFPJBVBQDS-IJLUTSLNSA-N 2 1 230.421 2.058 20 0 BEADMP C[C@@H]([NH2+]CC[NH3+])c1ccc2c(c1)CCCC2 ZINC000037712697 385269775 /nfs/dbraw/zinc/26/97/75/385269775.db2.gz UUZIKCGCAXMMHB-LLVKDONJSA-N 2 1 218.344 2.175 20 0 BEADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@@H](C[NH3+])C2)C1 ZINC000647490855 385281556 /nfs/dbraw/zinc/28/15/56/385281556.db2.gz VOCAWENLJACLBV-STQMWFEESA-N 2 1 224.392 2.483 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCC1 ZINC000178476283 385283782 /nfs/dbraw/zinc/28/37/82/385283782.db2.gz CJIGTKNNNJPPFC-LLVKDONJSA-N 2 1 222.376 2.391 20 0 BEADMP CC(C)c1[nH+]ccn1CC[C@@H]1CCC[NH2+]C1 ZINC000051919837 385291169 /nfs/dbraw/zinc/29/11/69/385291169.db2.gz GOVPFXQHISKXDS-LBPRGKRZSA-N 2 1 221.348 2.396 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C2CCC2)[C@H]2CCC[C@@H]21 ZINC000308924844 385296459 /nfs/dbraw/zinc/29/64/59/385296459.db2.gz HXXNZNYTIBFCLI-AGIUHOORSA-N 2 1 208.349 2.001 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1F ZINC000228150108 385349568 /nfs/dbraw/zinc/34/95/68/385349568.db2.gz MQTZHKYWUQRDSI-WCQYABFASA-N 2 1 236.334 2.303 20 0 BEADMP Cc1c[nH+]ccc1NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000359478834 385370784 /nfs/dbraw/zinc/37/07/84/385370784.db2.gz GHVYGMONLJANBK-OKILXGFUSA-N 2 1 247.386 2.487 20 0 BEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CC1(C)C ZINC000309017187 385371256 /nfs/dbraw/zinc/37/12/56/385371256.db2.gz UWRHPWDTHAZJAK-JQWIXIFHSA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)OCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000180456019 385390801 /nfs/dbraw/zinc/39/08/01/385390801.db2.gz WPXOVBAQPRWDRA-ZIAGYGMSSA-N 2 1 242.407 2.264 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+]C[C@H]1CCSC1 ZINC000309035243 385381821 /nfs/dbraw/zinc/38/18/21/385381821.db2.gz HRWGPACJVISMTG-VXGBXAGGSA-N 2 1 230.421 2.059 20 0 BEADMP C[C@@H]1CC[C@H](C[N@H+]2[C@@H](C)[C@@H](C)CC[C@H]2C[NH3+])O1 ZINC000316782768 385328231 /nfs/dbraw/zinc/32/82/31/385328231.db2.gz FBRJGVVEWVAFTI-ZUWCUPBKSA-N 2 1 240.391 2.002 20 0 BEADMP C[C@@H]1CC[C@H](C[N@@H+]2[C@@H](C)[C@@H](C)CC[C@H]2C[NH3+])O1 ZINC000316782768 385328235 /nfs/dbraw/zinc/32/82/35/385328235.db2.gz FBRJGVVEWVAFTI-ZUWCUPBKSA-N 2 1 240.391 2.002 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000309058780 385395823 /nfs/dbraw/zinc/39/58/23/385395823.db2.gz VPCPDWVNWCZAPI-UMSGYPCISA-N 2 1 212.381 2.351 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC2(C3CC3)CC2)CC[N@H+]1C ZINC000181654273 385412179 /nfs/dbraw/zinc/41/21/79/385412179.db2.gz XFYIUYVTOMURKT-YPMHNXCESA-N 2 1 222.376 2.249 20 0 BEADMP COC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000302510577 385534832 /nfs/dbraw/zinc/53/48/32/385534832.db2.gz VCUVECROUXEYJS-XQQFMLRXSA-N 2 1 240.391 2.016 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCOC ZINC000336730493 385545505 /nfs/dbraw/zinc/54/55/05/385545505.db2.gz IJAOPMOGTVRULG-OLZOCXBDSA-N 2 1 230.396 2.121 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCOC ZINC000336730493 385545507 /nfs/dbraw/zinc/54/55/07/385545507.db2.gz IJAOPMOGTVRULG-OLZOCXBDSA-N 2 1 230.396 2.121 20 0 BEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(O)c1 ZINC000282222747 385525755 /nfs/dbraw/zinc/52/57/55/385525755.db2.gz ICCRKDAFGJJIIS-LBPRGKRZSA-N 2 1 246.354 2.305 20 0 BEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(O)c1 ZINC000282222745 385526874 /nfs/dbraw/zinc/52/68/74/385526874.db2.gz ICCRKDAFGJJIIS-GFCCVEGCSA-N 2 1 246.354 2.305 20 0 BEADMP COC1(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)CCCC1 ZINC000318932274 385527182 /nfs/dbraw/zinc/52/71/82/385527182.db2.gz ANVVYQUHFWOLFB-CHWSQXEVSA-N 2 1 240.391 2.005 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1 ZINC000107785202 385584198 /nfs/dbraw/zinc/58/41/98/385584198.db2.gz YPCNYXVGEVQRDO-AAEUAGOBSA-N 2 1 206.333 2.321 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1C ZINC000336678954 385622487 /nfs/dbraw/zinc/62/24/87/385622487.db2.gz QRNIFRRBNOFACW-GYSYKLTISA-N 2 1 222.376 2.247 20 0 BEADMP COc1cccc(C[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000414849866 385628086 /nfs/dbraw/zinc/62/80/86/385628086.db2.gz XZFALHOSCZSGMO-UHFFFAOYSA-N 2 1 248.370 2.446 20 0 BEADMP C1=CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000334782897 385633551 /nfs/dbraw/zinc/63/35/51/385633551.db2.gz GTYXTTFHPJMXGJ-GFCCVEGCSA-N 2 1 220.360 2.312 20 0 BEADMP Cc1cc[nH+]c(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000251000136 385613391 /nfs/dbraw/zinc/61/33/91/385613391.db2.gz VYTDINQWXPKYPK-STQMWFEESA-N 2 1 231.343 2.429 20 0 BEADMP Cc1cc[nH+]c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000251000136 385613399 /nfs/dbraw/zinc/61/33/99/385613399.db2.gz VYTDINQWXPKYPK-STQMWFEESA-N 2 1 231.343 2.429 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)CC[N@@H+]1C ZINC000309506156 385643495 /nfs/dbraw/zinc/64/34/95/385643495.db2.gz VYDBCQQQKYKDHO-FMKGYKFTSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)CC[N@H+]1C ZINC000309506156 385643499 /nfs/dbraw/zinc/64/34/99/385643499.db2.gz VYDBCQQQKYKDHO-FMKGYKFTSA-N 2 1 222.376 2.247 20 0 BEADMP CCCC[N@@H+](CC)CCCn1ccnc1 ZINC000182616789 385688666 /nfs/dbraw/zinc/68/86/66/385688666.db2.gz OTNXERFQTFYLJG-UHFFFAOYSA-N 2 1 209.337 2.395 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CC1 ZINC000337499538 385692499 /nfs/dbraw/zinc/69/24/99/385692499.db2.gz ZWSMXLUAFGRHPV-KFWWJZLASA-N 2 1 234.387 2.417 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)C1CC1 ZINC000309576756 385709317 /nfs/dbraw/zinc/70/93/17/385709317.db2.gz PEBXKBQERWLNBE-SCUASFONSA-N 2 1 222.376 2.247 20 0 BEADMP CCC[C@@]1(C)CCC[N@@H+](CCC[NH2+]C)C1 ZINC000336689184 385711374 /nfs/dbraw/zinc/71/13/74/385711374.db2.gz VVNGFTPPEGITOQ-ZDUSSCGKSA-N 2 1 212.381 2.498 20 0 BEADMP C[NH2+]CCC[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000414857452 385730370 /nfs/dbraw/zinc/73/03/70/385730370.db2.gz DKAZQGICIATDHL-UHFFFAOYSA-N 2 1 236.290 2.271 20 0 BEADMP C[NH2+]CCC[NH2+]Cc1cnc(CC(C)C)s1 ZINC000414858234 385734754 /nfs/dbraw/zinc/73/47/54/385734754.db2.gz IGTLEFYQFRGRKD-UHFFFAOYSA-N 2 1 241.404 2.041 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(C)CC1 ZINC000309614710 385744647 /nfs/dbraw/zinc/74/46/47/385744647.db2.gz CLWFYWVLRCXZFW-UHFFFAOYSA-N 2 1 219.332 2.037 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCC2CC2)C1 ZINC000186255279 385753002 /nfs/dbraw/zinc/75/30/02/385753002.db2.gz HRAVQMJECHFJET-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP C(C[NH2+][C@H]1CC[NH2+]C1)CC1CCCCC1 ZINC000414863491 385758432 /nfs/dbraw/zinc/75/84/32/385758432.db2.gz ASZXZDVFHZRMMM-ZDUSSCGKSA-N 2 1 210.365 2.298 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+]1CCCC1CCCC1 ZINC000336654236 385722412 /nfs/dbraw/zinc/72/24/12/385722412.db2.gz GNGHDXWWOPAGDT-CYBMUJFWSA-N 2 1 210.365 2.380 20 0 BEADMP [NH3+]C[C@H]1CCC[N@H+]1CCCC1CCCC1 ZINC000336654236 385722416 /nfs/dbraw/zinc/72/24/16/385722416.db2.gz GNGHDXWWOPAGDT-CYBMUJFWSA-N 2 1 210.365 2.380 20 0 BEADMP CC(C)Cc1ccc(C[NH2+][C@@H](C)C[NH3+])cc1 ZINC000414948070 385804702 /nfs/dbraw/zinc/80/47/02/385804702.db2.gz WQPLVTKPZVNTGL-LBPRGKRZSA-N 2 1 220.360 2.322 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](CC)OC)C1 ZINC000412980643 385817300 /nfs/dbraw/zinc/81/73/00/385817300.db2.gz YGWANZQDIVXTOH-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](CC)OC)C1 ZINC000412980643 385817304 /nfs/dbraw/zinc/81/73/04/385817304.db2.gz YGWANZQDIVXTOH-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP C[C@@H]([NH2+]C1(c2ccccc2F)CCC1)C1C[NH2+]C1 ZINC000647802033 385833165 /nfs/dbraw/zinc/83/31/65/385833165.db2.gz BZQXGPRMKHGITI-LLVKDONJSA-N 2 1 248.345 2.402 20 0 BEADMP C[C@H](CNc1cc[nH+]cc1Cl)C[NH+](C)C ZINC000291929530 385835484 /nfs/dbraw/zinc/83/54/84/385835484.db2.gz SBBHGMZWEUDCIG-SECBINFHSA-N 2 1 227.739 2.345 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1CCC(F)CC1 ZINC000647804149 385840506 /nfs/dbraw/zinc/84/05/06/385840506.db2.gz KNNSCTACUVQZSB-IKWCTNDRSA-N 2 1 228.355 2.102 20 0 BEADMP C[NH+]1CCC([NH2+]CC(C)(C)c2ccccn2)CC1 ZINC000294721776 385888057 /nfs/dbraw/zinc/88/80/57/385888057.db2.gz FMBPUUYUMFNPOC-UHFFFAOYSA-N 2 1 247.386 2.043 20 0 BEADMP C[N@@H+](CCC[NH3+])[C@@H]1CCc2ccc(F)cc21 ZINC000647848135 385898866 /nfs/dbraw/zinc/89/88/66/385898866.db2.gz GWYUJSAEMWXGHA-CYBMUJFWSA-N 2 1 222.307 2.094 20 0 BEADMP CC(C)CC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000123706616 385904842 /nfs/dbraw/zinc/90/48/42/385904842.db2.gz XXAAOWPQSJOXJT-LBPRGKRZSA-N 2 1 200.370 2.338 20 0 BEADMP FC1(F)CC(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000334492159 385908601 /nfs/dbraw/zinc/90/86/01/385908601.db2.gz FCEYWOREDMHCNS-RYUDHWBXSA-N 2 1 244.329 2.248 20 0 BEADMP Cc1ccc(CN2CC[C@@H]3CC[N@H+](C)C[C@@H]32)o1 ZINC000272544116 385910137 /nfs/dbraw/zinc/91/01/37/385910137.db2.gz CGCXPEIMNBVDPR-JSGCOSHPSA-N 2 1 234.343 2.114 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C)C[C@@H]32)o1 ZINC000272544116 385910141 /nfs/dbraw/zinc/91/01/41/385910141.db2.gz CGCXPEIMNBVDPR-JSGCOSHPSA-N 2 1 234.343 2.114 20 0 BEADMP CC[NH+](CC)CCC[NH2+]Cc1ccncc1C ZINC000294933638 385919044 /nfs/dbraw/zinc/91/90/44/385919044.db2.gz CFMIBULZRWHAHM-UHFFFAOYSA-N 2 1 235.375 2.212 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](C)CC(C)C ZINC000338232506 385922902 /nfs/dbraw/zinc/92/29/02/385922902.db2.gz FXXSTZOTZDTJOQ-UHFFFAOYSA-N 2 1 200.370 2.306 20 0 BEADMP CSc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000342096221 385926857 /nfs/dbraw/zinc/92/68/57/385926857.db2.gz GWTSBKPADLWGSU-UHFFFAOYSA-N 2 1 236.384 2.380 20 0 BEADMP CC[C@H](C[NH2+]C[C@@H]1C[C@H]1C)[NH+]1CCCC1 ZINC000336741656 385867466 /nfs/dbraw/zinc/86/74/66/385867466.db2.gz VYDUXGNLDQENJE-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP c1ccc(CC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814213 385868989 /nfs/dbraw/zinc/86/89/89/385868989.db2.gz CVUFZEPQDBGRCL-UHFFFAOYSA-N 2 1 244.382 2.446 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000337990054 385869995 /nfs/dbraw/zinc/86/99/95/385869995.db2.gz SCMPCQRTMJSBTG-LSDHHAIUSA-N 2 1 234.387 2.417 20 0 BEADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccsc1 ZINC000335040559 385933588 /nfs/dbraw/zinc/93/35/88/385933588.db2.gz RPZIPYQOJUHAIK-NWDGAFQWSA-N 2 1 224.373 2.498 20 0 BEADMP CC(C)([NH3+])C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000335042302 385935330 /nfs/dbraw/zinc/93/53/30/385935330.db2.gz JVVSFPVFZJSQQN-LBPRGKRZSA-N 2 1 222.307 2.140 20 0 BEADMP Cc1ccc(F)cc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000291742466 385935744 /nfs/dbraw/zinc/93/57/44/385935744.db2.gz PBONNNWXAZLDLT-LLVKDONJSA-N 2 1 238.350 2.421 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2ccc3ncccc3c2)CCC1 ZINC000414878228 385936898 /nfs/dbraw/zinc/93/68/98/385936898.db2.gz GTRNXRLXUKWODI-UHFFFAOYSA-N 2 1 241.338 2.206 20 0 BEADMP Cc1cc(C)cc(C[NH2+]CC2([NH3+])CCC2)c1 ZINC000342173064 385939414 /nfs/dbraw/zinc/93/94/14/385939414.db2.gz TVIIQVYQKQWGQK-UHFFFAOYSA-N 2 1 218.344 2.274 20 0 BEADMP CC[C@H](C)C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414879515 385940766 /nfs/dbraw/zinc/94/07/66/385940766.db2.gz OVVJHXDQUJJHKZ-ZDUSSCGKSA-N 2 1 235.375 2.197 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000414067634 385944754 /nfs/dbraw/zinc/94/47/54/385944754.db2.gz JDLRBWCGZFAQJF-WZRBSPASSA-N 2 1 221.348 2.216 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000414078743 385949200 /nfs/dbraw/zinc/94/92/00/385949200.db2.gz REOUOEPHOUOBIF-BYNQJWBRSA-N 2 1 235.375 2.462 20 0 BEADMP Cc1cccc(C[NH2+]CC2([NH3+])CCC2)c1C ZINC000414879759 385956343 /nfs/dbraw/zinc/95/63/43/385956343.db2.gz IURFFQQJZALYSZ-UHFFFAOYSA-N 2 1 218.344 2.274 20 0 BEADMP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(F)cc1Cl ZINC000220530118 385967588 /nfs/dbraw/zinc/96/75/88/385967588.db2.gz JQFQGJNQDUKPTA-QMMMGPOBSA-N 2 1 230.714 2.306 20 0 BEADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000338317971 385968016 /nfs/dbraw/zinc/96/80/16/385968016.db2.gz SQCGPGQTAWJKHW-BETUJISGSA-N 2 1 224.392 2.306 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(Cl)cc1C ZINC000414974078 386004788 /nfs/dbraw/zinc/00/47/88/386004788.db2.gz CXVQQZYATCKZEK-GFCCVEGCSA-N 2 1 226.751 2.475 20 0 BEADMP CC[C@H]1CCC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000336751135 386007006 /nfs/dbraw/zinc/00/70/06/386007006.db2.gz ZYWIEDVXTSBOBJ-AAEUAGOBSA-N 2 1 221.348 2.131 20 0 BEADMP C[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)[C@H]1CC1(C)C ZINC000336752168 386014892 /nfs/dbraw/zinc/01/48/92/386014892.db2.gz VMWUBNSQXOILQV-UHTWSYAYSA-N 2 1 224.392 2.351 20 0 BEADMP Cc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)nc1 ZINC000334428601 386036416 /nfs/dbraw/zinc/03/64/16/386036416.db2.gz SQGWDTAKIKYWNR-HIFRSBDPSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)nc1 ZINC000334428601 386036422 /nfs/dbraw/zinc/03/64/22/386036422.db2.gz SQGWDTAKIKYWNR-HIFRSBDPSA-N 2 1 247.386 2.162 20 0 BEADMP C[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@@H]1C[C@H]1C ZINC000414157056 386042590 /nfs/dbraw/zinc/04/25/90/386042590.db2.gz XGIWUFRNALTLKW-FRRDWIJNSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@@H]1C[C@H]1C ZINC000414157056 386042599 /nfs/dbraw/zinc/04/25/99/386042599.db2.gz XGIWUFRNALTLKW-FRRDWIJNSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(Cl)c1 ZINC000414980559 386054429 /nfs/dbraw/zinc/05/44/29/386054429.db2.gz PQMSPAIJIJYDRX-LLVKDONJSA-N 2 1 212.724 2.167 20 0 BEADMP COC1([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CCC1 ZINC000414311377 386113255 /nfs/dbraw/zinc/11/32/55/386113255.db2.gz UTHUOCRNJRNUCL-AGIUHOORSA-N 2 1 240.391 2.016 20 0 BEADMP COC1([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000414311377 386113262 /nfs/dbraw/zinc/11/32/62/386113262.db2.gz UTHUOCRNJRNUCL-AGIUHOORSA-N 2 1 240.391 2.016 20 0 BEADMP Cc1cc(C)cc(C[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000414889337 386115017 /nfs/dbraw/zinc/11/50/17/386115017.db2.gz GGMATYNYHUTAGQ-CQSZACIVSA-N 2 1 218.344 2.130 20 0 BEADMP CN(CC[N@@H+](C)C1CC1)c1nc2ccccc2[nH]1 ZINC000274534354 386115224 /nfs/dbraw/zinc/11/52/24/386115224.db2.gz ZJZAAZXXVXHAGJ-UHFFFAOYSA-N 2 1 244.342 2.093 20 0 BEADMP Cc1ccncc1CCC[N@H+](C(C)C)C1COC1 ZINC000296019509 386124141 /nfs/dbraw/zinc/12/41/41/386124141.db2.gz MGHZRJNAOUDZCS-UHFFFAOYSA-N 2 1 248.370 2.432 20 0 BEADMP COCC[C@H](C)[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000345207517 386060285 /nfs/dbraw/zinc/06/02/85/386060285.db2.gz KXWSPQJEBJXKCR-MELADBBJSA-N 2 1 242.407 2.264 20 0 BEADMP COCC[C@H](C)[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000345207517 386060294 /nfs/dbraw/zinc/06/02/94/386060294.db2.gz KXWSPQJEBJXKCR-MELADBBJSA-N 2 1 242.407 2.264 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CC1 ZINC000336753637 386068911 /nfs/dbraw/zinc/06/89/11/386068911.db2.gz FGQVXDBHYSUMOL-BNOWGMLFSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1F ZINC000414280087 386092417 /nfs/dbraw/zinc/09/24/17/386092417.db2.gz BYRGRJHGFINFQL-QNWHQSFQSA-N 2 1 228.355 2.197 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1F ZINC000414280087 386092420 /nfs/dbraw/zinc/09/24/20/386092420.db2.gz BYRGRJHGFINFQL-QNWHQSFQSA-N 2 1 228.355 2.197 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c(C)c2)C1 ZINC000274358462 386094442 /nfs/dbraw/zinc/09/44/42/386094442.db2.gz MLEXVUVMIOPWAP-ZDUSSCGKSA-N 2 1 233.359 2.168 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000414984516 386095399 /nfs/dbraw/zinc/09/53/99/386095399.db2.gz UXTMLCPJWVWOGK-ITDFMYJTSA-N 2 1 222.307 2.166 20 0 BEADMP Cc1cccc([C@@H]2CCC[N@H+]2CCC[NH3+])c1 ZINC000414681601 386163244 /nfs/dbraw/zinc/16/32/44/386163244.db2.gz WCGKQCSRCIJTEW-AWEZNQCLSA-N 2 1 218.344 2.481 20 0 BEADMP [NH3+]CCC[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000414682668 386165997 /nfs/dbraw/zinc/16/59/97/386165997.db2.gz ADVHRYYXIVOZSD-AWEZNQCLSA-N 2 1 236.334 2.181 20 0 BEADMP CCOC[C@H]1CCC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414686904 386177242 /nfs/dbraw/zinc/17/72/42/386177242.db2.gz BTGZDVDHGUWMHF-UONOGXRCSA-N 2 1 242.407 2.108 20 0 BEADMP CCOC[C@H]1CCC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414686904 386177246 /nfs/dbraw/zinc/17/72/46/386177246.db2.gz BTGZDVDHGUWMHF-UONOGXRCSA-N 2 1 242.407 2.108 20 0 BEADMP CC(C)Oc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000414895321 386185309 /nfs/dbraw/zinc/18/53/09/386185309.db2.gz NAMCHBRDVVYNKK-OAHLLOKOSA-N 2 1 248.370 2.301 20 0 BEADMP C[C@H]1C[N@H+](C)C[C@@H]1NC1(c2ccc(F)cc2)CC1 ZINC000334466106 386127237 /nfs/dbraw/zinc/12/72/37/386127237.db2.gz CYSUPIYGPNLAMM-FZMZJTMJSA-N 2 1 248.345 2.355 20 0 BEADMP C[C@H]1C[N@@H+](C)C[C@@H]1NC1(c2ccc(F)cc2)CC1 ZINC000334466106 386127241 /nfs/dbraw/zinc/12/72/41/386127241.db2.gz CYSUPIYGPNLAMM-FZMZJTMJSA-N 2 1 248.345 2.355 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cncc(C)c1 ZINC000274638440 386134908 /nfs/dbraw/zinc/13/49/08/386134908.db2.gz SUWREVIFPGEIEB-LBPRGKRZSA-N 2 1 244.342 2.246 20 0 BEADMP CCC([NH3+])(CC)CNc1[nH]c2ccccc2[nH+]1 ZINC000130054120 386135970 /nfs/dbraw/zinc/13/59/70/386135970.db2.gz ABIIYROTIDEPRT-UHFFFAOYSA-N 2 1 232.331 2.492 20 0 BEADMP CCc1cc(NCC([NH3+])(CC)CC)nc(C)[nH+]1 ZINC000130098128 386136415 /nfs/dbraw/zinc/13/64/15/386136415.db2.gz IGXCDLLNHSHYHD-UHFFFAOYSA-N 2 1 236.363 2.277 20 0 BEADMP C[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000647874666 386143831 /nfs/dbraw/zinc/14/38/31/386143831.db2.gz KUMBBEGGYWAXCY-WFASDCNBSA-N 2 1 230.355 2.215 20 0 BEADMP Cc1cccc(C[NH2+]C[C@@H]([NH3+])C2CC2)c1C ZINC000414896546 386204808 /nfs/dbraw/zinc/20/48/08/386204808.db2.gz PHKBIGHZWABHIC-CQSZACIVSA-N 2 1 218.344 2.130 20 0 BEADMP CCCC[N@H+](CCOC)C[C@@H]([NH3+])CC(C)C ZINC000414700579 386207340 /nfs/dbraw/zinc/20/73/40/386207340.db2.gz TWRQWCZTUGHAKT-ZDUSSCGKSA-N 2 1 230.396 2.108 20 0 BEADMP CCCC[N@@H+](CCOC)C[C@@H]([NH3+])CC(C)C ZINC000414700579 386207344 /nfs/dbraw/zinc/20/73/44/386207344.db2.gz TWRQWCZTUGHAKT-ZDUSSCGKSA-N 2 1 230.396 2.108 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000647882003 386218652 /nfs/dbraw/zinc/21/86/52/386218652.db2.gz ARCYLVWUUCBSHD-AWEZNQCLSA-N 2 1 234.343 2.139 20 0 BEADMP CCC[N@@H+](CCC[NH3+])CCc1cccc(F)c1 ZINC000414706478 386218806 /nfs/dbraw/zinc/21/88/06/386218806.db2.gz XWJJPIZJBANKOL-UHFFFAOYSA-N 2 1 238.350 2.429 20 0 BEADMP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339066399 386231718 /nfs/dbraw/zinc/23/17/18/386231718.db2.gz BZKLPLKIBXGSBJ-BPLDGKMQSA-N 2 1 248.370 2.427 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1C ZINC000415001906 386235130 /nfs/dbraw/zinc/23/51/30/386235130.db2.gz CQLKYXOUBMXFQV-OLZOCXBDSA-N 2 1 220.360 2.437 20 0 BEADMP C[C@@H]([NH2+]C/C=C/c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000415002056 386237656 /nfs/dbraw/zinc/23/76/56/386237656.db2.gz DEWLOWZHRGLKPA-MJKAUQOVSA-N 2 1 222.307 2.164 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414716427 386238669 /nfs/dbraw/zinc/23/86/69/386238669.db2.gz XWIZKGBXHVGLFA-NDBYEHHHSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)C1CC1 ZINC000125278097 386240788 /nfs/dbraw/zinc/24/07/88/386240788.db2.gz TVVQSASDSABEOW-LLVKDONJSA-N 2 1 210.365 2.249 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000347084548 386242903 /nfs/dbraw/zinc/24/29/03/386242903.db2.gz AQRHTURSQQOLON-FYDYADQUSA-N 2 1 234.318 2.120 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCOC ZINC000336730491 386244993 /nfs/dbraw/zinc/24/49/93/386244993.db2.gz IJAOPMOGTVRULG-CHWSQXEVSA-N 2 1 230.396 2.121 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCOC ZINC000336730491 386245000 /nfs/dbraw/zinc/24/50/00/386245000.db2.gz IJAOPMOGTVRULG-CHWSQXEVSA-N 2 1 230.396 2.121 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC23CCC3)CC[N@@H+]1C ZINC000336742861 386251391 /nfs/dbraw/zinc/25/13/91/386251391.db2.gz ORCZDNJNZWHDPL-JHJVBQTASA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC23CCC3)CC[N@H+]1C ZINC000336742861 386251395 /nfs/dbraw/zinc/25/13/95/386251395.db2.gz ORCZDNJNZWHDPL-JHJVBQTASA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+]CCC1CCOCC1 ZINC000310531199 386195732 /nfs/dbraw/zinc/19/57/32/386195732.db2.gz ZHYQZXLSVYTFQT-ZDUSSCGKSA-N 2 1 242.407 2.123 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+]CCC1CCOCC1 ZINC000310531199 386195738 /nfs/dbraw/zinc/19/57/38/386195738.db2.gz ZHYQZXLSVYTFQT-ZDUSSCGKSA-N 2 1 242.407 2.123 20 0 BEADMP CCc1nc(N2CCCC[C@@H]2CC[NH3+])cc(C)[nH+]1 ZINC000310756013 386282253 /nfs/dbraw/zinc/28/22/53/386282253.db2.gz JTDMAWHABRSHLT-GFCCVEGCSA-N 2 1 248.374 2.055 20 0 BEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC000336666801 386293422 /nfs/dbraw/zinc/29/34/22/386293422.db2.gz LHAIIHWPAULLAW-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@H]1Cc2ccccc2C[N@H+]1CCC[NH3+] ZINC000414735075 386309011 /nfs/dbraw/zinc/30/90/11/386309011.db2.gz FONHTJUGFVQVLM-AWEZNQCLSA-N 2 1 218.344 2.172 20 0 BEADMP Cc1ccncc1C[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414738291 386317040 /nfs/dbraw/zinc/31/70/40/386317040.db2.gz JAWYYYCAMWOYLV-KGLIPLIRSA-N 2 1 247.386 2.210 20 0 BEADMP CC1(C)C[N@@H+](C[C@H]2CC[NH2+]C2)Cc2ccccc21 ZINC000647988843 386322207 /nfs/dbraw/zinc/32/22/07/386322207.db2.gz VYDGXKNZFHPHMZ-ZDUSSCGKSA-N 2 1 244.382 2.389 20 0 BEADMP C[C@H]1c2ccccc2CC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647884445 386263388 /nfs/dbraw/zinc/26/33/88/386263388.db2.gz QKNNKCOMESBINQ-QWHCGFSZSA-N 2 1 230.355 2.215 20 0 BEADMP C[C@@H]1C[C@@H](C[N@@H+](C)[C@H]2CC2(C)C)CC[NH2+]1 ZINC000414741523 386324101 /nfs/dbraw/zinc/32/41/01/386324101.db2.gz MNYYBZLLZOINKV-WOPDTQHZSA-N 2 1 210.365 2.105 20 0 BEADMP C[NH+](C)Cc1cnc(C[NH2+]CC2CCC2)s1 ZINC000336775345 386386207 /nfs/dbraw/zinc/38/62/07/386386207.db2.gz YTSJELAJCOZVPC-UHFFFAOYSA-N 2 1 239.388 2.094 20 0 BEADMP Cc1nc2ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc2s1 ZINC000415006857 386346937 /nfs/dbraw/zinc/34/69/37/386346937.db2.gz CAPIABQYPFOQIP-BDAKNGLRSA-N 2 1 249.383 2.430 20 0 BEADMP C[NH+](C)CCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000276880217 386386918 /nfs/dbraw/zinc/38/69/18/386386918.db2.gz ZIUQQCODDVHCTL-CQSZACIVSA-N 2 1 248.370 2.311 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000063191810 386364754 /nfs/dbraw/zinc/36/47/54/386364754.db2.gz AFERYDOMUDHULF-TZMCWYRMSA-N 2 1 218.344 2.388 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000063191810 386364757 /nfs/dbraw/zinc/36/47/57/386364757.db2.gz AFERYDOMUDHULF-TZMCWYRMSA-N 2 1 218.344 2.388 20 0 BEADMP CC(C)C[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647890131 386367267 /nfs/dbraw/zinc/36/72/67/386367267.db2.gz TWIFOQDGLBBYHH-KGLIPLIRSA-N 2 1 224.392 2.354 20 0 BEADMP CC[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000336698432 386380614 /nfs/dbraw/zinc/38/06/14/386380614.db2.gz IWOWFHRIOHQUON-ZDUSSCGKSA-N 2 1 221.348 2.456 20 0 BEADMP CC[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000336698432 386380621 /nfs/dbraw/zinc/38/06/21/386380621.db2.gz IWOWFHRIOHQUON-ZDUSSCGKSA-N 2 1 221.348 2.456 20 0 BEADMP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](C)C(F)(F)C2)CC[NH2+]1 ZINC000414740184 386329400 /nfs/dbraw/zinc/32/94/00/386329400.db2.gz JOCSLEFLFIXIQT-TUAOUCFPSA-N 2 1 246.345 2.352 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](C)C(F)(F)C2)CC[NH2+]1 ZINC000414740184 386329405 /nfs/dbraw/zinc/32/94/05/386329405.db2.gz JOCSLEFLFIXIQT-TUAOUCFPSA-N 2 1 246.345 2.352 20 0 BEADMP C[C@H]1CC2(C[N@H+]1Cc1ccncc1)CC[NH2+]CC2 ZINC000335275532 386335139 /nfs/dbraw/zinc/33/51/39/386335139.db2.gz CEHMAXFWICFHFG-ZDUSSCGKSA-N 2 1 245.370 2.046 20 0 BEADMP CC(C)[C@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000336681587 386337085 /nfs/dbraw/zinc/33/70/85/386337085.db2.gz QWSHAMKSXMCEKQ-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[C@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000336681587 386337090 /nfs/dbraw/zinc/33/70/90/386337090.db2.gz QWSHAMKSXMCEKQ-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[C@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000336681587 386337094 /nfs/dbraw/zinc/33/70/94/386337094.db2.gz QWSHAMKSXMCEKQ-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000336681586 386337944 /nfs/dbraw/zinc/33/79/44/386337944.db2.gz QWSHAMKSXMCEKQ-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000336681586 386337952 /nfs/dbraw/zinc/33/79/52/386337952.db2.gz QWSHAMKSXMCEKQ-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000336681586 386337955 /nfs/dbraw/zinc/33/79/55/386337955.db2.gz QWSHAMKSXMCEKQ-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@H]1CC2(C[N@H+]1CC1CCC1)CC[NH2+]CC2 ZINC000335276470 386338767 /nfs/dbraw/zinc/33/87/67/386338767.db2.gz DNVWVGODXPFFGT-LBPRGKRZSA-N 2 1 222.376 2.251 20 0 BEADMP COCC1(C)CC[NH+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414753412 386388657 /nfs/dbraw/zinc/38/86/57/386388657.db2.gz MIXYVZOQKXTCTI-ZDUSSCGKSA-N 2 1 242.407 2.108 20 0 BEADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000336775788 386389556 /nfs/dbraw/zinc/38/95/56/386389556.db2.gz CRNNJBUSBORSKR-RQJABVFESA-N 2 1 224.392 2.352 20 0 BEADMP CSc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000415008610 386389938 /nfs/dbraw/zinc/38/99/38/386389938.db2.gz MZDCWKLMNHDPQF-VHSXEESVSA-N 2 1 224.373 2.234 20 0 BEADMP CC1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000414908869 386404671 /nfs/dbraw/zinc/40/46/71/386404671.db2.gz BKXJXRBHMZLXST-PYNQCMFNSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000442664516 386415128 /nfs/dbraw/zinc/41/51/28/386415128.db2.gz MIVLPTMPCXHEAK-BXUZGUMPSA-N 2 1 236.334 2.180 20 0 BEADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000442664516 386415133 /nfs/dbraw/zinc/41/51/33/386415133.db2.gz MIVLPTMPCXHEAK-BXUZGUMPSA-N 2 1 236.334 2.180 20 0 BEADMP CC(C)[C@H](C[N@@H+]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000339413638 386415820 /nfs/dbraw/zinc/41/58/20/386415820.db2.gz YARUAUCDSBMKMA-GJZGRUSLSA-N 2 1 232.371 2.459 20 0 BEADMP CC(C)[C@H](C[N@H+]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000339413638 386415826 /nfs/dbraw/zinc/41/58/26/386415826.db2.gz YARUAUCDSBMKMA-GJZGRUSLSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@H](Cc1ccncc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000347416884 386422127 /nfs/dbraw/zinc/42/21/27/386422127.db2.gz PGZONTJGHVUCID-NFAWXSAZSA-N 2 1 247.386 2.085 20 0 BEADMP C[C@H](Cc1ccncc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000347416884 386422132 /nfs/dbraw/zinc/42/21/32/386422132.db2.gz PGZONTJGHVUCID-NFAWXSAZSA-N 2 1 247.386 2.085 20 0 BEADMP CC[C@@H]1C[C@H](C)C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000399163022 386428878 /nfs/dbraw/zinc/42/88/78/386428878.db2.gz LOLHRVQTVQATEM-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1ccc(F)c(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414910387 386435099 /nfs/dbraw/zinc/43/50/99/386435099.db2.gz VELOREYIDJULEZ-CYBMUJFWSA-N 2 1 236.334 2.366 20 0 BEADMP CC1(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCC1 ZINC000414775187 386470422 /nfs/dbraw/zinc/47/04/22/386470422.db2.gz GGSQITKINANGRQ-KGLIPLIRSA-N 2 1 236.403 2.498 20 0 BEADMP CC[C@H]1C[N@@H+](CCCc2ccncc2)CC[C@H]1[NH3+] ZINC000647934485 386479067 /nfs/dbraw/zinc/47/90/67/386479067.db2.gz GXQUJUQYYXROGD-LSDHHAIUSA-N 2 1 247.386 2.073 20 0 BEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000415019526 386496476 /nfs/dbraw/zinc/49/64/76/386496476.db2.gz RTXIOLQVAGOQGQ-VXGBXAGGSA-N 2 1 248.370 2.301 20 0 BEADMP C[N@@H+](CCCCOc1ccccc1)C1CC([NH3+])C1 ZINC000414781544 386500326 /nfs/dbraw/zinc/50/03/26/386500326.db2.gz VTBAADDRGJJXNX-UHFFFAOYSA-N 2 1 248.370 2.267 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CCC[C@H](C)C1 ZINC000415050483 386504887 /nfs/dbraw/zinc/50/48/87/386504887.db2.gz CWZZBTQGWYSFDC-RVMXOQNASA-N 2 1 210.365 2.234 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414783679 386508556 /nfs/dbraw/zinc/50/85/56/386508556.db2.gz QIRTVPPXCGCHHO-KBPBESRZSA-N 2 1 224.392 2.354 20 0 BEADMP Cc1cc(Cl)ccc1C[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000415022557 386511043 /nfs/dbraw/zinc/51/10/43/386511043.db2.gz VLXACXXRLZXCMW-NXEZZACHSA-N 2 1 226.751 2.474 20 0 BEADMP C[C@H]1CCCC[C@H]1C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414785779 386514920 /nfs/dbraw/zinc/51/49/20/386514920.db2.gz TWXGJKOMDVDABX-ZQDZILKHSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])ccc1Cl ZINC000415024151 386515098 /nfs/dbraw/zinc/51/50/98/386515098.db2.gz YCLTUNZOSPAEDJ-NXEZZACHSA-N 2 1 226.751 2.474 20 0 BEADMP Oc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH2+]CC1)CCC2 ZINC000335451733 386524553 /nfs/dbraw/zinc/52/45/53/386524553.db2.gz MHWBHLACNVQJAP-HNNXBMFYSA-N 2 1 246.354 2.111 20 0 BEADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(F)cc1)C1CCCC1 ZINC000415041668 386527076 /nfs/dbraw/zinc/52/70/76/386527076.db2.gz LOMMHGNNDINEPZ-CQSZACIVSA-N 2 1 236.334 2.433 20 0 BEADMP C[C@H](C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000094339088 386458012 /nfs/dbraw/zinc/45/80/12/386458012.db2.gz NLMVPNGWBMQFEC-IPYPFGDCSA-N 2 1 232.371 2.459 20 0 BEADMP Cc1ccncc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000290610983 386459144 /nfs/dbraw/zinc/45/91/44/386459144.db2.gz WNTDCSMGJDHPFZ-UKRRQHHQSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccncc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000290610983 386459151 /nfs/dbraw/zinc/45/91/51/386459151.db2.gz WNTDCSMGJDHPFZ-UKRRQHHQSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccncc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000290610983 386459158 /nfs/dbraw/zinc/45/91/58/386459158.db2.gz WNTDCSMGJDHPFZ-UKRRQHHQSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccncc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000290610983 386459162 /nfs/dbraw/zinc/45/91/62/386459162.db2.gz WNTDCSMGJDHPFZ-UKRRQHHQSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccncc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000290610982 386459192 /nfs/dbraw/zinc/45/91/92/386459192.db2.gz WNTDCSMGJDHPFZ-HIFRSBDPSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccncc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000290610982 386459197 /nfs/dbraw/zinc/45/91/97/386459197.db2.gz WNTDCSMGJDHPFZ-HIFRSBDPSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccncc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000290610982 386459202 /nfs/dbraw/zinc/45/92/02/386459202.db2.gz WNTDCSMGJDHPFZ-HIFRSBDPSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccncc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000290610982 386459208 /nfs/dbraw/zinc/45/92/08/386459208.db2.gz WNTDCSMGJDHPFZ-HIFRSBDPSA-N 2 1 247.386 2.162 20 0 BEADMP C[C@H](CCCC(F)(F)F)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414797125 386579553 /nfs/dbraw/zinc/57/95/53/386579553.db2.gz AZNSGLNAJWDPNE-PSASIEDQSA-N 2 1 238.297 2.434 20 0 BEADMP CCSCC[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000336781311 386583455 /nfs/dbraw/zinc/58/34/55/386583455.db2.gz UINJDPPNPLQGJF-ZDUSSCGKSA-N 2 1 244.448 2.450 20 0 BEADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(Cl)cc1)C1CC1 ZINC000414800448 386587284 /nfs/dbraw/zinc/58/72/84/386587284.db2.gz KUNQILSCNIUEDN-GFCCVEGCSA-N 2 1 224.735 2.167 20 0 BEADMP CC(C)(C)CC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000415059798 386540761 /nfs/dbraw/zinc/54/07/61/386540761.db2.gz ZDNCSIIKELYYPF-SNVBAGLBSA-N 2 1 200.370 2.386 20 0 BEADMP COc1ccccc1/C=C/C[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414790402 386541792 /nfs/dbraw/zinc/54/17/92/386541792.db2.gz ACXLRYSNICJQGU-YVZNUBBCSA-N 2 1 246.354 2.035 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cccc2cccnc21 ZINC000414790398 386542139 /nfs/dbraw/zinc/54/21/39/386542139.db2.gz GNNVUUCOMIXUIM-AWEZNQCLSA-N 2 1 243.354 2.308 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+]C/C=C\c1ccccc1 ZINC000414791696 386549538 /nfs/dbraw/zinc/54/95/38/386549538.db2.gz IFPGLXGBHHOFRN-PIZKADEWSA-N 2 1 218.344 2.273 20 0 BEADMP Cc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)ccc1F ZINC000414792481 386552113 /nfs/dbraw/zinc/55/21/13/386552113.db2.gz IZGCJODOFGPRNO-ZDUSSCGKSA-N 2 1 224.323 2.207 20 0 BEADMP C[C@H]1CCCC[C@@H]1C[NH2+]CCC[NH+]1CCC1 ZINC000519778189 386555137 /nfs/dbraw/zinc/55/51/37/386555137.db2.gz PQWLVCMWOMDHPI-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]1CCC[C@H]1[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415071135 386557646 /nfs/dbraw/zinc/55/76/46/386557646.db2.gz VYTITXFWUSPCHM-RAIGVLPGSA-N 2 1 210.365 2.282 20 0 BEADMP Cn1ccnc1[C@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC000365647736 386571056 /nfs/dbraw/zinc/57/10/56/386571056.db2.gz FGBUONIYSRQSAQ-TZNOJPMFSA-N 2 1 239.750 2.352 20 0 BEADMP Cn1ccnc1[C@H]1CCCN(C/C=C/Cl)C1 ZINC000365647736 386571061 /nfs/dbraw/zinc/57/10/61/386571061.db2.gz FGBUONIYSRQSAQ-TZNOJPMFSA-N 2 1 239.750 2.352 20 0 BEADMP CC(C)([NH3+])C[NH2+]Cc1cnccc1C(C)(C)C ZINC000415114126 386623740 /nfs/dbraw/zinc/62/37/40/386623740.db2.gz CLWLXDNUBGFGRB-UHFFFAOYSA-N 2 1 235.375 2.206 20 0 BEADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(Cl)c1)C1CC1 ZINC000414808744 386625035 /nfs/dbraw/zinc/62/50/35/386625035.db2.gz SSHCEDOLTPEENT-GFCCVEGCSA-N 2 1 224.735 2.167 20 0 BEADMP Cc1cc(Cl)ccc1C[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414811022 386633502 /nfs/dbraw/zinc/63/35/02/386633502.db2.gz VXICOEKTZUXNPU-ZDUSSCGKSA-N 2 1 238.762 2.475 20 0 BEADMP CC(C)(C)c1ccncc1C[NH2+]C1CC[NH2+]CC1 ZINC000415120732 386633614 /nfs/dbraw/zinc/63/36/14/386633614.db2.gz JJVCUFOLPFHPJM-UHFFFAOYSA-N 2 1 247.386 2.221 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000414813487 386636279 /nfs/dbraw/zinc/63/62/79/386636279.db2.gz MNOXSWXOKKIUDN-MJBXVCDLSA-N 2 1 242.407 2.297 20 0 BEADMP C[C@@H]1CCC[C@@H](C[NH2+][C@H](C[NH3+])C2CC2)C1 ZINC000414812870 386643588 /nfs/dbraw/zinc/64/35/88/386643588.db2.gz PVPLFOZHAYFZQK-NQBHXWOUSA-N 2 1 210.365 2.140 20 0 BEADMP CC[C@H](Cc1ccccc1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414814337 386646690 /nfs/dbraw/zinc/64/66/90/386646690.db2.gz RPDHYPVDSKTCDQ-HUUCEWRRSA-N 2 1 232.371 2.335 20 0 BEADMP C(C[NH2+]C1CCCCCC1)[NH2+]C1CCOCC1 ZINC000414815532 386648574 /nfs/dbraw/zinc/64/85/74/386648574.db2.gz UODSNDUWFIKDPI-UHFFFAOYSA-N 2 1 240.391 2.067 20 0 BEADMP [NH3+]C[C@@H]([NH2+]CCCCOc1ccccc1)C1CC1 ZINC000414815246 386649340 /nfs/dbraw/zinc/64/93/40/386649340.db2.gz TXTAGDOVTBWQMR-OAHLLOKOSA-N 2 1 248.370 2.173 20 0 BEADMP C[C@H](CCc1ccccc1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414817098 386654027 /nfs/dbraw/zinc/65/40/27/386654027.db2.gz ZECXBKPBDMNUFC-DOMZBBRYSA-N 2 1 232.371 2.335 20 0 BEADMP CC(C)Oc1cccc(C[NH2+]CC(C)(C)[NH3+])c1 ZINC000414803120 386601133 /nfs/dbraw/zinc/60/11/33/386601133.db2.gz LLAASSFJOREQGD-UHFFFAOYSA-N 2 1 236.359 2.301 20 0 BEADMP CC(C)([NH3+])C[NH2+]Cc1ccc2ncccc2c1 ZINC000414804136 386605917 /nfs/dbraw/zinc/60/59/17/386605917.db2.gz MYSOFVVMOKAURV-UHFFFAOYSA-N 2 1 229.327 2.062 20 0 BEADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](COC)CC(C)C ZINC000414805738 386606684 /nfs/dbraw/zinc/60/66/84/386606684.db2.gz AQJXJJGRVVGRJL-STQMWFEESA-N 2 1 230.396 2.155 20 0 BEADMP Cc1cscc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000335489971 386607876 /nfs/dbraw/zinc/60/78/76/386607876.db2.gz ANEVWMOGXFNLQN-GHMZBOCLSA-N 2 1 210.346 2.026 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H](C[NH3+])C2CC2)C[C@@H]1C ZINC000414804531 386609824 /nfs/dbraw/zinc/60/98/24/386609824.db2.gz KSRQPXHJNPIIAB-URBCHYCLSA-N 2 1 210.365 2.138 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)C(C)(C)c1ccccc1 ZINC000415091715 386610665 /nfs/dbraw/zinc/61/06/65/386610665.db2.gz ZQRAPLDKYGZTPC-TZMCWYRMSA-N 2 1 232.371 2.304 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453432678 386615718 /nfs/dbraw/zinc/61/57/18/386615718.db2.gz SBRCTWXFJFAMAX-ZYHUDNBSSA-N 2 1 246.345 2.352 20 0 BEADMP CCCC[C@@H](C[NH3+])[NH2+]CCCc1ccc(C)nc1 ZINC000414819772 386660466 /nfs/dbraw/zinc/66/04/66/386660466.db2.gz ZPBOFUJLFGKGOT-HNNXBMFYSA-N 2 1 249.402 2.430 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H](C)CCc1ccsc1 ZINC000414926355 386663156 /nfs/dbraw/zinc/66/31/56/386663156.db2.gz KBIVBRMIUNCZSH-NXEZZACHSA-N 2 1 212.362 2.006 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000414927220 386682299 /nfs/dbraw/zinc/68/22/99/386682299.db2.gz LTLGGEZNIGGYCP-SNPRPXQTSA-N 2 1 232.371 2.335 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000335525085 386668516 /nfs/dbraw/zinc/66/85/16/386668516.db2.gz CELOFMGZORDOCR-UKRRQHHQSA-N 2 1 241.338 2.204 20 0 BEADMP CC(C)[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414926227 386669908 /nfs/dbraw/zinc/66/99/08/386669908.db2.gz NATUJLVBXAPYSU-JHJVBQTASA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414926229 386671963 /nfs/dbraw/zinc/67/19/63/386671963.db2.gz NATUJLVBXAPYSU-UPJWGTAASA-N 2 1 210.365 2.153 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000414824350 386683524 /nfs/dbraw/zinc/68/35/24/386683524.db2.gz KERVXBDOZWQPOG-LSDHHAIUSA-N 2 1 232.371 2.440 20 0 BEADMP CCc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC000049962214 386684414 /nfs/dbraw/zinc/68/44/14/386684414.db2.gz FFWIAIWUTUDQJJ-UHFFFAOYSA-N 2 1 232.371 2.433 20 0 BEADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc2c(c1)COC2 ZINC000268717225 386686448 /nfs/dbraw/zinc/68/64/48/386686448.db2.gz NDVCBPRAVLOUJI-LBPRGKRZSA-N 2 1 248.370 2.319 20 0 BEADMP CCC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CCC1 ZINC000324926148 386693584 /nfs/dbraw/zinc/69/35/84/386693584.db2.gz MKQAWRXDCQWKJC-OLZOCXBDSA-N 2 1 210.365 2.297 20 0 BEADMP Cc1ccc(F)c(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414829118 386700450 /nfs/dbraw/zinc/70/04/50/386700450.db2.gz NDINWQCDUAZNPI-LBPRGKRZSA-N 2 1 236.334 2.223 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000414828983 386702677 /nfs/dbraw/zinc/70/26/77/386702677.db2.gz LTLPOJRRBOCYQD-UONOGXRCSA-N 2 1 218.344 2.132 20 0 BEADMP Cc1ccccc1C[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414837227 386735983 /nfs/dbraw/zinc/73/59/83/386735983.db2.gz JEVUDHYKIRGWON-CQSZACIVSA-N 2 1 220.360 2.458 20 0 BEADMP C[C@@H]([NH2+][C@H]1CSc2ccccc21)C1C[NH2+]C1 ZINC000335536385 386738837 /nfs/dbraw/zinc/73/88/37/386738837.db2.gz RAVZGQPOZNVFIO-SKDRFNHKSA-N 2 1 234.368 2.031 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(F)cc1Cl ZINC000414836471 386738842 /nfs/dbraw/zinc/73/88/42/386738842.db2.gz JJBIUDQQBXDDPP-VIFPVBQESA-N 2 1 244.741 2.424 20 0 BEADMP C[C@H](Cc1ccccc1)C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000340693014 386713769 /nfs/dbraw/zinc/71/37/69/386713769.db2.gz WXKOYBGDRLIFOZ-NFAWXSAZSA-N 2 1 232.371 2.144 20 0 BEADMP [NH3+]C[C@@H]([NH2+][C@H]1CCCSC1)C1CCCCC1 ZINC000414832087 386716140 /nfs/dbraw/zinc/71/61/40/386716140.db2.gz DFPQJMVSAGIIQR-QWHCGFSZSA-N 2 1 242.432 2.379 20 0 BEADMP C[C@H](C[NH3+])[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000414928120 386718454 /nfs/dbraw/zinc/71/84/54/386718454.db2.gz LWJFADFJHNOUMW-GFCCVEGCSA-N 2 1 241.338 2.185 20 0 BEADMP CC[NH2+]CC[NH2+]CC1CCC(C)(C)CC1 ZINC000414832915 386720511 /nfs/dbraw/zinc/72/05/11/386720511.db2.gz RPPYYJHDWGRRND-UHFFFAOYSA-N 2 1 212.381 2.402 20 0 BEADMP C[NH2+]CC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000414834325 386722506 /nfs/dbraw/zinc/72/25/06/386722506.db2.gz TWMRPRRIXUGWJC-GJZGRUSLSA-N 2 1 232.371 2.207 20 0 BEADMP Cc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cn1 ZINC000414839583 386746478 /nfs/dbraw/zinc/74/64/78/386746478.db2.gz LNCGPNSWUDISCR-HNNXBMFYSA-N 2 1 247.386 2.387 20 0 BEADMP CC[N@H+](CCCn1cc[nH+]c1C)C1CC1 ZINC000269129832 386753272 /nfs/dbraw/zinc/75/32/72/386753272.db2.gz JPDZDTKLCBLPNK-UHFFFAOYSA-N 2 1 207.321 2.066 20 0 BEADMP CC[N@@H+](CCCn1cc[nH+]c1C)C1CC1 ZINC000269129832 386753279 /nfs/dbraw/zinc/75/32/79/386753279.db2.gz JPDZDTKLCBLPNK-UHFFFAOYSA-N 2 1 207.321 2.066 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccsc1 ZINC000414841623 386754623 /nfs/dbraw/zinc/75/46/23/386754623.db2.gz NPMDNTPZOHWRBH-LLVKDONJSA-N 2 1 212.362 2.211 20 0 BEADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccsc1 ZINC000414841625 386755669 /nfs/dbraw/zinc/75/56/69/386755669.db2.gz NPMDNTPZOHWRBH-NSHDSACASA-N 2 1 212.362 2.211 20 0 BEADMP CC[NH2+]CC[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000414843092 386757625 /nfs/dbraw/zinc/75/76/25/386757625.db2.gz JJDDOWGXIXYKPD-NEPJUHHUSA-N 2 1 212.381 2.400 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000414931423 386761700 /nfs/dbraw/zinc/76/17/00/386761700.db2.gz PZJIBIHRUHKRNL-TUUVXOQKSA-N 2 1 244.382 2.378 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414843937 386766238 /nfs/dbraw/zinc/76/62/38/386766238.db2.gz KINJMZCTXWBCDU-VHSXEESVSA-N 2 1 238.297 2.307 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000414933767 386791118 /nfs/dbraw/zinc/79/11/18/386791118.db2.gz URZRHEBMPYVICX-XWUBHJNHSA-N 2 1 218.344 2.115 20 0 BEADMP C[C@@H]1CCC[C@@H](C[N@@H+](C)C2CC([NH3+])C2)C1 ZINC000394999400 386795619 /nfs/dbraw/zinc/79/56/19/386795619.db2.gz FPRYAGIQCFMSNG-OKZRHMCRSA-N 2 1 210.365 2.234 20 0 BEADMP CCC1CC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000336743720 386777750 /nfs/dbraw/zinc/77/77/50/386777750.db2.gz UEKGBXDIHVECPM-OTTFEQOBSA-N 2 1 222.376 2.249 20 0 BEADMP Cc1cc(NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc[nH+]1 ZINC000357681898 386823983 /nfs/dbraw/zinc/82/39/83/386823983.db2.gz JRDPWHRMFBMIRL-OKILXGFUSA-N 2 1 247.386 2.487 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(Cl)ccc1F ZINC000414847122 386832743 /nfs/dbraw/zinc/83/27/43/386832743.db2.gz VGJCMVCTMYKBGP-VIFPVBQESA-N 2 1 244.741 2.424 20 0 BEADMP C[C@@H](C[NH3+])[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414936171 386835645 /nfs/dbraw/zinc/83/56/45/386835645.db2.gz BRVJORZXPBEZJC-JTQLQIEISA-N 2 1 204.317 2.001 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]2SC)C1 ZINC000425339403 386838957 /nfs/dbraw/zinc/83/89/57/386838957.db2.gz CMWXOWQZOJUBOP-JHJVBQTASA-N 2 1 242.432 2.202 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000334784860 386844984 /nfs/dbraw/zinc/84/49/84/386844984.db2.gz DHEQWBFMELFNHI-SNVBAGLBSA-N 2 1 248.301 2.353 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H](C)CCCC(F)(F)F ZINC000414938045 386857463 /nfs/dbraw/zinc/85/74/63/386857463.db2.gz YBOMVOGMCMAVRR-HTQZYQBOSA-N 2 1 212.259 2.044 20 0 BEADMP C[C@H]1C[C@@H](C[N@H+]2CCCC3(CC3)C2)CC[NH2+]1 ZINC000334833062 386871461 /nfs/dbraw/zinc/87/14/61/386871461.db2.gz MLXQMHFWYILIHR-STQMWFEESA-N 2 1 222.376 2.251 20 0 BEADMP C[N@H+](CC(C)(C)[NH3+])[C@@H]1CCc2ccccc21 ZINC000334834204 386874649 /nfs/dbraw/zinc/87/46/49/386874649.db2.gz MBJHPFYWEPJPIG-CYBMUJFWSA-N 2 1 218.344 2.343 20 0 BEADMP C[N@@H+](CC(C)(C)[NH3+])[C@@H]1CCc2ccccc21 ZINC000334834204 386874651 /nfs/dbraw/zinc/87/46/51/386874651.db2.gz MBJHPFYWEPJPIG-CYBMUJFWSA-N 2 1 218.344 2.343 20 0 BEADMP C[NH+]1CCC([NH2+]C2(C3CCC3)CCC2)CC1 ZINC000334835375 386875923 /nfs/dbraw/zinc/87/59/23/386875923.db2.gz HIWWSLSZWXMBKO-UHFFFAOYSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414941648 386885769 /nfs/dbraw/zinc/88/57/69/386885769.db2.gz JCMULZMCBMJUIK-CIUDSAMLSA-N 2 1 224.270 2.044 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414941651 386885859 /nfs/dbraw/zinc/88/58/59/386885859.db2.gz JCMULZMCBMJUIK-XHNCKOQMSA-N 2 1 224.270 2.044 20 0 BEADMP CC1(C)CCC[C@@H]1[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000334846675 386895031 /nfs/dbraw/zinc/89/50/31/386895031.db2.gz KJMGVFZSTAGMBP-MNOVXSKESA-N 2 1 246.345 2.400 20 0 BEADMP CC[NH+](CC)[C@@H](C)C[NH2+]CC1(SC)CC1 ZINC000336745004 386889949 /nfs/dbraw/zinc/88/99/49/386889949.db2.gz ADBKDFUVIPSIGS-NSHDSACASA-N 2 1 230.421 2.202 20 0 BEADMP CC1(C)CC[C@@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000334849595 386898394 /nfs/dbraw/zinc/89/83/94/386898394.db2.gz WYGKGYQNPZARBV-WDEREUQCSA-N 2 1 246.345 2.400 20 0 BEADMP C[C@@H]1CC(C)(C)C[N@H+]1CC1CC[NH2+]CC1 ZINC000334856445 386908539 /nfs/dbraw/zinc/90/85/39/386908539.db2.gz XPBAATXZVRSCCD-LLVKDONJSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)CC[NH2+]1 ZINC000334867095 386923963 /nfs/dbraw/zinc/92/39/63/386923963.db2.gz ZVAPEWJAXIXTLS-GXFFZTMASA-N 2 1 222.307 2.056 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)CC[NH2+]1 ZINC000334867092 386924604 /nfs/dbraw/zinc/92/46/04/386924604.db2.gz ZVAPEWJAXIXTLS-GWCFXTLKSA-N 2 1 222.307 2.056 20 0 BEADMP CCC[C@H](C)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000353013072 386988993 /nfs/dbraw/zinc/98/89/93/386988993.db2.gz YZCYITHVUYGPIK-IHRRRGAJSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000353013072 386989001 /nfs/dbraw/zinc/98/90/01/386989001.db2.gz YZCYITHVUYGPIK-IHRRRGAJSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000353013072 386989006 /nfs/dbraw/zinc/98/90/06/386989006.db2.gz YZCYITHVUYGPIK-IHRRRGAJSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000353013072 386989009 /nfs/dbraw/zinc/98/90/09/386989009.db2.gz YZCYITHVUYGPIK-IHRRRGAJSA-N 2 1 224.392 2.449 20 0 BEADMP c1ccc(CCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000336786238 386991677 /nfs/dbraw/zinc/99/16/77/386991677.db2.gz BLSBULBRIMFOLM-HZPDHXFCSA-N 2 1 244.382 2.161 20 0 BEADMP COC[C@H](C)C[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000526118771 387034749 /nfs/dbraw/zinc/03/47/49/387034749.db2.gz ORTBOEDMKQSVOH-MCIONIFRSA-N 2 1 242.407 2.121 20 0 BEADMP COC[C@H](C)C[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000526118771 387034752 /nfs/dbraw/zinc/03/47/52/387034752.db2.gz ORTBOEDMKQSVOH-MCIONIFRSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC1(C)CC1 ZINC000336763771 387036841 /nfs/dbraw/zinc/03/68/41/387036841.db2.gz PNIBBQFTASDSIT-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CCCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000334966024 387047480 /nfs/dbraw/zinc/04/74/80/387047480.db2.gz DNPNFIITOIVFAB-OLZOCXBDSA-N 2 1 210.365 2.108 20 0 BEADMP CO[C@@H](C)C[N@@H+](CCC1CC[NH2+]CC1)C(C)C ZINC000359215345 387067586 /nfs/dbraw/zinc/06/75/86/387067586.db2.gz JUCUZWSLWZKRBT-ZDUSSCGKSA-N 2 1 242.407 2.121 20 0 BEADMP C(C1CCC1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000334978862 387064572 /nfs/dbraw/zinc/06/45/72/387064572.db2.gz CAGYSGDXKAZMOX-ZIAGYGMSSA-N 2 1 222.376 2.108 20 0 BEADMP CCC[C@@H](C)[N@H+](C)CCCc1c[nH+]cn1C ZINC000514611075 387013427 /nfs/dbraw/zinc/01/34/27/387013427.db2.gz IDZUMHLDYFLJJZ-GFCCVEGCSA-N 2 1 223.364 2.473 20 0 BEADMP CCC[C@@H](C)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000514611075 387013430 /nfs/dbraw/zinc/01/34/30/387013430.db2.gz IDZUMHLDYFLJJZ-GFCCVEGCSA-N 2 1 223.364 2.473 20 0 BEADMP CS[C@@H]1CC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000425372834 387014152 /nfs/dbraw/zinc/01/41/52/387014152.db2.gz UFLLNTWOFWNUBK-JHJVBQTASA-N 2 1 242.432 2.202 20 0 BEADMP CCC[C@H](C)[N@H+](C)CCCc1c[nH+]cn1C ZINC000514611076 387014627 /nfs/dbraw/zinc/01/46/27/387014627.db2.gz IDZUMHLDYFLJJZ-LBPRGKRZSA-N 2 1 223.364 2.473 20 0 BEADMP CCC[C@H](C)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000514611076 387014633 /nfs/dbraw/zinc/01/46/33/387014633.db2.gz IDZUMHLDYFLJJZ-LBPRGKRZSA-N 2 1 223.364 2.473 20 0 BEADMP Fc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000334880940 387023876 /nfs/dbraw/zinc/02/38/76/387023876.db2.gz JIXNIGYQGKKEGS-FUNVUKJBSA-N 2 1 234.318 2.198 20 0 BEADMP c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000334882503 387025788 /nfs/dbraw/zinc/02/57/88/387025788.db2.gz MZMYZVBYWUIFEL-FOSCPWQOSA-N 2 1 222.357 2.121 20 0 BEADMP COCc1cccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000126929874 387074601 /nfs/dbraw/zinc/07/46/01/387074601.db2.gz SABPAEWTOLOIJM-IUODEOHRSA-N 2 1 248.370 2.002 20 0 BEADMP CC[C@@H](COC)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000246366391 387079943 /nfs/dbraw/zinc/07/99/43/387079943.db2.gz LUMXGLFRGMPURO-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000070977045 387085737 /nfs/dbraw/zinc/08/57/37/387085737.db2.gz YWFCVJBBGWFRJN-AAEUAGOBSA-N 2 1 236.334 2.385 20 0 BEADMP [NH3+]C[C@H]1CC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000334998253 387089750 /nfs/dbraw/zinc/08/97/50/387089750.db2.gz MXVCDUAJPSKNBP-IAQYHMDHSA-N 2 1 248.345 2.484 20 0 BEADMP [NH3+]C[C@@H]1CC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000334998254 387090601 /nfs/dbraw/zinc/09/06/01/387090601.db2.gz MXVCDUAJPSKNBP-NHYWBVRUSA-N 2 1 248.345 2.484 20 0 BEADMP CCc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000334997514 387090932 /nfs/dbraw/zinc/09/09/32/387090932.db2.gz DHWYBVVNHABFIP-SWLSCSKDSA-N 2 1 232.371 2.418 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])s1 ZINC000335007928 387102717 /nfs/dbraw/zinc/10/27/17/387102717.db2.gz BPXFOURJFLNLPS-MNOVXSKESA-N 2 1 210.346 2.026 20 0 BEADMP Cc1cc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])ccn1 ZINC000335009697 387105523 /nfs/dbraw/zinc/10/55/23/387105523.db2.gz HKLRRMUZZMPIHI-KBPBESRZSA-N 2 1 233.359 2.140 20 0 BEADMP Cc1cncc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000335024216 387114436 /nfs/dbraw/zinc/11/44/36/387114436.db2.gz ARYIGUOTASXWJE-KGLIPLIRSA-N 2 1 233.359 2.140 20 0 BEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccccc1F ZINC000335025854 387117949 /nfs/dbraw/zinc/11/79/49/387117949.db2.gz MUAHSTMZKIUNLD-BXUZGUMPSA-N 2 1 236.334 2.303 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000250537474 387124225 /nfs/dbraw/zinc/12/42/25/387124225.db2.gz RJGTXTWFZPHABU-OCCSQVGLSA-N 2 1 216.328 2.097 20 0 BEADMP [NH3+][C@@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000250537474 387124229 /nfs/dbraw/zinc/12/42/29/387124229.db2.gz RJGTXTWFZPHABU-OCCSQVGLSA-N 2 1 216.328 2.097 20 0 BEADMP Cc1cc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc(C)n1 ZINC000335029639 387124863 /nfs/dbraw/zinc/12/48/63/387124863.db2.gz OCYOWHVWMSYHOB-LSDHHAIUSA-N 2 1 247.386 2.448 20 0 BEADMP CCC[NH2+]CC[NH2+][C@@H]1C[C@@H](OC)C1(CC)CC ZINC000423310488 387146755 /nfs/dbraw/zinc/14/67/55/387146755.db2.gz NLSJIUNKKAEWEM-CHWSQXEVSA-N 2 1 242.407 2.169 20 0 BEADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423311246 387149274 /nfs/dbraw/zinc/14/92/74/387149274.db2.gz BJRMSADHVBMIRR-QMTHXVAHSA-N 2 1 234.343 2.083 20 0 BEADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)CC2 ZINC000423313172 387150570 /nfs/dbraw/zinc/15/05/70/387150570.db2.gz FGKBUYCCJIEJPF-HUUCEWRRSA-N 2 1 246.354 2.009 20 0 BEADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423313551 387151293 /nfs/dbraw/zinc/15/12/93/387151293.db2.gz FUROPOUOCKGDCS-GLQYFDAESA-N 2 1 248.370 2.090 20 0 BEADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423313550 387151807 /nfs/dbraw/zinc/15/18/07/387151807.db2.gz FUROPOUOCKGDCS-DFBGVHRSSA-N 2 1 248.370 2.090 20 0 BEADMP [NH3+][C@H](C[NH2+][C@@H]1CCc2c1cccc2F)C1CC1 ZINC000423314697 387153300 /nfs/dbraw/zinc/15/33/00/387153300.db2.gz HNQIRAPUHZREKB-ZIAGYGMSSA-N 2 1 234.318 2.140 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC2(CC2)C1 ZINC000187006226 387153916 /nfs/dbraw/zinc/15/39/16/387153916.db2.gz XNTXCLHTMKNITR-CYBMUJFWSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC2(CC2)C1 ZINC000187006226 387153922 /nfs/dbraw/zinc/15/39/22/387153922.db2.gz XNTXCLHTMKNITR-CYBMUJFWSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC2(CC2)C1 ZINC000187006226 387153926 /nfs/dbraw/zinc/15/39/26/387153926.db2.gz XNTXCLHTMKNITR-CYBMUJFWSA-N 2 1 222.376 2.347 20 0 BEADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C)C[NH3+] ZINC000423316901 387157483 /nfs/dbraw/zinc/15/74/83/387157483.db2.gz BPCYENNSRJQPHE-YGRLFVJLSA-N 2 1 234.343 2.009 20 0 BEADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423321639 387165663 /nfs/dbraw/zinc/16/56/63/387165663.db2.gz NGLQUBYRIBYECH-BXUZGUMPSA-N 2 1 218.344 2.383 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(OC)c1 ZINC000423321672 387166248 /nfs/dbraw/zinc/16/62/48/387166248.db2.gz NKKLTVFQNFBEHP-CABCVRRESA-N 2 1 248.370 2.473 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccc1OC ZINC000423323847 387168014 /nfs/dbraw/zinc/16/80/14/387168014.db2.gz OYUIQSADFIIEEB-KGLIPLIRSA-N 2 1 248.370 2.473 20 0 BEADMP COc1cccc2c1CC[C@H]2[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423328080 387170734 /nfs/dbraw/zinc/17/07/34/387170734.db2.gz RYAPUJHWTUHDOE-UONOGXRCSA-N 2 1 246.354 2.009 20 0 BEADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423328161 387170890 /nfs/dbraw/zinc/17/08/90/387170890.db2.gz NTLOHPVGHGVRRJ-BAESOJJISA-N 2 1 248.370 2.124 20 0 BEADMP Cc1ccccc1C[C@H]([NH2+][C@H](C)C[NH3+])C1CC1 ZINC000423342245 387193525 /nfs/dbraw/zinc/19/35/25/387193525.db2.gz YSKTURXUZPRKQI-DOMZBBRYSA-N 2 1 232.371 2.253 20 0 BEADMP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc[nH+]1 ZINC000229570599 387179156 /nfs/dbraw/zinc/17/91/56/387179156.db2.gz QNOOKMGNGHWKDP-WCQYABFASA-N 2 1 219.332 2.285 20 0 BEADMP COc1ccc([C@@H](C)[C@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423334867 387180249 /nfs/dbraw/zinc/18/02/49/387180249.db2.gz SVBUHGBKMRLPML-WOPDTQHZSA-N 2 1 236.359 2.124 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000423334892 387181622 /nfs/dbraw/zinc/18/16/22/387181622.db2.gz SWZCQTNHALXBBV-BNOWGMLFSA-N 2 1 248.370 2.169 20 0 BEADMP CC(C)[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccnc1 ZINC000423337387 387185084 /nfs/dbraw/zinc/18/50/84/387185084.db2.gz YHBCITKATZYZHY-UONOGXRCSA-N 2 1 233.359 2.106 20 0 BEADMP CC[C@H]([NH2+][C@H](C)C[NH3+])c1cccc(OC)c1 ZINC000423341568 387189745 /nfs/dbraw/zinc/18/97/45/387189745.db2.gz YHRUBJVDFQGHLA-MFKMUULPSA-N 2 1 222.332 2.083 20 0 BEADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1cnc2ccsc2c1 ZINC000423301863 387135371 /nfs/dbraw/zinc/13/53/71/387135371.db2.gz IHGYVUXUGAFAHI-VIFPVBQESA-N 2 1 247.367 2.166 20 0 BEADMP CC[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423303429 387136990 /nfs/dbraw/zinc/13/69/90/387136990.db2.gz LNYMFBWFLGQALI-AVGNSLFASA-N 2 1 210.365 2.297 20 0 BEADMP COC[C@@H](CC(C)C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000359636653 387138273 /nfs/dbraw/zinc/13/82/73/387138273.db2.gz HFUGSZAAFQLKLI-CQSZACIVSA-N 2 1 244.423 2.367 20 0 BEADMP CC[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(F)cc1F ZINC000423304911 387139469 /nfs/dbraw/zinc/13/94/69/387139469.db2.gz PUNQJUXXFXHYPN-CYBMUJFWSA-N 2 1 240.297 2.225 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423355468 387205676 /nfs/dbraw/zinc/20/56/76/387205676.db2.gz FOPWZKDYRDKYOX-HTOAHKCRSA-N 2 1 224.392 2.399 20 0 BEADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C[NH3+])[C@H](C)C2 ZINC000423357360 387206683 /nfs/dbraw/zinc/20/66/83/387206683.db2.gz ACYZFOPSEBLXPQ-SUNKGSAMSA-N 2 1 218.344 2.165 20 0 BEADMP Cc1ccnc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000423356777 387207234 /nfs/dbraw/zinc/20/72/34/387207234.db2.gz KOFHTNICNPZLHO-CHWSQXEVSA-N 2 1 233.359 2.183 20 0 BEADMP Cc1nc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cs1 ZINC000423359198 387210231 /nfs/dbraw/zinc/21/02/31/387210231.db2.gz CVSRTHOUTZRJSO-INTQDDNPSA-N 2 1 239.388 2.372 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000423360862 387212554 /nfs/dbraw/zinc/21/25/54/387212554.db2.gz LRIDZLKLTOJQDZ-RGDJUOJXSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)[C@H]1CC1(C)C ZINC000423360376 387213876 /nfs/dbraw/zinc/21/38/76/387213876.db2.gz LIFVRQDMDKETSW-KXNHARMFSA-N 2 1 210.365 2.009 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000423365574 387219049 /nfs/dbraw/zinc/21/90/49/387219049.db2.gz KLLIEVMRAXJVLY-YDHLFZDLSA-N 2 1 248.370 2.091 20 0 BEADMP CCC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(OC)cc1 ZINC000423371445 387224634 /nfs/dbraw/zinc/22/46/34/387224634.db2.gz QLQWLAJQXQUGOY-SMDDNHRTSA-N 2 1 236.359 2.473 20 0 BEADMP CC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccc(F)cc1 ZINC000423372030 387226885 /nfs/dbraw/zinc/22/68/85/387226885.db2.gz QUZYAOWGASFNLM-CABZTGNLSA-N 2 1 210.296 2.214 20 0 BEADMP CCc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])s1 ZINC000423326253 387228425 /nfs/dbraw/zinc/22/84/25/387228425.db2.gz MLYPYFBXMOCFCE-RKDXNWHRSA-N 2 1 212.362 2.308 20 0 BEADMP CC(C)[C@@H]([NH2+]CC1([NH3+])CCC1)c1cccnc1 ZINC000423325771 387230346 /nfs/dbraw/zinc/23/03/46/387230346.db2.gz LQXZUGDZWVQEMD-CYBMUJFWSA-N 2 1 233.359 2.250 20 0 BEADMP Clc1cccc2c1CC[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000572147945 387243697 /nfs/dbraw/zinc/24/36/97/387243697.db2.gz HGGHSMXQHXHNIH-WVWOOGAGSA-N 2 1 248.757 2.135 20 0 BEADMP CSc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423422079 387250197 /nfs/dbraw/zinc/25/01/97/387250197.db2.gz CRAWIJCTPJBONR-OLRMPSLUSA-N 2 1 248.395 2.277 20 0 BEADMP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000423425420 387252120 /nfs/dbraw/zinc/25/21/20/387252120.db2.gz GRBBOVMVCKXAFI-RZFFKMDDSA-N 2 1 230.355 2.172 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH2+]CC2)c(C)n1 ZINC000643496194 387196322 /nfs/dbraw/zinc/19/63/22/387196322.db2.gz RBDSUMKHSIQEPE-GFCCVEGCSA-N 2 1 233.359 2.101 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2c1cccc2C ZINC000423462643 387310383 /nfs/dbraw/zinc/31/03/83/387310383.db2.gz KXURSSDJWFTFHS-BXUZGUMPSA-N 2 1 218.344 2.309 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000423462128 387311173 /nfs/dbraw/zinc/31/11/73/387311173.db2.gz KIMSETGGRHHCOF-OCCSQVGLSA-N 2 1 236.359 2.473 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2C)CC1 ZINC000321912471 387312168 /nfs/dbraw/zinc/31/21/68/387312168.db2.gz PSVNIYOBRJDYEA-NQBHXWOUSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1C[C@H]1C ZINC000321903014 387314038 /nfs/dbraw/zinc/31/40/38/387314038.db2.gz NYSWDCSEBISATE-CCJXIVEXSA-N 2 1 222.376 2.246 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCNc2ccccc21 ZINC000423470282 387316261 /nfs/dbraw/zinc/31/62/61/387316261.db2.gz PCXPBYWFTKZUHK-RISCZKNCSA-N 2 1 233.359 2.260 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000423377678 387260254 /nfs/dbraw/zinc/26/02/54/387260254.db2.gz WBMLOCBMBOZUFX-TVQRCGJNSA-N 2 1 222.307 2.214 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000423381425 387261913 /nfs/dbraw/zinc/26/19/13/387261913.db2.gz ZREOONYSWKBPIH-IUCAKERBSA-N 2 1 220.307 2.137 20 0 BEADMP CC[NH2+][C@H](C)C[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000423386951 387270650 /nfs/dbraw/zinc/27/06/50/387270650.db2.gz SEJAOPMEFOOQER-UPJWGTAASA-N 2 1 242.407 2.166 20 0 BEADMP CC[NH2+][C@H](C)C[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000423386950 387271490 /nfs/dbraw/zinc/27/14/90/387271490.db2.gz SEJAOPMEFOOQER-JHJVBQTASA-N 2 1 242.407 2.166 20 0 BEADMP Cc1ccnc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000423389530 387274738 /nfs/dbraw/zinc/27/47/38/387274738.db2.gz VCPBLLKVURCNGZ-AGIUHOORSA-N 2 1 233.359 2.181 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCCNc2ccccc21)[C@H](C)[NH3+] ZINC000423431792 387283406 /nfs/dbraw/zinc/28/34/06/387283406.db2.gz AYKRRPMFIHKPEY-WDMOLILDSA-N 2 1 233.359 2.259 20 0 BEADMP CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccsc1 ZINC000423435297 387285522 /nfs/dbraw/zinc/28/55/22/387285522.db2.gz RDDKVRJJLKSDMN-KXNHARMFSA-N 2 1 222.357 2.007 20 0 BEADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc2c(c1)CCC2 ZINC000423437389 387288635 /nfs/dbraw/zinc/28/86/35/387288635.db2.gz QKDSLRXYIJWACA-XGVBPZLHSA-N 2 1 242.366 2.044 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)[C@H](C)[NH3+] ZINC000423440290 387290070 /nfs/dbraw/zinc/29/00/70/387290070.db2.gz IKHGBIBZKSTULI-IGJMFERPSA-N 2 1 222.307 2.138 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000423440097 387290368 /nfs/dbraw/zinc/29/03/68/387290368.db2.gz AMSRVYMJWWJWCG-NWDGAFQWSA-N 2 1 236.359 2.392 20 0 BEADMP CCC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccsc1 ZINC000423444087 387292792 /nfs/dbraw/zinc/29/27/92/387292792.db2.gz WJXGXWIXGFRTKE-XQHKEYJVSA-N 2 1 236.384 2.397 20 0 BEADMP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(C)c1 ZINC000423443054 387293335 /nfs/dbraw/zinc/29/33/35/387293335.db2.gz ZWSXKZGROKEOTA-LJISPDSOSA-N 2 1 230.355 2.254 20 0 BEADMP Fc1ccc([C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CC2)cc1 ZINC000423445945 387295249 /nfs/dbraw/zinc/29/52/49/387295249.db2.gz YJRYLUGFFMXOGH-LJISPDSOSA-N 2 1 246.329 2.084 20 0 BEADMP COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000423444332 387295351 /nfs/dbraw/zinc/29/53/51/387295351.db2.gz LQJNOSZLFLLFDU-KWBADKCTSA-N 2 1 234.343 2.008 20 0 BEADMP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423447771 387298264 /nfs/dbraw/zinc/29/82/64/387298264.db2.gz AHVKRTXOQXLNTF-LDYHSIQDSA-N 2 1 242.366 2.351 20 0 BEADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000423449779 387299473 /nfs/dbraw/zinc/29/94/73/387299473.db2.gz SCJIYQINXSYXAH-WOPDTQHZSA-N 2 1 235.375 2.139 20 0 BEADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000423454981 387301480 /nfs/dbraw/zinc/30/14/80/387301480.db2.gz ZUPAQJOWVOIVBL-VWYCJHECSA-N 2 1 234.343 2.103 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2c1cccc2OC ZINC000423455204 387302390 /nfs/dbraw/zinc/30/23/90/387302390.db2.gz BZYPJYJNCHXJMG-GXFFZTMASA-N 2 1 234.343 2.009 20 0 BEADMP COc1c(C)cc(C[N@@H+](C)CCC[NH3+])cc1C ZINC000258847566 387302894 /nfs/dbraw/zinc/30/28/94/387302894.db2.gz WXOFPFRJXVBKSF-UHFFFAOYSA-N 2 1 236.359 2.093 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000258839823 387303000 /nfs/dbraw/zinc/30/30/00/387303000.db2.gz DQXSLOCYGNMMBT-VXGBXAGGSA-N 2 1 242.725 2.449 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCc2ccccc21 ZINC000423456201 387303250 /nfs/dbraw/zinc/30/32/50/387303250.db2.gz DKMGQTHAUHBFPO-OCCSQVGLSA-N 2 1 218.344 2.391 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1sccc1C ZINC000423456867 387304657 /nfs/dbraw/zinc/30/46/57/387304657.db2.gz DVHRYAXNBAMWHE-NXEZZACHSA-N 2 1 212.362 2.444 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000423472558 387318877 /nfs/dbraw/zinc/31/88/77/387318877.db2.gz QGPPNFUXJSXBPX-NWDGAFQWSA-N 2 1 235.375 2.141 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C1CCSCC1 ZINC000643501799 387355288 /nfs/dbraw/zinc/35/52/88/387355288.db2.gz QCNRMVBHKAPJFW-AAEUAGOBSA-N 2 1 242.432 2.250 20 0 BEADMP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423529244 387357694 /nfs/dbraw/zinc/35/76/94/387357694.db2.gz XMEVYWCTKBJSPC-KBPBESRZSA-N 2 1 248.370 2.024 20 0 BEADMP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])c(C)c1 ZINC000423480608 387360534 /nfs/dbraw/zinc/36/05/34/387360534.db2.gz WHERPHHILWSSGO-SRVKXCTJSA-N 2 1 236.359 2.390 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)[C@@H]1C[C@@H]1C ZINC000643502706 387362804 /nfs/dbraw/zinc/36/28/04/387362804.db2.gz ONQDNWGYGCUNON-RVMXOQNASA-N 2 1 210.365 2.153 20 0 BEADMP C[NH+](C)[C@@H]1CCC[N@H+](C2CCCC2)CC1 ZINC000336541590 387364057 /nfs/dbraw/zinc/36/40/57/387364057.db2.gz BIGVRUNQJFCVLB-GFCCVEGCSA-N 2 1 210.365 2.345 20 0 BEADMP CC[C@H]1C[C@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)CCO1 ZINC000648591540 387365090 /nfs/dbraw/zinc/36/50/90/387365090.db2.gz CFHZLLANZGWQEZ-MCIONIFRSA-N 2 1 242.407 2.262 20 0 BEADMP CC[C@H]1C[C@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)CCO1 ZINC000648591540 387365093 /nfs/dbraw/zinc/36/50/93/387365093.db2.gz CFHZLLANZGWQEZ-MCIONIFRSA-N 2 1 242.407 2.262 20 0 BEADMP C([NH2+][C@@H]1CCC12CCCC2)[C@@H]1CCCC[NH2+]1 ZINC000643502545 387365253 /nfs/dbraw/zinc/36/52/53/387365253.db2.gz JTSRJYQNRHCKLN-QWHCGFSZSA-N 2 1 222.376 2.441 20 0 BEADMP C([NH2+][C@@H]1CCC12CCCC2)[C@H]1CCCC[NH2+]1 ZINC000643502543 387365726 /nfs/dbraw/zinc/36/57/26/387365726.db2.gz JTSRJYQNRHCKLN-CHWSQXEVSA-N 2 1 222.376 2.441 20 0 BEADMP CCc1cccnc1[C@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423564919 387378010 /nfs/dbraw/zinc/37/80/10/387378010.db2.gz SLAOGKKJTZHTMP-LBPRGKRZSA-N 2 1 247.386 2.437 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000423477902 387323789 /nfs/dbraw/zinc/32/37/89/387323789.db2.gz UFWCDDLDWVQEJC-GWCFXTLKSA-N 2 1 234.343 2.097 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000390434498 387326971 /nfs/dbraw/zinc/32/69/71/387326971.db2.gz RIBXNODXNWHORH-CHWSQXEVSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000423479960 387327983 /nfs/dbraw/zinc/32/79/83/387327983.db2.gz VSEXVUSBGSKFOY-MJVIPROJSA-N 2 1 233.359 2.248 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000423482998 387329148 /nfs/dbraw/zinc/32/91/48/387329148.db2.gz XRJJVWWKBFEQDD-QMTHXVAHSA-N 2 1 234.343 2.105 20 0 BEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000354099579 387330057 /nfs/dbraw/zinc/33/00/57/387330057.db2.gz FXQUANQJOOORNT-CQSZACIVSA-N 2 1 242.407 2.075 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H](c1cccnc1)C(C)C ZINC000423485981 387331474 /nfs/dbraw/zinc/33/14/74/387331474.db2.gz ZHVRTQDBTBORJI-STQMWFEESA-N 2 1 221.348 2.106 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)[C@@H]1C ZINC000423505285 387342011 /nfs/dbraw/zinc/34/20/11/387342011.db2.gz OHAMOFNXIOGIJN-VCDKRKBESA-N 2 1 210.365 2.138 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1C[C@H]1C ZINC000321989879 387344725 /nfs/dbraw/zinc/34/47/25/387344725.db2.gz DWWGNUCUHUVTGH-AGIUHOORSA-N 2 1 212.381 2.351 20 0 BEADMP c1cnc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000643501130 387349257 /nfs/dbraw/zinc/34/92/57/387349257.db2.gz VMFDHUKTBMYNIJ-OCCSQVGLSA-N 2 1 245.370 2.048 20 0 BEADMP C[C@H](Cc1ccoc1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423518741 387353482 /nfs/dbraw/zinc/35/34/82/387353482.db2.gz ZRKOGZUNLVFRIU-BXUZGUMPSA-N 2 1 236.359 2.318 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000515859440 387431147 /nfs/dbraw/zinc/43/11/47/387431147.db2.gz RNBUGZRFWBLHMN-BFHYXJOUSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000515859440 387431150 /nfs/dbraw/zinc/43/11/50/387431150.db2.gz RNBUGZRFWBLHMN-BFHYXJOUSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643506664 387462012 /nfs/dbraw/zinc/46/20/12/387462012.db2.gz DUVWDFHESYKZQN-PJXYFTJBSA-N 2 1 210.365 2.153 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](CC)Cc1cccs1 ZINC000643505249 387449595 /nfs/dbraw/zinc/44/95/95/387449595.db2.gz UCTASXCNKYNAPO-LLVKDONJSA-N 2 1 226.389 2.268 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](C(C)C)[C@@H]1CCOC1 ZINC000361413975 387456639 /nfs/dbraw/zinc/45/66/39/387456639.db2.gz GLPUJJRNQYUONO-CQSZACIVSA-N 2 1 242.407 2.218 20 0 BEADMP C[C@H]([NH2+]CC[NH2+]C1CC1)C1CCCCC1 ZINC000643506347 387459761 /nfs/dbraw/zinc/45/97/61/387459761.db2.gz SMGBUGVBKLMLAY-NSHDSACASA-N 2 1 210.365 2.297 20 0 BEADMP CC(C)c1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])on1 ZINC000643455252 387391118 /nfs/dbraw/zinc/39/11/18/387391118.db2.gz PFHAQBOSRYNVFU-ZJUUUORDSA-N 2 1 225.336 2.013 20 0 BEADMP C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1c[nH+]ccc1N ZINC000643468308 387418698 /nfs/dbraw/zinc/41/86/98/387418698.db2.gz OMBPOJWXNIXIIW-NXEZZACHSA-N 2 1 219.332 2.191 20 0 BEADMP CCc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cn1 ZINC000352811446 387503736 /nfs/dbraw/zinc/50/37/36/387503736.db2.gz DHJRTJKHAYSZOX-GFCCVEGCSA-N 2 1 235.375 2.074 20 0 BEADMP Cc1cc(NC[C@H]2CC[N@H+](C3CC3)C2)cc[nH+]1 ZINC000162717099 387510115 /nfs/dbraw/zinc/51/01/15/387510115.db2.gz NVPHLFLLKLXRPP-GFCCVEGCSA-N 2 1 231.343 2.286 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000355295864 387516664 /nfs/dbraw/zinc/51/66/64/387516664.db2.gz SFJNGIMXPOVDQQ-HZSPNIEDSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[C@]1([NH2+]CC[C@@H]2CCC[N@H+]2C)CCOC1 ZINC000352825409 387530855 /nfs/dbraw/zinc/53/08/55/387530855.db2.gz PTUQUYODFHCMCR-KBPBESRZSA-N 2 1 240.391 2.020 20 0 BEADMP CO[C@H]1CC[N@H+](CCCC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000309996758 387532702 /nfs/dbraw/zinc/53/27/02/387532702.db2.gz YHRNEVZPNBXNDZ-OLZOCXBDSA-N 2 1 242.407 2.251 20 0 BEADMP CO[C@H]1CC[N@@H+](CCCC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000309996758 387532705 /nfs/dbraw/zinc/53/27/05/387532705.db2.gz YHRNEVZPNBXNDZ-OLZOCXBDSA-N 2 1 242.407 2.251 20 0 BEADMP COC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000361772909 387533841 /nfs/dbraw/zinc/53/38/41/387533841.db2.gz ZAFCOAFTZRDVQL-MCIONIFRSA-N 2 1 242.407 2.120 20 0 BEADMP COC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000361772909 387533846 /nfs/dbraw/zinc/53/38/46/387533846.db2.gz ZAFCOAFTZRDVQL-MCIONIFRSA-N 2 1 242.407 2.120 20 0 BEADMP CC[N@H+]1CC[C@H](N(C)CC2(F)CC2)C[C@@H]1C ZINC000527219148 387538848 /nfs/dbraw/zinc/53/88/48/387538848.db2.gz IHRZLMUDOXDWIL-RYUDHWBXSA-N 2 1 228.355 2.293 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCSC2)CC[N@H+]1C ZINC000304332841 387467213 /nfs/dbraw/zinc/46/72/13/387467213.db2.gz AOMXGNCCYIVOQJ-JHJVBQTASA-N 2 1 242.432 2.202 20 0 BEADMP C(C[NH2+][C@H]1CCC[C@@H](C2CC2)C1)[NH2+]C1CC1 ZINC000643507067 387474922 /nfs/dbraw/zinc/47/49/22/387474922.db2.gz RBWQRYYJHSCZRN-OCCSQVGLSA-N 2 1 222.376 2.297 20 0 BEADMP CC[C@H]1CCC[C@@H]([NH2+]CC[NH2+]C2CC2)C1 ZINC000643507022 387476151 /nfs/dbraw/zinc/47/61/51/387476151.db2.gz QBOLIYADXGPWJA-WCQYABFASA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]([NH2+]CCCC1CC1)c1c[nH+]ccc1N ZINC000516173902 387476712 /nfs/dbraw/zinc/47/67/12/387476712.db2.gz JKAMHAJSNKDXKY-SNVBAGLBSA-N 2 1 219.332 2.335 20 0 BEADMP CC[C@@H]1CCCC[C@@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507769 387479886 /nfs/dbraw/zinc/47/98/86/387479886.db2.gz PBAZKKZVOOQBQF-YPMHNXCESA-N 2 1 210.365 2.297 20 0 BEADMP C[C@H](C[NH2+]Cc1cccc(F)c1)C[NH+](C)C ZINC000291677669 387580446 /nfs/dbraw/zinc/58/04/46/387580446.db2.gz HHJDYMHNGCOBJU-LLVKDONJSA-N 2 1 224.323 2.113 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH+](C)CC2(F)CC2)[C@H](C)C1 ZINC000527511459 387590717 /nfs/dbraw/zinc/59/07/17/387590717.db2.gz RUJOHUIZRCQTFU-NEPJUHHUSA-N 2 1 228.355 2.151 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(F)CC2)[C@H](C)C1 ZINC000527511459 387590718 /nfs/dbraw/zinc/59/07/18/387590718.db2.gz RUJOHUIZRCQTFU-NEPJUHHUSA-N 2 1 228.355 2.151 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(F)CC2)[C@H](C)C1 ZINC000527511459 387590721 /nfs/dbraw/zinc/59/07/21/387590721.db2.gz RUJOHUIZRCQTFU-NEPJUHHUSA-N 2 1 228.355 2.151 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(F)CC2)[C@H](C)C1 ZINC000527511459 387590725 /nfs/dbraw/zinc/59/07/25/387590725.db2.gz RUJOHUIZRCQTFU-NEPJUHHUSA-N 2 1 228.355 2.151 20 0 BEADMP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(F)CC2)[C@@H](C)C1 ZINC000527511460 387591086 /nfs/dbraw/zinc/59/10/86/387591086.db2.gz RUJOHUIZRCQTFU-NWDGAFQWSA-N 2 1 228.355 2.151 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(F)CC2)[C@@H](C)C1 ZINC000527511460 387591090 /nfs/dbraw/zinc/59/10/90/387591090.db2.gz RUJOHUIZRCQTFU-NWDGAFQWSA-N 2 1 228.355 2.151 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(F)CC2)[C@@H](C)C1 ZINC000527511460 387591093 /nfs/dbraw/zinc/59/10/93/387591093.db2.gz RUJOHUIZRCQTFU-NWDGAFQWSA-N 2 1 228.355 2.151 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(F)CC2)[C@@H](C)C1 ZINC000527511460 387591095 /nfs/dbraw/zinc/59/10/95/387591095.db2.gz RUJOHUIZRCQTFU-NWDGAFQWSA-N 2 1 228.355 2.151 20 0 BEADMP Cc1nc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])c(C)s1 ZINC000643514782 387599909 /nfs/dbraw/zinc/59/99/09/387599909.db2.gz BUNQFXAQZTWJFR-HTQZYQBOSA-N 2 1 227.377 2.005 20 0 BEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCC1 ZINC000123945925 387600188 /nfs/dbraw/zinc/60/01/88/387600188.db2.gz NFYCYGBPVWDOJO-NDNKKMJESA-N 2 1 222.376 2.390 20 0 BEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(N)c2)C[C@@H]1C[NH3+] ZINC000422641331 387611176 /nfs/dbraw/zinc/61/11/76/387611176.db2.gz XQUJCNFXBUZMJN-BZPMIXESSA-N 2 1 247.386 2.074 20 0 BEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCCF)CC1 ZINC000375652372 387563454 /nfs/dbraw/zinc/56/34/54/387563454.db2.gz KZHSLTWDCSCNLL-GFCCVEGCSA-N 2 1 216.344 2.152 20 0 BEADMP CCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375762609 387579584 /nfs/dbraw/zinc/57/95/84/387579584.db2.gz KKASQUFGLFUGLX-FUNVUKJBSA-N 2 1 210.365 2.344 20 0 BEADMP CCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375762609 387579587 /nfs/dbraw/zinc/57/95/87/387579587.db2.gz KKASQUFGLFUGLX-FUNVUKJBSA-N 2 1 210.365 2.344 20 0 BEADMP CCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375762609 387579589 /nfs/dbraw/zinc/57/95/89/387579589.db2.gz KKASQUFGLFUGLX-FUNVUKJBSA-N 2 1 210.365 2.344 20 0 BEADMP CSC1(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)CCC1 ZINC000356227411 387631032 /nfs/dbraw/zinc/63/10/32/387631032.db2.gz VEGMQBUCIHFOJQ-LBPRGKRZSA-N 2 1 242.432 2.156 20 0 BEADMP CC(C)OCCC[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000430645219 387635438 /nfs/dbraw/zinc/63/54/38/387635438.db2.gz ZXQDHWKMEKRDTP-OLZOCXBDSA-N 2 1 228.380 2.003 20 0 BEADMP CC(C)OCCC[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000430645219 387635441 /nfs/dbraw/zinc/63/54/41/387635441.db2.gz ZXQDHWKMEKRDTP-OLZOCXBDSA-N 2 1 228.380 2.003 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1ccccc1 ZINC000422732469 387641555 /nfs/dbraw/zinc/64/15/55/387641555.db2.gz OKWPIFQVLQEABS-UKRRQHHQSA-N 2 1 232.371 2.207 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527636769 387647530 /nfs/dbraw/zinc/64/75/30/387647530.db2.gz DPTFUOZMFVDAFT-VZAMPYOESA-N 2 1 248.414 2.495 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527667987 387654538 /nfs/dbraw/zinc/65/45/38/387654538.db2.gz SOTNFLBSYZJUIK-GCPZOVCVSA-N 2 1 236.403 2.493 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527667987 387654541 /nfs/dbraw/zinc/65/45/41/387654541.db2.gz SOTNFLBSYZJUIK-GCPZOVCVSA-N 2 1 236.403 2.493 20 0 BEADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)ccn1 ZINC000527651604 387660982 /nfs/dbraw/zinc/66/09/82/387660982.db2.gz ZWYOLPDAVOUVLJ-HNNXBMFYSA-N 2 1 247.386 2.210 20 0 BEADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)ccn1 ZINC000527651604 387660985 /nfs/dbraw/zinc/66/09/85/387660985.db2.gz ZWYOLPDAVOUVLJ-HNNXBMFYSA-N 2 1 247.386 2.210 20 0 BEADMP CC(C)[C@@H](C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422773509 387671401 /nfs/dbraw/zinc/67/14/01/387671401.db2.gz UFYCKZKMFIFJAJ-QWRGUYRKSA-N 2 1 221.348 2.437 20 0 BEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC000422776275 387673387 /nfs/dbraw/zinc/67/33/87/387673387.db2.gz CMRZXKPSRKDRHC-IUCAKERBSA-N 2 1 228.286 2.180 20 0 BEADMP C[C@@H]1CC(CC[N@@H+]2CC[C@H](N)C2)C[C@@H](C)C1 ZINC000431084239 387675468 /nfs/dbraw/zinc/67/54/68/387675468.db2.gz KFTFVBNZEUZAIF-OBJOEFQTSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H]1CC(CC[N@@H+]2CC[C@H]([NH3+])C2)C[C@@H](C)C1 ZINC000431084239 387675480 /nfs/dbraw/zinc/67/54/80/387675480.db2.gz KFTFVBNZEUZAIF-OBJOEFQTSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H]1CC(CC[N@H+]2CC[C@H]([NH3+])C2)C[C@@H](C)C1 ZINC000431084239 387675484 /nfs/dbraw/zinc/67/54/84/387675484.db2.gz KFTFVBNZEUZAIF-OBJOEFQTSA-N 2 1 224.392 2.482 20 0 BEADMP CC(C)[C@H](O)CC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422788032 387686253 /nfs/dbraw/zinc/68/62/53/387686253.db2.gz VANHHNKOJYFUEA-RBSFLKMASA-N 2 1 248.370 2.128 20 0 BEADMP CC(C)[C@H](O)CC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422788034 387686691 /nfs/dbraw/zinc/68/66/91/387686691.db2.gz VANHHNKOJYFUEA-SOUVJXGZSA-N 2 1 248.370 2.128 20 0 BEADMP CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643526158 387749043 /nfs/dbraw/zinc/74/90/43/387749043.db2.gz RAABQHOYDVTECX-WDEREUQCSA-N 2 1 222.332 2.083 20 0 BEADMP CCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])s1 ZINC000422870627 387750817 /nfs/dbraw/zinc/75/08/17/387750817.db2.gz ZCRMOGZJYNSZNN-VXGBXAGGSA-N 2 1 224.373 2.280 20 0 BEADMP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](C)[NH3+])c1 ZINC000643525704 387751332 /nfs/dbraw/zinc/75/13/32/387751332.db2.gz BNJTVRMEHZGOAF-NWDGAFQWSA-N 2 1 206.333 2.301 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCCS1)c1c[nH+]ccc1N ZINC000422874301 387751356 /nfs/dbraw/zinc/75/13/56/387751356.db2.gz NHTBYVDBEDVVBE-NXEZZACHSA-N 2 1 237.372 2.040 20 0 BEADMP COc1cc(C)ccc1C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000422872725 387752994 /nfs/dbraw/zinc/75/29/94/387752994.db2.gz IKOWHEBHMJXTGU-CHWSQXEVSA-N 2 1 248.370 2.091 20 0 BEADMP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](C)[NH3+])c1 ZINC000643525703 387753444 /nfs/dbraw/zinc/75/34/44/387753444.db2.gz BNJTVRMEHZGOAF-NEPJUHHUSA-N 2 1 206.333 2.301 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CC12CC2 ZINC000527846515 387753532 /nfs/dbraw/zinc/75/35/32/387753532.db2.gz FPKRAKOIHQRHSD-SGMGOOAPSA-N 2 1 234.387 2.249 20 0 BEADMP C[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)[C@H]1CC12CC2 ZINC000527849550 387754774 /nfs/dbraw/zinc/75/47/74/387754774.db2.gz MDKDKANAURNFSC-CYZMBNFOSA-N 2 1 222.376 2.105 20 0 BEADMP CC[C@@H]([NH2+]CCc1ccsc1)[C@@H]1CCC[NH2+]1 ZINC000422809117 387708594 /nfs/dbraw/zinc/70/85/94/387708594.db2.gz PGBYFBGBSZTJAO-OLZOCXBDSA-N 2 1 238.400 2.411 20 0 BEADMP CCOCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422810920 387709559 /nfs/dbraw/zinc/70/95/59/387709559.db2.gz SMOBHGQAPZPHBP-HUUCEWRRSA-N 2 1 248.370 2.193 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H](OC)C(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000422812439 387711439 /nfs/dbraw/zinc/71/14/39/387711439.db2.gz QIQVNLBTLAROEM-FRRDWIJNSA-N 2 1 242.407 2.168 20 0 BEADMP CO[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)C(C)(C)C ZINC000422813740 387712403 /nfs/dbraw/zinc/71/24/03/387712403.db2.gz SHSKBMYANXIAOY-XQQFMLRXSA-N 2 1 242.407 2.168 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)cn1 ZINC000643522562 387719761 /nfs/dbraw/zinc/71/97/61/387719761.db2.gz PJFSGWJUMSGJES-ZYHUDNBSSA-N 2 1 237.322 2.013 20 0 BEADMP CCc1cccnc1[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522608 387720134 /nfs/dbraw/zinc/72/01/34/387720134.db2.gz QCPNMPNSAQDZMT-JSGCOSHPSA-N 2 1 247.386 2.437 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000038076855 177900421 /nfs/dbraw/zinc/90/04/21/177900421.db2.gz DKLFHWFQAIVQTC-CQSZACIVSA-N 2 1 232.371 2.474 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000050245548 177900085 /nfs/dbraw/zinc/90/00/85/177900085.db2.gz CWSAHOCOKYKJDB-ZDUSSCGKSA-N 2 1 218.344 2.084 20 0 BEADMP CCOCc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422831968 387726617 /nfs/dbraw/zinc/72/66/17/387726617.db2.gz KMIMRVWONRHEPA-CABCVRRESA-N 2 1 248.370 2.193 20 0 BEADMP Cc1cccc(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000309432077 387729164 /nfs/dbraw/zinc/72/91/64/387729164.db2.gz ACXDQKGQFBDBCG-UHFFFAOYSA-N 2 1 218.344 2.180 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)c(C)n1 ZINC000643525818 387755821 /nfs/dbraw/zinc/75/58/21/387755821.db2.gz QQQHSBNKUWMOEJ-XBFCOCLRSA-N 2 1 247.386 2.490 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cscn1 ZINC000643524116 387738474 /nfs/dbraw/zinc/73/84/74/387738474.db2.gz KHAJQEQZQBKIPF-LPEHRKFASA-N 2 1 225.361 2.064 20 0 BEADMP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)s1 ZINC000643524911 387740548 /nfs/dbraw/zinc/74/05/48/387740548.db2.gz WOPIDDIKRMEFHB-WCABBAIRSA-N 2 1 239.388 2.100 20 0 BEADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@H](C)[NH3+] ZINC000643527357 387762543 /nfs/dbraw/zinc/76/25/43/387762543.db2.gz LLPOAGUYJRWNQH-HZMBPMFUSA-N 2 1 248.370 2.354 20 0 BEADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422899108 387765370 /nfs/dbraw/zinc/76/53/70/387765370.db2.gz GRUYVYFGXWAUBB-WOPDTQHZSA-N 2 1 249.358 2.102 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000643528296 387767964 /nfs/dbraw/zinc/76/79/64/387767964.db2.gz GQAVOENGGCGAPD-RKDXNWHRSA-N 2 1 224.373 2.235 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000643528196 387768502 /nfs/dbraw/zinc/76/85/02/387768502.db2.gz FJEDJRUHGITRNZ-NOZJJQNGSA-N 2 1 222.307 2.214 20 0 BEADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])s1 ZINC000643528928 387773053 /nfs/dbraw/zinc/77/30/53/387773053.db2.gz QVUNUDBPVPUZQS-RKDXNWHRSA-N 2 1 212.362 2.308 20 0 BEADMP CCC[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(OC)cc1 ZINC000643529290 387776375 /nfs/dbraw/zinc/77/63/75/387776375.db2.gz YCIVXQBEVLQPLD-SMDDNHRTSA-N 2 1 236.359 2.473 20 0 BEADMP C[C@H]([NH2+]CC1(C)CCC1)c1c[nH+]ccc1N ZINC000422923492 387777401 /nfs/dbraw/zinc/77/74/01/387777401.db2.gz WJDQJLWGJQOHHJ-JTQLQIEISA-N 2 1 219.332 2.335 20 0 BEADMP C[C@H]([NH2+][C@H]1C[C@@H]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422925046 387777685 /nfs/dbraw/zinc/77/76/85/387777685.db2.gz UYEFJSUMHCSKDX-TUUVXOQKSA-N 2 1 244.382 2.348 20 0 BEADMP CCCC1(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422929201 387781206 /nfs/dbraw/zinc/78/12/06/387781206.db2.gz ORNWFJURQGSDNM-RYUDHWBXSA-N 2 1 210.365 2.154 20 0 BEADMP CC[N@H+](C[C@@H](C)[NH3+])[C@@H](C)c1cccc(OC)c1 ZINC000442653423 387812662 /nfs/dbraw/zinc/81/26/62/387812662.db2.gz VYFIFWSOBMQLLS-NEPJUHHUSA-N 2 1 236.359 2.425 20 0 BEADMP CC[N@@H+](C[C@@H](C)[NH3+])[C@@H](C)c1cccc(OC)c1 ZINC000442653423 387812666 /nfs/dbraw/zinc/81/26/66/387812666.db2.gz VYFIFWSOBMQLLS-NEPJUHHUSA-N 2 1 236.359 2.425 20 0 BEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@H]1CC12CC2 ZINC000527918343 387788056 /nfs/dbraw/zinc/78/80/56/387788056.db2.gz WDLKUYWBIJRZNZ-BFHYXJOUSA-N 2 1 236.403 2.497 20 0 BEADMP CCC[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432424865 387788992 /nfs/dbraw/zinc/78/89/92/387788992.db2.gz KEYPZWMOGLYQDQ-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432424865 387788994 /nfs/dbraw/zinc/78/89/94/387788994.db2.gz KEYPZWMOGLYQDQ-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)OCC ZINC000527931940 387795139 /nfs/dbraw/zinc/79/51/39/387795139.db2.gz ONFWXFBPOPPQRD-BFHYXJOUSA-N 2 1 242.407 2.121 20 0 BEADMP Cc1ncccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000527983054 387799964 /nfs/dbraw/zinc/79/99/64/387799964.db2.gz BTTHFXRXLHLRCQ-YWPYICTPSA-N 2 1 247.386 2.208 20 0 BEADMP Cc1ncccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000527983054 387799965 /nfs/dbraw/zinc/79/99/65/387799965.db2.gz BTTHFXRXLHLRCQ-YWPYICTPSA-N 2 1 247.386 2.208 20 0 BEADMP C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000422994599 387803121 /nfs/dbraw/zinc/80/31/21/387803121.db2.gz VWEOONVUFKEQAU-DCAQKATOSA-N 2 1 232.318 2.294 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1c[nH+]ccc1N ZINC000422953609 387809165 /nfs/dbraw/zinc/80/91/65/387809165.db2.gz FWHHBZGGXCIDMN-ZJUUUORDSA-N 2 1 219.332 2.191 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CC12CC2 ZINC000527852999 387758474 /nfs/dbraw/zinc/75/84/74/387758474.db2.gz SAOAJRMNZLNELG-IGQOVBAYSA-N 2 1 234.387 2.391 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CC12CC2 ZINC000527852999 387758482 /nfs/dbraw/zinc/75/84/82/387758482.db2.gz SAOAJRMNZLNELG-IGQOVBAYSA-N 2 1 234.387 2.391 20 0 BEADMP Cc1occc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000320976993 387824975 /nfs/dbraw/zinc/82/49/75/387824975.db2.gz PKGYZTRRVQZIIA-UONOGXRCSA-N 2 1 234.343 2.304 20 0 BEADMP Cc1occc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000320976993 387824979 /nfs/dbraw/zinc/82/49/79/387824979.db2.gz PKGYZTRRVQZIIA-UONOGXRCSA-N 2 1 234.343 2.304 20 0 BEADMP CC(C)CSCCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423009564 387834148 /nfs/dbraw/zinc/83/41/48/387834148.db2.gz DJALZZCDZUMZMM-STQMWFEESA-N 2 1 244.448 2.353 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000424164577 387848265 /nfs/dbraw/zinc/84/82/65/387848265.db2.gz CLZUYVODVWCFBV-JSGCOSHPSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCCCS1)[C@H]1CCCC[NH2+]1 ZINC000423033272 387849849 /nfs/dbraw/zinc/84/98/49/387849849.db2.gz NXZCDPAUSGAECU-JHJVBQTASA-N 2 1 242.432 2.392 20 0 BEADMP CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423042235 387854710 /nfs/dbraw/zinc/85/47/10/387854710.db2.gz YTGLDEJHWUOTKF-GUBZILKMSA-N 2 1 238.297 2.448 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1c[nH+]ccc1N ZINC000423064522 387867545 /nfs/dbraw/zinc/86/75/45/387867545.db2.gz RNODIVZCJBCJTD-VWYCJHECSA-N 2 1 219.332 2.333 20 0 BEADMP CCC(O)(CC)CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423066274 387869074 /nfs/dbraw/zinc/86/90/74/387869074.db2.gz DHSWEGUDQHVBBT-CHWSQXEVSA-N 2 1 242.407 2.048 20 0 BEADMP CCC(O)(CC)CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423066275 387870786 /nfs/dbraw/zinc/87/07/86/387870786.db2.gz DHSWEGUDQHVBBT-OLZOCXBDSA-N 2 1 242.407 2.048 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000309512973 387814101 /nfs/dbraw/zinc/81/41/01/387814101.db2.gz QFTVEKYENOXINF-LLVKDONJSA-N 2 1 221.348 2.131 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC1=CCCCC1 ZINC000422968399 387818106 /nfs/dbraw/zinc/81/81/06/387818106.db2.gz WSPVZXIUMCHGDX-GXTWGEPZSA-N 2 1 222.376 2.465 20 0 BEADMP C[C@H]([NH2+]CCC1(F)CCC1)c1c[nH+]ccc1N ZINC000423115172 387895653 /nfs/dbraw/zinc/89/56/53/387895653.db2.gz XMIQJZQUKIZPPE-JTQLQIEISA-N 2 1 237.322 2.427 20 0 BEADMP C[C@H]([NH2+]CC1(C(F)(F)F)CC1)[C@H]1CCC[NH2+]1 ZINC000423116044 387897624 /nfs/dbraw/zinc/89/76/24/387897624.db2.gz ZIVPPHMHOJSBNL-DTWKUNHWSA-N 2 1 236.281 2.059 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000423117617 387898388 /nfs/dbraw/zinc/89/83/88/387898388.db2.gz WGAIUBRWQNAMFQ-WOPDTQHZSA-N 2 1 246.345 2.400 20 0 BEADMP C[C@H]([NH2+]CCC1(C)CC1)c1c[nH+]ccc1N ZINC000423081654 387878097 /nfs/dbraw/zinc/87/80/97/387878097.db2.gz BTVFQZPCWRBHSC-JTQLQIEISA-N 2 1 219.332 2.335 20 0 BEADMP CC[C@](C)(C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)OC ZINC000322518373 387878584 /nfs/dbraw/zinc/87/85/84/387878584.db2.gz KYEOBZAGSICWPT-HZSPNIEDSA-N 2 1 240.391 2.018 20 0 BEADMP CC[C@](C)(C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)OC ZINC000322518373 387878593 /nfs/dbraw/zinc/87/85/93/387878593.db2.gz KYEOBZAGSICWPT-HZSPNIEDSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H]([NH2+]CCC1(C)CC1)c1c[nH+]ccc1N ZINC000423081655 387879189 /nfs/dbraw/zinc/87/91/89/387879189.db2.gz BTVFQZPCWRBHSC-SNVBAGLBSA-N 2 1 219.332 2.335 20 0 BEADMP CC(C)SCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423099112 387886544 /nfs/dbraw/zinc/88/65/44/387886544.db2.gz AIQLQCDHBQZNHV-JTQLQIEISA-N 2 1 239.388 2.286 20 0 BEADMP COCC(C)(C)CCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423133092 387910211 /nfs/dbraw/zinc/91/02/11/387910211.db2.gz VIGPLBVWFFEPBP-CHWSQXEVSA-N 2 1 242.407 2.027 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCCC1(C)C ZINC000423137245 387913558 /nfs/dbraw/zinc/91/35/58/387913558.db2.gz QJJNECLRYLEGOM-UPJWGTAASA-N 2 1 224.392 2.400 20 0 BEADMP CCc1cc(N[C@H]2CC[C@H]([NH3+])CC2)nc(C)[nH+]1 ZINC000321871137 387916588 /nfs/dbraw/zinc/91/65/88/387916588.db2.gz HPBFXHHZTKZMKZ-UMSPYCQHSA-N 2 1 234.347 2.029 20 0 BEADMP CC[C@H](C)[C@@H](C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1)OC ZINC000423152468 387931815 /nfs/dbraw/zinc/93/18/15/387931815.db2.gz FEMSMKPBRPPBLE-XDQVBPFNSA-N 2 1 242.407 2.168 20 0 BEADMP Cc1occc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000321030039 387933243 /nfs/dbraw/zinc/93/32/43/387933243.db2.gz XMMGPFUYTBRZKS-LBPRGKRZSA-N 2 1 234.343 2.162 20 0 BEADMP Cc1occc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000321030039 387933248 /nfs/dbraw/zinc/93/32/48/387933248.db2.gz XMMGPFUYTBRZKS-LBPRGKRZSA-N 2 1 234.343 2.162 20 0 BEADMP C[C@@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)C1C[NH2+]C1 ZINC000423156291 387933952 /nfs/dbraw/zinc/93/39/52/387933952.db2.gz LADCOTGEJBQFBW-JTNHKYCSSA-N 2 1 246.354 2.096 20 0 BEADMP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423155337 387934533 /nfs/dbraw/zinc/93/45/33/387934533.db2.gz IZIHXKAUWIWWMW-AAVRWANBSA-N 2 1 224.392 2.400 20 0 BEADMP CC/C=C/C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423155078 387934618 /nfs/dbraw/zinc/93/46/18/387934618.db2.gz ITJYVUSLZHXWCS-YEZKRMTDSA-N 2 1 205.305 2.111 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423157184 387936068 /nfs/dbraw/zinc/93/60/68/387936068.db2.gz UUHQBVFTHYRFLI-AXFHLTTASA-N 2 1 219.332 2.191 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000423157242 387936304 /nfs/dbraw/zinc/93/63/04/387936304.db2.gz VBMJNCFXNOQIPI-MXWKQRLJSA-N 2 1 232.318 2.009 20 0 BEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000423145450 387923762 /nfs/dbraw/zinc/92/37/62/387923762.db2.gz KROIIFBEYNSCBR-WYUUTHIRSA-N 2 1 214.328 2.127 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CCOC2CCCC2)CC[N@H+]1C ZINC000156147205 387926941 /nfs/dbraw/zinc/92/69/41/387926941.db2.gz RUICNPXDCJYEDF-STQMWFEESA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1C[C@H]1C ZINC000321159188 387954245 /nfs/dbraw/zinc/95/42/45/387954245.db2.gz XBTPULVAWUTXJN-ITGHMWBKSA-N 2 1 222.376 2.247 20 0 BEADMP C[N@H+](CC1=CCCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000645807752 387954626 /nfs/dbraw/zinc/95/46/26/387954626.db2.gz AFSGITWSKYHKDT-CQSZACIVSA-N 2 1 222.376 2.370 20 0 BEADMP C[NH+](CC1=CCCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000645807752 387954630 /nfs/dbraw/zinc/95/46/30/387954630.db2.gz AFSGITWSKYHKDT-CQSZACIVSA-N 2 1 222.376 2.370 20 0 BEADMP C[NH+](CC1=CCCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000645807752 387954634 /nfs/dbraw/zinc/95/46/34/387954634.db2.gz AFSGITWSKYHKDT-CQSZACIVSA-N 2 1 222.376 2.370 20 0 BEADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044535201 387938146 /nfs/dbraw/zinc/93/81/46/387938146.db2.gz ONXDOIKKFHVVQH-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1C[C@H]1C ZINC000321069964 387943403 /nfs/dbraw/zinc/94/34/03/387943403.db2.gz KGEXTQKKCVOCPQ-GYSYKLTISA-N 2 1 222.376 2.247 20 0 BEADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)[C@H]1C[C@@H]1C ZINC000321070012 387944145 /nfs/dbraw/zinc/94/41/45/387944145.db2.gz KGSAJKQINZFVRT-DRZSPHRISA-N 2 1 221.348 2.216 20 0 BEADMP CC[C@@H]([NH2+]CCc1ccc(C)cn1)[C@@H]1CCC[NH2+]1 ZINC000423163579 387945154 /nfs/dbraw/zinc/94/51/54/387945154.db2.gz MVIMIUSLAXIVIV-CABCVRRESA-N 2 1 247.386 2.053 20 0 BEADMP C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1c[nH+]ccc1N ZINC000423176921 387961535 /nfs/dbraw/zinc/96/15/35/387961535.db2.gz GOVNBPPBISSRSJ-OPRDCNLKSA-N 2 1 237.372 2.039 20 0 BEADMP C[C@@H]1CC[C@@H](C)[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245593204 387963241 /nfs/dbraw/zinc/96/32/41/387963241.db2.gz GTVWDZDQMYCWBA-JHJVBQTASA-N 2 1 210.365 2.344 20 0 BEADMP CC[C@H](C)C[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245589794 387963741 /nfs/dbraw/zinc/96/37/41/387963741.db2.gz FYJRRRQXCOKMFO-QWHCGFSZSA-N 2 1 212.381 2.449 20 0 BEADMP CC[C@H](C)C[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000245589794 387963744 /nfs/dbraw/zinc/96/37/44/387963744.db2.gz FYJRRRQXCOKMFO-QWHCGFSZSA-N 2 1 212.381 2.449 20 0 BEADMP CC[C@H](C)C[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000245589794 387963750 /nfs/dbraw/zinc/96/37/50/387963750.db2.gz FYJRRRQXCOKMFO-QWHCGFSZSA-N 2 1 212.381 2.449 20 0 BEADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423178354 387963939 /nfs/dbraw/zinc/96/39/39/387963939.db2.gz BVSARIMGGQNNGK-QNWHQSFQSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424321182 387968874 /nfs/dbraw/zinc/96/88/74/387968874.db2.gz GYAODFBZGZXMSR-VJFWYMLFSA-N 2 1 236.403 2.493 20 0 BEADMP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@H]1CC1(C)C ZINC000423188641 387972831 /nfs/dbraw/zinc/97/28/31/387972831.db2.gz LXZMPCRTSQRISR-TUAOUCFPSA-N 2 1 210.365 2.153 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@H]1CC1(C)C ZINC000423188642 387973274 /nfs/dbraw/zinc/97/32/74/387973274.db2.gz LXZMPCRTSQRISR-UTUOFQBUSA-N 2 1 210.365 2.153 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453068860 387978312 /nfs/dbraw/zinc/97/83/12/387978312.db2.gz TVYMFRFXPSYVCW-SWLSCSKDSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1cn[nH]c1 ZINC000423205902 387991613 /nfs/dbraw/zinc/99/16/13/387991613.db2.gz WCBUWSCRFABTGH-NSHDSACASA-N 2 1 236.363 2.112 20 0 BEADMP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1cn[nH]c1 ZINC000423205901 387991895 /nfs/dbraw/zinc/99/18/95/387991895.db2.gz WCBUWSCRFABTGH-LLVKDONJSA-N 2 1 236.363 2.112 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(CO)c1 ZINC000424369865 387994985 /nfs/dbraw/zinc/99/49/85/387994985.db2.gz CPRYXGXGLHWLKM-KCPJHIHWSA-N 2 1 248.370 2.099 20 0 BEADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccncc1 ZINC000453094589 387982286 /nfs/dbraw/zinc/98/22/86/387982286.db2.gz VCMMEWCTOWPDFA-AWEZNQCLSA-N 2 1 244.342 2.327 20 0 BEADMP CC[C@@H]([NH2+]CCC[NH2+]C)c1ccccc1F ZINC000423197759 387983644 /nfs/dbraw/zinc/98/36/44/387983644.db2.gz AXUXVCSUVGHMMX-CYBMUJFWSA-N 2 1 224.323 2.476 20 0 BEADMP C[NH2+]CCC[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000423198099 387984504 /nfs/dbraw/zinc/98/45/04/387984504.db2.gz DCKPVNBHVHUKSY-AWEZNQCLSA-N 2 1 248.370 2.408 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)[C@H](C)C1 ZINC000424349611 387985536 /nfs/dbraw/zinc/98/55/36/387985536.db2.gz MDGUAVMUJOPKOE-RGDJUOJXSA-N 2 1 222.376 2.105 20 0 BEADMP C[NH2+]CCC[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000423198914 387986764 /nfs/dbraw/zinc/98/67/64/387986764.db2.gz IQELKJLWKUAKSS-GFCCVEGCSA-N 2 1 236.359 2.492 20 0 BEADMP Cc1ccnc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000423214585 387997748 /nfs/dbraw/zinc/99/77/48/387997748.db2.gz PFXVEBGAQRJSFE-QWHCGFSZSA-N 2 1 233.359 2.040 20 0 BEADMP Cc1ccnc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423215405 387998190 /nfs/dbraw/zinc/99/81/90/387998190.db2.gz NSDIKIMSDFUXHS-ICIURTGMSA-N 2 1 245.370 2.324 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424375935 387999501 /nfs/dbraw/zinc/99/95/01/387999501.db2.gz KUSMSFOZPDDWJO-PYJNHQTQSA-N 2 1 222.376 2.010 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423217067 388000332 /nfs/dbraw/zinc/00/03/32/388000332.db2.gz RLRVFSRIVJMSES-RZFFKMDDSA-N 2 1 230.355 2.130 20 0 BEADMP CSCC[C@H](C)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000252690072 135097371 /nfs/dbraw/zinc/09/73/71/135097371.db2.gz TWDQYWZOJIZKNF-RYUDHWBXSA-N 2 1 230.421 2.059 20 0 BEADMP C[NH2+]CC[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000423226363 388009390 /nfs/dbraw/zinc/00/93/90/388009390.db2.gz QLJUFVLLRACDTR-AWEZNQCLSA-N 2 1 238.350 2.202 20 0 BEADMP C[NH2+]CC[NH2+][C@H]1CCC[C@H](CC(C)C)C1 ZINC000423240003 388024374 /nfs/dbraw/zinc/02/43/74/388024374.db2.gz GRIUCJUMDHZBOH-OLZOCXBDSA-N 2 1 212.381 2.400 20 0 BEADMP C[NH2+]CC[NH2+][C@H]1CCCCC12CCCC2 ZINC000423235379 388018134 /nfs/dbraw/zinc/01/81/34/388018134.db2.gz AQWQJVKUCKZJSS-LBPRGKRZSA-N 2 1 210.365 2.298 20 0 BEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C2CCC1CC2 ZINC000533237356 388034323 /nfs/dbraw/zinc/03/43/23/388034323.db2.gz QTNBTJPCXIYXFK-IYXRBSQSSA-N 2 1 222.376 2.488 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000423252997 388035852 /nfs/dbraw/zinc/03/58/52/388035852.db2.gz YDBSCADFFJJQBL-HNNXBMFYSA-N 2 1 232.371 2.207 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H](CC)C1CC1 ZINC000156819659 388036907 /nfs/dbraw/zinc/03/69/07/388036907.db2.gz FPYQVZGRTYZSIT-CYBMUJFWSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H](CC)C1CC1 ZINC000156819659 388036910 /nfs/dbraw/zinc/03/69/10/388036910.db2.gz FPYQVZGRTYZSIT-CYBMUJFWSA-N 2 1 212.381 2.497 20 0 BEADMP CCc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH2+]C)o1 ZINC000423265587 388037562 /nfs/dbraw/zinc/03/75/62/388037562.db2.gz CHOLKUGDUXGIMG-MNOVXSKESA-N 2 1 224.348 2.348 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000423259415 388038309 /nfs/dbraw/zinc/03/83/09/388038309.db2.gz DRJRHEQBYKWPPX-MFKMUULPSA-N 2 1 224.323 2.460 20 0 BEADMP COCC1CCC([NH2+][C@@H](C[NH3+])CC(C)C)CC1 ZINC000423257898 388038848 /nfs/dbraw/zinc/03/88/48/388038848.db2.gz AOAFPJWXOSKZTL-JXQTWKCFSA-N 2 1 242.407 2.155 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccncc1 ZINC000423258092 388039445 /nfs/dbraw/zinc/03/94/45/388039445.db2.gz AYYCCUNVHMIVAT-DGCLKSJQSA-N 2 1 221.348 2.106 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000453303018 388039988 /nfs/dbraw/zinc/03/99/88/388039988.db2.gz BAXWELFZJNIBHZ-GZBLMMOJSA-N 2 1 236.403 2.495 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCc2ccccc21 ZINC000423262704 388040133 /nfs/dbraw/zinc/04/01/33/388040133.db2.gz NFHMJSKZABALDG-KGLIPLIRSA-N 2 1 218.344 2.247 20 0 BEADMP C[C@H](CCCC[NH3+])[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423262188 388040428 /nfs/dbraw/zinc/04/04/28/388040428.db2.gz LYEAELALORBXBM-TZMCWYRMSA-N 3 1 241.423 2.001 20 0 BEADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)C1CC1 ZINC000423265096 388044588 /nfs/dbraw/zinc/04/45/88/388044588.db2.gz AROJGWSSTMMKAP-HUUCEWRRSA-N 2 1 230.355 2.391 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)C1CCSCC1 ZINC000423263477 388042470 /nfs/dbraw/zinc/04/24/70/388042470.db2.gz OKWAQBHKDGMTNQ-WCQYABFASA-N 2 1 244.448 2.481 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCc2c1cccc2F ZINC000423263619 388042750 /nfs/dbraw/zinc/04/27/50/388042750.db2.gz BEOLTCIFNNCGEH-UONOGXRCSA-N 2 1 236.334 2.386 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000423265239 388044606 /nfs/dbraw/zinc/04/46/06/388044606.db2.gz CRODXQRNFCBDQC-KGLIPLIRSA-N 2 1 236.334 2.386 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000423265237 388044613 /nfs/dbraw/zinc/04/46/13/388044613.db2.gz CRODXQRNFCBDQC-KBPBESRZSA-N 2 1 236.334 2.386 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000423271972 388051046 /nfs/dbraw/zinc/05/10/46/388051046.db2.gz JNDRSFLUHLLPKC-NXEZZACHSA-N 2 1 242.313 2.471 20 0 BEADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)C1C(C)(C)C1(C)C ZINC000423273830 388052400 /nfs/dbraw/zinc/05/24/00/388052400.db2.gz JOHMHRGIDQSJPM-KOLCDFICSA-N 2 1 224.392 2.384 20 0 BEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)C1C(C)(C)C1(C)C ZINC000423273829 388053672 /nfs/dbraw/zinc/05/36/72/388053672.db2.gz JOHMHRGIDQSJPM-GXSJLCMTSA-N 2 1 224.392 2.384 20 0 BEADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H](C[NH3+])C1CC1)CC2 ZINC000423274398 388054836 /nfs/dbraw/zinc/05/48/36/388054836.db2.gz KIIRVPIUDZWFFQ-LSDHHAIUSA-N 2 1 246.354 2.009 20 0 BEADMP CCC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1cccnc1 ZINC000423274533 388055294 /nfs/dbraw/zinc/05/52/94/388055294.db2.gz MEYXVSIZONJWOK-ZIAGYGMSSA-N 2 1 235.375 2.496 20 0 BEADMP CCC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1cccnc1 ZINC000423274532 388055661 /nfs/dbraw/zinc/05/56/61/388055661.db2.gz MEYXVSIZONJWOK-UONOGXRCSA-N 2 1 235.375 2.496 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCc2occc21 ZINC000423275832 388057070 /nfs/dbraw/zinc/05/70/70/388057070.db2.gz NRGZKKXFTWWWEB-JQWIXIFHSA-N 2 1 222.332 2.102 20 0 BEADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C[NH3+])C1CC1)CC2 ZINC000423277782 388058315 /nfs/dbraw/zinc/05/83/15/388058315.db2.gz OQNBEJHZZBPSSB-CABCVRRESA-N 2 1 230.355 2.309 20 0 BEADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H](C[NH3+])C1CC1 ZINC000423277166 388058715 /nfs/dbraw/zinc/05/87/15/388058715.db2.gz NTRSXWLDHHKXSZ-ADEWGFFLSA-N 2 1 210.365 2.138 20 0 BEADMP CCOc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423278684 388059506 /nfs/dbraw/zinc/05/95/06/388059506.db2.gz QDIREWNGNUWXIW-NHYWBVRUSA-N 2 1 248.370 2.473 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccccc1 ZINC000083764374 388060306 /nfs/dbraw/zinc/06/03/06/388060306.db2.gz VLWVBDOGUMDHFG-CYBMUJFWSA-N 2 1 206.333 2.294 20 0 BEADMP CO[C@@H](C)[C@@H](C)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423279899 388061512 /nfs/dbraw/zinc/06/15/12/388061512.db2.gz RZSUGOGHLKZMHY-OLZOCXBDSA-N 2 1 242.407 2.312 20 0 BEADMP COc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423279612 388062738 /nfs/dbraw/zinc/06/27/38/388062738.db2.gz RQUDMGOTUQIVRV-IINYFYTJSA-N 2 1 234.343 2.083 20 0 BEADMP CO[C@H](C)[C@H](C)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423279900 388062782 /nfs/dbraw/zinc/06/27/82/388062782.db2.gz RZSUGOGHLKZMHY-QWHCGFSZSA-N 2 1 242.407 2.312 20 0 BEADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cccnc1 ZINC000423282645 388066111 /nfs/dbraw/zinc/06/61/11/388066111.db2.gz DBQFLDJMALSNOG-NSHDSACASA-N 2 1 221.348 2.250 20 0 BEADMP COC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C(C)C ZINC000453386256 388067355 /nfs/dbraw/zinc/06/73/55/388067355.db2.gz ALGHAOWZTBFARA-AWEZNQCLSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)CCO1 ZINC000453387787 388067382 /nfs/dbraw/zinc/06/73/82/388067382.db2.gz BFQXRSHIUUJALD-QWHCGFSZSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1ccncc1[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423284480 388067831 /nfs/dbraw/zinc/06/78/31/388067831.db2.gz YBKVWTFQOWNXBZ-YPMHNXCESA-N 2 1 221.348 2.024 20 0 BEADMP COC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C(C)C ZINC000453386258 388068062 /nfs/dbraw/zinc/06/80/62/388068062.db2.gz ALGHAOWZTBFARA-CQSZACIVSA-N 2 1 242.407 2.121 20 0 BEADMP [NH3+]C[C@@H]([NH2+][C@H]1CCCc2sccc21)C1CC1 ZINC000423285798 388069619 /nfs/dbraw/zinc/06/96/19/388069619.db2.gz YSVSWGWYJGAULI-NWDGAFQWSA-N 2 1 236.384 2.452 20 0 BEADMP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423287214 388070692 /nfs/dbraw/zinc/07/06/92/388070692.db2.gz KWWZPXVZVLKNQS-WCQYABFASA-N 2 1 236.359 2.090 20 0 BEADMP C[C@@H]1CC[C@H](C)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000084048332 388070923 /nfs/dbraw/zinc/07/09/23/388070923.db2.gz OKOUGHNLHWSCFE-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCOCC1)C1CC1 ZINC000453397541 388071266 /nfs/dbraw/zinc/07/12/66/388071266.db2.gz JPGJBTAUORQEGF-CYBMUJFWSA-N 2 1 240.391 2.020 20 0 BEADMP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423287213 388071362 /nfs/dbraw/zinc/07/13/62/388071362.db2.gz KWWZPXVZVLKNQS-DGCLKSJQSA-N 2 1 236.359 2.090 20 0 BEADMP CCC[C@@H]([NH2+]CC(C)(C)[NH3+])c1cccnc1 ZINC000423286901 388071416 /nfs/dbraw/zinc/07/14/16/388071416.db2.gz JIJBEHRNEFBBJM-GFCCVEGCSA-N 2 1 221.348 2.250 20 0 BEADMP C[N@@H+](CCCC[NH2+][C@H]1CCCSC1)C1CC1 ZINC000453411699 388077121 /nfs/dbraw/zinc/07/71/21/388077121.db2.gz VZDLYQCCRAZZQH-LBPRGKRZSA-N 2 1 242.432 2.346 20 0 BEADMP CSC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000336658273 388077260 /nfs/dbraw/zinc/07/72/60/388077260.db2.gz BHMPUCLPWKORBM-LOWDOPEQSA-N 2 1 242.432 2.200 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccncc1 ZINC000423297046 388078494 /nfs/dbraw/zinc/07/84/94/388078494.db2.gz INGAPISPLBXHLZ-WCQYABFASA-N 2 1 221.348 2.250 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1C[C@@H](OCC)C1(C)C ZINC000423298186 388079283 /nfs/dbraw/zinc/07/92/83/388079283.db2.gz NMELIBVFCIZXQT-FRRDWIJNSA-N 2 1 242.407 2.297 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@H](COC)C1CCCC1 ZINC000423297779 388079309 /nfs/dbraw/zinc/07/93/09/388079309.db2.gz LVHBHVKUZQOTHD-ZIAGYGMSSA-N 2 1 242.407 2.299 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CCC2CC(F)(F)C2)CC[N@H+]1C ZINC000453426109 388081475 /nfs/dbraw/zinc/08/14/75/388081475.db2.gz ONXPCSTXDPIJTF-CMPLNLGQSA-N 2 1 246.345 2.494 20 0 BEADMP CC[C@@H](C)C[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000336660062 388088205 /nfs/dbraw/zinc/08/82/05/388088205.db2.gz RFBRVGDBBMMTIT-VXGBXAGGSA-N 2 1 200.370 2.351 20 0 BEADMP CC[C@@H](C)C[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000336660062 388088209 /nfs/dbraw/zinc/08/82/09/388088209.db2.gz RFBRVGDBBMMTIT-VXGBXAGGSA-N 2 1 200.370 2.351 20 0 BEADMP CC[C@H](C)C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453593526 388088589 /nfs/dbraw/zinc/08/85/89/388088589.db2.gz GOFSCFBGQVAJAX-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP C[N@@H+](CCCC[NH2+]Cc1cscn1)C1CC1 ZINC000453594360 388089140 /nfs/dbraw/zinc/08/91/40/388089140.db2.gz IFQDAMDKIHBROM-UHFFFAOYSA-N 2 1 239.388 2.107 20 0 BEADMP Cc1cc(NC[C@H]2[N@@H+](C)CCCC2(C)C)cc[nH+]1 ZINC000447808880 388094090 /nfs/dbraw/zinc/09/40/90/388094090.db2.gz WUKPYVCPGLOBFK-CQSZACIVSA-N 2 1 247.386 2.344 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)C1 ZINC000086884271 388110094 /nfs/dbraw/zinc/11/00/94/388110094.db2.gz ILBOPLDSZVRMND-MQYQWHSLSA-N 2 1 224.392 2.482 20 0 BEADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCC12CCCC2)C1CC1 ZINC000423267640 388045194 /nfs/dbraw/zinc/04/51/94/388045194.db2.gz CZLVLXWNHWQZBK-VXGBXAGGSA-N 2 1 208.349 2.036 20 0 BEADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000423270202 388049190 /nfs/dbraw/zinc/04/91/90/388049190.db2.gz GHEBNJUBZUOUFD-KGLIPLIRSA-N 2 1 218.344 2.465 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCC(C)(F)F)[C@@H](C)C1 ZINC000449354692 388180024 /nfs/dbraw/zinc/18/00/24/388180024.db2.gz QMSZPVNBDOJOGQ-QWRGUYRKSA-N 2 1 234.334 2.352 20 0 BEADMP C[C@H](Cc1ccoc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000449068392 388138782 /nfs/dbraw/zinc/13/87/82/388138782.db2.gz BGYWOJPTNFGEKB-GFCCVEGCSA-N 2 1 248.370 2.427 20 0 BEADMP CCC[N@H+](CC)CC[NH2+]C1CCSCC1 ZINC000165121978 388251464 /nfs/dbraw/zinc/25/14/64/388251464.db2.gz CEHWTQNHBXTSFH-UHFFFAOYSA-N 2 1 230.421 2.204 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+]C1CCSCC1 ZINC000165121978 388251467 /nfs/dbraw/zinc/25/14/67/388251467.db2.gz CEHWTQNHBXTSFH-UHFFFAOYSA-N 2 1 230.421 2.204 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000449442085 388206864 /nfs/dbraw/zinc/20/68/64/388206864.db2.gz WFDMGXKNUNUYAG-WXHSDQCUSA-N 2 1 208.349 2.001 20 0 BEADMP CC/C=C\C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000449463967 388211634 /nfs/dbraw/zinc/21/16/34/388211634.db2.gz XNKCRJXRYDUPFK-WAYWQWQTSA-N 2 1 219.332 2.203 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000451578834 388282670 /nfs/dbraw/zinc/28/26/70/388282670.db2.gz XUPVKUBOFRIWIN-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP C[C@@H]([NH2+]Cc1cccc(Cl)c1)[C@H](C)[NH3+] ZINC000261529757 135156327 /nfs/dbraw/zinc/15/63/27/135156327.db2.gz VCKMSSLTNUWBAY-DTWKUNHWSA-N 2 1 212.724 2.165 20 0 BEADMP C[C@H](C[NH2+]Cc1ccccc1N(C)C)C[NH+](C)C ZINC000491549714 388303452 /nfs/dbraw/zinc/30/34/52/388303452.db2.gz WGTNZXHASDHXCE-CYBMUJFWSA-N 2 1 249.402 2.040 20 0 BEADMP CC[NH+](CC)CCC[NH+]1CCC(CF)CC1 ZINC000451395224 388269407 /nfs/dbraw/zinc/26/94/07/388269407.db2.gz PZWXVOZXWGQWMQ-UHFFFAOYSA-N 2 1 230.371 2.400 20 0 BEADMP CC[NH+]1CCC([NH2+]C2CC(C(C)C)C2)CC1 ZINC000233468812 388347625 /nfs/dbraw/zinc/34/76/25/388347625.db2.gz WWMAGNXDIGYMDW-UHFFFAOYSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccc(C)cc1 ZINC000233892553 388350017 /nfs/dbraw/zinc/35/00/17/388350017.db2.gz BCIUVVHQDKLOMR-DGCLKSJQSA-N 2 1 206.333 2.383 20 0 BEADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccncc1 ZINC000163686366 388366979 /nfs/dbraw/zinc/36/69/79/388366979.db2.gz KIEABUFYEMZJCN-AWEZNQCLSA-N 2 1 233.359 2.217 20 0 BEADMP C[C@H](C[NH3+])[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000235448806 388369713 /nfs/dbraw/zinc/36/97/13/388369713.db2.gz KXSGPMYGSVBIGX-AFPNSQJFSA-N 2 1 224.270 2.044 20 0 BEADMP Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)CN)c1 ZINC000235459022 388369957 /nfs/dbraw/zinc/36/99/57/388369957.db2.gz BIDNQRTZHAOUQH-NEPJUHHUSA-N 2 1 206.333 2.301 20 0 BEADMP Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)C[NH3+])c1 ZINC000235459022 388369959 /nfs/dbraw/zinc/36/99/59/388369959.db2.gz BIDNQRTZHAOUQH-NEPJUHHUSA-N 2 1 206.333 2.301 20 0 BEADMP Cc1cnccc1CC[N@H+](C)C[C@@H]1CCCOC1 ZINC000572872619 388383356 /nfs/dbraw/zinc/38/33/56/388383356.db2.gz GNTIUIQIRGTHIG-AWEZNQCLSA-N 2 1 248.370 2.291 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000572887572 388383898 /nfs/dbraw/zinc/38/38/98/388383898.db2.gz USSUOHFJZKCOKO-BPLDGKMQSA-N 2 1 236.403 2.495 20 0 BEADMP CCC(C)(C)OCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000308550696 388442450 /nfs/dbraw/zinc/44/24/50/388442450.db2.gz WONAKGMROFODTE-OLZOCXBDSA-N 2 1 242.407 2.264 20 0 BEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CC[C@H]1CCCO1 ZINC000308634974 388445905 /nfs/dbraw/zinc/44/59/05/388445905.db2.gz MTJGTEFQTNHFNA-CYBMUJFWSA-N 2 1 240.391 2.020 20 0 BEADMP CC(C)CC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397307827 388457643 /nfs/dbraw/zinc/45/76/43/388457643.db2.gz HPVQPSZYMPRVBA-AGIUHOORSA-N 2 1 212.381 2.338 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cn1 ZINC000397304644 388458301 /nfs/dbraw/zinc/45/83/01/388458301.db2.gz LYEUKELYWFBAQR-LNSITVRQSA-N 2 1 247.386 2.195 20 0 BEADMP CC(C)CC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397307830 388458572 /nfs/dbraw/zinc/45/85/72/388458572.db2.gz HPVQPSZYMPRVBA-XQQFMLRXSA-N 2 1 212.381 2.338 20 0 BEADMP CCC[C@H](C)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000336712249 388466644 /nfs/dbraw/zinc/46/66/44/388466644.db2.gz UXNXDUWPIJSGEL-RVMXOQNASA-N 2 1 210.365 2.092 20 0 BEADMP CCS[C@@H]1CC[C@H]([N@@H+](C)CCC[NH2+]C)C1 ZINC000336719419 388468248 /nfs/dbraw/zinc/46/82/48/388468248.db2.gz YEMQVQMZHDTJJW-NWDGAFQWSA-N 2 1 230.421 2.202 20 0 BEADMP CC(C)CSCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000397441108 388470938 /nfs/dbraw/zinc/47/09/38/388470938.db2.gz ILMWXKRPEDMCLS-CHWSQXEVSA-N 2 1 244.448 2.496 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000310203063 388477697 /nfs/dbraw/zinc/47/76/97/388477697.db2.gz ARNMVPKEMSYOGP-RDBSUJKOSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000310203063 388477699 /nfs/dbraw/zinc/47/76/99/388477699.db2.gz ARNMVPKEMSYOGP-RDBSUJKOSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)C[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000307824515 388427443 /nfs/dbraw/zinc/42/74/43/388427443.db2.gz XIOYNJJQUXQFRW-KGLIPLIRSA-N 2 1 224.392 2.354 20 0 BEADMP C[N@H+]1CC[C@]2(CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC000528510620 388538815 /nfs/dbraw/zinc/53/88/15/388538815.db2.gz BMJILERZVIYPRK-HNNXBMFYSA-N 2 1 236.403 2.450 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@H+]1[C@H](C)C[C@@H]1C ZINC000548096683 388510786 /nfs/dbraw/zinc/51/07/86/388510786.db2.gz IHHJTQFQZZVDTA-TXEJJXNPSA-N 2 1 221.348 2.454 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548096683 388510788 /nfs/dbraw/zinc/51/07/88/388510788.db2.gz IHHJTQFQZZVDTA-TXEJJXNPSA-N 2 1 221.348 2.454 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+]1CCC[NH+]1CCCCC1 ZINC000548096654 388511130 /nfs/dbraw/zinc/51/11/30/388511130.db2.gz FFIZROGSFNYSAR-BETUJISGSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@H]1CCCC[N@H+]1CCCc1cncn1C ZINC000564342695 388518340 /nfs/dbraw/zinc/51/83/40/388518340.db2.gz GZYJOZVYHQOZGV-LBPRGKRZSA-N 2 1 221.348 2.227 20 0 BEADMP CCc1cc(N2CC[N@H+](CC)[C@H](C)C2)cc[nH+]1 ZINC000649311189 388597334 /nfs/dbraw/zinc/59/73/34/388597334.db2.gz WPCQNOYZAXVWGE-GFCCVEGCSA-N 2 1 233.359 2.174 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000245694291 388598675 /nfs/dbraw/zinc/59/86/75/388598675.db2.gz KCGJRBXBXVGYOR-QNSTZXKLSA-N 2 1 240.391 2.015 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000245694291 388598677 /nfs/dbraw/zinc/59/86/77/388598677.db2.gz KCGJRBXBXVGYOR-QNSTZXKLSA-N 2 1 240.391 2.015 20 0 BEADMP C[C@](C[NH3+])([NH2+]CC1CCCCC1)C1CC1 ZINC000261582722 135223389 /nfs/dbraw/zinc/22/33/89/135223389.db2.gz OOYPYIJIHWAUBQ-CYBMUJFWSA-N 2 1 210.365 2.284 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C)CCC2)[C@@H](C)C1 ZINC000222211705 388615847 /nfs/dbraw/zinc/61/58/47/388615847.db2.gz IFGIANBTQISFAK-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCOC)[C@@H](C)C1 ZINC000245439388 388580012 /nfs/dbraw/zinc/58/00/12/388580012.db2.gz SUWBYOYSPVASLV-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCOC)[C@@H](C)C1 ZINC000245439388 388580013 /nfs/dbraw/zinc/58/00/13/388580013.db2.gz SUWBYOYSPVASLV-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCOC)[C@@H](C)C1 ZINC000245439388 388580015 /nfs/dbraw/zinc/58/00/15/388580015.db2.gz SUWBYOYSPVASLV-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)CCOC ZINC000247923526 388670269 /nfs/dbraw/zinc/67/02/69/388670269.db2.gz BKOSNMUFXFKXFV-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)CCOC ZINC000247923526 388670272 /nfs/dbraw/zinc/67/02/72/388670272.db2.gz BKOSNMUFXFKXFV-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP CC1=CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000552117518 388670557 /nfs/dbraw/zinc/67/05/57/388670557.db2.gz PPZPIWQILHKFIS-UONOGXRCSA-N 2 1 222.376 2.417 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CC2)[C@@H](C)C1 ZINC000248293019 388675013 /nfs/dbraw/zinc/67/50/13/388675013.db2.gz XGTLWMFBTMPVOI-AAEUAGOBSA-N 2 1 210.365 2.059 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CC2)[C@@H](C)C1 ZINC000248293019 388675016 /nfs/dbraw/zinc/67/50/16/388675016.db2.gz XGTLWMFBTMPVOI-AAEUAGOBSA-N 2 1 210.365 2.059 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CC2)[C@@H](C)C1 ZINC000248293019 388675017 /nfs/dbraw/zinc/67/50/17/388675017.db2.gz XGTLWMFBTMPVOI-AAEUAGOBSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)[C@](C)(C[NH3+])[NH2+]CC1CC(C)(C)C1 ZINC000530212951 388627808 /nfs/dbraw/zinc/62/78/08/388627808.db2.gz SEQDKQRPCVNMCG-ZDUSSCGKSA-N 2 1 212.381 2.386 20 0 BEADMP COC[C@@H](C)C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000248572699 388684376 /nfs/dbraw/zinc/68/43/76/388684376.db2.gz NGGHXHZUPPIFAV-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@@H]([NH2+]CC1CC=CC1)c1c[nH+]ccc1N ZINC000530218768 388631648 /nfs/dbraw/zinc/63/16/48/388631648.db2.gz XCPRWNNXBVSNTN-SNVBAGLBSA-N 2 1 217.316 2.111 20 0 BEADMP C[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C[C@H]1C[NH3+] ZINC000530222914 388634073 /nfs/dbraw/zinc/63/40/73/388634073.db2.gz IRNCGANPUMHQSV-WCQYABFASA-N 2 1 224.392 2.339 20 0 BEADMP C[C@H]1CC(F)(F)CC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000530233639 388636685 /nfs/dbraw/zinc/63/66/85/388636685.db2.gz ZJKAFZUQXFLUQI-WDEREUQCSA-N 2 1 232.318 2.106 20 0 BEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CC1CC(C)(C)C1 ZINC000530227970 388636805 /nfs/dbraw/zinc/63/68/05/388636805.db2.gz WQDDCPUNPSMTPN-NSHDSACASA-N 2 1 212.381 2.386 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000222825776 388645535 /nfs/dbraw/zinc/64/55/35/388645535.db2.gz LCPZSQVASYECBE-MCIONIFRSA-N 2 1 222.376 2.273 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCS2)[C@H](C)C1 ZINC000246838224 388653042 /nfs/dbraw/zinc/65/30/42/388653042.db2.gz BLRTYROITLZHRK-UPJWGTAASA-N 2 1 242.432 2.202 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C2(C)CC2)C1 ZINC000246886086 388654380 /nfs/dbraw/zinc/65/43/80/388654380.db2.gz FDIJKVHFAQEVSH-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251379479 388747160 /nfs/dbraw/zinc/74/71/60/388747160.db2.gz YZWZUEDYMBGUHJ-XQQFMLRXSA-N 2 1 210.365 2.247 20 0 BEADMP Cc1ccsc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228152667 388771031 /nfs/dbraw/zinc/77/10/31/388771031.db2.gz PMGFEGCVGCHVNX-WDEREUQCSA-N 2 1 224.373 2.226 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](CC)C1CC1 ZINC000252711218 388771144 /nfs/dbraw/zinc/77/11/44/388771144.db2.gz IWXHHJDFPZQCJC-DGCLKSJQSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](CC)C1CC1 ZINC000252711218 388771148 /nfs/dbraw/zinc/77/11/48/388771148.db2.gz IWXHHJDFPZQCJC-DGCLKSJQSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@H]1C ZINC000252748100 388779442 /nfs/dbraw/zinc/77/94/42/388779442.db2.gz SMHMVBDCCPMYHE-AGIUHOORSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@H]1C ZINC000252748100 388779444 /nfs/dbraw/zinc/77/94/44/388779444.db2.gz SMHMVBDCCPMYHE-AGIUHOORSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccncc1 ZINC000129579435 388855658 /nfs/dbraw/zinc/85/56/58/388855658.db2.gz XCCKNVBNJITRAZ-SGMGOOAPSA-N 2 1 233.359 2.215 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccncc1 ZINC000129579435 388855660 /nfs/dbraw/zinc/85/56/60/388855660.db2.gz XCCKNVBNJITRAZ-SGMGOOAPSA-N 2 1 233.359 2.215 20 0 BEADMP C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1c[nH+]ccc1N ZINC000564825629 388891238 /nfs/dbraw/zinc/89/12/38/388891238.db2.gz YISORXUMRFBUHF-WRWGMCAJSA-N 2 1 249.358 2.101 20 0 BEADMP C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1c[nH+]ccc1N ZINC000564825627 388891672 /nfs/dbraw/zinc/89/16/72/388891672.db2.gz YISORXUMRFBUHF-MXWKQRLJSA-N 2 1 249.358 2.101 20 0 BEADMP C[NH2+]CCC[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000564989823 388906725 /nfs/dbraw/zinc/90/67/25/388906725.db2.gz IPAUNGXKZNNPLS-MELADBBJSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCC[NH+]1CCC1 ZINC000565215474 388926938 /nfs/dbraw/zinc/92/69/38/388926938.db2.gz KDDYBNANGKEKQL-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)Oc1ccccc1C[N@H+](C)CCC[NH3+] ZINC000564969340 388904430 /nfs/dbraw/zinc/90/44/30/388904430.db2.gz IDZOGUIBVDYSTE-UHFFFAOYSA-N 2 1 236.359 2.254 20 0 BEADMP CC(C)Oc1ccccc1C[N@@H+](C)CCC[NH3+] ZINC000564969340 388904432 /nfs/dbraw/zinc/90/44/32/388904432.db2.gz IDZOGUIBVDYSTE-UHFFFAOYSA-N 2 1 236.359 2.254 20 0 BEADMP C[C@H](Cc1ccsc1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000565762736 388967887 /nfs/dbraw/zinc/96/78/87/388967887.db2.gz FLKNQOKCUKQFPL-SKDRFNHKSA-N 2 1 224.373 2.006 20 0 BEADMP Cc1ccc(F)cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000272236332 389030086 /nfs/dbraw/zinc/03/00/86/389030086.db2.gz GIPMUALIUFTWBN-UHFFFAOYSA-N 2 1 248.345 2.486 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CC[NH3+])c2sccc21 ZINC000335570041 136109552 /nfs/dbraw/zinc/10/95/52/136109552.db2.gz YCUMRTRLZMSQEX-PSASIEDQSA-N 2 1 210.346 2.235 20 0 BEADMP C(=C/c1ccccc1)\C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261568761 533353676 /nfs/dbraw/zinc/35/36/76/533353676.db2.gz JJNPIWZTIPLCKW-KEMBLGFASA-N 2 1 242.366 2.241 20 0 BEADMP C(=C/c1ccccc1)\C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261568761 533353679 /nfs/dbraw/zinc/35/36/79/533353679.db2.gz JJNPIWZTIPLCKW-KEMBLGFASA-N 2 1 242.366 2.241 20 0 BEADMP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000261542161 533365316 /nfs/dbraw/zinc/36/53/16/533365316.db2.gz BWNRPYWBTSMEOR-HUUCEWRRSA-N 2 1 236.403 2.498 20 0 BEADMP C[C@@H]([NH2+]CCc1ccsc1)[C@@H]1CCC[NH2+]1 ZINC000400495591 533405137 /nfs/dbraw/zinc/40/51/37/533405137.db2.gz FSGSIHGVLZJVQP-PWSUYJOCSA-N 2 1 224.373 2.021 20 0 BEADMP Cc1cc[nH+]c(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000277116826 132207260 /nfs/dbraw/zinc/20/72/60/132207260.db2.gz YPOYNYVRPWWFJK-KBPBESRZSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cc[nH+]c(N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000277116826 132207262 /nfs/dbraw/zinc/20/72/62/132207262.db2.gz YPOYNYVRPWWFJK-KBPBESRZSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cc[nH+]c(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000277116839 132207360 /nfs/dbraw/zinc/20/73/60/132207360.db2.gz YPOYNYVRPWWFJK-UONOGXRCSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cc[nH+]c(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000277116839 132207361 /nfs/dbraw/zinc/20/73/61/132207361.db2.gz YPOYNYVRPWWFJK-UONOGXRCSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cc(N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc[nH+]1 ZINC000277063142 132207373 /nfs/dbraw/zinc/20/73/73/132207373.db2.gz RMBXCFNPINKRPV-UKRRQHHQSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cccc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)[nH+]1 ZINC000277112466 132207377 /nfs/dbraw/zinc/20/73/77/132207377.db2.gz YDBMYVLSRMLQSJ-ZIAGYGMSSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cccc(N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)[nH+]1 ZINC000277112466 132207378 /nfs/dbraw/zinc/20/73/78/132207378.db2.gz YDBMYVLSRMLQSJ-ZIAGYGMSSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cc(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc[nH+]1 ZINC000277063137 132207432 /nfs/dbraw/zinc/20/74/32/132207432.db2.gz RMBXCFNPINKRPV-HIFRSBDPSA-N 2 1 245.370 2.311 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000335525084 133875092 /nfs/dbraw/zinc/87/50/92/133875092.db2.gz CELOFMGZORDOCR-HIFRSBDPSA-N 2 1 241.338 2.204 20 0 BEADMP C[C@@H](F)CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000352012708 134036152 /nfs/dbraw/zinc/03/61/52/134036152.db2.gz GIKYMWJKDFUYKH-OCCSQVGLSA-N 2 1 242.382 2.398 20 0 BEADMP C[C@@H](F)CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000352012708 134036153 /nfs/dbraw/zinc/03/61/53/134036153.db2.gz GIKYMWJKDFUYKH-OCCSQVGLSA-N 2 1 242.382 2.398 20 0 BEADMP Cc1cccc(N2CCC(C[NH+](C)C)CC2)[nH+]1 ZINC000336068316 134071256 /nfs/dbraw/zinc/07/12/56/134071256.db2.gz IGNMJVIBOCGBHE-UHFFFAOYSA-N 2 1 233.359 2.168 20 0 BEADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@H]1C1CCC1 ZINC000336197082 134127086 /nfs/dbraw/zinc/12/70/86/134127086.db2.gz KGEHHXQTCKIYLX-OCCSQVGLSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347032433 134196277 /nfs/dbraw/zinc/19/62/77/134196277.db2.gz ABIDRIJWUOFBGV-HZSPNIEDSA-N 2 1 224.392 2.483 20 0 BEADMP Fc1ccccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000168703386 134246522 /nfs/dbraw/zinc/24/65/22/134246522.db2.gz MMVIFQZVUPXYND-LBPRGKRZSA-N 2 1 222.307 2.057 20 0 BEADMP CC(C)CCC[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000220397850 134306296 /nfs/dbraw/zinc/30/62/96/134306296.db2.gz LSVOEQRJLCTMPD-QWHCGFSZSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)CCC[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000220397850 134306297 /nfs/dbraw/zinc/30/62/97/134306297.db2.gz LSVOEQRJLCTMPD-QWHCGFSZSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000178627734 134312058 /nfs/dbraw/zinc/31/20/58/134312058.db2.gz TYFVEOHVWGMFQO-OLZOCXBDSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000178627734 134312059 /nfs/dbraw/zinc/31/20/59/134312059.db2.gz TYFVEOHVWGMFQO-OLZOCXBDSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000178627734 134312060 /nfs/dbraw/zinc/31/20/60/134312060.db2.gz TYFVEOHVWGMFQO-OLZOCXBDSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCS1 ZINC000178976786 134314005 /nfs/dbraw/zinc/31/40/05/134314005.db2.gz SBEWUECYWXQECV-CYBMUJFWSA-N 2 1 242.432 2.059 20 0 BEADMP C[C@H]1CCC[C@H](C)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178974083 134314099 /nfs/dbraw/zinc/31/40/99/134314099.db2.gz MGFOVQNMAVNECR-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@]1(C)CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178973847 134314272 /nfs/dbraw/zinc/31/42/72/134314272.db2.gz MWFYTGBUHMNYEE-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CCCC1 ZINC000179239192 134318520 /nfs/dbraw/zinc/31/85/20/134318520.db2.gz IXKUXYOQJOSOBO-ZDUSSCGKSA-N 2 1 210.365 2.345 20 0 BEADMP C(C1CCCCC1)[N@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000221366492 134321296 /nfs/dbraw/zinc/32/12/96/134321296.db2.gz FSANDADYTGBVNK-ZIAGYGMSSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000221784896 134326063 /nfs/dbraw/zinc/32/60/63/134326063.db2.gz ORGQYIWVYGXRSF-DYEKYZERSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)CSCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000222440146 134332073 /nfs/dbraw/zinc/33/20/73/134332073.db2.gz XIZBWKOUULTOOD-QWHCGFSZSA-N 2 1 244.448 2.305 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000224567178 134348296 /nfs/dbraw/zinc/34/82/96/134348296.db2.gz ZQMWPIMOALWDCD-FRRDWIJNSA-N 2 1 242.432 2.202 20 0 BEADMP CS[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000226323785 134360544 /nfs/dbraw/zinc/36/05/44/134360544.db2.gz XQFAGWLHJYCZSJ-QWHCGFSZSA-N 2 1 242.432 2.344 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C[C@@H]1CCSC1 ZINC000226378007 134364858 /nfs/dbraw/zinc/36/48/58/134364858.db2.gz WLPXTJQLXJJSBC-NEPJUHHUSA-N 2 1 230.421 2.059 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C[C@@H]1CCSC1 ZINC000226378007 134364859 /nfs/dbraw/zinc/36/48/59/134364859.db2.gz WLPXTJQLXJJSBC-NEPJUHHUSA-N 2 1 230.421 2.059 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC=CCC2)CC[N@@H+]1C ZINC000226831989 134369969 /nfs/dbraw/zinc/36/99/69/134369969.db2.gz DVCJSKRGMMLAKQ-UPJWGTAASA-N 2 1 208.349 2.167 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC=CCC2)CC[N@H+]1C ZINC000226831989 134369970 /nfs/dbraw/zinc/36/99/70/134369970.db2.gz DVCJSKRGMMLAKQ-UPJWGTAASA-N 2 1 208.349 2.167 20 0 BEADMP Cc1ccccc1[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000227743732 134392049 /nfs/dbraw/zinc/39/20/49/134392049.db2.gz NZNULDLGGCYEIW-GFCCVEGCSA-N 2 1 206.333 2.337 20 0 BEADMP CCC(CC)C[NH2+][C@@H](C[NH3+])CC(C)C ZINC000130278297 134617939 /nfs/dbraw/zinc/61/79/39/134617939.db2.gz PGARZVIDUWDNRP-GFCCVEGCSA-N 2 1 200.370 2.386 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H](C)C2)CC1 ZINC000070643532 135002088 /nfs/dbraw/zinc/00/20/88/135002088.db2.gz UJCZGJSPRDAUSU-AAEUAGOBSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)CCOCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250589276 135056156 /nfs/dbraw/zinc/05/61/56/135056156.db2.gz JTGRIYCOJRXFSV-KBPBESRZSA-N 2 1 242.407 2.108 20 0 BEADMP CCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251327674 135068052 /nfs/dbraw/zinc/06/80/52/135068052.db2.gz MUAWYPUPNOEPCQ-AVGNSLFASA-N 2 1 210.365 2.391 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000251687351 135074779 /nfs/dbraw/zinc/07/47/79/135074779.db2.gz WFDMGXKNUNUYAG-DRZSPHRISA-N 2 1 208.349 2.001 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CCCCC2)CC[C@H]1[NH3+] ZINC000251706340 135074966 /nfs/dbraw/zinc/07/49/66/135074966.db2.gz JDTXEYQOJHLZCZ-DGCLKSJQSA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@@H](C)C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000251774397 135076274 /nfs/dbraw/zinc/07/62/74/135076274.db2.gz IPCIKTZFFFEEJE-CHWSQXEVSA-N 2 1 212.381 2.354 20 0 BEADMP CC[C@H](C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252028704 135082340 /nfs/dbraw/zinc/08/23/40/135082340.db2.gz YVGHZDKCZGZPLW-AVGNSLFASA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000252181255 135086058 /nfs/dbraw/zinc/08/60/58/135086058.db2.gz QBNWHYTVCMRRRZ-UPJWGTAASA-N 2 1 210.365 2.154 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CS1 ZINC000252203614 135086325 /nfs/dbraw/zinc/08/63/25/135086325.db2.gz WTPMYMMZSMBWGU-NDBYEHHHSA-N 2 1 240.416 2.097 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000252207441 135086952 /nfs/dbraw/zinc/08/69/52/135086952.db2.gz VKJTUBXRAAFNRQ-BZPMIXESSA-N 2 1 222.376 2.249 20 0 BEADMP Clc1c[nH+]ccc1NC[C@@H]1CCC[NH2+]C1 ZINC000086839752 135097887 /nfs/dbraw/zinc/09/78/87/135097887.db2.gz JDPPYOCDVBTCJK-SECBINFHSA-N 2 1 225.723 2.147 20 0 BEADMP [NH3+]C[C@H]1CCC[C@@H]1Nc1cc[nH+]cc1Cl ZINC000086840116 135098398 /nfs/dbraw/zinc/09/83/98/135098398.db2.gz UDZUFQMNSZBVSU-SCZZXKLOSA-N 2 1 225.723 2.274 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000252709564 135099421 /nfs/dbraw/zinc/09/94/21/135099421.db2.gz DFPCMVBKDZEEHR-FVCCEPFGSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000252709564 135099424 /nfs/dbraw/zinc/09/94/24/135099424.db2.gz DFPCMVBKDZEEHR-FVCCEPFGSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000252713172 135100904 /nfs/dbraw/zinc/10/09/04/135100904.db2.gz OMZKDTKQLZIWJD-RFGFWPKPSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000252713172 135100906 /nfs/dbraw/zinc/10/09/06/135100906.db2.gz OMZKDTKQLZIWJD-RFGFWPKPSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H](c1ccccn1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257669489 135101048 /nfs/dbraw/zinc/10/10/48/135101048.db2.gz DLRCSKRMKWYPMG-ZDUSSCGKSA-N 2 1 245.370 2.218 20 0 BEADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cncs2)C1 ZINC000252717051 135102202 /nfs/dbraw/zinc/10/22/02/135102202.db2.gz ZQLWLVXAVOEWLS-MNOVXSKESA-N 2 1 239.388 2.136 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cncs2)C1 ZINC000252717051 135102204 /nfs/dbraw/zinc/10/22/04/135102204.db2.gz ZQLWLVXAVOEWLS-MNOVXSKESA-N 2 1 239.388 2.136 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000252733537 135104486 /nfs/dbraw/zinc/10/44/86/135104486.db2.gz ZWZJXOPAANFGGM-WCQYABFASA-N 2 1 222.376 2.106 20 0 BEADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(F)cc1 ZINC000261538330 135109170 /nfs/dbraw/zinc/10/91/70/135109170.db2.gz XTFOECWBZIDVOA-VIFPVBQESA-N 2 1 210.296 2.214 20 0 BEADMP C[C@@H]1CCC[C@@H](C[N@@H+](C)C2CC[NH2+]CC2)C1 ZINC000261592011 135110324 /nfs/dbraw/zinc/11/03/24/135110324.db2.gz VQTSRFLOSWNUPG-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1CC[N@@H+](CCC2CCCC2)C[C@@H]1C[NH3+] ZINC000261599725 135111392 /nfs/dbraw/zinc/11/13/92/135111392.db2.gz ZZCHRKGNHGFAAW-JSGCOSHPSA-N 2 1 224.392 2.483 20 0 BEADMP CC(C)CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252861961 135113644 /nfs/dbraw/zinc/11/36/44/135113644.db2.gz NUCLYPABRYEUJQ-AVGNSLFASA-N 2 1 210.365 2.092 20 0 BEADMP [NH3+]CC[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000263069957 135124524 /nfs/dbraw/zinc/12/45/24/135124524.db2.gz WIWQEPCYAPYIBN-CYBMUJFWSA-N 2 1 222.307 2.215 20 0 BEADMP C[C@@H]1CC[N@@H+](CC2CCCC2)C[C@H]1C[NH3+] ZINC000253207830 135124790 /nfs/dbraw/zinc/12/47/90/135124790.db2.gz HTQOJEGDNHYITG-DGCLKSJQSA-N 2 1 210.365 2.093 20 0 BEADMP C[C@H]1CC[N@@H+](CCC(C)(C)C)C[C@H]1C[NH3+] ZINC000253246653 135125583 /nfs/dbraw/zinc/12/55/83/135125583.db2.gz SBIHQKKKMLLHFJ-NWDGAFQWSA-N 2 1 212.381 2.339 20 0 BEADMP C[C@H](c1cccnc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257651014 135138561 /nfs/dbraw/zinc/13/85/61/135138561.db2.gz ADGBKMSAKZQNBP-CYBMUJFWSA-N 2 1 245.370 2.218 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1F ZINC000257711078 135140527 /nfs/dbraw/zinc/14/05/27/135140527.db2.gz SVQYDOLNDDVRGO-HNNXBMFYSA-N 2 1 248.345 2.320 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1F ZINC000257711078 135140529 /nfs/dbraw/zinc/14/05/29/135140529.db2.gz SVQYDOLNDDVRGO-HNNXBMFYSA-N 2 1 248.345 2.320 20 0 BEADMP Cc1ccc(CC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000257721868 135140839 /nfs/dbraw/zinc/14/08/39/135140839.db2.gz VSKIHEXWDNBXNH-INIZCTEOSA-N 2 1 244.382 2.223 20 0 BEADMP C[NH2+]CCC[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000087472248 135143075 /nfs/dbraw/zinc/14/30/75/135143075.db2.gz QRTJQYLJZCVUDH-NSHDSACASA-N 2 1 224.323 2.428 20 0 BEADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000087472248 135143077 /nfs/dbraw/zinc/14/30/77/135143077.db2.gz QRTJQYLJZCVUDH-NSHDSACASA-N 2 1 224.323 2.428 20 0 BEADMP CC1CCC(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000261545387 135144746 /nfs/dbraw/zinc/14/47/46/135144746.db2.gz GANOEVFIGHAVSZ-WUCCLRPBSA-N 2 1 236.403 2.497 20 0 BEADMP CC1CCC(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000261545387 135144748 /nfs/dbraw/zinc/14/47/48/135144748.db2.gz GANOEVFIGHAVSZ-WUCCLRPBSA-N 2 1 236.403 2.497 20 0 BEADMP CCc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000261529289 135154799 /nfs/dbraw/zinc/15/47/99/135154799.db2.gz AOBAGDSKDXVXSO-QWRGUYRKSA-N 2 1 206.333 2.074 20 0 BEADMP CC(C)([NH3+])C[NH2+][C@@H]1CCCc2sccc21 ZINC000261529493 135156015 /nfs/dbraw/zinc/15/60/15/135156015.db2.gz AVNWPFXGGGNOQR-SNVBAGLBSA-N 2 1 224.373 2.452 20 0 BEADMP C[C@@H](C1CC1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261530769 135157989 /nfs/dbraw/zinc/15/79/89/135157989.db2.gz CZKPCMOMCASSEL-WOPDTQHZSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCCc2sccc21 ZINC000261531313 135159660 /nfs/dbraw/zinc/15/96/60/135159660.db2.gz GBNNAFHQECLJLL-QXEWZRGKSA-N 2 1 224.373 2.451 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+](CC2(C)CCC2)C1 ZINC000261531956 135161555 /nfs/dbraw/zinc/16/15/55/135161555.db2.gz IMSJZIIUFRFYEE-GFCCVEGCSA-N 2 1 210.365 2.108 20 0 BEADMP CC(C)[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261533670 135165576 /nfs/dbraw/zinc/16/55/76/135165576.db2.gz JSPHLAMKDGFSQD-MCIONIFRSA-N 2 1 224.392 2.495 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c1C ZINC000261534302 135166815 /nfs/dbraw/zinc/16/68/15/135166815.db2.gz PQMXPQAQYXAQCW-SMDDNHRTSA-N 2 1 218.344 2.082 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCS[C@H](C)[C@@H]2C)CC[NH2+]1 ZINC000261534774 135167611 /nfs/dbraw/zinc/16/76/11/135167611.db2.gz UCIVMCQTDWUCME-YVECIDJPSA-N 2 1 242.432 2.200 20 0 BEADMP C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCC(C)(C)C1 ZINC000087772954 135168242 /nfs/dbraw/zinc/16/82/42/135168242.db2.gz LMAHMNQYFDVREP-CYBMUJFWSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000261535240 135169583 /nfs/dbraw/zinc/16/95/83/135169583.db2.gz XECAGSGUGWSYDN-HZSPNIEDSA-N 2 1 224.392 2.352 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000261535802 135170488 /nfs/dbraw/zinc/17/04/88/135170488.db2.gz PGAKKJXSOOJLNE-ZDUSSCGKSA-N 2 1 210.365 2.237 20 0 BEADMP CC(C)(C)CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261537103 135173375 /nfs/dbraw/zinc/17/33/75/135173375.db2.gz UWSOULUHYKMPJQ-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])CC12CCC2 ZINC000261541123 135180884 /nfs/dbraw/zinc/18/08/84/135180884.db2.gz FOMPMLJEZINOSA-LLVKDONJSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]1CC[N@@H+](CC(C)(C)[NH3+])CC12CCC2 ZINC000261541124 135180895 /nfs/dbraw/zinc/18/08/95/135180895.db2.gz FOMPMLJEZINOSA-NSHDSACASA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]([N@@H+](C)C[C@]1(C)CC[NH2+]C1)C1(C)CC1 ZINC000261543743 135184445 /nfs/dbraw/zinc/18/44/45/135184445.db2.gz ICLORWCZVGKEHU-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H](c1cccnc1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261544400 135185369 /nfs/dbraw/zinc/18/53/69/135185369.db2.gz XUEFFTWWMYPORX-STQMWFEESA-N 2 1 233.359 2.074 20 0 BEADMP C[C@@H](c1cccnc1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261544400 135185371 /nfs/dbraw/zinc/18/53/71/135185371.db2.gz XUEFFTWWMYPORX-STQMWFEESA-N 2 1 233.359 2.074 20 0 BEADMP CC1CCC(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000261550950 135189910 /nfs/dbraw/zinc/18/99/10/135189910.db2.gz LQDLKCGVTBUCIF-PCGVCOGMSA-N 2 1 236.403 2.482 20 0 BEADMP C[C@H]1CCCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261551333 135189978 /nfs/dbraw/zinc/18/99/78/135189978.db2.gz QJGAGMVXVZPUCP-QWHCGFSZSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000261552269 135191579 /nfs/dbraw/zinc/19/15/79/135191579.db2.gz MUTRJUVAGIAKIB-QPSCCSFWSA-N 2 1 236.403 2.354 20 0 BEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000261553576 135192578 /nfs/dbraw/zinc/19/25/78/135192578.db2.gz OAUXYOBPOOQDSX-KGYLQXTDSA-N 2 1 234.343 2.245 20 0 BEADMP Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261554342 135193747 /nfs/dbraw/zinc/19/37/47/135193747.db2.gz ATVSFKSVLHOLPF-TZMCWYRMSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1ccc(F)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261554342 135193749 /nfs/dbraw/zinc/19/37/49/135193749.db2.gz ATVSFKSVLHOLPF-TZMCWYRMSA-N 2 1 248.345 2.175 20 0 BEADMP CCC(C)(C)CC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000261555408 135195441 /nfs/dbraw/zinc/19/54/41/135195441.db2.gz UXAMVHGLYGSGNO-GFCCVEGCSA-N 2 1 212.381 2.483 20 0 BEADMP CCS[C@@H]1CC[C@H]([N@@H+](C)CC(C)(C)[NH3+])C1 ZINC000261560083 135201326 /nfs/dbraw/zinc/20/13/26/135201326.db2.gz ZNJAYPDIJYZKSN-WDEREUQCSA-N 2 1 230.421 2.330 20 0 BEADMP Cc1ccccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261561707 135202711 /nfs/dbraw/zinc/20/27/11/135202711.db2.gz VRTWUIFDHCVLAI-DZGCQCFKSA-N 2 1 230.355 2.036 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261562009 135203915 /nfs/dbraw/zinc/20/39/15/135203915.db2.gz VXJZSGZBIAIVKM-GJZGRUSLSA-N 2 1 230.355 2.036 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261564768 135207276 /nfs/dbraw/zinc/20/72/76/135207276.db2.gz HMOSLOKVLKLPNH-HZPDHXFCSA-N 2 1 244.382 2.345 20 0 BEADMP C[NH2+]CCC[N@H+](C)Cc1cc(F)ccc1C ZINC000163849270 135207416 /nfs/dbraw/zinc/20/74/16/135207416.db2.gz HYQMYXZRYSFFNE-UHFFFAOYSA-N 2 1 224.323 2.175 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1cc(F)ccc1C ZINC000163849270 135207417 /nfs/dbraw/zinc/20/74/17/135207417.db2.gz HYQMYXZRYSFFNE-UHFFFAOYSA-N 2 1 224.323 2.175 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC000084329936 135211571 /nfs/dbraw/zinc/21/15/71/135211571.db2.gz HOIPREYUBPDENA-ZDUSSCGKSA-N 2 1 210.365 2.237 20 0 BEADMP [NH3+]CC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000261569714 135212562 /nfs/dbraw/zinc/21/25/62/135212562.db2.gz GLTMEOZJFNNRMI-ZDUSSCGKSA-N 2 1 204.317 2.076 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000261570706 135213416 /nfs/dbraw/zinc/21/34/16/135213416.db2.gz HCOYWZSBPURHKL-JSGCOSHPSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000261570706 135213418 /nfs/dbraw/zinc/21/34/18/135213418.db2.gz HCOYWZSBPURHKL-JSGCOSHPSA-N 2 1 218.344 2.225 20 0 BEADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)CC1CCCCC1 ZINC000084385236 135218147 /nfs/dbraw/zinc/21/81/47/135218147.db2.gz JSDXHTFRLCXBKZ-CYBMUJFWSA-N 2 1 224.392 2.498 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261578013 135218873 /nfs/dbraw/zinc/21/88/73/135218873.db2.gz ORUGOYHYMZZVAS-IMJJTQAJSA-N 2 1 244.382 2.473 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H]2C)c(C)c1 ZINC000261579234 135219773 /nfs/dbraw/zinc/21/97/73/135219773.db2.gz MGCLVKJCRNLOPU-GXTWGEPZSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H]2C)c(C)c1 ZINC000261579234 135219775 /nfs/dbraw/zinc/21/97/75/135219775.db2.gz MGCLVKJCRNLOPU-GXTWGEPZSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261579962 135220878 /nfs/dbraw/zinc/22/08/78/135220878.db2.gz PTNREIRGPOHRAD-HIFRSBDPSA-N 2 1 248.345 2.318 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261579962 135220880 /nfs/dbraw/zinc/22/08/80/135220880.db2.gz PTNREIRGPOHRAD-HIFRSBDPSA-N 2 1 248.345 2.318 20 0 BEADMP CC1(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCC1 ZINC000261580789 135221162 /nfs/dbraw/zinc/22/11/62/135221162.db2.gz NDJFEOZGWJGZGI-RWMBFGLXSA-N 2 1 222.376 2.236 20 0 BEADMP C[C@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000261581615 135222838 /nfs/dbraw/zinc/22/28/38/135222838.db2.gz QUQXQJTYSSOGPQ-ZBFHGGJFSA-N 2 1 244.382 2.476 20 0 BEADMP C[C@H](c1ccccc1F)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261582411 135223017 /nfs/dbraw/zinc/22/30/17/135223017.db2.gz REAGFVITWXEQCO-AGIUHOORSA-N 2 1 248.345 2.428 20 0 BEADMP C[C@H](c1ccccc1F)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261582411 135223018 /nfs/dbraw/zinc/22/30/18/135223018.db2.gz REAGFVITWXEQCO-AGIUHOORSA-N 2 1 248.345 2.428 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261583455 135224149 /nfs/dbraw/zinc/22/41/49/135224149.db2.gz RUAYTSLCBHWOSE-CABCVRRESA-N 2 1 244.382 2.345 20 0 BEADMP CCC(CC)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164370009 135224716 /nfs/dbraw/zinc/22/47/16/135224716.db2.gz CXNWCHNUDGIZSF-MJBXVCDLSA-N 2 1 224.392 2.482 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000261594291 135234447 /nfs/dbraw/zinc/23/44/47/135234447.db2.gz XLNXSOUVPORQIW-GXTWGEPZSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000261594291 135234448 /nfs/dbraw/zinc/23/44/48/135234448.db2.gz XLNXSOUVPORQIW-GXTWGEPZSA-N 2 1 218.344 2.225 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000261545892 135237971 /nfs/dbraw/zinc/23/79/71/135237971.db2.gz MWEIFBSLJCEECS-GFCCVEGCSA-N 2 1 241.338 2.015 20 0 BEADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261548190 135241950 /nfs/dbraw/zinc/24/19/50/135241950.db2.gz NHHZWWZUPAFXHY-YNEHKIRRSA-N 2 1 210.365 2.106 20 0 BEADMP C(C1CC1)[N@@H+](CC1CC[NH2+]CC1)C1CCC1 ZINC000261646188 135243009 /nfs/dbraw/zinc/24/30/09/135243009.db2.gz APOSGDCQHTWXIT-UHFFFAOYSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CC(C)(C)C1 ZINC000261714630 135247338 /nfs/dbraw/zinc/24/73/38/135247338.db2.gz FBDCNGKZOCFCTC-GXTWGEPZSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC(C)(C)C1 ZINC000261714633 135247446 /nfs/dbraw/zinc/24/74/46/135247446.db2.gz FBDCNGKZOCFCTC-JSGCOSHPSA-N 2 1 224.392 2.354 20 0 BEADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccc1C ZINC000261787632 135252476 /nfs/dbraw/zinc/25/24/76/135252476.db2.gz FYYJGFKQUCXKPM-JSGCOSHPSA-N 2 1 248.370 2.173 20 0 BEADMP C[C@@H](C[N@@H+]1CCC[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000261790094 135253703 /nfs/dbraw/zinc/25/37/03/135253703.db2.gz GCBBSZBMKDIWNN-FZMZJTMJSA-N 2 1 236.334 2.352 20 0 BEADMP C[C@@H](C[N@H+]1CCC[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000261790094 135253705 /nfs/dbraw/zinc/25/37/05/135253705.db2.gz GCBBSZBMKDIWNN-FZMZJTMJSA-N 2 1 236.334 2.352 20 0 BEADMP C(C1CC1)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCC1 ZINC000261790083 135253850 /nfs/dbraw/zinc/25/38/50/135253850.db2.gz GBYGOTALQXPDSS-ZDUSSCGKSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(F)cc1 ZINC000261815029 135255503 /nfs/dbraw/zinc/25/55/03/135255503.db2.gz HXOHQEZCLLSPRD-BNOWGMLFSA-N 2 1 248.345 2.080 20 0 BEADMP C[C@]1(C[N@H+]2CCC[C@H]2C2CCC2)CC[NH2+]C1 ZINC000261866175 135257931 /nfs/dbraw/zinc/25/79/31/135257931.db2.gz NVPDWSBMSHJHAD-KBPBESRZSA-N 2 1 222.376 2.251 20 0 BEADMP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C1Cc2ccccc2C1 ZINC000261875131 135259046 /nfs/dbraw/zinc/25/90/46/135259046.db2.gz POTNCMHBXLSTQV-INIZCTEOSA-N 2 1 244.382 2.085 20 0 BEADMP COc1ccc([C@H](C)C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261918704 135262471 /nfs/dbraw/zinc/26/24/71/135262471.db2.gz BJRCVZGZKAFYNS-TYNCELHUSA-N 2 1 248.370 2.078 20 0 BEADMP COc1ccc([C@H](C)C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261918704 135262472 /nfs/dbraw/zinc/26/24/72/135262472.db2.gz BJRCVZGZKAFYNS-TYNCELHUSA-N 2 1 248.370 2.078 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000342416958 135266527 /nfs/dbraw/zinc/26/65/27/135266527.db2.gz JOMYUBOFJAWCMA-IHRRRGAJSA-N 2 1 242.407 2.264 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000342416958 135266528 /nfs/dbraw/zinc/26/65/28/135266528.db2.gz JOMYUBOFJAWCMA-IHRRRGAJSA-N 2 1 242.407 2.264 20 0 BEADMP CC(C)[C@@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261984046 135269518 /nfs/dbraw/zinc/26/95/18/135269518.db2.gz JMJBEQXJISNDLP-ZIAGYGMSSA-N 2 1 224.392 2.354 20 0 BEADMP CC(C)[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261982462 135269689 /nfs/dbraw/zinc/26/96/89/135269689.db2.gz RNYHWSMDDPKJTN-KBPBESRZSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CC(C)(C)C1 ZINC000261985109 135269733 /nfs/dbraw/zinc/26/97/33/135269733.db2.gz RVGZBQXHIWFXSL-OLZOCXBDSA-N 2 1 224.392 2.354 20 0 BEADMP Cc1ccc(F)cc1C[NH2+]CC1([NH3+])CCC1 ZINC000262077384 135278143 /nfs/dbraw/zinc/27/81/43/135278143.db2.gz DNXGHYYZUYCEIS-UHFFFAOYSA-N 2 1 222.307 2.105 20 0 BEADMP CCc1nc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cs1 ZINC000262151953 135281949 /nfs/dbraw/zinc/28/19/49/135281949.db2.gz GCENKXNHUDBYSK-NXEZZACHSA-N 2 1 239.388 2.065 20 0 BEADMP Cc1cc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)on1 ZINC000262298393 135291619 /nfs/dbraw/zinc/29/16/19/135291619.db2.gz WZDQMXZKJHYLAC-ZDUSSCGKSA-N 2 1 249.358 2.120 20 0 BEADMP COc1ccc(C[N@H+](CC[NH3+])[C@H](C)C2CC2)cc1 ZINC000263081623 135331298 /nfs/dbraw/zinc/33/12/98/135331298.db2.gz XPVALXFQDDOZOH-GFCCVEGCSA-N 2 1 248.370 2.254 20 0 BEADMP COc1ccc(C[N@@H+](CC[NH3+])[C@H](C)C2CC2)cc1 ZINC000263081623 135331299 /nfs/dbraw/zinc/33/12/99/135331299.db2.gz XPVALXFQDDOZOH-GFCCVEGCSA-N 2 1 248.370 2.254 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)nc2)[C@@H](C)C1 ZINC000268765829 135363968 /nfs/dbraw/zinc/36/39/68/135363968.db2.gz JEIPPBRCHRQRJN-WFASDCNBSA-N 2 1 247.386 2.210 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)nc2)[C@@H](C)C1 ZINC000268765829 135363970 /nfs/dbraw/zinc/36/39/70/135363970.db2.gz JEIPPBRCHRQRJN-WFASDCNBSA-N 2 1 247.386 2.210 20 0 BEADMP C[C@H](C[N@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1)c1ccccc1 ZINC000299912367 135382329 /nfs/dbraw/zinc/38/23/29/135382329.db2.gz BPEARXPZHJYSQB-KBMXLJTQSA-N 2 1 244.382 2.474 20 0 BEADMP C[C@H](C[N@@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1)c1ccccc1 ZINC000299912367 135382331 /nfs/dbraw/zinc/38/23/31/135382331.db2.gz BPEARXPZHJYSQB-KBMXLJTQSA-N 2 1 244.382 2.474 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1nccs1 ZINC000334404845 135393133 /nfs/dbraw/zinc/39/31/33/135393133.db2.gz HBJLATHWPZMGEK-BDAKNGLRSA-N 2 1 248.355 2.074 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1nccs1 ZINC000334404849 135393187 /nfs/dbraw/zinc/39/31/87/135393187.db2.gz HBJLATHWPZMGEK-DTWKUNHWSA-N 2 1 248.355 2.074 20 0 BEADMP Cc1csc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000084216343 135466768 /nfs/dbraw/zinc/46/67/68/135466768.db2.gz DNFDYVPQPVOJPZ-QWRGUYRKSA-N 2 1 239.388 2.059 20 0 BEADMP CC1(C)CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000087254611 135504453 /nfs/dbraw/zinc/50/44/53/135504453.db2.gz TUYRYXOARZNGLL-GFCCVEGCSA-N 2 1 210.365 2.108 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])s1 ZINC000335007930 135864176 /nfs/dbraw/zinc/86/41/76/135864176.db2.gz BPXFOURJFLNLPS-WDEREUQCSA-N 2 1 210.346 2.026 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CCc3[nH]cnc3C2)s1 ZINC000335326087 136051898 /nfs/dbraw/zinc/05/18/98/136051898.db2.gz VYAWZMAGMSGFAP-JTQLQIEISA-N 2 1 247.367 2.427 20 0 BEADMP Cc1cc(N)cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000335356514 136061654 /nfs/dbraw/zinc/06/16/54/136061654.db2.gz DKUGESOVWICPHD-IUODEOHRSA-N 2 1 247.386 2.007 20 0 BEADMP Cc1cccc2c1cc[nH+]c2N1CC[C@H](C[NH3+])C1 ZINC000335357918 136074770 /nfs/dbraw/zinc/07/47/70/136074770.db2.gz DTCXBYNOXVJTTG-GFCCVEGCSA-N 2 1 241.338 2.328 20 0 BEADMP FC1(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000348336941 136075644 /nfs/dbraw/zinc/07/56/44/136075644.db2.gz SPPNAIRNRHNKEM-QWHCGFSZSA-N 2 1 240.366 2.485 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](F)C2)CC1 ZINC000335398664 136093369 /nfs/dbraw/zinc/09/33/69/136093369.db2.gz KBHCYARCAVLZOM-DGCLKSJQSA-N 2 1 228.355 2.341 20 0 BEADMP Cc1ccc(CCC[N@H+](C)[C@H]2CCC[C@@H]2O)cn1 ZINC000348555559 136096362 /nfs/dbraw/zinc/09/63/62/136096362.db2.gz NTOFFSZYHYZUQL-GJZGRUSLSA-N 2 1 248.370 2.168 20 0 BEADMP Cc1ccncc1CCC[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000348554378 136096647 /nfs/dbraw/zinc/09/66/47/136096647.db2.gz LYFDPINRNJOPAU-CABCVRRESA-N 2 1 248.370 2.168 20 0 BEADMP Cc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000335562362 136106755 /nfs/dbraw/zinc/10/67/55/136106755.db2.gz UBIOLXQXDAQPKP-UHFFFAOYSA-N 2 1 230.355 2.323 20 0 BEADMP CC(C)([NH3+])C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000335598671 136114020 /nfs/dbraw/zinc/11/40/20/136114020.db2.gz LGGCNCWWQSMPNN-CYBMUJFWSA-N 2 1 233.359 2.260 20 0 BEADMP Cc1nc2c(s1)[C@H]([NH2+]CC(C)(C)[NH3+])CCC2 ZINC000335599316 136114414 /nfs/dbraw/zinc/11/44/14/136114414.db2.gz PMXJYZDEKMJBAS-SECBINFHSA-N 2 1 239.388 2.156 20 0 BEADMP Cc1cc(C)cc(C[N@@H+]2CCC[NH2+][C@@H](C)C2)c1 ZINC000085610093 1172758184 /nfs/dbraw/zinc/75/81/84/1172758184.db2.gz SSYOLOIPBYTCMK-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CCC[NH2+][C@@H](C)C2)c1 ZINC000085610093 1172758190 /nfs/dbraw/zinc/75/81/90/1172758190.db2.gz SSYOLOIPBYTCMK-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C(C)C)C1 ZINC000053655363 166970544 /nfs/dbraw/zinc/97/05/44/166970544.db2.gz BBEMWUVCCKVSRN-CYBMUJFWSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@H](CC1CC1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121271 397801064 /nfs/dbraw/zinc/80/10/64/397801064.db2.gz SBWSGUJIOLOLOM-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)=CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000309101982 397851248 /nfs/dbraw/zinc/85/12/48/397851248.db2.gz GGCCJUQHYBKFPF-STQMWFEESA-N 2 1 210.365 2.415 20 0 BEADMP CC(C)CCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000165030488 398002316 /nfs/dbraw/zinc/00/23/16/398002316.db2.gz AVYBVBKYXPLCCL-OLZOCXBDSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000414657551 398006000 /nfs/dbraw/zinc/00/60/00/398006000.db2.gz HQYGHMLFZCKXMH-XRGAULLZSA-N 2 1 244.382 2.459 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+]CC1(COC)CCC1 ZINC000383452282 398020248 /nfs/dbraw/zinc/02/02/48/398020248.db2.gz HMPNBPNKEXSISO-ZDUSSCGKSA-N 2 1 242.407 2.123 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+]CC1(COC)CCC1 ZINC000383452282 398020250 /nfs/dbraw/zinc/02/02/50/398020250.db2.gz HMPNBPNKEXSISO-ZDUSSCGKSA-N 2 1 242.407 2.123 20 0 BEADMP CC[C@@H]1CCC[C@@H]([NH2+][C@H](C[NH3+])C2CC2)C1 ZINC000414792242 398038905 /nfs/dbraw/zinc/03/89/05/398038905.db2.gz BYVJQOWQSFHGHI-RAIGVLPGSA-N 2 1 210.365 2.282 20 0 BEADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000388644632 397987880 /nfs/dbraw/zinc/98/78/80/397987880.db2.gz PUJVUYOPOTZHMT-UPJWGTAASA-N 2 1 210.365 2.297 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](CC)[C@@H]1CCCOC1 ZINC000649755395 398086203 /nfs/dbraw/zinc/08/62/03/398086203.db2.gz MVAKSJBRKKCUFD-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP Cc1cc(C[NH2+][C@H](C)C[NH3+])ccc1C(F)(F)F ZINC000414920901 398098514 /nfs/dbraw/zinc/09/85/14/398098514.db2.gz AMKZPPBXGMLVQL-SECBINFHSA-N 2 1 246.276 2.451 20 0 BEADMP CCSCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000128996824 398099609 /nfs/dbraw/zinc/09/96/09/398099609.db2.gz OKBFBGMNCLSQPV-YHWZYXNKSA-N 2 1 242.432 2.344 20 0 BEADMP C([C@H]1CCC[NH2+]1)[NH+]1CCC2(CCCC2)CC1 ZINC000062954124 1172795041 /nfs/dbraw/zinc/79/50/41/1172795041.db2.gz HRTGNRBKDJOKOW-CYBMUJFWSA-N 2 1 222.376 2.395 20 0 BEADMP [NH3+]CCC[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000334859481 487571811 /nfs/dbraw/zinc/57/18/11/487571811.db2.gz ZBOWYESBRNDSMN-ZDUSSCGKSA-N 2 1 208.349 2.158 20 0 BEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000238553971 487586554 /nfs/dbraw/zinc/58/65/54/487586554.db2.gz IKEHDXSQHSBQMJ-ZDUSSCGKSA-N 2 1 208.349 2.013 20 0 BEADMP c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)C2 ZINC000232461404 487596204 /nfs/dbraw/zinc/59/62/04/487596204.db2.gz HUIRYQQIFKVZKF-JKSUJKDBSA-N 2 1 244.382 2.276 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668820997 487596484 /nfs/dbraw/zinc/59/64/84/487596484.db2.gz ZZCGQSMIIVMAOT-VHDGCEQUSA-N 2 1 236.403 2.354 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cccs3)[C@@H]2C1 ZINC001651698261 1172975988 /nfs/dbraw/zinc/97/59/88/1172975988.db2.gz UDYXAXLYVBCINI-UHTWSYAYSA-N 2 1 236.384 2.178 20 0 BEADMP Cc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001651697440 1172976416 /nfs/dbraw/zinc/97/64/16/1172976416.db2.gz AACROSYEHBDTJL-OWCLPIDISA-N 2 1 244.382 2.425 20 0 BEADMP COc1ccc2c(c1)C[N@H+](CC1CC[NH2+]CC1)C2 ZINC000058012248 487601140 /nfs/dbraw/zinc/60/11/40/487601140.db2.gz PVQUROPEVSCTSM-UHFFFAOYSA-N 2 1 246.354 2.010 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662241645 409528991 /nfs/dbraw/zinc/52/89/91/409528991.db2.gz VARFUDWGKIFWPP-UONOGXRCSA-N 2 1 230.355 2.140 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662241645 409529002 /nfs/dbraw/zinc/52/90/02/409529002.db2.gz VARFUDWGKIFWPP-UONOGXRCSA-N 2 1 230.355 2.140 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCCC1CCC1 ZINC000662246901 409545896 /nfs/dbraw/zinc/54/58/96/409545896.db2.gz VGPHDLDLDFFFFB-CYBMUJFWSA-N 2 1 210.365 2.251 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+]1CCCC1CCC1 ZINC000662246901 409545906 /nfs/dbraw/zinc/54/59/06/409545906.db2.gz VGPHDLDLDFFFFB-CYBMUJFWSA-N 2 1 210.365 2.251 20 0 BEADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662318397 409636358 /nfs/dbraw/zinc/63/63/58/409636358.db2.gz ZQUHWOWGAVSRIQ-DZGCQCFKSA-N 2 1 236.403 2.498 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000662317787 409637335 /nfs/dbraw/zinc/63/73/35/409637335.db2.gz SIYYLTAUIFKQCK-ZDUSSCGKSA-N 2 1 210.365 2.108 20 0 BEADMP CC(C)=CCC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662276400 409588979 /nfs/dbraw/zinc/58/89/79/409588979.db2.gz MDILOWNOJWREKG-OLZOCXBDSA-N 2 1 208.349 2.027 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662276400 409588984 /nfs/dbraw/zinc/58/89/84/409588984.db2.gz MDILOWNOJWREKG-OLZOCXBDSA-N 2 1 208.349 2.027 20 0 BEADMP C1=CCC(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000662277646 409593077 /nfs/dbraw/zinc/59/30/77/409593077.db2.gz RGKZAFRQGYXUSH-AWEZNQCLSA-N 2 1 220.360 2.028 20 0 BEADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660762232 409726094 /nfs/dbraw/zinc/72/60/94/409726094.db2.gz IXLZRABBROZIFY-BTTYYORXSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)SCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000309408772 167332584 /nfs/dbraw/zinc/33/25/84/167332584.db2.gz VGUWPJDESYXNGT-JHJVBQTASA-N 2 1 244.448 2.446 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000650703280 410334637 /nfs/dbraw/zinc/33/46/37/410334637.db2.gz SNYHTYYKMFNUCV-GXTWGEPZSA-N 2 1 244.382 2.344 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000650724300 410359728 /nfs/dbraw/zinc/35/97/28/410359728.db2.gz CAEOBYJRJZTMNA-WDEREUQCSA-N 2 1 232.318 2.091 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000650724300 410359736 /nfs/dbraw/zinc/35/97/36/410359736.db2.gz CAEOBYJRJZTMNA-WDEREUQCSA-N 2 1 232.318 2.091 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000650724299 410359853 /nfs/dbraw/zinc/35/98/53/410359853.db2.gz CAEOBYJRJZTMNA-QWRGUYRKSA-N 2 1 232.318 2.091 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000650724299 410359861 /nfs/dbraw/zinc/35/98/61/410359861.db2.gz CAEOBYJRJZTMNA-QWRGUYRKSA-N 2 1 232.318 2.091 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(O)c2)C[C@@H]1C[NH3+] ZINC000397251756 410535133 /nfs/dbraw/zinc/53/51/33/410535133.db2.gz CWFMYBCJYQGPAS-DYEKYZERSA-N 2 1 248.370 2.197 20 0 BEADMP CC[C@@H]1C[N@H+](Cc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000134095028 410665872 /nfs/dbraw/zinc/66/58/72/410665872.db2.gz YIAUZRJWTRBGOQ-OCCSQVGLSA-N 2 1 236.334 2.385 20 0 BEADMP CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000134095028 410665875 /nfs/dbraw/zinc/66/58/75/410665875.db2.gz YIAUZRJWTRBGOQ-OCCSQVGLSA-N 2 1 236.334 2.385 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)c2ccncc2)C1 ZINC000040592515 410880640 /nfs/dbraw/zinc/88/06/40/410880640.db2.gz PINSYXNOGMEWOC-CHWSQXEVSA-N 2 1 233.359 2.074 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2ccncc2)C1 ZINC000040592515 410880648 /nfs/dbraw/zinc/88/06/48/410880648.db2.gz PINSYXNOGMEWOC-CHWSQXEVSA-N 2 1 233.359 2.074 20 0 BEADMP CC(C)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000125263917 167097845 /nfs/dbraw/zinc/09/78/45/167097845.db2.gz CXSZLKLCLIAOOQ-GFCCVEGCSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000125263917 167097848 /nfs/dbraw/zinc/09/78/48/167097848.db2.gz CXSZLKLCLIAOOQ-GFCCVEGCSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040668399 167117540 /nfs/dbraw/zinc/11/75/40/167117540.db2.gz SDCFIEBGHKXLIW-OLZOCXBDSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)OC[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000309579223 167263763 /nfs/dbraw/zinc/26/37/63/167263763.db2.gz PWEWSLGBHJYDJE-ZDUSSCGKSA-N 2 1 230.396 2.120 20 0 BEADMP CC(C)SCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000304325759 167333673 /nfs/dbraw/zinc/33/36/73/167333673.db2.gz SVLFBSJFILVEQY-QWHCGFSZSA-N 2 1 242.432 2.344 20 0 BEADMP CC(C)[C@@H](C[NH2+]CC1CC1)[NH+]1CCCC1 ZINC000036883846 167399722 /nfs/dbraw/zinc/39/97/22/167399722.db2.gz IPYKNDIJMTTWSJ-CYBMUJFWSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000108324129 411144222 /nfs/dbraw/zinc/14/42/22/411144222.db2.gz NYNXRHISTOGBHF-OLZOCXBDSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1COC(C)(C)C1 ZINC000651864810 411148035 /nfs/dbraw/zinc/14/80/35/411148035.db2.gz FNQXRRKIZWXUIX-ZDUSSCGKSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCSCC2)CC[N@@H+]1C ZINC000657893030 411156341 /nfs/dbraw/zinc/15/63/41/411156341.db2.gz ZANKODMIUJTLMP-JHJVBQTASA-N 2 1 242.432 2.344 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCSCC2)CC[N@H+]1C ZINC000657893030 411156342 /nfs/dbraw/zinc/15/63/42/411156342.db2.gz ZANKODMIUJTLMP-JHJVBQTASA-N 2 1 242.432 2.344 20 0 BEADMP C[C@@H](C[NH3+])[N@H+](C)CCCc1c(F)cccc1F ZINC000655938502 411161061 /nfs/dbraw/zinc/16/10/61/411161061.db2.gz WLSDYBUTLXHWTN-JTQLQIEISA-N 2 1 242.313 2.176 20 0 BEADMP C[C@@H](C[NH3+])[N@@H+](C)CCCc1c(F)cccc1F ZINC000655938502 411161063 /nfs/dbraw/zinc/16/10/63/411161063.db2.gz WLSDYBUTLXHWTN-JTQLQIEISA-N 2 1 242.313 2.176 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000655949011 411161502 /nfs/dbraw/zinc/16/15/02/411161502.db2.gz KFEUEVRXIMYWLY-WCQYABFASA-N 2 1 210.365 2.378 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000300670436 411125066 /nfs/dbraw/zinc/12/50/66/411125066.db2.gz VUMSLKQTONTXIX-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000300670436 411125068 /nfs/dbraw/zinc/12/50/68/411125068.db2.gz VUMSLKQTONTXIX-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3CC=CC3)CC[C@H]21 ZINC000660009879 411172728 /nfs/dbraw/zinc/17/27/28/411172728.db2.gz CIIKLEYYTBMOOL-HUUCEWRRSA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3CC=CC3)CC[C@H]21 ZINC000660009879 411172732 /nfs/dbraw/zinc/17/27/32/411172732.db2.gz CIIKLEYYTBMOOL-HUUCEWRRSA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3CC=CC3)CC[C@H]21 ZINC000660009879 411172736 /nfs/dbraw/zinc/17/27/36/411172736.db2.gz CIIKLEYYTBMOOL-HUUCEWRRSA-N 2 1 234.387 2.369 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)CS1 ZINC000655696813 411242728 /nfs/dbraw/zinc/24/27/28/411242728.db2.gz KVQSIFJBOVQLDB-RAIGVLPGSA-N 2 1 242.432 2.200 20 0 BEADMP COC(C)(C)[C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000652222379 411175366 /nfs/dbraw/zinc/17/53/66/411175366.db2.gz MTFKSSAOYZYKTB-CYBMUJFWSA-N 2 1 244.423 2.367 20 0 BEADMP COC[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)C(C)C ZINC000652221995 411175656 /nfs/dbraw/zinc/17/56/56/411175656.db2.gz BTPGNTAPPRKIQH-AWEZNQCLSA-N 2 1 244.423 2.225 20 0 BEADMP CC(C)[NH+]1CCC([NH2+]C2CC(F)(F)C2)CC1 ZINC000309614796 411185668 /nfs/dbraw/zinc/18/56/68/411185668.db2.gz NOYKVKSXLFOAKP-UHFFFAOYSA-N 2 1 232.318 2.247 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000309996323 411194018 /nfs/dbraw/zinc/19/40/18/411194018.db2.gz CFFQNSQPOZXMIB-CHWSQXEVSA-N 2 1 210.365 2.106 20 0 BEADMP COC[C@H](CC(C)(C)C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000656202125 411206781 /nfs/dbraw/zinc/20/67/81/411206781.db2.gz ZAWLJRYSQIOZLI-RWMBFGLXSA-N 2 1 242.407 2.168 20 0 BEADMP COC[C@@H](CC(C)(C)C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000656202124 411206883 /nfs/dbraw/zinc/20/68/83/411206883.db2.gz ZAWLJRYSQIOZLI-JHJVBQTASA-N 2 1 242.407 2.168 20 0 BEADMP CC(C)CC[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000652343515 411208221 /nfs/dbraw/zinc/20/82/21/411208221.db2.gz OSBPNTCCVVXXRW-UONOGXRCSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccn1 ZINC000658064004 411229178 /nfs/dbraw/zinc/22/91/78/411229178.db2.gz MLMRGAKYBRSXMV-HZSPNIEDSA-N 2 1 247.386 2.257 20 0 BEADMP Cc1cccc([C@@H](C)[NH2+][C@H](C)C[NH3+])c1C ZINC000423326960 411238635 /nfs/dbraw/zinc/23/86/35/411238635.db2.gz NFBBPPOSOXMXBI-ZYHUDNBSSA-N 2 1 206.333 2.301 20 0 BEADMP Cc1ncc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)s1 ZINC000309790820 411239139 /nfs/dbraw/zinc/23/91/39/411239139.db2.gz UIENAJJMMDLIJJ-UWVGGRQHSA-N 2 1 241.404 2.300 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CS1 ZINC000655715865 411269228 /nfs/dbraw/zinc/26/92/28/411269228.db2.gz PHJKFAAHRRHKJY-RNJOBUHISA-N 2 1 242.432 2.343 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CS1 ZINC000655715865 411269230 /nfs/dbraw/zinc/26/92/30/411269230.db2.gz PHJKFAAHRRHKJY-RNJOBUHISA-N 2 1 242.432 2.343 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CS1 ZINC000655715864 411269667 /nfs/dbraw/zinc/26/96/67/411269667.db2.gz PHJKFAAHRRHKJY-NDBYEHHHSA-N 2 1 242.432 2.343 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CS1 ZINC000655715864 411269670 /nfs/dbraw/zinc/26/96/70/411269670.db2.gz PHJKFAAHRRHKJY-NDBYEHHHSA-N 2 1 242.432 2.343 20 0 BEADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@H]1C1CCCC1 ZINC000051890106 411284519 /nfs/dbraw/zinc/28/45/19/411284519.db2.gz FKKGFYYKAWFZGY-OCCSQVGLSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H]1c2ccsc2CC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000051889971 411285437 /nfs/dbraw/zinc/28/54/37/411285437.db2.gz UOQMBUSWTYWYBS-GHMZBOCLSA-N 2 1 236.384 2.277 20 0 BEADMP C[C@@H]1c2ccsc2CC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000051889971 411285440 /nfs/dbraw/zinc/28/54/40/411285440.db2.gz UOQMBUSWTYWYBS-GHMZBOCLSA-N 2 1 236.384 2.277 20 0 BEADMP C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC000051889985 411285787 /nfs/dbraw/zinc/28/57/87/411285787.db2.gz VWCPIOXSSFJNSC-LBPRGKRZSA-N 2 1 238.762 2.381 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)CC[N@H+]1C ZINC000658204773 411291992 /nfs/dbraw/zinc/29/19/92/411291992.db2.gz BIPUTNQOVLDKGD-QMIVOQANSA-N 2 1 236.403 2.495 20 0 BEADMP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)[C@H]2C1 ZINC000660226887 411300633 /nfs/dbraw/zinc/30/06/33/411300633.db2.gz ZNNDPRLLOODFBH-SUJAAXHWSA-N 2 1 248.414 2.449 20 0 BEADMP C[N@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)[C@H]2C1 ZINC000660226887 411300635 /nfs/dbraw/zinc/30/06/35/411300635.db2.gz ZNNDPRLLOODFBH-SUJAAXHWSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2CC[N@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)[C@H]2C1 ZINC000660226887 411300637 /nfs/dbraw/zinc/30/06/37/411300637.db2.gz ZNNDPRLLOODFBH-SUJAAXHWSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)[C@H]2C1 ZINC000660226887 411300639 /nfs/dbraw/zinc/30/06/39/411300639.db2.gz ZNNDPRLLOODFBH-SUJAAXHWSA-N 2 1 248.414 2.449 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC[C@]2(C)CC2(F)F)CC[N@H+]1C ZINC000658223085 411302338 /nfs/dbraw/zinc/30/23/38/411302338.db2.gz SKGZFQSBBJGRJY-GRYCIOLGSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000401786318 411330755 /nfs/dbraw/zinc/33/07/55/411330755.db2.gz ZTSXBUSTUVDUNS-UMSGYPCISA-N 2 1 210.365 2.153 20 0 BEADMP C[C@H]1C[NH2+]C[C@H]([NH2+]C2CCCCCC2)C1 ZINC000401785753 411330827 /nfs/dbraw/zinc/33/08/27/411330827.db2.gz ZOCHNTLNQALXFA-DGCLKSJQSA-N 2 1 210.365 2.297 20 0 BEADMP Cc1cccc(CC[NH2+][C@H]2C[NH2+]C[C@H](C)C2)c1 ZINC000401787906 411330845 /nfs/dbraw/zinc/33/08/45/411330845.db2.gz VAKFFKVLVRYKIM-UKRRQHHQSA-N 2 1 232.371 2.125 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC2=CCCC2)[C@@H](C)C1 ZINC000658292656 411325779 /nfs/dbraw/zinc/32/57/79/411325779.db2.gz FSUIYMCXJKBWPT-JSGCOSHPSA-N 2 1 222.376 2.417 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2=CCCC2)[C@H](C)C1 ZINC000658292658 411326078 /nfs/dbraw/zinc/32/60/78/411326078.db2.gz FSUIYMCXJKBWPT-TZMCWYRMSA-N 2 1 222.376 2.417 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(N)c2)[C@H](C)C1 ZINC000656785300 411357865 /nfs/dbraw/zinc/35/78/65/411357865.db2.gz NCSWBHUFVCBKCT-DOMZBBRYSA-N 2 1 247.386 2.089 20 0 BEADMP CC(C)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786199 411364228 /nfs/dbraw/zinc/36/42/28/411364228.db2.gz PNFFLLYYRPBPCG-AWEZNQCLSA-N 2 1 224.392 2.354 20 0 BEADMP Cc1ccc2c(c1)C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC000656787476 411365513 /nfs/dbraw/zinc/36/55/13/411365513.db2.gz LBMIPHKGOGXMMU-UHFFFAOYSA-N 2 1 244.382 2.353 20 0 BEADMP CC1(C)C[N@@H+](CCC[NH3+])CCc2ccccc21 ZINC000656787729 411367145 /nfs/dbraw/zinc/36/71/45/411367145.db2.gz SVPLGVPJOKFEBR-UHFFFAOYSA-N 2 1 232.371 2.171 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2cc(F)cc(F)c2)CCCC1 ZINC000656788484 411367812 /nfs/dbraw/zinc/36/78/12/411367812.db2.gz RKFSLJFUYGDNST-UHFFFAOYSA-N 2 1 240.297 2.326 20 0 BEADMP Cc1ccc(F)cc1C[NH2+]CC1([NH3+])CCCC1 ZINC000656789644 411369142 /nfs/dbraw/zinc/36/91/42/411369142.db2.gz UJKKBTNRNCFSIN-UHFFFAOYSA-N 2 1 236.334 2.495 20 0 BEADMP C[C@@H](C[NH+]1CC[C@@H]2C[C@@H]2C1)C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000661974284 411341563 /nfs/dbraw/zinc/34/15/63/411341563.db2.gz VSSSVRQTAOLSOC-FRXHMLBDSA-N 2 1 248.414 2.306 20 0 BEADMP C[C@H](C[NH+]1CC[C@H]2C[C@H]2C1)C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661974284 411341566 /nfs/dbraw/zinc/34/15/66/411341566.db2.gz VSSSVRQTAOLSOC-FRXHMLBDSA-N 2 1 248.414 2.306 20 0 BEADMP C[C@H](C[NH+]1CC[C@H]2C[C@H]2C1)C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661974284 411341568 /nfs/dbraw/zinc/34/15/68/411341568.db2.gz VSSSVRQTAOLSOC-FRXHMLBDSA-N 2 1 248.414 2.306 20 0 BEADMP C[C@]1(C[N@H+]2CCC[C@H](CCF)C2)CC[NH2+]C1 ZINC000656792228 411372330 /nfs/dbraw/zinc/37/23/30/411372330.db2.gz PUHYGXMZPWHWJN-OLZOCXBDSA-N 2 1 228.355 2.058 20 0 BEADMP CC1(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CCC1 ZINC000336631957 168023846 /nfs/dbraw/zinc/02/38/46/168023846.db2.gz AWFNHJQCAKIOKT-CQSZACIVSA-N 2 1 222.376 2.252 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CCC(C)CC2)C[C@@H]1[NH3+] ZINC000232859335 168152777 /nfs/dbraw/zinc/15/27/77/168152777.db2.gz IDYCQYCDURYUMF-KPFVRQRISA-N 2 1 210.365 2.092 20 0 BEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC1CCC(C)CC1 ZINC000126796121 168153418 /nfs/dbraw/zinc/15/34/18/168153418.db2.gz UGWOEEBBRLWTCZ-GNRIBBGQSA-N 2 1 224.392 2.482 20 0 BEADMP CC1CCC(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000221097770 168153934 /nfs/dbraw/zinc/15/39/34/168153934.db2.gz MKTSOJLVKAKZHW-YIOUJQMASA-N 2 1 224.392 2.482 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366486238 411382260 /nfs/dbraw/zinc/38/22/60/411382260.db2.gz CYEZBPYVHDEVDI-UONOGXRCSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[C@H](C)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366486238 411382262 /nfs/dbraw/zinc/38/22/62/411382262.db2.gz CYEZBPYVHDEVDI-UONOGXRCSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[C@H](C)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366486238 411382265 /nfs/dbraw/zinc/38/22/65/411382265.db2.gz CYEZBPYVHDEVDI-UONOGXRCSA-N 2 1 224.392 2.450 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360566190 168276173 /nfs/dbraw/zinc/27/61/73/168276173.db2.gz XWDARNGXPADGLW-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP CCC(C)(C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000309732808 168299521 /nfs/dbraw/zinc/29/95/21/168299521.db2.gz BOJRIADFTDZJOZ-UHFFFAOYSA-N 2 1 241.404 2.483 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC2CCC2)[C@@H]1CC[NH3+] ZINC000404392555 411393147 /nfs/dbraw/zinc/39/31/47/411393147.db2.gz YWNJMKYYKWIFNA-DGCLKSJQSA-N 2 1 210.365 2.236 20 0 BEADMP CC[N@H+](CCCc1c[nH+]cn1C)C(C)C ZINC000653502424 411414163 /nfs/dbraw/zinc/41/41/63/411414163.db2.gz CMYLIBMPSSKOEA-UHFFFAOYSA-N 2 1 209.337 2.083 20 0 BEADMP CC[N@@H+](CCCc1c[nH+]cn1C)C(C)C ZINC000653502424 411414165 /nfs/dbraw/zinc/41/41/65/411414165.db2.gz CMYLIBMPSSKOEA-UHFFFAOYSA-N 2 1 209.337 2.083 20 0 BEADMP C[C@@H]1C[C@@H](C[N@@H+]2CCCC(F)(F)C2)CC[NH2+]1 ZINC000405044245 411414284 /nfs/dbraw/zinc/41/42/84/411414284.db2.gz YGFSZZYHBWYELC-MNOVXSKESA-N 2 1 232.318 2.106 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC(F)(F)C2)CC[NH2+]1 ZINC000405044245 411414286 /nfs/dbraw/zinc/41/42/86/411414286.db2.gz YGFSZZYHBWYELC-MNOVXSKESA-N 2 1 232.318 2.106 20 0 BEADMP CCO[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C[NH3+] ZINC000405544728 411434411 /nfs/dbraw/zinc/43/44/11/411434411.db2.gz VICQWUOCIDJROV-CHWSQXEVSA-N 2 1 242.407 2.108 20 0 BEADMP C[N@H+](CCC[NH3+])Cc1cc(-c2ccccc2)no1 ZINC000123313912 411442449 /nfs/dbraw/zinc/44/24/49/411442449.db2.gz MTZGMXFJRFQKKU-UHFFFAOYSA-N 2 1 245.326 2.122 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1cc(-c2ccccc2)no1 ZINC000123313912 411442453 /nfs/dbraw/zinc/44/24/53/411442453.db2.gz MTZGMXFJRFQKKU-UHFFFAOYSA-N 2 1 245.326 2.122 20 0 BEADMP C[N@@H+](CCCC1CC[NH2+]CC1)C1CCC1 ZINC000127551379 411495038 /nfs/dbraw/zinc/49/50/38/411495038.db2.gz FFIJLEXRDZWJDX-UHFFFAOYSA-N 2 1 210.365 2.251 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000659929027 411501476 /nfs/dbraw/zinc/50/14/76/411501476.db2.gz WIUBLJJAGMIQEW-BARDWOONSA-N 2 1 236.403 2.306 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccnc2)C1 ZINC000037644022 170008109 /nfs/dbraw/zinc/00/81/09/170008109.db2.gz HHPYPQBUVMMREZ-STQMWFEESA-N 2 1 233.359 2.074 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC000037643766 170008483 /nfs/dbraw/zinc/00/84/83/170008483.db2.gz MLTRXASPVGIIQH-ZDUSSCGKSA-N 2 1 236.334 2.257 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCCCC2)C1 ZINC000037484161 170008709 /nfs/dbraw/zinc/00/87/09/170008709.db2.gz TXCWOFAVPNFTLP-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CC2)C[C@@H]1C ZINC000336648179 170010361 /nfs/dbraw/zinc/01/03/61/170010361.db2.gz NRSAZOIPPIDPJF-WCQYABFASA-N 2 1 210.365 2.201 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CC2)C[C@@H]1C ZINC000336648179 170010363 /nfs/dbraw/zinc/01/03/63/170010363.db2.gz NRSAZOIPPIDPJF-WCQYABFASA-N 2 1 210.365 2.201 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CC2)C[C@@H]1C ZINC000336648179 170010364 /nfs/dbraw/zinc/01/03/64/170010364.db2.gz NRSAZOIPPIDPJF-WCQYABFASA-N 2 1 210.365 2.201 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCC(C)CC2)C1 ZINC000037484172 170015344 /nfs/dbraw/zinc/01/53/44/170015344.db2.gz PITVDHRDZDCJRZ-ROKHWSDSSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]C2CC3(CCC3)C2)C1 ZINC000336776605 170015596 /nfs/dbraw/zinc/01/55/96/170015596.db2.gz GDHOXLNSEMNUQD-GFCCVEGCSA-N 2 1 222.376 2.251 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC000037643773 170015871 /nfs/dbraw/zinc/01/58/71/170015871.db2.gz BYAAHDAHARGDLY-OAHLLOKOSA-N 2 1 232.371 2.426 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000037484274 170015898 /nfs/dbraw/zinc/01/58/98/170015898.db2.gz MHZUPRZVHCWLDL-UONOGXRCSA-N 2 1 222.376 2.274 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000337983868 170016480 /nfs/dbraw/zinc/01/64/80/170016480.db2.gz CHLOFLOWKSSAKB-YUELXQCFSA-N 2 1 236.403 2.497 20 0 BEADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cncs2)C1 ZINC000132426424 170016594 /nfs/dbraw/zinc/01/65/94/170016594.db2.gz ZQLWLVXAVOEWLS-WDEREUQCSA-N 2 1 239.388 2.136 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cncs2)C1 ZINC000132426424 170016595 /nfs/dbraw/zinc/01/65/95/170016595.db2.gz ZQLWLVXAVOEWLS-WDEREUQCSA-N 2 1 239.388 2.136 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CC2(C)C)C1 ZINC000309973732 170017154 /nfs/dbraw/zinc/01/71/54/170017154.db2.gz RESWJAKVCSRVCU-UPJWGTAASA-N 2 1 224.392 2.352 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CC2(C)C)C1 ZINC000309973731 170017277 /nfs/dbraw/zinc/01/72/77/170017277.db2.gz RESWJAKVCSRVCU-JHJVBQTASA-N 2 1 224.392 2.352 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCOC)C[C@@H]1C ZINC000336718069 170019829 /nfs/dbraw/zinc/01/98/29/170019829.db2.gz ZPSYWRFCHCFCJP-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCOC)C[C@@H]1C ZINC000336718069 170019831 /nfs/dbraw/zinc/01/98/31/170019831.db2.gz ZPSYWRFCHCFCJP-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCOC)C[C@@H]1C ZINC000336718069 170019833 /nfs/dbraw/zinc/01/98/33/170019833.db2.gz ZPSYWRFCHCFCJP-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCCCF)[C@@H](C)C1 ZINC000309063945 170020950 /nfs/dbraw/zinc/02/09/50/170020950.db2.gz YHLQEGPPODKSSE-RYUDHWBXSA-N 2 1 216.344 2.056 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)F)[C@H](C)C1 ZINC000340463553 170021680 /nfs/dbraw/zinc/02/16/80/170021680.db2.gz QZLHYIHRLQPKFO-WOPDTQHZSA-N 2 1 216.344 2.054 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](F)C2)[C@H](C)C1 ZINC000336778106 170022071 /nfs/dbraw/zinc/02/20/71/170022071.db2.gz KIXGLWUAOLWXGN-XQHKEYJVSA-N 2 1 228.355 2.197 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC2(C)C)[C@@H](C)C1 ZINC000309043411 170022618 /nfs/dbraw/zinc/02/26/18/170022618.db2.gz MUAGHNVKEZFJBD-SRVKXCTJSA-N 2 1 210.365 2.105 20 0 BEADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000307624120 170040898 /nfs/dbraw/zinc/04/08/98/170040898.db2.gz FJTSJNSPVZSZPB-HZPDHXFCSA-N 2 1 244.382 2.460 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000307624120 170040899 /nfs/dbraw/zinc/04/08/99/170040899.db2.gz FJTSJNSPVZSZPB-HZPDHXFCSA-N 2 1 244.382 2.460 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000307624120 170040900 /nfs/dbraw/zinc/04/09/00/170040900.db2.gz FJTSJNSPVZSZPB-HZPDHXFCSA-N 2 1 244.382 2.460 20 0 BEADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CCCCO1 ZINC000655848706 411536909 /nfs/dbraw/zinc/53/69/09/411536909.db2.gz JWULZFIMMKSXLR-UONOGXRCSA-N 2 1 240.391 2.018 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1ccoc1 ZINC000657654685 411571279 /nfs/dbraw/zinc/57/12/79/411571279.db2.gz YIMMHOGWNKIHJX-UHFFFAOYSA-N 2 1 245.326 2.073 20 0 BEADMP c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c[nH]1 ZINC000663344974 411633968 /nfs/dbraw/zinc/63/39/68/411633968.db2.gz DIJDVEXQYUAAJG-HNNXBMFYSA-N 2 1 247.386 2.226 20 0 BEADMP C1C[C@@H]2[C@H](C1)[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657734110 411587814 /nfs/dbraw/zinc/58/78/14/411587814.db2.gz FNPDESKYLFJAOM-XGFWRYKXSA-N 2 1 220.360 2.001 20 0 BEADMP c1coc(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000657781643 411597669 /nfs/dbraw/zinc/59/76/69/411597669.db2.gz FOAJYVQJXKACJN-ZIAGYGMSSA-N 2 1 248.370 2.429 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657823593 411607106 /nfs/dbraw/zinc/60/71/06/411607106.db2.gz NLIHCKFOVJKHHD-HZSPNIEDSA-N 2 1 236.403 2.495 20 0 BEADMP CC(C)=CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660653893 411612955 /nfs/dbraw/zinc/61/29/55/411612955.db2.gz DISVALVPVFMDTH-AWEZNQCLSA-N 2 1 222.376 2.370 20 0 BEADMP CC(C)=CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660653893 411612956 /nfs/dbraw/zinc/61/29/56/411612956.db2.gz DISVALVPVFMDTH-AWEZNQCLSA-N 2 1 222.376 2.370 20 0 BEADMP CC(C)=CC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660653893 411612957 /nfs/dbraw/zinc/61/29/57/411612957.db2.gz DISVALVPVFMDTH-AWEZNQCLSA-N 2 1 222.376 2.370 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CC(CF)(CF)C1 ZINC000657865751 411613550 /nfs/dbraw/zinc/61/35/50/411613550.db2.gz CNXLWMGJTZENRT-LLVKDONJSA-N 2 1 248.361 2.394 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CC(CF)(CF)C1 ZINC000657865751 411613554 /nfs/dbraw/zinc/61/35/54/411613554.db2.gz CNXLWMGJTZENRT-LLVKDONJSA-N 2 1 248.361 2.394 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)CS1 ZINC000131962648 411705803 /nfs/dbraw/zinc/70/58/03/411705803.db2.gz HRZXFLFATLRAEO-NWDGAFQWSA-N 2 1 242.432 2.344 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCCC2)CS1 ZINC000131962228 411705978 /nfs/dbraw/zinc/70/59/78/411705978.db2.gz HRZXFLFATLRAEO-RYUDHWBXSA-N 2 1 242.432 2.344 20 0 BEADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCC[NH3+] ZINC000133205499 411655089 /nfs/dbraw/zinc/65/50/89/411655089.db2.gz YMVPUMNMZBQZQB-ZDUSSCGKSA-N 2 1 206.333 2.418 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2CCCC[C@@H]21 ZINC000660933308 411684112 /nfs/dbraw/zinc/68/41/12/411684112.db2.gz OQPIICOSEABOCN-IHRRRGAJSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660933308 411684114 /nfs/dbraw/zinc/68/41/14/411684114.db2.gz OQPIICOSEABOCN-IHRRRGAJSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660933308 411684118 /nfs/dbraw/zinc/68/41/18/411684118.db2.gz OQPIICOSEABOCN-IHRRRGAJSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000663509804 411692820 /nfs/dbraw/zinc/69/28/20/411692820.db2.gz AOCGXKIYWJRXJF-RYUDHWBXSA-N 2 1 238.350 2.344 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)Cc1ccccc1C ZINC000663512683 411695730 /nfs/dbraw/zinc/69/57/30/411695730.db2.gz HIUYGSCODOEHBR-OLZOCXBDSA-N 2 1 220.360 2.124 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000663514814 411697009 /nfs/dbraw/zinc/69/70/09/411697009.db2.gz UCWANNFJHAWARG-RNCFNFMXSA-N 2 1 238.762 2.005 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CCc1ccsc1 ZINC000663514976 411697071 /nfs/dbraw/zinc/69/70/71/411697071.db2.gz XKENRVIVYYRBML-GHMZBOCLSA-N 2 1 226.389 2.267 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CCc1ccccc1F ZINC000663514926 411697333 /nfs/dbraw/zinc/69/73/33/411697333.db2.gz WDTHGPBXHOZQIX-VXGBXAGGSA-N 2 1 238.350 2.344 20 0 BEADMP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000661231543 411737745 /nfs/dbraw/zinc/73/77/45/411737745.db2.gz NXAZCLHHNYMOSO-CHWSQXEVSA-N 2 1 244.423 2.102 20 0 BEADMP C[N@@H+]1CC=C(CNc2[nH+]ccc3[nH]ccc32)CC1 ZINC000663776369 411744546 /nfs/dbraw/zinc/74/45/46/411744546.db2.gz RCSOLKHCKCDUCC-UHFFFAOYSA-N 2 1 242.326 2.237 20 0 BEADMP Cc1ccc2c(c1)C[N@H+](CCn1ccnc1)CC2 ZINC000661371102 411756401 /nfs/dbraw/zinc/75/64/01/411756401.db2.gz CZBMXOVLXBURTI-UHFFFAOYSA-N 2 1 241.338 2.250 20 0 BEADMP C[C@H]([NH2+]Cc1c[nH]cn1)C1CCC(F)CC1 ZINC000661997751 411937117 /nfs/dbraw/zinc/93/71/17/411937117.db2.gz CDOFZMGXKPRYDG-WHXUTIOJSA-N 2 1 225.311 2.416 20 0 BEADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCCCOC ZINC000662175081 412019876 /nfs/dbraw/zinc/01/98/76/412019876.db2.gz JEIYNCGBVXTTPU-UHFFFAOYSA-N 2 1 230.396 2.123 20 0 BEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCCCOC ZINC000662175081 412019879 /nfs/dbraw/zinc/01/98/79/412019879.db2.gz JEIYNCGBVXTTPU-UHFFFAOYSA-N 2 1 230.396 2.123 20 0 BEADMP CCC[N@H+](C)CC(C)(C)[NH2+]CC[C@@H]1CCOC1 ZINC000662179370 412021135 /nfs/dbraw/zinc/02/11/35/412021135.db2.gz KDIDHUSYSYAHSG-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CC[C@@H]1CCOC1 ZINC000662179370 412021137 /nfs/dbraw/zinc/02/11/37/412021137.db2.gz KDIDHUSYSYAHSG-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP CO[C@H](C[N@@H+]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000662235338 412033863 /nfs/dbraw/zinc/03/38/63/412033863.db2.gz QOFLJDLDHOEXEU-ZIAGYGMSSA-N 2 1 240.391 2.005 20 0 BEADMP CO[C@H](C[N@H+]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000662235338 412033868 /nfs/dbraw/zinc/03/38/68/412033868.db2.gz QOFLJDLDHOEXEU-ZIAGYGMSSA-N 2 1 240.391 2.005 20 0 BEADMP C(CC1CCC1)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662243832 412039343 /nfs/dbraw/zinc/03/93/43/412039343.db2.gz FHEQDGUMKVDDBJ-KGLIPLIRSA-N 2 1 222.376 2.393 20 0 BEADMP C(CC1CCC1)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662243832 412039348 /nfs/dbraw/zinc/03/93/48/412039348.db2.gz FHEQDGUMKVDDBJ-KGLIPLIRSA-N 2 1 222.376 2.393 20 0 BEADMP CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000662246336 412043675 /nfs/dbraw/zinc/04/36/75/412043675.db2.gz SNBQWSCNHOJCEY-VHSXEESVSA-N 2 1 220.307 2.091 20 0 BEADMP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000662246336 412043679 /nfs/dbraw/zinc/04/36/79/412043679.db2.gz SNBQWSCNHOJCEY-VHSXEESVSA-N 2 1 220.307 2.091 20 0 BEADMP CC(C)=CCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000662264115 412055521 /nfs/dbraw/zinc/05/55/21/412055521.db2.gz AYQCGFLQHLDNGK-MJBXVCDLSA-N 2 1 222.376 2.402 20 0 BEADMP [NH3+]CC[N@@H+](Cc1ccccc1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662265173 412055760 /nfs/dbraw/zinc/05/57/60/412055760.db2.gz GCFMUKNYCCDKOU-MUJYYYPQSA-N 2 1 244.382 2.493 20 0 BEADMP [NH3+]CC[N@H+](Cc1ccccc1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662265173 412055764 /nfs/dbraw/zinc/05/57/64/412055764.db2.gz GCFMUKNYCCDKOU-MUJYYYPQSA-N 2 1 244.382 2.493 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC000662264166 412056404 /nfs/dbraw/zinc/05/64/04/412056404.db2.gz BOJURTKJJYKZCB-DGCLKSJQSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC000662264165 412056543 /nfs/dbraw/zinc/05/65/43/412056543.db2.gz BOJURTKJJYKZCB-AAEUAGOBSA-N 2 1 210.365 2.236 20 0 BEADMP C1=CCC(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000662263503 412056790 /nfs/dbraw/zinc/05/67/90/412056790.db2.gz BVMGPPNAGGBQGM-GJZGRUSLSA-N 2 1 234.387 2.417 20 0 BEADMP CC[C@H]1C[N@@H+](Cc2cccc(OC)c2)CC[C@@H]1[NH3+] ZINC000134100427 412057695 /nfs/dbraw/zinc/05/76/95/412057695.db2.gz YOBRXQPRMUSGAU-ZFWWWQNUSA-N 2 1 248.370 2.254 20 0 BEADMP CC[C@@H]1CC[C@@H](C)[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000251686715 171039221 /nfs/dbraw/zinc/03/92/21/171039221.db2.gz PPSWVQXXPHDNNZ-JHJVBQTASA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@H+](CC)C(C)C ZINC000309236958 171041555 /nfs/dbraw/zinc/04/15/55/171041555.db2.gz XRTYYHRYJDOXII-OLZOCXBDSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+](CC)C(C)C ZINC000309236958 171041557 /nfs/dbraw/zinc/04/15/57/171041557.db2.gz XRTYYHRYJDOXII-OLZOCXBDSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000309209274 171043784 /nfs/dbraw/zinc/04/37/84/171043784.db2.gz SOUJZLGOIYEMLP-UPJWGTAASA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000310018934 171058939 /nfs/dbraw/zinc/05/89/39/171058939.db2.gz MGCCUOQCNXHRPB-YRGRVCCFSA-N 2 1 222.376 2.249 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1CC[C@H]1CC ZINC000309176729 171059219 /nfs/dbraw/zinc/05/92/19/171059219.db2.gz MZDCAGBXUCASBM-JHJVBQTASA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@H]1CC ZINC000309176729 171059220 /nfs/dbraw/zinc/05/92/20/171059220.db2.gz MZDCAGBXUCASBM-JHJVBQTASA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H]1C[N@@H+](CC2CC=CC2)CC[C@H]1[NH3+] ZINC000662270852 412063658 /nfs/dbraw/zinc/06/36/58/412063658.db2.gz PZZXQZTUMOPXIU-QWHCGFSZSA-N 2 1 208.349 2.012 20 0 BEADMP CO[C@H](C[N@H+]1CCCC[C@@H]1CC[NH3+])C1CCC1 ZINC000662272589 412063977 /nfs/dbraw/zinc/06/39/77/412063977.db2.gz GVECBOWEVMPQIZ-ZIAGYGMSSA-N 2 1 240.391 2.005 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662275679 412067447 /nfs/dbraw/zinc/06/74/47/412067447.db2.gz GOTHZYNNRPPINK-ZSAUSMIDSA-N 2 1 234.387 2.106 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662275679 412067448 /nfs/dbraw/zinc/06/74/48/412067448.db2.gz GOTHZYNNRPPINK-ZSAUSMIDSA-N 2 1 234.387 2.106 20 0 BEADMP C[C@H]1CC[N@@H+](CCCC2CCC2)C[C@@H]1C[NH3+] ZINC000662280467 412070567 /nfs/dbraw/zinc/07/05/67/412070567.db2.gz FBDDGEJABNCNTD-JSGCOSHPSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@@H]1CC[N@@H+](CCCC2CCC2)C[C@H]1C[NH3+] ZINC000662280469 412071099 /nfs/dbraw/zinc/07/10/99/412071099.db2.gz FBDDGEJABNCNTD-TZMCWYRMSA-N 2 1 224.392 2.483 20 0 BEADMP CCC(CC)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000662278011 412071245 /nfs/dbraw/zinc/07/12/45/412071245.db2.gz UTMUJWPHBISWJM-GMXVVIOVSA-N 2 1 212.381 2.399 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C[C@@H](OC)C1CCCCC1 ZINC000662280343 412071300 /nfs/dbraw/zinc/07/13/00/412071300.db2.gz COGZYOAMPPJVGR-CQSZACIVSA-N 2 1 242.407 2.123 20 0 BEADMP CC[C@H](C)C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000310266578 171282982 /nfs/dbraw/zinc/28/29/82/171282982.db2.gz FNVWSFIDWPQVGF-AEGPPILISA-N 2 1 232.371 2.459 20 0 BEADMP CC[C@H](C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000310266578 171282984 /nfs/dbraw/zinc/28/29/84/171282984.db2.gz FNVWSFIDWPQVGF-AEGPPILISA-N 2 1 232.371 2.459 20 0 BEADMP CC[C@H](C)C[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000308613341 171286264 /nfs/dbraw/zinc/28/62/64/171286264.db2.gz RFBRVGDBBMMTIT-RYUDHWBXSA-N 2 1 200.370 2.351 20 0 BEADMP CC[C@H](C)C[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000308613341 171286265 /nfs/dbraw/zinc/28/62/65/171286265.db2.gz RFBRVGDBBMMTIT-RYUDHWBXSA-N 2 1 200.370 2.351 20 0 BEADMP CC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000309220312 171287386 /nfs/dbraw/zinc/28/73/86/171287386.db2.gz VDABTMBQWNUWGD-RWMBFGLXSA-N 2 1 212.381 2.352 20 0 BEADMP CCCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295419 412083769 /nfs/dbraw/zinc/08/37/69/412083769.db2.gz REBHKENGRRUFOC-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP CC[C@H](C)[N@H+](CC[NH3+])Cc1ccccc1 ZINC000032011650 171313409 /nfs/dbraw/zinc/31/34/09/171313409.db2.gz BUKYQQDYSRHIOW-LBPRGKRZSA-N 2 1 206.333 2.246 20 0 BEADMP CC[C@H](C)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000032011650 171313412 /nfs/dbraw/zinc/31/34/12/171313412.db2.gz BUKYQQDYSRHIOW-LBPRGKRZSA-N 2 1 206.333 2.246 20 0 BEADMP CC[C@@H](CC(F)F)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662307044 412085682 /nfs/dbraw/zinc/08/56/82/412085682.db2.gz VAXHZZLTWFNIRM-BMQDGWLCSA-N 2 1 232.318 2.091 20 0 BEADMP CC[C@@H](CC(F)F)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662307044 412085685 /nfs/dbraw/zinc/08/56/85/412085685.db2.gz VAXHZZLTWFNIRM-BMQDGWLCSA-N 2 1 232.318 2.091 20 0 BEADMP COc1cccc([C@@H](C)[N@H+](C)CC(C)(C)[NH3+])c1 ZINC000662293585 412081380 /nfs/dbraw/zinc/08/13/80/412081380.db2.gz UWJYECNYNQYLOM-LLVKDONJSA-N 2 1 236.359 2.425 20 0 BEADMP COc1cccc([C@@H](C)[N@@H+](C)CC(C)(C)[NH3+])c1 ZINC000662293585 412081384 /nfs/dbraw/zinc/08/13/84/412081384.db2.gz UWJYECNYNQYLOM-LLVKDONJSA-N 2 1 236.359 2.425 20 0 BEADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1CCC[NH2+]C ZINC000310032345 171380958 /nfs/dbraw/zinc/38/09/58/171380958.db2.gz RLBATALYANPPQC-STQMWFEESA-N 2 1 212.381 2.497 20 0 BEADMP Cc1ccc2c(c1)C[N@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000662298806 412086957 /nfs/dbraw/zinc/08/69/57/412086957.db2.gz HEUPCZZYDOUCRB-AWEZNQCLSA-N 2 1 244.382 2.353 20 0 BEADMP [NH3+]CC12CC(C1)C[N@H+]2CCC1CCCCC1 ZINC000662303393 412088942 /nfs/dbraw/zinc/08/89/42/412088942.db2.gz BUQOUPMGMCOIIH-UHFFFAOYSA-N 2 1 222.376 2.380 20 0 BEADMP CC(C)(C)CCC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662305253 412090761 /nfs/dbraw/zinc/09/07/61/412090761.db2.gz GBZYCLPYCVPNAR-UHFFFAOYSA-N 2 1 210.365 2.236 20 0 BEADMP C[NH2+]CCC[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000662305976 412091639 /nfs/dbraw/zinc/09/16/39/412091639.db2.gz MKWWHFHNTMQODN-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP CCC(CC)CCC[N@@H+](C)C[C@@H](C)[NH3+] ZINC000662316146 412097075 /nfs/dbraw/zinc/09/70/75/412097075.db2.gz IYEFCLNDVAXDBA-LLVKDONJSA-N 2 1 200.370 2.482 20 0 BEADMP [NH3+]CCOCC[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000662319634 412100932 /nfs/dbraw/zinc/10/09/32/412100932.db2.gz PCUIKAMYMORBCW-AWEZNQCLSA-N 2 1 240.391 2.006 20 0 BEADMP CCCCC[C@@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000662320846 412101145 /nfs/dbraw/zinc/10/11/45/412101145.db2.gz WXPYMKXYMHGORP-CQSZACIVSA-N 2 1 242.407 2.397 20 0 BEADMP [NH3+]C1(C[NH2+][C@H]2CCCc3cccnc32)CCCC1 ZINC000665246984 412191515 /nfs/dbraw/zinc/19/15/15/412191515.db2.gz SJOUKXQFDRMZTI-ZDUSSCGKSA-N 2 1 245.370 2.320 20 0 BEADMP Cc1ccc2oc(C[NH2+][C@H](C)C3C[NH2+]C3)cc2c1 ZINC000665261668 412204005 /nfs/dbraw/zinc/20/40/05/412204005.db2.gz JFDHMTKBHOLCAS-LLVKDONJSA-N 2 1 244.338 2.439 20 0 BEADMP C[C@H]([NH2+]CCC(C)(C)F)c1c[nH+]ccc1N ZINC000665262263 412204989 /nfs/dbraw/zinc/20/49/89/412204989.db2.gz XHMKJZYDIHYNHT-VIFPVBQESA-N 2 1 225.311 2.283 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000665263800 412206864 /nfs/dbraw/zinc/20/68/64/412206864.db2.gz UZTDVYADVLTPEW-DGTMBMJNSA-N 2 1 222.376 2.010 20 0 BEADMP C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000665264632 412207229 /nfs/dbraw/zinc/20/72/29/412207229.db2.gz FCYFZUNQTSKRIC-HBNTYKKESA-N 2 1 232.318 2.152 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)[C@H]1CCCC[NH2+]1 ZINC000665264672 412207774 /nfs/dbraw/zinc/20/77/74/412207774.db2.gz FUDDMIOWWIUZMM-XJFOESAGSA-N 2 1 240.391 2.064 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)[C@H]1CCC[NH2+]1 ZINC000665273736 412215447 /nfs/dbraw/zinc/21/54/47/412215447.db2.gz CKQMDMNMGXRJTR-OPRDCNLKSA-N 2 1 232.318 2.008 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC1CCC1 ZINC000665267305 412210832 /nfs/dbraw/zinc/21/08/32/412210832.db2.gz UJWOVXNDOWIGDG-AAEUAGOBSA-N 2 1 210.365 2.154 20 0 BEADMP C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)[C@H]1CCC[NH2+]1 ZINC000665273730 412215570 /nfs/dbraw/zinc/21/55/70/412215570.db2.gz CKQMDMNMGXRJTR-AEJSXWLSSA-N 2 1 232.318 2.008 20 0 BEADMP C[C@H](Cc1cccs1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277130 412221442 /nfs/dbraw/zinc/22/14/42/412221442.db2.gz UQVUBIWQDBZFRP-XSRFYTQQSA-N 2 1 236.384 2.021 20 0 BEADMP CCCCO[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH2+]C)C1(C)C ZINC000665296060 412242121 /nfs/dbraw/zinc/24/21/21/412242121.db2.gz MIRCPBADMWICJM-JHJVBQTASA-N 2 1 242.407 2.168 20 0 BEADMP C[C@@H]1C[C@@H](Nc2cc[nH+]c3ccsc32)CC[NH2+]1 ZINC000663238861 412397659 /nfs/dbraw/zinc/39/76/59/412397659.db2.gz DUWOBZBDACSSOQ-ZJUUUORDSA-N 2 1 247.367 2.271 20 0 BEADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC1CCC1 ZINC000061458134 172778499 /nfs/dbraw/zinc/77/84/99/172778499.db2.gz QMUYLBWURVXLMG-GFCCVEGCSA-N 2 1 210.365 2.108 20 0 BEADMP C[N@@H+](C[C@H]1CC[NH2+]C1)C1CCCCCC1 ZINC000051889543 172833999 /nfs/dbraw/zinc/83/39/99/172833999.db2.gz FFITTXVYOFQKCB-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP C[NH+]1CCC([NH2+]CCC2CCCC2)CC1 ZINC000037739325 172993565 /nfs/dbraw/zinc/99/35/65/172993565.db2.gz CDONIWYMVAZADO-UHFFFAOYSA-N 2 1 210.365 2.251 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC1(C)C ZINC000336556116 173028768 /nfs/dbraw/zinc/02/87/68/173028768.db2.gz HVYUGPAYLYWYTL-GFCCVEGCSA-N 2 1 210.365 2.345 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC1(C)C ZINC000336556116 173028771 /nfs/dbraw/zinc/02/87/71/173028771.db2.gz HVYUGPAYLYWYTL-GFCCVEGCSA-N 2 1 210.365 2.345 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC1(C)C ZINC000336556116 173028772 /nfs/dbraw/zinc/02/87/72/173028772.db2.gz HVYUGPAYLYWYTL-GFCCVEGCSA-N 2 1 210.365 2.345 20 0 BEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC3CC3)CC[C@@H]21 ZINC000335904937 173037234 /nfs/dbraw/zinc/03/72/34/173037234.db2.gz NYEYWFWAYBDVLA-KGLIPLIRSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC3CC3)CC[C@@H]21 ZINC000335904937 173037236 /nfs/dbraw/zinc/03/72/36/173037236.db2.gz NYEYWFWAYBDVLA-KGLIPLIRSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC3CC3)CC[C@@H]21 ZINC000335904937 173037239 /nfs/dbraw/zinc/03/72/39/173037239.db2.gz NYEYWFWAYBDVLA-KGLIPLIRSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@H+]1CCC[C@@]2(CC[NH+](CC3CCC3)C2)C1 ZINC000336581153 173039740 /nfs/dbraw/zinc/03/97/40/173039740.db2.gz LLYQVGJQMKKXGZ-CQSZACIVSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CCC[C@@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC000336581153 173039741 /nfs/dbraw/zinc/03/97/41/173039741.db2.gz LLYQVGJQMKKXGZ-CQSZACIVSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC000336581153 173039744 /nfs/dbraw/zinc/03/97/44/173039744.db2.gz LLYQVGJQMKKXGZ-CQSZACIVSA-N 2 1 222.376 2.204 20 0 BEADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC000336280404 173138056 /nfs/dbraw/zinc/13/80/56/173138056.db2.gz CVUIVKFNWLDFAC-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC000336280404 173138057 /nfs/dbraw/zinc/13/80/57/173138057.db2.gz CVUIVKFNWLDFAC-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC000336280404 173138059 /nfs/dbraw/zinc/13/80/59/173138059.db2.gz CVUIVKFNWLDFAC-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C)[C@@H]2CCC[C@@H]21 ZINC000368600183 173152104 /nfs/dbraw/zinc/15/21/04/173152104.db2.gz AYLGWYYKZBCPIR-AVGNSLFASA-N 2 1 224.392 2.495 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CC2)[C@@H]2CCC[C@H]21 ZINC000336770478 173152275 /nfs/dbraw/zinc/15/22/75/173152275.db2.gz SXOQOIXBJNQVTM-RWMBFGLXSA-N 2 1 222.376 2.249 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC2(C)C)[C@H]2CCC[C@@H]21 ZINC000353399064 173152671 /nfs/dbraw/zinc/15/26/71/173152671.db2.gz ANQSOZWLXUWSGI-CRWXNKLISA-N 2 1 236.403 2.495 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CC2)[C@H]2CCC[C@H]21 ZINC000336770477 173152921 /nfs/dbraw/zinc/15/29/21/173152921.db2.gz SXOQOIXBJNQVTM-FRRDWIJNSA-N 2 1 222.376 2.249 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC2(C)C)[C@@H]2CCC[C@@H]21 ZINC000336726554 173154746 /nfs/dbraw/zinc/15/47/46/173154746.db2.gz CCSCJFYWAXFXHA-ZDEQEGDKSA-N 2 1 222.376 2.247 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1cccc2cccnc21 ZINC000124782681 173345828 /nfs/dbraw/zinc/34/58/28/173345828.db2.gz HJZYAWNZZVTPJM-UHFFFAOYSA-N 2 1 243.354 2.276 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1cccs1 ZINC000336714962 173347117 /nfs/dbraw/zinc/34/71/17/173347117.db2.gz VCKSKNYTEHSHHA-NSHDSACASA-N 2 1 224.373 2.495 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C)s2)C1 ZINC000040591684 173367568 /nfs/dbraw/zinc/36/75/68/173367568.db2.gz HGWQFXDDFBRTCP-LBPRGKRZSA-N 2 1 238.400 2.488 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2OC)C1 ZINC000011888736 173367638 /nfs/dbraw/zinc/36/76/38/173367638.db2.gz YCNYNFXCFMKCGM-ZDUSSCGKSA-N 2 1 248.370 2.127 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2OC)C1 ZINC000011888736 173367639 /nfs/dbraw/zinc/36/76/39/173367639.db2.gz YCNYNFXCFMKCGM-ZDUSSCGKSA-N 2 1 248.370 2.127 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)c2cccnc2)C1 ZINC000251272104 173368281 /nfs/dbraw/zinc/36/82/81/173368281.db2.gz ONBGGHIHXWUELJ-OLZOCXBDSA-N 2 1 233.359 2.074 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)c2cccnc2)C1 ZINC000251272104 173368282 /nfs/dbraw/zinc/36/82/82/173368282.db2.gz ONBGGHIHXWUELJ-OLZOCXBDSA-N 2 1 233.359 2.074 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2sccc2C)C1 ZINC000040591982 173368359 /nfs/dbraw/zinc/36/83/59/173368359.db2.gz HJQUDXYRXVLKEL-LBPRGKRZSA-N 2 1 238.400 2.488 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCC(C)(C)C ZINC000300935881 173369068 /nfs/dbraw/zinc/36/90/68/173369068.db2.gz VNLGLEIKGAGLDV-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCCC(C)(C)C ZINC000300935881 173369070 /nfs/dbraw/zinc/36/90/70/173369070.db2.gz VNLGLEIKGAGLDV-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1C ZINC000133077901 173369265 /nfs/dbraw/zinc/36/92/65/173369265.db2.gz RKEHLRAHFAPZAG-HNNXBMFYSA-N 2 1 232.371 2.487 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1cccc(C)c1C ZINC000133077901 173369267 /nfs/dbraw/zinc/36/92/67/173369267.db2.gz RKEHLRAHFAPZAG-HNNXBMFYSA-N 2 1 232.371 2.487 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC000011891897 173370828 /nfs/dbraw/zinc/37/08/28/173370828.db2.gz INFDTSFOQHMDRF-ZDUSSCGKSA-N 2 1 218.344 2.036 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000251228811 173371161 /nfs/dbraw/zinc/37/11/61/173371161.db2.gz ASPAPIKUNPVDNO-NEPJUHHUSA-N 2 1 236.334 2.428 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000251228811 173371163 /nfs/dbraw/zinc/37/11/63/173371163.db2.gz ASPAPIKUNPVDNO-NEPJUHHUSA-N 2 1 236.334 2.428 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000011888668 173378504 /nfs/dbraw/zinc/37/85/04/173378504.db2.gz GISPBXMQNUTCCD-LLVKDONJSA-N 2 1 224.373 2.180 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000011888668 173378506 /nfs/dbraw/zinc/37/85/06/173378506.db2.gz GISPBXMQNUTCCD-LLVKDONJSA-N 2 1 224.373 2.180 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000011888704 173378686 /nfs/dbraw/zinc/37/86/86/173378686.db2.gz GQFMWUDJPLSKEB-CYBMUJFWSA-N 2 1 236.334 2.257 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000011888704 173378688 /nfs/dbraw/zinc/37/86/88/173378688.db2.gz GQFMWUDJPLSKEB-CYBMUJFWSA-N 2 1 236.334 2.257 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000040592086 173379144 /nfs/dbraw/zinc/37/91/44/173379144.db2.gz LHXUCJDWVYSDEG-QWHCGFSZSA-N 2 1 233.359 2.074 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC000040592086 173379145 /nfs/dbraw/zinc/37/91/45/173379145.db2.gz LHXUCJDWVYSDEG-QWHCGFSZSA-N 2 1 233.359 2.074 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(C)sc2C)C1 ZINC000070798764 173381278 /nfs/dbraw/zinc/38/12/78/173381278.db2.gz MJNQEDSYKDMNMV-GFCCVEGCSA-N 2 1 238.400 2.406 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC000053032161 173381335 /nfs/dbraw/zinc/38/13/35/173381335.db2.gz DIMMXLIUXHJEDD-VXGBXAGGSA-N 2 1 236.334 2.428 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC000053032161 173381337 /nfs/dbraw/zinc/38/13/37/173381337.db2.gz DIMMXLIUXHJEDD-VXGBXAGGSA-N 2 1 236.334 2.428 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c(C)cccc2C)C1 ZINC000130888976 173382116 /nfs/dbraw/zinc/38/21/16/173382116.db2.gz IXLWMDCLZLETNO-CQSZACIVSA-N 2 1 232.371 2.345 20 0 BEADMP COCCC[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000336723614 174263533 /nfs/dbraw/zinc/26/35/33/174263533.db2.gz ATXCKOLRZOFLFB-STQMWFEESA-N 2 1 230.396 2.120 20 0 BEADMP COCCC[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000336723614 174263535 /nfs/dbraw/zinc/26/35/35/174263535.db2.gz ATXCKOLRZOFLFB-STQMWFEESA-N 2 1 230.396 2.120 20 0 BEADMP COCCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363546409 174263756 /nfs/dbraw/zinc/26/37/56/174263756.db2.gz RKZOAPLDPKJKKU-BFHYXJOUSA-N 2 1 240.391 2.018 20 0 BEADMP COCCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000359944537 174264894 /nfs/dbraw/zinc/26/48/94/174264894.db2.gz VILHCHVYAXLTLS-MELADBBJSA-N 2 1 240.391 2.018 20 0 BEADMP COCCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000359944537 174264896 /nfs/dbraw/zinc/26/48/96/174264896.db2.gz VILHCHVYAXLTLS-MELADBBJSA-N 2 1 240.391 2.018 20 0 BEADMP COCC[C@@H](C)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000045018020 174382461 /nfs/dbraw/zinc/38/24/61/174382461.db2.gz WUZOQFLHCUQLTI-CYBMUJFWSA-N 2 1 242.407 2.266 20 0 BEADMP CC(C)C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000053658204 487629631 /nfs/dbraw/zinc/62/96/31/487629631.db2.gz MQCINLQPCDKFQP-CQSZACIVSA-N 2 1 224.392 2.354 20 0 BEADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000104314170 175098874 /nfs/dbraw/zinc/09/88/74/175098874.db2.gz DJAUMOVNOBFYDK-CQSZACIVSA-N 2 1 248.370 2.399 20 0 BEADMP COc1cccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000113712681 175255307 /nfs/dbraw/zinc/25/53/07/175255307.db2.gz GWBGTVVFRTUEIP-AWEZNQCLSA-N 2 1 248.370 2.269 20 0 BEADMP COc1cccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000111695788 175259180 /nfs/dbraw/zinc/25/91/80/175259180.db2.gz GUWXPNDUXZQJOC-GXTWGEPZSA-N 2 1 248.370 2.254 20 0 BEADMP COc1cccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000037267137 175292144 /nfs/dbraw/zinc/29/21/44/175292144.db2.gz WUMXHOGGKJRSDM-LBPRGKRZSA-N 2 1 248.370 2.440 20 0 BEADMP COc1ccccc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000113712548 175325890 /nfs/dbraw/zinc/32/58/90/175325890.db2.gz ITISELDKPDOPOR-CQSZACIVSA-N 2 1 248.370 2.269 20 0 BEADMP COc1ccccc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000113712548 175325892 /nfs/dbraw/zinc/32/58/92/175325892.db2.gz ITISELDKPDOPOR-CQSZACIVSA-N 2 1 248.370 2.269 20 0 BEADMP COc1ccccc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070074262 175328112 /nfs/dbraw/zinc/32/81/12/175328112.db2.gz YDHZFMPUQMHEPK-ZDUSSCGKSA-N 2 1 248.370 2.256 20 0 BEADMP COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000132004556 175344901 /nfs/dbraw/zinc/34/49/01/175344901.db2.gz ALKKSQUCKUJSKD-CHWSQXEVSA-N 2 1 248.370 2.345 20 0 BEADMP COc1ccccc1[C@H](C)N[C@H]1C[N@H+](C)C[C@@H]1C ZINC000358408257 175351461 /nfs/dbraw/zinc/35/14/61/175351461.db2.gz SIGVEXGEKQLSCX-OBJOEFQTSA-N 2 1 248.370 2.296 20 0 BEADMP COc1ccccc1[C@H](C)N[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000358408257 175351462 /nfs/dbraw/zinc/35/14/62/175351462.db2.gz SIGVEXGEKQLSCX-OBJOEFQTSA-N 2 1 248.370 2.296 20 0 BEADMP COc1ccccc1[C@H](C)N[C@H]1C[N@H+](C)C[C@H]1C ZINC000358408254 175351660 /nfs/dbraw/zinc/35/16/60/175351660.db2.gz SIGVEXGEKQLSCX-DYEKYZERSA-N 2 1 248.370 2.296 20 0 BEADMP COc1ccccc1[C@H](C)N[C@H]1C[N@@H+](C)C[C@H]1C ZINC000358408254 175351662 /nfs/dbraw/zinc/35/16/62/175351662.db2.gz SIGVEXGEKQLSCX-DYEKYZERSA-N 2 1 248.370 2.296 20 0 BEADMP COc1ccsc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000336712866 175378987 /nfs/dbraw/zinc/37/89/87/175378987.db2.gz TXPUYGVVGZQZPU-SNVBAGLBSA-N 2 1 242.388 2.044 20 0 BEADMP C[C@@H](c1ccccc1F)[NH+]1CCC([NH3+])CC1 ZINC000020521493 176025350 /nfs/dbraw/zinc/02/53/50/176025350.db2.gz RHYTWLRXJNKCDZ-JTQLQIEISA-N 2 1 222.307 2.310 20 0 BEADMP C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169588 176027907 /nfs/dbraw/zinc/02/79/07/176027907.db2.gz WWMCKIQIONJJKV-QWHCGFSZSA-N 2 1 233.359 2.203 20 0 BEADMP C[C@@H]1CCCCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000069945351 176063640 /nfs/dbraw/zinc/06/36/40/176063640.db2.gz QIMBGJFXRMUIGM-CHWSQXEVSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000346158796 176076985 /nfs/dbraw/zinc/07/69/85/176076985.db2.gz AJRHWVIPXWLCCF-TUVASFSCSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000042856399 176077005 /nfs/dbraw/zinc/07/70/05/176077005.db2.gz RFJLHSSBKWKONS-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043327660 176078126 /nfs/dbraw/zinc/07/81/26/176078126.db2.gz QBNWHYTVCMRRRZ-JHJVBQTASA-N 2 1 210.365 2.154 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](C)CC2)CC[NH2+]1 ZINC000235311419 176099238 /nfs/dbraw/zinc/09/92/38/176099238.db2.gz IASXGRNIGYYJPC-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CCC[C@@H](CC[N@H+]2CC[C@H](C[NH3+])C2)C1 ZINC000070532675 176117012 /nfs/dbraw/zinc/11/70/12/176117012.db2.gz BNYFRJVVAAVKJT-HZSPNIEDSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@H]([NH3+])C2)C1 ZINC000070559895 176136401 /nfs/dbraw/zinc/13/64/01/176136401.db2.gz HCRQXGXLRVFCLG-UPJWGTAASA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@H]([NH3+])C2)C1 ZINC000070559895 176136402 /nfs/dbraw/zinc/13/64/02/176136402.db2.gz HCRQXGXLRVFCLG-UPJWGTAASA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1CCC[C@H](C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC000193597350 176137711 /nfs/dbraw/zinc/13/77/11/176137711.db2.gz UNPGWLMRUGPGBO-BARDWOONSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000037248673 176142976 /nfs/dbraw/zinc/14/29/76/176142976.db2.gz KAXPNNBZCDLPKH-YPMHNXCESA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3[nH]cnc3C2)C1 ZINC000353241199 176145244 /nfs/dbraw/zinc/14/52/44/176145244.db2.gz LHTIRYWHWREZMT-WOPDTQHZSA-N 2 1 233.359 2.435 20 0 BEADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)[C@@H]1C ZINC000245603554 176170465 /nfs/dbraw/zinc/17/04/65/176170465.db2.gz JLVCENIRZQBVIT-JHJVBQTASA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)[C@@H]1C ZINC000245603554 176170466 /nfs/dbraw/zinc/17/04/66/176170466.db2.gz JLVCENIRZQBVIT-JHJVBQTASA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)[C@@H]1C ZINC000245603554 176170467 /nfs/dbraw/zinc/17/04/67/176170467.db2.gz JLVCENIRZQBVIT-JHJVBQTASA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000333233304 176185081 /nfs/dbraw/zinc/18/50/81/176185081.db2.gz CMBMBPCCUGIBCH-MFKMUULPSA-N 2 1 249.358 2.030 20 0 BEADMP C[C@@H]1CC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000309818103 176237563 /nfs/dbraw/zinc/23/75/63/176237563.db2.gz VSPDERZCMAYJFA-MWLCHTKSSA-N 2 1 239.388 2.093 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000336749063 176271317 /nfs/dbraw/zinc/27/13/17/176271317.db2.gz TYWUWPWZQZOVME-JHJVBQTASA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000336749063 176271319 /nfs/dbraw/zinc/27/13/19/176271319.db2.gz TYWUWPWZQZOVME-JHJVBQTASA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC(C)(F)F ZINC000357719311 176278287 /nfs/dbraw/zinc/27/82/87/176278287.db2.gz ZAPRIVTYXVMETN-GMTAPVOTSA-N 2 1 234.334 2.350 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCC1(C)C ZINC000309218650 176278332 /nfs/dbraw/zinc/27/83/32/176278332.db2.gz PYWUDQVXWOJGAQ-FVCCEPFGSA-N 2 1 224.392 2.493 20 0 BEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000340525357 176279340 /nfs/dbraw/zinc/27/93/40/176279340.db2.gz GWPMVDISSALGBP-LBELIVKGSA-N 2 1 228.355 2.195 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000340525357 176279341 /nfs/dbraw/zinc/27/93/41/176279341.db2.gz GWPMVDISSALGBP-LBELIVKGSA-N 2 1 228.355 2.195 20 0 BEADMP C[C@@H]1C[N@@H+](CCCc2ccccc2)CC[C@@H]1[NH3+] ZINC000049713011 176290071 /nfs/dbraw/zinc/29/00/71/176290071.db2.gz DRNWZLBWEXEPDR-HIFRSBDPSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@@H]1C[N@H+](CCCCOc2ccccc2)C[C@@H]1[NH3+] ZINC000340680277 176290166 /nfs/dbraw/zinc/29/01/66/176290166.db2.gz PAAWNJFCOBLONS-HIFRSBDPSA-N 2 1 248.370 2.125 20 0 BEADMP C[C@@H]1C[N@@H+](CCCCOc2ccccc2)C[C@@H]1[NH3+] ZINC000340680277 176290168 /nfs/dbraw/zinc/29/01/68/176290168.db2.gz PAAWNJFCOBLONS-HIFRSBDPSA-N 2 1 248.370 2.125 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CCSC(C)(C)C2)CC[NH2+]1 ZINC000235381948 176369467 /nfs/dbraw/zinc/36/94/67/176369467.db2.gz SIMNHEALXOFQPG-NEPJUHHUSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1cccs1 ZINC000049712299 176371251 /nfs/dbraw/zinc/37/12/51/176371251.db2.gz DDKJDMUDZFHXEL-MNOVXSKESA-N 2 1 224.373 2.102 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC1CCCCC1 ZINC000049710733 176371317 /nfs/dbraw/zinc/37/13/17/176371317.db2.gz NFMMOBFVRUZEOH-YPMHNXCESA-N 2 1 210.365 2.378 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC2CCSCC2)CC[N@H+]1C ZINC000133658320 176375415 /nfs/dbraw/zinc/37/54/15/176375415.db2.gz HSGPWRDXQASNIR-YPMHNXCESA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC23CCC3)CC[N@@H+]1C ZINC000336742860 176379255 /nfs/dbraw/zinc/37/92/55/176379255.db2.gz ORCZDNJNZWHDPL-FRRDWIJNSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC23CCC3)CC[N@H+]1C ZINC000336742860 176379256 /nfs/dbraw/zinc/37/92/56/176379256.db2.gz ORCZDNJNZWHDPL-FRRDWIJNSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+]CC1([NH+](C)C)CCCC1 ZINC000336772726 176395982 /nfs/dbraw/zinc/39/59/82/176395982.db2.gz YHLMYGCNVJPHIX-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP CCCC[C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000383513568 487633884 /nfs/dbraw/zinc/63/38/84/487633884.db2.gz HDZSMWPBCNYFDS-KBPBESRZSA-N 2 1 244.423 2.198 20 0 BEADMP CCCC[C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000383513568 487633886 /nfs/dbraw/zinc/63/38/86/487633886.db2.gz HDZSMWPBCNYFDS-KBPBESRZSA-N 2 1 244.423 2.198 20 0 BEADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224200922 177034258 /nfs/dbraw/zinc/03/42/58/177034258.db2.gz VVTQYIZTDJMBKI-ZJUUUORDSA-N 2 1 240.297 2.306 20 0 BEADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224200922 177034260 /nfs/dbraw/zinc/03/42/60/177034260.db2.gz VVTQYIZTDJMBKI-ZJUUUORDSA-N 2 1 240.297 2.306 20 0 BEADMP C[C@H](c1ccccc1F)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000049530941 177041985 /nfs/dbraw/zinc/04/19/85/177041985.db2.gz DCZNYNSJWHXWJD-GHMZBOCLSA-N 2 1 222.307 2.167 20 0 BEADMP C[C@H](c1cccnc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226326739 177044676 /nfs/dbraw/zinc/04/46/76/177044676.db2.gz GDEORWNAMOOVFX-OLZOCXBDSA-N 2 1 233.359 2.203 20 0 BEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCOCC1 ZINC000036303944 177075546 /nfs/dbraw/zinc/07/55/46/177075546.db2.gz ZASZWSQBCTXXJW-ZDUSSCGKSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C[NH3+] ZINC000069726025 177102448 /nfs/dbraw/zinc/10/24/48/177102448.db2.gz CLPKYWAHLPJTMT-GXTWGEPZSA-N 2 1 218.344 2.246 20 0 BEADMP C[C@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C[NH3+] ZINC000069726025 177102449 /nfs/dbraw/zinc/10/24/49/177102449.db2.gz CLPKYWAHLPJTMT-GXTWGEPZSA-N 2 1 218.344 2.246 20 0 BEADMP C[C@H]1CCC[C@@H](C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000193597396 177119319 /nfs/dbraw/zinc/11/93/19/177119319.db2.gz UNPGWLMRUGPGBO-LJISPDSOSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@H]1CCC[C@@H](C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC000193597396 177119320 /nfs/dbraw/zinc/11/93/20/177119320.db2.gz UNPGWLMRUGPGBO-LJISPDSOSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@H]1CCC[C@@H](C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC000193597396 177119321 /nfs/dbraw/zinc/11/93/21/177119321.db2.gz UNPGWLMRUGPGBO-LJISPDSOSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@H]1CC[N@@H+](Cc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000163472776 177164966 /nfs/dbraw/zinc/16/49/66/177164966.db2.gz WCKKLOUOPSZFKP-AAEUAGOBSA-N 2 1 236.334 2.242 20 0 BEADMP C[C@H]1CC[C@@H]1[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000309749750 177195685 /nfs/dbraw/zinc/19/56/85/177195685.db2.gz GJXIWEMLJXENQK-JQWIXIFHSA-N 2 1 219.332 2.036 20 0 BEADMP C[C@H]1CC[C@H](C)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000084048134 177198492 /nfs/dbraw/zinc/19/84/92/177198492.db2.gz RNWBTYAMEAKDKT-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000235677098 177313073 /nfs/dbraw/zinc/31/30/73/177313073.db2.gz TYIMXBXKLXKSEE-RFQIPJPRSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@H+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC000026515079 177313573 /nfs/dbraw/zinc/31/35/73/177313573.db2.gz DFIGHHKRSRRDCH-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1C[C@@H](C[N@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC000235743879 177324516 /nfs/dbraw/zinc/32/45/16/177324516.db2.gz HNOUVSUKFPDUMS-KBPBESRZSA-N 2 1 244.382 2.433 20 0 BEADMP C[C@H]1C[C@@H](N(C)Cc2cccc(O)c2)CC[N@H+]1C ZINC000093644764 177327926 /nfs/dbraw/zinc/32/79/26/177327926.db2.gz XOWUZAYHCKPZIB-JSGCOSHPSA-N 2 1 248.370 2.307 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CC2(C)CCC2)CC[N@H+]1C ZINC000181244033 177331178 /nfs/dbraw/zinc/33/11/78/177331178.db2.gz ACEFXFRSGWKDBZ-RYUDHWBXSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1C[C@@H]1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352539479 177342216 /nfs/dbraw/zinc/34/22/16/177342216.db2.gz BCUPORVVHDLWTI-GXTWGEPZSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@H]1C[C@@H]1C[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000309808051 177344978 /nfs/dbraw/zinc/34/49/78/177344978.db2.gz SRHIZQGMSAVSAM-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1C[C@@H]1C[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000309808051 177344979 /nfs/dbraw/zinc/34/49/79/177344979.db2.gz SRHIZQGMSAVSAM-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1C[C@@H]1C[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000309736801 177344986 /nfs/dbraw/zinc/34/49/86/177344986.db2.gz CNFZAJNPCGOHBF-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000226156440 177356198 /nfs/dbraw/zinc/35/61/98/177356198.db2.gz DOTSREYMHRSYNQ-XQHKEYJVSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC1CCCCC1 ZINC000049710730 177365125 /nfs/dbraw/zinc/36/51/25/177365125.db2.gz NFMMOBFVRUZEOH-WCQYABFASA-N 2 1 210.365 2.378 20 0 BEADMP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000361922420 177371202 /nfs/dbraw/zinc/37/12/02/177371202.db2.gz AAVUGKFBMYSNTL-MBNYWOFBSA-N 2 1 236.359 2.283 20 0 BEADMP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000361922420 177371204 /nfs/dbraw/zinc/37/12/04/177371204.db2.gz AAVUGKFBMYSNTL-MBNYWOFBSA-N 2 1 236.359 2.283 20 0 BEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCSC2)CC[N@@H+]1C ZINC000494935434 226271655 /nfs/dbraw/zinc/27/16/55/226271655.db2.gz JBINGDDRCVPLPM-UPJWGTAASA-N 2 1 242.432 2.154 20 0 BEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCSC2)CC[N@H+]1C ZINC000494935434 226271656 /nfs/dbraw/zinc/27/16/56/226271656.db2.gz JBINGDDRCVPLPM-UPJWGTAASA-N 2 1 242.432 2.154 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCSC2)CC[NH+]1C ZINC000494935434 226271657 /nfs/dbraw/zinc/27/16/57/226271657.db2.gz JBINGDDRCVPLPM-UPJWGTAASA-N 2 1 242.432 2.154 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCSC2)CC[NH+]1C ZINC000494935434 226271658 /nfs/dbraw/zinc/27/16/58/226271658.db2.gz JBINGDDRCVPLPM-UPJWGTAASA-N 2 1 242.432 2.154 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000495071949 226275954 /nfs/dbraw/zinc/27/59/54/226275954.db2.gz QPMZKNMGSBWTJK-HKUMRIAESA-N 2 1 235.375 2.462 20 0 BEADMP C[C@@H]([NH2+]CCc1cccc(F)c1)[C@H]1CCC[NH2+]1 ZINC000400424666 226343472 /nfs/dbraw/zinc/34/34/72/226343472.db2.gz YERMNKJXLBSPIT-BXUZGUMPSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CCC[NH2+]1 ZINC000400440970 226343768 /nfs/dbraw/zinc/34/37/68/226343768.db2.gz MIHPCQKEAXYIGY-WCQYABFASA-N 2 1 208.349 2.217 20 0 BEADMP Cc1ccccc1CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400733504 226350854 /nfs/dbraw/zinc/35/08/54/226350854.db2.gz JHWQZRGEOGTWIJ-ZFWWWQNUSA-N 2 1 232.371 2.268 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC000564826217 322933937 /nfs/dbraw/zinc/93/39/37/322933937.db2.gz FJUYEEDCKBSWRD-ZYHUDNBSSA-N 2 1 210.365 2.010 20 0 BEADMP CC[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225881777 487652543 /nfs/dbraw/zinc/65/25/43/487652543.db2.gz XSRTUPIIARLOOR-XQQFMLRXSA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@@H]1C[C@H](C)C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000399148420 262776965 /nfs/dbraw/zinc/77/69/65/262776965.db2.gz GCVIQBLCXQRYEQ-RWMBFGLXSA-N 2 1 210.365 2.106 20 0 BEADMP CCC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)OCC ZINC000527934695 262896642 /nfs/dbraw/zinc/89/66/42/262896642.db2.gz SZSVQYPRCSWBCR-HZSPNIEDSA-N 2 1 242.407 2.264 20 0 BEADMP Cc1cnccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000228658597 487702302 /nfs/dbraw/zinc/70/23/02/487702302.db2.gz JWEJWPXTRUHLJY-HUUCEWRRSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1cnccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000228658597 487702313 /nfs/dbraw/zinc/70/23/13/487702313.db2.gz JWEJWPXTRUHLJY-HUUCEWRRSA-N 2 1 245.370 2.106 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000226336196 487713654 /nfs/dbraw/zinc/71/36/54/487713654.db2.gz UQHBJLSLGSKABG-ZDUSSCGKSA-N 2 1 242.407 2.264 20 0 BEADMP CCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000249907248 487725776 /nfs/dbraw/zinc/72/57/76/487725776.db2.gz YXOKMQJJFIBUQN-CHWSQXEVSA-N 2 1 210.365 2.251 20 0 BEADMP CC(C)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250607517 487735873 /nfs/dbraw/zinc/73/58/73/487735873.db2.gz XHWZSUKNMZALAZ-QWHCGFSZSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)CC1 ZINC000251384364 487754693 /nfs/dbraw/zinc/75/46/93/487754693.db2.gz ZYULCDFUQHRBAL-KBPBESRZSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CC1(F)F ZINC000666229558 487762364 /nfs/dbraw/zinc/76/23/64/487762364.db2.gz QXOWEWJJYUELNU-JOYOIKCWSA-N 2 1 244.329 2.247 20 0 BEADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000251593348 487774434 /nfs/dbraw/zinc/77/44/34/487774434.db2.gz YAQVUKXLGVEJBT-STQMWFEESA-N 2 1 218.344 2.289 20 0 BEADMP C[C@@H](c1ccccc1F)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000251602674 487775551 /nfs/dbraw/zinc/77/55/51/487775551.db2.gz ZNDXGLFPPNXIDS-RYUDHWBXSA-N 2 1 236.334 2.428 20 0 BEADMP C[C@@H](c1ccccc1F)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000251602674 487775554 /nfs/dbraw/zinc/77/55/54/487775554.db2.gz ZNDXGLFPPNXIDS-RYUDHWBXSA-N 2 1 236.334 2.428 20 0 BEADMP C[C@H](c1ccccc1F)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000251602665 487775969 /nfs/dbraw/zinc/77/59/69/487775969.db2.gz ZNDXGLFPPNXIDS-NEPJUHHUSA-N 2 1 236.334 2.428 20 0 BEADMP C[C@H](c1ccccc1F)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000251602665 487775974 /nfs/dbraw/zinc/77/59/74/487775974.db2.gz ZNDXGLFPPNXIDS-NEPJUHHUSA-N 2 1 236.334 2.428 20 0 BEADMP CC[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675882028 487785895 /nfs/dbraw/zinc/78/58/95/487785895.db2.gz PTBLSTWCUOVZNM-GXTWGEPZSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1)C(C)(C)C ZINC000251889689 487805949 /nfs/dbraw/zinc/80/59/49/487805949.db2.gz VLHMVHRYGDRJCN-WOPDTQHZSA-N 2 1 212.381 2.338 20 0 BEADMP [NH3+]CCC[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000414701283 487818656 /nfs/dbraw/zinc/81/86/56/487818656.db2.gz GSCRTSHFEPEDAK-UHFFFAOYSA-N 2 1 240.297 2.282 20 0 BEADMP COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CCC[NH3+])c1 ZINC000414740204 487820090 /nfs/dbraw/zinc/82/00/90/487820090.db2.gz KTPNDLRVHIOJJB-IUODEOHRSA-N 2 1 248.370 2.427 20 0 BEADMP [NH3+]C[C@H]([NH2+]Cc1ccc2cnccc2c1)C1CC1 ZINC000666746642 487870913 /nfs/dbraw/zinc/87/09/13/487870913.db2.gz QKPZGKPSTOANSL-HNNXBMFYSA-N 2 1 241.338 2.062 20 0 BEADMP CC(C)([NH3+])C[NH2+]Cc1ccccc1C1CC1 ZINC000666751879 487872157 /nfs/dbraw/zinc/87/21/57/487872157.db2.gz QRVKLISVRCEGHS-UHFFFAOYSA-N 2 1 218.344 2.391 20 0 BEADMP Clc1cscc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000666764384 487874584 /nfs/dbraw/zinc/87/45/84/487874584.db2.gz CLTRCXPXGXCXDU-SECBINFHSA-N 2 1 244.791 2.491 20 0 BEADMP c1cc2cnccc2c(C[NH2+][C@@H]2CCCNC2)c1 ZINC000666814197 487884574 /nfs/dbraw/zinc/88/45/74/487884574.db2.gz XZSBFELPCLGTIW-CQSZACIVSA-N 2 1 241.338 2.076 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)nc1 ZINC000666996958 487903533 /nfs/dbraw/zinc/90/35/33/487903533.db2.gz NTXUWDLRDUIYOJ-CYBMUJFWSA-N 2 1 245.370 2.154 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc2cnccc2c1 ZINC000666931725 487907006 /nfs/dbraw/zinc/90/70/06/487907006.db2.gz PEYDWNZATICNNG-QWRGUYRKSA-N 2 1 229.327 2.060 20 0 BEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC000666930295 487907711 /nfs/dbraw/zinc/90/77/11/487907711.db2.gz XOWHVBIZEXKWFP-GHMZBOCLSA-N 2 1 218.344 2.389 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CCCO2)[C@H]1CC[NH3+] ZINC000404296871 487916451 /nfs/dbraw/zinc/91/64/51/487916451.db2.gz OBYNMRCZALQCJE-MCIONIFRSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H](Cc1ccsc1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000235130157 487924645 /nfs/dbraw/zinc/92/46/45/487924645.db2.gz TVEAZFYCWFVUOJ-WCQYABFASA-N 2 1 238.400 2.411 20 0 BEADMP Cc1cc(N[C@H]2CC[N@H+](C3CC3)C2)cc[nH+]1 ZINC000229565612 487926429 /nfs/dbraw/zinc/92/64/29/487926429.db2.gz KTVLTKFJAKNMJO-LBPRGKRZSA-N 2 1 217.316 2.039 20 0 BEADMP FC1(F)C[C@]12CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000652364479 487934029 /nfs/dbraw/zinc/93/40/29/487934029.db2.gz SQAYIKROTAFWTH-RYUDHWBXSA-N 2 1 244.329 2.107 20 0 BEADMP FC1(F)C[C@@]12CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000652364478 487934151 /nfs/dbraw/zinc/93/41/51/487934151.db2.gz SQAYIKROTAFWTH-NWDGAFQWSA-N 2 1 244.329 2.107 20 0 BEADMP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000667060697 487935739 /nfs/dbraw/zinc/93/57/39/487935739.db2.gz BXDVMNXYPZHEEI-CYBMUJFWSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000667060697 487935742 /nfs/dbraw/zinc/93/57/42/487935742.db2.gz BXDVMNXYPZHEEI-CYBMUJFWSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C1CCCC1 ZINC000235222932 487936373 /nfs/dbraw/zinc/93/63/73/487936373.db2.gz RELPJFBLZSPPMI-YPMHNXCESA-N 2 1 210.365 2.297 20 0 BEADMP CCc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)cc[nH+]1 ZINC000307767733 487945077 /nfs/dbraw/zinc/94/50/77/487945077.db2.gz IIHYXTUWSNEOOR-CYBMUJFWSA-N 2 1 231.343 2.293 20 0 BEADMP COCC[NH+]1CCC([NH2+][C@H](C)C(C)(C)C)CC1 ZINC000569610793 322972769 /nfs/dbraw/zinc/97/27/69/322972769.db2.gz DAWZHHBSMYTLIG-GFCCVEGCSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C2CC2)C1 ZINC000247401206 323012982 /nfs/dbraw/zinc/01/29/82/323012982.db2.gz XHSPPKIHNBZQIZ-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP C1CC1[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000408510148 323047106 /nfs/dbraw/zinc/04/71/06/323047106.db2.gz GOXAHRRFPZTWFQ-NILFDRSVSA-N 2 1 234.387 2.391 20 0 BEADMP C([NH2+][C@H]1CCC[C@H]2C[C@H]21)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000408510478 323047135 /nfs/dbraw/zinc/04/71/35/323047135.db2.gz PVMWLGVKMFPXLZ-VIRABCJISA-N 2 1 234.387 2.249 20 0 BEADMP CCC1(C[N@@H+](C)CCC[NH+](C)C)CCOCC1 ZINC000570008747 323047405 /nfs/dbraw/zinc/04/74/05/323047405.db2.gz HKBONWAXKUNFCB-UHFFFAOYSA-N 2 1 242.407 2.077 20 0 BEADMP CC(C)[C@H]([NH2+]C1CC[NH+](C)CC1)C1CC1 ZINC000161518023 323049005 /nfs/dbraw/zinc/04/90/05/323049005.db2.gz CIYCWVWEDGUTDA-ZDUSSCGKSA-N 2 1 210.365 2.105 20 0 BEADMP CC[C@H]1CCC[C@H](C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000394504321 323075082 /nfs/dbraw/zinc/07/50/82/323075082.db2.gz DTMIYRKYWPGLMF-XQLPTFJDSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@H]1CCC[C@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000394504321 323075083 /nfs/dbraw/zinc/07/50/83/323075083.db2.gz DTMIYRKYWPGLMF-XQLPTFJDSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000536541731 323077309 /nfs/dbraw/zinc/07/73/09/323077309.db2.gz QMTQHOFMGVBTGA-ZIAGYGMSSA-N 2 1 224.392 2.450 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCc2ccccc21 ZINC000401832017 323127771 /nfs/dbraw/zinc/12/77/71/323127771.db2.gz JWDXVMDNXBIELT-HNNXBMFYSA-N 2 1 241.338 2.240 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CCc2c[nH+]cn2C)C[C@@H]1C ZINC000401879743 323128708 /nfs/dbraw/zinc/12/87/08/323128708.db2.gz PSEMNHYWANWNAD-AGIUHOORSA-N 2 1 235.375 2.377 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000531940795 323155940 /nfs/dbraw/zinc/15/59/40/323155940.db2.gz MRBLERYZRSCBKY-YPMHNXCESA-N 2 1 236.359 2.203 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000252774307 323174477 /nfs/dbraw/zinc/17/44/77/323174477.db2.gz JRARVLLLAJZYFS-JSGCOSHPSA-N 2 1 248.370 2.173 20 0 BEADMP C[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043327661 323273363 /nfs/dbraw/zinc/27/33/63/323273363.db2.gz QBNWHYTVCMRRRZ-YNEHKIRRSA-N 2 1 210.365 2.154 20 0 BEADMP CCCC[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000309187070 323325326 /nfs/dbraw/zinc/32/53/26/323325326.db2.gz PABHYPRJNZUPGR-NSHDSACASA-N 2 1 209.337 2.131 20 0 BEADMP C[C@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@H]1C[C@H]1C ZINC000321658978 323387088 /nfs/dbraw/zinc/38/70/88/323387088.db2.gz WLQOZNQGDAARGU-DYEKYZERSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@H]1C[C@H]1C ZINC000321658978 323387093 /nfs/dbraw/zinc/38/70/93/323387093.db2.gz WLQOZNQGDAARGU-DYEKYZERSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@H]1C[C@H]1C ZINC000321658977 323387333 /nfs/dbraw/zinc/38/73/33/323387333.db2.gz WLQOZNQGDAARGU-BZPMIXESSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@H]1C[C@H]1C ZINC000321658977 323387336 /nfs/dbraw/zinc/38/73/36/323387336.db2.gz WLQOZNQGDAARGU-BZPMIXESSA-N 2 1 224.392 2.495 20 0 BEADMP CC[N@H+](CCCc1c[nH+]cn1C)Cc1ccoc1 ZINC000653535799 487960520 /nfs/dbraw/zinc/96/05/20/487960520.db2.gz DLPASVNFOYTGHP-UHFFFAOYSA-N 2 1 247.342 2.468 20 0 BEADMP CC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccoc1 ZINC000653535799 487960526 /nfs/dbraw/zinc/96/05/26/487960526.db2.gz DLPASVNFOYTGHP-UHFFFAOYSA-N 2 1 247.342 2.468 20 0 BEADMP CCC1(C[NH2+]C2CC[NH+](C)CC2)CCC1 ZINC000122718489 324054176 /nfs/dbraw/zinc/05/41/76/324054176.db2.gz XJLYYTKODCYHNP-UHFFFAOYSA-N 2 1 210.365 2.251 20 0 BEADMP CCCCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397339382 324213330 /nfs/dbraw/zinc/21/33/30/324213330.db2.gz VBHNJPVWBHBDFS-AGIUHOORSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]1CC=CCC1 ZINC000530221846 324539021 /nfs/dbraw/zinc/53/90/21/324539021.db2.gz YPLWBVOGJIRORB-MCIONIFRSA-N 2 1 222.376 2.320 20 0 BEADMP C[C@@H](Cc1ccsc1)[NH2+]CCc1c[nH+]cn1C ZINC000530354957 324585581 /nfs/dbraw/zinc/58/55/81/324585581.db2.gz LTNRSOUCWUNJQJ-NSHDSACASA-N 2 1 249.383 2.245 20 0 BEADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000132429015 325216306 /nfs/dbraw/zinc/21/63/06/325216306.db2.gz PKIHKCWZYWMVAU-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@H](C)CC[N@@H+](CCn2ccnc2)C1 ZINC000133353002 325289612 /nfs/dbraw/zinc/28/96/12/325289612.db2.gz VMXUQCHFZZOJAC-CHWSQXEVSA-N 2 1 221.348 2.251 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CCC1 ZINC000133404563 325293953 /nfs/dbraw/zinc/29/39/53/325293953.db2.gz ZRLRJUMLAAGYPE-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[C@@H](C)[NH+]1CC[C@H]1CCCC[N@H+]1C ZINC000547769859 325395111 /nfs/dbraw/zinc/39/51/11/325395111.db2.gz UQGAMNQTQFQKPM-JHJVBQTASA-N 2 1 210.365 2.344 20 0 BEADMP CC[N@H+](CC[NH3+])[C@@H]1CCCc2ccccc21 ZINC000115307157 487967519 /nfs/dbraw/zinc/96/75/19/487967519.db2.gz LGNANIOUQPKEKX-CQSZACIVSA-N 2 1 218.344 2.345 20 0 BEADMP CC[N@@H+](CC[NH3+])[C@@H]1CCCc2ccccc21 ZINC000115307157 487967523 /nfs/dbraw/zinc/96/75/23/487967523.db2.gz LGNANIOUQPKEKX-CQSZACIVSA-N 2 1 218.344 2.345 20 0 BEADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCC[NH+]1CCC1 ZINC000565215470 325876933 /nfs/dbraw/zinc/87/69/33/325876933.db2.gz KDDYBNANGKEKQL-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000566226559 326018547 /nfs/dbraw/zinc/01/85/47/326018547.db2.gz ZBEDVDNWUYPQLE-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000566226559 326018548 /nfs/dbraw/zinc/01/85/48/326018548.db2.gz ZBEDVDNWUYPQLE-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CCc1cccc(C[NH2+]C2CC[NH+](C)CC2)c1 ZINC000566336282 326035132 /nfs/dbraw/zinc/03/51/32/326035132.db2.gz YQIZIEGGUICIFA-UHFFFAOYSA-N 2 1 232.371 2.433 20 0 BEADMP CCC[NH2+]CC[NH2+][C@@H](C)Cc1ccsc1 ZINC000567141968 326123470 /nfs/dbraw/zinc/12/34/70/326123470.db2.gz QNQYZSDORLWEAU-NSHDSACASA-N 2 1 226.389 2.268 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000309987667 326177954 /nfs/dbraw/zinc/17/79/54/326177954.db2.gz ZEXSSEKPTANXGG-XBFCOCLRSA-N 2 1 222.376 2.106 20 0 BEADMP C[NH+](CCCC[N@H+](C)CC1CC1)CC1CC1 ZINC000157599971 326285792 /nfs/dbraw/zinc/28/57/92/326285792.db2.gz FRBGMJQZXSKKAX-UHFFFAOYSA-N 2 1 224.392 2.450 20 0 BEADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000568617236 326367954 /nfs/dbraw/zinc/36/79/54/326367954.db2.gz ZAESBTNCVMZEQO-NSHDSACASA-N 2 1 239.338 2.259 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000568949926 326383116 /nfs/dbraw/zinc/38/31/16/326383116.db2.gz ULDIXMVQUGOABV-WDNDVIMCSA-N 2 1 242.407 2.264 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000568949926 326383118 /nfs/dbraw/zinc/38/31/18/326383118.db2.gz ULDIXMVQUGOABV-WDNDVIMCSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@H]1C[C@@H](C[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000569290962 326398936 /nfs/dbraw/zinc/39/89/36/326398936.db2.gz OEGNOKNKBPXYDT-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C1CCCC1 ZINC000235523617 487976821 /nfs/dbraw/zinc/97/68/21/487976821.db2.gz RELPJFBLZSPPMI-AAEUAGOBSA-N 2 1 210.365 2.297 20 0 BEADMP C1=C(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000401027256 488000310 /nfs/dbraw/zinc/00/03/10/488000310.db2.gz KOZRYILJPMTYTG-ZIAGYGMSSA-N 2 1 220.360 2.313 20 0 BEADMP [NH3+]CC[C@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000238562560 488007290 /nfs/dbraw/zinc/00/72/90/488007290.db2.gz IKEHDXSQHSBQMJ-CYBMUJFWSA-N 2 1 208.349 2.013 20 0 BEADMP CCC[N@@H+](CC(C)C)C[C@H](O)C[NH+](C)C(C)C ZINC000310437650 488023349 /nfs/dbraw/zinc/02/33/49/488023349.db2.gz UZBDBGQYMKXCLN-CQSZACIVSA-N 2 1 244.423 2.056 20 0 BEADMP CCC[NH+](CC(C)C)C[C@H](O)C[N@H+](C)C(C)C ZINC000310437650 488023354 /nfs/dbraw/zinc/02/33/54/488023354.db2.gz UZBDBGQYMKXCLN-CQSZACIVSA-N 2 1 244.423 2.056 20 0 BEADMP CCC[NH+](CC(C)C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000310437650 488023356 /nfs/dbraw/zinc/02/33/56/488023356.db2.gz UZBDBGQYMKXCLN-CQSZACIVSA-N 2 1 244.423 2.056 20 0 BEADMP CC[C@H]1CCC[N@H+]1Cc1cnc2n1CCC2 ZINC000667545126 488041312 /nfs/dbraw/zinc/04/13/12/488041312.db2.gz YCDMJJGIEOAJFM-NSHDSACASA-N 2 1 219.332 2.204 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000663509736 488055283 /nfs/dbraw/zinc/05/52/83/488055283.db2.gz ACXOMDMBAMVOET-QWHCGFSZSA-N 2 1 220.360 2.378 20 0 BEADMP C[N@H+]1CC[C@H](NCc2ccccn2)CC1(C)C ZINC000084519280 488057036 /nfs/dbraw/zinc/05/70/36/488057036.db2.gz FXNAWHPZCGDJFC-LBPRGKRZSA-N 2 1 233.359 2.044 20 0 BEADMP Cc1ncc(C[N@H+]2CCC3(CCC3)C2)n1C ZINC000667644277 488067690 /nfs/dbraw/zinc/06/76/90/488067690.db2.gz CKVSEWOCFZEHAW-UHFFFAOYSA-N 2 1 219.332 2.105 20 0 BEADMP Cc1ncc(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)n1C ZINC000667649645 488072970 /nfs/dbraw/zinc/07/29/70/488072970.db2.gz ZPDPZCTXZTZVPH-GHMZBOCLSA-N 2 1 221.348 2.206 20 0 BEADMP Cc1cc[nH+]c(N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000257655138 488077271 /nfs/dbraw/zinc/07/72/71/488077271.db2.gz PHDBQNQYVLYBBK-WDEREUQCSA-N 2 1 205.305 2.072 20 0 BEADMP c1csc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000257699611 488082474 /nfs/dbraw/zinc/08/24/74/488082474.db2.gz PSFVQROPKBHESG-ZDUSSCGKSA-N 2 1 236.384 2.324 20 0 BEADMP Cc1ccnc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000683010003 488089811 /nfs/dbraw/zinc/08/98/11/488089811.db2.gz BEOOTMXSNPJAFD-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP Cc1ccnc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000683010619 488090666 /nfs/dbraw/zinc/09/06/66/488090666.db2.gz CIFDNNGOQCENOW-ZFWWWQNUSA-N 2 1 247.386 2.305 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000378960181 488114175 /nfs/dbraw/zinc/11/41/75/488114175.db2.gz POGJRQPEEFMITM-XGUBFFRZSA-N 2 1 236.403 2.495 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](CC)C[C@H]1CCOC1 ZINC000683140699 488117627 /nfs/dbraw/zinc/11/76/27/488117627.db2.gz BQUCLAXTIKJGIF-CQSZACIVSA-N 2 1 242.407 2.077 20 0 BEADMP CCO[C@@H]1CCC[N@H+](CCC[NH+](CC)CC)C1 ZINC000683140633 488118403 /nfs/dbraw/zinc/11/84/03/488118403.db2.gz DKBWBOAYWUZIQU-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP CCO[C@@H]1CCC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000683140633 488118406 /nfs/dbraw/zinc/11/84/06/488118406.db2.gz DKBWBOAYWUZIQU-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC000403519770 488125214 /nfs/dbraw/zinc/12/52/14/488125214.db2.gz KQDUDFIGLPHXTF-LEOABGAYSA-N 2 1 248.414 2.483 20 0 BEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403587555 488127264 /nfs/dbraw/zinc/12/72/64/488127264.db2.gz DEYRIVUXDOZATR-XGFWRYKXSA-N 2 1 222.376 2.092 20 0 BEADMP c1ccc(C2CC2)c(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000094528190 487538185 /nfs/dbraw/zinc/53/81/85/487538185.db2.gz KXFNSXKALOAHCR-UHFFFAOYSA-N 2 1 230.355 2.359 20 0 BEADMP c1ccc(C2CC2)c(C[N@H+]2CCC[NH2+]CC2)c1 ZINC000094528190 487538189 /nfs/dbraw/zinc/53/81/89/487538189.db2.gz KXFNSXKALOAHCR-UHFFFAOYSA-N 2 1 230.355 2.359 20 0 BEADMP CCc1ccc(CC[N@H+](C)CC(C)(C)[NH3+])cc1 ZINC000258803740 488136392 /nfs/dbraw/zinc/13/63/92/488136392.db2.gz KHKYBLYSAYLGTO-UHFFFAOYSA-N 2 1 234.387 2.461 20 0 BEADMP CCc1ccc(CC[N@@H+](C)CC(C)(C)[NH3+])cc1 ZINC000258803740 488136397 /nfs/dbraw/zinc/13/63/97/488136397.db2.gz KHKYBLYSAYLGTO-UHFFFAOYSA-N 2 1 234.387 2.461 20 0 BEADMP C[N@@H+](CCC(C)(C)C)CC1CC[NH2+]CC1 ZINC000086701759 487533227 /nfs/dbraw/zinc/53/32/27/487533227.db2.gz FWTNCHUPFRZDJH-UHFFFAOYSA-N 2 1 212.381 2.354 20 0 BEADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@H]1C[C@@H]1C ZINC000668747297 487473376 /nfs/dbraw/zinc/47/33/76/487473376.db2.gz GBKZHNGHANRMFG-NWDGAFQWSA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@H]1C[C@@H]1C ZINC000668747297 487473378 /nfs/dbraw/zinc/47/33/78/487473378.db2.gz GBKZHNGHANRMFG-NWDGAFQWSA-N 2 1 212.381 2.352 20 0 BEADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000062051165 487491851 /nfs/dbraw/zinc/49/18/51/487491851.db2.gz YFZPXEUPWVWNDO-GOOCMWNKSA-N 2 1 245.370 2.105 20 0 BEADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000062051165 487491854 /nfs/dbraw/zinc/49/18/54/487491854.db2.gz YFZPXEUPWVWNDO-GOOCMWNKSA-N 2 1 245.370 2.105 20 0 BEADMP CC(C)(CC[N@H+]1CC[C@](C)(C[NH3+])C1)C1CC1 ZINC000406064256 487498941 /nfs/dbraw/zinc/49/89/41/487498941.db2.gz NWTVQUHVRJONAJ-CQSZACIVSA-N 2 1 224.392 2.483 20 0 BEADMP CC(C)(CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)C1CC1 ZINC000406061572 487499051 /nfs/dbraw/zinc/49/90/51/487499051.db2.gz MTUCMTCYLGWUTJ-TZMCWYRMSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)(CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)C1CC1 ZINC000406061572 487499056 /nfs/dbraw/zinc/49/90/56/487499056.db2.gz MTUCMTCYLGWUTJ-TZMCWYRMSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304506299 487508399 /nfs/dbraw/zinc/50/83/99/487508399.db2.gz CZMQAOFYGGDZAA-FQUUOJAGSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304506299 487508404 /nfs/dbraw/zinc/50/84/04/487508404.db2.gz CZMQAOFYGGDZAA-FQUUOJAGSA-N 2 1 224.392 2.495 20 0 BEADMP c1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cs1 ZINC000334427858 487514426 /nfs/dbraw/zinc/51/44/26/487514426.db2.gz XOHXEEGKNIPHJS-ZDUSSCGKSA-N 2 1 236.384 2.324 20 0 BEADMP c1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cs1 ZINC000334427858 487514433 /nfs/dbraw/zinc/51/44/33/487514433.db2.gz XOHXEEGKNIPHJS-ZDUSSCGKSA-N 2 1 236.384 2.324 20 0 BEADMP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc(C)[nH+]1 ZINC000295963443 487516673 /nfs/dbraw/zinc/51/66/73/487516673.db2.gz JRDZJCFYCCJZMH-YHWZYXNKSA-N 2 1 246.358 2.131 20 0 BEADMP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(C)[nH+]1 ZINC000295963443 487516676 /nfs/dbraw/zinc/51/66/76/487516676.db2.gz JRDZJCFYCCJZMH-YHWZYXNKSA-N 2 1 246.358 2.131 20 0 BEADMP c1cc2cc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)ccc2o1 ZINC000685420854 487519798 /nfs/dbraw/zinc/51/97/98/487519798.db2.gz SNDVWOWSYAKYFH-OKILXGFUSA-N 2 1 242.322 2.084 20 0 BEADMP c1cc2cc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)ccc2o1 ZINC000685420854 487519799 /nfs/dbraw/zinc/51/97/99/487519799.db2.gz SNDVWOWSYAKYFH-OKILXGFUSA-N 2 1 242.322 2.084 20 0 BEADMP c1cc2cc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)ccc2o1 ZINC000685420853 487520079 /nfs/dbraw/zinc/52/00/79/487520079.db2.gz SNDVWOWSYAKYFH-KBPBESRZSA-N 2 1 242.322 2.084 20 0 BEADMP C[C@@H](c1ccncc1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086637509 487523506 /nfs/dbraw/zinc/52/35/06/487523506.db2.gz CEXSMVLFFDEUHB-NSHDSACASA-N 2 1 221.348 2.059 20 0 BEADMP C[N@@H+](Cc1ccsc1)C[C@@H]1CCC[NH2+]C1 ZINC000021948895 488150360 /nfs/dbraw/zinc/15/03/60/488150360.db2.gz SWJPIRANBCVVOW-LLVKDONJSA-N 2 1 224.373 2.180 20 0 BEADMP C[N@H+](Cc1ccsc1)C[C@@H]1CCC[NH2+]C1 ZINC000021948895 488150363 /nfs/dbraw/zinc/15/03/63/488150363.db2.gz SWJPIRANBCVVOW-LLVKDONJSA-N 2 1 224.373 2.180 20 0 BEADMP CCc1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000258795543 488136130 /nfs/dbraw/zinc/13/61/30/488136130.db2.gz CLKWJFXCOBBGDO-OAHLLOKOSA-N 2 1 232.371 2.290 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC1CCC1 ZINC000398612561 488220536 /nfs/dbraw/zinc/22/05/36/488220536.db2.gz AUBGHZQWBKBMIS-ZDUSSCGKSA-N 2 1 212.381 2.482 20 0 BEADMP CCC1([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCOCC1 ZINC000679152025 488313592 /nfs/dbraw/zinc/31/35/92/488313592.db2.gz XPBSZAUGHZZREQ-QWHCGFSZSA-N 2 1 240.391 2.018 20 0 BEADMP CCC1([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCOCC1 ZINC000679152025 488313593 /nfs/dbraw/zinc/31/35/93/488313593.db2.gz XPBSZAUGHZZREQ-QWHCGFSZSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H](CCCCO)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000679339061 488341731 /nfs/dbraw/zinc/34/17/31/488341731.db2.gz CXCXIWVVQSBEGV-ZDUSSCGKSA-N 2 1 242.407 2.002 20 0 BEADMP C[C@@H](CCCCO)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000679339061 488341733 /nfs/dbraw/zinc/34/17/33/488341733.db2.gz CXCXIWVVQSBEGV-ZDUSSCGKSA-N 2 1 242.407 2.002 20 0 BEADMP C[N@H+](Cc1ccc(O)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000679396060 488350725 /nfs/dbraw/zinc/35/07/25/488350725.db2.gz NWAFWGCBCLJTRV-CQSZACIVSA-N 2 1 248.370 2.166 20 0 BEADMP C[NH+](Cc1ccc(O)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000679396060 488350726 /nfs/dbraw/zinc/35/07/26/488350726.db2.gz NWAFWGCBCLJTRV-CQSZACIVSA-N 2 1 248.370 2.166 20 0 BEADMP C[NH+](Cc1ccc(O)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000679396060 488350727 /nfs/dbraw/zinc/35/07/27/488350727.db2.gz NWAFWGCBCLJTRV-CQSZACIVSA-N 2 1 248.370 2.166 20 0 BEADMP CSc1ccccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000679670641 488363212 /nfs/dbraw/zinc/36/32/12/488363212.db2.gz FFUZVLJEUWHCJW-STQMWFEESA-N 2 1 248.395 2.060 20 0 BEADMP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300333416 490557172 /nfs/dbraw/zinc/55/71/72/490557172.db2.gz MJFNSLXGICIUJR-CYDGBPFRSA-N 2 1 240.416 2.097 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000300520809 490563878 /nfs/dbraw/zinc/56/38/78/490563878.db2.gz ZSPBFDKDIQHYRY-IHRRRGAJSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000300520809 490563881 /nfs/dbraw/zinc/56/38/81/490563881.db2.gz ZSPBFDKDIQHYRY-IHRRRGAJSA-N 2 1 242.407 2.264 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000300518919 490565154 /nfs/dbraw/zinc/56/51/54/490565154.db2.gz LIZMBZLMBHVOCS-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000300518919 490565157 /nfs/dbraw/zinc/56/51/57/490565157.db2.gz LIZMBZLMBHVOCS-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300802352 490569013 /nfs/dbraw/zinc/56/90/13/490569013.db2.gz DCTPNDQNNGXZQK-MNOVXSKESA-N 2 1 232.318 2.093 20 0 BEADMP Cc1ccc(F)cc1C[NH2+]CCc1c[nH+]cn1C ZINC000401792041 490586432 /nfs/dbraw/zinc/58/64/32/490586432.db2.gz XCSOLYMFJYTQKS-UHFFFAOYSA-N 2 1 247.317 2.200 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000038040964 491076423 /nfs/dbraw/zinc/07/64/23/491076423.db2.gz FYHVVKQOMHKNCP-SECBINFHSA-N 2 1 240.297 2.367 20 0 BEADMP CCCC[C@H](CC)CC[N@H+](C)CC[NH3+] ZINC000415110527 491092634 /nfs/dbraw/zinc/09/26/34/491092634.db2.gz PJPAWSOYJFIPHY-LBPRGKRZSA-N 2 1 200.370 2.483 20 0 BEADMP CCCC[C@H](CC)CC[N@@H+](C)CC[NH3+] ZINC000415110527 491092635 /nfs/dbraw/zinc/09/26/35/491092635.db2.gz PJPAWSOYJFIPHY-LBPRGKRZSA-N 2 1 200.370 2.483 20 0 BEADMP Cc1ncc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)s1 ZINC000090406296 491126044 /nfs/dbraw/zinc/12/60/44/491126044.db2.gz HCWIAQYEYVVXDS-NXEZZACHSA-N 2 1 241.404 2.442 20 0 BEADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)CC1CN(C)C1 ZINC000668538698 491127270 /nfs/dbraw/zinc/12/72/70/491127270.db2.gz AJAZHAXIQWLOSX-DZGCQCFKSA-N 2 1 236.403 2.472 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+]CC1(C)CCC1 ZINC000309010075 491142302 /nfs/dbraw/zinc/14/23/02/491142302.db2.gz WMJKFXKOZOKCJH-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CC[N@H+](CC[NH2+][C@@H]1CC[C@@H]1C1CC1)C(C)C ZINC000309501674 491150480 /nfs/dbraw/zinc/15/04/80/491150480.db2.gz ZYNAXBMKRQPXJJ-ZIAGYGMSSA-N 2 1 224.392 2.495 20 0 BEADMP CC[N@@H+](CC[NH2+][C@@H]1CC[C@@H]1C1CC1)C(C)C ZINC000309501674 491150481 /nfs/dbraw/zinc/15/04/81/491150481.db2.gz ZYNAXBMKRQPXJJ-ZIAGYGMSSA-N 2 1 224.392 2.495 20 0 BEADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000310466802 491161584 /nfs/dbraw/zinc/16/15/84/491161584.db2.gz XQQSWZJFODXXLU-MELADBBJSA-N 2 1 242.407 2.262 20 0 BEADMP CSC[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000400115408 533748829 /nfs/dbraw/zinc/74/88/29/533748829.db2.gz JDWCSERQAQQCNM-XQQFMLRXSA-N 2 1 242.432 2.202 20 0 BEADMP CCC[C@H](C)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000224886273 535610853 /nfs/dbraw/zinc/61/08/53/535610853.db2.gz GXYFGUWHCPGMAY-YNEHKIRRSA-N 2 1 212.381 2.482 20 0 BEADMP CC(C)(C)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164370261 534606123 /nfs/dbraw/zinc/60/61/23/534606123.db2.gz WWFMSKPLNWUSJC-TUAOUCFPSA-N 2 1 210.365 2.092 20 0 BEADMP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCC[C@H]2C)C1 ZINC000252219044 536375485 /nfs/dbraw/zinc/37/54/85/536375485.db2.gz YNWOKELNNHMNAQ-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@H]2C)C1 ZINC000252219044 536375489 /nfs/dbraw/zinc/37/54/89/536375489.db2.gz YNWOKELNNHMNAQ-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H](C2CC2)C1 ZINC000400333833 526328749 /nfs/dbraw/zinc/32/87/49/526328749.db2.gz KVEPUOJMWRALPV-LBPRGKRZSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H](C2CC2)C1 ZINC000400333833 526328746 /nfs/dbraw/zinc/32/87/46/526328746.db2.gz KVEPUOJMWRALPV-LBPRGKRZSA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@H]2C)C[C@H]1C ZINC000488302148 527832770 /nfs/dbraw/zinc/83/27/70/527832770.db2.gz SEQJWIANPMUGFG-MQYQWHSLSA-N 2 1 224.392 2.447 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2C[C@H]2C)C[C@H]1C ZINC000488302148 527832774 /nfs/dbraw/zinc/83/27/74/527832774.db2.gz SEQJWIANPMUGFG-MQYQWHSLSA-N 2 1 224.392 2.447 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2C[C@H]2C)C[C@H]1C ZINC000488302148 527832778 /nfs/dbraw/zinc/83/27/78/527832778.db2.gz SEQJWIANPMUGFG-MQYQWHSLSA-N 2 1 224.392 2.447 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000513105926 528236539 /nfs/dbraw/zinc/23/65/39/528236539.db2.gz DXAMGRZRLDYHGQ-MJBXVCDLSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000513105926 528236544 /nfs/dbraw/zinc/23/65/44/528236544.db2.gz DXAMGRZRLDYHGQ-MJBXVCDLSA-N 2 1 240.391 2.018 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@H]1C[C@@H]1C ZINC000309053828 528352616 /nfs/dbraw/zinc/35/26/16/528352616.db2.gz SLBRKXCRXAUKTR-YNEHKIRRSA-N 2 1 212.381 2.352 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@H]1C[C@@H]1C ZINC000309053828 528352617 /nfs/dbraw/zinc/35/26/17/528352617.db2.gz SLBRKXCRXAUKTR-YNEHKIRRSA-N 2 1 212.381 2.352 20 0 BEADMP CCC(C)(C)OCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000308715879 528592862 /nfs/dbraw/zinc/59/28/62/528592862.db2.gz BDQPBCKLVUCEBI-CHWSQXEVSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000309093354 528828449 /nfs/dbraw/zinc/82/84/49/528828449.db2.gz FSUPILAANZHNRM-TUAOUCFPSA-N 2 1 230.421 2.056 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000309093354 528828445 /nfs/dbraw/zinc/82/84/45/528828445.db2.gz FSUPILAANZHNRM-TUAOUCFPSA-N 2 1 230.421 2.056 20 0 BEADMP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccncc1 ZINC000424377408 529202759 /nfs/dbraw/zinc/20/27/59/529202759.db2.gz RDZQXDOZTGJETJ-MGPQQGTHSA-N 2 1 233.359 2.392 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCSC1 ZINC000224622099 535063094 /nfs/dbraw/zinc/06/30/94/535063094.db2.gz NAULQEGMBFCWCL-NWDGAFQWSA-N 2 1 230.421 2.045 20 0 BEADMP CC(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261785590 535140722 /nfs/dbraw/zinc/14/07/22/535140722.db2.gz PUMZHLCGZMRPCC-UONOGXRCSA-N 2 1 218.344 2.069 20 0 BEADMP CC(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261785590 535140727 /nfs/dbraw/zinc/14/07/27/535140727.db2.gz PUMZHLCGZMRPCC-UONOGXRCSA-N 2 1 218.344 2.069 20 0 BEADMP CCC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000250639922 535186201 /nfs/dbraw/zinc/18/62/01/535186201.db2.gz SSLVMFMCBUQXMV-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP CCOCC[N@@H+](CC)CC[C@@H]1CCCC[NH+]1C ZINC000351602220 535585736 /nfs/dbraw/zinc/58/57/36/535585736.db2.gz XYOIGIMTBGMTAA-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP CCOCC[NH+](CC)CC[C@@H]1CCCC[N@@H+]1C ZINC000351602220 535585741 /nfs/dbraw/zinc/58/57/41/535585741.db2.gz XYOIGIMTBGMTAA-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP CCOCC[NH+](CC)CC[C@@H]1CCCC[N@H+]1C ZINC000351602220 535585746 /nfs/dbraw/zinc/58/57/46/535585746.db2.gz XYOIGIMTBGMTAA-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC000352003397 535597409 /nfs/dbraw/zinc/59/74/09/535597409.db2.gz LUVWPEWJXQQIMA-QWHCGFSZSA-N 2 1 230.371 2.398 20 0 BEADMP CCS[C@H]1CCCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261548641 535724563 /nfs/dbraw/zinc/72/45/63/535724563.db2.gz NSKKUGNIQROTIS-NSHDSACASA-N 2 1 230.421 2.331 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C2CC(C)(F)C2)[C@@H](C)C1 ZINC000335373323 535768606 /nfs/dbraw/zinc/76/86/06/535768606.db2.gz HXQCGKVKYSFLMR-QCXCNERSSA-N 2 1 228.355 2.197 20 0 BEADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)CCC[NH3+] ZINC000227741962 535773401 /nfs/dbraw/zinc/77/34/01/535773401.db2.gz UUTKJNGQGLJZHU-AWEZNQCLSA-N 2 1 220.360 2.288 20 0 BEADMP CC[N@H+]1C[C@H](C)N(c2cc[nH+]c(C)c2)C[C@@H]1C ZINC000357701763 535781156 /nfs/dbraw/zinc/78/11/56/535781156.db2.gz XNDFOTDPSARFNU-STQMWFEESA-N 2 1 233.359 2.309 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261576257 535936492 /nfs/dbraw/zinc/93/64/92/535936492.db2.gz NOIFIPZENKZOOT-INIZCTEOSA-N 2 1 244.382 2.434 20 0 BEADMP CCc1ccccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261565578 535936821 /nfs/dbraw/zinc/93/68/21/535936821.db2.gz HSZXYQZIMWVNBK-ARFHVFGLSA-N 2 1 244.382 2.418 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000252788803 536178410 /nfs/dbraw/zinc/17/84/10/536178410.db2.gz XINJRGVYNJBMMG-SWLSCSKDSA-N 2 1 232.371 2.418 20 0 BEADMP C[NH+]1CCC([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000334387460 536343673 /nfs/dbraw/zinc/34/36/73/536343673.db2.gz PDFYKKXBOFLLES-UHFFFAOYSA-N 2 1 246.345 2.494 20 0 BEADMP CCCSC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000892612542 582929174 /nfs/dbraw/zinc/92/91/74/582929174.db2.gz ARTMWRMCVYPGGB-CHWSQXEVSA-N 2 1 244.448 2.450 20 0 BEADMP COCCC[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000178476678 536665755 /nfs/dbraw/zinc/66/57/55/536665755.db2.gz GQBGLTYJMIVWSV-LBPRGKRZSA-N 2 1 240.391 2.018 20 0 BEADMP COc1cc(C[N@@H+](C)C2CC[NH2+]CC2)ccc1C ZINC000261654157 536745544 /nfs/dbraw/zinc/74/55/44/536745544.db2.gz BFOLSFRIUCCGSG-UHFFFAOYSA-N 2 1 248.370 2.187 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC2(C)C)C1 ZINC000389388655 537995026 /nfs/dbraw/zinc/99/50/26/537995026.db2.gz UOQFGUXMWOHZBJ-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP C1CC1[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000348105221 566264512 /nfs/dbraw/zinc/26/45/12/566264512.db2.gz NZRDXFYOBDUFHW-LJISPDSOSA-N 2 1 234.387 2.391 20 0 BEADMP C1CC1[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000348105221 566264515 /nfs/dbraw/zinc/26/45/15/566264515.db2.gz NZRDXFYOBDUFHW-LJISPDSOSA-N 2 1 234.387 2.391 20 0 BEADMP C1CC1[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000348105223 566264966 /nfs/dbraw/zinc/26/49/66/566264966.db2.gz NZRDXFYOBDUFHW-XGUBFFRZSA-N 2 1 234.387 2.391 20 0 BEADMP C1CC1[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000348105223 566264971 /nfs/dbraw/zinc/26/49/71/566264971.db2.gz NZRDXFYOBDUFHW-XGUBFFRZSA-N 2 1 234.387 2.391 20 0 BEADMP C[C@@H](CC[N@@H+](C)CC1CC1)[NH+](C)CC1CC1 ZINC000431598240 566365085 /nfs/dbraw/zinc/36/50/85/566365085.db2.gz BSZUXGCKQJFZJG-LBPRGKRZSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H](CC[NH+](C)CC1CC1)[N@H+](C)CC1CC1 ZINC000431598240 566365091 /nfs/dbraw/zinc/36/50/91/566365091.db2.gz BSZUXGCKQJFZJG-LBPRGKRZSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H](CC[NH+](C)CC1CC1)[N@@H+](C)CC1CC1 ZINC000431598240 566365099 /nfs/dbraw/zinc/36/50/99/566365099.db2.gz BSZUXGCKQJFZJG-LBPRGKRZSA-N 2 1 224.392 2.449 20 0 BEADMP Cc1cc([NH2+]C2CCC([NH3+])CC2)ccc1N ZINC000853248189 588727285 /nfs/dbraw/zinc/72/72/85/588727285.db2.gz NGWAHNNWJZWFEI-UHFFFAOYSA-N 2 1 219.332 2.259 20 0 BEADMP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853240263 588728230 /nfs/dbraw/zinc/72/82/30/588728230.db2.gz OFXGKLOJWMOKPI-VHDGCEQUSA-N 2 1 236.403 2.497 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000853249610 588729059 /nfs/dbraw/zinc/72/90/59/588729059.db2.gz RWEYZLHRIJVTCT-XNWIYYODSA-N 2 1 238.297 2.305 20 0 BEADMP CCC(N)=[NH+]OC[C@@H]1CCCC[N@H+]1C(C)C ZINC000853656122 588752876 /nfs/dbraw/zinc/75/28/76/588752876.db2.gz JCFYYBOCSGMTHE-NSHDSACASA-N 2 1 227.352 2.158 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)CC1 ZINC000891820863 582726814 /nfs/dbraw/zinc/72/68/14/582726814.db2.gz CEJJCORMFZRZRM-CYBMUJFWSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CCC3(CCC3)C2)CC1 ZINC000892055850 582778016 /nfs/dbraw/zinc/77/80/16/582778016.db2.gz MKLFDNHPEHMBEL-UHFFFAOYSA-N 2 1 222.376 2.204 20 0 BEADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C[C@H]1C ZINC000892066933 582783570 /nfs/dbraw/zinc/78/35/70/582783570.db2.gz ZRLYIJGNCUPQJM-CHWSQXEVSA-N 2 1 224.392 2.306 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000892105236 582792742 /nfs/dbraw/zinc/79/27/42/582792742.db2.gz XSWFJTQSIBHGRP-NEPJUHHUSA-N 2 1 210.365 2.059 20 0 BEADMP Cc1ccc(NC(=[NH2+])NC[C@H](C)[NH+](C)C)cc1C ZINC000848996686 582821243 /nfs/dbraw/zinc/82/12/43/582821243.db2.gz PUWCFGAPYDYNCB-LBPRGKRZSA-N 2 1 248.374 2.190 20 0 BEADMP CCCSC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000892946696 583015027 /nfs/dbraw/zinc/01/50/27/583015027.db2.gz KTVTYQGNBKVFRE-STQMWFEESA-N 2 1 244.448 2.450 20 0 BEADMP CCCSC[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000893302027 583094586 /nfs/dbraw/zinc/09/45/86/583094586.db2.gz BVXODUKZXUBPNY-GFCCVEGCSA-N 2 1 242.432 2.370 20 0 BEADMP CCCSC[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000893302028 583094826 /nfs/dbraw/zinc/09/48/26/583094826.db2.gz BVXODUKZXUBPNY-LBPRGKRZSA-N 2 1 242.432 2.370 20 0 BEADMP Fc1cccc(F)c1CC[NH2+]Cc1c[nH]cn1 ZINC000894193196 583333492 /nfs/dbraw/zinc/33/34/92/583333492.db2.gz HFDJDMXZHVBQBM-UHFFFAOYSA-N 2 1 237.253 2.020 20 0 BEADMP C[C@@H]1[C@H](C)C[N@@H+](CC2CC[NH+](C)CC2)[C@H]1C ZINC000894959559 583559280 /nfs/dbraw/zinc/55/92/80/583559280.db2.gz YIRCEFYWDLFQIZ-UPJWGTAASA-N 2 1 224.392 2.305 20 0 BEADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cnccn1 ZINC000894968897 583560437 /nfs/dbraw/zinc/56/04/37/583560437.db2.gz ZMGDRDMMKXIBBU-LBPRGKRZSA-N 2 1 248.374 2.002 20 0 BEADMP COc1ccsc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000895297747 583639835 /nfs/dbraw/zinc/63/98/35/583639835.db2.gz NUDDTAFJKUYABY-JTQLQIEISA-N 2 1 242.388 2.187 20 0 BEADMP C[C@H](CC[NH2+]Cc1ccccc1N(C)C)[NH+](C)C ZINC000895298196 583640150 /nfs/dbraw/zinc/64/01/50/583640150.db2.gz ULLWWTYLFPSXKH-CYBMUJFWSA-N 2 1 249.402 2.182 20 0 BEADMP C[C@@H](CC[NH2+]Cc1ccccc1N(C)C)[NH+](C)C ZINC000895298197 583640191 /nfs/dbraw/zinc/64/01/91/583640191.db2.gz ULLWWTYLFPSXKH-ZDUSSCGKSA-N 2 1 249.402 2.182 20 0 BEADMP Cc1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)c(C)o1 ZINC000895296533 583641211 /nfs/dbraw/zinc/64/12/11/583641211.db2.gz OFFNPIJBTWIIIA-SNVBAGLBSA-N 2 1 224.348 2.326 20 0 BEADMP C[C@H]1C[N@H+](CC2(F)CC2)CCN1c1cc[nH+]cc1 ZINC000895556528 583690571 /nfs/dbraw/zinc/69/05/71/583690571.db2.gz JLEYLLFXSNPRCH-LBPRGKRZSA-N 2 1 249.333 2.094 20 0 BEADMP C[C@H]1C[N@@H+](CC2(F)CC2)CCN1c1cc[nH+]cc1 ZINC000895556528 583690573 /nfs/dbraw/zinc/69/05/73/583690573.db2.gz JLEYLLFXSNPRCH-LBPRGKRZSA-N 2 1 249.333 2.094 20 0 BEADMP C[C@@H]1C[N@@H+](CC2(C)CC2)CCN1c1cc[nH+]cc1 ZINC000895556307 583690617 /nfs/dbraw/zinc/69/06/17/583690617.db2.gz HBNGOHXVYDBMDH-CYBMUJFWSA-N 2 1 245.370 2.392 20 0 BEADMP C[N@H+]1CC[C@H]1CNc1ccnc2ccsc21 ZINC000895770017 583724085 /nfs/dbraw/zinc/72/40/85/583724085.db2.gz YGHIGRYUFGYRHO-VIFPVBQESA-N 2 1 233.340 2.412 20 0 BEADMP C[N@H+]1CC[C@@H]1CNc1ccnc2ccsc21 ZINC000895769994 583724227 /nfs/dbraw/zinc/72/42/27/583724227.db2.gz YGHIGRYUFGYRHO-SECBINFHSA-N 2 1 233.340 2.412 20 0 BEADMP CCc1cc(N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)cc[nH+]1 ZINC000896913595 583854015 /nfs/dbraw/zinc/85/40/15/583854015.db2.gz USUXEYSPJNVOEL-SWLSCSKDSA-N 2 1 245.370 2.032 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C=CCC2)CC1(C)C ZINC000858189906 588938173 /nfs/dbraw/zinc/93/81/73/588938173.db2.gz YXLBHGNGOSXQOE-RYUDHWBXSA-N 2 1 208.349 2.167 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2C=CCC2)CC1(C)C ZINC000858189907 588938182 /nfs/dbraw/zinc/93/81/82/588938182.db2.gz YXLBHGNGOSXQOE-VXGBXAGGSA-N 2 1 208.349 2.167 20 0 BEADMP F[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000865697165 584027084 /nfs/dbraw/zinc/02/70/84/584027084.db2.gz UKOXHEIBSBABER-DGAVXFQQSA-N 2 1 240.366 2.484 20 0 BEADMP C1CC1[NH+]1CCC([NH2+][C@@H]2C[C@H]3CCC[C@H]32)CC1 ZINC000897957076 584065722 /nfs/dbraw/zinc/06/57/22/584065722.db2.gz BCSCTZCSURPQEO-KCPJHIHWSA-N 2 1 234.387 2.391 20 0 BEADMP Cc1ncccc1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000898251640 584100437 /nfs/dbraw/zinc/10/04/37/584100437.db2.gz GPYPNBCTTCQVPS-WFASDCNBSA-N 2 1 247.386 2.005 20 0 BEADMP C[C@@H]1CC=CC[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000898224398 584102701 /nfs/dbraw/zinc/10/27/01/584102701.db2.gz WCNUZFIWIMWGCW-ZOBORPQBSA-N 2 1 222.376 2.413 20 0 BEADMP C[C@@H]1CC=CC[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000898224398 584102703 /nfs/dbraw/zinc/10/27/03/584102703.db2.gz WCNUZFIWIMWGCW-ZOBORPQBSA-N 2 1 222.376 2.413 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@H+](C)C[C@@H]1CCC=CO1 ZINC000898308246 584109659 /nfs/dbraw/zinc/10/96/59/584109659.db2.gz UXYYUPFZQYEESZ-ZDUSSCGKSA-N 2 1 240.391 2.199 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@@H+](C)C[C@@H]1CCC=CO1 ZINC000898308246 584109660 /nfs/dbraw/zinc/10/96/60/584109660.db2.gz UXYYUPFZQYEESZ-ZDUSSCGKSA-N 2 1 240.391 2.199 20 0 BEADMP C[N@@H+]1CC[C@@H]([NH2+]C/C=C\Cl)CC1(C)C ZINC000898430116 584134455 /nfs/dbraw/zinc/13/44/55/584134455.db2.gz UXAMDJMOODIHSP-AYYIZTPMSA-N 2 1 216.756 2.201 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]C/C=C\Cl)CC1(C)C ZINC000898430116 584134457 /nfs/dbraw/zinc/13/44/57/584134457.db2.gz UXAMDJMOODIHSP-AYYIZTPMSA-N 2 1 216.756 2.201 20 0 BEADMP Cl/C=C\C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000898432024 584135327 /nfs/dbraw/zinc/13/53/27/584135327.db2.gz DWHARRPUAKZJLS-BHQIHCQQSA-N 2 1 228.767 2.203 20 0 BEADMP CNc1ccc(C)cc1C[NH2+]CCC[NH+](C)C ZINC000902028994 584513151 /nfs/dbraw/zinc/51/31/51/584513151.db2.gz TUKGXJJZOBBYNO-UHFFFAOYSA-N 2 1 235.375 2.078 20 0 BEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccco2)C1 ZINC000902315791 584555853 /nfs/dbraw/zinc/55/58/53/584555853.db2.gz DJKGLQGJYJFZNY-LLVKDONJSA-N 2 1 222.332 2.147 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CC2)c2ccccc21 ZINC000902404195 584588927 /nfs/dbraw/zinc/58/89/27/584588927.db2.gz CPQDXGUAQGMDNQ-ZWNOBZJWSA-N 2 1 216.328 2.316 20 0 BEADMP C[C@H]([NH2+]CC1([NH3+])CC1)c1cccc(Cl)c1 ZINC000902415465 584589427 /nfs/dbraw/zinc/58/94/27/584589427.db2.gz OQUSWMGOTXQJBM-VIFPVBQESA-N 2 1 224.735 2.482 20 0 BEADMP C[C@H](CCc1ccc(F)cc1)[NH2+]CC1([NH3+])CC1 ZINC000902415545 584589460 /nfs/dbraw/zinc/58/94/60/584589460.db2.gz IFSVNFKLUHYWRN-LLVKDONJSA-N 2 1 236.334 2.228 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]CC2([NH3+])CC2)s1 ZINC000902415250 584589643 /nfs/dbraw/zinc/58/96/43/584589643.db2.gz MKBZZRIYICWGIF-SECBINFHSA-N 2 1 210.346 2.198 20 0 BEADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000902416107 584590107 /nfs/dbraw/zinc/59/01/07/584590107.db2.gz RPARDCPZDHESIQ-CYBMUJFWSA-N 2 1 216.328 2.145 20 0 BEADMP CCOc1ccc([C@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902416686 584590645 /nfs/dbraw/zinc/59/06/45/584590645.db2.gz WIHCFDLMNDQVHG-NSHDSACASA-N 2 1 234.343 2.227 20 0 BEADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC1([NH3+])CC1 ZINC000902418045 584591825 /nfs/dbraw/zinc/59/18/25/584591825.db2.gz UOFCBQRNKUSKQF-ZDUSSCGKSA-N 2 1 216.328 2.063 20 0 BEADMP C[C@H](CCc1cccc(F)c1)[NH2+]CC1([NH3+])CC1 ZINC000902418102 584591879 /nfs/dbraw/zinc/59/18/79/584591879.db2.gz VJZBUBBWBNUTLQ-LLVKDONJSA-N 2 1 236.334 2.228 20 0 BEADMP C[C@@H](CCc1cccc(F)c1)[NH2+]CC1([NH3+])CC1 ZINC000902418104 584591945 /nfs/dbraw/zinc/59/19/45/584591945.db2.gz VJZBUBBWBNUTLQ-NSHDSACASA-N 2 1 236.334 2.228 20 0 BEADMP CC1(C)C[NH2+]C[C@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000902444426 584599228 /nfs/dbraw/zinc/59/92/28/584599228.db2.gz NLDMGOPEFXZCDB-NWDGAFQWSA-N 2 1 222.376 2.297 20 0 BEADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902415156 584600908 /nfs/dbraw/zinc/60/09/08/584600908.db2.gz BWLIOPHSTGEENV-RYUDHWBXSA-N 2 1 248.370 2.268 20 0 BEADMP C[C@@H](Cc1ccsc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473950 584602285 /nfs/dbraw/zinc/60/22/85/584602285.db2.gz AVMBYMXPPZRMDJ-ZBAXXZLZSA-N 2 1 236.384 2.162 20 0 BEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cncs1 ZINC000902453443 584607779 /nfs/dbraw/zinc/60/77/79/584607779.db2.gz CXWGXUXSVPIUDG-NFLHVTIKSA-N 2 1 237.372 2.077 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)c1c[nH+]ccc1N ZINC000902454369 584608661 /nfs/dbraw/zinc/60/86/61/584608661.db2.gz HGPFAQCHXQPEJQ-AYGWYOGXSA-N 2 1 231.343 2.333 20 0 BEADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1cncs1 ZINC000902456250 584610183 /nfs/dbraw/zinc/61/01/83/584610183.db2.gz OKCRXSNOCNATEA-LSJOCFKGSA-N 2 1 237.372 2.064 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1cncs1 ZINC000902456248 584610396 /nfs/dbraw/zinc/61/03/96/584610396.db2.gz OKCRXSNOCNATEA-JMJZKYOTSA-N 2 1 237.372 2.064 20 0 BEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCC(C)(C)O1 ZINC000902462670 584612154 /nfs/dbraw/zinc/61/21/54/584612154.db2.gz XEOPIYGCJZDHKA-RYUDHWBXSA-N 2 1 240.391 2.064 20 0 BEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCC(C)(C)O1 ZINC000902462669 584612329 /nfs/dbraw/zinc/61/23/29/584612329.db2.gz XEOPIYGCJZDHKA-NWDGAFQWSA-N 2 1 240.391 2.064 20 0 BEADMP Cc1ncccc1CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000902513654 584623444 /nfs/dbraw/zinc/62/34/44/584623444.db2.gz NMCKHJBKNVCCCN-HIFRSBDPSA-N 2 1 247.386 2.053 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902796984 584674561 /nfs/dbraw/zinc/67/45/61/584674561.db2.gz SARCGRACNOVHRP-XQLPTFJDSA-N 2 1 236.403 2.497 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]C2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000902896930 584691421 /nfs/dbraw/zinc/69/14/21/584691421.db2.gz NKSBWLJYQAYUOR-KBPBESRZSA-N 2 1 234.387 2.417 20 0 BEADMP C/C=C/C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903206141 584736346 /nfs/dbraw/zinc/73/63/46/584736346.db2.gz HQCJFERODGNZHV-LCJPNKJISA-N 2 1 220.360 2.310 20 0 BEADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000903252495 584739090 /nfs/dbraw/zinc/73/90/90/584739090.db2.gz DITRWFOBDWPRHK-JSLGZRHDSA-N 2 1 234.387 2.247 20 0 BEADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000903254458 584739476 /nfs/dbraw/zinc/73/94/76/584739476.db2.gz RKYIFRFFQKRLES-QPKOPYBWSA-N 2 1 234.387 2.247 20 0 BEADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000903254040 584739519 /nfs/dbraw/zinc/73/95/19/584739519.db2.gz PBKHMKHMBYPXPS-XGFWRYKXSA-N 2 1 236.403 2.493 20 0 BEADMP C[N@@H+](CCOc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903427237 584761126 /nfs/dbraw/zinc/76/11/26/584761126.db2.gz UZQXKQOPMQPWHR-KGLIPLIRSA-N 2 1 248.370 2.125 20 0 BEADMP Cc1cccc2c1CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903435691 584762364 /nfs/dbraw/zinc/76/23/64/584762364.db2.gz VYBDBIXJKUJHCU-HIFRSBDPSA-N 2 1 244.382 2.481 20 0 BEADMP CC(C)[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)C1CCC1 ZINC000903440412 584763045 /nfs/dbraw/zinc/76/30/45/584763045.db2.gz WYJGRCUFKQRAKO-NEPJUHHUSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1Cc2ccccc2C[C@H]1C ZINC000903439893 584763067 /nfs/dbraw/zinc/76/30/67/584763067.db2.gz PIKQMBGQMVFCMX-IOASZLSFSA-N 2 1 244.382 2.289 20 0 BEADMP CC(C)[N@H+](Cc1ccccn1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903442010 584767263 /nfs/dbraw/zinc/76/72/63/584767263.db2.gz FOLCKZHMSQKFMG-KGLIPLIRSA-N 2 1 247.386 2.419 20 0 BEADMP CC(F)(F)CCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000903464632 584772536 /nfs/dbraw/zinc/77/25/36/584772536.db2.gz UODLSJYIXPPXGS-CMPLNLGQSA-N 2 1 232.318 2.235 20 0 BEADMP CC(F)(F)CCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000903464632 584772538 /nfs/dbraw/zinc/77/25/38/584772538.db2.gz UODLSJYIXPPXGS-CMPLNLGQSA-N 2 1 232.318 2.235 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000903453909 584773001 /nfs/dbraw/zinc/77/30/01/584773001.db2.gz PCZREMFLPYEYBR-RDBSUJKOSA-N 2 1 222.376 2.108 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000903454405 584773172 /nfs/dbraw/zinc/77/31/72/584773172.db2.gz BMKCVGOQTGQBPZ-CKIKVBCHSA-N 2 1 210.365 2.009 20 0 BEADMP CC(F)(F)CCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000903454148 584773493 /nfs/dbraw/zinc/77/34/93/584773493.db2.gz VXOWCXFFFGGPGW-CYBMUJFWSA-N 2 1 246.345 2.497 20 0 BEADMP C[C@H]1CCC(C)(C)[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903482859 584779083 /nfs/dbraw/zinc/77/90/83/584779083.db2.gz WEFHDMZNWCXEEV-TUAOUCFPSA-N 2 1 210.365 2.377 20 0 BEADMP CCSCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903484786 584779302 /nfs/dbraw/zinc/77/93/02/584779302.db2.gz FEVRVYUPTAZBIV-NSHDSACASA-N 2 1 228.405 2.004 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(C)n1 ZINC000903499201 584780208 /nfs/dbraw/zinc/78/02/08/584780208.db2.gz JNVOXBCDLIAKIT-BXUZGUMPSA-N 2 1 247.386 2.115 20 0 BEADMP CC1CC(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000903748905 584794650 /nfs/dbraw/zinc/79/46/50/584794650.db2.gz CUUQQBJNKKENCY-PFSRBDOWSA-N 2 1 236.403 2.354 20 0 BEADMP FCc1ccccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000903744726 584796573 /nfs/dbraw/zinc/79/65/73/584796573.db2.gz XSCWFRKHSXJMAN-HNNXBMFYSA-N 2 1 248.345 2.342 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]C1)c1ccccn1 ZINC000903759471 584796938 /nfs/dbraw/zinc/79/69/38/584796938.db2.gz QAJJHPSUXSUAJH-STQMWFEESA-N 2 1 233.359 2.122 20 0 BEADMP C[N@@H+](C[C@H]1CC1(C)C)C[C@@H]1CCCC[NH2+]C1 ZINC000903769891 584797869 /nfs/dbraw/zinc/79/78/69/584797869.db2.gz QXQRTESYMMNWKE-CHWSQXEVSA-N 2 1 224.392 2.354 20 0 BEADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CC2CC2)CCC1 ZINC000903812154 584803409 /nfs/dbraw/zinc/80/34/09/584803409.db2.gz QZFNWYWXSYPEPP-ZDUSSCGKSA-N 2 1 222.376 2.380 20 0 BEADMP CCOCC[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903812881 584803548 /nfs/dbraw/zinc/80/35/48/584803548.db2.gz ACGZUEKYPTXBDW-CYBMUJFWSA-N 2 1 240.391 2.006 20 0 BEADMP C[C@@H]1CCOCC[N@H+]1CCCCCCC[NH3+] ZINC000903832938 584806126 /nfs/dbraw/zinc/80/61/26/584806126.db2.gz TYHNCYWUCZPFPH-CYBMUJFWSA-N 2 1 228.380 2.006 20 0 BEADMP CCCCCC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903849579 584808012 /nfs/dbraw/zinc/80/80/12/584808012.db2.gz DJSHFTZXKZEKQX-QWHCGFSZSA-N 2 1 210.365 2.380 20 0 BEADMP CCCCCC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903849579 584808013 /nfs/dbraw/zinc/80/80/13/584808013.db2.gz DJSHFTZXKZEKQX-QWHCGFSZSA-N 2 1 210.365 2.380 20 0 BEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1F)C2 ZINC000903849217 584808016 /nfs/dbraw/zinc/80/80/16/584808016.db2.gz BAHXUTIJDPNXND-UHTWSYAYSA-N 2 1 234.318 2.137 20 0 BEADMP Cc1ccc(CC[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903855091 584809001 /nfs/dbraw/zinc/80/90/01/584809001.db2.gz LIFGVQFIMJWEGT-HZPDHXFCSA-N 2 1 244.382 2.351 20 0 BEADMP Cc1ccc(CC[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903855091 584809003 /nfs/dbraw/zinc/80/90/03/584809003.db2.gz LIFGVQFIMJWEGT-HZPDHXFCSA-N 2 1 244.382 2.351 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@@H]2CC[C@@]21CN ZINC000903856534 584809128 /nfs/dbraw/zinc/80/91/28/584809128.db2.gz ABFUZHQDEOEACN-QWHCGFSZSA-N 2 1 208.349 2.156 20 0 BEADMP CC(C)=CCC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903856534 584809129 /nfs/dbraw/zinc/80/91/29/584809129.db2.gz ABFUZHQDEOEACN-QWHCGFSZSA-N 2 1 208.349 2.156 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903856534 584809130 /nfs/dbraw/zinc/80/91/30/584809130.db2.gz ABFUZHQDEOEACN-QWHCGFSZSA-N 2 1 208.349 2.156 20 0 BEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000903858898 584810831 /nfs/dbraw/zinc/81/08/31/584810831.db2.gz KBRNKZVMNWOHKY-APIJFGDWSA-N 2 1 234.387 2.236 20 0 BEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000903858898 584810833 /nfs/dbraw/zinc/81/08/33/584810833.db2.gz KBRNKZVMNWOHKY-APIJFGDWSA-N 2 1 234.387 2.236 20 0 BEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCCc1ccccc1 ZINC000903858698 584810948 /nfs/dbraw/zinc/81/09/48/584810948.db2.gz YEHWTIPMXIFRJD-HZPDHXFCSA-N 2 1 244.382 2.432 20 0 BEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCCc1ccccc1 ZINC000903858698 584810950 /nfs/dbraw/zinc/81/09/50/584810950.db2.gz YEHWTIPMXIFRJD-HZPDHXFCSA-N 2 1 244.382 2.432 20 0 BEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000903858904 584811341 /nfs/dbraw/zinc/81/13/41/584811341.db2.gz KBRNKZVMNWOHKY-QPSCCSFWSA-N 2 1 234.387 2.236 20 0 BEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000903858904 584811342 /nfs/dbraw/zinc/81/13/42/584811342.db2.gz KBRNKZVMNWOHKY-QPSCCSFWSA-N 2 1 234.387 2.236 20 0 BEADMP CCC(CC)C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903860636 584812333 /nfs/dbraw/zinc/81/23/33/584812333.db2.gz SMHIZBBCJQWRMR-QWHCGFSZSA-N 2 1 210.365 2.236 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903860636 584812335 /nfs/dbraw/zinc/81/23/35/584812335.db2.gz SMHIZBBCJQWRMR-QWHCGFSZSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@]12CSC[C@H]1C[N@@H+](CCCCCC[NH3+])C2 ZINC000903870785 584814653 /nfs/dbraw/zinc/81/46/53/584814653.db2.gz JHBCUSVKCAQNCF-OLZOCXBDSA-N 2 1 242.432 2.190 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869174 584814864 /nfs/dbraw/zinc/81/48/64/584814864.db2.gz CXJNFWPPCHVEPI-YPMHNXCESA-N 2 1 246.345 2.496 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869174 584814866 /nfs/dbraw/zinc/81/48/66/584814866.db2.gz CXJNFWPPCHVEPI-YPMHNXCESA-N 2 1 246.345 2.496 20 0 BEADMP C(C[N@@H+]1CCC[C@@]12CC[NH2+]C2)[C@@H]1C[C@H]1C1CC1 ZINC000903872167 584815279 /nfs/dbraw/zinc/81/52/79/584815279.db2.gz WVITWDAWSXCHJX-ILXRZTDVSA-N 2 1 234.387 2.251 20 0 BEADMP C(C[N@H+]1CCC[C@@]12CC[NH2+]C2)[C@@H]1C[C@H]1C1CC1 ZINC000903872167 584815280 /nfs/dbraw/zinc/81/52/80/584815280.db2.gz WVITWDAWSXCHJX-ILXRZTDVSA-N 2 1 234.387 2.251 20 0 BEADMP C[C@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)CC12CCC2 ZINC000903913466 584822824 /nfs/dbraw/zinc/82/28/24/584822824.db2.gz CNUYCZTYIIHYBS-QWRGUYRKSA-N 2 1 246.345 2.481 20 0 BEADMP C[C@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)CC12CCC2 ZINC000903913466 584822826 /nfs/dbraw/zinc/82/28/26/584822826.db2.gz CNUYCZTYIIHYBS-QWRGUYRKSA-N 2 1 246.345 2.481 20 0 BEADMP C[C@H]1CC(C)(C)C[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000903929183 584824197 /nfs/dbraw/zinc/82/41/97/584824197.db2.gz BMZXJIGGAGSABT-DTWKUNHWSA-N 2 1 220.307 2.089 20 0 BEADMP C[C@@]1([NH2+]C[C@@H]([NH3+])CC(F)F)CC=CCC1 ZINC000903929693 584824465 /nfs/dbraw/zinc/82/44/65/584824465.db2.gz JQHWVJAEHNDXAU-GXSJLCMTSA-N 2 1 218.291 2.057 20 0 BEADMP N[C@@H](CC(F)F)C[N@@H+](CC1CC1)CC1CCC1 ZINC000903917072 584827045 /nfs/dbraw/zinc/82/70/45/584827045.db2.gz KNAPCBYVCNCOCS-LBPRGKRZSA-N 2 1 246.345 2.481 20 0 BEADMP [NH3+][C@H](C[NH2+]C1CCC=CCC1)CC(F)F ZINC000903960056 584827463 /nfs/dbraw/zinc/82/74/63/584827463.db2.gz WDYGHWYBEXNVJI-VIFPVBQESA-N 2 1 218.291 2.057 20 0 BEADMP C[C@H](CC[NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000903964358 584834064 /nfs/dbraw/zinc/83/40/64/584834064.db2.gz NXZIVEGOPCKAOC-UMVBOHGHSA-N 2 1 232.371 2.378 20 0 BEADMP Cc1cccc(OCC[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904305116 584862156 /nfs/dbraw/zinc/86/21/56/584862156.db2.gz DUFNBPQWEFFPHJ-OKILXGFUSA-N 2 1 248.370 2.043 20 0 BEADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCc2ccccc21 ZINC000904307947 584862941 /nfs/dbraw/zinc/86/29/41/584862941.db2.gz ZJJZAKSXUSANIJ-LNSITVRQSA-N 2 1 230.355 2.343 20 0 BEADMP COC[C@@H]1CC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904321021 584863776 /nfs/dbraw/zinc/86/37/76/584863776.db2.gz TXHPMMYWKQXQTG-OLZOCXBDSA-N 2 1 242.407 2.108 20 0 BEADMP COC[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904321021 584863777 /nfs/dbraw/zinc/86/37/77/584863777.db2.gz TXHPMMYWKQXQTG-OLZOCXBDSA-N 2 1 242.407 2.108 20 0 BEADMP C[C@@H]1CCC[C@H](C)C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904321656 584864106 /nfs/dbraw/zinc/86/41/06/584864106.db2.gz BAGFPDPJSWEANE-QNWHQSFQSA-N 2 1 210.365 2.234 20 0 BEADMP C[C@H]1CCC[C@H](C)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904321658 584864134 /nfs/dbraw/zinc/86/41/34/584864134.db2.gz BAGFPDPJSWEANE-ZDEQEGDKSA-N 2 1 210.365 2.234 20 0 BEADMP C[C@@H]1CC[C@]2(CC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)C1 ZINC000904331725 584865943 /nfs/dbraw/zinc/86/59/43/584865943.db2.gz KQXHNBBUUYGZRD-MQYQWHSLSA-N 2 1 222.376 2.236 20 0 BEADMP C[C@H]1CC[C@@]2(CC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)C1 ZINC000904331724 584866215 /nfs/dbraw/zinc/86/62/15/584866215.db2.gz KQXHNBBUUYGZRD-IGQOVBAYSA-N 2 1 222.376 2.236 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC(C)(C)C1 ZINC000904341846 584867134 /nfs/dbraw/zinc/86/71/34/584867134.db2.gz XJFXFOQVFDQZJN-SDDRHHMPSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@H]1C[C@@H](c2cccnc2)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904341786 584867442 /nfs/dbraw/zinc/86/74/42/584867442.db2.gz VXVXBZCPKMRNAY-VIRABCJISA-N 2 1 245.370 2.202 20 0 BEADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](N)CCC(C)(C)C ZINC000904354843 584870775 /nfs/dbraw/zinc/87/07/75/584870775.db2.gz JOXBXAPQGHUIRP-STQMWFEESA-N 2 1 243.439 2.247 20 0 BEADMP C/C=C\C[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904381651 584877075 /nfs/dbraw/zinc/87/70/75/584877075.db2.gz QRVGJGHZWPZDOR-RCWDGGQMSA-N 2 1 222.376 2.402 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(C[NH3+])cc1 ZINC000904384050 584877561 /nfs/dbraw/zinc/87/75/61/584877561.db2.gz HMNFBNSTXCLWQH-UHFFFAOYSA-N 3 1 249.402 2.096 20 0 BEADMP Cc1ccsc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904411813 584879766 /nfs/dbraw/zinc/87/97/66/584879766.db2.gz NPSQALISNHPADP-NWDGAFQWSA-N 2 1 238.400 2.473 20 0 BEADMP C[C@@H](Cc1ccccc1)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000904419547 584882245 /nfs/dbraw/zinc/88/22/45/584882245.db2.gz WZXDXGJGOXAFRM-SQWLQELKSA-N 2 1 246.398 2.392 20 0 BEADMP COc1cccc2c1CCC[C@H]2[NH2+][C@@H](C)C[NH3+] ZINC000817970336 584993211 /nfs/dbraw/zinc/99/32/11/584993211.db2.gz ROBUFPXRIXSAQM-GXFFZTMASA-N 2 1 234.343 2.009 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000817979519 584995031 /nfs/dbraw/zinc/99/50/31/584995031.db2.gz LEMBSUQVMVWGGO-OCCSQVGLSA-N 2 1 218.344 2.309 20 0 BEADMP C[C@@H](c1ccncc1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000738312076 585042601 /nfs/dbraw/zinc/04/26/01/585042601.db2.gz NROOPNIWXDOHSZ-ZDUSSCGKSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@H](c1ccncc1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000738312075 585042742 /nfs/dbraw/zinc/04/27/42/585042742.db2.gz NROOPNIWXDOHSZ-CYBMUJFWSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@@H](c1ccccn1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000750043120 585209534 /nfs/dbraw/zinc/20/95/34/585209534.db2.gz RGPKEAKAXJZLCH-ZDUSSCGKSA-N 2 1 247.386 2.416 20 0 BEADMP CC(C)CC(N)=[NH+]OCC[NH+]1CCCCC1 ZINC000766711989 585506308 /nfs/dbraw/zinc/50/63/08/585506308.db2.gz SXERXHBXXGHRBZ-UHFFFAOYSA-N 2 1 227.352 2.017 20 0 BEADMP FC(F)C1CC([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000768676539 585541737 /nfs/dbraw/zinc/54/17/37/585541737.db2.gz ZTECLYYYMNABLI-UHFFFAOYSA-N 2 1 244.329 2.247 20 0 BEADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccoc3)CC[C@H]21 ZINC000770349256 585572938 /nfs/dbraw/zinc/57/29/38/585572938.db2.gz CLODXPASSMILPV-ZIAGYGMSSA-N 2 1 234.343 2.196 20 0 BEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccoc3)CC[C@H]21 ZINC000770349256 585572939 /nfs/dbraw/zinc/57/29/39/585572939.db2.gz CLODXPASSMILPV-ZIAGYGMSSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccoc3)CC[C@H]21 ZINC000770349256 585572940 /nfs/dbraw/zinc/57/29/40/585572940.db2.gz CLODXPASSMILPV-ZIAGYGMSSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccoc3)CC[C@H]21 ZINC000770349256 585572941 /nfs/dbraw/zinc/57/29/41/585572941.db2.gz CLODXPASSMILPV-ZIAGYGMSSA-N 2 1 234.343 2.196 20 0 BEADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCC=CO2)CC1 ZINC000774828368 585667020 /nfs/dbraw/zinc/66/70/20/585667020.db2.gz YXPINDGQCHQMNK-CQSZACIVSA-N 2 1 238.375 2.095 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCC=CO2)CC1 ZINC000774828368 585667021 /nfs/dbraw/zinc/66/70/21/585667021.db2.gz YXPINDGQCHQMNK-CQSZACIVSA-N 2 1 238.375 2.095 20 0 BEADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(F)nc1 ZINC000778155904 585726435 /nfs/dbraw/zinc/72/64/35/585726435.db2.gz MHWYNXYNIBSBDE-UHFFFAOYSA-N 2 1 239.338 2.041 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(F)nc1 ZINC000778155904 585726436 /nfs/dbraw/zinc/72/64/36/585726436.db2.gz MHWYNXYNIBSBDE-UHFFFAOYSA-N 2 1 239.338 2.041 20 0 BEADMP C[C@H](CCO)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000779343867 585752088 /nfs/dbraw/zinc/75/20/88/585752088.db2.gz UOQCTLMNCILRJZ-CYBMUJFWSA-N 2 1 242.407 2.002 20 0 BEADMP CC(C)[C@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782183269 585810526 /nfs/dbraw/zinc/81/05/26/585810526.db2.gz JRAPDXNPCIWQKA-LBPRGKRZSA-N 2 1 212.381 2.305 20 0 BEADMP C[C@@H](C1CC1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782183613 585810964 /nfs/dbraw/zinc/81/09/64/585810964.db2.gz NCXKZKJCAZZENP-NSHDSACASA-N 2 1 210.365 2.059 20 0 BEADMP C[C@H](C1CC1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000782192943 585811611 /nfs/dbraw/zinc/81/16/11/585811611.db2.gz XDIGJUWYUZZWBJ-XBFCOCLRSA-N 2 1 222.376 2.201 20 0 BEADMP C[C@H](C1CC1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000782192943 585811612 /nfs/dbraw/zinc/81/16/12/585811612.db2.gz XDIGJUWYUZZWBJ-XBFCOCLRSA-N 2 1 222.376 2.201 20 0 BEADMP C[C@H](C1CC1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000782192943 585811613 /nfs/dbraw/zinc/81/16/13/585811613.db2.gz XDIGJUWYUZZWBJ-XBFCOCLRSA-N 2 1 222.376 2.201 20 0 BEADMP CCn1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000789503892 585943535 /nfs/dbraw/zinc/94/35/35/585943535.db2.gz JSVZCYMCLCAJIG-UHFFFAOYSA-N 2 1 249.402 2.282 20 0 BEADMP C[NH+]1CCC2(CCC[N@@H+](CC3(F)CC3)C2)CC1 ZINC000798957537 586154390 /nfs/dbraw/zinc/15/43/90/586154390.db2.gz ZWJRBSZUUYATPO-UHFFFAOYSA-N 2 1 240.366 2.296 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H]1CCC=CO1 ZINC000809757792 586517553 /nfs/dbraw/zinc/51/75/53/586517553.db2.gz XWBHABJJKYDWFT-AWEZNQCLSA-N 2 1 240.391 2.343 20 0 BEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(F)cnc1Cl ZINC000817933375 586841384 /nfs/dbraw/zinc/84/13/84/586841384.db2.gz BYNNXETTWLBXTK-SFYZADRCSA-N 2 1 245.729 2.090 20 0 BEADMP Cc1cc(Cl)nc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000817929560 586842076 /nfs/dbraw/zinc/84/20/76/586842076.db2.gz IJHFBSPHYJAQJG-VHSXEESVSA-N 2 1 241.766 2.259 20 0 BEADMP CC[C@@H]([NH2+]CC[NH3+])c1ccc2c(c1)CCCO2 ZINC000817934494 586843023 /nfs/dbraw/zinc/84/30/23/586843023.db2.gz JTXIQBWJLVOWNC-CYBMUJFWSA-N 2 1 234.343 2.011 20 0 BEADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000817943965 586846202 /nfs/dbraw/zinc/84/62/02/586846202.db2.gz TXOVYSNOECMIPC-SNVBAGLBSA-N 2 1 241.766 2.385 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000817954232 586848683 /nfs/dbraw/zinc/84/86/83/586848683.db2.gz XNKRMWROYARVIZ-RWMBFGLXSA-N 2 1 210.365 2.154 20 0 BEADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc2c(c1)CCO2 ZINC000817959105 586851944 /nfs/dbraw/zinc/85/19/44/586851944.db2.gz CGKIJAZJVNYGFR-YGRLFVJLSA-N 2 1 246.354 2.009 20 0 BEADMP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C[NH3+])C1CC1 ZINC000817961335 586852643 /nfs/dbraw/zinc/85/26/43/586852643.db2.gz XKVIIFYBFRPTFM-CABCVRRESA-N 2 1 230.355 2.309 20 0 BEADMP CCOc1cccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000817961197 586853086 /nfs/dbraw/zinc/85/30/86/586853086.db2.gz VIUXKGPQVDZBSV-IAQYHMDHSA-N 2 1 248.370 2.473 20 0 BEADMP CCC[NH2+]CC[NH2+][C@@H](C)CSC(C)(C)C ZINC000817963980 586854024 /nfs/dbraw/zinc/85/40/24/586854024.db2.gz ZTMIWSYKWJZFFZ-NSHDSACASA-N 2 1 232.437 2.496 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000817969942 586855927 /nfs/dbraw/zinc/85/59/27/586855927.db2.gz IKNBHNRUNIMTEZ-WUHRBBMRSA-N 2 1 210.365 2.282 20 0 BEADMP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000817969638 586856540 /nfs/dbraw/zinc/85/65/40/586856540.db2.gz FPZKJTOTKURZOE-VHSXEESVSA-N 2 1 210.296 2.132 20 0 BEADMP C[C@H](CSC(C)(C)C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000817967543 586856709 /nfs/dbraw/zinc/85/67/09/586856709.db2.gz KCQFCYCMQFHVKO-UTUOFQBUSA-N 2 1 244.448 2.494 20 0 BEADMP CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc2c(c1)CCCO2 ZINC000817969646 586856747 /nfs/dbraw/zinc/85/67/47/586856747.db2.gz FSCNQIXEZYPQKA-SMDDNHRTSA-N 2 1 248.370 2.400 20 0 BEADMP CC[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccc2c(c1)CCCO2 ZINC000817974053 586860898 /nfs/dbraw/zinc/86/08/98/586860898.db2.gz XNLKDPCCZFRHBQ-RISCZKNCSA-N 2 1 248.370 2.400 20 0 BEADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C1CC1 ZINC000825126948 587305789 /nfs/dbraw/zinc/30/57/89/587305789.db2.gz ULJYWBSNIIWPBA-ZOBORPQBSA-N 2 1 222.376 2.105 20 0 BEADMP CC[N@H+](CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(C)C ZINC000825184890 587308566 /nfs/dbraw/zinc/30/85/66/587308566.db2.gz BTTNVJFPQDBAKP-RDBSUJKOSA-N 2 1 224.392 2.495 20 0 BEADMP CC[N@@H+](CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(C)C ZINC000825184890 587308568 /nfs/dbraw/zinc/30/85/68/587308568.db2.gz BTTNVJFPQDBAKP-RDBSUJKOSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]1CC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000834909614 587770275 /nfs/dbraw/zinc/77/02/75/587770275.db2.gz SPQUITOBSMPDLN-AAEUAGOBSA-N 2 1 210.365 2.249 20 0 BEADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(Cl)nc1 ZINC000841030830 587936004 /nfs/dbraw/zinc/93/60/04/587936004.db2.gz LQJSNVMMIDPYFP-UHFFFAOYSA-N 2 1 241.766 2.342 20 0 BEADMP [NH3+]C[C@@H]([NH2+]Cc1cnc2ccccc2c1)C1CC1 ZINC000841028255 587936389 /nfs/dbraw/zinc/93/63/89/587936389.db2.gz NUUKQYRZELTRPO-OAHLLOKOSA-N 2 1 241.338 2.062 20 0 BEADMP [NH3+][C@H](C[NH2+]Cc1cncc2ccccc21)C1CC1 ZINC000841050737 587940127 /nfs/dbraw/zinc/94/01/27/587940127.db2.gz SUCHAXCEEUNOPD-OAHLLOKOSA-N 2 1 241.338 2.062 20 0 BEADMP Cc1cccc2c1CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000842472351 588028997 /nfs/dbraw/zinc/02/89/97/588028997.db2.gz XFYHCSVUDFPNKB-AWEZNQCLSA-N 2 1 244.382 2.353 20 0 BEADMP CCCCCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842480528 588029707 /nfs/dbraw/zinc/02/97/07/588029707.db2.gz PDQWDDLLRQDDCM-ZDUSSCGKSA-N 2 1 210.365 2.395 20 0 BEADMP CCCCCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842480528 588029709 /nfs/dbraw/zinc/02/97/09/588029709.db2.gz PDQWDDLLRQDDCM-ZDUSSCGKSA-N 2 1 210.365 2.395 20 0 BEADMP C[N@@H+](Cc1ncc(C2CC2)o1)C1CCC([NH3+])CC1 ZINC000843354840 588102917 /nfs/dbraw/zinc/10/29/17/588102917.db2.gz HXIXSRVKEAGIRU-UHFFFAOYSA-N 2 1 249.358 2.254 20 0 BEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccc(Cl)nc1 ZINC000843355920 588103152 /nfs/dbraw/zinc/10/31/52/588103152.db2.gz MJGPNHAKEZBUNI-GFCCVEGCSA-N 2 1 241.766 2.198 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)Cc2ccccc21 ZINC000843356218 588103296 /nfs/dbraw/zinc/10/32/96/588103296.db2.gz HTVRRHIWVARPAI-OLZOCXBDSA-N 2 1 230.355 2.215 20 0 BEADMP COCC[N@@H+](CCCCCC[NH3+])C1CCCC1 ZINC000846217552 588260429 /nfs/dbraw/zinc/26/04/29/588260429.db2.gz DGFWGPKOGLSLNY-UHFFFAOYSA-N 2 1 242.407 2.397 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C=CCC2)[C@H](C)C1 ZINC000850512179 588555869 /nfs/dbraw/zinc/55/58/69/588555869.db2.gz XFVUSODSKGYYES-AGIUHOORSA-N 2 1 208.349 2.025 20 0 BEADMP CC(C)=CCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852750681 588699211 /nfs/dbraw/zinc/69/92/11/588699211.db2.gz CAYQPWCWOPZLJQ-ZDUSSCGKSA-N 2 1 208.349 2.171 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852750681 588699212 /nfs/dbraw/zinc/69/92/12/588699212.db2.gz CAYQPWCWOPZLJQ-ZDUSSCGKSA-N 2 1 208.349 2.171 20 0 BEADMP CCC(CC)NC(=[NH2+])NCC[N@H+](C)[C@@H](C)CC ZINC000864455886 589366981 /nfs/dbraw/zinc/36/69/81/589366981.db2.gz ACLUZUZNVLYGNC-NSHDSACASA-N 2 1 242.411 2.019 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](SC)C2)[C@@H](C)C1 ZINC000866486620 589496476 /nfs/dbraw/zinc/49/64/76/589496476.db2.gz MPAZCTVLTBBWCJ-CYDGBPFRSA-N 2 1 242.432 2.200 20 0 BEADMP CC(C)C[C@H](C)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866585151 589501877 /nfs/dbraw/zinc/50/18/77/589501877.db2.gz UMEMHDSUFDSGAE-MJBXVCDLSA-N 2 1 224.392 2.447 20 0 BEADMP CC(C)C[C@H](C)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866585151 589501878 /nfs/dbraw/zinc/50/18/78/589501878.db2.gz UMEMHDSUFDSGAE-MJBXVCDLSA-N 2 1 224.392 2.447 20 0 BEADMP CC(C)C[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866585151 589501879 /nfs/dbraw/zinc/50/18/79/589501879.db2.gz UMEMHDSUFDSGAE-MJBXVCDLSA-N 2 1 224.392 2.447 20 0 BEADMP CC(C)C[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866585151 589501880 /nfs/dbraw/zinc/50/18/80/589501880.db2.gz UMEMHDSUFDSGAE-MJBXVCDLSA-N 2 1 224.392 2.447 20 0 BEADMP C(CC1CC1)C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000866667426 589510313 /nfs/dbraw/zinc/51/03/13/589510313.db2.gz MAHXTZXTCHMLQU-CYBMUJFWSA-N 2 1 208.349 2.005 20 0 BEADMP C(CC1CC1)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000866667426 589510314 /nfs/dbraw/zinc/51/03/14/589510314.db2.gz MAHXTZXTCHMLQU-CYBMUJFWSA-N 2 1 208.349 2.005 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000866696921 589512838 /nfs/dbraw/zinc/51/28/38/589512838.db2.gz CFPKQARUHMTRQU-CQSZACIVSA-N 2 1 240.391 2.020 20 0 BEADMP CC(C)OCC[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705268 589514401 /nfs/dbraw/zinc/51/44/01/589514401.db2.gz WOFJYTOUPWHEJT-AWEZNQCLSA-N 2 1 242.407 2.108 20 0 BEADMP CC1(C)CC(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC000866725244 589516373 /nfs/dbraw/zinc/51/63/73/589516373.db2.gz RGKAEZDCDNUBHE-QWHCGFSZSA-N 2 1 222.376 2.249 20 0 BEADMP CC1(C)CC(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC000866725244 589516374 /nfs/dbraw/zinc/51/63/74/589516374.db2.gz RGKAEZDCDNUBHE-QWHCGFSZSA-N 2 1 222.376 2.249 20 0 BEADMP Cc1c(Cl)ccc2c1C[N@H+](CCC[NH3+])CC2 ZINC000866725144 589516547 /nfs/dbraw/zinc/51/65/47/589516547.db2.gz REDQPFHGPYPKKG-UHFFFAOYSA-N 2 1 238.762 2.355 20 0 BEADMP Cc1c(Cl)ccc2c1C[N@@H+](CCC[NH3+])CC2 ZINC000866725144 589516548 /nfs/dbraw/zinc/51/65/48/589516548.db2.gz REDQPFHGPYPKKG-UHFFFAOYSA-N 2 1 238.762 2.355 20 0 BEADMP NC(=[NH+]OCCC[NH+]1CCCCC1)C1CCC1 ZINC000871765630 589810732 /nfs/dbraw/zinc/81/07/32/589810732.db2.gz FOUJBIBIEQMWPY-UHFFFAOYSA-N 2 1 239.363 2.161 20 0 BEADMP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2C2CC2)CC[N@H+]1C ZINC000872463055 589941872 /nfs/dbraw/zinc/94/18/72/589941872.db2.gz HKKVXKVODPJSHG-YPMHNXCESA-N 2 1 245.370 2.276 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H]1CCCC[C@@H]1F ZINC000873217387 589998087 /nfs/dbraw/zinc/99/80/87/589998087.db2.gz LDNJNDBTPAIXTF-GRYCIOLGSA-N 2 1 216.344 2.230 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCC1CC1 ZINC000873253234 590009840 /nfs/dbraw/zinc/00/98/40/590009840.db2.gz VKCVMAYAJDMOQM-YPMHNXCESA-N 2 1 210.365 2.154 20 0 BEADMP CC(C)[NH+]1CCC([NH2+]Cc2cccc(O)c2)CC1 ZINC000020189315 590083158 /nfs/dbraw/zinc/08/31/58/590083158.db2.gz ILCPRVRIQLARLR-UHFFFAOYSA-N 2 1 248.370 2.355 20 0 BEADMP C[N@@H+]1C[C@@H]2C[NH+](CC3(C)CCCC3)C[C@@H]2C1 ZINC000877482273 590337035 /nfs/dbraw/zinc/33/70/35/590337035.db2.gz CAXCSXQHHVOTFK-BETUJISGSA-N 2 1 222.376 2.060 20 0 BEADMP C=C/C=C/CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000878645263 590600543 /nfs/dbraw/zinc/60/05/43/590600543.db2.gz JEYUVGNBJYNHJE-ISZGNANSSA-N 2 1 220.360 2.146 20 0 BEADMP CC/C=C\CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879582313 590822305 /nfs/dbraw/zinc/82/23/05/590822305.db2.gz RJLDTEJXDQGFKO-UUSXEQNQSA-N 2 1 222.376 2.369 20 0 BEADMP CC/C=C\CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879582313 590822311 /nfs/dbraw/zinc/82/23/11/590822311.db2.gz RJLDTEJXDQGFKO-UUSXEQNQSA-N 2 1 222.376 2.369 20 0 BEADMP CC/C=C\CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879582313 590822314 /nfs/dbraw/zinc/82/23/14/590822314.db2.gz RJLDTEJXDQGFKO-UUSXEQNQSA-N 2 1 222.376 2.369 20 0 BEADMP CC/C=C\CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879582313 590822318 /nfs/dbraw/zinc/82/23/18/590822318.db2.gz RJLDTEJXDQGFKO-UUSXEQNQSA-N 2 1 222.376 2.369 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259550 590979821 /nfs/dbraw/zinc/97/98/21/590979821.db2.gz WAPLJJHDWAPPTG-MCIONIFRSA-N 2 1 245.370 2.248 20 0 BEADMP CCSCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473093 591053124 /nfs/dbraw/zinc/05/31/24/591053124.db2.gz PDAYUHBXRVSUMY-UHFFFAOYSA-N 2 1 242.432 2.300 20 0 BEADMP Cc1cc(C[NH2+]CCCCn2cc[nH+]c2C)no1 ZINC000883017706 591515894 /nfs/dbraw/zinc/51/58/94/591515894.db2.gz XMTGSNUFCPMMDS-UHFFFAOYSA-N 2 1 248.330 2.058 20 0 BEADMP C=C/C=C\CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000883260112 591597279 /nfs/dbraw/zinc/59/72/79/591597279.db2.gz KHKXKHVZVFUPFU-WAYWQWQTSA-N 2 1 231.343 2.370 20 0 BEADMP C=C/C=C\CC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000883267774 591600696 /nfs/dbraw/zinc/60/06/96/591600696.db2.gz POWNVQCDJDBCPQ-YOIVVXPQSA-N 2 1 222.376 2.439 20 0 BEADMP C[N@@H+](CCC[NH3+])C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000883418097 591654868 /nfs/dbraw/zinc/65/48/68/591654868.db2.gz XDOVLWWUAPEBEN-CABCVRRESA-N 2 1 248.370 2.187 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883424099 591659383 /nfs/dbraw/zinc/65/93/83/591659383.db2.gz GBEXPGHCUCBGQQ-QJPTWQEYSA-N 2 1 246.345 2.481 20 0 BEADMP C=C/C=C/CC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000883429639 591659924 /nfs/dbraw/zinc/65/99/24/591659924.db2.gz AORYCBUOGPINEW-ZAGQHCIPSA-N 2 1 208.349 2.095 20 0 BEADMP C=C/C=C/CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000883429362 591660055 /nfs/dbraw/zinc/66/00/55/591660055.db2.gz SOXWCNWDZCMVTE-WCYDHSITSA-N 2 1 234.387 2.440 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CC(C)(C)OC1(C)C ZINC000883429844 591662023 /nfs/dbraw/zinc/66/20/23/591662023.db2.gz GFSTXTXNBNSZLP-SRVKXCTJSA-N 2 1 240.391 2.002 20 0 BEADMP C[N@@H+](CC[C@H]1CCCC1(F)F)CC(C)(C)[NH3+] ZINC000883435009 591664260 /nfs/dbraw/zinc/66/42/60/591664260.db2.gz HSWUIZYAPSHHDL-SNVBAGLBSA-N 2 1 234.334 2.481 20 0 BEADMP [NH3+]CCC[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000883462774 591673828 /nfs/dbraw/zinc/67/38/28/591673828.db2.gz ZMJACJQSHCUKFY-FZMZJTMJSA-N 2 1 216.328 2.270 20 0 BEADMP CCc1nccc(NCC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000884528474 591967848 /nfs/dbraw/zinc/96/78/48/591967848.db2.gz PUJCVHOXZCTKMD-LBPRGKRZSA-N 2 1 248.374 2.183 20 0 BEADMP CCc1nccc(NC[C@@H]2CCCC[N@@H+](C)C2)n1 ZINC000884564903 591982082 /nfs/dbraw/zinc/98/20/82/591982082.db2.gz UJGQFHQUSYLSLJ-LBPRGKRZSA-N 2 1 248.374 2.183 20 0 BEADMP Cc1coc(C[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000885926349 592108976 /nfs/dbraw/zinc/10/89/76/592108976.db2.gz BDYUWYUOXWWRGB-UHFFFAOYSA-N 2 1 233.315 2.273 20 0 BEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ncco1 ZINC000886537208 592250847 /nfs/dbraw/zinc/25/08/47/592250847.db2.gz WIKXCDVLCULCOF-QWRGUYRKSA-N 2 1 248.330 2.166 20 0 BEADMP C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000886840150 592359803 /nfs/dbraw/zinc/35/98/03/592359803.db2.gz USGDZIHKHJGHSW-PMPSAXMXSA-N 2 1 248.414 2.498 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886860272 592369888 /nfs/dbraw/zinc/36/98/88/592369888.db2.gz YGXJYBMBYVNFSB-UONOGXRCSA-N 2 1 240.391 2.006 20 0 BEADMP c1cncc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000886872124 592376623 /nfs/dbraw/zinc/37/66/23/592376623.db2.gz JUEXYZYNQXFXKV-HNNXBMFYSA-N 2 1 245.370 2.047 20 0 BEADMP c1cncc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000886872124 592376629 /nfs/dbraw/zinc/37/66/29/592376629.db2.gz JUEXYZYNQXFXKV-HNNXBMFYSA-N 2 1 245.370 2.047 20 0 BEADMP CC(C)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887131289 592448596 /nfs/dbraw/zinc/44/85/96/592448596.db2.gz VABXDWYBWOIKDP-ZDUSSCGKSA-N 2 1 233.359 2.248 20 0 BEADMP CO[C@H]1C[N@@H+](CCCCCCC[NH3+])CC[C@H]1C ZINC000300004928 592500173 /nfs/dbraw/zinc/50/01/73/592500173.db2.gz KSNULFSRECTKKI-KGLIPLIRSA-N 2 1 242.407 2.252 20 0 BEADMP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000300359748 592508222 /nfs/dbraw/zinc/50/82/22/592508222.db2.gz RADYXVCYMWTTSN-YVECIDJPSA-N 2 1 242.432 2.343 20 0 BEADMP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000300359748 592508224 /nfs/dbraw/zinc/50/82/24/592508224.db2.gz RADYXVCYMWTTSN-YVECIDJPSA-N 2 1 242.432 2.343 20 0 BEADMP CSC(C)(C)C[C@@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001258335132 991260411 /nfs/dbraw/zinc/26/04/11/991260411.db2.gz XFIUVFMPDHFRIB-WDEREUQCSA-N 2 1 232.437 2.433 20 0 BEADMP C([C@H]1CCC[NH2+]1)[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000299906266 634399322 /nfs/dbraw/zinc/39/93/22/634399322.db2.gz FCBHVLLQMLDUJW-JHJVBQTASA-N 2 1 208.349 2.003 20 0 BEADMP C[C@@H]1Cc2cc(C[NH2+]CCC[NH+](C)C)ccc2O1 ZINC000124208635 634400167 /nfs/dbraw/zinc/40/01/67/634400167.db2.gz URARFUMXULIXNR-GFCCVEGCSA-N 2 1 248.370 2.051 20 0 BEADMP C[C@@H]1CC[C@@H](C)C1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000925712395 634415702 /nfs/dbraw/zinc/41/57/02/634415702.db2.gz UHWACPWZMRYHEK-VXGBXAGGSA-N 2 1 222.376 2.273 20 0 BEADMP CC1(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CCC1 ZINC000334350285 634456852 /nfs/dbraw/zinc/45/68/52/634456852.db2.gz FCQFLDHFXYBBSD-AWEZNQCLSA-N 2 1 222.376 2.252 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000125552843 634546177 /nfs/dbraw/zinc/54/61/77/634546177.db2.gz KGTSSJOJBNDCKF-SNVBAGLBSA-N 2 1 240.297 2.136 20 0 BEADMP C[C@H]([NH2+]C[C@H]1C=CCC1)c1c[nH+]ccc1N ZINC000925731536 634567332 /nfs/dbraw/zinc/56/73/32/634567332.db2.gz LUUWYROTLVRYDJ-QWRGUYRKSA-N 2 1 217.316 2.111 20 0 BEADMP CC(C)([NH3+])CC[NH2+]Cc1cc(F)ccc1F ZINC000259022878 635233824 /nfs/dbraw/zinc/23/38/24/635233824.db2.gz YWDQRMMZVWXWHP-UHFFFAOYSA-N 2 1 228.286 2.182 20 0 BEADMP C[C@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000225245958 635404621 /nfs/dbraw/zinc/40/46/21/635404621.db2.gz UTROKQBBOIBDKS-AXOHJZAGSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000308799392 631645288 /nfs/dbraw/zinc/64/52/88/631645288.db2.gz KJMGOCHIEQQXGH-MROQNXINSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000308799392 631645292 /nfs/dbraw/zinc/64/52/92/631645292.db2.gz KJMGOCHIEQQXGH-MROQNXINSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCC=CO2)CC[N@@H+]1C ZINC000249032383 635684148 /nfs/dbraw/zinc/68/41/48/635684148.db2.gz LTZFFNQRJSVXTN-HZSPNIEDSA-N 2 1 238.375 2.094 20 0 BEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCC=CO2)CC[N@H+]1C ZINC000249032383 635684154 /nfs/dbraw/zinc/68/41/54/635684154.db2.gz LTZFFNQRJSVXTN-HZSPNIEDSA-N 2 1 238.375 2.094 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCC=CO2)CC[NH+]1C ZINC000249032383 635684159 /nfs/dbraw/zinc/68/41/59/635684159.db2.gz LTZFFNQRJSVXTN-HZSPNIEDSA-N 2 1 238.375 2.094 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCC=CO2)CC[NH+]1C ZINC000249032383 635684163 /nfs/dbraw/zinc/68/41/63/635684163.db2.gz LTZFFNQRJSVXTN-HZSPNIEDSA-N 2 1 238.375 2.094 20 0 BEADMP Cc1cc(C)c(C[NH2+]CC2([NH3+])CC2)c(C)c1 ZINC000259017580 631727521 /nfs/dbraw/zinc/72/75/21/631727521.db2.gz GVSSVPUSOSESKC-UHFFFAOYSA-N 2 1 218.344 2.193 20 0 BEADMP CC[C@H]1CCCC[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000309041662 631826077 /nfs/dbraw/zinc/82/60/77/631826077.db2.gz KIQSUULBFHPFJZ-UWVGGRQHSA-N 2 1 220.307 2.233 20 0 BEADMP CC[C@H]1CCCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000309041662 631826078 /nfs/dbraw/zinc/82/60/78/631826078.db2.gz KIQSUULBFHPFJZ-UWVGGRQHSA-N 2 1 220.307 2.233 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]1C ZINC000309164423 631924893 /nfs/dbraw/zinc/92/48/93/631924893.db2.gz IIDFIMMUBBCNDG-YNEHKIRRSA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]1C ZINC000309164423 631924896 /nfs/dbraw/zinc/92/48/96/631924896.db2.gz IIDFIMMUBBCNDG-YNEHKIRRSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](C)[C@@H]2C)CC[NH2+]1 ZINC000235368175 632028393 /nfs/dbraw/zinc/02/83/93/632028393.db2.gz LDGOYXDXDFYFRM-YIYPIFLZSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CCC1 ZINC000309406550 632049302 /nfs/dbraw/zinc/04/93/02/632049302.db2.gz HZSJLCANTUTURG-NEPJUHHUSA-N 2 1 210.365 2.377 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](CC[NH3+])C2)C1 ZINC000309480281 632419765 /nfs/dbraw/zinc/41/97/65/632419765.db2.gz WNQIBEFJYSKGLK-MCIONIFRSA-N 2 1 224.392 2.483 20 0 BEADMP C[N@@H+](Cc1cccc(O)c1)C1CCC([NH3+])CC1 ZINC000091843664 632503757 /nfs/dbraw/zinc/50/37/57/632503757.db2.gz CLZKCRZEMLYPTO-UHFFFAOYSA-N 2 1 234.343 2.094 20 0 BEADMP CC[C@@H](C)C[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000219753302 632561881 /nfs/dbraw/zinc/56/18/81/632561881.db2.gz QHCBIGODYLZGAA-OLZOCXBDSA-N 2 1 212.381 2.354 20 0 BEADMP C[C@@H]([N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C)C(C)(C)C ZINC000235262735 632592038 /nfs/dbraw/zinc/59/20/38/632592038.db2.gz BIUUQZIYJSHQDQ-UTUOFQBUSA-N 2 1 212.381 2.208 20 0 BEADMP C[C@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000309039017 632621362 /nfs/dbraw/zinc/62/13/62/632621362.db2.gz IJUGDXMJFKIFAQ-UWVGGRQHSA-N 2 1 220.307 2.091 20 0 BEADMP C[C@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000309039017 632621367 /nfs/dbraw/zinc/62/13/67/632621367.db2.gz IJUGDXMJFKIFAQ-UWVGGRQHSA-N 2 1 220.307 2.091 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]1C ZINC000309175356 632664701 /nfs/dbraw/zinc/66/47/01/632664701.db2.gz MNTPQYDAEIMLRD-FRRDWIJNSA-N 2 1 212.381 2.495 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]1C ZINC000309175356 632664703 /nfs/dbraw/zinc/66/47/03/632664703.db2.gz MNTPQYDAEIMLRD-FRRDWIJNSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccnc(Cl)c1 ZINC000151938039 632789516 /nfs/dbraw/zinc/78/95/16/632789516.db2.gz HGHCHVQHDICPMP-JTQLQIEISA-N 2 1 241.766 2.337 20 0 BEADMP CC(C)[NH+](CC[NH2+][C@H](C)C(C)(C)CO)C(C)C ZINC000924555418 632830316 /nfs/dbraw/zinc/83/03/16/632830316.db2.gz HTJBFSKUXWEZCL-CYBMUJFWSA-N 2 1 244.423 2.102 20 0 BEADMP CC(C)[NH+](CC[NH2+][C@@H](C)C(C)(C)CO)C(C)C ZINC000924555423 632830751 /nfs/dbraw/zinc/83/07/51/632830751.db2.gz HTJBFSKUXWEZCL-ZDUSSCGKSA-N 2 1 244.423 2.102 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000235885644 632844691 /nfs/dbraw/zinc/84/46/91/632844691.db2.gz ONZQBUVENBHYQF-LBPRGKRZSA-N 2 1 238.762 2.429 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000235885644 632844693 /nfs/dbraw/zinc/84/46/93/632844693.db2.gz ONZQBUVENBHYQF-LBPRGKRZSA-N 2 1 238.762 2.429 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1Cl ZINC000235887085 632845953 /nfs/dbraw/zinc/84/59/53/632845953.db2.gz ONZQBUVENBHYQF-GFCCVEGCSA-N 2 1 238.762 2.429 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1Cl ZINC000235887085 632845954 /nfs/dbraw/zinc/84/59/54/632845954.db2.gz ONZQBUVENBHYQF-GFCCVEGCSA-N 2 1 238.762 2.429 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1=CCCC1 ZINC000926717964 632866426 /nfs/dbraw/zinc/86/64/26/632866426.db2.gz XOPGQYTVAUBUER-PBWFPOADSA-N 2 1 220.360 2.027 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](C3CC3)C2)CC1 ZINC000894520882 635903045 /nfs/dbraw/zinc/90/30/45/635903045.db2.gz HKAXXSFFFJQZJE-HNNXBMFYSA-N 2 1 236.403 2.450 20 0 BEADMP Cc1ccc(OCC[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000311219480 633085883 /nfs/dbraw/zinc/08/58/83/633085883.db2.gz TZEDIRSHDNEMAG-OAHLLOKOSA-N 2 1 248.370 2.045 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)s1 ZINC000328550514 633773184 /nfs/dbraw/zinc/77/31/84/633773184.db2.gz SJIOQYAINUHIIG-SZZQBSIJSA-N 2 1 248.395 2.143 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000309427223 633917182 /nfs/dbraw/zinc/91/71/82/633917182.db2.gz XFCSFKOTGOBXHV-MELADBBJSA-N 2 1 224.392 2.210 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CC(C(F)F)C1 ZINC000309923852 634045149 /nfs/dbraw/zinc/04/51/49/634045149.db2.gz UIWBFUCCTGGETR-KPPDAEKUSA-N 2 1 234.334 2.350 20 0 BEADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000925619060 634171843 /nfs/dbraw/zinc/17/18/43/634171843.db2.gz KQQQAXMLZMHMMH-NXEZZACHSA-N 2 1 232.318 2.294 20 0 BEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000925619061 634173711 /nfs/dbraw/zinc/17/37/11/634173711.db2.gz KQQQAXMLZMHMMH-UWVGGRQHSA-N 2 1 232.318 2.294 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccsc1Cl ZINC000312745154 634304005 /nfs/dbraw/zinc/30/40/05/634304005.db2.gz MTXDCNFWBYMKNN-SCZZXKLOSA-N 2 1 244.791 2.347 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925689307 634307550 /nfs/dbraw/zinc/30/75/50/634307550.db2.gz CLOBDTVKHHOLEP-FVCCEPFGSA-N 2 1 210.365 2.151 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2csc3ccccc23)CC1 ZINC000259154197 635248036 /nfs/dbraw/zinc/24/80/36/635248036.db2.gz SKVQNFUPEKLDGJ-UHFFFAOYSA-N 2 1 232.352 2.482 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](CCOC2CCCCCC2)C1 ZINC000430947395 636371475 /nfs/dbraw/zinc/37/14/75/636371475.db2.gz DQOGNGWUIMCEOT-CYBMUJFWSA-N 2 1 240.391 2.006 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000866704868 636933980 /nfs/dbraw/zinc/93/39/80/636933980.db2.gz ZAFAXPRKSYZRKG-STQMWFEESA-N 2 1 242.432 2.190 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000041027713 636950386 /nfs/dbraw/zinc/95/03/86/636950386.db2.gz KLMUQWHZPDMFFJ-DZGCQCFKSA-N 2 1 230.355 2.487 20 0 BEADMP [NH3+][C@H]1CCC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000041027713 636950391 /nfs/dbraw/zinc/95/03/91/636950391.db2.gz KLMUQWHZPDMFFJ-DZGCQCFKSA-N 2 1 230.355 2.487 20 0 BEADMP CCO[C@@H](C[NH2+][C@H](CC)C1CCC1)C[NH+](C)C ZINC000926964955 636976123 /nfs/dbraw/zinc/97/61/23/636976123.db2.gz YSANRMIMUYCMSK-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])CC(C)(C)O1 ZINC000041681550 637016268 /nfs/dbraw/zinc/01/62/68/637016268.db2.gz ACPGEJAKXNQNDU-CYBMUJFWSA-N 2 1 242.407 2.395 20 0 BEADMP Cc1cc(C)nc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000903789398 637383745 /nfs/dbraw/zinc/38/37/45/637383745.db2.gz WLZFPKSMIOVVJU-GXTWGEPZSA-N 2 1 247.386 2.115 20 0 BEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCc1cccc(F)c1)C2 ZINC000903841642 637385329 /nfs/dbraw/zinc/38/53/29/637385329.db2.gz YXKSLJXENFAEGE-QEJZJMRPSA-N 2 1 248.345 2.180 20 0 BEADMP CC(C)([NH3+])C[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000904461522 637405912 /nfs/dbraw/zinc/40/59/12/637405912.db2.gz CLUSFLAGHIWHKV-CZXHOFHRSA-N 2 1 222.376 2.092 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000904442662 637411088 /nfs/dbraw/zinc/41/10/88/637411088.db2.gz GEWHYZFIBIXABV-UHFFFAOYSA-N 2 1 246.354 2.056 20 0 BEADMP CCSc1cccc(C[NH2+]CC2([NH3+])CC2)c1 ZINC000904444837 637412670 /nfs/dbraw/zinc/41/26/70/637412670.db2.gz SUGWXCFPFBUTCK-UHFFFAOYSA-N 2 1 236.384 2.380 20 0 BEADMP [NH3+]C1(C[NH2+]C/C=C\c2ccc(F)cc2F)CC1 ZINC000904449859 637414205 /nfs/dbraw/zinc/41/42/05/637414205.db2.gz LWTLMDIGDAPIIU-UPHRSURJSA-N 2 1 238.281 2.059 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2ccccc2C2CC2)CC1 ZINC000904448587 637414790 /nfs/dbraw/zinc/41/47/90/637414790.db2.gz CAGWBMINKWNQMK-UHFFFAOYSA-N 2 1 216.328 2.145 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000904449767 637414963 /nfs/dbraw/zinc/41/49/63/637414963.db2.gz MMGQVOMYSBVGRM-UHFFFAOYSA-N 2 1 244.260 2.286 20 0 BEADMP [NH3+]C1(C[NH2+]C/C=C/c2ccc(F)cc2F)CC1 ZINC000904449857 637415149 /nfs/dbraw/zinc/41/51/49/637415149.db2.gz LWTLMDIGDAPIIU-OWOJBTEDSA-N 2 1 238.281 2.059 20 0 BEADMP COc1cccc2cc(C[NH2+]C3CC([NH3+])C3)oc21 ZINC000906510702 638183871 /nfs/dbraw/zinc/18/38/71/638183871.db2.gz RDTQVSMJCJOEKB-UHFFFAOYSA-N 2 1 246.310 2.021 20 0 BEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(C(F)F)c(F)c2)C1 ZINC000906518460 638188488 /nfs/dbraw/zinc/18/84/88/638188488.db2.gz OGSRFOPADRJQOB-KYZUINATSA-N 2 1 244.260 2.343 20 0 BEADMP CC(C)CC(N)=[NH+]OCC[C@@H]1CCCC[N@@H+]1C ZINC000906500833 638194992 /nfs/dbraw/zinc/19/49/92/638194992.db2.gz OGWSRGHMWLHVBA-LBPRGKRZSA-N 2 1 241.379 2.405 20 0 BEADMP CC(C)CC(N)=[NH+]OCC[C@@H]1CCCC[N@H+]1C ZINC000906500833 638194993 /nfs/dbraw/zinc/19/49/93/638194993.db2.gz OGWSRGHMWLHVBA-LBPRGKRZSA-N 2 1 241.379 2.405 20 0 BEADMP C[N@H+]1CC[C@]2(CC[NH+](CCCC(C)(F)F)C2)C1 ZINC000930554888 639810454 /nfs/dbraw/zinc/81/04/54/639810454.db2.gz JKEZHEKOCIUNHX-ZDUSSCGKSA-N 2 1 246.345 2.449 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@H+](CCCC(C)(F)F)C2)C1 ZINC000930554888 639810456 /nfs/dbraw/zinc/81/04/56/639810456.db2.gz JKEZHEKOCIUNHX-ZDUSSCGKSA-N 2 1 246.345 2.449 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCC(C)(F)F)C2)C1 ZINC000930554888 639810457 /nfs/dbraw/zinc/81/04/57/639810457.db2.gz JKEZHEKOCIUNHX-ZDUSSCGKSA-N 2 1 246.345 2.449 20 0 BEADMP C[C@H](C1CC1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000930602258 639817206 /nfs/dbraw/zinc/81/72/06/639817206.db2.gz OLYWYGRYUYLNBP-TZMCWYRMSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H](C1CC1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000930602258 639817207 /nfs/dbraw/zinc/81/72/07/639817207.db2.gz OLYWYGRYUYLNBP-TZMCWYRMSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H](C1CC1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000930602258 639817208 /nfs/dbraw/zinc/81/72/08/639817208.db2.gz OLYWYGRYUYLNBP-TZMCWYRMSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@@H+]1C[C@]2(C)C[NH+](CCC3CC3)C[C@]2(C)C1 ZINC000931311181 640141083 /nfs/dbraw/zinc/14/10/83/640141083.db2.gz OKOLVMHSCWGXOC-OKILXGFUSA-N 2 1 222.376 2.060 20 0 BEADMP C[N@H+]1C[C@]2(C)C[NH+](CCC3CC3)C[C@]2(C)C1 ZINC000931311181 640141088 /nfs/dbraw/zinc/14/10/88/640141088.db2.gz OKOLVMHSCWGXOC-OKILXGFUSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+]1C[C@]2(C)C[N@H+](CCC3CC3)C[C@]2(C)C1 ZINC000931311181 640141096 /nfs/dbraw/zinc/14/10/96/640141096.db2.gz OKOLVMHSCWGXOC-OKILXGFUSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+]1C[C@]2(C)C[N@@H+](CCC3CC3)C[C@]2(C)C1 ZINC000931311181 640141101 /nfs/dbraw/zinc/14/11/01/640141101.db2.gz OKOLVMHSCWGXOC-OKILXGFUSA-N 2 1 222.376 2.060 20 0 BEADMP CC(C)=CC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931307471 640142868 /nfs/dbraw/zinc/14/28/68/640142868.db2.gz LABRGGPJACBDSV-OKILXGFUSA-N 2 1 222.376 2.226 20 0 BEADMP CC(C)=CC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931307471 640142875 /nfs/dbraw/zinc/14/28/75/640142875.db2.gz LABRGGPJACBDSV-OKILXGFUSA-N 2 1 222.376 2.226 20 0 BEADMP CC(C)=CC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931307471 640142879 /nfs/dbraw/zinc/14/28/79/640142879.db2.gz LABRGGPJACBDSV-OKILXGFUSA-N 2 1 222.376 2.226 20 0 BEADMP CC(C)=CC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931307471 640142881 /nfs/dbraw/zinc/14/28/81/640142881.db2.gz LABRGGPJACBDSV-OKILXGFUSA-N 2 1 222.376 2.226 20 0 BEADMP CC(C)=CC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931307470 640144362 /nfs/dbraw/zinc/14/43/62/640144362.db2.gz LABRGGPJACBDSV-KBPBESRZSA-N 2 1 222.376 2.226 20 0 BEADMP CN1C[C@]2(C)C[N@@H+](CC3CCCC3)C[C@]2(C)C1 ZINC000931310508 640146046 /nfs/dbraw/zinc/14/60/46/640146046.db2.gz ZEWVPXWHYNWECB-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP C[N@@H+]1C[C@]2(C)C[NH+](CC3CCCC3)C[C@]2(C)C1 ZINC000931310508 640146052 /nfs/dbraw/zinc/14/60/52/640146052.db2.gz ZEWVPXWHYNWECB-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP C[N@H+]1C[C@]2(C)C[NH+](CC3CCCC3)C[C@]2(C)C1 ZINC000931310508 640146060 /nfs/dbraw/zinc/14/60/60/640146060.db2.gz ZEWVPXWHYNWECB-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1C[C@]2(C)C[N@H+](CC3CCCC3)C[C@]2(C)C1 ZINC000931310508 640146064 /nfs/dbraw/zinc/14/60/64/640146064.db2.gz ZEWVPXWHYNWECB-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1C[C@]2(C)C[N@@H+](CC3CCCC3)C[C@]2(C)C1 ZINC000931310508 640146070 /nfs/dbraw/zinc/14/60/70/640146070.db2.gz ZEWVPXWHYNWECB-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP CC(C)CC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931308498 640147145 /nfs/dbraw/zinc/14/71/45/640147145.db2.gz OHWSPMPHYRHKJS-OKILXGFUSA-N 2 1 224.392 2.306 20 0 BEADMP CC(C)CC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931308498 640147151 /nfs/dbraw/zinc/14/71/51/640147151.db2.gz OHWSPMPHYRHKJS-OKILXGFUSA-N 2 1 224.392 2.306 20 0 BEADMP CC(C)CC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931308498 640147162 /nfs/dbraw/zinc/14/71/62/640147162.db2.gz OHWSPMPHYRHKJS-OKILXGFUSA-N 2 1 224.392 2.306 20 0 BEADMP CC(C)CC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931308498 640147170 /nfs/dbraw/zinc/14/71/70/640147170.db2.gz OHWSPMPHYRHKJS-OKILXGFUSA-N 2 1 224.392 2.306 20 0 BEADMP C[NH+]1C[C@@]2(C)C[NH+](CC3(C)CCC3)C[C@]2(C)C1 ZINC000931313803 640151590 /nfs/dbraw/zinc/15/15/90/640151590.db2.gz FZXRWVOVNADETL-GJZGRUSLSA-N 2 1 236.403 2.450 20 0 BEADMP C=C/C=C/CC[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931317180 640155333 /nfs/dbraw/zinc/15/53/33/640155333.db2.gz NLACSIXOKUIDSP-JRIJJQDJSA-N 2 1 234.387 2.392 20 0 BEADMP C=C/C=C/CC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931317180 640155338 /nfs/dbraw/zinc/15/53/38/640155338.db2.gz NLACSIXOKUIDSP-JRIJJQDJSA-N 2 1 234.387 2.392 20 0 BEADMP C=C/C=C/CC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931317180 640155342 /nfs/dbraw/zinc/15/53/42/640155342.db2.gz NLACSIXOKUIDSP-JRIJJQDJSA-N 2 1 234.387 2.392 20 0 BEADMP C=C/C=C/CC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931317180 640155347 /nfs/dbraw/zinc/15/53/47/640155347.db2.gz NLACSIXOKUIDSP-JRIJJQDJSA-N 2 1 234.387 2.392 20 0 BEADMP C=C/C=C/CC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931317180 640155350 /nfs/dbraw/zinc/15/53/50/640155350.db2.gz NLACSIXOKUIDSP-JRIJJQDJSA-N 2 1 234.387 2.392 20 0 BEADMP C[NH+](C)C1(C)CC[NH+](CCc2cccnc2)CC1 ZINC000931357320 640169984 /nfs/dbraw/zinc/16/99/84/640169984.db2.gz WIBBJEDVSJNOAE-UHFFFAOYSA-N 2 1 247.386 2.040 20 0 BEADMP COc1cccc(C[N@@H+](C)C2CCC([NH3+])CC2)c1 ZINC000055144475 640440098 /nfs/dbraw/zinc/44/00/98/640440098.db2.gz JWBAEPMAUOTDCH-UHFFFAOYSA-N 2 1 248.370 2.397 20 0 BEADMP Cc1ccc(C[N@H+](C)C2CCC([NH3+])CC2)nc1 ZINC000156606096 640470216 /nfs/dbraw/zinc/47/02/16/640470216.db2.gz VUXQRPQCVHPQLO-UHFFFAOYSA-N 2 1 233.359 2.092 20 0 BEADMP CCCCCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000164646012 640493190 /nfs/dbraw/zinc/49/31/90/640493190.db2.gz JHSGXEFDUZQBCQ-CHWSQXEVSA-N 2 1 212.381 2.483 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000165418601 640575541 /nfs/dbraw/zinc/57/55/41/640575541.db2.gz HAPWFINZTKCUBV-CHWSQXEVSA-N 2 1 212.381 2.339 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000223931430 640594528 /nfs/dbraw/zinc/59/45/28/640594528.db2.gz HGLTZSKYRSLMIQ-QPSCCSFWSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000224206845 640605736 /nfs/dbraw/zinc/60/57/36/640605736.db2.gz AXCCSGLZYHMTOD-STQMWFEESA-N 2 1 218.344 2.071 20 0 BEADMP C[N@H+]1C[C@@H]2C[NH+](CCc3ccccc3)C[C@]2(C)C1 ZINC000933736023 640756138 /nfs/dbraw/zinc/75/61/38/640756138.db2.gz QKZRWESRUXUWEN-CVEARBPZSA-N 2 1 244.382 2.113 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+](CCc3ccccc3)C[C@]2(C)C1 ZINC000933736023 640756142 /nfs/dbraw/zinc/75/61/42/640756142.db2.gz QKZRWESRUXUWEN-CVEARBPZSA-N 2 1 244.382 2.113 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](CCc3ccccc3)C[C@]2(C)C1 ZINC000933736023 640756145 /nfs/dbraw/zinc/75/61/45/640756145.db2.gz QKZRWESRUXUWEN-CVEARBPZSA-N 2 1 244.382 2.113 20 0 BEADMP CC(C)CCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734054 640756855 /nfs/dbraw/zinc/75/68/55/640756855.db2.gz NVRYDDAZGAJCSA-UONOGXRCSA-N 2 1 224.392 2.306 20 0 BEADMP CC(C)CCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933734054 640756857 /nfs/dbraw/zinc/75/68/57/640756857.db2.gz NVRYDDAZGAJCSA-UONOGXRCSA-N 2 1 224.392 2.306 20 0 BEADMP CC(C)CCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933734054 640756866 /nfs/dbraw/zinc/75/68/66/640756866.db2.gz NVRYDDAZGAJCSA-UONOGXRCSA-N 2 1 224.392 2.306 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1C ZINC000227055474 640812998 /nfs/dbraw/zinc/81/29/98/640812998.db2.gz MANXCNSPESYZGM-JSGCOSHPSA-N 2 1 248.370 2.173 20 0 BEADMP CC[N@@H+](CC1CCC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000230321326 641047812 /nfs/dbraw/zinc/04/78/12/641047812.db2.gz RSZNYUIVEAMPQU-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP CCCCC1([NH2+]CCc2c[nH+]cn2C)CC1 ZINC000934201266 641099686 /nfs/dbraw/zinc/09/96/86/641099686.db2.gz UFTFCWPOFLNMHR-UHFFFAOYSA-N 2 1 221.348 2.275 20 0 BEADMP CC1(C)CC[N@@H+](CC2CC[NH2+]CC2)CCS1 ZINC000231047914 641131885 /nfs/dbraw/zinc/13/18/85/641131885.db2.gz BDMUOEXHAUOXDN-UHFFFAOYSA-N 2 1 242.432 2.204 20 0 BEADMP CCc1cnc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000234256218 641159071 /nfs/dbraw/zinc/15/90/71/641159071.db2.gz SOYYJCFXFQPUDN-UWVGGRQHSA-N 2 1 239.388 2.065 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000929697056 641402568 /nfs/dbraw/zinc/40/25/68/641402568.db2.gz QEPSXSFYVCRKKX-KFWWJZLASA-N 2 1 236.403 2.450 20 0 BEADMP COc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000261588400 641452667 /nfs/dbraw/zinc/45/26/67/641452667.db2.gz SJIWOWGPVPNLHZ-JTQLQIEISA-N 2 1 222.332 2.083 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C2C(C)(C)C2(C)C)CC[N@@H+]1C ZINC000156147239 641597337 /nfs/dbraw/zinc/59/73/37/641597337.db2.gz BESJBNIUUYHNKI-WDEREUQCSA-N 2 1 224.392 2.493 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C2C(C)(C)C2(C)C)CC[N@H+]1C ZINC000156147239 641597345 /nfs/dbraw/zinc/59/73/45/641597345.db2.gz BESJBNIUUYHNKI-WDEREUQCSA-N 2 1 224.392 2.493 20 0 BEADMP Cc1ccc(CC[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000076679628 641819960 /nfs/dbraw/zinc/81/99/60/641819960.db2.gz UZTCGNBXKHLGJL-HNNXBMFYSA-N 2 1 232.371 2.208 20 0 BEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCC=CO2)CC[N@@H+]1C ZINC000191084889 641900541 /nfs/dbraw/zinc/90/05/41/641900541.db2.gz LTZFFNQRJSVXTN-MCIONIFRSA-N 2 1 238.375 2.094 20 0 BEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCC=CO2)CC[N@H+]1C ZINC000191084889 641900545 /nfs/dbraw/zinc/90/05/45/641900545.db2.gz LTZFFNQRJSVXTN-MCIONIFRSA-N 2 1 238.375 2.094 20 0 BEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCC=CO2)CC[NH+]1C ZINC000191084889 641900551 /nfs/dbraw/zinc/90/05/51/641900551.db2.gz LTZFFNQRJSVXTN-MCIONIFRSA-N 2 1 238.375 2.094 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCC=CO2)CC[NH+]1C ZINC000191084889 641900554 /nfs/dbraw/zinc/90/05/54/641900554.db2.gz LTZFFNQRJSVXTN-MCIONIFRSA-N 2 1 238.375 2.094 20 0 BEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCc1cccs1 ZINC000069721204 642411419 /nfs/dbraw/zinc/41/14/19/642411419.db2.gz HWOBIDWYDQEPSB-GFCCVEGCSA-N 2 1 238.400 2.494 20 0 BEADMP CC[C@@H](C)C[NH2+]C[C@@H](CC)[NH+]1CCCC1 ZINC000093056123 642455441 /nfs/dbraw/zinc/45/54/41/642455441.db2.gz CZRZOJNNKSOWPF-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP CC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)C1CCCCC1 ZINC000233486854 642674195 /nfs/dbraw/zinc/67/41/95/642674195.db2.gz XPJGGBSIPJRFKC-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000305925609 642712341 /nfs/dbraw/zinc/71/23/41/642712341.db2.gz CLNBQWTZTQYVEC-RYUDHWBXSA-N 2 1 246.345 2.496 20 0 BEADMP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000305925609 642712349 /nfs/dbraw/zinc/71/23/49/642712349.db2.gz CLNBQWTZTQYVEC-RYUDHWBXSA-N 2 1 246.345 2.496 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000252789307 643116658 /nfs/dbraw/zinc/11/66/58/643116658.db2.gz ZOYKUHONFDUCMS-STQMWFEESA-N 2 1 242.432 2.204 20 0 BEADMP C[N@@H+]1CCC[C@@H]2C[NH+](C/C=C\Cl)CC[C@H]21 ZINC000255048100 643282130 /nfs/dbraw/zinc/28/21/30/643282130.db2.gz XRNXTWPJMRBORC-BCIKPAMSSA-N 2 1 228.767 2.155 20 0 BEADMP C[N@H+]1CCC[C@@H]2C[NH+](C/C=C\Cl)CC[C@H]21 ZINC000255048100 643282133 /nfs/dbraw/zinc/28/21/33/643282133.db2.gz XRNXTWPJMRBORC-BCIKPAMSSA-N 2 1 228.767 2.155 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@H+](C/C=C\Cl)CC[C@H]21 ZINC000255048100 643282139 /nfs/dbraw/zinc/28/21/39/643282139.db2.gz XRNXTWPJMRBORC-BCIKPAMSSA-N 2 1 228.767 2.155 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C/C=C\Cl)CC[C@H]21 ZINC000255048100 643282141 /nfs/dbraw/zinc/28/21/41/643282141.db2.gz XRNXTWPJMRBORC-BCIKPAMSSA-N 2 1 228.767 2.155 20 0 BEADMP N[C@H]1C[C@H]([NH2+]CCCCCC[NH3+])c2ccccc21 ZINC000843344088 643327805 /nfs/dbraw/zinc/32/78/05/643327805.db2.gz QAEBFSLSWHGMJC-GJZGRUSLSA-N 2 1 247.386 2.240 20 0 BEADMP CC[C@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000234072419 643424596 /nfs/dbraw/zinc/42/45/96/643424596.db2.gz PBDPOLWDOLGFDK-AGIUHOORSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085014515 643523238 /nfs/dbraw/zinc/52/32/38/643523238.db2.gz FRXXXTIBVSWYTK-FRRDWIJNSA-N 2 1 210.365 2.378 20 0 BEADMP [NH3+]C[C@@H]([NH2+]C1CCCC1)C1CCCCC1 ZINC000083762330 643623832 /nfs/dbraw/zinc/62/38/32/643623832.db2.gz ZKNYCMIZHLLFCY-CYBMUJFWSA-N 2 1 210.365 2.426 20 0 BEADMP C[N@H+](Cc1cccs1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085014617 643678591 /nfs/dbraw/zinc/67/85/91/643678591.db2.gz YYEBKMSXEGBVQK-MNOVXSKESA-N 2 1 224.373 2.307 20 0 BEADMP CCCC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000085015176 643678936 /nfs/dbraw/zinc/67/89/36/643678936.db2.gz SMNPMSCYZRHZPP-NEPJUHHUSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@@H]([N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1)C(C)(C)C ZINC000085015399 643679173 /nfs/dbraw/zinc/67/91/73/643679173.db2.gz ZIBDKXXTGUPSRV-UTUOFQBUSA-N 2 1 212.381 2.480 20 0 BEADMP CCO[C@H](C[NH2+]CC1CCCCC1)C[NH+](C)C ZINC000922758751 644088148 /nfs/dbraw/zinc/08/81/48/644088148.db2.gz DABFWORPHFZIKM-CQSZACIVSA-N 2 1 242.407 2.123 20 0 BEADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@H](C)C1)C[NH+](C)C ZINC000922761800 644089495 /nfs/dbraw/zinc/08/94/95/644089495.db2.gz TZFCWZZJHLBEHW-BFHYXJOUSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@H](C)C[N@@H+](CC)CCC[NH2+]C1CC1 ZINC000086437506 644134209 /nfs/dbraw/zinc/13/42/09/644134209.db2.gz AQKVJQJPXSFKLR-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP C[N@@H+](CCC[NH2+]C1CC1)C1Cc2ccccc2C1 ZINC000923308419 644340510 /nfs/dbraw/zinc/34/05/10/644340510.db2.gz BUSDFZOWLDRMMV-UHFFFAOYSA-N 2 1 244.382 2.228 20 0 BEADMP C[N@@H+](CCC[NH2+]C1CC1)C(C1CC1)C1CC1 ZINC000923310523 644345836 /nfs/dbraw/zinc/34/58/36/644345836.db2.gz IOZZAFOZELZNHK-UHFFFAOYSA-N 2 1 222.376 2.249 20 0 BEADMP c1ccc([C@@H]2CCC[N@H+]2CCC[NH2+]C2CC2)nc1 ZINC000923320766 644350755 /nfs/dbraw/zinc/35/07/55/644350755.db2.gz DZAQKMBGSABYGF-HNNXBMFYSA-N 2 1 245.370 2.361 20 0 BEADMP c1ccc([C@@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)nc1 ZINC000923320766 644350758 /nfs/dbraw/zinc/35/07/58/644350758.db2.gz DZAQKMBGSABYGF-HNNXBMFYSA-N 2 1 245.370 2.361 20 0 BEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCc3cccc(F)c3)C[C@@H]12 ZINC000923331778 644361230 /nfs/dbraw/zinc/36/12/30/644361230.db2.gz ICQRRIFGFUIMFO-NWANDNLSSA-N 2 1 248.345 2.037 20 0 BEADMP c1ccc([C@@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)nc1 ZINC000923370230 644382230 /nfs/dbraw/zinc/38/22/30/644382230.db2.gz SPMIGTRPFIOVLX-CYBMUJFWSA-N 2 1 245.370 2.013 20 0 BEADMP c1ccc([C@@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)nc1 ZINC000923370230 644382235 /nfs/dbraw/zinc/38/22/35/644382235.db2.gz SPMIGTRPFIOVLX-CYBMUJFWSA-N 2 1 245.370 2.013 20 0 BEADMP [NH3+]CC[C@H]1CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000923480688 644459353 /nfs/dbraw/zinc/45/93/53/644459353.db2.gz ZLRFWHRQACVXHC-NWDGAFQWSA-N 2 1 246.345 2.483 20 0 BEADMP C=C/C=C\CC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923488341 644462230 /nfs/dbraw/zinc/46/22/30/644462230.db2.gz DSKXQBGNUUTHQK-DIABFLQPSA-N 2 1 208.349 2.035 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CC(C)(C)C2)CC[C@@H]1C[NH3+] ZINC000923489831 644464899 /nfs/dbraw/zinc/46/48/99/644464899.db2.gz LQHWOVBKBYSZJF-DGCLKSJQSA-N 2 1 224.392 2.339 20 0 BEADMP C[C@@H]1C[N@@H+](CCCC(C)(F)F)CC[C@H]1C[NH3+] ZINC000923490521 644465309 /nfs/dbraw/zinc/46/53/09/644465309.db2.gz DFJJVZFHTRINEH-MNOVXSKESA-N 2 1 234.334 2.339 20 0 BEADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]2C(C)(C)C)CC[C@H]1C[NH3+] ZINC000923493261 644468518 /nfs/dbraw/zinc/46/85/18/644468518.db2.gz QZUBRFLZITWPMW-YVECIDJPSA-N 2 1 224.392 2.338 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c(C)n1 ZINC000923494914 644469710 /nfs/dbraw/zinc/46/97/10/644469710.db2.gz QMGWSQYMFXMAAQ-FZMZJTMJSA-N 2 1 247.386 2.115 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923498718 644472288 /nfs/dbraw/zinc/47/22/88/644472288.db2.gz JJDHUWYLLHNXIQ-DZGCQCFKSA-N 2 1 232.371 2.412 20 0 BEADMP COc1cccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923498550 644472989 /nfs/dbraw/zinc/47/29/89/644472989.db2.gz OTXWEAPOSASSOA-JSGCOSHPSA-N 2 1 248.370 2.112 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccccc2F)CC[C@H]1C[NH3+] ZINC000923504202 644475955 /nfs/dbraw/zinc/47/59/55/644475955.db2.gz PWNHQOLPDZCBNO-RYUDHWBXSA-N 2 1 236.334 2.242 20 0 BEADMP Cc1ccccc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923505108 644476258 /nfs/dbraw/zinc/47/62/58/644476258.db2.gz YMOLSVUNATYSFB-UONOGXRCSA-N 2 1 232.371 2.412 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923519224 644482635 /nfs/dbraw/zinc/48/26/35/644482635.db2.gz KROGKMGHGYDQGV-LSDHHAIUSA-N 2 1 230.355 2.036 20 0 BEADMP C(C1CCCCCC1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521716 644483184 /nfs/dbraw/zinc/48/31/84/644483184.db2.gz QJECSOILPRQEMW-LSDHHAIUSA-N 2 1 236.403 2.498 20 0 BEADMP CC[C@H](C)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923534213 644490274 /nfs/dbraw/zinc/49/02/74/644490274.db2.gz RNVGWFNPDIKXFZ-STQMWFEESA-N 2 1 210.365 2.251 20 0 BEADMP C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000091540778 644630088 /nfs/dbraw/zinc/63/00/88/644630088.db2.gz JZQFTNYYUYEYBY-OCCSQVGLSA-N 2 1 236.334 2.385 20 0 BEADMP COc1cccc(C[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000091546093 644630123 /nfs/dbraw/zinc/63/01/23/644630123.db2.gz XKCHYJJUBVMDGF-KGLIPLIRSA-N 2 1 248.370 2.254 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000793241802 644801608 /nfs/dbraw/zinc/80/16/08/644801608.db2.gz XVQSRTDFIBTDLH-MGPQQGTHSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000252172584 644840157 /nfs/dbraw/zinc/84/01/57/644840157.db2.gz OGSNQQZUAJLEKT-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@@H]1C ZINC000252172585 644840638 /nfs/dbraw/zinc/84/06/38/644840638.db2.gz OGSNQQZUAJLEKT-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000252172586 644841032 /nfs/dbraw/zinc/84/10/32/644841032.db2.gz OGSNQQZUAJLEKT-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@]1(C[N@H+]2CCC3(CCCC3)C2)CC[NH2+]C1 ZINC000304419084 644904576 /nfs/dbraw/zinc/90/45/76/644904576.db2.gz QSJMHKIAYMLQJG-ZDUSSCGKSA-N 2 1 222.376 2.252 20 0 BEADMP C[C@@H]1CC[N@@H+](CCc2cccs2)C[C@H]1C[NH3+] ZINC000253202449 644944007 /nfs/dbraw/zinc/94/40/07/644944007.db2.gz YXIKOPUIGYRLET-VXGBXAGGSA-N 2 1 238.400 2.207 20 0 BEADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ncco1 ZINC000926558368 645279258 /nfs/dbraw/zinc/27/92/58/645279258.db2.gz HGWMLFWQDXRIES-LLVKDONJSA-N 2 1 237.347 2.200 20 0 BEADMP C[C@@H]([NH3+])[C@H]([NH2+]CC1CCC1)c1ccccc1 ZINC000925485473 645344994 /nfs/dbraw/zinc/34/49/94/645344994.db2.gz NOBKYXQAFHYGOZ-RISCZKNCSA-N 2 1 218.344 2.465 20 0 BEADMP C([NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2)[C@H]1CCCC12CC2 ZINC000926775267 645422412 /nfs/dbraw/zinc/42/24/12/645422412.db2.gz HOUPJIVMPZMZFV-BFHYXJOUSA-N 2 1 234.387 2.251 20 0 BEADMP C([NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2)[C@H]1CCCC12CC2 ZINC000926775267 645422421 /nfs/dbraw/zinc/42/24/21/645422421.db2.gz HOUPJIVMPZMZFV-BFHYXJOUSA-N 2 1 234.387 2.251 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCC[C@@H]1F ZINC000926787673 645432301 /nfs/dbraw/zinc/43/23/01/645432301.db2.gz ZEHQOHPLPOXMLO-IZXDZPFWSA-N 2 1 240.366 2.197 20 0 BEADMP CCO[C@@H](C[NH2+][C@H](C)CCC(C)C)C[NH+](C)C ZINC000926965939 645500608 /nfs/dbraw/zinc/50/06/08/645500608.db2.gz UENUSJXXURZGMP-KGLIPLIRSA-N 2 1 244.423 2.367 20 0 BEADMP CCc1cc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc[nH+]1 ZINC000872779763 645769455 /nfs/dbraw/zinc/76/94/55/645769455.db2.gz TUCARJRVVRZZLD-CABCVRRESA-N 2 1 245.370 2.317 20 0 BEADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccns2)C1 ZINC000924704451 646092324 /nfs/dbraw/zinc/09/23/24/646092324.db2.gz DTFJLYTWIHTOAC-WDEREUQCSA-N 2 1 239.388 2.136 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccns2)C1 ZINC000924704451 646092329 /nfs/dbraw/zinc/09/23/29/646092329.db2.gz DTFJLYTWIHTOAC-WDEREUQCSA-N 2 1 239.388 2.136 20 0 BEADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccns2)C1 ZINC000924704450 646093932 /nfs/dbraw/zinc/09/39/32/646093932.db2.gz DTFJLYTWIHTOAC-QWRGUYRKSA-N 2 1 239.388 2.136 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccns2)C1 ZINC000924704450 646093936 /nfs/dbraw/zinc/09/39/36/646093936.db2.gz DTFJLYTWIHTOAC-QWRGUYRKSA-N 2 1 239.388 2.136 20 0 BEADMP C[C@H]([NH3+])[C@H](NC[C@]1(C)CCOC1)c1ccccc1 ZINC000925489470 646298593 /nfs/dbraw/zinc/29/85/93/646298593.db2.gz ZECKEFPINOMOFT-QEJZJMRPSA-N 2 1 248.370 2.091 20 0 BEADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@]1(C)CCOC1)c1ccccc1 ZINC000925489470 646298598 /nfs/dbraw/zinc/29/85/98/646298598.db2.gz ZECKEFPINOMOFT-QEJZJMRPSA-N 2 1 248.370 2.091 20 0 BEADMP C1CCC2(C1)[NH2+]CC[C@@H]2[NH2+][C@H]1CCCSC1 ZINC000925532956 646320307 /nfs/dbraw/zinc/32/03/07/646320307.db2.gz ZNTOQADOADUONW-RYUDHWBXSA-N 2 1 240.416 2.146 20 0 BEADMP C[C@@H]([NH3+])[C@@H]([NH2+]CC1CC1)c1ccccc1 ZINC000925536081 646321169 /nfs/dbraw/zinc/32/11/69/646321169.db2.gz MURQPEHPFIOIDI-ZWNOBZJWSA-N 2 1 204.317 2.075 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000929791585 646322825 /nfs/dbraw/zinc/32/28/25/646322825.db2.gz UBGVYPLTJLJZAM-MJBXVCDLSA-N 2 1 224.392 2.306 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000929791585 646322833 /nfs/dbraw/zinc/32/28/33/646322833.db2.gz UBGVYPLTJLJZAM-MJBXVCDLSA-N 2 1 224.392 2.306 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000929791585 646322838 /nfs/dbraw/zinc/32/28/38/646322838.db2.gz UBGVYPLTJLJZAM-MJBXVCDLSA-N 2 1 224.392 2.306 20 0 BEADMP Cc1cccc(CC[NH2+][C@H]2CC[NH2+]C2(C)C)c1 ZINC000925547519 646326721 /nfs/dbraw/zinc/32/67/21/646326721.db2.gz OXBNEQJOBRPQCI-AWEZNQCLSA-N 2 1 232.371 2.268 20 0 BEADMP C[C@@H]([NH3+])[C@H]([NH2+]CC1CCOCC1)c1ccccc1 ZINC000925546364 646327340 /nfs/dbraw/zinc/32/73/40/646327340.db2.gz KHXIZYULRAQXMP-DOMZBBRYSA-N 2 1 248.370 2.091 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCc1cccs1 ZINC000925629277 646373956 /nfs/dbraw/zinc/37/39/56/646373956.db2.gz IKDOCQZAKYUZPX-DGCLKSJQSA-N 2 1 238.400 2.411 20 0 BEADMP C1[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C12CCCC2 ZINC000925652696 646391754 /nfs/dbraw/zinc/39/17/54/646391754.db2.gz RXHVAAYHYUAPJX-NEPJUHHUSA-N 2 1 220.360 2.193 20 0 BEADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@H]1CC12CCCC2 ZINC000925651477 646392681 /nfs/dbraw/zinc/39/26/81/646392681.db2.gz DGYWOMVWZAJFQP-MNOVXSKESA-N 2 1 208.349 2.049 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000925666719 646398535 /nfs/dbraw/zinc/39/85/35/646398535.db2.gz QNNKUJMNQWXRAE-IUCAKERBSA-N 2 1 238.297 2.305 20 0 BEADMP CC/C=C/C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925682165 646409625 /nfs/dbraw/zinc/40/96/25/646409625.db2.gz UJRVHLDYNJRTDX-MJRJWQSSSA-N 2 1 208.349 2.217 20 0 BEADMP CC(C)[C@@H]([NH3+])CN[C@H](CCC[NH3+])c1ccccc1 ZINC000925694255 646420182 /nfs/dbraw/zinc/42/01/82/646420182.db2.gz RMJOVGIIRFCWRO-LSDHHAIUSA-N 2 1 249.402 2.040 20 0 BEADMP C1=C(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CCC1 ZINC000925705415 646429591 /nfs/dbraw/zinc/42/95/91/646429591.db2.gz HWCWTJHIDZWXMT-ZDUSSCGKSA-N 2 1 220.360 2.361 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000925708340 646433151 /nfs/dbraw/zinc/43/31/51/646433151.db2.gz SIIAZEBTZGVTED-LPEHRKFASA-N 2 1 232.318 2.008 20 0 BEADMP CCSC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925707633 646433179 /nfs/dbraw/zinc/43/31/79/646433179.db2.gz PMQXAUSWEFJUKN-LLVKDONJSA-N 2 1 240.416 2.146 20 0 BEADMP C[C@H](CCCC[NH3+])[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925711826 646436718 /nfs/dbraw/zinc/43/67/18/646436718.db2.gz SJWCDQQVADYOBC-IPYPFGDCSA-N 3 1 249.402 2.182 20 0 BEADMP C[C@H](CCCC[NH3+])N[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925711826 646436724 /nfs/dbraw/zinc/43/67/24/646436724.db2.gz SJWCDQQVADYOBC-IPYPFGDCSA-N 2 1 249.402 2.182 20 0 BEADMP c1coc(CCC[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000925715310 646440481 /nfs/dbraw/zinc/44/04/81/646440481.db2.gz GMHUTUQZKUGADF-ZDUSSCGKSA-N 2 1 234.343 2.086 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCC[C@H]1C=CCC1 ZINC000925731891 646456696 /nfs/dbraw/zinc/45/66/96/646456696.db2.gz VVQLHXRADDBQAR-MELADBBJSA-N 2 1 222.376 2.463 20 0 BEADMP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c(Cl)n1 ZINC000925763831 646466547 /nfs/dbraw/zinc/46/65/47/646466547.db2.gz FGFMWAYPQZJQHD-SCZZXKLOSA-N 2 1 241.766 2.259 20 0 BEADMP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c(Cl)n1 ZINC000925763829 646467107 /nfs/dbraw/zinc/46/71/07/646467107.db2.gz FGFMWAYPQZJQHD-PSASIEDQSA-N 2 1 241.766 2.259 20 0 BEADMP C[C@@H](C1CC1)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000930170881 646472342 /nfs/dbraw/zinc/47/23/42/646472342.db2.gz HVUBKRSGQZBINM-LBPRGKRZSA-N 2 1 222.376 2.345 20 0 BEADMP C[C@@H](C1CC1)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000930170881 646472346 /nfs/dbraw/zinc/47/23/46/646472346.db2.gz HVUBKRSGQZBINM-LBPRGKRZSA-N 2 1 222.376 2.345 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)o1 ZINC000925788699 646484953 /nfs/dbraw/zinc/48/49/53/646484953.db2.gz AZHKZIRMQYWRPQ-USWWRNFRSA-N 2 1 222.332 2.094 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000925804584 646488134 /nfs/dbraw/zinc/48/81/34/646488134.db2.gz JXQVHROJBOADDR-ITGHMWBKSA-N 2 1 222.376 2.010 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1(C)CC1 ZINC000926328182 646617578 /nfs/dbraw/zinc/61/75/78/646617578.db2.gz YHSNQELFEHMONC-FUNVUKJBSA-N 2 1 222.376 2.106 20 0 BEADMP CC(C)CC[NH+]1CCC([NH2+]CCF)CC1 ZINC000926348736 646623648 /nfs/dbraw/zinc/62/36/48/646623648.db2.gz ONWNHQARNMTFQD-UHFFFAOYSA-N 2 1 216.344 2.056 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCC1CC=CC1 ZINC000724130645 711563776 /nfs/dbraw/zinc/56/37/76/711563776.db2.gz IWHIFOKWKFIZDN-YPMHNXCESA-N 2 1 208.349 2.073 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000382398351 711601663 /nfs/dbraw/zinc/60/16/63/711601663.db2.gz OZAKLGRPFRRQMX-MQYQWHSLSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000382398351 711601665 /nfs/dbraw/zinc/60/16/65/711601665.db2.gz OZAKLGRPFRRQMX-MQYQWHSLSA-N 2 1 224.392 2.493 20 0 BEADMP CC[C@H]1C[N@@H+](CCCC(C)(F)F)CC[C@@H]1[NH3+] ZINC000718709723 711663265 /nfs/dbraw/zinc/66/32/65/711663265.db2.gz UZEIRUQDIMJTKU-QWRGUYRKSA-N 2 1 234.334 2.481 20 0 BEADMP C[C@H]1CCCC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000703251662 712070134 /nfs/dbraw/zinc/07/01/34/712070134.db2.gz LLXDAIPUPMVANR-UWVGGRQHSA-N 2 1 220.307 2.091 20 0 BEADMP C[C@H]1CCCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000703251662 712070136 /nfs/dbraw/zinc/07/01/36/712070136.db2.gz LLXDAIPUPMVANR-UWVGGRQHSA-N 2 1 220.307 2.091 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCSC2)CC[N@H+]1C ZINC000704789767 712117036 /nfs/dbraw/zinc/11/70/36/712117036.db2.gz HROPLSPMRSBFAK-UPJWGTAASA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCSC2)CC[N@H+]1C ZINC000704789760 712116793 /nfs/dbraw/zinc/11/67/93/712116793.db2.gz HROPLSPMRSBFAK-AGIUHOORSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000706428791 712146185 /nfs/dbraw/zinc/14/61/85/712146185.db2.gz AQLYKZISHOXWTA-FRRDWIJNSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708188039 712183659 /nfs/dbraw/zinc/18/36/59/712183659.db2.gz XFNPIURGBFOAOT-JHJVBQTASA-N 2 1 212.381 2.195 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H](C)C2)C[C@H]1C[NH3+] ZINC000708208570 712184131 /nfs/dbraw/zinc/18/41/31/712184131.db2.gz YKJLQUOWKUPZSJ-REWJHTLYSA-N 2 1 224.392 2.339 20 0 BEADMP CC1(C)CO[C@H](C[N@@H+]2CCCCC[C@@H]([NH3+])C2)C1 ZINC000708337909 712189492 /nfs/dbraw/zinc/18/94/92/712189492.db2.gz QAWJTSAPKBPNFJ-OLZOCXBDSA-N 2 1 240.391 2.005 20 0 BEADMP CC1(C)CO[C@H](C[N@H+]2CCCCC[C@@H]([NH3+])C2)C1 ZINC000708337909 712189493 /nfs/dbraw/zinc/18/94/93/712189493.db2.gz QAWJTSAPKBPNFJ-OLZOCXBDSA-N 2 1 240.391 2.005 20 0 BEADMP CC1(C)CO[C@@H](C[N@@H+]2CCCCC[C@@H]([NH3+])C2)C1 ZINC000708337908 712189054 /nfs/dbraw/zinc/18/90/54/712189054.db2.gz QAWJTSAPKBPNFJ-CHWSQXEVSA-N 2 1 240.391 2.005 20 0 BEADMP CC1(C)CO[C@@H](C[N@H+]2CCCCC[C@@H]([NH3+])C2)C1 ZINC000708337908 712189055 /nfs/dbraw/zinc/18/90/55/712189055.db2.gz QAWJTSAPKBPNFJ-CHWSQXEVSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@H](C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)CC(C)(C)C ZINC000709175461 712199532 /nfs/dbraw/zinc/19/95/32/712199532.db2.gz GRCHYIMUONLUDJ-XQQFMLRXSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)CC(C)(C)C ZINC000709175461 712199533 /nfs/dbraw/zinc/19/95/33/712199533.db2.gz GRCHYIMUONLUDJ-XQQFMLRXSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1C[N@H+](Cc2cc(Cl)cs2)C[C@H]1C[NH3+] ZINC000708862490 712201583 /nfs/dbraw/zinc/20/15/83/712201583.db2.gz HEQORARWJNFYEJ-RKDXNWHRSA-N 2 1 244.791 2.428 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2cc(Cl)cs2)C[C@H]1C[NH3+] ZINC000708862490 712201586 /nfs/dbraw/zinc/20/15/86/712201586.db2.gz HEQORARWJNFYEJ-RKDXNWHRSA-N 2 1 244.791 2.428 20 0 BEADMP C(CC1CC1)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709848313 712229160 /nfs/dbraw/zinc/22/91/60/712229160.db2.gz GUVBKSGKYGRATG-AWEZNQCLSA-N 2 1 222.376 2.252 20 0 BEADMP [NH3+]CCCCCCC[N@H+]1CC[C@H](CF)C1 ZINC000711497429 712306900 /nfs/dbraw/zinc/30/69/00/712306900.db2.gz WXHIKFBHYBZOQJ-GFCCVEGCSA-N 2 1 216.344 2.187 20 0 BEADMP C[C@H]1c2sccc2CC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000712263439 712344931 /nfs/dbraw/zinc/34/49/31/712344931.db2.gz HMKZIFCVDRJGEU-QWRGUYRKSA-N 2 1 236.384 2.277 20 0 BEADMP CC1(C)[C@@H]2C[N@H+](CCCCCC[NH3+])C[C@@H]21 ZINC000379517700 712387147 /nfs/dbraw/zinc/38/71/47/712387147.db2.gz YJYKRQNTOUSGLM-TXEJJXNPSA-N 2 1 210.365 2.093 20 0 BEADMP C[C@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CCS1 ZINC000379545348 712387554 /nfs/dbraw/zinc/38/75/54/712387554.db2.gz YOWUKECNSUZYDY-STQMWFEESA-N 2 1 242.432 2.204 20 0 BEADMP C(C[NH2+]C1CC1)C[N@H+]1CCC2(CCC2)C1 ZINC000379545135 712387567 /nfs/dbraw/zinc/38/75/67/712387567.db2.gz YAEBGNAPOFHXCQ-UHFFFAOYSA-N 2 1 208.349 2.005 20 0 BEADMP C=C/C=C\CC[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000713700390 712469376 /nfs/dbraw/zinc/46/93/76/712469376.db2.gz AEDXMTZOFVOGJZ-IBPBTGAJSA-N 2 1 208.349 2.178 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CCCC(C)(C)O1 ZINC000714374717 712484363 /nfs/dbraw/zinc/48/43/63/712484363.db2.gz NRVRVZLBYLUQPJ-AGIUHOORSA-N 2 1 240.391 2.146 20 0 BEADMP C[N@H+](C[C@H]1CCCC(C)(C)O1)[C@@H](C[NH3+])C1CC1 ZINC000714373446 712484391 /nfs/dbraw/zinc/48/43/91/712484391.db2.gz CXAFSIVWBPHYQF-OLZOCXBDSA-N 2 1 240.391 2.003 20 0 BEADMP C[N@@H+](C[C@H]1CCCC(C)(C)O1)[C@@H](C[NH3+])C1CC1 ZINC000714373446 712484392 /nfs/dbraw/zinc/48/43/92/712484392.db2.gz CXAFSIVWBPHYQF-OLZOCXBDSA-N 2 1 240.391 2.003 20 0 BEADMP CC1(C)CCC[C@H](C[N@H+]2CCC[C@H](C[NH3+])C2)O1 ZINC000714373030 712484420 /nfs/dbraw/zinc/48/44/20/712484420.db2.gz BDIZJUPVVNTPEK-CHWSQXEVSA-N 2 1 240.391 2.005 20 0 BEADMP CCC1([NH3+])CC[NH+](Cc2scnc2C)CC1 ZINC000714758252 712497676 /nfs/dbraw/zinc/49/76/76/712497676.db2.gz MATPLQOEYPAGSI-UHFFFAOYSA-N 2 1 239.388 2.155 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714851624 712501540 /nfs/dbraw/zinc/50/15/40/712501540.db2.gz QCWCBAOFHCHYHT-YUTCNCBUSA-N 2 1 222.376 2.093 20 0 BEADMP C[C@]1(C[NH3+])CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714850953 712501996 /nfs/dbraw/zinc/50/19/96/712501996.db2.gz ZEKKKAICNKDVIN-HZSPNIEDSA-N 2 1 222.376 2.093 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@@H]1CCCS1 ZINC000715656995 712529583 /nfs/dbraw/zinc/52/95/83/712529583.db2.gz ILGHXRHUSLGXFB-SDDRHHMPSA-N 2 1 228.405 2.002 20 0 BEADMP CC[C@H]1C[N@@H+](CCCC(C)(F)F)CC[C@H]1[NH3+] ZINC000718709747 712777922 /nfs/dbraw/zinc/77/79/22/712777922.db2.gz UZEIRUQDIMJTKU-WDEREUQCSA-N 2 1 234.334 2.481 20 0 BEADMP CC[C@H](c1ccccc1)[N@H+]1CCC[NH2+]CC1 ZINC000038086989 712806836 /nfs/dbraw/zinc/80/68/36/712806836.db2.gz FAAAFCDOFVYSCA-CQSZACIVSA-N 2 1 218.344 2.433 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc[nH]1 ZINC000381304669 710618906 /nfs/dbraw/zinc/61/89/06/710618906.db2.gz JLVLVFRRXWQGPM-WOPDTQHZSA-N 2 1 221.348 2.148 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc[nH]1 ZINC000381304669 710618910 /nfs/dbraw/zinc/61/89/10/710618910.db2.gz JLVLVFRRXWQGPM-WOPDTQHZSA-N 2 1 221.348 2.148 20 0 BEADMP C[N@@H+](CCC[NH3+])C[C@@H]1CC2CCC1CC2 ZINC000382055185 710769222 /nfs/dbraw/zinc/76/92/22/710769222.db2.gz GRJXINBOFFJJAH-BPCQOVAHSA-N 2 1 210.365 2.093 20 0 BEADMP c1cc([C@H]2CCC[N@H+]2CCC[NH2+]C2CC2)ccn1 ZINC000384589419 710923523 /nfs/dbraw/zinc/92/35/23/710923523.db2.gz BZTQFVAXCLJSDU-OAHLLOKOSA-N 2 1 245.370 2.361 20 0 BEADMP c1cc([C@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)ccn1 ZINC000384589419 710923525 /nfs/dbraw/zinc/92/35/25/710923525.db2.gz BZTQFVAXCLJSDU-OAHLLOKOSA-N 2 1 245.370 2.361 20 0 BEADMP CC(C)[C@H](C[NH2+][C@H]1CC[C@H]1C)[NH+]1CCCC1 ZINC000380604220 712901826 /nfs/dbraw/zinc/90/18/26/712901826.db2.gz WCIMJQJDANTJDE-RDBSUJKOSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)[N@H+](CCCCCC[NH3+])CC(F)F ZINC000386044077 711022379 /nfs/dbraw/zinc/02/23/79/711022379.db2.gz UGDGTXUBZODKFQ-UHFFFAOYSA-N 2 1 222.323 2.481 20 0 BEADMP CC(C)[N@@H+](CCCCCC[NH3+])CC(F)F ZINC000386044077 711022382 /nfs/dbraw/zinc/02/23/82/711022382.db2.gz UGDGTXUBZODKFQ-UHFFFAOYSA-N 2 1 222.323 2.481 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H]1C ZINC000389844912 711092470 /nfs/dbraw/zinc/09/24/70/711092470.db2.gz MNTPQYDAEIMLRD-XQQFMLRXSA-N 2 1 212.381 2.495 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H]1C ZINC000389844912 711092474 /nfs/dbraw/zinc/09/24/74/711092474.db2.gz MNTPQYDAEIMLRD-XQQFMLRXSA-N 2 1 212.381 2.495 20 0 BEADMP C(CC1CC1)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000394493811 711193354 /nfs/dbraw/zinc/19/33/54/711193354.db2.gz LYTGIXMUNVLZFN-OLZOCXBDSA-N 2 1 208.349 2.003 20 0 BEADMP C(CC1CC1)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000394493811 711193357 /nfs/dbraw/zinc/19/33/57/711193357.db2.gz LYTGIXMUNVLZFN-OLZOCXBDSA-N 2 1 208.349 2.003 20 0 BEADMP C[C@@H]1CC[N@@H+](CCCC2CC2)C[C@@H]1C[NH3+] ZINC000394668602 711196787 /nfs/dbraw/zinc/19/67/87/711196787.db2.gz RAZGDHCSDURKLG-YPMHNXCESA-N 2 1 210.365 2.093 20 0 BEADMP CC(C)[C@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000395842545 711216628 /nfs/dbraw/zinc/21/66/28/711216628.db2.gz IQZAUDNCORSMCR-HZSPNIEDSA-N 2 1 224.392 2.352 20 0 BEADMP CC(C)[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000395842551 711216725 /nfs/dbraw/zinc/21/67/25/711216725.db2.gz IQZAUDNCORSMCR-RDBSUJKOSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000396547185 711353281 /nfs/dbraw/zinc/35/32/81/711353281.db2.gz CPTWGGJXMBRUDG-FZMZJTMJSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000396601532 711354132 /nfs/dbraw/zinc/35/41/32/711354132.db2.gz XPNMONIIVIRJJS-TUAOUCFPSA-N 2 1 228.405 2.002 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(C)CCCC1 ZINC000396644313 711357702 /nfs/dbraw/zinc/35/77/02/711357702.db2.gz BSSNEAKUSWDSJH-RYUDHWBXSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@H](C[NH2+][C@H]1CCC[NH2+][C@@H]1C)CC(F)(F)F ZINC000397010444 711374735 /nfs/dbraw/zinc/37/47/35/711374735.db2.gz MTRDHGWNGRHBLO-AEJSXWLSSA-N 2 1 238.297 2.305 20 0 BEADMP CC[C@]1(C)CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000399397593 711428675 /nfs/dbraw/zinc/42/86/75/711428675.db2.gz MVWUFKDADZVNJW-GXSJLCMTSA-N 2 1 220.307 2.091 20 0 BEADMP CC[C@]1(C)CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000399397593 711428680 /nfs/dbraw/zinc/42/86/80/711428680.db2.gz MVWUFKDADZVNJW-GXSJLCMTSA-N 2 1 220.307 2.091 20 0 BEADMP CC[C@]1(C)CC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000399397597 711429546 /nfs/dbraw/zinc/42/95/46/711429546.db2.gz MVWUFKDADZVNJW-MWLCHTKSSA-N 2 1 220.307 2.091 20 0 BEADMP CC[C@]1(C)CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000399397597 711429548 /nfs/dbraw/zinc/42/95/48/711429548.db2.gz MVWUFKDADZVNJW-MWLCHTKSSA-N 2 1 220.307 2.091 20 0 BEADMP CCCC1(C[NH2+][C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396699215 711365139 /nfs/dbraw/zinc/36/51/39/711365139.db2.gz KNEFBDQJVKDCMM-RYUDHWBXSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCC(C)(C)C ZINC000399755655 711434643 /nfs/dbraw/zinc/43/46/43/711434643.db2.gz PVLFNVAXMKAVDW-NEPJUHHUSA-N 2 1 212.381 2.210 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)s1 ZINC000723711801 711535243 /nfs/dbraw/zinc/53/52/43/711535243.db2.gz JCWLXFRARKVRSB-NSHDSACASA-N 2 1 224.373 2.227 20 0 BEADMP [NH3+]CC[C@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000723713941 711535271 /nfs/dbraw/zinc/53/52/71/711535271.db2.gz XSYUVDCQQFZHEX-QZDDGCDVSA-N 2 1 230.355 2.371 20 0 BEADMP C=C/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723886941 711543107 /nfs/dbraw/zinc/54/31/07/711543107.db2.gz OLSQSLPGCQMBPU-IJWDBEHRSA-N 2 1 208.349 2.035 20 0 BEADMP C[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1CC[NH3+] ZINC000723886193 711543257 /nfs/dbraw/zinc/54/32/57/711543257.db2.gz HVHIXKYIXZQYGW-TZMCWYRMSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@@H]1C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@H]1CC[NH3+] ZINC000723884255 711543305 /nfs/dbraw/zinc/54/33/05/711543305.db2.gz SBRMCXUIHDNHAI-NGFQHRJXSA-N 2 1 236.403 2.339 20 0 BEADMP C[C@H](c1cccnc1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723892587 711543744 /nfs/dbraw/zinc/54/37/44/711543744.db2.gz SCZOCLUOTOVCOU-YRGRVCCFSA-N 2 1 233.359 2.059 20 0 BEADMP C[C@@H]1C[N@@H+](CC=C(Cl)Cl)C[C@H]1CC[NH3+] ZINC000723900595 711543917 /nfs/dbraw/zinc/54/39/17/711543917.db2.gz KKRKHHRWUISTPY-RKDXNWHRSA-N 2 1 237.174 2.222 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)s1 ZINC000723890620 711544013 /nfs/dbraw/zinc/54/40/13/711544013.db2.gz FULCILNMYXZCLR-ZYHUDNBSSA-N 2 1 238.400 2.473 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1CC[NH3+] ZINC000723893996 711544432 /nfs/dbraw/zinc/54/44/32/711544432.db2.gz IAQYBSYHPHHYKS-IJLUTSLNSA-N 2 1 246.345 2.339 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CCC2CC=CC2)CC[N@H+]1C ZINC000724184473 711567191 /nfs/dbraw/zinc/56/71/91/711567191.db2.gz IXZAAVISTJCOKR-JSGCOSHPSA-N 2 1 222.376 2.415 20 0 BEADMP CC1(C)C[N@@H+](C[C@]2(C)CCC[NH2+]C2)CCS1 ZINC000133324961 711638112 /nfs/dbraw/zinc/63/81/12/711638112.db2.gz MCIXGVRPYQCLGJ-CYBMUJFWSA-N 2 1 242.432 2.204 20 0 BEADMP CCCC1(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396699213 711703323 /nfs/dbraw/zinc/70/33/23/711703323.db2.gz KNEFBDQJVKDCMM-NEPJUHHUSA-N 2 1 210.365 2.297 20 0 BEADMP CC1(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)CCC1 ZINC000335264579 711721605 /nfs/dbraw/zinc/72/16/05/711721605.db2.gz ALUMBUXBZRXUTN-CYBMUJFWSA-N 2 1 208.349 2.005 20 0 BEADMP CC1(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)CCC1 ZINC000335264579 711721606 /nfs/dbraw/zinc/72/16/06/711721606.db2.gz ALUMBUXBZRXUTN-CYBMUJFWSA-N 2 1 208.349 2.005 20 0 BEADMP C(C1CCCC1)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000257682165 711726782 /nfs/dbraw/zinc/72/67/82/711726782.db2.gz LIQAHCSFAKFSRQ-ZDUSSCGKSA-N 2 1 208.349 2.005 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000050245182 711789137 /nfs/dbraw/zinc/78/91/37/711789137.db2.gz KVPHBMNUXOBWQQ-NSHDSACASA-N 2 1 230.311 2.213 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCc3sccc3C2)C1 ZINC000227800018 711832928 /nfs/dbraw/zinc/83/29/28/711832928.db2.gz KRISZVRFNYUWRC-CMPLNLGQSA-N 2 1 236.384 2.234 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1(Cl)CC1 ZINC000700807813 711852547 /nfs/dbraw/zinc/85/25/47/711852547.db2.gz DTQDNPZOADJTOQ-RYUDHWBXSA-N 2 1 244.810 2.468 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C[C@@H]1C ZINC000132005410 711953578 /nfs/dbraw/zinc/95/35/78/711953578.db2.gz KZPNGGIIRSSJII-HZSPNIEDSA-N 2 1 224.392 2.354 20 0 BEADMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000700812277 712006634 /nfs/dbraw/zinc/00/66/34/712006634.db2.gz HRXWHALCXXTDFG-KGLIPLIRSA-N 2 1 238.375 2.001 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)C2(Cl)CC2)C1 ZINC000702253969 712041941 /nfs/dbraw/zinc/04/19/41/712041941.db2.gz BGIQPIHZUGOVRB-GHMZBOCLSA-N 2 1 230.783 2.078 20 0 BEADMP C[C@]1(C[N@H+]2CCCC(F)(F)CC2)CCC[NH2+]C1 ZINC000702804246 712061290 /nfs/dbraw/zinc/06/12/90/712061290.db2.gz FHLOZJFADWAMBS-LBPRGKRZSA-N 2 1 246.345 2.497 20 0 BEADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc2c1OCC2 ZINC000703209208 712068533 /nfs/dbraw/zinc/06/85/33/712068533.db2.gz KOJYZBOZIYUXTP-GFCCVEGCSA-N 2 1 248.370 2.051 20 0 BEADMP C[C@@H]1CCCC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000703251660 712069797 /nfs/dbraw/zinc/06/97/97/712069797.db2.gz LLXDAIPUPMVANR-NXEZZACHSA-N 2 1 220.307 2.091 20 0 BEADMP C[C@@H]1CCCC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000703251660 712069800 /nfs/dbraw/zinc/06/98/00/712069800.db2.gz LLXDAIPUPMVANR-NXEZZACHSA-N 2 1 220.307 2.091 20 0 BEADMP Cc1cc(C[N@H+](C)C2CCC([NH3+])CC2)ccn1 ZINC000703508733 712077492 /nfs/dbraw/zinc/07/74/92/712077492.db2.gz PCGUCSFKXDPTOY-UHFFFAOYSA-N 2 1 233.359 2.092 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000703597524 712080049 /nfs/dbraw/zinc/08/00/49/712080049.db2.gz UVGWUDKHDOCFSN-JKSUJKDBSA-N 2 1 244.382 2.345 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1C ZINC000703598054 712080083 /nfs/dbraw/zinc/08/00/83/712080083.db2.gz YLAKZSBALYGTGJ-JKSUJKDBSA-N 2 1 244.382 2.345 20 0 BEADMP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703603548 712082293 /nfs/dbraw/zinc/08/22/93/712082293.db2.gz XTDZFEMGAAYELY-OSAQELSMSA-N 2 1 248.345 2.428 20 0 BEADMP C[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703603548 712082294 /nfs/dbraw/zinc/08/22/94/712082294.db2.gz XTDZFEMGAAYELY-OSAQELSMSA-N 2 1 248.345 2.428 20 0 BEADMP C[C@@H]1CCCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000705575813 712133739 /nfs/dbraw/zinc/13/37/39/712133739.db2.gz DXSJJZKYPKTLQJ-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@H]1CC(C)(C)CO1 ZINC000708329103 712187442 /nfs/dbraw/zinc/18/74/42/712187442.db2.gz BFSIWOOYAHDVDE-YNEHKIRRSA-N 2 1 240.391 2.003 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@H]1CC(C)(C)CO1 ZINC000708329103 712187443 /nfs/dbraw/zinc/18/74/43/712187443.db2.gz BFSIWOOYAHDVDE-YNEHKIRRSA-N 2 1 240.391 2.003 20 0 BEADMP C[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CC(C)(C)C ZINC000709121832 712209237 /nfs/dbraw/zinc/20/92/37/712209237.db2.gz GQAIAHUKIZPULE-RWMBFGLXSA-N 2 1 224.392 2.210 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](C[C@@H](C)CC(C)(C)C)CCO1 ZINC000709154265 712210644 /nfs/dbraw/zinc/21/06/44/712210644.db2.gz UXIOQEPYHHSUJC-XQQFMLRXSA-N 2 1 242.407 2.107 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](C[C@@H](C)CC(C)(C)C)CCO1 ZINC000709154265 712210646 /nfs/dbraw/zinc/21/06/46/712210646.db2.gz UXIOQEPYHHSUJC-XQQFMLRXSA-N 2 1 242.407 2.107 20 0 BEADMP C[NH+](C)C1(C)CC[NH+](Cc2cccc(N)c2)CC1 ZINC000709835345 712229386 /nfs/dbraw/zinc/22/93/86/712229386.db2.gz JMGXYINWUANCAS-UHFFFAOYSA-N 2 1 247.386 2.185 20 0 BEADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709920525 712232608 /nfs/dbraw/zinc/23/26/08/712232608.db2.gz QDPRSMUKOPENNB-LXTVHRRPSA-N 2 1 234.387 2.108 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@]23C[C@H]2CCC3)CC[N@H+]1C ZINC000710484136 712253709 /nfs/dbraw/zinc/25/37/09/712253709.db2.gz SSAGLKPLSSTXRY-SYQHCUMBSA-N 2 1 222.376 2.249 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])C[C@H]1CCSC1 ZINC000710704930 712254984 /nfs/dbraw/zinc/25/49/84/712254984.db2.gz FIYJVVNGYHFTBD-GFCCVEGCSA-N 2 1 230.421 2.190 20 0 BEADMP Cc1ccc(C[N@@H+](C)CCCCCC[NH3+])nc1 ZINC000710712877 712254635 /nfs/dbraw/zinc/25/46/35/712254635.db2.gz BVFGQLKNLDFUFC-UHFFFAOYSA-N 2 1 235.375 2.341 20 0 BEADMP C[C@H]1CC[C@H](C[N@@H+](C)CCCCCC[NH3+])O1 ZINC000710749650 712256146 /nfs/dbraw/zinc/25/61/46/712256146.db2.gz IZTPWNCMKOAYQK-QWHCGFSZSA-N 2 1 228.380 2.005 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000710895124 712261955 /nfs/dbraw/zinc/26/19/55/712261955.db2.gz FEDCHDBHPIMNFD-QDMKHBRRSA-N 2 1 234.387 2.417 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000710639300 712264902 /nfs/dbraw/zinc/26/49/02/712264902.db2.gz BQUJSIOIRVYZMH-YHQUGGNUSA-N 2 1 222.376 2.153 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711171473 712288194 /nfs/dbraw/zinc/28/81/94/712288194.db2.gz YLHRNPPLNFRRQC-CLLJXQQHSA-N 2 1 233.359 2.131 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](CF)C2)CC[NH2+]1 ZINC000711463302 712305041 /nfs/dbraw/zinc/30/50/41/712305041.db2.gz VTLNKBUPHFJMJA-FRRDWIJNSA-N 2 1 228.355 2.056 20 0 BEADMP FC[C@@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000711512778 712307838 /nfs/dbraw/zinc/30/78/38/712307838.db2.gz JRBWJBSLZDFKDB-LBPRGKRZSA-N 2 1 248.345 2.124 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000712464933 712430355 /nfs/dbraw/zinc/43/03/55/712430355.db2.gz POHYQIRAUXRQPZ-QSLWVIQJSA-N 2 1 222.376 2.295 20 0 BEADMP C[C@@H]1C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)CC[C@@H]1[NH3+] ZINC000712683224 712440520 /nfs/dbraw/zinc/44/05/20/712440520.db2.gz FYKJAEPDHAXNHX-ZZVYKPCYSA-N 2 1 222.376 2.092 20 0 BEADMP C[N@@H+](C[C@@H]1CCC(C)(C)CO1)CC(C)(C)C[NH3+] ZINC000713597434 712465939 /nfs/dbraw/zinc/46/59/39/712465939.db2.gz UYDNCCUKSJZJHD-LBPRGKRZSA-N 2 1 242.407 2.108 20 0 BEADMP C=C/C=C/CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000713640754 712467689 /nfs/dbraw/zinc/46/76/89/712467689.db2.gz GSXRZLNOAUQNOH-SNSWZIKMSA-N 2 1 220.360 2.334 20 0 BEADMP C=C/C=C\CC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000713735220 712470482 /nfs/dbraw/zinc/47/04/82/712470482.db2.gz NIMNBNQVYKRJBF-AIMRDXAKSA-N 2 1 208.349 2.035 20 0 BEADMP C=C/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000713738591 712470816 /nfs/dbraw/zinc/47/08/16/712470816.db2.gz FUUFJUFUTBMFJF-NVFZZLLCSA-N 2 1 220.360 2.180 20 0 BEADMP C=C/C=C/CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000713755447 712471896 /nfs/dbraw/zinc/47/18/96/712471896.db2.gz MZGCWFIZSJBIPL-RDFMZFSFSA-N 2 1 220.360 2.194 20 0 BEADMP CC[C@@H]1C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)CC[C@H]1[NH3+] ZINC000714813017 712498339 /nfs/dbraw/zinc/49/83/39/712498339.db2.gz RZKKEVAVSHJDMS-REBRKWNGSA-N 2 1 236.403 2.482 20 0 BEADMP C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)[C@@H]1C[C@H]1C1CC1 ZINC000714811456 712498380 /nfs/dbraw/zinc/49/83/80/712498380.db2.gz NBIFHYLEVQHTMT-PMPSAXMXSA-N 2 1 248.414 2.498 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714853371 712501602 /nfs/dbraw/zinc/50/16/02/712501602.db2.gz XMOYPQTVRBELLB-ASEORRQLSA-N 2 1 222.376 2.092 20 0 BEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714856056 712501652 /nfs/dbraw/zinc/50/16/52/712501652.db2.gz ANWLNGSVTRJHDY-CFVMTHIKSA-N 2 1 236.403 2.483 20 0 BEADMP CCc1nc(N[C@H](C)C2CC[NH2+]CC2)cc(C)[nH+]1 ZINC000716620066 712567720 /nfs/dbraw/zinc/56/77/20/712567720.db2.gz NQOXMOPFJLRZFU-LLVKDONJSA-N 2 1 248.374 2.147 20 0 BEADMP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000716622808 712568213 /nfs/dbraw/zinc/56/82/13/712568213.db2.gz JMZLDYSGVHZZMN-QDIQDFCCSA-N 2 1 248.414 2.493 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000717015859 712604650 /nfs/dbraw/zinc/60/46/50/712604650.db2.gz CILVSINUIIEZJN-QNSTZXKLSA-N 2 1 222.376 2.153 20 0 BEADMP C[NH+]1CCC([NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)CC1 ZINC000717061232 712626503 /nfs/dbraw/zinc/62/65/03/712626503.db2.gz FEANRMHDKNZLIN-OUCADQQQSA-N 2 1 222.376 2.106 20 0 BEADMP C[N@H+](CC[NH2+]C1CCCC1)C1CCCC1 ZINC000037482432 712647766 /nfs/dbraw/zinc/64/77/66/712647766.db2.gz APCDUTCWDFCNIU-UHFFFAOYSA-N 2 1 210.365 2.393 20 0 BEADMP C[N@@H+](CC[NH2+]C1CCCC1)C1CCCC1 ZINC000037482432 712647767 /nfs/dbraw/zinc/64/77/67/712647767.db2.gz APCDUTCWDFCNIU-UHFFFAOYSA-N 2 1 210.365 2.393 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]C2CCC=CCC2)C1 ZINC000718018989 712736407 /nfs/dbraw/zinc/73/64/07/712736407.db2.gz MSKUSGFJCPIPNJ-WCQYABFASA-N 2 1 208.349 2.073 20 0 BEADMP Cc1cc(C)c([C@@H](C)[NH2+]CC[NH3+])cc1C ZINC000037712661 712745021 /nfs/dbraw/zinc/74/50/21/712745021.db2.gz KAEQNZBHBQPFOH-GFCCVEGCSA-N 2 1 206.333 2.221 20 0 BEADMP CC(F)(F)CCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000718608775 712773262 /nfs/dbraw/zinc/77/32/62/712773262.db2.gz QYHTUEUYUWFGEW-VXGBXAGGSA-N 2 1 246.345 2.496 20 0 BEADMP CC(F)(F)CCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000718608775 712773264 /nfs/dbraw/zinc/77/32/64/712773264.db2.gz QYHTUEUYUWFGEW-VXGBXAGGSA-N 2 1 246.345 2.496 20 0 BEADMP C[C@H]1CC[N@@H+](CCCC(C)(F)F)C[C@@H]1C[NH3+] ZINC000718570267 712774745 /nfs/dbraw/zinc/77/47/45/712774745.db2.gz JJFKHMLOJIXFSL-QWRGUYRKSA-N 2 1 234.334 2.339 20 0 BEADMP CC(F)(F)CCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000718583532 712775653 /nfs/dbraw/zinc/77/56/53/712775653.db2.gz KRSJONZQHOAUDX-SRVKXCTJSA-N 2 1 246.345 2.481 20 0 BEADMP C[C@@H]1[C@@H](Nc2cc[nH+]c3ccccc23)CC[N@H+]1C ZINC000719577341 712812112 /nfs/dbraw/zinc/81/21/12/712812112.db2.gz SEALIFJDIQULKP-YPMHNXCESA-N 2 1 241.338 2.161 20 0 BEADMP C[C@@H](C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)C(C)(C)C ZINC000720829967 712868925 /nfs/dbraw/zinc/86/89/25/712868925.db2.gz IOVGIGLONHPAAA-SGMGOOAPSA-N 2 1 224.392 2.210 20 0 BEADMP [NH3+]C[C@H]1C[N@@H+](CC2CC=CC2)C[C@@H]1C(F)(F)F ZINC000720878443 712872695 /nfs/dbraw/zinc/87/26/95/712872695.db2.gz SRFYJVGKYQQGQN-QWRGUYRKSA-N 2 1 248.292 2.022 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CCC2(CCC2)C1 ZINC000380308362 712873668 /nfs/dbraw/zinc/87/36/68/712873668.db2.gz REQCRFOMNVOGSX-UHFFFAOYSA-N 2 1 210.365 2.382 20 0 BEADMP C(C1CCCC1)[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000720905518 712876396 /nfs/dbraw/zinc/87/63/96/712876396.db2.gz ZFBLURCNELDSJW-STQMWFEESA-N 2 1 208.349 2.003 20 0 BEADMP C(C1CCCC1)[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000720905518 712876397 /nfs/dbraw/zinc/87/63/97/712876397.db2.gz ZFBLURCNELDSJW-STQMWFEESA-N 2 1 208.349 2.003 20 0 BEADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208603584 957093368 /nfs/dbraw/zinc/09/33/68/957093368.db2.gz FCWFVFFKVRVEKZ-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP C[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)[C@@H](C)C1 ZINC001208613175 957100343 /nfs/dbraw/zinc/10/03/43/957100343.db2.gz QSGCKUDEIICCIZ-RDBSUJKOSA-N 2 1 224.392 2.449 20 0 BEADMP C1CC2CCCC(C1)[NH+]2C1CC[NH2+]CC1 ZINC000707098710 958371902 /nfs/dbraw/zinc/37/19/02/958371902.db2.gz GCNDGZLSYMNKQK-UHFFFAOYSA-N 2 1 208.349 2.145 20 0 BEADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cs1 ZINC000708864160 959985505 /nfs/dbraw/zinc/98/55/05/959985505.db2.gz XGBZLTOOERYNPF-BXKDBHETSA-N 2 1 224.373 2.083 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCOC1CCCC1 ZINC000925530891 960286652 /nfs/dbraw/zinc/28/66/52/960286652.db2.gz HHOSLVKKSNCKSQ-GXTWGEPZSA-N 2 1 240.391 2.066 20 0 BEADMP CC(C)CCC[NH+]1CC2(C1)CCC[NH2+]C2 ZINC000710017394 962217635 /nfs/dbraw/zinc/21/76/35/962217635.db2.gz VOIFGCNAXMQZFS-UHFFFAOYSA-N 2 1 210.365 2.108 20 0 BEADMP [NH3+]CCCC[N@H+]1CCC[C@H]1c1nccs1 ZINC000710598913 962417444 /nfs/dbraw/zinc/41/74/44/962417444.db2.gz WRIGTVYBDQEDRM-JTQLQIEISA-N 2 1 225.361 2.019 20 0 BEADMP C[NH2+]CCC[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000249855171 964752348 /nfs/dbraw/zinc/75/23/48/964752348.db2.gz QFWJZBGJOJTABE-OLZOCXBDSA-N 2 1 210.365 2.108 20 0 BEADMP Cc1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000131366346 1165793035 /nfs/dbraw/zinc/79/30/35/1165793035.db2.gz CHVKFQBLMUIYGD-GFCCVEGCSA-N 2 1 243.354 2.399 20 0 BEADMP Cc1[nH]c2ccccc2c1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000131366346 1165793038 /nfs/dbraw/zinc/79/30/38/1165793038.db2.gz CHVKFQBLMUIYGD-GFCCVEGCSA-N 2 1 243.354 2.399 20 0 BEADMP CS[C@@H](C)CC[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205546026 967687451 /nfs/dbraw/zinc/68/74/51/967687451.db2.gz PDGGCIWHBLMORE-NWDGAFQWSA-N 2 1 248.411 2.281 20 0 BEADMP CS[C@H](C)CC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205602586 967716459 /nfs/dbraw/zinc/71/64/59/967716459.db2.gz KBRQRGRPMILCNH-JHJVBQTASA-N 2 1 244.448 2.435 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+]C2CCCCC2)CC1 ZINC000075135659 1165887006 /nfs/dbraw/zinc/88/70/06/1165887006.db2.gz NGBRGWRBHKHQDU-CYBMUJFWSA-N 2 1 210.365 2.393 20 0 BEADMP C[C@@H]1CC[N@H+](CC2CCC(F)(F)CC2)C[C@@H]1[NH3+] ZINC001205863494 967862509 /nfs/dbraw/zinc/86/25/09/967862509.db2.gz YKTQYTFNWWXELQ-PWSUYJOCSA-N 2 1 246.345 2.481 20 0 BEADMP C[C@@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C[C@@H]1[NH3+] ZINC001205863494 967862510 /nfs/dbraw/zinc/86/25/10/967862510.db2.gz YKTQYTFNWWXELQ-PWSUYJOCSA-N 2 1 246.345 2.481 20 0 BEADMP C[C@@H]1C[N@@H+](CC(C)(C)C)CCC[C@H]1C[NH3+] ZINC001205981139 967918690 /nfs/dbraw/zinc/91/86/90/967918690.db2.gz BXWMJAUPGZPUKG-NEPJUHHUSA-N 2 1 212.381 2.339 20 0 BEADMP C[C@H]1C[N@@H+](CCC(F)(F)F)CCC[C@H]1C[NH3+] ZINC001205984634 967931966 /nfs/dbraw/zinc/93/19/66/967931966.db2.gz SQWMARVTWJOKTJ-UWVGGRQHSA-N 2 1 238.297 2.246 20 0 BEADMP CC(C)(C)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206297273 968207060 /nfs/dbraw/zinc/20/70/60/968207060.db2.gz XEFGZQVEVRGSGM-ZDUSSCGKSA-N 2 1 212.381 2.483 20 0 BEADMP C[N@@H+](CC1CC[NH2+]CC1)C[C@@]1(C)CCCS1 ZINC000327476199 1166018284 /nfs/dbraw/zinc/01/82/84/1166018284.db2.gz KUTITSIABDOCBG-CYBMUJFWSA-N 2 1 242.432 2.204 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CCC1CC[NH+](C)CC1 ZINC001207482591 968799925 /nfs/dbraw/zinc/79/99/25/968799925.db2.gz YNMUIAQWGKIDJP-GFCCVEGCSA-N 2 1 212.381 2.449 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])CCC(F)(F)F ZINC000083890067 1166129827 /nfs/dbraw/zinc/12/98/27/1166129827.db2.gz PMGGXAHKADXWQD-UHFFFAOYSA-N 2 1 226.286 2.390 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CCCc2ccccc2)C[NH2+]1 ZINC000399126265 1166149276 /nfs/dbraw/zinc/14/92/76/1166149276.db2.gz KNPNXBTVSUGOKV-UKRRQHHQSA-N 2 1 232.371 2.349 20 0 BEADMP C[C@@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)C[C@H]1F ZINC001208108080 969001939 /nfs/dbraw/zinc/00/19/39/969001939.db2.gz POLDPFHMMVLWNF-CHWSQXEVSA-N 2 1 242.382 2.398 20 0 BEADMP c1cc2cccc(C[N@@H+]3CCC[NH2+]CC3)c2o1 ZINC000213864323 1166195440 /nfs/dbraw/zinc/19/54/40/1166195440.db2.gz DPBRYANJPXMHPN-UHFFFAOYSA-N 2 1 230.311 2.228 20 0 BEADMP c1cc2cccc(C[N@H+]3CCC[NH2+]CC3)c2o1 ZINC000213864323 1166195441 /nfs/dbraw/zinc/19/54/41/1166195441.db2.gz DPBRYANJPXMHPN-UHFFFAOYSA-N 2 1 230.311 2.228 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](C)C2)CC1 ZINC001208608487 969146020 /nfs/dbraw/zinc/14/60/20/969146020.db2.gz UFHROKJUYYZTTE-ZIAGYGMSSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@@H]1CCC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208608487 969146029 /nfs/dbraw/zinc/14/60/29/969146029.db2.gz UFHROKJUYYZTTE-ZIAGYGMSSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208608487 969146039 /nfs/dbraw/zinc/14/60/39/969146039.db2.gz UFHROKJUYYZTTE-ZIAGYGMSSA-N 2 1 224.392 2.450 20 0 BEADMP CC1CC([N@H+](C)C[C@H]2CCC[NH+](C)C2)C1 ZINC001208606484 969157687 /nfs/dbraw/zinc/15/76/87/969157687.db2.gz GVTMRDSLEYWGLH-CPCZMJQVSA-N 2 1 210.365 2.059 20 0 BEADMP CC1CC([N@@H+](C)C[C@H]2CCC[NH+](C)C2)C1 ZINC001208606484 969157695 /nfs/dbraw/zinc/15/76/95/969157695.db2.gz GVTMRDSLEYWGLH-CPCZMJQVSA-N 2 1 210.365 2.059 20 0 BEADMP CC1CC([NH+](C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208606484 969157703 /nfs/dbraw/zinc/15/77/03/969157703.db2.gz GVTMRDSLEYWGLH-CPCZMJQVSA-N 2 1 210.365 2.059 20 0 BEADMP CC1CC([NH+](C)C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208606484 969157709 /nfs/dbraw/zinc/15/77/09/969157709.db2.gz GVTMRDSLEYWGLH-CPCZMJQVSA-N 2 1 210.365 2.059 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(F)(F)CC2)C1 ZINC001208605086 969157011 /nfs/dbraw/zinc/15/70/11/969157011.db2.gz YLHYKKULDVQTDX-LLVKDONJSA-N 2 1 232.318 2.059 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@H]1CCC[C@@H](OC)C1 ZINC000226539033 1166288437 /nfs/dbraw/zinc/28/84/37/1166288437.db2.gz QBEYDSJLKQOUCJ-QWHCGFSZSA-N 2 1 228.380 2.005 20 0 BEADMP CC[C@H](C)C[C@H](CC)[N@@H+](C)CCC[NH3+] ZINC000227744772 1166308551 /nfs/dbraw/zinc/30/85/51/1166308551.db2.gz NYICZAMSKZTNLI-RYUDHWBXSA-N 2 1 200.370 2.482 20 0 BEADMP CC1(C)CC[C@H]([N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)C1 ZINC000299893892 1166326828 /nfs/dbraw/zinc/32/68/28/1166326828.db2.gz QAAUZYSTLBVUID-AGIUHOORSA-N 2 1 222.376 2.249 20 0 BEADMP COCCC[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001209050847 969339032 /nfs/dbraw/zinc/33/90/32/969339032.db2.gz YCWNTKNKPFNROH-UHFFFAOYSA-N 2 1 242.407 2.075 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCC1CC1)C2 ZINC001169098599 969391372 /nfs/dbraw/zinc/39/13/72/969391372.db2.gz JOJCVAXEZFOTBJ-CLLJXQQHSA-N 2 1 208.349 2.001 20 0 BEADMP C([C@H]1CCCC[NH2+]1)[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000228015312 1166381132 /nfs/dbraw/zinc/38/11/32/1166381132.db2.gz CYKPDYNGQBVWRG-BFHYXJOUSA-N 2 1 222.376 2.393 20 0 BEADMP CC(C)([NH3+])C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000250365913 1166392139 /nfs/dbraw/zinc/39/21/39/1166392139.db2.gz OEBSIVPMNKEIDA-NEPJUHHUSA-N 2 1 210.365 2.236 20 0 BEADMP CC(C)([NH3+])C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000250365913 1166392142 /nfs/dbraw/zinc/39/21/42/1166392142.db2.gz OEBSIVPMNKEIDA-NEPJUHHUSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCC[NH+](C)C)C[C@H](C)O1 ZINC001209378720 969452150 /nfs/dbraw/zinc/45/21/50/969452150.db2.gz MWGRDQYMHRVDGH-BTTYYORXSA-N 2 1 242.407 2.074 20 0 BEADMP COC(C)(C)CC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001209408141 969471476 /nfs/dbraw/zinc/47/14/76/969471476.db2.gz ZUPBBFIVYILMDJ-UHFFFAOYSA-N 2 1 242.407 2.075 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000250783398 1166430097 /nfs/dbraw/zinc/43/00/97/1166430097.db2.gz UNRGAQPCHRQAEI-UONOGXRCSA-N 2 1 224.392 2.497 20 0 BEADMP CC[NH+]1CCC([NH+]2CCC(C)(F)CC2)CC1 ZINC001169246071 969537314 /nfs/dbraw/zinc/53/73/14/969537314.db2.gz OEBYGTMNYLBUEE-UHFFFAOYSA-N 2 1 228.355 2.295 20 0 BEADMP c1ccc([C@H]2CC[N@@H+]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000250808879 1166432962 /nfs/dbraw/zinc/43/29/62/1166432962.db2.gz JRSZTULCLLFNCP-GJZGRUSLSA-N 2 1 230.355 2.228 20 0 BEADMP c1ccc([C@H]2CC[N@H+]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000250808879 1166432968 /nfs/dbraw/zinc/43/29/68/1166432968.db2.gz JRSZTULCLLFNCP-GJZGRUSLSA-N 2 1 230.355 2.228 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC001254511875 969679830 /nfs/dbraw/zinc/67/98/30/969679830.db2.gz GSRQPTMSBXOFLW-ZOBORPQBSA-N 2 1 222.376 2.249 20 0 BEADMP CCC1([NH2+][C@H]2CCC[N@@H+](C)CC2)CCC1 ZINC001254510899 969683361 /nfs/dbraw/zinc/68/33/61/969683361.db2.gz RCOZCGMIGQORBI-LBPRGKRZSA-N 2 1 210.365 2.393 20 0 BEADMP C(C1CCCC1)[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000251020629 1166485506 /nfs/dbraw/zinc/48/55/06/1166485506.db2.gz FCEUXDMDVFQAQD-UONOGXRCSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H](CC(F)(F)F)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158258528 1166514293 /nfs/dbraw/zinc/51/42/93/1166514293.db2.gz HVPWLNGGQRNKPX-UWVGGRQHSA-N 2 1 238.297 2.259 20 0 BEADMP CCCC[C@H](C)n1c(C)c[nH+]c1CC[NH3+] ZINC001255311465 970078555 /nfs/dbraw/zinc/07/85/55/970078555.db2.gz BZZKLZFGDBHWNU-JTQLQIEISA-N 2 1 209.337 2.444 20 0 BEADMP CCCC[C@H](C)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000394604441 1166605121 /nfs/dbraw/zinc/60/51/21/1166605121.db2.gz FMWRNVIIJOXCJQ-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H](C)CC(F)(F)F ZINC001255633940 970408250 /nfs/dbraw/zinc/40/82/50/970408250.db2.gz QKQFHRRQFSCIQI-ZETCQYMHSA-N 2 1 235.253 2.206 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](CC)CCOC ZINC001255955973 970594456 /nfs/dbraw/zinc/59/44/56/970594456.db2.gz YIUSGXCKHVTLLN-CYBMUJFWSA-N 2 1 230.396 2.075 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CC(C)(C)C1 ZINC001255955975 970597794 /nfs/dbraw/zinc/59/77/94/970597794.db2.gz YKSHZJYKARALMS-GFCCVEGCSA-N 2 1 212.381 2.449 20 0 BEADMP CC1(C)CC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256077640 970650727 /nfs/dbraw/zinc/65/07/27/970650727.db2.gz QJRSXWGAVQUVHQ-UHFFFAOYSA-N 2 1 222.376 2.345 20 0 BEADMP CC1(C)CC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256077640 970650736 /nfs/dbraw/zinc/65/07/36/970650736.db2.gz QJRSXWGAVQUVHQ-UHFFFAOYSA-N 2 1 222.376 2.345 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C(F)(F)F)C2)CC[NH2+]1 ZINC000304455513 1166919816 /nfs/dbraw/zinc/91/98/16/1166919816.db2.gz WWQURMTUVKPSSM-OPRDCNLKSA-N 2 1 236.281 2.011 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C(F)(F)F)C2)CC[NH2+]1 ZINC000304455513 1166919824 /nfs/dbraw/zinc/91/98/24/1166919824.db2.gz WWQURMTUVKPSSM-OPRDCNLKSA-N 2 1 236.281 2.011 20 0 BEADMP COCC[NH+]1CCC([NH2+]C2CCCCC2)CC1 ZINC000237105103 1166925457 /nfs/dbraw/zinc/92/54/57/1166925457.db2.gz OAPCVSJXHITQRB-UHFFFAOYSA-N 2 1 240.391 2.020 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)Nc1cc[nH+]cc1 ZINC000381561565 1166945626 /nfs/dbraw/zinc/94/56/26/1166945626.db2.gz RMDVXMAIYYQBQN-LBPRGKRZSA-N 2 1 221.348 2.036 20 0 BEADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H]3C[C@H]3C2)[C@H](C)C1 ZINC001167924651 1166958912 /nfs/dbraw/zinc/95/89/12/1166958912.db2.gz SGUCNECCPIFXEC-NIFZNCRKSA-N 2 1 236.403 2.493 20 0 BEADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@H]3C2)[C@H](C)C1 ZINC001167924650 1166959156 /nfs/dbraw/zinc/95/91/56/1166959156.db2.gz SGUCNECCPIFXEC-MRLBHPIUSA-N 2 1 236.403 2.493 20 0 BEADMP CC[C@H]1CC[C@H](n2c[nH+]cc2CC[NH3+])C1 ZINC001173260447 975108235 /nfs/dbraw/zinc/10/82/35/975108235.db2.gz MRHMJWBNNWIJFE-QWRGUYRKSA-N 2 1 207.321 2.136 20 0 BEADMP CC(C)CNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001161648848 1167069046 /nfs/dbraw/zinc/06/90/46/1167069046.db2.gz TYJHUOYVEVMMPD-UHFFFAOYSA-N 2 1 244.342 2.089 20 0 BEADMP CCC[C@@H](CC)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000134099213 1167073394 /nfs/dbraw/zinc/07/33/94/1167073394.db2.gz RIWYGUFJMFMGRL-CYBMUJFWSA-N 2 1 242.407 2.266 20 0 BEADMP C1=CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167983818 1167080662 /nfs/dbraw/zinc/08/06/62/1167080662.db2.gz IOTMICXGBVAXBM-YIONKMFJSA-N 2 1 232.371 2.264 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)CCC(C)C)C1 ZINC000251394394 1167140417 /nfs/dbraw/zinc/14/04/17/1167140417.db2.gz KPGDIFINHNNYJY-OLZOCXBDSA-N 2 1 212.381 2.352 20 0 BEADMP C1C[C@@H]2CCC[N@@H+](C3CC[NH2+]CC3)[C@H]2C1 ZINC000251460546 1167151111 /nfs/dbraw/zinc/15/11/11/1167151111.db2.gz UQAKYJFFVRZJAD-YPMHNXCESA-N 2 1 208.349 2.003 20 0 BEADMP C1C[C@@H]2CCC[N@H+](C3CC[NH2+]CC3)[C@H]2C1 ZINC000251460546 1167151114 /nfs/dbraw/zinc/15/11/14/1167151114.db2.gz UQAKYJFFVRZJAD-YPMHNXCESA-N 2 1 208.349 2.003 20 0 BEADMP CCC[N@@H+](CC(C)C)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000308804533 1167199979 /nfs/dbraw/zinc/19/99/79/1167199979.db2.gz AGLFTHMQEWJUPQ-CHWSQXEVSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)C1 ZINC000308800137 1167200923 /nfs/dbraw/zinc/20/09/23/1167200923.db2.gz DJVGPPMTVMUBFL-FRRDWIJNSA-N 2 1 210.365 2.236 20 0 BEADMP CCC[N@@H+](CC(C)C)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000308804536 1167200956 /nfs/dbraw/zinc/20/09/56/1167200956.db2.gz AGLFTHMQEWJUPQ-QWHCGFSZSA-N 2 1 212.381 2.495 20 0 BEADMP CSCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000308965596 1167227528 /nfs/dbraw/zinc/22/75/28/1167227528.db2.gz VIRZNEKWQAFYLR-WOPDTQHZSA-N 2 1 230.421 2.058 20 0 BEADMP CSCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000308965596 1167227535 /nfs/dbraw/zinc/22/75/35/1167227535.db2.gz VIRZNEKWQAFYLR-WOPDTQHZSA-N 2 1 230.421 2.058 20 0 BEADMP CCCC[C@@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000309023470 1167238911 /nfs/dbraw/zinc/23/89/11/1167238911.db2.gz WKZALUMOPUXKMZ-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]C1CCCC1 ZINC000309032283 1167242958 /nfs/dbraw/zinc/24/29/58/1167242958.db2.gz FOUQPWHXOJIDTJ-OLZOCXBDSA-N 2 1 210.365 2.391 20 0 BEADMP CC[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC000309236974 1167271836 /nfs/dbraw/zinc/27/18/36/1167271836.db2.gz XSKHLAYIAOYXFS-AVGNSLFASA-N 2 1 212.381 2.493 20 0 BEADMP CC[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC000309236972 1167271256 /nfs/dbraw/zinc/27/12/56/1167271256.db2.gz XSKHLAYIAOYXFS-AGIUHOORSA-N 2 1 212.381 2.493 20 0 BEADMP C[C@H](CC[NH2+]Cc1cccn1C1CC1)[NH+](C)C ZINC001333720286 976026492 /nfs/dbraw/zinc/02/64/92/976026492.db2.gz VSEZITYZEYUSSX-GFCCVEGCSA-N 2 1 235.375 2.253 20 0 BEADMP CCCC[C@H](CC)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309409526 1167301968 /nfs/dbraw/zinc/30/19/68/1167301968.db2.gz KABQJUBGNWPMEC-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[NH2+]CC[N@@H+](CCCC2CCCC2)C1 ZINC000225275568 1167362468 /nfs/dbraw/zinc/36/24/68/1167362468.db2.gz CNAVHSFXFPDESM-CYBMUJFWSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3F)CC[C@H]1[NH3+] ZINC000251617099 1167450010 /nfs/dbraw/zinc/45/00/10/1167450010.db2.gz DTEYCLRRZGABKQ-VCTAVGKDSA-N 2 1 248.345 2.482 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)Nc1cc[nH+]cc1 ZINC000381429088 1167601603 /nfs/dbraw/zinc/60/16/03/1167601603.db2.gz ZYOGCQMIVBXARA-GFCCVEGCSA-N 2 1 221.348 2.036 20 0 BEADMP CCCC[N@@H+](CCC)CC1CC[NH2+]CC1 ZINC000086701944 1167640739 /nfs/dbraw/zinc/64/07/39/1167640739.db2.gz QCFKQAXSAGJHQM-UHFFFAOYSA-N 2 1 212.381 2.498 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@H]1C ZINC000310397862 1167682235 /nfs/dbraw/zinc/68/22/35/1167682235.db2.gz MIFPGUTWJHAJDJ-QMIVOQANSA-N 2 1 236.403 2.352 20 0 BEADMP CCC[C@H](C[N@@H+](C)C1CCC([NH3+])CC1)OC ZINC000386437205 1167710340 /nfs/dbraw/zinc/71/03/40/1167710340.db2.gz MFBLKWMQNZIVPZ-WXRRBKDZSA-N 2 1 228.380 2.003 20 0 BEADMP C[C@@H]1CC[N@H+](CC[C@H]2COC(C)(C)[NH2+]2)[C@H](C)C1 ZINC001235820724 979160137 /nfs/dbraw/zinc/16/01/37/979160137.db2.gz UCCOJWSIDUCFCK-UPJWGTAASA-N 2 1 240.391 2.221 20 0 BEADMP C[C@@H]1CC[N@@H+](CC[C@H]2COC(C)(C)[NH2+]2)[C@H](C)C1 ZINC001235820724 979160147 /nfs/dbraw/zinc/16/01/47/979160147.db2.gz UCCOJWSIDUCFCK-UPJWGTAASA-N 2 1 240.391 2.221 20 0 BEADMP CS[C@H](C)CC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315220 979524443 /nfs/dbraw/zinc/52/44/43/979524443.db2.gz WHQWNLQJKNWGMC-UPJWGTAASA-N 2 1 242.432 2.059 20 0 BEADMP CC(C)CC[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206542130 979646912 /nfs/dbraw/zinc/64/69/12/979646912.db2.gz SDXMLUZCXBQJDL-CYBMUJFWSA-N 2 1 212.381 2.483 20 0 BEADMP CCC[C@@H]1C[N@@H+](CCCCCCC[NH3+])CCO1 ZINC000708896438 1168380740 /nfs/dbraw/zinc/38/07/40/1168380740.db2.gz DEZOFMWXTJWKSM-CQSZACIVSA-N 2 1 242.407 2.397 20 0 BEADMP C[C@H](C[NH2+][C@H]1CCC[NH2+][C@@H]1C)CC(F)F ZINC000697716430 1168410231 /nfs/dbraw/zinc/41/02/31/1168410231.db2.gz KMSKEZMQKGNYSK-AEJSXWLSSA-N 2 1 220.307 2.008 20 0 BEADMP CC(C)CC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC000037484738 1168418878 /nfs/dbraw/zinc/41/88/78/1168418878.db2.gz ARIUGHDZUNOUIH-CHWSQXEVSA-N 2 1 212.381 2.352 20 0 BEADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CC2CCCC2)CC1 ZINC001205539363 980914798 /nfs/dbraw/zinc/91/47/98/980914798.db2.gz XNUIAAOOYZFZKW-CYBMUJFWSA-N 2 1 228.355 2.330 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C[NH2+]1 ZINC001246349849 1168635357 /nfs/dbraw/zinc/63/53/57/1168635357.db2.gz WKXVYZWHHYLJEN-WCQYABFASA-N 2 1 243.354 2.050 20 0 BEADMP c1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc[nH+]1 ZINC000227334113 1168658545 /nfs/dbraw/zinc/65/85/45/1168658545.db2.gz MFZAQQAQOHQLGQ-STQMWFEESA-N 2 1 217.316 2.120 20 0 BEADMP CC[C@H](C)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205605136 1168791094 /nfs/dbraw/zinc/79/10/94/1168791094.db2.gz ZFSKTNUGBGMHML-XQQFMLRXSA-N 2 1 212.381 2.339 20 0 BEADMP Cc1cc(F)cc(NCC[C@H](C)[NH+](C)C)[nH+]1 ZINC001354235975 983215338 /nfs/dbraw/zinc/21/53/38/983215338.db2.gz JUOGOVFOWOWZLX-JTQLQIEISA-N 2 1 225.311 2.281 20 0 BEADMP CCC(CC)C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001201534902 983288300 /nfs/dbraw/zinc/28/83/00/983288300.db2.gz DAAHIXHFVLGZGV-UHFFFAOYSA-N 2 1 221.348 2.177 20 0 BEADMP CCC(CC)C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001201534902 983288306 /nfs/dbraw/zinc/28/83/06/983288306.db2.gz DAAHIXHFVLGZGV-UHFFFAOYSA-N 2 1 221.348 2.177 20 0 BEADMP CC(C)CC[NH+]1CCC([NH+]2CCC2)CC1 ZINC001201630078 983357217 /nfs/dbraw/zinc/35/72/17/983357217.db2.gz KELKQVWRFVHINY-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21)C1CCCC1 ZINC001308983264 1169055572 /nfs/dbraw/zinc/05/55/72/1169055572.db2.gz BVPJGNMQJYRLQU-SPWCGHHHSA-N 2 1 236.403 2.495 20 0 BEADMP CO[C@@H]1CC[C@H](C)[N@@H+](CCCCCCC[NH3+])C1 ZINC000687197959 1169122710 /nfs/dbraw/zinc/12/27/10/1169122710.db2.gz UXZMLYLYFISVFH-UONOGXRCSA-N 2 1 242.407 2.395 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCC1CCC1 ZINC000689071999 1169169090 /nfs/dbraw/zinc/16/90/90/1169169090.db2.gz WNUFUCIVSILLBJ-DGCLKSJQSA-N 2 1 210.365 2.297 20 0 BEADMP CC[N@H+](CCC[NH2+]C1CC1)CCC(F)(F)F ZINC000689156366 1169222302 /nfs/dbraw/zinc/22/23/02/1169222302.db2.gz APHMQNNGFUDYTM-UHFFFAOYSA-N 2 1 238.297 2.403 20 0 BEADMP CC[N@@H+](CCC[NH2+]C1CC1)CCC(F)(F)F ZINC000689156366 1169222312 /nfs/dbraw/zinc/22/23/12/1169222312.db2.gz APHMQNNGFUDYTM-UHFFFAOYSA-N 2 1 238.297 2.403 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)cs1 ZINC000379828356 1169232882 /nfs/dbraw/zinc/23/28/82/1169232882.db2.gz YCSPXMJREHBLSP-LLVKDONJSA-N 2 1 224.373 2.227 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cs1 ZINC000379828357 1169232298 /nfs/dbraw/zinc/23/22/98/1169232298.db2.gz YCSPXMJREHBLSP-NSHDSACASA-N 2 1 224.373 2.227 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H](OC)C1 ZINC001255954439 1169272284 /nfs/dbraw/zinc/27/22/84/1169272284.db2.gz DOQOVZANTXYCGZ-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP CC[C@@H](CC(C)C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001172384479 974727408 /nfs/dbraw/zinc/72/74/08/974727408.db2.gz INZHPCCJMQYRDC-STQMWFEESA-N 2 1 212.381 2.352 20 0 BEADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246542264 972568829 /nfs/dbraw/zinc/56/88/29/972568829.db2.gz NZNJWVZWNMQXSB-RDBSUJKOSA-N 2 1 242.407 2.393 20 0 BEADMP CSCC[C@@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246549605 972695322 /nfs/dbraw/zinc/69/53/22/972695322.db2.gz MMYXUUXDALAISA-VXGBXAGGSA-N 2 1 248.411 2.281 20 0 BEADMP Cc1[nH+]ccn1-c1ccc(C[NH+](C)C)cc1 ZINC001138543613 1169358497 /nfs/dbraw/zinc/35/84/97/1169358497.db2.gz RMPWPSXTVCEEIS-UHFFFAOYSA-N 2 1 215.300 2.242 20 0 BEADMP CC1(C)C[C@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CO1 ZINC001246572958 972864361 /nfs/dbraw/zinc/86/43/61/972864361.db2.gz DSOHJILIZWFVCE-GXTWGEPZSA-N 2 1 240.391 2.005 20 0 BEADMP CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246666659 973078143 /nfs/dbraw/zinc/07/81/43/973078143.db2.gz WVMYHYMFPFBHBB-XHJNMGKDSA-N 2 1 224.392 2.336 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)[C@@H](C)Cc1ccccn1 ZINC001256425713 970834320 /nfs/dbraw/zinc/83/43/20/970834320.db2.gz JEDDVRJYPLKMGT-AWEZNQCLSA-N 2 1 249.402 2.286 20 0 BEADMP CC[C@H](C)[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256624038 970889372 /nfs/dbraw/zinc/88/93/72/970889372.db2.gz PWAGAJCAABTMGH-ACJTYDJDSA-N 2 1 210.365 2.342 20 0 BEADMP CC[C@H](C)[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256624038 970889373 /nfs/dbraw/zinc/88/93/73/970889373.db2.gz PWAGAJCAABTMGH-ACJTYDJDSA-N 2 1 210.365 2.342 20 0 BEADMP CC[C@H](C)[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256624038 970889381 /nfs/dbraw/zinc/88/93/81/970889381.db2.gz PWAGAJCAABTMGH-ACJTYDJDSA-N 2 1 210.365 2.342 20 0 BEADMP C[C@H]1CCCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256621113 970887510 /nfs/dbraw/zinc/88/75/10/970887510.db2.gz KOLAETVAOWQEGT-ICIURTGMSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256621113 970887513 /nfs/dbraw/zinc/88/75/13/970887513.db2.gz KOLAETVAOWQEGT-ICIURTGMSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256621113 970887518 /nfs/dbraw/zinc/88/75/18/970887518.db2.gz KOLAETVAOWQEGT-ICIURTGMSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256621113 970887525 /nfs/dbraw/zinc/88/75/25/970887525.db2.gz KOLAETVAOWQEGT-ICIURTGMSA-N 2 1 222.376 2.486 20 0 BEADMP [NH3+]C[C@H]1C[N@@H+](CC2CCCCC2)CCC1(F)F ZINC000403216031 970896924 /nfs/dbraw/zinc/89/69/24/970896924.db2.gz GOKPBAVOFQTDOU-LBPRGKRZSA-N 2 1 246.345 2.483 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@@H](C)Cc1ccncc1 ZINC001256719861 970940664 /nfs/dbraw/zinc/94/06/64/970940664.db2.gz VIIMTBIPIVKBEI-ZDUSSCGKSA-N 2 1 235.375 2.073 20 0 BEADMP C[C@@H](Cc1ccncc1)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001256722946 970945660 /nfs/dbraw/zinc/94/56/60/970945660.db2.gz LZGOOLKVGVOWEH-DZGCQCFKSA-N 2 1 247.386 2.087 20 0 BEADMP CC[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256854983 970997442 /nfs/dbraw/zinc/99/74/42/970997442.db2.gz CHILMWAIGRPHRF-UHFFFAOYSA-N 2 1 219.332 2.002 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC=C(Cl)Cl)C[C@H]21 ZINC000403636650 970998466 /nfs/dbraw/zinc/99/84/66/970998466.db2.gz OIXYPFWDIQVCOC-OPRDCNLKSA-N 2 1 249.185 2.365 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC=C(Cl)Cl)C[C@H]21 ZINC000403636650 970998477 /nfs/dbraw/zinc/99/84/77/970998477.db2.gz OIXYPFWDIQVCOC-OPRDCNLKSA-N 2 1 249.185 2.365 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000403637631 970999436 /nfs/dbraw/zinc/99/94/36/970999436.db2.gz GRURIJOKTYXMRO-KFWWJZLASA-N 2 1 248.414 2.498 20 0 BEADMP CC[C@@H]1C[N@@H+](CCCCCCC[NH3+])[C@@H](C)CO1 ZINC000403915625 971089284 /nfs/dbraw/zinc/08/92/84/971089284.db2.gz OPDNKBAPYNHXIM-UONOGXRCSA-N 2 1 242.407 2.395 20 0 BEADMP CCC[N@@H+](CCC[NH3+])C1C[C@H](C)O[C@@H](C)C1 ZINC001257073718 971089208 /nfs/dbraw/zinc/08/92/08/971089208.db2.gz TWRIWVWHUAPISW-RYUDHWBXSA-N 2 1 228.380 2.003 20 0 BEADMP CC(C)[NH+]1CCC([N@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001257217969 971126864 /nfs/dbraw/zinc/12/68/64/971126864.db2.gz QKWFBZQKYNXFCM-OKILXGFUSA-N 2 1 236.403 2.447 20 0 BEADMP CC(C)[NH+]1CCC([N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001257217969 971126869 /nfs/dbraw/zinc/12/68/69/971126869.db2.gz QKWFBZQKYNXFCM-OKILXGFUSA-N 2 1 236.403 2.447 20 0 BEADMP CC(C)[NH+]1CCC([NH+]2C3CCC2CC3)CC1 ZINC001257217320 971132099 /nfs/dbraw/zinc/13/20/99/971132099.db2.gz LYPWWFLEUDMELS-UHFFFAOYSA-N 2 1 222.376 2.486 20 0 BEADMP CCC[C@H](CC)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001257250304 971145236 /nfs/dbraw/zinc/14/52/36/971145236.db2.gz YPJJDEBHGRGRKE-AWEZNQCLSA-N 3 1 243.439 2.168 20 0 BEADMP CCC[C@H](CC)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001257250304 971145241 /nfs/dbraw/zinc/14/52/41/971145241.db2.gz YPJJDEBHGRGRKE-AWEZNQCLSA-N 3 1 243.439 2.168 20 0 BEADMP Cc1cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)sn1 ZINC000404468992 971166198 /nfs/dbraw/zinc/16/61/98/971166198.db2.gz WJURDPWZIKTNPW-NSHDSACASA-N 2 1 239.388 2.012 20 0 BEADMP Cc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)sn1 ZINC000404468992 971166205 /nfs/dbraw/zinc/16/62/05/971166205.db2.gz WJURDPWZIKTNPW-NSHDSACASA-N 2 1 239.388 2.012 20 0 BEADMP CCC[C@H](CC)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001257267725 971168926 /nfs/dbraw/zinc/16/89/26/971168926.db2.gz YWGPRHSGUCWHGO-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP CCCC(CCC)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001257334080 971181616 /nfs/dbraw/zinc/18/16/16/971181616.db2.gz ZWQMHXMJTNFLLC-NSHDSACASA-N 2 1 200.370 2.482 20 0 BEADMP CCC(CC)[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001257301381 971189902 /nfs/dbraw/zinc/18/99/02/971189902.db2.gz DMMHKAQSSZAYPX-TXEJJXNPSA-N 2 1 210.365 2.059 20 0 BEADMP CCC(CC)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001257301381 971189909 /nfs/dbraw/zinc/18/99/09/971189909.db2.gz DMMHKAQSSZAYPX-TXEJJXNPSA-N 2 1 210.365 2.059 20 0 BEADMP CCC(CC)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001257301381 971189914 /nfs/dbraw/zinc/18/99/14/971189914.db2.gz DMMHKAQSSZAYPX-TXEJJXNPSA-N 2 1 210.365 2.059 20 0 BEADMP CCC(CC)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001257302927 971191488 /nfs/dbraw/zinc/19/14/88/971191488.db2.gz GCGPAICPDYQSOK-ZDUSSCGKSA-N 2 1 210.365 2.203 20 0 BEADMP CCC(CC)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001257302927 971191497 /nfs/dbraw/zinc/19/14/97/971191497.db2.gz GCGPAICPDYQSOK-ZDUSSCGKSA-N 2 1 210.365 2.203 20 0 BEADMP CCC[C@@H](C)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257312590 971205420 /nfs/dbraw/zinc/20/54/20/971205420.db2.gz ZEPMMQWGASQVBL-JHJVBQTASA-N 2 1 240.391 2.146 20 0 BEADMP [NH3+]C1(c2cccnc2)CC[NH+](C2CCCC2)CC1 ZINC001257346737 971257267 /nfs/dbraw/zinc/25/72/67/971257267.db2.gz UXCIBIVHSWSEPP-UHFFFAOYSA-N 2 1 245.370 2.274 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@](C)([NH3+])C2)c1C ZINC000405714160 971296436 /nfs/dbraw/zinc/29/64/36/971296436.db2.gz BFECDLHLVQXSSJ-AWEZNQCLSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@](C)([NH3+])C2)c1C ZINC000405714160 971296443 /nfs/dbraw/zinc/29/64/43/971296443.db2.gz BFECDLHLVQXSSJ-AWEZNQCLSA-N 2 1 218.344 2.227 20 0 BEADMP CC(C)(CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CC1 ZINC000405937403 971320524 /nfs/dbraw/zinc/32/05/24/971320524.db2.gz BLQKJVZPKKNBTE-QWHCGFSZSA-N 2 1 236.403 2.354 20 0 BEADMP C[NH+]1C(C)(C)CC([NH2+]CCF)CC1(C)C ZINC001171618813 974116039 /nfs/dbraw/zinc/11/60/39/974116039.db2.gz DCBBRWKZFAMYAW-UHFFFAOYSA-N 2 1 216.344 2.197 20 0 BEADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170714762 971628779 /nfs/dbraw/zinc/62/87/79/971628779.db2.gz ACTHPMOMSIOJRX-CNDDSTCGSA-N 2 1 233.359 2.300 20 0 BEADMP N[C@@H]1CC[N@@H+](C[C@@H]2CC=CCC2)CC[C@H]1F ZINC001206155566 974329766 /nfs/dbraw/zinc/32/97/66/974329766.db2.gz MGGVDBYUVHOCRS-JHJVBQTASA-N 2 1 226.339 2.104 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](C[C@@H]2CC=CCC2)CC[C@H]1F ZINC001206155566 974329780 /nfs/dbraw/zinc/32/97/80/974329780.db2.gz MGGVDBYUVHOCRS-JHJVBQTASA-N 2 1 226.339 2.104 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2CC=CCC2)CC[C@H]1F ZINC001206155566 974329790 /nfs/dbraw/zinc/32/97/90/974329790.db2.gz MGGVDBYUVHOCRS-JHJVBQTASA-N 2 1 226.339 2.104 20 0 BEADMP [NH3+][C@H]1CC[N@H+](CCc2cccs2)CC[C@@H]1F ZINC001206154516 974330540 /nfs/dbraw/zinc/33/05/40/974330540.db2.gz JPGQJNMZAQPBJK-RYUDHWBXSA-N 2 1 242.363 2.052 20 0 BEADMP [NH3+][C@H]1CC[N@@H+](CCc2cccs2)CC[C@@H]1F ZINC001206154516 974330550 /nfs/dbraw/zinc/33/05/50/974330550.db2.gz JPGQJNMZAQPBJK-RYUDHWBXSA-N 2 1 242.363 2.052 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](Oc2cccc(C[NH3+])c2)C1 ZINC001218291949 971690634 /nfs/dbraw/zinc/69/06/34/971690634.db2.gz MKLXMRYFDARYQX-CQSZACIVSA-N 2 1 234.343 2.007 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170738709 971691767 /nfs/dbraw/zinc/69/17/67/971691767.db2.gz KEUARZCFMDXHLO-RGDJUOJXSA-N 2 1 236.403 2.351 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170738709 971691771 /nfs/dbraw/zinc/69/17/71/971691771.db2.gz KEUARZCFMDXHLO-RGDJUOJXSA-N 2 1 236.403 2.351 20 0 BEADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170765993 971755255 /nfs/dbraw/zinc/75/52/55/971755255.db2.gz ZZCDEERHDVUXFE-AQDIXCGQSA-N 2 1 248.414 2.305 20 0 BEADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC=C(Cl)Cl ZINC000407161996 971772712 /nfs/dbraw/zinc/77/27/12/971772712.db2.gz YJOSYNVKGFLYAY-RQJHMYQMSA-N 2 1 223.147 2.021 20 0 BEADMP [NH3+]C[C@@H]1CCCC[N@@H+](CCOc2ccccc2)C1 ZINC000311211274 971995560 /nfs/dbraw/zinc/99/55/60/971995560.db2.gz LCQULTGPAAWBEZ-AWEZNQCLSA-N 2 1 248.370 2.126 20 0 BEADMP C[C@@H]([NH3+])CCNc1[nH+]ccc2c3c([nH]c21)CCC3 ZINC001159779350 972107373 /nfs/dbraw/zinc/10/73/73/972107373.db2.gz FWQNAIITTVPIRU-SECBINFHSA-N 2 1 244.342 2.201 20 0 BEADMP CCCCC[C@@H](O)C[NH2+]C[C@]1(CCC)CC[NH2+]1 ZINC001246015522 972117273 /nfs/dbraw/zinc/11/72/73/972117273.db2.gz CMLKAOUUYNBADR-KGLIPLIRSA-N 2 1 242.407 2.049 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246085419 972141422 /nfs/dbraw/zinc/14/14/22/972141422.db2.gz QRJCGIXRUSTJHX-XUXIUFHCSA-N 2 1 242.407 2.310 20 0 BEADMP CC(C)=CCC[C@@H](C)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246132249 972191429 /nfs/dbraw/zinc/19/14/29/972191429.db2.gz LHMWNPXTVVXLHO-OLZOCXBDSA-N 2 1 222.376 2.463 20 0 BEADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC[NH2+]C1CC1 ZINC000692939552 956881995 /nfs/dbraw/zinc/88/19/95/956881995.db2.gz IKIBMXKFETUPPF-QXMXGUDHSA-N 2 1 222.376 2.391 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(CC3)CC2)C1 ZINC001208605996 957092978 /nfs/dbraw/zinc/09/29/78/957092978.db2.gz CVIXUUSBXIUBTH-ZDUSSCGKSA-N 2 1 222.376 2.204 20 0 BEADMP CC(C)C([NH2+][C@H]1CC[C@H](C)[NH2+]C1)C(C)C ZINC001246235404 972240956 /nfs/dbraw/zinc/24/09/56/972240956.db2.gz GJTMAJIHPSDGAX-RYUDHWBXSA-N 2 1 212.381 2.397 20 0 BEADMP C[C@@H]1CC[N@H+](C[C@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC001208613175 957100325 /nfs/dbraw/zinc/10/03/25/957100325.db2.gz QSGCKUDEIICCIZ-RDBSUJKOSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC001208613175 957100329 /nfs/dbraw/zinc/10/03/29/957100329.db2.gz QSGCKUDEIICCIZ-RDBSUJKOSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](C)C2)[C@@H](C)C1 ZINC001208613175 957100337 /nfs/dbraw/zinc/10/03/37/957100337.db2.gz QSGCKUDEIICCIZ-RDBSUJKOSA-N 2 1 224.392 2.449 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(CF)CC2)C1 ZINC001208612291 957101730 /nfs/dbraw/zinc/10/17/30/957101730.db2.gz MEUNVUVOUOVVNO-ZDUSSCGKSA-N 2 1 228.355 2.010 20 0 BEADMP Cc1ccc2[nH+]c(N)n(C3=CC[N@@H+](C)CC3)c2c1 ZINC001208719565 957136691 /nfs/dbraw/zinc/13/66/91/957136691.db2.gz SGYHZGQHEARBDM-UHFFFAOYSA-N 2 1 242.326 2.103 20 0 BEADMP C[NH+](C)Cc1ccc(NC2=CC[N@@H+](C)CC2)cc1 ZINC001208836725 957175490 /nfs/dbraw/zinc/17/54/90/957175490.db2.gz AFSUPJRNITXMTR-UHFFFAOYSA-N 2 1 245.370 2.380 20 0 BEADMP C[C@@H]1CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000705581196 957354308 /nfs/dbraw/zinc/35/43/08/957354308.db2.gz HREXQXQPOKDGKM-HABKJSAYSA-N 2 1 222.376 2.391 20 0 BEADMP C[N@H+]1CC[C@H](Nc2ccc([C@H]3CCC[NH2+]3)cc2)C1 ZINC001167278820 957626984 /nfs/dbraw/zinc/62/69/84/957626984.db2.gz TYMGJEJLHYVWRC-LSDHHAIUSA-N 2 1 245.370 2.227 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC23CCCCC3)C[NH2+]1 ZINC000399013775 958483463 /nfs/dbraw/zinc/48/34/63/958483463.db2.gz ZYMMFMHIIBYHMK-JHJVBQTASA-N 2 1 222.376 2.439 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC23CCCC3)C[NH2+]1 ZINC000399041109 958497504 /nfs/dbraw/zinc/49/75/04/958497504.db2.gz QEYKQMPMQBABIA-UTUOFQBUSA-N 2 1 208.349 2.049 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CCCC(F)(F)F)C[NH2+]1 ZINC000399221966 958566013 /nfs/dbraw/zinc/56/60/13/958566013.db2.gz CHOSZYXWAYYMHZ-RKDXNWHRSA-N 2 1 224.270 2.059 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]CCCOc2ccccc2)C[NH2+]1 ZINC000399220267 958569230 /nfs/dbraw/zinc/56/92/30/958569230.db2.gz KIELMKUINBDONH-UONOGXRCSA-N 2 1 248.370 2.186 20 0 BEADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@@H]2C[C@@H]21 ZINC001246501993 972362388 /nfs/dbraw/zinc/36/23/88/972362388.db2.gz FJEPOGFBGXTEHU-XDQVBPFNSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000693578904 958868159 /nfs/dbraw/zinc/86/81/59/958868159.db2.gz LMQQTJVSBOSEJB-SJHCENCUSA-N 2 1 210.365 2.090 20 0 BEADMP Cc1cccc(C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000693592269 958902832 /nfs/dbraw/zinc/90/28/32/958902832.db2.gz PKPQNKMCKCYDML-OKILXGFUSA-N 2 1 218.344 2.164 20 0 BEADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccccn1 ZINC000405250582 959422479 /nfs/dbraw/zinc/42/24/79/959422479.db2.gz JOAJFVOOQFYWJF-DRZSPHRISA-N 2 1 231.343 2.002 20 0 BEADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000300993769 959489735 /nfs/dbraw/zinc/48/97/35/959489735.db2.gz WAEHFIHHWDFJQL-CHWSQXEVSA-N 2 1 212.381 2.339 20 0 BEADMP C[C@H](C[N@@H+]1CC[C@](C)([NH3+])C1)c1ccccc1 ZINC000405734534 959499254 /nfs/dbraw/zinc/49/92/54/959499254.db2.gz ACHMGDPWSKJXAF-OCCSQVGLSA-N 2 1 218.344 2.213 20 0 BEADMP C[C@H](C[N@H+]1CC[C@](C)([NH3+])C1)c1ccccc1 ZINC000405734534 959499264 /nfs/dbraw/zinc/49/92/64/959499264.db2.gz ACHMGDPWSKJXAF-OCCSQVGLSA-N 2 1 218.344 2.213 20 0 BEADMP CC(C)(CC[N@H+]1CCC[C@@H](C[NH3+])C1)C1CC1 ZINC000406084224 959573509 /nfs/dbraw/zinc/57/35/09/959573509.db2.gz YXGIHURWKCSKJD-LBPRGKRZSA-N 2 1 224.392 2.483 20 0 BEADMP C=Cc1ccccc1NC(=[NH2+])SCC[NH3+] ZINC001167913530 959764622 /nfs/dbraw/zinc/76/46/22/959764622.db2.gz BICKNKTZNFOOMH-UHFFFAOYSA-N 2 1 221.329 2.368 20 0 BEADMP C[C@H]1C[N@H+](C2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000708830770 959860324 /nfs/dbraw/zinc/86/03/24/959860324.db2.gz PDHAMIXOBSSTDT-CMOBGSAGSA-N 2 1 210.365 2.092 20 0 BEADMP Fc1ccc2c(c1)C[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207438039 960094499 /nfs/dbraw/zinc/09/44/99/960094499.db2.gz RYRFQHJGYGLBDV-UHFFFAOYSA-N 2 1 234.318 2.141 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1(Cl)CC1 ZINC000695675184 960347269 /nfs/dbraw/zinc/34/72/69/960347269.db2.gz RZULGRPPQJXESS-GMTAPVOTSA-N 2 1 230.783 2.219 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1(Cl)CC1 ZINC000695675184 960347276 /nfs/dbraw/zinc/34/72/76/960347276.db2.gz RZULGRPPQJXESS-GMTAPVOTSA-N 2 1 230.783 2.219 20 0 BEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccnc1 ZINC000709448572 960612783 /nfs/dbraw/zinc/61/27/83/960612783.db2.gz NVSHZQLZPGDGSA-BKQLOGFTSA-N 2 1 231.343 2.015 20 0 BEADMP CC1(C)CC[C@@H](C[NH2+]C2CCCC2)[NH2+]C1 ZINC000686973432 960904098 /nfs/dbraw/zinc/90/40/98/960904098.db2.gz ALIYYOHUNCMMIV-LBPRGKRZSA-N 2 1 210.365 2.297 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC3CCC2CC3)C1 ZINC000310169255 961164235 /nfs/dbraw/zinc/16/42/35/961164235.db2.gz OZIRMGBPYVHIBX-SHWKFHJASA-N 2 1 236.403 2.497 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H]1COC ZINC001167834916 961207829 /nfs/dbraw/zinc/20/78/29/961207829.db2.gz NTYNWZGZUFOKQM-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167911244 961815098 /nfs/dbraw/zinc/81/50/98/961815098.db2.gz ATVBRFHSAJJNHI-VWLPUNTISA-N 2 1 234.387 2.390 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167911244 961815104 /nfs/dbraw/zinc/81/51/04/961815104.db2.gz ATVBRFHSAJJNHI-VWLPUNTISA-N 2 1 234.387 2.390 20 0 BEADMP Cc1c[nH+]c(N2CC[C@]3(C2)CCC[NH2+]C3)c(C)c1 ZINC000709933183 961890801 /nfs/dbraw/zinc/89/08/01/961890801.db2.gz XCUXYJZOBUTESM-OAHLLOKOSA-N 2 1 245.370 2.278 20 0 BEADMP C[N@@H+](C[C@H]1CC2CCC1CC2)C1CC[NH2+]CC1 ZINC000400024144 962185432 /nfs/dbraw/zinc/18/54/32/962185432.db2.gz SVFKMIOTJKXNJW-JXQTWKCFSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@]1([NH3+])CC[N@H+](C2CCC3(CC3)CC2)C1 ZINC000710149198 962334796 /nfs/dbraw/zinc/33/47/96/962334796.db2.gz IUMGUHNRHCBXIM-GFCCVEGCSA-N 2 1 208.349 2.132 20 0 BEADMP C1C[C@H]2CC([N@@H+]3C[C@@H]4CCCC[C@@H]4C3)C[C@@H]1[NH2+]2 ZINC000710749517 962460649 /nfs/dbraw/zinc/46/06/49/962460649.db2.gz RRUCPMGSFQACKQ-RRIFHVCJSA-N 2 1 234.387 2.391 20 0 BEADMP CC1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167985086 963093620 /nfs/dbraw/zinc/09/36/20/963093620.db2.gz VCYZDMFNWOKODE-YIONKMFJSA-N 2 1 234.387 2.344 20 0 BEADMP Cc1[nH+]ccn1CCNc1[nH+]ccc2[nH]ccc21 ZINC001156001693 963226705 /nfs/dbraw/zinc/22/67/05/963226705.db2.gz CYOGABHLOVORLS-UHFFFAOYSA-N 2 1 241.298 2.180 20 0 BEADMP C[C@H]1CC[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000093088599 963292542 /nfs/dbraw/zinc/29/25/42/963292542.db2.gz OYJNFIGVDDRGHY-JSGCOSHPSA-N 2 1 224.392 2.449 20 0 BEADMP C([C@@H]1CCCC[NH2+]C1)[N@H+]1CCC2(CCC2)C1 ZINC000697017446 963639934 /nfs/dbraw/zinc/63/99/34/963639934.db2.gz SBLSYDYOBBEOED-CYBMUJFWSA-N 2 1 222.376 2.252 20 0 BEADMP CCCC[N@@H+](CC)C[C@H]1CCCC[NH2+]C1 ZINC000697049719 963681441 /nfs/dbraw/zinc/68/14/41/963681441.db2.gz BPRXVDFHPGJABU-ZDUSSCGKSA-N 2 1 212.381 2.498 20 0 BEADMP Cc1cc[nH+]c(NCC23CC[NH+](CC2)CC3)c1 ZINC001158823971 963936019 /nfs/dbraw/zinc/93/60/19/963936019.db2.gz HLFMNTZNKILSBC-UHFFFAOYSA-N 2 1 231.343 2.288 20 0 BEADMP Cc1ccc2c(c1)[nH+]ccc2-n1cc(C[NH3+])cn1 ZINC001168260900 964083729 /nfs/dbraw/zinc/08/37/29/964083729.db2.gz DDRPXCRSYZYIIE-UHFFFAOYSA-N 2 1 238.294 2.188 20 0 BEADMP C[C@H]1CC(F)(F)CC[N@@H+]1CCC[NH2+]C1CC1 ZINC000697497951 964113650 /nfs/dbraw/zinc/11/36/50/964113650.db2.gz GHEABMCCKWPHTF-JTQLQIEISA-N 2 1 232.318 2.248 20 0 BEADMP C[C@H]1CC(F)(F)CC[N@H+]1CCC[NH2+]C1CC1 ZINC000697497951 964113656 /nfs/dbraw/zinc/11/36/56/964113656.db2.gz GHEABMCCKWPHTF-JTQLQIEISA-N 2 1 232.318 2.248 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1cc(N)cc[nH+]1)C2 ZINC001160466061 964308104 /nfs/dbraw/zinc/30/81/04/964308104.db2.gz PNEMCDJIRVBCFU-XYYAHUGASA-N 2 1 246.358 2.091 20 0 BEADMP CC[N@@H+](C1CC1)C1CCC([NH+](C)C)CC1 ZINC001168314315 964421492 /nfs/dbraw/zinc/42/14/92/964421492.db2.gz DJNAPNGZFSWBOD-UHFFFAOYSA-N 2 1 210.365 2.344 20 0 BEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H](F)C2)CC1 ZINC001168323442 964446715 /nfs/dbraw/zinc/44/67/15/964446715.db2.gz ZLKRKGWWZFDZFF-PNESKVBLSA-N 2 1 228.355 2.293 20 0 BEADMP C[N@H+]1CCC[C@@H]1CCNc1cc2[nH]ccc2c[nH+]1 ZINC001160966533 964460014 /nfs/dbraw/zinc/46/00/14/964460014.db2.gz NFJWHMZEGWTRNK-GFCCVEGCSA-N 2 1 244.342 2.459 20 0 BEADMP C[C@H](CC[NH2+]Cc1ccsc1)[NH+](C)C ZINC000697872819 964600487 /nfs/dbraw/zinc/60/04/87/964600487.db2.gz RXARRLJLUDATHS-SNVBAGLBSA-N 2 1 212.362 2.178 20 0 BEADMP CCCCc1nc(NCC[NH+](C)C)cc(C)[nH+]1 ZINC001161666927 964673122 /nfs/dbraw/zinc/67/31/22/964673122.db2.gz SGNVTTAPGSVVEF-UHFFFAOYSA-N 2 1 236.363 2.101 20 0 BEADMP Cc1nc(C)c(C[NH2+]CC[C@@H](C)[NH+](C)C)s1 ZINC000697914101 964675544 /nfs/dbraw/zinc/67/55/44/964675544.db2.gz AQMOKPWWNXMJKH-SECBINFHSA-N 2 1 241.404 2.190 20 0 BEADMP CCc1ccc[nH+]c1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001162394553 964956262 /nfs/dbraw/zinc/95/62/62/964956262.db2.gz QTCLLUHKFLKHLR-NEPJUHHUSA-N 2 1 219.332 2.326 20 0 BEADMP CCc1cccc(N[C@@H]2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC001162401571 964960265 /nfs/dbraw/zinc/96/02/65/964960265.db2.gz LHQUZCDXSJRTCJ-ZYHUDNBSSA-N 2 1 219.332 2.326 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H](Nc2cc3[nH+]c[nH]c3cc2F)C1 ZINC001162404032 964962236 /nfs/dbraw/zinc/96/22/36/964962236.db2.gz IIYAFTYTISIICC-RKDXNWHRSA-N 2 1 248.305 2.384 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+]([C@H]2CCc3c2cccc3F)C1 ZINC000250730855 965044849 /nfs/dbraw/zinc/04/48/49/965044849.db2.gz KLKVZEBDSNWECR-ABAIWWIYSA-N 2 1 248.345 2.354 20 0 BEADMP Cc1cc(NC[C@H]2C[NH2+][C@H](C)C2)c2[nH+]ccn2c1 ZINC001162556783 965046989 /nfs/dbraw/zinc/04/69/89/965046989.db2.gz VHEDMUJPFPMTEX-VXGBXAGGSA-N 2 1 244.342 2.053 20 0 BEADMP Cc1ccc(NC[C@@]2(F)CCCC[NH2+]C2)[nH+]c1 ZINC001162572598 965053521 /nfs/dbraw/zinc/05/35/21/965053521.db2.gz HKBFNGPDCUADBV-CYBMUJFWSA-N 2 1 237.322 2.284 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1F ZINC001205093655 965720805 /nfs/dbraw/zinc/72/08/05/965720805.db2.gz DFXQJSFNIMEMMD-ZDUSSCGKSA-N 2 1 236.334 2.447 20 0 BEADMP Cc1nc(C)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)s1 ZINC001205094734 965730940 /nfs/dbraw/zinc/73/09/40/965730940.db2.gz OXLZHMOVQMPWFT-LLVKDONJSA-N 2 1 239.388 2.073 20 0 BEADMP Cc1ccsc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205094778 965731471 /nfs/dbraw/zinc/73/14/71/965731471.db2.gz PFXPRLYEYWGNRK-NSHDSACASA-N 2 1 224.373 2.370 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+](CC2Cc3ccccc3C2)CC1 ZINC001205095529 965757448 /nfs/dbraw/zinc/75/74/48/965757448.db2.gz YKTWABWPSPPGJD-MRXNPFEDSA-N 2 1 244.382 2.215 20 0 BEADMP C[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000699202789 965803461 /nfs/dbraw/zinc/80/34/61/965803461.db2.gz DTZZHSWJOMJVIT-MLQJFRMTSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000699202785 965804753 /nfs/dbraw/zinc/80/47/53/965804753.db2.gz DTZZHSWJOMJVIT-FIBILERRSA-N 2 1 236.403 2.495 20 0 BEADMP [NH3+]CCCCCCC[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000699248614 965823594 /nfs/dbraw/zinc/82/35/94/965823594.db2.gz XGGILGIBRIIKFI-STQMWFEESA-N 2 1 210.365 2.237 20 0 BEADMP C[N@H+](Cc1ccncc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699261438 965823843 /nfs/dbraw/zinc/82/38/43/965823843.db2.gz RSNBRLXEXTWANM-GOOCMWNKSA-N 2 1 245.370 2.044 20 0 BEADMP Cc1cc(F)cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205110585 965833500 /nfs/dbraw/zinc/83/35/00/965833500.db2.gz WHRYYKJMUWUOMX-CQSZACIVSA-N 2 1 236.334 2.447 20 0 BEADMP Cc1c(O)cccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205110104 965834158 /nfs/dbraw/zinc/83/41/58/965834158.db2.gz OQZLQGSGZLJMDT-ZDUSSCGKSA-N 2 1 234.343 2.014 20 0 BEADMP CC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000699305046 965842050 /nfs/dbraw/zinc/84/20/50/965842050.db2.gz LCHRCXBRLBCECV-YHWZYXNKSA-N 2 1 210.365 2.247 20 0 BEADMP CC[NH+]1CCC(N(C)c2cc(C)cc[nH+]2)CC1 ZINC001165067907 965952758 /nfs/dbraw/zinc/95/27/58/965952758.db2.gz GNOXVKNMEHYGIE-UHFFFAOYSA-N 2 1 233.359 2.311 20 0 BEADMP C[N@H+]1CCC[C@@H](CCNc2ccccn2)C1 ZINC001165253038 966008187 /nfs/dbraw/zinc/00/81/87/966008187.db2.gz LKCNUIIRAQDBIE-LBPRGKRZSA-N 2 1 219.332 2.225 20 0 BEADMP CC[C@H](C)C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235123359 966008492 /nfs/dbraw/zinc/00/84/92/966008492.db2.gz JIRJCLONQSZDNO-QWHCGFSZSA-N 2 1 210.365 2.251 20 0 BEADMP CNc1ccc(NCC[C@H]2CCC[N@H+](C)C2)c[nH+]1 ZINC001165278860 966022733 /nfs/dbraw/zinc/02/27/33/966022733.db2.gz MUAHSLGVPORPGI-GFCCVEGCSA-N 2 1 248.374 2.267 20 0 BEADMP CNc1ccc(NCC[C@H]2CCC[N@@H+](C)C2)c[nH+]1 ZINC001165278860 966022745 /nfs/dbraw/zinc/02/27/45/966022745.db2.gz MUAHSLGVPORPGI-GFCCVEGCSA-N 2 1 248.374 2.267 20 0 BEADMP CC1(C[NH3+])C[NH+](CCCC2CCCC2)C1 ZINC001206711155 966194126 /nfs/dbraw/zinc/19/41/26/966194126.db2.gz FWCCYGZJARLWLU-UHFFFAOYSA-N 2 1 210.365 2.237 20 0 BEADMP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1cccc3cc[nH]c31)C2 ZINC001235994313 966214378 /nfs/dbraw/zinc/21/43/78/966214378.db2.gz VBJALPIMHMBPOX-ZFWWWQNUSA-N 2 1 241.338 2.091 20 0 BEADMP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1cccc3cc[nH]c31)C2 ZINC001235994313 966214393 /nfs/dbraw/zinc/21/43/93/966214393.db2.gz VBJALPIMHMBPOX-ZFWWWQNUSA-N 2 1 241.338 2.091 20 0 BEADMP Cc1cccc(C[NH+]2CC(C)(C[NH3+])C2)c1C ZINC001206712132 966260333 /nfs/dbraw/zinc/26/03/33/966260333.db2.gz SIJPPJJNUPVRLG-UHFFFAOYSA-N 2 1 218.344 2.084 20 0 BEADMP CC(C)[NH+]1CCC(CNc2ccc(N)[nH+]c2)CC1 ZINC001166616246 966336015 /nfs/dbraw/zinc/33/60/15/966336015.db2.gz XDOXVSNHEWWHGG-UHFFFAOYSA-N 2 1 248.374 2.196 20 0 BEADMP CN(C[C@@H]1CC[NH2+]C1)c1cccc(C2CC2)[nH+]1 ZINC001166960177 966485833 /nfs/dbraw/zinc/48/58/33/966485833.db2.gz NCPDEHYYWAOGPM-LLVKDONJSA-N 2 1 231.343 2.005 20 0 BEADMP CC(C)[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000084126118 966926584 /nfs/dbraw/zinc/92/65/84/966926584.db2.gz XDVGEVPANYXWQM-KBPBESRZSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)C1CCCCC1 ZINC001204599174 967100573 /nfs/dbraw/zinc/10/05/73/967100573.db2.gz SKYDRQWRVCLEHH-LBPRGKRZSA-N 2 1 240.391 2.366 20 0 BEADMP C[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)C1CCCCC1 ZINC001204599174 967100578 /nfs/dbraw/zinc/10/05/78/967100578.db2.gz SKYDRQWRVCLEHH-LBPRGKRZSA-N 2 1 240.391 2.366 20 0 BEADMP CCCC[C@H](CC)C[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001204748750 967146254 /nfs/dbraw/zinc/14/62/54/967146254.db2.gz SYTXQQLRBHCOHR-KBPBESRZSA-N 2 1 242.407 2.252 20 0 BEADMP C[C@@]1([NH3+])CC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC001204789977 967169964 /nfs/dbraw/zinc/16/99/64/967169964.db2.gz FQKXKNKGKBLKIL-CQSZACIVSA-N 2 1 229.327 2.091 20 0 BEADMP C[C@@]1([NH3+])CC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC001204789977 967169971 /nfs/dbraw/zinc/16/99/71/967169971.db2.gz FQKXKNKGKBLKIL-CQSZACIVSA-N 2 1 229.327 2.091 20 0 BEADMP Cc1ccccc1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205064838 967317300 /nfs/dbraw/zinc/31/73/00/967317300.db2.gz XHHMAZYJCBPOCA-JSGCOSHPSA-N 2 1 218.344 2.307 20 0 BEADMP Cc1ccccc1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205064838 967317282 /nfs/dbraw/zinc/31/72/82/967317282.db2.gz XHHMAZYJCBPOCA-JSGCOSHPSA-N 2 1 218.344 2.307 20 0 BEADMP C[C@H]1CC[C@@H](CN)[N@H+]1Cc1cccc2cc[nH]c21 ZINC001205075728 967326844 /nfs/dbraw/zinc/32/68/44/967326844.db2.gz KWCCTVBFTRGSBV-FZMZJTMJSA-N 2 1 243.354 2.480 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccc2cc[nH]c21 ZINC001205075728 967326858 /nfs/dbraw/zinc/32/68/58/967326858.db2.gz KWCCTVBFTRGSBV-FZMZJTMJSA-N 2 1 243.354 2.480 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)ccc1F ZINC001205093860 967339562 /nfs/dbraw/zinc/33/95/62/967339562.db2.gz GUURFZQXXYBLRR-CYBMUJFWSA-N 2 1 236.334 2.447 20 0 BEADMP COC1CCC(C[N@H+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001205094593 967342141 /nfs/dbraw/zinc/34/21/41/967342141.db2.gz NDSOXTXOJHCDRO-ROKHWSDSSA-N 2 1 240.391 2.005 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3ncoc3c2)CC1 ZINC001205117772 967362533 /nfs/dbraw/zinc/36/25/33/967362533.db2.gz UVXCOCGRXCHBDG-LBPRGKRZSA-N 2 1 245.326 2.141 20 0 BEADMP Cc1cc(O)cc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205117948 967370479 /nfs/dbraw/zinc/37/04/79/967370479.db2.gz ZKZIMLVLYJDBFY-ZDUSSCGKSA-N 2 1 234.343 2.014 20 0 BEADMP Cc1cccc(F)c1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205146194 967386647 /nfs/dbraw/zinc/38/66/47/967386647.db2.gz SDXSBERVAIXASS-NWDGAFQWSA-N 2 1 236.334 2.161 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC001205177171 967412207 /nfs/dbraw/zinc/41/22/07/967412207.db2.gz BEWBNRIGGWSXKK-ZWNOBZJWSA-N 2 1 229.327 2.089 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc2[nH]ccc21 ZINC001205177171 967412209 /nfs/dbraw/zinc/41/22/09/967412209.db2.gz BEWBNRIGGWSXKK-ZWNOBZJWSA-N 2 1 229.327 2.089 20 0 BEADMP Cc1cncc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205265247 967459343 /nfs/dbraw/zinc/45/93/43/967459343.db2.gz OZNKPHUCMMRIEO-AWEZNQCLSA-N 2 1 233.359 2.093 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc(C)n1 ZINC001205280812 967470216 /nfs/dbraw/zinc/47/02/16/967470216.db2.gz JMRHZZTWMRNTPH-OAHLLOKOSA-N 2 1 247.386 2.402 20 0 BEADMP Cc1cnsc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205288353 967481943 /nfs/dbraw/zinc/48/19/43/967481943.db2.gz JIXOEHNATXLRPE-LBPRGKRZSA-N 2 1 239.388 2.155 20 0 BEADMP C[C@@]1([NH3+])CCC[N@@H+](CC2OC=CC2=S)CC1 ZINC001205288346 967485077 /nfs/dbraw/zinc/48/50/77/967485077.db2.gz JELXOUNTJHRTGI-GFCCVEGCSA-N 2 1 240.372 2.272 20 0 BEADMP CNc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC001205315396 967526591 /nfs/dbraw/zinc/52/65/91/967526591.db2.gz FXWHCPLFYRNEKU-OCCSQVGLSA-N 2 1 247.386 2.145 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[NH2+]CC[C@@H]1C ZINC001205324408 967543579 /nfs/dbraw/zinc/54/35/79/967543579.db2.gz AUXXCVVUVOMHPW-ZDUSSCGKSA-N 2 1 232.371 2.433 20 0 BEADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1cccc2c1CCC2 ZINC001205340611 967554384 /nfs/dbraw/zinc/55/43/84/967554384.db2.gz XKGVCHODMOKBQV-CYBMUJFWSA-N 2 1 244.382 2.359 20 0 BEADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1cccc2c1CCC2 ZINC001205340611 967554396 /nfs/dbraw/zinc/55/43/96/967554396.db2.gz XKGVCHODMOKBQV-CYBMUJFWSA-N 2 1 244.382 2.359 20 0 BEADMP [NH3+]C[C@]1(F)CCC[N@@H+](CCC(F)(F)F)CC1 ZINC001205539495 967679075 /nfs/dbraw/zinc/67/90/75/967679075.db2.gz ZQNPHXYEAQQDTP-VIFPVBQESA-N 2 1 242.260 2.092 20 0 BEADMP CS[C@H](C)CC[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205546025 967689713 /nfs/dbraw/zinc/68/97/13/967689713.db2.gz PDGGCIWHBLMORE-NEPJUHHUSA-N 2 1 248.411 2.281 20 0 BEADMP C[C@H]1CC[N@@H+](CC2CCCC2)CC[C@H]1C[NH3+] ZINC001205603035 967719014 /nfs/dbraw/zinc/71/90/14/967719014.db2.gz NDLGWDRBHQXXMY-JSGCOSHPSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@@H]1CC[N@@H+](CCC(F)(F)F)CC[C@H]1C[NH3+] ZINC001205601789 967719628 /nfs/dbraw/zinc/71/96/28/967719628.db2.gz GKLZGIBPLFDCLZ-ZJUUUORDSA-N 2 1 238.297 2.246 20 0 BEADMP CCc1ccc[nH+]c1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001162394554 967824973 /nfs/dbraw/zinc/82/49/73/967824973.db2.gz QTCLLUHKFLKHLR-NWDGAFQWSA-N 2 1 219.332 2.326 20 0 BEADMP C[C@H]1C[N@@H+](CC(C)(C)C)CCC[C@H]1C[NH3+] ZINC001205981142 967923464 /nfs/dbraw/zinc/92/34/64/967923464.db2.gz BXWMJAUPGZPUKG-RYUDHWBXSA-N 2 1 212.381 2.339 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205984004 967928505 /nfs/dbraw/zinc/92/85/05/967928505.db2.gz QUDZGQLMXXNTMC-STQMWFEESA-N 2 1 212.381 2.339 20 0 BEADMP C[C@@H]1C[N@@H+](CCC2CC2)CCC[C@H]1C[NH3+] ZINC001205984713 967934877 /nfs/dbraw/zinc/93/48/77/967934877.db2.gz UKSSZRWVMOJZEA-YPMHNXCESA-N 2 1 210.365 2.093 20 0 BEADMP C[C@H]1C[N@@H+](CCC(F)(F)F)CCC[C@@H]1C[NH3+] ZINC001205984635 967936046 /nfs/dbraw/zinc/93/60/46/967936046.db2.gz SQWMARVTWJOKTJ-VHSXEESVSA-N 2 1 238.297 2.246 20 0 BEADMP Cc1ccncc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206003455 967959689 /nfs/dbraw/zinc/95/96/89/967959689.db2.gz IFEYKAYUHQTXJB-KGLIPLIRSA-N 2 1 247.386 2.197 20 0 BEADMP C[C@H]1C[N@H+](CC2(F)CC[NH2+]CC2)CCC[C@@H]1C ZINC001206110295 968070743 /nfs/dbraw/zinc/07/07/43/968070743.db2.gz SPFRZHIIOFUONI-STQMWFEESA-N 2 1 242.382 2.446 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2F)CC[C@@H]1F ZINC001206157333 968099659 /nfs/dbraw/zinc/09/96/59/968099659.db2.gz XZFSYNQDJVFCBE-QWHCGFSZSA-N 2 1 240.297 2.087 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2F)CC[C@@H]1F ZINC001206157333 968099671 /nfs/dbraw/zinc/09/96/71/968099671.db2.gz XZFSYNQDJVFCBE-QWHCGFSZSA-N 2 1 240.297 2.087 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cs1 ZINC001206214216 968145675 /nfs/dbraw/zinc/14/56/75/968145675.db2.gz XWTCNWDLLMULDH-NEPJUHHUSA-N 2 1 242.363 2.318 20 0 BEADMP CCc1cccc(C[N@@H+]2CC[NH2+]C[C@@H](C)C2)c1 ZINC001206278132 968193416 /nfs/dbraw/zinc/19/34/16/968193416.db2.gz YYLPGSPLHGTCPY-CYBMUJFWSA-N 2 1 232.371 2.290 20 0 BEADMP CCc1cccc(C[N@H+]2CC[NH2+]C[C@@H](C)C2)c1 ZINC001206278132 968193422 /nfs/dbraw/zinc/19/34/22/968193422.db2.gz YYLPGSPLHGTCPY-CYBMUJFWSA-N 2 1 232.371 2.290 20 0 BEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc(O)c2)CC1 ZINC001206296070 968202272 /nfs/dbraw/zinc/20/22/72/968202272.db2.gz PEBBCXXCYARIPD-OAHLLOKOSA-N 2 1 248.370 2.343 20 0 BEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccns2)CC1 ZINC001206318564 968226898 /nfs/dbraw/zinc/22/68/98/968226898.db2.gz RHNZKOWRWNYXIZ-LBPRGKRZSA-N 2 1 239.388 2.094 20 0 BEADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cnsc2)C1 ZINC001206565010 968388340 /nfs/dbraw/zinc/38/83/40/968388340.db2.gz SIYCWCMRCSWACS-LBPRGKRZSA-N 2 1 239.388 2.094 20 0 BEADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cnsc2)C1 ZINC001206565010 968388347 /nfs/dbraw/zinc/38/83/47/968388347.db2.gz SIYCWCMRCSWACS-LBPRGKRZSA-N 2 1 239.388 2.094 20 0 BEADMP Cc1[nH+]cc(Nc2c[nH+]c(N(C)C)cc2C)n1C ZINC001206730230 968443601 /nfs/dbraw/zinc/44/36/01/968443601.db2.gz XKSCUFPQDGMPPA-UHFFFAOYSA-N 2 1 245.330 2.242 20 0 BEADMP Cc1cccnc1CCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000822112417 968509903 /nfs/dbraw/zinc/50/99/03/968509903.db2.gz UWCDPCIHNKSKKV-ZFWWWQNUSA-N 2 1 247.386 2.053 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000823764944 968558758 /nfs/dbraw/zinc/55/87/58/968558758.db2.gz PINHXZJIRRAWPS-SCRDCRAPSA-N 2 1 220.360 2.025 20 0 BEADMP C[N@H+]1CCC2(C1)CC[NH+](CCC1CC1)CC2 ZINC001276512872 968675957 /nfs/dbraw/zinc/67/59/57/968675957.db2.gz BRFLOSKLZGUKIC-UHFFFAOYSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](F)CC2)CC1 ZINC001207392364 968750008 /nfs/dbraw/zinc/75/00/08/968750008.db2.gz ZZXLLFLMQHBXAP-CYBMUJFWSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CC[C@](C)(F)[C@H](F)C2)CC1 ZINC001207395041 968750456 /nfs/dbraw/zinc/75/04/56/968750456.db2.gz OJXSXWNQMFYGCH-OLZOCXBDSA-N 2 1 246.345 2.100 20 0 BEADMP C[NH+]1CCC(CC[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC1 ZINC001207487308 968796281 /nfs/dbraw/zinc/79/62/81/968796281.db2.gz XIEPTVIBJICQPH-IHRRRGAJSA-N 2 1 240.366 2.151 20 0 BEADMP C[N@@H+](CCC1CC[NH+](C)CC1)CC1CC1 ZINC001207480168 968797257 /nfs/dbraw/zinc/79/72/57/968797257.db2.gz VSKAARGSXXZLFD-UHFFFAOYSA-N 2 1 210.365 2.060 20 0 BEADMP C[NH+]1CCC(CC[N@@H+]2Cc3cccnc3C2)CC1 ZINC001207480177 968799604 /nfs/dbraw/zinc/79/96/04/968799604.db2.gz WAVHLTPRYADGQD-UHFFFAOYSA-N 2 1 245.370 2.129 20 0 BEADMP C[NH+]1CCC(CC[N@H+]2Cc3cccnc3C2)CC1 ZINC001207480177 968799609 /nfs/dbraw/zinc/79/96/09/968799609.db2.gz WAVHLTPRYADGQD-UHFFFAOYSA-N 2 1 245.370 2.129 20 0 BEADMP CC(C)[C@@H]1CCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000829274391 968824575 /nfs/dbraw/zinc/82/45/75/968824575.db2.gz DCHQHNYNBPYUFW-KGLIPLIRSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208108634 969002320 /nfs/dbraw/zinc/00/23/20/969002320.db2.gz XBTGEINTBIDWJU-GFCCVEGCSA-N 2 1 210.365 2.060 20 0 BEADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H](CF)C2)CC1 ZINC001208113283 969010337 /nfs/dbraw/zinc/01/03/37/969010337.db2.gz GTTURVJKFGCBMR-CYBMUJFWSA-N 2 1 242.382 2.400 20 0 BEADMP CS[C@@H](C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001208137482 969049483 /nfs/dbraw/zinc/04/94/83/969049483.db2.gz IXMRPKOOJIYYTN-NSHDSACASA-N 2 1 230.421 2.154 20 0 BEADMP CS[C@@H](C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001208137482 969049493 /nfs/dbraw/zinc/04/94/93/969049493.db2.gz IXMRPKOOJIYYTN-NSHDSACASA-N 2 1 230.421 2.154 20 0 BEADMP C[NH+]1CCc2cc(C3=CCC[N@H+](C)C3)ccc2C1 ZINC001241571421 969067270 /nfs/dbraw/zinc/06/72/70/969067270.db2.gz ZAXKZYUVVZFYSD-UHFFFAOYSA-N 2 1 242.366 2.393 20 0 BEADMP C[NH+]1CCC=C(c2ccc3c(c2)CC[N@@H+](C)C3)C1 ZINC001241571421 969067275 /nfs/dbraw/zinc/06/72/75/969067275.db2.gz ZAXKZYUVVZFYSD-UHFFFAOYSA-N 2 1 242.366 2.393 20 0 BEADMP C[NH+]1CCC=C(c2ccc3c(c2)CC[N@H+](C)C3)C1 ZINC001241571421 969067285 /nfs/dbraw/zinc/06/72/85/969067285.db2.gz ZAXKZYUVVZFYSD-UHFFFAOYSA-N 2 1 242.366 2.393 20 0 BEADMP CS[C@@H](C)CC[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001208156704 969086000 /nfs/dbraw/zinc/08/60/00/969086000.db2.gz YBFWXPVZJIXRLM-YNEHKIRRSA-N 2 1 242.432 2.012 20 0 BEADMP CCC[N@@H+](C[C@@H](O)C[NH+](CC)CC)[C@H](C)CC ZINC001253175085 969097160 /nfs/dbraw/zinc/09/71/60/969097160.db2.gz FERCHLBUGUVPAO-KGLIPLIRSA-N 2 1 244.423 2.200 20 0 BEADMP CC[NH+]1CCC(C[N@@H+]2Cc3cccnc3C2)CC1 ZINC001208593255 969152101 /nfs/dbraw/zinc/15/21/01/969152101.db2.gz FLUVVQPHWWZUCA-UHFFFAOYSA-N 2 1 245.370 2.129 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2Cc3cccnc3C2)CC1 ZINC001208593255 969152106 /nfs/dbraw/zinc/15/21/06/969152106.db2.gz FLUVVQPHWWZUCA-UHFFFAOYSA-N 2 1 245.370 2.129 20 0 BEADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC(F)(F)CC2)C1 ZINC001208605086 969157007 /nfs/dbraw/zinc/15/70/07/969157007.db2.gz YLHYKKULDVQTDX-LLVKDONJSA-N 2 1 232.318 2.059 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)(F)CC2)C1 ZINC001208605096 969158139 /nfs/dbraw/zinc/15/81/39/969158139.db2.gz YRSCQXHYKFHJAL-GFCCVEGCSA-N 2 1 228.355 2.152 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@H]3CCC[C@H]3C2)C1 ZINC001208605182 969158579 /nfs/dbraw/zinc/15/85/79/969158579.db2.gz AJMCXDZMFNZIRN-ZNMIVQPWSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@H]3CCC[C@H]3C2)C1 ZINC001208605182 969158587 /nfs/dbraw/zinc/15/85/87/969158587.db2.gz AJMCXDZMFNZIRN-ZNMIVQPWSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@H]3CCC[C@H]3C2)C1 ZINC001208605182 969158596 /nfs/dbraw/zinc/15/85/96/969158596.db2.gz AJMCXDZMFNZIRN-ZNMIVQPWSA-N 2 1 236.403 2.450 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CC3CCC(CC3)C2)C1 ZINC001208615553 969169383 /nfs/dbraw/zinc/16/93/83/969169383.db2.gz HXSDZIQULRLTQS-NRXISQOPSA-N 2 1 236.403 2.450 20 0 BEADMP CC[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208615755 969172719 /nfs/dbraw/zinc/17/27/19/969172719.db2.gz XYHYPWGVYYJECH-CHWSQXEVSA-N 2 1 210.365 2.060 20 0 BEADMP CC[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208615755 969172724 /nfs/dbraw/zinc/17/27/24/969172724.db2.gz XYHYPWGVYYJECH-CHWSQXEVSA-N 2 1 210.365 2.060 20 0 BEADMP CC[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208615755 969172729 /nfs/dbraw/zinc/17/27/29/969172729.db2.gz XYHYPWGVYYJECH-CHWSQXEVSA-N 2 1 210.365 2.060 20 0 BEADMP CCC[NH+]1CCC([NH2+]CC2(F)CCC2)CC1 ZINC000390509594 969206802 /nfs/dbraw/zinc/20/68/02/969206802.db2.gz YXJUQWXVRXCQIK-UHFFFAOYSA-N 2 1 228.355 2.343 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccoc2)CCC[C@H]1C[NH3+] ZINC001205996334 969304973 /nfs/dbraw/zinc/30/49/73/969304973.db2.gz WGQIDGOMUCXZBF-YPMHNXCESA-N 2 1 222.332 2.086 20 0 BEADMP C1=CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208945405 969313201 /nfs/dbraw/zinc/31/32/01/969313201.db2.gz BVWWZXJHWBLTGB-INIZCTEOSA-N 2 1 242.366 2.380 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(C)CC1)C2 ZINC001169082489 969402647 /nfs/dbraw/zinc/40/26/47/969402647.db2.gz ZWCNCHRPBRGSIY-CNDDSTCGSA-N 2 1 208.349 2.001 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC(C)(C)C)C2 ZINC001169081734 969405380 /nfs/dbraw/zinc/40/53/80/969405380.db2.gz VNILNLNNHYLYEX-ZSBIGDGJSA-N 2 1 210.365 2.247 20 0 BEADMP Cc1ccncc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169091453 969410377 /nfs/dbraw/zinc/41/03/77/969410377.db2.gz RLRUHEIVGGJSGG-QKDCVEJESA-N 2 1 245.370 2.105 20 0 BEADMP Cc1ccncc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169091453 969410381 /nfs/dbraw/zinc/41/03/81/969410381.db2.gz RLRUHEIVGGJSGG-QKDCVEJESA-N 2 1 245.370 2.105 20 0 BEADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCC1 ZINC001169118769 969412469 /nfs/dbraw/zinc/41/24/69/969412469.db2.gz NFYCYGBPVWDOJO-RUZUBIRVSA-N 2 1 222.376 2.390 20 0 BEADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCC1 ZINC001169118767 969412670 /nfs/dbraw/zinc/41/26/70/969412670.db2.gz NFYCYGBPVWDOJO-DEQVHRJGSA-N 2 1 222.376 2.390 20 0 BEADMP C[C@H]1C[C@@H](CF)[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169126118 969425953 /nfs/dbraw/zinc/42/59/53/969425953.db2.gz PVGIPDVGGSAIIV-QNSTZXKLSA-N 2 1 240.366 2.292 20 0 BEADMP C[C@H]1C[C@@H](CF)[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169126118 969425959 /nfs/dbraw/zinc/42/59/59/969425959.db2.gz PVGIPDVGGSAIIV-QNSTZXKLSA-N 2 1 240.366 2.292 20 0 BEADMP C[C@H]1C[C@@H](CF)[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169126118 969425961 /nfs/dbraw/zinc/42/59/61/969425961.db2.gz PVGIPDVGGSAIIV-QNSTZXKLSA-N 2 1 240.366 2.292 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C)(F)CC1)C2 ZINC001169125408 969427939 /nfs/dbraw/zinc/42/79/39/969427939.db2.gz HTYXSBGUUCWABF-ITGUQSILSA-N 2 1 240.366 2.436 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC3CCC1CC3)C2 ZINC001169142636 969457355 /nfs/dbraw/zinc/45/73/55/969457355.db2.gz DYSMVBOPNLXHGR-QSCRHYGLSA-N 2 1 234.387 2.486 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3C[C@H]1C[C@H]3F)C2 ZINC001169140902 969458300 /nfs/dbraw/zinc/45/83/00/969458300.db2.gz VKBKDWHNFCUOEH-BSCCGWMCSA-N 2 1 238.350 2.044 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@@H]3C[C@H]1C[C@H]3F)C2 ZINC001169140902 969458309 /nfs/dbraw/zinc/45/83/09/969458309.db2.gz VKBKDWHNFCUOEH-BSCCGWMCSA-N 2 1 238.350 2.044 20 0 BEADMP C[N@@H+](CCC1CC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155661 969474374 /nfs/dbraw/zinc/47/43/74/969474374.db2.gz ULRCHSPHQABJBW-WDNDVIMCSA-N 2 1 222.376 2.344 20 0 BEADMP C[NH+](CCC1CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169155661 969474377 /nfs/dbraw/zinc/47/43/77/969474377.db2.gz ULRCHSPHQABJBW-WDNDVIMCSA-N 2 1 222.376 2.344 20 0 BEADMP C[NH+](CCC1CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169155661 969474379 /nfs/dbraw/zinc/47/43/79/969474379.db2.gz ULRCHSPHQABJBW-WDNDVIMCSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@@H]1C[C@H]1C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001209412983 969475547 /nfs/dbraw/zinc/47/55/47/969475547.db2.gz JQGOAEPMFWLJIE-OCCSQVGLSA-N 2 1 234.387 2.060 20 0 BEADMP C[C@@H]1C[C@H]1C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001209412983 969475557 /nfs/dbraw/zinc/47/55/57/969475557.db2.gz JQGOAEPMFWLJIE-OCCSQVGLSA-N 2 1 234.387 2.060 20 0 BEADMP CC[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169161718 969480367 /nfs/dbraw/zinc/48/03/67/969480367.db2.gz PTBWHWPANJIJFU-YIYPIFLZSA-N 2 1 222.376 2.344 20 0 BEADMP CC[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169161718 969480371 /nfs/dbraw/zinc/48/03/71/969480371.db2.gz PTBWHWPANJIJFU-YIYPIFLZSA-N 2 1 222.376 2.344 20 0 BEADMP CC[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169161718 969480377 /nfs/dbraw/zinc/48/03/77/969480377.db2.gz PTBWHWPANJIJFU-YIYPIFLZSA-N 2 1 222.376 2.344 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N)cc2)CC1 ZINC001169230159 969500951 /nfs/dbraw/zinc/50/09/51/969500951.db2.gz UKVHUPMPBSGNAL-LBPRGKRZSA-N 2 1 247.386 2.404 20 0 BEADMP CC[NH+]1CCC([N@@H+]2CCCC23CC3)CC1 ZINC001169244214 969528236 /nfs/dbraw/zinc/52/82/36/969528236.db2.gz IHSVWYHDNIYYDM-UHFFFAOYSA-N 2 1 208.349 2.099 20 0 BEADMP CC[NH+]1CCC([N@H+]2CCCC23CC3)CC1 ZINC001169244214 969528240 /nfs/dbraw/zinc/52/82/40/969528240.db2.gz IHSVWYHDNIYYDM-UHFFFAOYSA-N 2 1 208.349 2.099 20 0 BEADMP Nc1cc[nH+]cc1C[NH+]1CCC2(CCC2)CC1 ZINC001209728464 969578168 /nfs/dbraw/zinc/57/81/68/969578168.db2.gz FKFSVSNMYQTULR-UHFFFAOYSA-N 2 1 231.343 2.260 20 0 BEADMP CCCCC[N@H+](C)Cc1c[nH+]ccc1N ZINC001209728348 969581024 /nfs/dbraw/zinc/58/10/24/969581024.db2.gz SBVXHDATHVPUEW-UHFFFAOYSA-N 2 1 207.321 2.116 20 0 BEADMP CCCCC[N@@H+](C)Cc1c[nH+]ccc1N ZINC001209728348 969581032 /nfs/dbraw/zinc/58/10/32/969581032.db2.gz SBVXHDATHVPUEW-UHFFFAOYSA-N 2 1 207.321 2.116 20 0 BEADMP Nc1cc[nH+]cc1C[N@@H+]1CCCCC12CC2 ZINC001209737618 969600383 /nfs/dbraw/zinc/60/03/83/969600383.db2.gz QGQLKPHIABKYLT-UHFFFAOYSA-N 2 1 217.316 2.013 20 0 BEADMP Nc1cc[nH+]cc1C[N@H+]1CCCCC12CC2 ZINC001209737618 969600387 /nfs/dbraw/zinc/60/03/87/969600387.db2.gz QGQLKPHIABKYLT-UHFFFAOYSA-N 2 1 217.316 2.013 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@H]2F)CC1 ZINC001254497032 969663551 /nfs/dbraw/zinc/66/35/51/969663551.db2.gz FGIFIPQXYSVTRR-RWMBFGLXSA-N 2 1 228.355 2.199 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+]CCc2ccccc2O)CC1 ZINC001254506020 969670534 /nfs/dbraw/zinc/67/05/34/969670534.db2.gz NOMATPGOACHDRN-AWEZNQCLSA-N 2 1 248.370 2.009 20 0 BEADMP C[N@@H+]1CCC[C@H]([NH2+]C2(c3ccncc3)CC2)CC1 ZINC001254504810 969674718 /nfs/dbraw/zinc/67/47/18/969674718.db2.gz WNTRYTCUFBDALY-AWEZNQCLSA-N 2 1 245.370 2.145 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+]C2(c3ccncc3)CC2)CC1 ZINC001254504810 969674725 /nfs/dbraw/zinc/67/47/25/969674725.db2.gz WNTRYTCUFBDALY-AWEZNQCLSA-N 2 1 245.370 2.145 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ncccc32)CC1 ZINC001254506942 969675534 /nfs/dbraw/zinc/67/55/34/969675534.db2.gz DDUCEFOKQIXHGV-DOMZBBRYSA-N 2 1 245.370 2.143 20 0 BEADMP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccc(N)cc1 ZINC001254506813 969675805 /nfs/dbraw/zinc/67/58/05/969675805.db2.gz ATXGNMISESYXHR-WFASDCNBSA-N 2 1 247.386 2.404 20 0 BEADMP C[N@@H+]1CCC[C@H]([NH2+]C2(c3cccnc3)CC2)CC1 ZINC001254507526 969679125 /nfs/dbraw/zinc/67/91/25/969679125.db2.gz MCHDQPDUJRVRKY-AWEZNQCLSA-N 2 1 245.370 2.145 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+]C2(c3cccnc3)CC2)CC1 ZINC001254507526 969679133 /nfs/dbraw/zinc/67/91/33/969679133.db2.gz MCHDQPDUJRVRKY-AWEZNQCLSA-N 2 1 245.370 2.145 20 0 BEADMP C[N@H+]1CCC[C@@H](Nc2cccc(CC[NH3+])c2)CC1 ZINC001254507859 969680549 /nfs/dbraw/zinc/68/05/49/969680549.db2.gz GGAFDYPJQXYHLZ-CQSZACIVSA-N 2 1 247.386 2.084 20 0 BEADMP C[N@H+]1CCC[C@H](Nc2cccc(CC[NH3+])c2)CC1 ZINC001254507856 969682878 /nfs/dbraw/zinc/68/28/78/969682878.db2.gz GGAFDYPJQXYHLZ-AWEZNQCLSA-N 2 1 247.386 2.084 20 0 BEADMP C[C@@H]1C[N@H+]([C@H]2CCC[NH+](C)CC2)CCC1(F)F ZINC001254516812 969686545 /nfs/dbraw/zinc/68/65/45/969686545.db2.gz QAYPYOGYXZBCRG-NEPJUHHUSA-N 2 1 246.345 2.448 20 0 BEADMP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](C)CC2)CCC1(F)F ZINC001254516812 969686552 /nfs/dbraw/zinc/68/65/52/969686552.db2.gz QAYPYOGYXZBCRG-NEPJUHHUSA-N 2 1 246.345 2.448 20 0 BEADMP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](C)CC2)CCC1(F)F ZINC001254516812 969686555 /nfs/dbraw/zinc/68/65/55/969686555.db2.gz QAYPYOGYXZBCRG-NEPJUHHUSA-N 2 1 246.345 2.448 20 0 BEADMP CC[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254516167 969689910 /nfs/dbraw/zinc/68/99/10/969689910.db2.gz JPIHVVOBUSPTBR-OAHLLOKOSA-N 2 1 247.386 2.388 20 0 BEADMP CC[NH+](Cc1ccncc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254516167 969689919 /nfs/dbraw/zinc/68/99/19/969689919.db2.gz JPIHVVOBUSPTBR-OAHLLOKOSA-N 2 1 247.386 2.388 20 0 BEADMP CC[NH+](Cc1ccncc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254516167 969689924 /nfs/dbraw/zinc/68/99/24/969689924.db2.gz JPIHVVOBUSPTBR-OAHLLOKOSA-N 2 1 247.386 2.388 20 0 BEADMP CC[NH+](Cc1cccnc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254523618 969708165 /nfs/dbraw/zinc/70/81/65/969708165.db2.gz QFPHYTYMIDXPRC-OAHLLOKOSA-N 2 1 247.386 2.388 20 0 BEADMP CC[N@H+](Cc1cccnc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254523618 969708148 /nfs/dbraw/zinc/70/81/48/969708148.db2.gz QFPHYTYMIDXPRC-OAHLLOKOSA-N 2 1 247.386 2.388 20 0 BEADMP CC[N@@H+](Cc1cccnc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254523618 969708156 /nfs/dbraw/zinc/70/81/56/969708156.db2.gz QFPHYTYMIDXPRC-OAHLLOKOSA-N 2 1 247.386 2.388 20 0 BEADMP CC[NH+](Cc1cccnc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254523618 969708171 /nfs/dbraw/zinc/70/81/71/969708171.db2.gz QFPHYTYMIDXPRC-OAHLLOKOSA-N 2 1 247.386 2.388 20 0 BEADMP CC(C)[N@@H+]([C@H]1CCSC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255274232 970027201 /nfs/dbraw/zinc/02/72/01/970027201.db2.gz ALKXFLSRCZGYTG-AVGNSLFASA-N 2 1 242.432 2.472 20 0 BEADMP CCCC[C@@H](C)n1c(C)c[nH+]c1CC[NH3+] ZINC001255311467 970075789 /nfs/dbraw/zinc/07/57/89/970075789.db2.gz BZZKLZFGDBHWNU-SNVBAGLBSA-N 2 1 209.337 2.444 20 0 BEADMP CCCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001255331037 970112453 /nfs/dbraw/zinc/11/24/53/970112453.db2.gz YNGPIUMBFVJHOM-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP CCCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001255331037 970112458 /nfs/dbraw/zinc/11/24/58/970112458.db2.gz YNGPIUMBFVJHOM-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP CCCC[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001255331037 970112463 /nfs/dbraw/zinc/11/24/63/970112463.db2.gz YNGPIUMBFVJHOM-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP C[N@H+]1CC[C@@H](n2cc(CC[NH3+])c3ccccc32)C1 ZINC001255412190 970130510 /nfs/dbraw/zinc/13/05/10/970130510.db2.gz GKNULJKXHHANQI-CYBMUJFWSA-N 2 1 243.354 2.019 20 0 BEADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CC[C@@H](C)C1 ZINC001170098446 970275923 /nfs/dbraw/zinc/27/59/23/970275923.db2.gz RVPNLULJLGRCLN-MWLCHTKSSA-N 2 1 207.321 2.054 20 0 BEADMP COC[C@@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255561144 970343965 /nfs/dbraw/zinc/34/39/65/970343965.db2.gz DMCIYYXJBQMMNL-MRVWCRGKSA-N 2 1 240.391 2.003 20 0 BEADMP C[C@H]1CC[C@H](n2cc[nH+]c2CCC[NH3+])C1 ZINC001170124669 970363368 /nfs/dbraw/zinc/36/33/68/970363368.db2.gz HBFOPXJUZMILIC-QWRGUYRKSA-N 2 1 207.321 2.136 20 0 BEADMP CC(C)[N@@H+](CCC[NH3+])[C@H](C)CC(F)(F)F ZINC001255633573 970407685 /nfs/dbraw/zinc/40/76/85/970407685.db2.gz LWYGRZFOHLUIFX-SECBINFHSA-N 2 1 226.286 2.387 20 0 BEADMP CC(C)[N@@H+](CCC[NH3+])[C@@H](C)CC(F)(F)F ZINC001255633574 970408445 /nfs/dbraw/zinc/40/84/45/970408445.db2.gz LWYGRZFOHLUIFX-VIFPVBQESA-N 2 1 226.286 2.387 20 0 BEADMP C[C@H]1CC[C@@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001170134629 970409387 /nfs/dbraw/zinc/40/93/87/970409387.db2.gz CUMNUOVRIVWWJU-RFQIPJPRSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C1 ZINC001170134629 970409395 /nfs/dbraw/zinc/40/93/95/970409395.db2.gz CUMNUOVRIVWWJU-RFQIPJPRSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C1 ZINC001170134629 970409401 /nfs/dbraw/zinc/40/94/01/970409401.db2.gz CUMNUOVRIVWWJU-RFQIPJPRSA-N 2 1 222.376 2.059 20 0 BEADMP CC[C@@H]1C[C@@H]([N@@H+](CCC[NH3+])C(C)C)CCO1 ZINC001170171046 970540856 /nfs/dbraw/zinc/54/08/56/970540856.db2.gz OOUKXELEWBAUAR-QWHCGFSZSA-N 2 1 228.380 2.003 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000400113412 970553024 /nfs/dbraw/zinc/55/30/24/970553024.db2.gz LGGAQUFIKSPZQB-OOJKYFRXSA-N 2 1 236.403 2.354 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CC2CC(C2)C1 ZINC001255972096 970609831 /nfs/dbraw/zinc/60/98/31/970609831.db2.gz NCFPBQMWILWEJD-IYXRBSQSSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@]1(CF)CC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073569 970643469 /nfs/dbraw/zinc/64/34/69/970643469.db2.gz WPVAVQDLOMFGLI-AWEZNQCLSA-N 2 1 240.366 2.295 20 0 BEADMP C[C@@]1(CF)CC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073569 970643472 /nfs/dbraw/zinc/64/34/72/970643472.db2.gz WPVAVQDLOMFGLI-AWEZNQCLSA-N 2 1 240.366 2.295 20 0 BEADMP C[NH+]1CCC([N@@H+]2CCC[C@](C)(F)CC2)CC1 ZINC001256202796 970683814 /nfs/dbraw/zinc/68/38/14/970683814.db2.gz MDWQFXPCCCKXEN-ZDUSSCGKSA-N 2 1 228.355 2.295 20 0 BEADMP C[NH+]1CCC([N@H+]2CCC[C@](C)(F)CC2)CC1 ZINC001256202796 970683822 /nfs/dbraw/zinc/68/38/22/970683822.db2.gz MDWQFXPCCCKXEN-ZDUSSCGKSA-N 2 1 228.355 2.295 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(N)cc1 ZINC001256197563 970689941 /nfs/dbraw/zinc/68/99/41/970689941.db2.gz KWZSMRGJKBVJDM-LLVKDONJSA-N 2 1 233.359 2.014 20 0 BEADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccnc1 ZINC001256196681 970691255 /nfs/dbraw/zinc/69/12/55/970691255.db2.gz USOIZBGHVNAROS-AWEZNQCLSA-N 2 1 233.359 2.217 20 0 BEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(N)cc1 ZINC001256197565 970692078 /nfs/dbraw/zinc/69/20/78/970692078.db2.gz KWZSMRGJKBVJDM-NSHDSACASA-N 2 1 233.359 2.014 20 0 BEADMP C[C@@H]1CCCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001256202140 970695534 /nfs/dbraw/zinc/69/55/34/970695534.db2.gz ADBOJQWZAAYRHG-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1CCCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001256202140 970695540 /nfs/dbraw/zinc/69/55/40/970695540.db2.gz ADBOJQWZAAYRHG-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)CCC1(F)F ZINC001256202173 970697756 /nfs/dbraw/zinc/69/77/56/970697756.db2.gz ALDSBCUBFMNYFY-LLVKDONJSA-N 2 1 246.345 2.448 20 0 BEADMP C[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)CCC1(F)F ZINC001256202173 970697764 /nfs/dbraw/zinc/69/77/64/970697764.db2.gz ALDSBCUBFMNYFY-LLVKDONJSA-N 2 1 246.345 2.448 20 0 BEADMP CC(C)CC[C@H](C)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001256357581 970735789 /nfs/dbraw/zinc/73/57/89/970735789.db2.gz IBYATORXIZULOB-NEPJUHHUSA-N 2 1 200.370 2.338 20 0 BEADMP CCCCC[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246545979 972660572 /nfs/dbraw/zinc/66/05/72/972660572.db2.gz XUBJYZWDTIIYLM-KGLIPLIRSA-N 2 1 242.407 2.131 20 0 BEADMP CCOCC[C@H](C)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246548011 972674050 /nfs/dbraw/zinc/67/40/50/972674050.db2.gz DXPWUPNHGZJTIH-QWHCGFSZSA-N 2 1 228.380 2.005 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)C1 ZINC001246548260 972680717 /nfs/dbraw/zinc/68/07/17/972680717.db2.gz JVTMBMAWZAFVAJ-AGIUHOORSA-N 2 1 228.355 2.328 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)C[C@H](C)O1 ZINC001246550593 972706866 /nfs/dbraw/zinc/70/68/66/972706866.db2.gz JNKCTQURIROZRE-XJFOESAGSA-N 2 1 240.391 2.146 20 0 BEADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001327856896 972759454 /nfs/dbraw/zinc/75/94/54/972759454.db2.gz VNAMCQGJVMDLLZ-OLRMPSLUSA-N 2 1 234.318 2.003 20 0 BEADMP CCCCC[C@H](C)[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246557969 972780720 /nfs/dbraw/zinc/78/07/20/972780720.db2.gz JSJXMZXCRKBYJE-UONOGXRCSA-N 2 1 242.407 2.131 20 0 BEADMP C[C@H](CC1CC1)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246560400 972792216 /nfs/dbraw/zinc/79/22/16/972792216.db2.gz ULPMPFLRVLILIC-KOLCDFICSA-N 2 1 232.318 2.091 20 0 BEADMP Cc1cccc2c1C[N@H+](C1CC[NH2+]CC1)C2 ZINC001246570093 972837593 /nfs/dbraw/zinc/83/75/93/972837593.db2.gz ZBIPGMHLEFWQNI-UHFFFAOYSA-N 2 1 216.328 2.063 20 0 BEADMP CC[C@@H]1CC[C@H]([N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)C1 ZINC001246575158 972875674 /nfs/dbraw/zinc/87/56/74/972875674.db2.gz ZQUKMGZOXRBUPA-XQHKEYJVSA-N 2 1 228.355 2.326 20 0 BEADMP CC[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)C1 ZINC001246575158 972875676 /nfs/dbraw/zinc/87/56/76/972875676.db2.gz ZQUKMGZOXRBUPA-XQHKEYJVSA-N 2 1 228.355 2.326 20 0 BEADMP CC1(C)CC[C@H]([N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)C1 ZINC001246595961 973009225 /nfs/dbraw/zinc/00/92/25/973009225.db2.gz YEOJRLSYVYPSRK-SRVKXCTJSA-N 2 1 228.355 2.326 20 0 BEADMP CC1(C)CC[C@H]([N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)C1 ZINC001246595961 973009241 /nfs/dbraw/zinc/00/92/41/973009241.db2.gz YEOJRLSYVYPSRK-SRVKXCTJSA-N 2 1 228.355 2.326 20 0 BEADMP CC1(C)C[C@@H]([N@H+]2CCCC[C@@](C)(C[NH3+])C2)CO1 ZINC001246597877 973013632 /nfs/dbraw/zinc/01/36/32/973013632.db2.gz YODAFBONJYWHFO-OCCSQVGLSA-N 2 1 240.391 2.005 20 0 BEADMP C1[C@@H]2C[C@H]([N@H+]3CCC[C@]34CCC[NH2+]C4)C[C@H]12 ZINC001246605923 973025066 /nfs/dbraw/zinc/02/50/66/973025066.db2.gz CZAMZKQOJJLUEE-DGAVXFQQSA-N 2 1 220.360 2.003 20 0 BEADMP CCCC[C@@H](C)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246655149 973071680 /nfs/dbraw/zinc/07/16/80/973071680.db2.gz GJZJEZIUCIOBBU-UPJWGTAASA-N 2 1 210.365 2.249 20 0 BEADMP CCCCCC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246660522 973074325 /nfs/dbraw/zinc/07/43/25/973074325.db2.gz UWBIDIIGXDPMIA-NDBYEHHHSA-N 2 1 210.365 2.234 20 0 BEADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246665980 973079266 /nfs/dbraw/zinc/07/92/66/973079266.db2.gz VOMDTPRPHJXJAN-YHQUGGNUSA-N 2 1 224.392 2.480 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])C[C@H]1C ZINC001246841223 973136572 /nfs/dbraw/zinc/13/65/72/973136572.db2.gz NAUFFWJWDCPYLB-PMXAPFLYSA-N 2 1 236.403 2.480 20 0 BEADMP CC(C)CC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246843625 973139156 /nfs/dbraw/zinc/13/91/56/973139156.db2.gz VGIDRHXLOPFURM-FQUUOJAGSA-N 2 1 224.392 2.480 20 0 BEADMP CC[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)C1 ZINC001246869927 973241436 /nfs/dbraw/zinc/24/14/36/973241436.db2.gz XKPSIEJAOZTTIT-ZOBORPQBSA-N 2 1 222.376 2.249 20 0 BEADMP CC[C@H]1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)C1 ZINC001246869917 973246996 /nfs/dbraw/zinc/24/69/96/973246996.db2.gz XKPSIEJAOZTTIT-XUXIUFHCSA-N 2 1 222.376 2.249 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cncc(C)c1 ZINC001329024801 973435049 /nfs/dbraw/zinc/43/50/49/973435049.db2.gz VDJCYOWFDUBEBE-NWDGAFQWSA-N 2 1 221.348 2.039 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3C[NH2+]C[C@@H]32)CC(C)(C)C1 ZINC001246919627 973482988 /nfs/dbraw/zinc/48/29/88/973482988.db2.gz NPXLIWBUVIXESV-VOAKCMCISA-N 2 1 222.376 2.105 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+]CC2(C)CC(F)(F)C2)CC1 ZINC000720935287 973669127 /nfs/dbraw/zinc/66/91/27/973669127.db2.gz NDRYZTILOMKOJX-LLVKDONJSA-N 2 1 246.345 2.496 20 0 BEADMP CO[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000234915200 973785013 /nfs/dbraw/zinc/78/50/13/973785013.db2.gz DJTMFIULKBYUNY-HZSPNIEDSA-N 2 1 240.391 2.016 20 0 BEADMP CO[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000234915200 973785026 /nfs/dbraw/zinc/78/50/26/973785026.db2.gz DJTMFIULKBYUNY-HZSPNIEDSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@H](CC1CC1)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247014155 973797646 /nfs/dbraw/zinc/79/76/46/973797646.db2.gz JECWANFUBCDOPW-XBFCOCLRSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@H](CC1CC1)[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247014155 973797649 /nfs/dbraw/zinc/79/76/49/973797649.db2.gz JECWANFUBCDOPW-XBFCOCLRSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCC(F)(F)F)CC[NH2+]1 ZINC000235381333 973844299 /nfs/dbraw/zinc/84/42/99/973844299.db2.gz NJHQWIPDOWSIFV-ZJUUUORDSA-N 2 1 238.297 2.259 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+]CC1=Cc2ccccc2OC1 ZINC001329596427 973845473 /nfs/dbraw/zinc/84/54/73/973845473.db2.gz OCIABTQQRUQDRM-GFCCVEGCSA-N 2 1 246.354 2.050 20 0 BEADMP Fc1cc2[nH]c[nH+]c2cc1NC[C@@H]1CCCC[NH2+]1 ZINC001171335162 973868775 /nfs/dbraw/zinc/86/87/75/973868775.db2.gz NAPLUAYUXXCZRT-VIFPVBQESA-N 2 1 248.305 2.256 20 0 BEADMP CC[NH+](CC)C[C@@H](C)OC[C@H]1CCCC[N@H+]1C ZINC001224703955 973872114 /nfs/dbraw/zinc/87/21/14/973872114.db2.gz VYLOMZYUVHZGHO-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+](CC)CCO[C@H]1CCC[N@H+](C(C)C)C1 ZINC001224927157 974076829 /nfs/dbraw/zinc/07/68/29/974076829.db2.gz DSWHIGQMDRCKHP-AWEZNQCLSA-N 2 1 242.407 2.218 20 0 BEADMP Cc1ccc(CC[C@@H](C)[NH2+]C2(C[NH3+])CC2)cc1 ZINC001171666503 974130308 /nfs/dbraw/zinc/13/03/08/974130308.db2.gz YNZGINWXDQNRTQ-CYBMUJFWSA-N 2 1 232.371 2.397 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)C2 ZINC001172098507 974342136 /nfs/dbraw/zinc/34/21/36/974342136.db2.gz FMXHXHGBFRTMDP-ITGHMWBKSA-N 2 1 240.366 2.482 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)C2 ZINC001172098507 974342139 /nfs/dbraw/zinc/34/21/39/974342139.db2.gz FMXHXHGBFRTMDP-ITGHMWBKSA-N 2 1 240.366 2.482 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccncc1)C2 ZINC001172100333 974344987 /nfs/dbraw/zinc/34/49/87/974344987.db2.gz OXMBSJBPIAMXID-QDMKHBRRSA-N 2 1 245.370 2.187 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccco1)C2 ZINC001172100620 974345972 /nfs/dbraw/zinc/34/59/72/974345972.db2.gz QOEGRUAQDRDXQA-CLLJXQQHSA-N 2 1 234.343 2.385 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccco1)C2 ZINC001172100620 974345977 /nfs/dbraw/zinc/34/59/77/974345977.db2.gz QOEGRUAQDRDXQA-CLLJXQQHSA-N 2 1 234.343 2.385 20 0 BEADMP CC(C)OCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100100 974346617 /nfs/dbraw/zinc/34/66/17/974346617.db2.gz MVWMFCYCGMICQF-BTTYYORXSA-N 2 1 240.391 2.016 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1CF)C2 ZINC001172130193 974352050 /nfs/dbraw/zinc/35/20/50/974352050.db2.gz HQPRPJSYWLKMLY-RQJABVFESA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]1CF)C2 ZINC001172130193 974352061 /nfs/dbraw/zinc/35/20/61/974352061.db2.gz HQPRPJSYWLKMLY-RQJABVFESA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]1CF)C2 ZINC001172130193 974352073 /nfs/dbraw/zinc/35/20/73/974352073.db2.gz HQPRPJSYWLKMLY-RQJABVFESA-N 2 1 240.366 2.436 20 0 BEADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccno1 ZINC001172112904 974371100 /nfs/dbraw/zinc/37/11/00/974371100.db2.gz GSBFTRLSJOVJCQ-FVCCEPFGSA-N 2 1 249.358 2.341 20 0 BEADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccno1 ZINC001172112904 974371107 /nfs/dbraw/zinc/37/11/07/974371107.db2.gz GSBFTRLSJOVJCQ-FVCCEPFGSA-N 2 1 249.358 2.341 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH+](C)C)[C@@H]1CC1(F)F ZINC001330628002 974372956 /nfs/dbraw/zinc/37/29/56/974372956.db2.gz ZXBZOCNKOSMYJQ-NNYUYHANSA-N 2 1 246.345 2.493 20 0 BEADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccno1 ZINC001172112911 974375404 /nfs/dbraw/zinc/37/54/04/974375404.db2.gz GSBFTRLSJOVJCQ-RVMXOQNASA-N 2 1 249.358 2.341 20 0 BEADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccno1 ZINC001172112911 974375411 /nfs/dbraw/zinc/37/54/11/974375411.db2.gz GSBFTRLSJOVJCQ-RVMXOQNASA-N 2 1 249.358 2.341 20 0 BEADMP C[C@H]1CCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113183 974382246 /nfs/dbraw/zinc/38/22/46/974382246.db2.gz HHUOXMQZZGKFEF-IGQOVBAYSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@H]1CCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113183 974382255 /nfs/dbraw/zinc/38/22/55/974382255.db2.gz HHUOXMQZZGKFEF-IGQOVBAYSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@H]1CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113183 974382267 /nfs/dbraw/zinc/38/22/67/974382267.db2.gz HHUOXMQZZGKFEF-IGQOVBAYSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@H]1CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113183 974382281 /nfs/dbraw/zinc/38/22/81/974382281.db2.gz HHUOXMQZZGKFEF-IGQOVBAYSA-N 2 1 222.376 2.486 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC3CC(C3)C1)C2 ZINC001172122337 974382847 /nfs/dbraw/zinc/38/28/47/974382847.db2.gz ACPSJVOXFUABLX-QSCRHYGLSA-N 2 1 234.387 2.344 20 0 BEADMP CC(C)[NH+]1CC(Oc2ccc(C[NH+](C)C)cc2)C1 ZINC001225329529 974404788 /nfs/dbraw/zinc/40/47/88/974404788.db2.gz CNESPEVISQKJBQ-UHFFFAOYSA-N 2 1 248.370 2.220 20 0 BEADMP CCOCC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001172409667 974671775 /nfs/dbraw/zinc/67/17/75/974671775.db2.gz ATQKSWOAUZTXFK-YIYPIFLZSA-N 2 1 240.391 2.016 20 0 BEADMP CCOCC[C@H](C)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001172411169 974675195 /nfs/dbraw/zinc/67/51/95/974675195.db2.gz LOCAFIHTNUFEKL-HIFPTAJRSA-N 2 1 228.380 2.003 20 0 BEADMP Cc1c[nH+]c(CC[NH3+])n1[C@H](C)CCOC(C)C ZINC001172434773 974722772 /nfs/dbraw/zinc/72/27/72/974722772.db2.gz SVSVKPHBCQBGLJ-LLVKDONJSA-N 2 1 239.363 2.069 20 0 BEADMP CC[C@@H](CC(C)C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001172394489 974746538 /nfs/dbraw/zinc/74/65/38/974746538.db2.gz VKQXHTTWFXWJOA-RYUDHWBXSA-N 2 1 200.370 2.338 20 0 BEADMP CC(C)COCC[C@@H](C)[N@@H+](C)CCC[NH+](C)C ZINC001172468894 974766003 /nfs/dbraw/zinc/76/60/03/974766003.db2.gz PYSLZAURQXFZLC-CQSZACIVSA-N 2 1 244.423 2.321 20 0 BEADMP [NH3+][C@@H]1C[C@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC001172724131 974910364 /nfs/dbraw/zinc/91/03/64/974910364.db2.gz NSCBNBKXNVHJFO-VXGBXAGGSA-N 2 1 208.349 2.179 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CC23CCC3)CC1 ZINC000721159605 974929545 /nfs/dbraw/zinc/92/95/45/974929545.db2.gz CVSMYIDIYPVLJN-VXGBXAGGSA-N 2 1 208.349 2.003 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CC23CCC3)CC1 ZINC000721159601 974930866 /nfs/dbraw/zinc/93/08/66/974930866.db2.gz CVSMYIDIYPVLJN-NEPJUHHUSA-N 2 1 208.349 2.003 20 0 BEADMP CC[C@H]1CC[C@H]([N@@H+](C)CCC[NH+](C)C)C1 ZINC001173275532 975086253 /nfs/dbraw/zinc/08/62/53/975086253.db2.gz VUDICFJFSNUHIK-STQMWFEESA-N 2 1 212.381 2.449 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CC23CCC3)CC1 ZINC000721162532 975048634 /nfs/dbraw/zinc/04/86/34/975048634.db2.gz QCLWCNRGRNYPOQ-LBPRGKRZSA-N 2 1 208.349 2.003 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001332419601 975105552 /nfs/dbraw/zinc/10/55/52/975105552.db2.gz DVDCVVIPSDDCTB-MJDLHHQISA-N 2 1 244.329 2.150 20 0 BEADMP CC[C@H]1CC[C@@H](n2c[nH+]cc2CC[NH3+])C1 ZINC001173260448 975108986 /nfs/dbraw/zinc/10/89/86/975108986.db2.gz MRHMJWBNNWIJFE-WDEREUQCSA-N 2 1 207.321 2.136 20 0 BEADMP c1[nH]c2ccc(NCC[C@H]3CCC[NH2+]3)cc2[nH+]1 ZINC000258942751 975279034 /nfs/dbraw/zinc/27/90/34/975279034.db2.gz HZWUJBZCNCFKHF-SNVBAGLBSA-N 2 1 230.315 2.117 20 0 BEADMP CC[N@H+]1CC[C@H](n2c(C[NH3+])cc3ccccc32)C1 ZINC001173349900 975293260 /nfs/dbraw/zinc/29/32/60/975293260.db2.gz KTBXBKHKIRAYHO-ZDUSSCGKSA-N 2 1 243.354 2.367 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CC(C)(C)C2(C)C)CC1 ZINC001334142712 976330071 /nfs/dbraw/zinc/33/00/71/976330071.db2.gz ZQQIOJBIMCUYKM-UHFFFAOYSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH2+][C@H](C)CCN[C@H](CCC[NH3+])c1ccccc1 ZINC001334389962 976488220 /nfs/dbraw/zinc/48/82/20/976488220.db2.gz KQKVXBOURRWFEG-UKRRQHHQSA-N 2 1 249.402 2.054 20 0 BEADMP C[C@@H](C[NH+](C)C)Oc1ccc2c(c1)CC[N@H+](C)C2 ZINC001228936126 976591262 /nfs/dbraw/zinc/59/12/62/976591262.db2.gz BXNZKJMMKWLUTO-LBPRGKRZSA-N 2 1 248.370 2.003 20 0 BEADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CC3(C)CC3)C[C@@H]2C1 ZINC001335133587 976859906 /nfs/dbraw/zinc/85/99/06/976859906.db2.gz JLWNSWFLYXVDNE-MELADBBJSA-N 2 1 236.403 2.449 20 0 BEADMP Cc1cn2cc(NC3=CCC[N@@H+](C)C3)ccc2[nH+]1 ZINC001175575974 977581254 /nfs/dbraw/zinc/58/12/54/977581254.db2.gz AJILPQVTEJEYBP-UHFFFAOYSA-N 2 1 242.326 2.274 20 0 BEADMP Cc1cn2cc(NC3=CCC[N@H+](C)C3)ccc2[nH+]1 ZINC001175575974 977581264 /nfs/dbraw/zinc/58/12/64/977581264.db2.gz AJILPQVTEJEYBP-UHFFFAOYSA-N 2 1 242.326 2.274 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC001574270387 1170025222 /nfs/dbraw/zinc/02/52/22/1170025222.db2.gz FFLRDHMLZWWJSS-CYBMUJFWSA-N 2 1 244.382 2.072 20 0 BEADMP CCO[C@@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232017806 977843964 /nfs/dbraw/zinc/84/39/64/977843964.db2.gz YPERNFLSIIZCKV-CYBMUJFWSA-N 2 1 245.326 2.174 20 0 BEADMP Cc1cn2cc(Nc3[nH]cc[nH+]3)ccc2[nH+]1 ZINC001176082156 977880049 /nfs/dbraw/zinc/88/00/49/977880049.db2.gz WRQQERGYMGYNSK-UHFFFAOYSA-N 2 1 213.244 2.109 20 0 BEADMP C[N@@H+]1CCCC2(CC[NH+](CC(F)F)CC2)C1 ZINC001277645516 978001314 /nfs/dbraw/zinc/00/13/14/978001314.db2.gz WEOVUMDHWPWRLF-UHFFFAOYSA-N 2 1 232.318 2.059 20 0 BEADMP C[N@H+]1CCCC2(CC[NH+](CC(F)F)CC2)C1 ZINC001277645516 978001330 /nfs/dbraw/zinc/00/13/30/978001330.db2.gz WEOVUMDHWPWRLF-UHFFFAOYSA-N 2 1 232.318 2.059 20 0 BEADMP Cc1cccnc1N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001277708328 978261059 /nfs/dbraw/zinc/26/10/59/978261059.db2.gz SOBZVVDMCIRUJF-OAHLLOKOSA-N 2 1 245.370 2.312 20 0 BEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccnc2)CC1 ZINC001206293310 978291362 /nfs/dbraw/zinc/29/13/62/978291362.db2.gz HGNLYXKOIVIBGJ-CQSZACIVSA-N 2 1 233.359 2.033 20 0 BEADMP CCOC(C)(C)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206295677 978300498 /nfs/dbraw/zinc/30/04/98/978300498.db2.gz MWLGOGAIRKNMMA-AWEZNQCLSA-N 2 1 242.407 2.252 20 0 BEADMP Cc1ccnc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)c1 ZINC001337432176 978335562 /nfs/dbraw/zinc/33/55/62/978335562.db2.gz QNETWCAWPSZYDO-FRRDWIJNSA-N 2 1 231.343 2.142 20 0 BEADMP Cc1cc[nH+]c(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c1 ZINC001337432176 978335571 /nfs/dbraw/zinc/33/55/71/978335571.db2.gz QNETWCAWPSZYDO-FRRDWIJNSA-N 2 1 231.343 2.142 20 0 BEADMP Cc1cc[nH+]c(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)c1 ZINC001337432176 978335581 /nfs/dbraw/zinc/33/55/81/978335581.db2.gz QNETWCAWPSZYDO-FRRDWIJNSA-N 2 1 231.343 2.142 20 0 BEADMP CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000070643335 978861564 /nfs/dbraw/zinc/86/15/64/978861564.db2.gz DBURVKNRIMMDND-AGIUHOORSA-N 2 1 210.365 2.106 20 0 BEADMP CCSCC[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001277914123 978945257 /nfs/dbraw/zinc/94/52/57/978945257.db2.gz QGDFUKHBTASPOA-UHFFFAOYSA-N 2 1 242.432 2.157 20 0 BEADMP CC1(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)CCCCC1 ZINC001235007814 978949804 /nfs/dbraw/zinc/94/98/04/978949804.db2.gz ROBOZTOZFXBEJB-QWHCGFSZSA-N 2 1 222.376 2.251 20 0 BEADMP CC1(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)CCCCC1 ZINC001235007814 978949808 /nfs/dbraw/zinc/94/98/08/978949808.db2.gz ROBOZTOZFXBEJB-QWHCGFSZSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H]([NH3+])C[NH+]1CCC2(CCc3ccccc32)CC1 ZINC001235154829 978983167 /nfs/dbraw/zinc/98/31/67/978983167.db2.gz WJJTVWZTFBFGAZ-CYBMUJFWSA-N 2 1 244.382 2.314 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c1C ZINC001235166317 978986764 /nfs/dbraw/zinc/98/67/64/978986764.db2.gz QVVOIAZVEHINNK-LSDHHAIUSA-N 2 1 230.355 2.227 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c1C ZINC001235166317 978986768 /nfs/dbraw/zinc/98/67/68/978986768.db2.gz QVVOIAZVEHINNK-LSDHHAIUSA-N 2 1 230.355 2.227 20 0 BEADMP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1cccc3[nH]ccc31)C2 ZINC001235167218 978988494 /nfs/dbraw/zinc/98/84/94/978988494.db2.gz YGBYUXDJPJNBBM-SWLSCSKDSA-N 2 1 241.338 2.091 20 0 BEADMP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1cccc3[nH]ccc31)C2 ZINC001235167218 978988504 /nfs/dbraw/zinc/98/85/04/978988504.db2.gz YGBYUXDJPJNBBM-SWLSCSKDSA-N 2 1 241.338 2.091 20 0 BEADMP c1cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)no1 ZINC001235227185 978998032 /nfs/dbraw/zinc/99/80/32/978998032.db2.gz DIMJSAMGRCKQEQ-AWEZNQCLSA-N 2 1 249.358 2.029 20 0 BEADMP CC(C)Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC001235210058 978998650 /nfs/dbraw/zinc/99/86/50/978998650.db2.gz JQSNJBVCVXBRMA-ZSHCYNCHSA-N 2 1 244.382 2.274 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2C[C@H]3C[NH2+]CC[C@H]32)cc1C ZINC001235255985 979010763 /nfs/dbraw/zinc/01/07/63/979010763.db2.gz DXJRUWSRRVHUFF-HZPDHXFCSA-N 2 1 244.382 2.406 20 0 BEADMP Cc1cc(C)c(C[N@H+]2C[C@H]3C[NH2+]CC[C@H]32)cc1C ZINC001235255985 979010770 /nfs/dbraw/zinc/01/07/70/979010770.db2.gz DXJRUWSRRVHUFF-HZPDHXFCSA-N 2 1 244.382 2.406 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2C[C@H]3C[NH2+]CC[C@H]32)c(C)c1 ZINC001235261762 979015213 /nfs/dbraw/zinc/01/52/13/979015213.db2.gz PULLAPQYSGVTHP-GDBMZVCRSA-N 2 1 244.382 2.406 20 0 BEADMP Cc1cc(C)c(C[N@H+]2C[C@H]3C[NH2+]CC[C@H]32)c(C)c1 ZINC001235261762 979015216 /nfs/dbraw/zinc/01/52/16/979015216.db2.gz PULLAPQYSGVTHP-GDBMZVCRSA-N 2 1 244.382 2.406 20 0 BEADMP [NH3+]CCCC[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001235690659 979117623 /nfs/dbraw/zinc/11/76/23/979117623.db2.gz GTCDOJHXDMNKMO-HNNXBMFYSA-N 2 1 248.370 2.269 20 0 BEADMP CCc1cccc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)c1 ZINC001235712434 979131828 /nfs/dbraw/zinc/13/18/28/979131828.db2.gz CTGIDGFDEKNGLZ-UHFFFAOYSA-N 2 1 244.382 2.434 20 0 BEADMP CCc1cccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)c1 ZINC001235712434 979131836 /nfs/dbraw/zinc/13/18/36/979131836.db2.gz CTGIDGFDEKNGLZ-UHFFFAOYSA-N 2 1 244.382 2.434 20 0 BEADMP [NH3+]CCCC[N@H+]1CC[C@H]1COCc1ccccc1 ZINC001235716077 979133624 /nfs/dbraw/zinc/13/36/24/979133624.db2.gz YGRAREBGJVEAPF-HNNXBMFYSA-N 2 1 248.370 2.016 20 0 BEADMP C[C@@H]([NH3+])C[N@H+](Cc1ccccc1)C1CCOCC1 ZINC001235840514 979169705 /nfs/dbraw/zinc/16/97/05/979169705.db2.gz NCBAHECXQMSYCW-CYBMUJFWSA-N 2 1 248.370 2.015 20 0 BEADMP C[C@@H]([NH3+])C[N@@H+](Cc1ccccc1)C1CCOCC1 ZINC001235840514 979169714 /nfs/dbraw/zinc/16/97/14/979169714.db2.gz NCBAHECXQMSYCW-CYBMUJFWSA-N 2 1 248.370 2.015 20 0 BEADMP Cc1cccc(CC[N@H+]2C[C@@H]([NH3+])CC[C@H]2C)c1 ZINC001235891776 979182929 /nfs/dbraw/zinc/18/29/29/979182929.db2.gz IXVZKHJIAYXYRU-HIFRSBDPSA-N 2 1 232.371 2.349 20 0 BEADMP Cc1cccc(CC[N@@H+]2C[C@@H]([NH3+])CC[C@H]2C)c1 ZINC001235891776 979182934 /nfs/dbraw/zinc/18/29/34/979182934.db2.gz IXVZKHJIAYXYRU-HIFRSBDPSA-N 2 1 232.371 2.349 20 0 BEADMP C(CC1CCCC1)C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235929331 979210257 /nfs/dbraw/zinc/21/02/57/979210257.db2.gz MCKSDXMAFQAWIU-HUUCEWRRSA-N 2 1 236.403 2.498 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@@H+](CC[C@H]2COC(C)(C)[NH2+]2)C1 ZINC001235948254 979217196 /nfs/dbraw/zinc/21/71/96/979217196.db2.gz KYXASGKHKKBCBO-XQQFMLRXSA-N 2 1 240.391 2.079 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@H+](CC[C@H]2COC(C)(C)[NH2+]2)C1 ZINC001235948254 979217213 /nfs/dbraw/zinc/21/72/13/979217213.db2.gz KYXASGKHKKBCBO-XQQFMLRXSA-N 2 1 240.391 2.079 20 0 BEADMP C[C@H]1C[C@H](C)C[NH+](CC[C@H]2COC(C)(C)[NH2+]2)C1 ZINC001235948249 979218096 /nfs/dbraw/zinc/21/80/96/979218096.db2.gz KYXASGKHKKBCBO-AVGNSLFASA-N 2 1 240.391 2.079 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1C ZINC001235958461 979226224 /nfs/dbraw/zinc/22/62/24/979226224.db2.gz FGXQPIWLYOTSSI-MUJYYYPQSA-N 2 1 244.382 2.473 20 0 BEADMP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1cccc3[nH]ccc31)C2 ZINC001235977179 979241327 /nfs/dbraw/zinc/24/13/27/979241327.db2.gz FSURVYJUBPTFLH-SWLSCSKDSA-N 2 1 241.338 2.091 20 0 BEADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1cccc3[nH]ccc31)C2 ZINC001235977179 979241333 /nfs/dbraw/zinc/24/13/33/979241333.db2.gz FSURVYJUBPTFLH-SWLSCSKDSA-N 2 1 241.338 2.091 20 0 BEADMP Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1C ZINC001235977887 979241392 /nfs/dbraw/zinc/24/13/92/979241392.db2.gz HUWCUQKUXVSKJE-LSDHHAIUSA-N 2 1 230.355 2.227 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1C ZINC001235977887 979241403 /nfs/dbraw/zinc/24/14/03/979241403.db2.gz HUWCUQKUXVSKJE-LSDHHAIUSA-N 2 1 230.355 2.227 20 0 BEADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](CCC1CCCCC1)C2 ZINC001235981868 979245111 /nfs/dbraw/zinc/24/51/11/979245111.db2.gz YHJYLFCVUTWSDR-UONOGXRCSA-N 2 1 222.376 2.380 20 0 BEADMP CC/C=C\CCC[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235981104 979260177 /nfs/dbraw/zinc/26/01/77/979260177.db2.gz UNFQIVCJVABOMV-LDIIPZEWSA-N 2 1 208.349 2.156 20 0 BEADMP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1cccc3ccoc31)C2 ZINC001235984217 979266571 /nfs/dbraw/zinc/26/65/71/979266571.db2.gz BCWJNGQVQUJSEO-ZFWWWQNUSA-N 2 1 242.322 2.356 20 0 BEADMP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1cccc3ccoc31)C2 ZINC001235984217 979266584 /nfs/dbraw/zinc/26/65/84/979266584.db2.gz BCWJNGQVQUJSEO-ZFWWWQNUSA-N 2 1 242.322 2.356 20 0 BEADMP CC(C)CCC[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236059888 979347111 /nfs/dbraw/zinc/34/71/11/979347111.db2.gz NEMAVONRMJRUAL-STQMWFEESA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236059888 979347120 /nfs/dbraw/zinc/34/71/20/979347120.db2.gz NEMAVONRMJRUAL-STQMWFEESA-N 2 1 210.365 2.106 20 0 BEADMP [NH3+]CCCC[N@@H+]1Cc2cccc(Cl)c2C1 ZINC001236072052 979361585 /nfs/dbraw/zinc/36/15/85/979361585.db2.gz DOPVZXLULJDHOF-UHFFFAOYSA-N 2 1 224.735 2.395 20 0 BEADMP [NH3+]CCCC[N@H+]1Cc2cccc(Cl)c2C1 ZINC001236072052 979361594 /nfs/dbraw/zinc/36/15/94/979361594.db2.gz DOPVZXLULJDHOF-UHFFFAOYSA-N 2 1 224.735 2.395 20 0 BEADMP CC1CC(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC001341375589 979366502 /nfs/dbraw/zinc/36/65/02/979366502.db2.gz OFGMKYZPFJTEOL-JXQTWKCFSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H](C[N@@H+]1CCC[C@@H]1C[NH3+])OCc1ccccc1 ZINC001236244656 979461423 /nfs/dbraw/zinc/46/14/23/979461423.db2.gz MWVMMGARSUNSGJ-DZGCQCFKSA-N 2 1 248.370 2.015 20 0 BEADMP C[C@@H](C[N@H+]1CCC[C@@H]1C[NH3+])OCc1ccccc1 ZINC001236244656 979461429 /nfs/dbraw/zinc/46/14/29/979461429.db2.gz MWVMMGARSUNSGJ-DZGCQCFKSA-N 2 1 248.370 2.015 20 0 BEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2C[C@@H]3CCC[C@@H]32)C1 ZINC001182250406 979481149 /nfs/dbraw/zinc/48/11/49/979481149.db2.gz JKLBVZIULVVZSE-AJNGGQMLSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CC[NH2+]CC[C@H]2C)c1 ZINC000085622263 979525030 /nfs/dbraw/zinc/52/50/30/979525030.db2.gz JXIVGSKNXLHXAX-CQSZACIVSA-N 2 1 232.371 2.487 20 0 BEADMP Cc1cc(C)cc(C[N@@H+]2CC[NH2+]CC[C@H]2C)c1 ZINC000085622263 979525035 /nfs/dbraw/zinc/52/50/35/979525035.db2.gz JXIVGSKNXLHXAX-CQSZACIVSA-N 2 1 232.371 2.487 20 0 BEADMP CCCCC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315090 979526169 /nfs/dbraw/zinc/52/61/69/979526169.db2.gz VRIGNGLUWLXUIL-BETUJISGSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000085622339 979528154 /nfs/dbraw/zinc/52/81/54/979528154.db2.gz GQZQJRGWIJZHED-CYBMUJFWSA-N 2 1 244.382 2.359 20 0 BEADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000085622339 979528161 /nfs/dbraw/zinc/52/81/61/979528161.db2.gz GQZQJRGWIJZHED-CYBMUJFWSA-N 2 1 244.382 2.359 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)[nH]1 ZINC001236317618 979531739 /nfs/dbraw/zinc/53/17/39/979531739.db2.gz ZZDLKBYCXYOVNE-OKILXGFUSA-N 2 1 247.386 2.063 20 0 BEADMP CC(C)c1ccccc1C[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413002 979585641 /nfs/dbraw/zinc/58/56/41/979585641.db2.gz MMNWEMROODJNJO-ZSHCYNCHSA-N 2 1 244.382 2.460 20 0 BEADMP CC(C)c1ccccc1C[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413002 979585644 /nfs/dbraw/zinc/58/56/44/979585644.db2.gz MMNWEMROODJNJO-ZSHCYNCHSA-N 2 1 244.382 2.460 20 0 BEADMP CC(C)c1cccc(C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC001236414772 979588283 /nfs/dbraw/zinc/58/82/83/979588283.db2.gz SHIVPMBDLHGZLS-ZSHCYNCHSA-N 2 1 244.382 2.460 20 0 BEADMP CC(C)c1cccc(C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC001236414772 979588290 /nfs/dbraw/zinc/58/82/90/979588290.db2.gz SHIVPMBDLHGZLS-ZSHCYNCHSA-N 2 1 244.382 2.460 20 0 BEADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccco2)C1 ZINC001206541512 979642830 /nfs/dbraw/zinc/64/28/30/979642830.db2.gz IDCBBULVIDIZOO-ZDUSSCGKSA-N 2 1 222.332 2.231 20 0 BEADMP C[C@H]1C[N@@H+](CCCC[NH3+])[C@@H](c2ccccc2)CO1 ZINC001236620239 979681010 /nfs/dbraw/zinc/68/10/10/979681010.db2.gz AUPBZZFXBHVLFA-DZGCQCFKSA-N 2 1 248.370 2.187 20 0 BEADMP CS[C@H](C)CC[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205254703 979730427 /nfs/dbraw/zinc/73/04/27/979730427.db2.gz ACGQGHGTXOAZFP-VXGBXAGGSA-N 2 1 230.421 2.331 20 0 BEADMP CC[C@H]([NH3+])C[N@H+](C)CCc1cccc(C)c1 ZINC001236860713 979764803 /nfs/dbraw/zinc/76/48/03/979764803.db2.gz UCFKXHCNIXKPSA-AWEZNQCLSA-N 2 1 220.360 2.207 20 0 BEADMP CC[C@H]([NH3+])C[N@@H+](C)CCc1cccc(C)c1 ZINC001236860713 979764810 /nfs/dbraw/zinc/76/48/10/979764810.db2.gz UCFKXHCNIXKPSA-AWEZNQCLSA-N 2 1 220.360 2.207 20 0 BEADMP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc2ccncc21 ZINC001236869175 979773619 /nfs/dbraw/zinc/77/36/19/979773619.db2.gz VBAATAAWQGMRIX-AWEZNQCLSA-N 2 1 243.354 2.404 20 0 BEADMP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc2ccncc21 ZINC001236869175 979773629 /nfs/dbraw/zinc/77/36/29/979773629.db2.gz VBAATAAWQGMRIX-AWEZNQCLSA-N 2 1 243.354 2.404 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(C)n1 ZINC001205281645 979890351 /nfs/dbraw/zinc/89/03/51/979890351.db2.gz WWCGDUXZTLZYFR-HNNXBMFYSA-N 2 1 247.386 2.402 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cnc1C ZINC001205289143 979938319 /nfs/dbraw/zinc/93/83/19/979938319.db2.gz TXRUQLDCDWFIGE-HNNXBMFYSA-N 2 1 247.386 2.402 20 0 BEADMP CCC[N@@H+](CCOC)Cc1cccc2c[nH+]cn21 ZINC001238102786 980149254 /nfs/dbraw/zinc/14/92/54/980149254.db2.gz IJWBHCIHWDQMNM-UHFFFAOYSA-N 2 1 247.342 2.193 20 0 BEADMP F[C@@H]1C[N@H+](Cc2cccc3c[nH+]cn32)C[C@@H]2C[C@@H]21 ZINC001238107945 980154619 /nfs/dbraw/zinc/15/46/19/980154619.db2.gz STVHAGLPGVUHJE-LEWSCRJBSA-N 2 1 245.301 2.124 20 0 BEADMP F[C@@H]1C[N@@H+](Cc2cccc3c[nH+]cn32)C[C@@H]2C[C@@H]21 ZINC001238107945 980154624 /nfs/dbraw/zinc/15/46/24/980154624.db2.gz STVHAGLPGVUHJE-LEWSCRJBSA-N 2 1 245.301 2.124 20 0 BEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCn1cccc1 ZINC001278189359 980163221 /nfs/dbraw/zinc/16/32/21/980163221.db2.gz QEMILPJHDITWFF-GOOCMWNKSA-N 2 1 247.386 2.093 20 0 BEADMP C([C@@H]1CC2CCC1CC2)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000691659523 980375975 /nfs/dbraw/zinc/37/59/75/980375975.db2.gz GYRRWGCKKZFABC-CKUJCDMFSA-N 2 1 248.414 2.498 20 0 BEADMP COC(=[NH2+])c1cccc(-c2cncc(C[NH3+])c2)c1 ZINC001239804121 980942471 /nfs/dbraw/zinc/94/24/71/980942471.db2.gz LPEZQQPWWFAAFG-UHFFFAOYSA-N 2 1 241.294 2.179 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]Cc2cccn2C2CC2)CC[N@H+]1C ZINC001347781892 981173221 /nfs/dbraw/zinc/17/32/21/981173221.db2.gz JHZUFJVGVDTFAA-STQMWFEESA-N 2 1 247.386 2.395 20 0 BEADMP C[C@H]1C[C@@H](NCc2cccn2C2CC2)CC[N@H+]1C ZINC001347781892 981173206 /nfs/dbraw/zinc/17/32/06/981173206.db2.gz JHZUFJVGVDTFAA-STQMWFEESA-N 2 1 247.386 2.395 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]Cc2cccn2C2CC2)CCN1C ZINC001347781892 981173211 /nfs/dbraw/zinc/17/32/11/981173211.db2.gz JHZUFJVGVDTFAA-STQMWFEESA-N 2 1 247.386 2.395 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]Cc2cccn2C2CC2)CC[N@@H+]1C ZINC001347781892 981173215 /nfs/dbraw/zinc/17/32/15/981173215.db2.gz JHZUFJVGVDTFAA-STQMWFEESA-N 2 1 247.386 2.395 20 0 BEADMP C[C@H]1CC[N@@H+](Cc2ccc(O)cc2)CC[C@@H]1C[NH3+] ZINC001205603679 981174193 /nfs/dbraw/zinc/17/41/93/981174193.db2.gz RXKGVNRMUVKVBK-GXTWGEPZSA-N 2 1 248.370 2.199 20 0 BEADMP Cc1cccnc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205603990 981175680 /nfs/dbraw/zinc/17/56/80/981175680.db2.gz SXSIKGFAADBTGI-JSGCOSHPSA-N 2 1 247.386 2.197 20 0 BEADMP Cc1c[nH]c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1C ZINC001205625260 981267903 /nfs/dbraw/zinc/26/79/03/981267903.db2.gz ANUJZYQKDVSXTA-SMDDNHRTSA-N 2 1 249.402 2.438 20 0 BEADMP CO[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001348100598 981279101 /nfs/dbraw/zinc/27/91/01/981279101.db2.gz YFSFFZCTDWMZJU-JHJVBQTASA-N 2 1 240.391 2.016 20 0 BEADMP C[N@H+]1CCc2c(F)cc(C3=CC[NH2+]CC3)cc2C1 ZINC001240470828 981407924 /nfs/dbraw/zinc/40/79/24/981407924.db2.gz UTLHWRRVGUYUGO-UHFFFAOYSA-N 2 1 246.329 2.190 20 0 BEADMP C[N@H+]1CC[C@@H](c2ccc(C3=CC[NH2+]CC3)cc2)C1 ZINC001240470280 981408306 /nfs/dbraw/zinc/40/83/06/981408306.db2.gz LKBLTYBVHNSYET-MRXNPFEDSA-N 2 1 242.366 2.482 20 0 BEADMP C[C@H]1CC[N@@H+](Cc2cccc(N)c2)CC[C@@H]1C[NH3+] ZINC001205638816 981411908 /nfs/dbraw/zinc/41/19/08/981411908.db2.gz SERXEMVDSLTTJC-GXTWGEPZSA-N 2 1 247.386 2.076 20 0 BEADMP Cc1[nH+]c(C2=CCC[NH2+]C2)cc2[nH]ccc21 ZINC001240652855 981564324 /nfs/dbraw/zinc/56/43/24/981564324.db2.gz FRNBCHYCSHPLAT-UHFFFAOYSA-N 2 1 213.284 2.248 20 0 BEADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000691700867 982230468 /nfs/dbraw/zinc/23/04/68/982230468.db2.gz KXVHQTBGQPHYSR-SHWKFHJASA-N 2 1 236.403 2.483 20 0 BEADMP COC1(C[N@@H+](C)CC(C)(C)C[NH+](C)C)CCC1 ZINC001352114004 982473573 /nfs/dbraw/zinc/47/35/73/982473573.db2.gz XBQHGYGLZUGNCI-UHFFFAOYSA-N 2 1 242.407 2.075 20 0 BEADMP CC1CC([NH2+]C[C@H]2CCC(C)(C)C[NH2+]2)C1 ZINC001352177941 982485345 /nfs/dbraw/zinc/48/53/45/982485345.db2.gz HXUYIFAKHZOKMD-MOENNCHZSA-N 2 1 210.365 2.153 20 0 BEADMP C[NH+](C)/C=C/c1ccncc1C1=CC[N@@H+](C)CC1 ZINC001241333020 982497829 /nfs/dbraw/zinc/49/78/29/982497829.db2.gz PHBACMZZBAKAAR-WEVVVXLNSA-N 2 1 243.354 2.333 20 0 BEADMP CC[C@H](C)[C@@H](C)[N@H+]1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC001198271595 982687617 /nfs/dbraw/zinc/68/76/17/982687617.db2.gz WYVCKAZKYCUFNZ-DGAVXFQQSA-N 2 1 224.392 2.305 20 0 BEADMP CC[C@H](C)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001198271595 982687626 /nfs/dbraw/zinc/68/76/26/982687626.db2.gz WYVCKAZKYCUFNZ-DGAVXFQQSA-N 2 1 224.392 2.305 20 0 BEADMP CC[C@H](C)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001198271595 982687638 /nfs/dbraw/zinc/68/76/38/982687638.db2.gz WYVCKAZKYCUFNZ-DGAVXFQQSA-N 2 1 224.392 2.305 20 0 BEADMP CC[C@H](C)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001198271595 982687643 /nfs/dbraw/zinc/68/76/43/982687643.db2.gz WYVCKAZKYCUFNZ-DGAVXFQQSA-N 2 1 224.392 2.305 20 0 BEADMP CC[C@H](C)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001198271595 982687654 /nfs/dbraw/zinc/68/76/54/982687654.db2.gz WYVCKAZKYCUFNZ-DGAVXFQQSA-N 2 1 224.392 2.305 20 0 BEADMP Cc1cc(N)[nH+]cc1-c1ccc2c(c1)C[NH2+]CC2 ZINC001242084566 983330831 /nfs/dbraw/zinc/33/08/31/983330831.db2.gz UPRJYOCKHCWTLV-UHFFFAOYSA-N 2 1 239.322 2.285 20 0 BEADMP CCCC[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001201707221 983414724 /nfs/dbraw/zinc/41/47/24/983414724.db2.gz WWIBTEJSBNQDRU-UHFFFAOYSA-N 2 1 222.376 2.204 20 0 BEADMP CCCC[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001201707221 983414728 /nfs/dbraw/zinc/41/47/28/983414728.db2.gz WWIBTEJSBNQDRU-UHFFFAOYSA-N 2 1 222.376 2.204 20 0 BEADMP CCCCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001201727051 983433542 /nfs/dbraw/zinc/43/35/42/983433542.db2.gz LWWSSPVABXQRKL-OLZOCXBDSA-N 2 1 210.365 2.060 20 0 BEADMP CCCCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001201727051 983433545 /nfs/dbraw/zinc/43/35/45/983433545.db2.gz LWWSSPVABXQRKL-OLZOCXBDSA-N 2 1 210.365 2.060 20 0 BEADMP CCCCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001201727051 983433550 /nfs/dbraw/zinc/43/35/50/983433550.db2.gz LWWSSPVABXQRKL-OLZOCXBDSA-N 2 1 210.365 2.060 20 0 BEADMP CCCCC[N@@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001201737331 983444504 /nfs/dbraw/zinc/44/45/04/983444504.db2.gz IQEHDCHAHXTDRX-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP CCCC[C@H](O)C[N@@H+](CCC)CCC[NH+](C)C ZINC001252098411 983554143 /nfs/dbraw/zinc/55/41/43/983554143.db2.gz VFPNWNYQUYFIBM-AWEZNQCLSA-N 2 1 244.423 2.201 20 0 BEADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](CCC(C)(C)C)C2 ZINC001202096787 983557522 /nfs/dbraw/zinc/55/75/22/983557522.db2.gz SMINZXBHGZKVPM-TZMCWYRMSA-N 2 1 224.392 2.306 20 0 BEADMP CN1CCC[C@@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC001202190301 983592698 /nfs/dbraw/zinc/59/26/98/983592698.db2.gz NOAQXSRFJVFOON-ZIAGYGMSSA-N 2 1 222.376 2.203 20 0 BEADMP CCC[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)C[C@@H]2C1 ZINC001202189990 983593823 /nfs/dbraw/zinc/59/38/23/983593823.db2.gz ITCUICMXDQUHHD-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP CC1(C)CCCC[C@@H]1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000852749667 983758194 /nfs/dbraw/zinc/75/81/94/983758194.db2.gz OXEXSJZIBCCVRD-MCIONIFRSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000150117617 983967442 /nfs/dbraw/zinc/96/74/42/983967442.db2.gz YVYFOKCGKGRFSZ-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000150117617 983967450 /nfs/dbraw/zinc/96/74/50/983967450.db2.gz YVYFOKCGKGRFSZ-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]([NH2+]C/C=C/c1cccc(F)c1)[C@H](C)[NH3+] ZINC001576105053 984152914 /nfs/dbraw/zinc/15/29/14/984152914.db2.gz NABOXLZEIKFCAG-XDFYEUQUSA-N 2 1 222.307 2.164 20 0 BEADMP CC[C@H](C)CC[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001576983619 984187414 /nfs/dbraw/zinc/18/74/14/984187414.db2.gz CFXWWKONBHOFDU-DTWKUNHWSA-N 2 1 226.286 2.292 20 0 BEADMP C[C@H]1C[N@@H+](CC2CCCC2)CCC[C@@H]1C[NH3+] ZINC001205985016 984219823 /nfs/dbraw/zinc/21/98/23/984219823.db2.gz VBHBJELQMSVOCA-GXTWGEPZSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCC[C@H]1C[NH3+] ZINC001205985225 984301104 /nfs/dbraw/zinc/30/11/04/984301104.db2.gz WODXCDNADFUUSF-ZFWWWQNUSA-N 2 1 232.371 2.493 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@H]1C[C@H]1c1cccc(F)c1)C1CC1 ZINC001580228454 984431027 /nfs/dbraw/zinc/43/10/27/984431027.db2.gz BPKLEZBUKFHRDB-IHRRRGAJSA-N 2 1 234.318 2.009 20 0 BEADMP CC[C@@H](C)C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001275061849 984455074 /nfs/dbraw/zinc/45/50/74/984455074.db2.gz LSYZBOJXHLWSFH-MCIONIFRSA-N 2 1 224.392 2.306 20 0 BEADMP CC[C@@H](C)C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001275061849 984455089 /nfs/dbraw/zinc/45/50/89/984455089.db2.gz LSYZBOJXHLWSFH-MCIONIFRSA-N 2 1 224.392 2.306 20 0 BEADMP CC[C@@H](C)C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001275061849 984455112 /nfs/dbraw/zinc/45/51/12/984455112.db2.gz LSYZBOJXHLWSFH-MCIONIFRSA-N 2 1 224.392 2.306 20 0 BEADMP C[N@@H+]1CC[C@H]2C[NH+](CC3CCCC3)C[C@H]2CC1 ZINC001275154015 984508280 /nfs/dbraw/zinc/50/82/80/984508280.db2.gz RSFLFRDSSNOCFM-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]2CC1 ZINC001275154015 984508288 /nfs/dbraw/zinc/50/82/88/984508288.db2.gz RSFLFRDSSNOCFM-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](CC3CCCC3)C[C@H]2CC1 ZINC001275154015 984508294 /nfs/dbraw/zinc/50/82/94/984508294.db2.gz RSFLFRDSSNOCFM-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](CCC(C)(C)C)C2 ZINC001275152090 984510040 /nfs/dbraw/zinc/51/00/40/984510040.db2.gz YHALQHVIIJZTGT-NEPJUHHUSA-N 2 1 210.365 2.059 20 0 BEADMP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](CCC(C)(C)C)C2 ZINC001275152090 984510053 /nfs/dbraw/zinc/51/00/53/984510053.db2.gz YHALQHVIIJZTGT-NEPJUHHUSA-N 2 1 210.365 2.059 20 0 BEADMP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](CCC(C)(C)C)C2 ZINC001275152090 984510060 /nfs/dbraw/zinc/51/00/60/984510060.db2.gz YHALQHVIIJZTGT-NEPJUHHUSA-N 2 1 210.365 2.059 20 0 BEADMP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](CCC(C)(C)C)C2 ZINC001275152090 984510069 /nfs/dbraw/zinc/51/00/69/984510069.db2.gz YHALQHVIIJZTGT-NEPJUHHUSA-N 2 1 210.365 2.059 20 0 BEADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccco3)(C1)CCC2 ZINC001275235293 984525316 /nfs/dbraw/zinc/52/53/16/984525316.db2.gz RBERKEVTWNHSQZ-UONOGXRCSA-N 2 1 234.343 2.434 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21)[C@@H]1C[C@H]1C1CC1 ZINC001308985547 984652998 /nfs/dbraw/zinc/65/29/98/984652998.db2.gz XPHWJMXSDNKKLN-ZCGGHUBDSA-N 2 1 248.414 2.351 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001276032785 984788492 /nfs/dbraw/zinc/78/84/92/984788492.db2.gz LNLFTYNRKVMFDL-QLFBSQMISA-N 2 1 236.403 2.450 20 0 BEADMP C[C@@H]1C[C@H]1C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001276032785 984788514 /nfs/dbraw/zinc/78/85/14/984788514.db2.gz LNLFTYNRKVMFDL-QLFBSQMISA-N 2 1 236.403 2.450 20 0 BEADMP C[C@@H]1C[C@H]1C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001276032785 984788545 /nfs/dbraw/zinc/78/85/45/984788545.db2.gz LNLFTYNRKVMFDL-QLFBSQMISA-N 2 1 236.403 2.450 20 0 BEADMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)[nH]1 ZINC001276071985 984811384 /nfs/dbraw/zinc/81/13/84/984811384.db2.gz LINYSXWSEYAVQB-OKILXGFUSA-N 2 1 247.386 2.097 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)[nH]1 ZINC001276071985 984811387 /nfs/dbraw/zinc/81/13/87/984811387.db2.gz LINYSXWSEYAVQB-OKILXGFUSA-N 2 1 247.386 2.097 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)[nH]1 ZINC001276071985 984811390 /nfs/dbraw/zinc/81/13/90/984811390.db2.gz LINYSXWSEYAVQB-OKILXGFUSA-N 2 1 247.386 2.097 20 0 BEADMP CCO[C@@H]1CCC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)C1 ZINC001578098285 984848223 /nfs/dbraw/zinc/84/82/23/984848223.db2.gz VXDKCJSHSYNPRK-HZSPNIEDSA-N 2 1 242.407 2.297 20 0 BEADMP CCOc1ccc(NCC(C)(C)C[NH3+])[nH+]c1C ZINC001578183413 984867844 /nfs/dbraw/zinc/86/78/44/984867844.db2.gz QBEXFOULKYZUMU-UHFFFAOYSA-N 2 1 237.347 2.186 20 0 BEADMP CCn1ccc(C[N@@H+](C)C[C@H](C[NH3+])C(C)C)c1 ZINC001578350433 984985417 /nfs/dbraw/zinc/98/54/17/984985417.db2.gz OSOWZDPJWPZOTA-AWEZNQCLSA-N 2 1 237.391 2.171 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])[C@H](CO)CC(C)(C)C ZINC001578465753 985099043 /nfs/dbraw/zinc/09/90/43/985099043.db2.gz LOYRPDXNOVGLDD-ZDUSSCGKSA-N 2 1 244.423 2.234 20 0 BEADMP C[N@@H+](Cc1ccc2[nH]ccc2c1)C1CC([NH3+])C1 ZINC001578490144 985121026 /nfs/dbraw/zinc/12/10/26/985121026.db2.gz CNCNDURQFSNCBH-UHFFFAOYSA-N 2 1 229.327 2.089 20 0 BEADMP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000688242617 985589535 /nfs/dbraw/zinc/58/95/35/985589535.db2.gz VHGDVTZWLSGJEG-WDEREUQCSA-N 2 1 232.318 2.233 20 0 BEADMP CSCC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001258199963 985607356 /nfs/dbraw/zinc/60/73/56/985607356.db2.gz LXXROOYSMKWHQP-OLZOCXBDSA-N 2 1 244.448 2.450 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000688287010 985608199 /nfs/dbraw/zinc/60/81/99/985608199.db2.gz BHKDOOPHPXUONQ-KWCYVHTRSA-N 2 1 222.376 2.106 20 0 BEADMP C[N@H+]1CCc2ccc(C3=C[NH2+]CCC3)cc2C1 ZINC001243951979 985657782 /nfs/dbraw/zinc/65/77/82/985657782.db2.gz FDGNIUJDANWJQT-UHFFFAOYSA-N 2 1 228.339 2.399 20 0 BEADMP CCCCC[C@@H](CC)[NH2+]CCC[N@@H+](C)CCO ZINC001258435284 985880394 /nfs/dbraw/zinc/88/03/94/985880394.db2.gz JVSMJYYTMMEZQA-CQSZACIVSA-N 2 1 244.423 2.249 20 0 BEADMP [NH3+]C[C@H]1CCCC[N@@H+](CCCc2cccnc2)C1 ZINC001206607146 985957558 /nfs/dbraw/zinc/95/75/58/985957558.db2.gz WOAHOUZQWWIUBN-OAHLLOKOSA-N 2 1 247.386 2.075 20 0 BEADMP C[C@H]1[NH2+]CC[C@@H]1[NH2+]C1CC(c2cccc(F)c2)C1 ZINC001579505210 986047360 /nfs/dbraw/zinc/04/73/60/986047360.db2.gz PIUVYRHJOIAMQC-WPSFFTEHSA-N 2 1 248.345 2.412 20 0 BEADMP F[C@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001461679043 986103347 /nfs/dbraw/zinc/10/33/47/986103347.db2.gz UKOXHEIBSBABER-XDQVBPFNSA-N 2 1 240.366 2.484 20 0 BEADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc(C)n1 ZINC001579598177 986115411 /nfs/dbraw/zinc/11/54/11/986115411.db2.gz GYXKIMXDXZRSCI-UKRRQHHQSA-N 2 1 247.386 2.258 20 0 BEADMP CCC[NH+]1CCC([N@H+](CC)C2CC2)CC1 ZINC001258771409 986157974 /nfs/dbraw/zinc/15/79/74/986157974.db2.gz AAHUBTSEEOBELS-UHFFFAOYSA-N 2 1 210.365 2.345 20 0 BEADMP CCC[NH+]1CCC([N@@H+](CC)C2CC2)CC1 ZINC001258771409 986158013 /nfs/dbraw/zinc/15/80/13/986158013.db2.gz AAHUBTSEEOBELS-UHFFFAOYSA-N 2 1 210.365 2.345 20 0 BEADMP Cc1ccccc1OCC[N@H+](C)CC1(C[NH3+])CC1 ZINC001579804646 986224877 /nfs/dbraw/zinc/22/48/77/986224877.db2.gz KGGVGFYCFDKLEM-UHFFFAOYSA-N 2 1 248.370 2.045 20 0 BEADMP C[C@H]1CCC[C@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC001258825486 986288031 /nfs/dbraw/zinc/28/80/31/986288031.db2.gz DBHSJPLDWQMPCL-FQUUOJAGSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@H]1CCC[C@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC001258825486 986288041 /nfs/dbraw/zinc/28/80/41/986288041.db2.gz DBHSJPLDWQMPCL-FQUUOJAGSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@H]1CCC[C@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC001258825486 986288054 /nfs/dbraw/zinc/28/80/54/986288054.db2.gz DBHSJPLDWQMPCL-FQUUOJAGSA-N 2 1 222.376 2.059 20 0 BEADMP Cn1cccc1[C@@H]1CCC[N@H+]1CC(C)(C)C[NH3+] ZINC001579974622 986378482 /nfs/dbraw/zinc/37/84/82/986378482.db2.gz PMAXNBGIMZGSIO-ZDUSSCGKSA-N 2 1 235.375 2.147 20 0 BEADMP [NH3+][C@H](C[NH2+]C[C@@H]1CC=CCC1)CC(F)(F)F ZINC001580131372 986592781 /nfs/dbraw/zinc/59/27/81/986592781.db2.gz CNODZIQBEYMLQG-ZJUUUORDSA-N 2 1 236.281 2.212 20 0 BEADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(CF)cc1)C2 ZINC001580157747 986630656 /nfs/dbraw/zinc/63/06/56/986630656.db2.gz LRGJACPGFUAPFV-HUUCEWRRSA-N 2 1 248.345 2.469 20 0 BEADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(CF)cc1)C2 ZINC001580157747 986630665 /nfs/dbraw/zinc/63/06/65/986630665.db2.gz LRGJACPGFUAPFV-HUUCEWRRSA-N 2 1 248.345 2.469 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2C[C@H]3[C@H](CC3(F)F)C2)CC1 ZINC001254519832 986652430 /nfs/dbraw/zinc/65/24/30/986652430.db2.gz KMOORLADPNCQHC-UTUOFQBUSA-N 2 1 244.329 2.058 20 0 BEADMP C[NH+]1CCC[C@@H]([N@H+]2C[C@H]3[C@H](CC3(F)F)C2)CC1 ZINC001254519832 986652441 /nfs/dbraw/zinc/65/24/41/986652441.db2.gz KMOORLADPNCQHC-UTUOFQBUSA-N 2 1 244.329 2.058 20 0 BEADMP C[NH+]1CCC[C@@H]([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)CC1 ZINC001254519832 986652450 /nfs/dbraw/zinc/65/24/50/986652450.db2.gz KMOORLADPNCQHC-UTUOFQBUSA-N 2 1 244.329 2.058 20 0 BEADMP CC1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254517948 986659895 /nfs/dbraw/zinc/65/98/95/986659895.db2.gz ZOTSJWJCVBSSTJ-ZDUSSCGKSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1CCCC[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254515817 986661983 /nfs/dbraw/zinc/66/19/83/986661983.db2.gz DKZZQTDVHDGXDD-OLZOCXBDSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@@H]1CCCC[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254515817 986661987 /nfs/dbraw/zinc/66/19/87/986661987.db2.gz DKZZQTDVHDGXDD-OLZOCXBDSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@@H]1CCCC[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254515817 986661997 /nfs/dbraw/zinc/66/19/97/986661997.db2.gz DKZZQTDVHDGXDD-OLZOCXBDSA-N 2 1 210.365 2.345 20 0 BEADMP CCC[N@@H+](CC(C)C)[C@@H](C)CC[NH2+]C ZINC000379592954 986668131 /nfs/dbraw/zinc/66/81/31/986668131.db2.gz ZWGBQAFSQCMWMC-LBPRGKRZSA-N 2 1 200.370 2.352 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCC23CCC3)C1 ZINC001580387156 986811769 /nfs/dbraw/zinc/81/17/69/986811769.db2.gz OKKVHLPQJGKPSM-NWDGAFQWSA-N 2 1 208.349 2.132 20 0 BEADMP CC(C)OC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000695129696 987330712 /nfs/dbraw/zinc/33/07/12/987330712.db2.gz BZHQWLPCKOLYPG-UHFFFAOYSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)[C@@H]1C ZINC000697017862 987342769 /nfs/dbraw/zinc/34/27/69/987342769.db2.gz VAMPCPLXFRXPOG-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000697017473 987343459 /nfs/dbraw/zinc/34/34/59/987343459.db2.gz SPJYCACUJLJFEM-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)[N@@H+](CC1CC1)C[C@H]1CCCC[NH2+]C1 ZINC000697054075 987348051 /nfs/dbraw/zinc/34/80/51/987348051.db2.gz ZXRVODIFAAVVOS-AWEZNQCLSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000697052755 987348681 /nfs/dbraw/zinc/34/86/81/987348681.db2.gz QJPMGXYWYNNUTE-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP CCCCC[C@@H](O)C[N@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001246067850 987356498 /nfs/dbraw/zinc/35/64/98/987356498.db2.gz VGKKOGDIYIINPO-KGLIPLIRSA-N 2 1 242.407 2.002 20 0 BEADMP CCCCC[C@@H](O)C[N@@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001246067850 987356507 /nfs/dbraw/zinc/35/65/07/987356507.db2.gz VGKKOGDIYIINPO-KGLIPLIRSA-N 2 1 242.407 2.002 20 0 BEADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000699309647 987372811 /nfs/dbraw/zinc/37/28/11/987372811.db2.gz BNDJWKFDPFUWRM-YHWZYXNKSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C(C)(C)c2cccnc2)CC[NH2+]1 ZINC001246082679 987376507 /nfs/dbraw/zinc/37/65/07/987376507.db2.gz RQRLGDWROQUHGD-DGCLKSJQSA-N 2 1 233.359 2.047 20 0 BEADMP C[C@H]1CCC[C@@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246083815 987382641 /nfs/dbraw/zinc/38/26/41/987382641.db2.gz KHFMBHIDFPGSFM-RVMXOQNASA-N 2 1 210.365 2.295 20 0 BEADMP CC[C@@H](C)OCC[C@@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246085404 987386223 /nfs/dbraw/zinc/38/62/23/987386223.db2.gz QRJCGIXRUSTJHX-DGAVXFQQSA-N 2 1 242.407 2.310 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C[C@H]1C ZINC001246095435 987404848 /nfs/dbraw/zinc/40/48/48/987404848.db2.gz IODWOOKTZVVCNE-POQQGIQPSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@H](C)C1 ZINC001246098314 987412217 /nfs/dbraw/zinc/41/22/17/987412217.db2.gz QVUWSIHYHLYEBM-LOWDOPEQSA-N 2 1 210.365 2.153 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC001246103330 987430648 /nfs/dbraw/zinc/43/06/48/987430648.db2.gz XUFPLHNEXWPVCJ-HNNXBMFYSA-N 2 1 232.371 2.269 20 0 BEADMP Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC001246121565 987466961 /nfs/dbraw/zinc/46/69/61/987466961.db2.gz BPVUJSCBXVVYDF-CVEARBPZSA-N 2 1 244.382 2.194 20 0 BEADMP CC[C@H](C)C[C@H](CC)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246132432 987481353 /nfs/dbraw/zinc/48/13/53/987481353.db2.gz CTUHCTAXBDIRFO-CYDGBPFRSA-N 2 1 210.365 2.153 20 0 BEADMP Cc1ccc(C[C@@H](C)[NH2+][C@@H]2C[NH2+]CC23CC3)cc1 ZINC001246130680 987482490 /nfs/dbraw/zinc/48/24/90/987482490.db2.gz JCAOITBFUNQZDZ-UKRRQHHQSA-N 2 1 244.382 2.268 20 0 BEADMP Cc1ccc(CCC[NH2+][C@@H]2CCC[NH2+]C2)s1 ZINC001246130869 987484256 /nfs/dbraw/zinc/48/42/56/987484256.db2.gz WYIPPCLWVGROBV-GFCCVEGCSA-N 2 1 238.400 2.331 20 0 BEADMP CCc1ccc(CC[NH2+][C@H]2C[NH2+][C@@H](C)C2)cc1 ZINC001246157316 987518429 /nfs/dbraw/zinc/51/84/29/987518429.db2.gz GFWWTMLVJDTAQR-SWLSCSKDSA-N 2 1 232.371 2.132 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C2(c3ccccc3)CC2)CC[NH2+]1 ZINC001246178528 987549738 /nfs/dbraw/zinc/54/97/38/987549738.db2.gz YWLOFUDFVYGYBR-JSGCOSHPSA-N 2 1 230.355 2.406 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C[NH2+]1 ZINC001246177768 987549784 /nfs/dbraw/zinc/54/97/84/987549784.db2.gz JUMSCYGFFJYKFD-WCQYABFASA-N 2 1 210.365 2.297 20 0 BEADMP Fc1cccc2c1C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)CC2 ZINC001246185532 987559308 /nfs/dbraw/zinc/55/93/08/987559308.db2.gz BPISGQYTNTVSEW-CHWSQXEVSA-N 2 1 248.345 2.025 20 0 BEADMP CC[C@H]([NH2+]C1CC[NH2+]CC1)c1ncccc1C ZINC001246189794 987581849 /nfs/dbraw/zinc/58/18/49/987581849.db2.gz LZCQDFHPFJDZBU-ZDUSSCGKSA-N 2 1 233.359 2.183 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+]1CC2CCC1CC2 ZINC001116456257 987586911 /nfs/dbraw/zinc/58/69/11/987586911.db2.gz OVNNNOQGIQAVMI-UHFFFAOYSA-N 2 1 219.332 2.066 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+]1CC2CCC1CC2 ZINC001116456257 987586919 /nfs/dbraw/zinc/58/69/19/987586919.db2.gz OVNNNOQGIQAVMI-UHFFFAOYSA-N 2 1 219.332 2.066 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)nc1 ZINC001246231158 987630366 /nfs/dbraw/zinc/63/03/66/987630366.db2.gz SFJGISPAJUXDHX-AVGNSLFASA-N 2 1 233.359 2.181 20 0 BEADMP CCC1([NH2+][C@H]2CCC[NH2+]C2)CCCCC1 ZINC001246257244 987651720 /nfs/dbraw/zinc/65/17/20/987651720.db2.gz RVIIYEGGXHHSTA-LBPRGKRZSA-N 2 1 210.365 2.441 20 0 BEADMP CC[C@@H]1CC([NH2+]CCC(C)(C)[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246273711 987670834 /nfs/dbraw/zinc/67/08/34/987670834.db2.gz QNYQVQFZGHGTNS-VXGBXAGGSA-N 3 1 241.423 2.013 20 0 BEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(O)cc32)CC[NH2+]1 ZINC001246285036 987679515 /nfs/dbraw/zinc/67/95/15/987679515.db2.gz FDWCCVPCWHXMTQ-ITDIGPHOSA-N 2 1 246.354 2.110 20 0 BEADMP CC[C@@H]([NH3+])CC[NH2+][C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246303945 987701868 /nfs/dbraw/zinc/70/18/68/987701868.db2.gz BMKGONXEVGHFFZ-YIYPIFLZSA-N 3 1 241.423 2.013 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CCSC[C@@H]2C)CC1 ZINC001474376495 987702110 /nfs/dbraw/zinc/70/21/10/987702110.db2.gz OFOKGIWFEYUHRQ-LBPRGKRZSA-N 2 1 242.432 2.156 20 0 BEADMP CC1(C)CC[NH2+]C[C@H]1[NH2+]C1CCCCC1 ZINC001246324803 987730345 /nfs/dbraw/zinc/73/03/45/987730345.db2.gz GMDBNVRGGOHTRG-GFCCVEGCSA-N 2 1 210.365 2.297 20 0 BEADMP CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC001246329689 987736030 /nfs/dbraw/zinc/73/60/30/987736030.db2.gz RNZYWZBMPAJHOP-FDYHWXHSSA-N 2 1 210.365 2.295 20 0 BEADMP c1ccc(C2(C[NH2+][C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246331034 987738574 /nfs/dbraw/zinc/73/85/74/987738574.db2.gz GFHFYSYBXBGZAG-OAHLLOKOSA-N 2 1 244.382 2.450 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2C)C[NH2+]1 ZINC001246333651 987741444 /nfs/dbraw/zinc/74/14/44/987741444.db2.gz KZVKDWZGOLKRRQ-FDYHWXHSSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]C2CC3(C2)CC(F)(F)C3)C[NH2+]1 ZINC001246336660 987746235 /nfs/dbraw/zinc/74/62/35/987746235.db2.gz VBTNDAQLYRECOH-VHSXEESVSA-N 2 1 244.329 2.294 20 0 BEADMP CC[N@@H+](C[C@H](C)OC)CC1CC[NH+](CC)CC1 ZINC001474537927 987752786 /nfs/dbraw/zinc/75/27/86/987752786.db2.gz QCEYCVJKCZEWKS-ZDUSSCGKSA-N 2 1 242.407 2.075 20 0 BEADMP CC1(C)C[C@H]([NH2+][C@H]2CNc3ccccc32)CC[NH2+]1 ZINC001246357012 987762793 /nfs/dbraw/zinc/76/27/93/987762793.db2.gz SAWFNBZJRLSDSQ-RISCZKNCSA-N 2 1 245.370 2.273 20 0 BEADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CNc3ccccc32)CC[NH2+]1 ZINC001246356919 987765772 /nfs/dbraw/zinc/76/57/72/987765772.db2.gz RBQFVFFIOLHSOS-JMSVASOKSA-N 2 1 245.370 2.273 20 0 BEADMP Cc1cc2c(cn1)[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC001246374794 987777252 /nfs/dbraw/zinc/77/72/52/987777252.db2.gz VHPZQGRCDWQGEM-UXIGCNINSA-N 2 1 245.370 2.107 20 0 BEADMP CCCC(CCC)[NH2+]C[C@H]1C[NH2+]CC(C)(C)O1 ZINC001246415719 987790595 /nfs/dbraw/zinc/79/05/95/987790595.db2.gz ZFRYCFSVPVJJDX-CYBMUJFWSA-N 2 1 242.407 2.312 20 0 BEADMP C[C@@H](CC(F)(F)F)[NH2+][C@H]1CCCC[C@H]1[NH3+] ZINC001246478531 987837863 /nfs/dbraw/zinc/83/78/63/987837863.db2.gz PCWFXBBUWLUGEY-YIZRAAEISA-N 2 1 224.270 2.187 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1cncc(F)c1 ZINC001246488713 987843353 /nfs/dbraw/zinc/84/33/53/987843353.db2.gz KWJTWNQQFFHKKU-CWSCBRNRSA-N 2 1 237.322 2.012 20 0 BEADMP C[C@H]1C[NH2+]C[C@@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC001246490507 987845112 /nfs/dbraw/zinc/84/51/12/987845112.db2.gz CSACSSPBWCYWDH-BJJPWKGXSA-N 2 1 224.392 2.399 20 0 BEADMP COc1cccc([C@@H](C)C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC001246503536 987856000 /nfs/dbraw/zinc/85/60/00/987856000.db2.gz ZYUJLNIWFBWRAP-JSGCOSHPSA-N 2 1 248.370 2.140 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3O)CC[NH2+]1 ZINC001246504036 987857263 /nfs/dbraw/zinc/85/72/63/987857263.db2.gz OXXGPWATHUPPSI-UHIISALHSA-N 2 1 246.354 2.110 20 0 BEADMP CCCC(CCC)[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246534193 987890602 /nfs/dbraw/zinc/89/06/02/987890602.db2.gz QRXOPGPLBWMCFW-GFCCVEGCSA-N 2 1 210.365 2.378 20 0 BEADMP CCCC(CCC)[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246534193 987890606 /nfs/dbraw/zinc/89/06/06/987890606.db2.gz QRXOPGPLBWMCFW-GFCCVEGCSA-N 2 1 210.365 2.378 20 0 BEADMP CC(C)CC[C@H](C)[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246532829 987890259 /nfs/dbraw/zinc/89/02/59/987890259.db2.gz KOFLUQNRCWMPBF-NWDGAFQWSA-N 2 1 210.365 2.234 20 0 BEADMP CC(C)CC[C@H](C)[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246532829 987890261 /nfs/dbraw/zinc/89/02/61/987890261.db2.gz KOFLUQNRCWMPBF-NWDGAFQWSA-N 2 1 210.365 2.234 20 0 BEADMP CCCCC(CCCC)[N@@H+]1C[C@@H]([NH3+])C[C@H](O)C1 ZINC001246537072 987896960 /nfs/dbraw/zinc/89/69/60/987896960.db2.gz AYQSKEREGIMGIM-JSGCOSHPSA-N 2 1 242.407 2.129 20 0 BEADMP CCCCC(CCCC)[N@H+]1C[C@@H]([NH3+])C[C@H](O)C1 ZINC001246537072 987896963 /nfs/dbraw/zinc/89/69/63/987896963.db2.gz AYQSKEREGIMGIM-JSGCOSHPSA-N 2 1 242.407 2.129 20 0 BEADMP CCCCC(CCCC)[N@H+]1C[C@H](O)C[C@H]([NH3+])C1 ZINC001246537069 987899103 /nfs/dbraw/zinc/89/91/03/987899103.db2.gz AYQSKEREGIMGIM-GXTWGEPZSA-N 2 1 242.407 2.129 20 0 BEADMP CCCCC(CCCC)[N@@H+]1C[C@H](O)C[C@H]([NH3+])C1 ZINC001246537069 987899107 /nfs/dbraw/zinc/89/91/07/987899107.db2.gz AYQSKEREGIMGIM-GXTWGEPZSA-N 2 1 242.407 2.129 20 0 BEADMP C[C@H]1C[N@H+]([C@@H]2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC001246539297 987904312 /nfs/dbraw/zinc/90/43/12/987904312.db2.gz HECQLJLNRQBCLU-YVECIDJPSA-N 2 1 210.365 2.092 20 0 BEADMP CC[C@H](CC(C)C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246540991 987910138 /nfs/dbraw/zinc/91/01/38/987910138.db2.gz LITKAQKPZYYPBP-YNEHKIRRSA-N 2 1 212.381 2.338 20 0 BEADMP CC1(C)[C@@H]2C[C@H]([N@H+]3CCC[C@@H]([NH3+])CC3)C[C@@H]21 ZINC001246543048 987913631 /nfs/dbraw/zinc/91/36/31/987913631.db2.gz RTNFVVZKGHKUHD-FVCCEPFGSA-N 2 1 222.376 2.234 20 0 BEADMP CC1(C)CC[C@H]([N@H+]2CCC[C@@H]([NH3+])CC2)C1 ZINC001246545342 987917324 /nfs/dbraw/zinc/91/73/24/987917324.db2.gz JHKFRHAUBAUUCY-NEPJUHHUSA-N 2 1 210.365 2.378 20 0 BEADMP CCCC[C@H](CC)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246545127 987922968 /nfs/dbraw/zinc/92/29/68/987922968.db2.gz TYZFCTJJCOJLSZ-KBPBESRZSA-N 2 1 242.407 2.131 20 0 BEADMP CO[C@@H]1CCC[C@H]([N@H+]2CCC[C@](C)([NH3+])CC2)C1 ZINC001246546814 987924968 /nfs/dbraw/zinc/92/49/68/987924968.db2.gz AKRHKGCNEADANT-MJBXVCDLSA-N 2 1 240.391 2.147 20 0 BEADMP Cc1ccc2c(c1)C[N@@H+]([C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC001246547684 987929126 /nfs/dbraw/zinc/92/91/26/987929126.db2.gz MCZSYUFUBHUXES-CZUORRHYSA-N 2 1 244.382 2.494 20 0 BEADMP CC[C@H]1CC[C@@H]([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)C1 ZINC001246547748 987930272 /nfs/dbraw/zinc/93/02/72/987930272.db2.gz NBRVWLZDDNQPIM-WUHRBBMRSA-N 2 1 210.365 2.092 20 0 BEADMP CO[C@@H]1CCC[C@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)C1 ZINC001246546811 987931041 /nfs/dbraw/zinc/93/10/41/987931041.db2.gz AKRHKGCNEADANT-BFHYXJOUSA-N 2 1 240.391 2.147 20 0 BEADMP C[C@H](Cc1cccnc1)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246548064 987934510 /nfs/dbraw/zinc/93/45/10/987934510.db2.gz FIIQWBBCFLKCNA-HIFRSBDPSA-N 2 1 247.386 2.216 20 0 BEADMP [NH3+][C@@H]1CCC[N@H+](C2CCC(F)(F)CC2)CC1 ZINC001246549242 987937097 /nfs/dbraw/zinc/93/70/97/987937097.db2.gz WDEBYTHTJWYKFB-SNVBAGLBSA-N 2 1 232.318 2.378 20 0 BEADMP C[C@@H](CC1CC1)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246548362 987940122 /nfs/dbraw/zinc/94/01/22/987940122.db2.gz GIAITTQLRHXXJW-AAEUAGOBSA-N 2 1 210.365 2.378 20 0 BEADMP Cc1ccc(C[C@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001246552767 987955521 /nfs/dbraw/zinc/95/55/21/987955521.db2.gz ZJJQELZAKPFYGM-GZBFAFLISA-N 2 1 232.371 2.348 20 0 BEADMP Cc1ccc(C[C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001246552767 987955529 /nfs/dbraw/zinc/95/55/29/987955529.db2.gz ZJJQELZAKPFYGM-GZBFAFLISA-N 2 1 232.371 2.348 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+]Cc1cc(Cl)cs1 ZINC001117953451 987967472 /nfs/dbraw/zinc/96/74/72/987967472.db2.gz HIBPQOMEMYOJTM-MRVPVSSYSA-N 2 1 232.780 2.489 20 0 BEADMP CCC[C@@H](CC)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246558293 987976414 /nfs/dbraw/zinc/97/64/14/987976414.db2.gz OWHGLZLENXWSOS-WDEREUQCSA-N 2 1 234.334 2.481 20 0 BEADMP C[C@@H]1CC[N@H+](C2CCSCC2)CC[C@H]1C[NH3+] ZINC001246557247 987978082 /nfs/dbraw/zinc/97/80/82/987978082.db2.gz KFXFTQMWIMDWRS-NEPJUHHUSA-N 2 1 242.432 2.189 20 0 BEADMP CCSC[C@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246557296 987978718 /nfs/dbraw/zinc/97/87/18/987978718.db2.gz KKUIOOFCGJDLNN-RYUDHWBXSA-N 2 1 248.411 2.281 20 0 BEADMP CCOCC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246559230 987986483 /nfs/dbraw/zinc/98/64/83/987986483.db2.gz CLPGVGUHFFONKT-MELADBBJSA-N 2 1 242.407 2.108 20 0 BEADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246561870 987990908 /nfs/dbraw/zinc/99/09/08/987990908.db2.gz GYAAJXMSTLJZLK-MQYQWHSLSA-N 2 1 242.407 2.249 20 0 BEADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]3C[C@H]3C2)CC[C@H]1C[NH3+] ZINC001246561416 987991220 /nfs/dbraw/zinc/99/12/20/987991220.db2.gz SLTVLHYHBFMFMJ-BJJPWKGXSA-N 2 1 222.376 2.092 20 0 BEADMP CC[C@@H](C)OCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246561874 987991429 /nfs/dbraw/zinc/99/14/29/987991429.db2.gz GYAAJXMSTLJZLK-RQJABVFESA-N 2 1 242.407 2.249 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)C1 ZINC001246561456 987994626 /nfs/dbraw/zinc/99/46/26/987994626.db2.gz SUMGDYFFCQGTCT-RFGFWPKPSA-N 2 1 224.392 2.482 20 0 BEADMP CCC[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246561916 987998887 /nfs/dbraw/zinc/99/88/87/987998887.db2.gz USPCKZLEKUXPRL-AVGNSLFASA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)C1 ZINC001246567929 988023344 /nfs/dbraw/zinc/02/33/44/988023344.db2.gz NELLSDZIAPVAML-RFGFWPKPSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H](Cc1ccco1)[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246568179 988035458 /nfs/dbraw/zinc/03/54/58/988035458.db2.gz MGSCWYQNSVBJFA-AGIUHOORSA-N 2 1 236.359 2.270 20 0 BEADMP C[C@@H](Cc1ccco1)[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246568179 988035476 /nfs/dbraw/zinc/03/54/76/988035476.db2.gz MGSCWYQNSVBJFA-AGIUHOORSA-N 2 1 236.359 2.270 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](C2CCC3(CC3)CC2)CC[C@@H]1F ZINC001246568610 988041163 /nfs/dbraw/zinc/04/11/63/988041163.db2.gz ANBLHAHKRISXII-QWHCGFSZSA-N 2 1 240.366 2.470 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](C2CCC3(CC3)CC2)CC[C@@H]1F ZINC001246568610 988041177 /nfs/dbraw/zinc/04/11/77/988041177.db2.gz ANBLHAHKRISXII-QWHCGFSZSA-N 2 1 240.366 2.470 20 0 BEADMP Cc1cccc2c1CC[C@H]([N@H+]1C[C@@H](C)[C@H]([NH3+])C1)C2 ZINC001246568234 988043525 /nfs/dbraw/zinc/04/35/25/988043525.db2.gz QJCJTLUQMLOXAE-IVMMDQJWSA-N 2 1 244.382 2.131 20 0 BEADMP CC(C)OCC[C@@H](C)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246584165 988126087 /nfs/dbraw/zinc/12/60/87/988126087.db2.gz SOQUJIIKDGVMBP-KGLIPLIRSA-N 2 1 242.407 2.251 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C)CC2)CC[NH2+]1 ZINC001246584422 988132318 /nfs/dbraw/zinc/13/23/18/988132318.db2.gz ALUDKAYKLDXMEI-XQQFMLRXSA-N 2 1 210.365 2.249 20 0 BEADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCCC[C@H](C[NH3+])C3)C[C@@H]21 ZINC001246584948 988139978 /nfs/dbraw/zinc/13/99/78/988139978.db2.gz XBBWFQLWPIYKRX-SYQHCUMBSA-N 2 1 236.403 2.482 20 0 BEADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)C[C@@H]21 ZINC001246588239 988155069 /nfs/dbraw/zinc/15/50/69/988155069.db2.gz PQAQZWUCPQUFHK-LBELIVKGSA-N 2 1 240.366 2.182 20 0 BEADMP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)C[C@@H]21 ZINC001246588239 988155078 /nfs/dbraw/zinc/15/50/78/988155078.db2.gz PQAQZWUCPQUFHK-LBELIVKGSA-N 2 1 240.366 2.182 20 0 BEADMP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)C[C@@H]21 ZINC001246588248 988159286 /nfs/dbraw/zinc/15/92/86/988159286.db2.gz PQAQZWUCPQUFHK-WJTVCTBASA-N 2 1 240.366 2.182 20 0 BEADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)C[C@@H]21 ZINC001246588248 988159294 /nfs/dbraw/zinc/15/92/94/988159294.db2.gz PQAQZWUCPQUFHK-WJTVCTBASA-N 2 1 240.366 2.182 20 0 BEADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCCOCC2)C1 ZINC001246593916 988185513 /nfs/dbraw/zinc/18/55/13/988185513.db2.gz OTSZHERGZFZJFL-KGLIPLIRSA-N 2 1 240.391 2.006 20 0 BEADMP C[C@@H](Cc1ccc(F)cc1)[NH+]1CC(C)(C[NH3+])C1 ZINC001246597745 988201547 /nfs/dbraw/zinc/20/15/47/988201547.db2.gz MIUJYGBZJUOHAD-NSHDSACASA-N 2 1 236.334 2.037 20 0 BEADMP CCCC[C@H](CCC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246624469 988280368 /nfs/dbraw/zinc/28/03/68/988280368.db2.gz NGDMWGNDPJPUAK-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP CCCC[C@H](CC)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246627983 988299712 /nfs/dbraw/zinc/29/97/12/988299712.db2.gz BLWVYKGJPCPNQT-RWMBFGLXSA-N 2 1 210.365 2.391 20 0 BEADMP C[C@@H]1CC([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C[C@@H](C)C1 ZINC001246632908 988306768 /nfs/dbraw/zinc/30/67/68/988306768.db2.gz ISDJJFXQPGHPOI-AUZPSNTRSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H]1CC([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C[C@H](C)C1 ZINC001246632912 988310121 /nfs/dbraw/zinc/31/01/21/988310121.db2.gz ISDJJFXQPGHPOI-MHDGFBEUSA-N 2 1 222.376 2.247 20 0 BEADMP FC1(F)CCC([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001246633128 988313130 /nfs/dbraw/zinc/31/31/30/988313130.db2.gz JQKYMXZMGSVNOT-WDEREUQCSA-N 2 1 230.302 2.001 20 0 BEADMP FC1(F)CCC([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001246633128 988313140 /nfs/dbraw/zinc/31/31/40/988313140.db2.gz JQKYMXZMGSVNOT-WDEREUQCSA-N 2 1 230.302 2.001 20 0 BEADMP C[C@@H]1CC([N@H+]2CC[C@H]3C[NH2+]C[C@H]32)C[C@@H](C)C1 ZINC001246634314 988314648 /nfs/dbraw/zinc/31/46/48/988314648.db2.gz BOUUIINJSAJAFI-ZJQBRPOHSA-N 2 1 222.376 2.105 20 0 BEADMP C[C@H]1CC([N@H+]2CC[C@H]3C[NH2+]C[C@H]32)C[C@H](C)C1 ZINC001246634313 988317657 /nfs/dbraw/zinc/31/76/57/988317657.db2.gz BOUUIINJSAJAFI-NRWUCQMLSA-N 2 1 222.376 2.105 20 0 BEADMP CCCC[C@H](CC)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246634933 988320514 /nfs/dbraw/zinc/32/05/14/988320514.db2.gz BLWVYKGJPCPNQT-YNEHKIRRSA-N 2 1 210.365 2.391 20 0 BEADMP CC(C)C1CCC([N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)CC1 ZINC001246631799 988322491 /nfs/dbraw/zinc/32/24/91/988322491.db2.gz SPZOSFIGQLSIKS-OOJKYFRXSA-N 2 1 236.403 2.495 20 0 BEADMP CC(C)C1CCC([N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)CC1 ZINC001246631799 988322508 /nfs/dbraw/zinc/32/25/08/988322508.db2.gz SPZOSFIGQLSIKS-OOJKYFRXSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)C[NH2+]1 ZINC001246640479 988342149 /nfs/dbraw/zinc/34/21/49/988342149.db2.gz UONSFSKAHKTOKM-WYUUTHIRSA-N 2 1 244.329 2.104 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC001322633878 988351719 /nfs/dbraw/zinc/35/17/19/988351719.db2.gz OCWUFMYRNBULQE-GFCCVEGCSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)=CCC[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246644321 988357247 /nfs/dbraw/zinc/35/72/47/988357247.db2.gz FRKILGGDUFEDNF-MELADBBJSA-N 2 1 222.376 2.415 20 0 BEADMP CC(C)=CCC[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246644321 988357256 /nfs/dbraw/zinc/35/72/56/988357256.db2.gz FRKILGGDUFEDNF-MELADBBJSA-N 2 1 222.376 2.415 20 0 BEADMP CCC[C@@H](Cc1ccccc1)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246644730 988357610 /nfs/dbraw/zinc/35/76/10/988357610.db2.gz LLHNZUKWKHFYFT-JYJNAYRXSA-N 2 1 244.382 2.431 20 0 BEADMP CCC[C@@H](Cc1ccccc1)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246644730 988357619 /nfs/dbraw/zinc/35/76/19/988357619.db2.gz LLHNZUKWKHFYFT-JYJNAYRXSA-N 2 1 244.382 2.431 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@H]1C ZINC001246647336 988364116 /nfs/dbraw/zinc/36/41/16/988364116.db2.gz KROHLJIPCZFNHG-QKGCVVFFSA-N 2 1 236.403 2.352 20 0 BEADMP CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246648534 988372155 /nfs/dbraw/zinc/37/21/55/988372155.db2.gz XJFPIMBQEARGMU-CYDGBPFRSA-N 2 1 210.365 2.234 20 0 BEADMP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246648534 988372165 /nfs/dbraw/zinc/37/21/65/988372165.db2.gz XJFPIMBQEARGMU-CYDGBPFRSA-N 2 1 210.365 2.234 20 0 BEADMP CC(C)CCC[C@@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246648676 988373145 /nfs/dbraw/zinc/37/31/45/988373145.db2.gz ZRRFMHNIOMSPFJ-HZSPNIEDSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)CCC[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246648676 988373155 /nfs/dbraw/zinc/37/31/55/988373155.db2.gz ZRRFMHNIOMSPFJ-HZSPNIEDSA-N 2 1 224.392 2.495 20 0 BEADMP CC1(C)CCC[C@H]([N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC001246654675 988377465 /nfs/dbraw/zinc/37/74/65/988377465.db2.gz WPEDCILGFNLRPK-RWMBFGLXSA-N 2 1 222.376 2.249 20 0 BEADMP CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246661410 988398402 /nfs/dbraw/zinc/39/84/02/988398402.db2.gz WVMYHYMFPFBHBB-POQQGIQPSA-N 2 1 224.392 2.336 20 0 BEADMP CC[C@H](CC(C)C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001246665167 988402858 /nfs/dbraw/zinc/40/28/58/988402858.db2.gz YUSBUEXCDKNFRU-BFHYXJOUSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](CC(C)C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001246665167 988402864 /nfs/dbraw/zinc/40/28/64/988402864.db2.gz YUSBUEXCDKNFRU-BFHYXJOUSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](CC(C)C)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001246665174 988403113 /nfs/dbraw/zinc/40/31/13/988403113.db2.gz YUSBUEXCDKNFRU-MGPQQGTHSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](CC(C)C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001246665174 988403122 /nfs/dbraw/zinc/40/31/22/988403122.db2.gz YUSBUEXCDKNFRU-MGPQQGTHSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]1CC([N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H](C)C1 ZINC001246666411 988404089 /nfs/dbraw/zinc/40/40/89/988404089.db2.gz JKXBESTWCJFNSE-AAVRWANBSA-N 2 1 236.403 2.352 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](c3ccncc3)C2)CC[NH2+]1 ZINC001246773700 988453675 /nfs/dbraw/zinc/45/36/75/988453675.db2.gz COTYVIFTYIEHGP-BPLDGKMQSA-N 2 1 245.370 2.011 20 0 BEADMP c1cncc([C@@H]2CCCC[N@@H+]2C2CC[NH2+]CC2)c1 ZINC001246781034 988460246 /nfs/dbraw/zinc/46/02/46/988460246.db2.gz MSUPQPUFOYTABA-HNNXBMFYSA-N 2 1 245.370 2.361 20 0 BEADMP c1cncc([C@@H]2CCCC[N@H+]2C2CC[NH2+]CC2)c1 ZINC001246781034 988460252 /nfs/dbraw/zinc/46/02/52/988460252.db2.gz MSUPQPUFOYTABA-HNNXBMFYSA-N 2 1 245.370 2.361 20 0 BEADMP CC[N@H+](Cc1cccnc1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246809022 988490675 /nfs/dbraw/zinc/49/06/75/988490675.db2.gz WIJFFUYEPGDFTM-OCCSQVGLSA-N 2 1 233.359 2.044 20 0 BEADMP CC[N@@H+](Cc1cccnc1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246809022 988490680 /nfs/dbraw/zinc/49/06/80/988490680.db2.gz WIJFFUYEPGDFTM-OCCSQVGLSA-N 2 1 233.359 2.044 20 0 BEADMP CC(C)CC[C@H](C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001246842689 988546625 /nfs/dbraw/zinc/54/66/25/988546625.db2.gz DAGDJKVRDDUYOU-MELADBBJSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])C[C@H]1C ZINC001246841222 988548200 /nfs/dbraw/zinc/54/82/00/988548200.db2.gz NAUFFWJWDCPYLB-PLJUSGQGSA-N 2 1 236.403 2.480 20 0 BEADMP CC[C@H]1CCCC[N@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246843277 988550565 /nfs/dbraw/zinc/55/05/65/988550565.db2.gz FMAHAOQRSOBZIB-FRRDWIJNSA-N 2 1 210.365 2.391 20 0 BEADMP CCCCC[C@H](C)[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001246845906 988559188 /nfs/dbraw/zinc/55/91/88/988559188.db2.gz NERUPRRCAVXVSR-IHRRRGAJSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2C[C@H]3CC[C@]3([NH3+])C2)C[C@@H](C)C1 ZINC001246852225 988570194 /nfs/dbraw/zinc/57/01/94/988570194.db2.gz ICDFBZXQVJUZAV-BJJPWKGXSA-N 2 1 222.376 2.234 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)C[C@@H]1C ZINC001246856425 988575814 /nfs/dbraw/zinc/57/58/14/988575814.db2.gz XCGMYMWJYUBWPS-IKOXMDCHSA-N 2 1 222.376 2.234 20 0 BEADMP Cc1ccc(C[C@H](C)[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001246858705 988591832 /nfs/dbraw/zinc/59/18/32/988591832.db2.gz HYAVMZRXHBILKG-IMJJTQAJSA-N 2 1 244.382 2.349 20 0 BEADMP [NH3+][C@]12CC[C@@H]1C[N@H+](C1CCC3(CC3)CC1)C2 ZINC001246859342 988592604 /nfs/dbraw/zinc/59/26/04/988592604.db2.gz JWNDMUDRULCZPO-RISCZKNCSA-N 2 1 220.360 2.132 20 0 BEADMP C1C[C@H]2C[N@H+](C3CCCCCC3)C[C@@H]1C[NH2+]2 ZINC001246862936 988607952 /nfs/dbraw/zinc/60/79/52/988607952.db2.gz FMXOJYHWEUSRMH-STQMWFEESA-N 2 1 222.376 2.393 20 0 BEADMP CC[C@H](CC(C)C)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC001246866133 988616985 /nfs/dbraw/zinc/61/69/85/988616985.db2.gz ZXTQXFAZDOEERL-CHWSQXEVSA-N 2 1 212.381 2.352 20 0 BEADMP CC1(C)CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)C1 ZINC001246869136 988628910 /nfs/dbraw/zinc/62/89/10/988628910.db2.gz UDPABTPUZJSKJE-AVGNSLFASA-N 2 1 222.376 2.249 20 0 BEADMP COc1cccc2c1C[N@@H+]([C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246870862 988636329 /nfs/dbraw/zinc/63/63/29/988636329.db2.gz LBAACNUYTCRATG-WCQYABFASA-N 2 1 246.354 2.151 20 0 BEADMP COc1cccc2c1C[N@H+]([C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246870862 988636334 /nfs/dbraw/zinc/63/63/34/988636334.db2.gz LBAACNUYTCRATG-WCQYABFASA-N 2 1 246.354 2.151 20 0 BEADMP CC[C@H](C)OCC[C@@H](C)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246906859 988679399 /nfs/dbraw/zinc/67/93/99/988679399.db2.gz BPAHRCAQOGYXJF-FRRDWIJNSA-N 2 1 228.380 2.003 20 0 BEADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246906859 988679402 /nfs/dbraw/zinc/67/94/02/988679402.db2.gz BPAHRCAQOGYXJF-FRRDWIJNSA-N 2 1 228.380 2.003 20 0 BEADMP CC1(C)[C@@H]2C[C@@H]([N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)C[C@@H]21 ZINC001246931027 988759735 /nfs/dbraw/zinc/75/97/35/988759735.db2.gz MMZMMYVFDCFOMQ-CUZDEVPKSA-N 2 1 248.414 2.352 20 0 BEADMP CCSC[C@@H](C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246939701 988769958 /nfs/dbraw/zinc/76/99/58/988769958.db2.gz GVLAVKIRLCSWFQ-UPJWGTAASA-N 2 1 242.432 2.059 20 0 BEADMP Cc1ccc2c(c1)CC[N@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246964133 988793366 /nfs/dbraw/zinc/79/33/66/988793366.db2.gz BQPNCDANRVMFON-CZUORRHYSA-N 2 1 244.382 2.494 20 0 BEADMP CC[C@H](N)C[N@@H+](C)[C@H](C)CCC[NH+](CC)CC ZINC001246974766 988806889 /nfs/dbraw/zinc/80/68/89/988806889.db2.gz QUIUSHAUDDJGIM-KGLIPLIRSA-N 2 1 243.439 2.166 20 0 BEADMP CC[C@H]([NH3+])CN(C)[C@H](C)CCC[NH+](CC)CC ZINC001246974766 988806899 /nfs/dbraw/zinc/80/68/99/988806899.db2.gz QUIUSHAUDDJGIM-KGLIPLIRSA-N 2 1 243.439 2.166 20 0 BEADMP CC(C)[N@@H+](C1CCOCC1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246985033 988816612 /nfs/dbraw/zinc/81/66/12/988816612.db2.gz ORVSEZFBDKAZBN-JSGCOSHPSA-N 2 1 240.391 2.016 20 0 BEADMP CCC[C@H](C)CC[C@@H](C)[N@@H+]1C[C@@H](OC)[C@@H](N)C1 ZINC001246982621 988816884 /nfs/dbraw/zinc/81/68/84/988816884.db2.gz GOKVLLCUOLYXOY-RFQIPJPRSA-N 2 1 242.407 2.249 20 0 BEADMP CCC[C@H](C)CC[C@@H](C)N1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982621 988816891 /nfs/dbraw/zinc/81/68/91/988816891.db2.gz GOKVLLCUOLYXOY-RFQIPJPRSA-N 2 1 242.407 2.249 20 0 BEADMP CSCC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247006533 988836777 /nfs/dbraw/zinc/83/67/77/988836777.db2.gz ADJQPBNDRHPMFW-XQQFMLRXSA-N 2 1 242.432 2.202 20 0 BEADMP CSCC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247006533 988836786 /nfs/dbraw/zinc/83/67/86/988836786.db2.gz ADJQPBNDRHPMFW-XQQFMLRXSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@H](Cc1ccco1)[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247015646 988839148 /nfs/dbraw/zinc/83/91/48/988839148.db2.gz PHKFDDPLWJJLBK-UMVBOHGHSA-N 2 1 248.370 2.285 20 0 BEADMP C[C@H](Cc1ccco1)[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247015646 988839157 /nfs/dbraw/zinc/83/91/57/988839157.db2.gz PHKFDDPLWJJLBK-UMVBOHGHSA-N 2 1 248.370 2.285 20 0 BEADMP C[C@H](Cc1ccco1)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247015645 988840146 /nfs/dbraw/zinc/84/01/46/988840146.db2.gz PHKFDDPLWJJLBK-NFAWXSAZSA-N 2 1 248.370 2.285 20 0 BEADMP C[C@H](Cc1ccco1)[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247015645 988840150 /nfs/dbraw/zinc/84/01/50/988840150.db2.gz PHKFDDPLWJJLBK-NFAWXSAZSA-N 2 1 248.370 2.285 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC001247016397 988845277 /nfs/dbraw/zinc/84/52/77/988845277.db2.gz USGLBMIEVVDJPB-YIYPIFLZSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC001247016397 988845288 /nfs/dbraw/zinc/84/52/88/988845288.db2.gz USGLBMIEVVDJPB-YIYPIFLZSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@]1(C)c1ccccc1 ZINC001119347952 988991189 /nfs/dbraw/zinc/99/11/89/988991189.db2.gz UAUSQICEFMZEQO-TZMCWYRMSA-N 2 1 218.344 2.345 20 0 BEADMP CC1(C)C[N@@H+](CCCn2ccnc2)C1(C)C ZINC001324903860 989015968 /nfs/dbraw/zinc/01/59/68/989015968.db2.gz FFVFEIPMNJUYTM-UHFFFAOYSA-N 2 1 221.348 2.394 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC001325743904 989250564 /nfs/dbraw/zinc/25/05/64/989250564.db2.gz REINDRZZGFOXKB-UWVGGRQHSA-N 2 1 241.766 2.384 20 0 BEADMP CCC(=O)CC[N@H+](C)[C@@H]1CCN(CC)C[C@@H]1C ZINC001326304738 989476086 /nfs/dbraw/zinc/47/60/86/989476086.db2.gz GJXZPDCBOJTADB-GXTWGEPZSA-N 2 1 240.391 2.018 20 0 BEADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2c2cc[nH+]cc2)C1 ZINC001120860872 989930439 /nfs/dbraw/zinc/93/04/39/989930439.db2.gz UVVNCXLHLGVRCM-JSGCOSHPSA-N 2 1 231.343 2.002 20 0 BEADMP Cc1cc(F)cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)[nH+]1 ZINC001120945562 989980426 /nfs/dbraw/zinc/98/04/26/989980426.db2.gz SQUGFTQOZNALKV-KLPPZKSPSA-N 2 1 237.322 2.281 20 0 BEADMP CC1(C[NH3+])C[NH+](Cc2ccccc2C2CC2)C1 ZINC001206722942 990866837 /nfs/dbraw/zinc/86/68/37/990866837.db2.gz IVBCTVAIPAAKEN-UHFFFAOYSA-N 2 1 230.355 2.345 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cccc(F)c3)[C@H]2C1 ZINC001308554303 991035539 /nfs/dbraw/zinc/03/55/39/991035539.db2.gz NVQJHFJYTGZLGU-QEJZJMRPSA-N 2 1 248.345 2.256 20 0 BEADMP CSCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[N@@H+](C1)[C@H]2C ZINC001258208665 991128021 /nfs/dbraw/zinc/12/80/21/991128021.db2.gz MSKQLJKZVMTVPV-RVMXOQNASA-N 2 1 242.432 2.200 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCCC(C)(C)C3)C[C@@H]2C1 ZINC001258290552 991227122 /nfs/dbraw/zinc/22/71/22/991227122.db2.gz UIOCHKNFJPYTQI-HZSPNIEDSA-N 2 1 236.403 2.449 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCCC(C)(C)C3)C[C@@H]2C1 ZINC001258290552 991227136 /nfs/dbraw/zinc/22/71/36/991227136.db2.gz UIOCHKNFJPYTQI-HZSPNIEDSA-N 2 1 236.403 2.449 20 0 BEADMP CC(C)SCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001308984344 991237223 /nfs/dbraw/zinc/23/72/23/991237223.db2.gz HGSBODJXOVUNOB-YNEHKIRRSA-N 2 1 242.432 2.058 20 0 BEADMP CCCCC[C@@H](CC)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001258428305 991357296 /nfs/dbraw/zinc/35/72/96/991357296.db2.gz MXIXMMIUZJNBGV-CHWSQXEVSA-N 2 1 228.380 2.005 20 0 BEADMP CCCCC[C@@H](CC)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001258428305 991357301 /nfs/dbraw/zinc/35/73/01/991357301.db2.gz MXIXMMIUZJNBGV-CHWSQXEVSA-N 2 1 228.380 2.005 20 0 BEADMP C[C@@H](CC1CC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001258449123 991396737 /nfs/dbraw/zinc/39/67/37/991396737.db2.gz VFAFQMCGAVQHBJ-DEQVHRJGSA-N 2 1 222.376 2.390 20 0 BEADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1CCC(C)(C)C1)C2 ZINC001258607581 991527747 /nfs/dbraw/zinc/52/77/47/991527747.db2.gz LYVJVFYTOJGFSM-VNHYZAJKSA-N 2 1 236.403 2.449 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)[C@@H](C)Cc1cccnc1 ZINC001258632241 991578975 /nfs/dbraw/zinc/57/89/75/991578975.db2.gz WZBRXNCNBNDSCF-AWEZNQCLSA-N 2 1 249.402 2.286 20 0 BEADMP CCC[C@@H](Cc1ccccc1)[NH2+]C1(C[NH3+])CC1 ZINC001258654322 991587193 /nfs/dbraw/zinc/58/71/93/991587193.db2.gz NAUBVHXYJNLKSE-AWEZNQCLSA-N 2 1 232.371 2.479 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C2(C[NH3+])CC2)CC(C)(C)C1 ZINC001258692981 991625169 /nfs/dbraw/zinc/62/51/69/991625169.db2.gz SMPUVVCZNSZPGC-QWRGUYRKSA-N 2 1 210.365 2.282 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)CCOC ZINC001258906831 991895183 /nfs/dbraw/zinc/89/51/83/991895183.db2.gz BANLLIDKBKHZSN-ZDUSSCGKSA-N 2 1 230.396 2.075 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001258909635 991900967 /nfs/dbraw/zinc/90/09/67/991900967.db2.gz HEHDZTGUXXBUNX-MELADBBJSA-N 2 1 224.392 2.449 20 0 BEADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccnc2)C1 ZINC001320548405 992245242 /nfs/dbraw/zinc/24/52/42/992245242.db2.gz SNIOBZLGIIARIA-ZIAGYGMSSA-N 2 1 247.386 2.464 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccnc2)C1 ZINC001320548405 992245255 /nfs/dbraw/zinc/24/52/55/992245255.db2.gz SNIOBZLGIIARIA-ZIAGYGMSSA-N 2 1 247.386 2.464 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001261370809 992278655 /nfs/dbraw/zinc/27/86/55/992278655.db2.gz VCIGDOPNIOYFCQ-QWRGUYRKSA-N 2 1 218.344 2.001 20 0 BEADMP C[C@H]([NH2+]C/C=C\C1CC1)c1c[nH+]ccc1N ZINC001261423668 992295810 /nfs/dbraw/zinc/29/58/10/992295810.db2.gz BDRQHLIIRFQXBX-ZMWSMAPVSA-N 2 1 217.316 2.111 20 0 BEADMP FC1(F)CC[C@H](CC[NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC001574227522 992823069 /nfs/dbraw/zinc/82/30/69/992823069.db2.gz URKVHTRVHUSNPY-GHMZBOCLSA-N 2 1 232.318 2.154 20 0 BEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc[nH]1 ZINC001262364341 992861108 /nfs/dbraw/zinc/86/11/08/992861108.db2.gz UBIBHJHQWPDLRW-WODVXLOZSA-N 2 1 233.359 2.291 20 0 BEADMP C1=C(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CCC1 ZINC001574773990 992901637 /nfs/dbraw/zinc/90/16/37/992901637.db2.gz IAOCXUKHLZBJFN-AWEZNQCLSA-N 2 1 220.360 2.172 20 0 BEADMP CC(C)(C[NH3+])C[N@H+]1CCSC2(CCC2)CC1 ZINC001575315722 993011118 /nfs/dbraw/zinc/01/11/18/993011118.db2.gz WSUQWPVMOGNSBT-UHFFFAOYSA-N 2 1 242.432 2.333 20 0 BEADMP CC(C)(C[NH3+])[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC001575318310 993012551 /nfs/dbraw/zinc/01/25/51/993012551.db2.gz ROCHSDZCFLAJQU-GFCCVEGCSA-N 2 1 240.391 2.195 20 0 BEADMP CC(C)[C@@H]1[N@@H+](CC2(C[NH3+])CCC2)CC1(C)C ZINC001575519980 993062996 /nfs/dbraw/zinc/06/29/96/993062996.db2.gz HSIOHSAZLWELKL-LBPRGKRZSA-N 2 1 224.392 2.482 20 0 BEADMP CC(C)C[C@@H]1CCC[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC001575549352 993070389 /nfs/dbraw/zinc/07/03/89/993070389.db2.gz GOHPWCSJTZPCHQ-ZNMIVQPWSA-N 2 1 236.403 2.354 20 0 BEADMP CC(C)[N@@H+](Cc1ccccn1)CC1(C[NH3+])CCC1 ZINC001575689219 993095722 /nfs/dbraw/zinc/09/57/22/993095722.db2.gz BLTQXEIXDZANRR-UHFFFAOYSA-N 2 1 247.386 2.421 20 0 BEADMP C[C@@](C[NH3+])([NH2+]CC12CCC(CC1)C2)C1CC1 ZINC001575975376 993145564 /nfs/dbraw/zinc/14/55/64/993145564.db2.gz LBNMDYQGCJMDFH-QRMWWUJWSA-N 2 1 222.376 2.284 20 0 BEADMP C[C@H](Cc1cccnc1)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC001576055885 993167988 /nfs/dbraw/zinc/16/79/88/993167988.db2.gz HUKGYOUKMYBSCK-UMVBOHGHSA-N 2 1 247.386 2.133 20 0 BEADMP C[C@@H]1CCC[C@@H]([N@H+]2CCC[C@H]([NH3+])CC2)C1 ZINC000378665198 993199420 /nfs/dbraw/zinc/19/94/20/993199420.db2.gz FQECACHFXDOELQ-FRRDWIJNSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@H]([NH3+])C[NH2+]Cc1ccccc1CC(F)(F)F ZINC001576160113 993200207 /nfs/dbraw/zinc/20/02/07/993200207.db2.gz XZNHUTJBFINNNY-VIFPVBQESA-N 2 1 246.276 2.228 20 0 BEADMP CCc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)nc1 ZINC000379298535 993238638 /nfs/dbraw/zinc/23/86/38/993238638.db2.gz YJSGNCCOSFVSQV-CQSZACIVSA-N 2 1 247.386 2.205 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000379928235 993297372 /nfs/dbraw/zinc/29/73/72/993297372.db2.gz TVMHHFDHKHFVSX-XJFOESAGSA-N 2 1 240.391 2.003 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](c3ccco3)C2)CC[NH2+]1 ZINC001576598829 993363981 /nfs/dbraw/zinc/36/39/81/993363981.db2.gz OMKDBGBLWYLWNI-MGPQQGTHSA-N 2 1 248.370 2.457 20 0 BEADMP C[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000381279194 993383830 /nfs/dbraw/zinc/38/38/30/993383830.db2.gz XRPATXIGFXMWOP-AEJSXWLSSA-N 2 1 238.297 2.257 20 0 BEADMP C[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000381279194 993383833 /nfs/dbraw/zinc/38/38/33/993383833.db2.gz XRPATXIGFXMWOP-AEJSXWLSSA-N 2 1 238.297 2.257 20 0 BEADMP C[C@H]1C[C@H]([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC000381877407 993430305 /nfs/dbraw/zinc/43/03/05/993430305.db2.gz NMNXCDDLJRNACS-IGQOVBAYSA-N 2 1 222.376 2.249 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000382302649 993447229 /nfs/dbraw/zinc/44/72/29/993447229.db2.gz NVFPKRRBQBNHPH-ZDUSSCGKSA-N 2 1 210.365 2.380 20 0 BEADMP Cc1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)[nH+]c1 ZINC000382434508 993459686 /nfs/dbraw/zinc/45/96/86/993459686.db2.gz UHBBORSQYMYUOP-WDEREUQCSA-N 2 1 205.305 2.072 20 0 BEADMP CC[C@H](C)[C@H](C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)OC ZINC001576970363 993475311 /nfs/dbraw/zinc/47/53/11/993475311.db2.gz ILVOTWPZHCWQKE-ZUWCUPBKSA-N 2 1 242.407 2.024 20 0 BEADMP C[C@H](Cc1ccc(F)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000383465398 993493054 /nfs/dbraw/zinc/49/30/54/993493054.db2.gz NTXQLGYJPFIGHS-JTNHKYCSSA-N 2 1 236.334 2.178 20 0 BEADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000383465398 993493057 /nfs/dbraw/zinc/49/30/57/993493057.db2.gz NTXQLGYJPFIGHS-JTNHKYCSSA-N 2 1 236.334 2.178 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc2occc2c1 ZINC001577124430 993513112 /nfs/dbraw/zinc/51/31/12/993513112.db2.gz AKXIXWYTSHOYGY-GFCCVEGCSA-N 2 1 218.300 2.260 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1cccc(Cl)c1C ZINC001577124749 993516432 /nfs/dbraw/zinc/51/64/32/993516432.db2.gz OLWHSWGFCDUXTL-NSHDSACASA-N 2 1 226.751 2.475 20 0 BEADMP CCC1CCC([N@@H+]2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000385140417 993650847 /nfs/dbraw/zinc/65/08/47/993650847.db2.gz MPVMVSTWOZODJW-IGJPJIBNSA-N 2 1 210.365 2.377 20 0 BEADMP CCC1CCC([N@H+]2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000385140417 993650850 /nfs/dbraw/zinc/65/08/50/993650850.db2.gz MPVMVSTWOZODJW-IGJPJIBNSA-N 2 1 210.365 2.377 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[NH2+]C[C@@H](C)C2)c1C ZINC000385170638 993651279 /nfs/dbraw/zinc/65/12/79/993651279.db2.gz FRFXGLKYLQOONW-GFCCVEGCSA-N 2 1 232.371 2.345 20 0 BEADMP Cc1ccc(C[N@H+]2CC[NH2+]C[C@H](C)C2)cc1C ZINC000385298682 993656568 /nfs/dbraw/zinc/65/65/68/993656568.db2.gz JYYDWAIOEYKOAH-LBPRGKRZSA-N 2 1 232.371 2.345 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[NH2+]C[C@H](C)C2)cc1C ZINC000385298682 993656573 /nfs/dbraw/zinc/65/65/73/993656573.db2.gz JYYDWAIOEYKOAH-LBPRGKRZSA-N 2 1 232.371 2.345 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CC[NH2+]C[C@@H](C)C2)c1 ZINC000385311773 993656813 /nfs/dbraw/zinc/65/68/13/993656813.db2.gz XDYIMLWBSJSHCU-CQSZACIVSA-N 2 1 232.371 2.345 20 0 BEADMP Cc1cc(C)cc(C[N@@H+]2CC[NH2+]C[C@@H](C)C2)c1 ZINC000385311773 993656818 /nfs/dbraw/zinc/65/68/18/993656818.db2.gz XDYIMLWBSJSHCU-CQSZACIVSA-N 2 1 232.371 2.345 20 0 BEADMP COc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1 ZINC000386498473 993687231 /nfs/dbraw/zinc/68/72/31/993687231.db2.gz YRHCEPSOMOTCAM-CQSZACIVSA-N 2 1 248.370 2.256 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000393181013 993909116 /nfs/dbraw/zinc/90/91/16/993909116.db2.gz BUHYVEYYJDCCCG-OAHLLOKOSA-N 2 1 232.371 2.432 20 0 BEADMP C[C@H]1C[C@@H]([N@H+]2CCCC(F)(F)CC2)CC[NH2+]1 ZINC000702795778 994051044 /nfs/dbraw/zinc/05/10/44/994051044.db2.gz CHWSYCCGNRHLSC-QWRGUYRKSA-N 2 1 232.318 2.248 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C2CC3(CCC3)C2)C[NH2+]1 ZINC000829314715 994572213 /nfs/dbraw/zinc/57/22/13/994572213.db2.gz USYYTIJIODJRAT-MNOVXSKESA-N 2 1 208.349 2.049 20 0 BEADMP Cc1cccnc1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC001308154479 995575099 /nfs/dbraw/zinc/57/50/99/995575099.db2.gz RVBOXCCFNOCZJP-GFCCVEGCSA-N 2 1 244.342 2.017 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CC=CCC1 ZINC001620805027 1170153292 /nfs/dbraw/zinc/15/32/92/1170153292.db2.gz GUKOADFAJLYPBL-ZDUSSCGKSA-N 2 1 231.343 2.346 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@H]3CCC34CCC4)[C@H]2C1 ZINC001621570237 1170855174 /nfs/dbraw/zinc/85/51/74/1170855174.db2.gz NZOXIQQEMNPGEH-XUXIUFHCSA-N 2 1 234.387 2.249 20 0 BEADMP C1CC[C@H]2CCC[N@@H+]([C@@H]3CCC[NH2+]C3)[C@@H]2C1 ZINC000036827152 1170917791 /nfs/dbraw/zinc/91/77/91/1170917791.db2.gz HBTGAYJPEGRVRI-BFHYXJOUSA-N 2 1 222.376 2.393 20 0 BEADMP C([C@@H]1CCC[NH2+]1)[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000036827220 1170918680 /nfs/dbraw/zinc/91/86/80/1170918680.db2.gz RYYKXPYZNYPFLF-MELADBBJSA-N 2 1 222.376 2.393 20 0 BEADMP C([C@@H]1CCC[NH2+]1)[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000036827221 1170919620 /nfs/dbraw/zinc/91/96/20/1170919620.db2.gz RYYKXPYZNYPFLF-IHRRRGAJSA-N 2 1 222.376 2.393 20 0 BEADMP c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043324540 1171280537 /nfs/dbraw/zinc/28/05/37/1171280537.db2.gz YYTDJBIYVKHKAK-CYBMUJFWSA-N 2 1 243.354 2.052 20 0 BEADMP COc1ccc(CC[C@H](C)[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000050228046 1171778555 /nfs/dbraw/zinc/77/85/55/1171778555.db2.gz PXWRKOAPKOUWHX-JSGCOSHPSA-N 2 1 248.370 2.049 20 0 BEADMP COc1ccc(CC[C@H](C)[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000050228046 1171778564 /nfs/dbraw/zinc/77/85/64/1171778564.db2.gz PXWRKOAPKOUWHX-JSGCOSHPSA-N 2 1 248.370 2.049 20 0 BEADMP CC[C@H]1CO[C@H](C)C[N@H+]1CC(CC)(CC)C[NH3+] ZINC000051257654 1171887816 /nfs/dbraw/zinc/88/78/16/1171887816.db2.gz SJPFQSAYWLHHBV-OLZOCXBDSA-N 2 1 242.407 2.251 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000051732102 1171912651 /nfs/dbraw/zinc/91/26/51/1171912651.db2.gz BFYJIJXBFFTRQB-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP CCC(CC)(CCO)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000338369531 168319909 /nfs/dbraw/zinc/31/99/09/168319909.db2.gz TUVHTVFRDFZDNH-CYBMUJFWSA-N 2 1 242.407 2.002 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CCC1 ZINC000322377797 343977779 /nfs/dbraw/zinc/97/77/79/343977779.db2.gz KZXFWZWUQQDDDX-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP C(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)CC1CC1 ZINC000161703496 538917548 /nfs/dbraw/zinc/91/75/48/538917548.db2.gz PFODZOTXPQGLFC-KBPBESRZSA-N 2 1 222.376 2.393 20 0 BEADMP CC(C)=CC[N@H+](C)CCC[NH+]1CCCC1 ZINC000337274696 187323919 /nfs/dbraw/zinc/32/39/19/187323919.db2.gz PXLMRGTVKRGGDK-UHFFFAOYSA-N 2 1 210.365 2.370 20 0 BEADMP CC(C)=CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337274696 187323920 /nfs/dbraw/zinc/32/39/20/187323920.db2.gz PXLMRGTVKRGGDK-UHFFFAOYSA-N 2 1 210.365 2.370 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1F ZINC000227053999 178002679 /nfs/dbraw/zinc/00/26/79/178002679.db2.gz KRIKQQXKAZOIGR-FZMZJTMJSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1F ZINC000227053999 178002682 /nfs/dbraw/zinc/00/26/82/178002682.db2.gz KRIKQQXKAZOIGR-FZMZJTMJSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc(C)cn1 ZINC000649903039 398177090 /nfs/dbraw/zinc/17/70/90/398177090.db2.gz NJPIBGYTGDIQNO-UHFFFAOYSA-N 2 1 244.342 2.027 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc(C)cn1 ZINC000649903039 398177094 /nfs/dbraw/zinc/17/70/94/398177094.db2.gz NJPIBGYTGDIQNO-UHFFFAOYSA-N 2 1 244.342 2.027 20 0 BEADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)CC1CC1 ZINC000161840370 349511674 /nfs/dbraw/zinc/51/16/74/349511674.db2.gz XMMZLKPHQIELNE-ZDUSSCGKSA-N 2 1 210.365 2.203 20 0 BEADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)CC1CC1 ZINC000161840370 349511676 /nfs/dbraw/zinc/51/16/76/349511676.db2.gz XMMZLKPHQIELNE-ZDUSSCGKSA-N 2 1 210.365 2.203 20 0 BEADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)CC1CC1 ZINC000161840370 349511678 /nfs/dbraw/zinc/51/16/78/349511678.db2.gz XMMZLKPHQIELNE-ZDUSSCGKSA-N 2 1 210.365 2.203 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@]2(CC2(F)F)C1 ZINC000649907376 398180749 /nfs/dbraw/zinc/18/07/49/398180749.db2.gz PZEXGHWIESUXNB-NWDGAFQWSA-N 2 1 244.329 2.202 20 0 BEADMP CC[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccncc1 ZINC000423327146 398166424 /nfs/dbraw/zinc/16/64/24/398166424.db2.gz LFFJPBLMUJMCFQ-GFCCVEGCSA-N 2 1 219.332 2.004 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000252111298 398185536 /nfs/dbraw/zinc/18/55/36/398185536.db2.gz HUHIKYFQIDCGHS-AGIUHOORSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1cc(F)ccc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000135464865 178084198 /nfs/dbraw/zinc/08/41/98/178084198.db2.gz NQTUAOISMFEJMY-UHFFFAOYSA-N 2 1 236.334 2.318 20 0 BEADMP CCCN(c1cc[nH+]cc1Cl)[C@H]1CC[NH2+]C1 ZINC000086839909 398192012 /nfs/dbraw/zinc/19/20/12/398192012.db2.gz GIKRDSVYNRXROK-JTQLQIEISA-N 2 1 239.750 2.313 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCCN(c2cc[nH+]cc2Cl)C1 ZINC000086840020 398192279 /nfs/dbraw/zinc/19/22/79/398192279.db2.gz TWGIRNPLCNUOQN-UWVGGRQHSA-N 2 1 239.750 2.299 20 0 BEADMP Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc[nH+]1 ZINC000286446882 178097021 /nfs/dbraw/zinc/09/70/21/178097021.db2.gz RRNNOPXHRLWHSD-NNQSOWQGSA-N 2 1 245.370 2.451 20 0 BEADMP C[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)[C@H]1C ZINC000380602297 398202242 /nfs/dbraw/zinc/20/22/42/398202242.db2.gz HJGSJNOUCVGFNQ-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)[C@H]2CCCC[C@H]12 ZINC000647880342 398223088 /nfs/dbraw/zinc/22/30/88/398223088.db2.gz JSMBQFLJUPNZAR-TUVASFSCSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1cc(N[C@@H]2CC[NH2+]C3(CCC3)C2)nc(C)[nH+]1 ZINC000037756872 178183518 /nfs/dbraw/zinc/18/35/18/178183518.db2.gz UPTBBZTZXXMGDR-GFCCVEGCSA-N 2 1 246.358 2.180 20 0 BEADMP CCC(CC)C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000374903465 168351717 /nfs/dbraw/zinc/35/17/17/168351717.db2.gz PYRFQYSTDMXABJ-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000374903465 168351719 /nfs/dbraw/zinc/35/17/19/168351719.db2.gz PYRFQYSTDMXABJ-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP CCC(CC)C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000374903465 168351721 /nfs/dbraw/zinc/35/17/21/168351721.db2.gz PYRFQYSTDMXABJ-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP CCC(CC)C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000374903465 168351723 /nfs/dbraw/zinc/35/17/23/168351723.db2.gz PYRFQYSTDMXABJ-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP CCC(CC)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000336673805 168354777 /nfs/dbraw/zinc/35/47/77/168354777.db2.gz GUGATNDWGMWRTQ-YNEHKIRRSA-N 2 1 210.365 2.092 20 0 BEADMP CC[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCS1 ZINC000133091492 398230702 /nfs/dbraw/zinc/23/07/02/398230702.db2.gz BFBVNEIQXHMTOT-ZDUSSCGKSA-N 2 1 242.432 2.204 20 0 BEADMP Cc1cccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000280191509 538937136 /nfs/dbraw/zinc/93/71/36/538937136.db2.gz SGBNTLVGKBTOLG-HIFRSBDPSA-N 2 1 247.386 2.005 20 0 BEADMP CC(C)[N@@H+](C[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000381557408 398262481 /nfs/dbraw/zinc/26/24/81/398262481.db2.gz PQUNDEAOHVCBCY-LBPRGKRZSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000378738795 346819890 /nfs/dbraw/zinc/81/98/90/346819890.db2.gz GWPMVDISSALGBP-NJMOYASZSA-N 2 1 228.355 2.195 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000378738795 346819894 /nfs/dbraw/zinc/81/98/94/346819894.db2.gz GWPMVDISSALGBP-NJMOYASZSA-N 2 1 228.355 2.195 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C1CCC1 ZINC000162043608 349556373 /nfs/dbraw/zinc/55/63/73/349556373.db2.gz ISSSCUZPQGQRIY-UHFFFAOYSA-N 2 1 221.348 2.456 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@H+](C)C1CCC1 ZINC000162043608 349556376 /nfs/dbraw/zinc/55/63/76/349556376.db2.gz ISSSCUZPQGQRIY-UHFFFAOYSA-N 2 1 221.348 2.456 20 0 BEADMP C[N@H+](C[C@H]1CCCCC1(F)F)[C@H](C[NH3+])C1CC1 ZINC000381587530 398265425 /nfs/dbraw/zinc/26/54/25/398265425.db2.gz CWVOJYOMJVZYOA-VXGBXAGGSA-N 2 1 246.345 2.481 20 0 BEADMP C[N@@H+](C[C@H]1CCCCC1(F)F)[C@H](C[NH3+])C1CC1 ZINC000381587530 398265427 /nfs/dbraw/zinc/26/54/27/398265427.db2.gz CWVOJYOMJVZYOA-VXGBXAGGSA-N 2 1 246.345 2.481 20 0 BEADMP C[N@H+](C[C@@H]1CCCCC1(F)F)[C@H](C[NH3+])C1CC1 ZINC000381587528 398265444 /nfs/dbraw/zinc/26/54/44/398265444.db2.gz CWVOJYOMJVZYOA-NWDGAFQWSA-N 2 1 246.345 2.481 20 0 BEADMP C[N@@H+](C[C@@H]1CCCCC1(F)F)[C@H](C[NH3+])C1CC1 ZINC000381587528 398265447 /nfs/dbraw/zinc/26/54/47/398265447.db2.gz CWVOJYOMJVZYOA-NWDGAFQWSA-N 2 1 246.345 2.481 20 0 BEADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CCS1 ZINC000162099222 349564705 /nfs/dbraw/zinc/56/47/05/349564705.db2.gz WGUJUCNFUCPKTN-QWHCGFSZSA-N 2 1 242.432 2.298 20 0 BEADMP CC[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CCS1 ZINC000162099222 349564708 /nfs/dbraw/zinc/56/47/08/349564708.db2.gz WGUJUCNFUCPKTN-QWHCGFSZSA-N 2 1 242.432 2.298 20 0 BEADMP CC[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CCS1 ZINC000162099222 349564713 /nfs/dbraw/zinc/56/47/13/349564713.db2.gz WGUJUCNFUCPKTN-QWHCGFSZSA-N 2 1 242.432 2.298 20 0 BEADMP CC(C)[C@H](C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251282455 398268551 /nfs/dbraw/zinc/26/85/51/398268551.db2.gz DPVZYFJCQRJZFN-RDBSUJKOSA-N 2 1 224.392 2.495 20 0 BEADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1c[nH]nc1C ZINC000179954838 538956767 /nfs/dbraw/zinc/95/67/67/538956767.db2.gz KOWQQGKGZYTYHH-LLVKDONJSA-N 2 1 238.379 2.101 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@@H]2Cc3ccccc32)CC1 ZINC000037565248 538963343 /nfs/dbraw/zinc/96/33/43/538963343.db2.gz SOMDFZWHZGSVJX-ZDUSSCGKSA-N 2 1 230.355 2.010 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCC(C)C)C1 ZINC000165428657 361841094 /nfs/dbraw/zinc/84/10/94/361841094.db2.gz QGKRRZMQHPDMKR-CYBMUJFWSA-N 2 1 212.381 2.354 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1C ZINC000165715490 361844142 /nfs/dbraw/zinc/84/41/42/361844142.db2.gz CERARHALVOMXKN-QWHCGFSZSA-N 2 1 212.381 2.495 20 0 BEADMP CCC(CC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140984 168386677 /nfs/dbraw/zinc/38/66/77/168386677.db2.gz XIBCYIIKTUXRIH-UHFFFAOYSA-N 2 1 210.365 2.391 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000162252238 349621445 /nfs/dbraw/zinc/62/14/45/349621445.db2.gz GTVWDZDQMYCWBA-XQQFMLRXSA-N 2 1 210.365 2.344 20 0 BEADMP C[C@@H]1CC[C@H](C)[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000162252238 349621447 /nfs/dbraw/zinc/62/14/47/349621447.db2.gz GTVWDZDQMYCWBA-XQQFMLRXSA-N 2 1 210.365 2.344 20 0 BEADMP C[C@@H]1CC[C@H](C)[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000162252238 349621451 /nfs/dbraw/zinc/62/14/51/349621451.db2.gz GTVWDZDQMYCWBA-XQQFMLRXSA-N 2 1 210.365 2.344 20 0 BEADMP Cc1cc(N(C)CC2([NH+](C)C)CCC2)nc(C)[nH+]1 ZINC000188517043 538979491 /nfs/dbraw/zinc/97/94/91/538979491.db2.gz FLINEIROWJMXCP-UHFFFAOYSA-N 2 1 248.374 2.014 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+]C(C1CC1)C1CC1 ZINC000045690738 538993133 /nfs/dbraw/zinc/99/31/33/538993133.db2.gz IRXJADJRKDAFFQ-LLVKDONJSA-N 2 1 224.392 2.495 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CCC(F)(F)C2)CC1 ZINC000381655640 539005901 /nfs/dbraw/zinc/00/59/01/539005901.db2.gz SWYGQQRGFIHJCP-LLVKDONJSA-N 2 1 232.318 2.248 20 0 BEADMP CC1(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000562364347 323017829 /nfs/dbraw/zinc/01/78/29/323017829.db2.gz SQKFYFVGYDEUSL-CYBMUJFWSA-N 2 1 222.376 2.204 20 0 BEADMP CC(C)([NH3+])C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000336478538 398319645 /nfs/dbraw/zinc/31/96/45/398319645.db2.gz AEOOUULUZWFECL-UHFFFAOYSA-N 2 1 248.370 2.309 20 0 BEADMP CC1(C[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000232896468 342887134 /nfs/dbraw/zinc/88/71/34/342887134.db2.gz JXNTZRAGLKJADE-NSHDSACASA-N 2 1 210.365 2.154 20 0 BEADMP CC1(C[NH2+]C[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000232914225 342892096 /nfs/dbraw/zinc/89/20/96/342892096.db2.gz JXNTZRAGLKJADE-LLVKDONJSA-N 2 1 210.365 2.154 20 0 BEADMP [NH3+]CCC[N@@H+](CC1CCCC1)CC1(F)CC1 ZINC000564970580 398332914 /nfs/dbraw/zinc/33/29/14/398332914.db2.gz LQSPKVIYPKETOY-UHFFFAOYSA-N 2 1 228.355 2.330 20 0 BEADMP CCC[C@H](C)[NH2+]CC[N@H+](C)[C@@H](C)CC ZINC000053377507 346888072 /nfs/dbraw/zinc/88/80/72/346888072.db2.gz ZMRGFQRRUUOHKN-RYUDHWBXSA-N 2 1 200.370 2.495 20 0 BEADMP CCC[C@H](C)[NH2+]CC[N@@H+](C)[C@@H](C)CC ZINC000053377507 346888074 /nfs/dbraw/zinc/88/80/74/346888074.db2.gz ZMRGFQRRUUOHKN-RYUDHWBXSA-N 2 1 200.370 2.495 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC[C@@H](C)F ZINC000351758814 136252390 /nfs/dbraw/zinc/25/23/90/136252390.db2.gz RAXDKFQSUHNIFF-LLVKDONJSA-N 2 1 227.327 2.262 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)CC[C@@H](C)F ZINC000351758814 136252391 /nfs/dbraw/zinc/25/23/91/136252391.db2.gz RAXDKFQSUHNIFF-LLVKDONJSA-N 2 1 227.327 2.262 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H](c1ccccc1)C1CC1 ZINC000235459772 259333139 /nfs/dbraw/zinc/33/31/39/259333139.db2.gz VRBYNXFJJCLYPK-ZWNOBZJWSA-N 2 1 204.317 2.075 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000516926586 259334300 /nfs/dbraw/zinc/33/43/00/259334300.db2.gz HQMSDSSWVXQXIP-XQHKEYJVSA-N 2 1 228.355 2.197 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000516926586 259334301 /nfs/dbraw/zinc/33/43/01/259334301.db2.gz HQMSDSSWVXQXIP-XQHKEYJVSA-N 2 1 228.355 2.197 20 0 BEADMP CCc1cc(NCC[N@H+](C)CC)cc[nH+]1 ZINC000307767299 529555228 /nfs/dbraw/zinc/55/52/28/529555228.db2.gz HKOHZIZFWVBALW-UHFFFAOYSA-N 2 1 207.321 2.008 20 0 BEADMP CC1(C)CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336683719 346910942 /nfs/dbraw/zinc/91/09/42/346910942.db2.gz ZIJBGEABSBEWRO-XQQFMLRXSA-N 2 1 222.376 2.391 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(O)cc2)C1 ZINC000236785582 346917013 /nfs/dbraw/zinc/91/70/13/346917013.db2.gz DRLJPKKIVWTRLW-AWEZNQCLSA-N 2 1 248.370 2.214 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(O)cc2)C1 ZINC000236787898 346918601 /nfs/dbraw/zinc/91/86/01/346918601.db2.gz DRLJPKKIVWTRLW-CQSZACIVSA-N 2 1 248.370 2.214 20 0 BEADMP C[N@@H+](CC1(C)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000309508652 259343319 /nfs/dbraw/zinc/34/33/19/259343319.db2.gz OFBSHMHADNFZJO-FOSCPWQOSA-N 2 1 208.349 2.001 20 0 BEADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)C(C)C ZINC000038098149 343063171 /nfs/dbraw/zinc/06/31/71/343063171.db2.gz RTFNHGYKRMHOQX-ZDUSSCGKSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000038098013 343063946 /nfs/dbraw/zinc/06/39/46/343063946.db2.gz JCJGIRBUXZFRFE-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H]([NH2+]CCc1ccsc1)[C@@H]1CCCC[NH2+]1 ZINC000386540226 343070737 /nfs/dbraw/zinc/07/07/37/343070737.db2.gz DAIIILLHDMGJCD-AAEUAGOBSA-N 2 1 238.400 2.411 20 0 BEADMP Cc1cccc(OCC[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000218482052 136270274 /nfs/dbraw/zinc/27/02/74/136270274.db2.gz VMLPKQNOTQOUAZ-ZFWWWQNUSA-N 2 1 248.370 2.043 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000271294734 187237061 /nfs/dbraw/zinc/23/70/61/187237061.db2.gz FJLLYTAUBNAADH-JTQLQIEISA-N 2 1 248.305 2.076 20 0 BEADMP CCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000131530992 343183776 /nfs/dbraw/zinc/18/37/76/343183776.db2.gz LDDBVEJWLULUKB-GXTWGEPZSA-N 2 1 248.370 2.397 20 0 BEADMP Cc1cccc(C)c1C[NH2+]CCc1c[nH+]cn1C ZINC000401787507 343241339 /nfs/dbraw/zinc/24/13/39/343241339.db2.gz AJLJJUQZFNDUEW-UHFFFAOYSA-N 2 1 243.354 2.369 20 0 BEADMP C[C@@H]1CC[C@H](C[NH2+][C@@H](C[NH3+])C2CCCCC2)O1 ZINC000634688336 343247099 /nfs/dbraw/zinc/24/70/99/343247099.db2.gz PLEUPHKZEWHZOL-BNOWGMLFSA-N 2 1 240.391 2.051 20 0 BEADMP CCC(CC)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069723838 343290139 /nfs/dbraw/zinc/29/01/39/343290139.db2.gz FFNYQSKCUKJQAA-CYBMUJFWSA-N 2 1 212.381 2.483 20 0 BEADMP C[N@@H+](CCc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000088242803 136285776 /nfs/dbraw/zinc/28/57/76/136285776.db2.gz QKADHFKWNIFCPS-OAHLLOKOSA-N 2 1 232.371 2.161 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCOc1ccccc1 ZINC000052092375 343300518 /nfs/dbraw/zinc/30/05/18/343300518.db2.gz PNKMOBPFELNHOS-ZIAGYGMSSA-N 2 1 248.370 2.267 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000166224867 136313585 /nfs/dbraw/zinc/31/35/85/136313585.db2.gz CYYCZCKLPMETPY-DGCLKSJQSA-N 2 1 210.365 2.236 20 0 BEADMP C1CC1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000073653365 187260985 /nfs/dbraw/zinc/26/09/85/187260985.db2.gz XDDRKHXOJYRCSU-UHFFFAOYSA-N 2 1 208.349 2.099 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000349408372 136344503 /nfs/dbraw/zinc/34/45/03/136344503.db2.gz PUZSUGRTCSQHDQ-AAEUAGOBSA-N 2 1 221.348 2.169 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000349408372 136344504 /nfs/dbraw/zinc/34/45/04/136344504.db2.gz PUZSUGRTCSQHDQ-AAEUAGOBSA-N 2 1 221.348 2.169 20 0 BEADMP CC[C@@H]1CCC[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000394501529 259360483 /nfs/dbraw/zinc/36/04/83/259360483.db2.gz BHVMEHSVEQMXNE-BARDWOONSA-N 2 1 236.403 2.354 20 0 BEADMP CC[C@@H](F)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000335703329 136334771 /nfs/dbraw/zinc/33/47/71/136334771.db2.gz PKQNPWYJOSQWBM-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP CC[C@@H](F)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000335703329 136334772 /nfs/dbraw/zinc/33/47/72/136334772.db2.gz PKQNPWYJOSQWBM-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP CC[C@@H](F)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000335703329 136334773 /nfs/dbraw/zinc/33/47/73/136334773.db2.gz PKQNPWYJOSQWBM-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP CC[C@@H](F)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000335703329 136334774 /nfs/dbraw/zinc/33/47/74/136334774.db2.gz PKQNPWYJOSQWBM-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP CC[N@H+](CC[NH2+]CCC(C)C)C(C)C ZINC000053376308 1172027664 /nfs/dbraw/zinc/02/76/64/1172027664.db2.gz TUEYRNHUAQVSJE-UHFFFAOYSA-N 2 1 200.370 2.352 20 0 BEADMP CC[N@@H+](CC[NH2+]CCC(C)C)C(C)C ZINC000053376308 1172027670 /nfs/dbraw/zinc/02/76/70/1172027670.db2.gz TUEYRNHUAQVSJE-UHFFFAOYSA-N 2 1 200.370 2.352 20 0 BEADMP CC1=C[C@@H](C)C[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000335891855 136358670 /nfs/dbraw/zinc/35/86/70/136358670.db2.gz AYVKIMNBQWTOCX-OCCSQVGLSA-N 2 1 222.376 2.369 20 0 BEADMP CC1=C[C@@H](C)C[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000335891855 136358671 /nfs/dbraw/zinc/35/86/71/136358671.db2.gz AYVKIMNBQWTOCX-OCCSQVGLSA-N 2 1 222.376 2.369 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccn(C)c2)[C@@H](C)C1 ZINC000271211008 136375104 /nfs/dbraw/zinc/37/51/04/136375104.db2.gz UMMAGAUKJDAYPU-DZGCQCFKSA-N 2 1 249.402 2.187 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccn(C)c2)[C@@H](C)C1 ZINC000271211008 136375105 /nfs/dbraw/zinc/37/51/05/136375105.db2.gz UMMAGAUKJDAYPU-DZGCQCFKSA-N 2 1 249.402 2.187 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccn(C)c2)[C@@H](C)C1 ZINC000271211008 136375106 /nfs/dbraw/zinc/37/51/06/136375106.db2.gz UMMAGAUKJDAYPU-DZGCQCFKSA-N 2 1 249.402 2.187 20 0 BEADMP Clc1c[nH+]ccc1NCC[C@H]1CCC[NH2+]1 ZINC000159296514 349811136 /nfs/dbraw/zinc/81/11/36/349811136.db2.gz DJUIASBGJSBREA-SECBINFHSA-N 2 1 225.723 2.289 20 0 BEADMP [NH3+]C[C@H]([NH2+]C1CCCCC1)C1CCCC1 ZINC000083760028 343497947 /nfs/dbraw/zinc/49/79/47/343497947.db2.gz APSWVLHYGJHMEE-ZDUSSCGKSA-N 2 1 210.365 2.426 20 0 BEADMP C[C@@]1(C[NH3+])CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000310413513 343486777 /nfs/dbraw/zinc/48/67/77/343486777.db2.gz XITDHPRILIATHH-KKTNHOPESA-N 2 1 230.355 2.371 20 0 BEADMP [NH3+]CC[C@H]1CCC[N@@H+](CCC2CCC2)C1 ZINC000398616630 488220805 /nfs/dbraw/zinc/22/08/05/488220805.db2.gz CMJNRKNETAWLMU-CYBMUJFWSA-N 2 1 210.365 2.237 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1C ZINC000011888397 343771988 /nfs/dbraw/zinc/77/19/88/343771988.db2.gz REGJVJJCHLELIF-OAHLLOKOSA-N 2 1 232.371 2.474 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348080111 537811420 /nfs/dbraw/zinc/81/14/20/537811420.db2.gz GRYAQURJFZSXFT-ZIAGYGMSSA-N 2 1 233.359 2.360 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348080109 537811500 /nfs/dbraw/zinc/81/15/00/537811500.db2.gz GRYAQURJFZSXFT-KGLIPLIRSA-N 2 1 233.359 2.360 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000625450603 343777849 /nfs/dbraw/zinc/77/78/49/343777849.db2.gz QNIJEONGNVVCGL-RDBSUJKOSA-N 2 1 222.376 2.060 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000336678193 537821865 /nfs/dbraw/zinc/82/18/65/537821865.db2.gz CGYLRNPJLZDDEU-KBPBESRZSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000336678193 537821874 /nfs/dbraw/zinc/82/18/74/537821874.db2.gz CGYLRNPJLZDDEU-KBPBESRZSA-N 2 1 224.392 2.497 20 0 BEADMP Fc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000031994592 343886763 /nfs/dbraw/zinc/88/67/63/343886763.db2.gz UHRPYGHCJNRVND-AWEZNQCLSA-N 2 1 234.318 2.011 20 0 BEADMP Fc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000031994592 343886764 /nfs/dbraw/zinc/88/67/64/343886764.db2.gz UHRPYGHCJNRVND-AWEZNQCLSA-N 2 1 234.318 2.011 20 0 BEADMP CCSCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000159072718 347009275 /nfs/dbraw/zinc/00/92/75/347009275.db2.gz IVAVKVLVWCGJDV-STQMWFEESA-N 2 1 242.432 2.204 20 0 BEADMP CCC[N@@H+](Cc1ccnc(C)c1)C1CC[NH2+]CC1 ZINC000621775047 343898176 /nfs/dbraw/zinc/89/81/76/343898176.db2.gz DVQAVXKAQWQVMS-UHFFFAOYSA-N 2 1 247.386 2.354 20 0 BEADMP CC(C)=CCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621784630 343907843 /nfs/dbraw/zinc/90/78/43/343907843.db2.gz RSKAIWMUROVPGF-OLZOCXBDSA-N 2 1 208.349 2.156 20 0 BEADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cncs2)C1 ZINC000634732718 344106677 /nfs/dbraw/zinc/10/66/77/344106677.db2.gz MZUYHXPNSMZVTI-JTQLQIEISA-N 2 1 239.388 2.011 20 0 BEADMP CCC[C@H](C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1)OC ZINC000395209470 362348460 /nfs/dbraw/zinc/34/84/60/362348460.db2.gz UYAVHCMSMASGMU-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[C@H](C)C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299892985 344117528 /nfs/dbraw/zinc/11/75/28/344117528.db2.gz GGRRLAQFAOEXBC-RWMBFGLXSA-N 2 1 210.365 2.106 20 0 BEADMP CCC[C@H](C)C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299892985 344117529 /nfs/dbraw/zinc/11/75/29/344117529.db2.gz GGRRLAQFAOEXBC-RWMBFGLXSA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000336751298 537841814 /nfs/dbraw/zinc/84/18/14/537841814.db2.gz CHQVVAYINSLLQK-BNOWGMLFSA-N 2 1 222.376 2.106 20 0 BEADMP CC(C)CCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622003957 344181286 /nfs/dbraw/zinc/18/12/86/344181286.db2.gz IGJPUIZTOJRVPK-CHWSQXEVSA-N 2 1 210.365 2.236 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000336751302 537841335 /nfs/dbraw/zinc/84/13/35/537841335.db2.gz CHQVVAYINSLLQK-XBFCOCLRSA-N 2 1 222.376 2.106 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000336751300 537841482 /nfs/dbraw/zinc/84/14/82/537841482.db2.gz CHQVVAYINSLLQK-MRVWCRGKSA-N 2 1 222.376 2.106 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC1CCCC1 ZINC000133307456 344317838 /nfs/dbraw/zinc/31/78/38/344317838.db2.gz KJKONOVXQWRLKX-CYBMUJFWSA-N 2 1 212.381 2.482 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000385158299 344356232 /nfs/dbraw/zinc/35/62/32/344356232.db2.gz AOPMBXAGYPSDHQ-TZMCWYRMSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000385158299 344356234 /nfs/dbraw/zinc/35/62/34/344356234.db2.gz AOPMBXAGYPSDHQ-TZMCWYRMSA-N 2 1 218.344 2.225 20 0 BEADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCCc1ccccc1 ZINC000385167456 344357335 /nfs/dbraw/zinc/35/73/35/344357335.db2.gz DRHPSNXCCFRFPR-JSGCOSHPSA-N 2 1 218.344 2.041 20 0 BEADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCCc1ccccc1 ZINC000385167456 344357337 /nfs/dbraw/zinc/35/73/37/344357337.db2.gz DRHPSNXCCFRFPR-JSGCOSHPSA-N 2 1 218.344 2.041 20 0 BEADMP CCC1CC([NH2+][C@@H](C)C[NH+](CC)CC)C1 ZINC000336759622 537844816 /nfs/dbraw/zinc/84/48/16/537844816.db2.gz KWKNTTHGISBFNJ-HIFPTAJRSA-N 2 1 212.381 2.495 20 0 BEADMP C[N@H+](CC1(F)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000584284110 344417274 /nfs/dbraw/zinc/41/72/74/344417274.db2.gz SPBGFFQBPDJIDA-FOSCPWQOSA-N 2 1 226.339 2.046 20 0 BEADMP C[N@@H+](CC1(F)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000584284110 344417277 /nfs/dbraw/zinc/41/72/77/344417277.db2.gz SPBGFFQBPDJIDA-FOSCPWQOSA-N 2 1 226.339 2.046 20 0 BEADMP C[NH+](CC1(F)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000584284110 344417278 /nfs/dbraw/zinc/41/72/78/344417278.db2.gz SPBGFFQBPDJIDA-FOSCPWQOSA-N 2 1 226.339 2.046 20 0 BEADMP C[NH+](CC1(F)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000584284110 344417281 /nfs/dbraw/zinc/41/72/81/344417281.db2.gz SPBGFFQBPDJIDA-FOSCPWQOSA-N 2 1 226.339 2.046 20 0 BEADMP CC(C)[N@@H+](CCC[NH3+])Cc1cccs1 ZINC000042517639 344456511 /nfs/dbraw/zinc/45/65/11/344456511.db2.gz FQSOKNXYJHXKRN-UHFFFAOYSA-N 2 1 212.362 2.307 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH2+]CC1(C)CC1 ZINC000381387600 344500832 /nfs/dbraw/zinc/50/08/32/344500832.db2.gz NDDZRUAONACAEC-UHFFFAOYSA-N 2 1 221.348 2.361 20 0 BEADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CC[NH3+] ZINC000037712912 344572696 /nfs/dbraw/zinc/57/26/96/344572696.db2.gz QXYABGROGDXNET-LBPRGKRZSA-N 2 1 220.360 2.291 20 0 BEADMP CCOCCC[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076003217 344790461 /nfs/dbraw/zinc/79/04/61/344790461.db2.gz YALRRALSVALMAG-CQSZACIVSA-N 2 1 242.407 2.077 20 0 BEADMP CCC[N@@H+](C[C@@H](C)CC)C1CC[NH2+]CC1 ZINC000050427174 344820383 /nfs/dbraw/zinc/82/03/83/344820383.db2.gz HGIRIKHICIPJQN-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP Cc1ncc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000628157293 344851967 /nfs/dbraw/zinc/85/19/67/344851967.db2.gz CCFPWFQAVQGMFH-UHFFFAOYSA-N 2 1 246.314 2.086 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@]2(C)CCCS2)C1 ZINC000628174022 344894976 /nfs/dbraw/zinc/89/49/76/344894976.db2.gz UJQKNQIQNIRSLT-STQMWFEESA-N 2 1 242.432 2.156 20 0 BEADMP CO[C@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000234796383 537875474 /nfs/dbraw/zinc/87/54/74/537875474.db2.gz YZCYVKTWFCDCSX-KBPBESRZSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@H](C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)C(C)(C)C ZINC000304311232 537880432 /nfs/dbraw/zinc/88/04/32/537880432.db2.gz QMSCXPASFUPQKU-FRRDWIJNSA-N 2 1 224.392 2.352 20 0 BEADMP COCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153792538 344974387 /nfs/dbraw/zinc/97/43/87/344974387.db2.gz FEYZMMBUFRSHCH-QWHCGFSZSA-N 2 1 240.391 2.018 20 0 BEADMP COCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000153792538 344974391 /nfs/dbraw/zinc/97/43/91/344974391.db2.gz FEYZMMBUFRSHCH-QWHCGFSZSA-N 2 1 240.391 2.018 20 0 BEADMP COCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153792753 344974880 /nfs/dbraw/zinc/97/48/80/344974880.db2.gz FEYZMMBUFRSHCH-STQMWFEESA-N 2 1 240.391 2.018 20 0 BEADMP COCC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000153792753 344974883 /nfs/dbraw/zinc/97/48/83/344974883.db2.gz FEYZMMBUFRSHCH-STQMWFEESA-N 2 1 240.391 2.018 20 0 BEADMP C[NH2+]CCC[N@@H+](Cc1ccccc1)C1CC1 ZINC000238336838 345025537 /nfs/dbraw/zinc/02/55/37/345025537.db2.gz HCUYLMWPAWTGMS-UHFFFAOYSA-N 2 1 218.344 2.261 20 0 BEADMP FC(F)(F)CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156094381 345122242 /nfs/dbraw/zinc/12/22/42/345122242.db2.gz RZFHHEKWLBLFOH-VHSXEESVSA-N 2 1 236.281 2.155 20 0 BEADMP C([N@H+]1CCC[C@H]2CCC[C@H]21)C12CC(C1)C[NH2+]2 ZINC000634992151 345179759 /nfs/dbraw/zinc/17/97/59/345179759.db2.gz FYKMKVQSUXFPOZ-CEUNDQEZSA-N 2 1 220.360 2.003 20 0 BEADMP C[C@@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)CC12CCC2 ZINC000634994765 345182893 /nfs/dbraw/zinc/18/28/93/345182893.db2.gz MJYKINTZPRMMAT-DNOWBOINSA-N 2 1 234.387 2.251 20 0 BEADMP C[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999615 345200127 /nfs/dbraw/zinc/20/01/27/345200127.db2.gz WZXDXGJGOXAFRM-IIAWOOMASA-N 2 1 246.398 2.392 20 0 BEADMP CCOc1cccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000634999899 345202004 /nfs/dbraw/zinc/20/20/04/345202004.db2.gz BWSUAAWMLIYNOP-GXTWGEPZSA-N 2 1 248.370 2.112 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)o1 ZINC000635011228 345212622 /nfs/dbraw/zinc/21/26/22/345212622.db2.gz YLKVVGXAWRYNIR-ZWNOBZJWSA-N 2 1 222.332 2.066 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)o1 ZINC000635011226 345212802 /nfs/dbraw/zinc/21/28/02/345212802.db2.gz YLKVVGXAWRYNIR-GXFFZTMASA-N 2 1 222.332 2.066 20 0 BEADMP Cc1scc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1C ZINC000635023078 345222177 /nfs/dbraw/zinc/22/21/77/345222177.db2.gz RMOMIWCSEQCUQT-NWDGAFQWSA-N 2 1 224.373 2.334 20 0 BEADMP C[N@H+]1CCCC[C@H]1CC[NH2+]C1(C2CC2)CC1 ZINC000381324239 345324733 /nfs/dbraw/zinc/32/47/33/345324733.db2.gz QCTMYFRURAQWFW-ZDUSSCGKSA-N 2 1 222.376 2.393 20 0 BEADMP C1=CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000334782899 187302809 /nfs/dbraw/zinc/30/28/09/187302809.db2.gz GTYXTTFHPJMXGJ-LBPRGKRZSA-N 2 1 220.360 2.312 20 0 BEADMP C[N@H+]1CCC[C@@H]1CN1CCCC2(CC2)CC1 ZINC000626115342 345329804 /nfs/dbraw/zinc/32/98/04/345329804.db2.gz PRCSFAYEZYBXOV-CYBMUJFWSA-N 2 1 222.376 2.347 20 0 BEADMP CN1CCC[C@@H]1C[N@@H+]1CCCC2(CC2)CC1 ZINC000626115342 345329806 /nfs/dbraw/zinc/32/98/06/345329806.db2.gz PRCSFAYEZYBXOV-CYBMUJFWSA-N 2 1 222.376 2.347 20 0 BEADMP CC[C@H](C)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158949384 345391209 /nfs/dbraw/zinc/39/12/09/345391209.db2.gz MHCFSHBGKBZWGZ-BFHYXJOUSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@@H](CSC)[N@H+](C)CCn1cc[nH+]c1C ZINC000091099400 345587160 /nfs/dbraw/zinc/58/71/60/345587160.db2.gz ULIYVMWZUVOEQJ-LBPRGKRZSA-N 2 1 241.404 2.265 20 0 BEADMP CC[C@@H](CSC)[N@@H+](C)CCn1cc[nH+]c1C ZINC000091099400 345587162 /nfs/dbraw/zinc/58/71/62/345587162.db2.gz ULIYVMWZUVOEQJ-LBPRGKRZSA-N 2 1 241.404 2.265 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000308988265 187307513 /nfs/dbraw/zinc/30/75/13/187307513.db2.gz MUTFPVFMKOZGGM-FVCCEPFGSA-N 2 1 212.381 2.349 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000308988265 187307515 /nfs/dbraw/zinc/30/75/15/187307515.db2.gz MUTFPVFMKOZGGM-FVCCEPFGSA-N 2 1 212.381 2.349 20 0 BEADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2ccn(C)c2)C1 ZINC000093742126 345663124 /nfs/dbraw/zinc/66/31/24/345663124.db2.gz ZPEHYEOGJMBMIJ-OAHLLOKOSA-N 2 1 249.402 2.189 20 0 BEADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccn(C)c2)C1 ZINC000093742126 345663126 /nfs/dbraw/zinc/66/31/26/345663126.db2.gz ZPEHYEOGJMBMIJ-OAHLLOKOSA-N 2 1 249.402 2.189 20 0 BEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccn(C)c2)C1 ZINC000093742126 345663127 /nfs/dbraw/zinc/66/31/27/345663127.db2.gz ZPEHYEOGJMBMIJ-OAHLLOKOSA-N 2 1 249.402 2.189 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccn(C)c2)C1 ZINC000093742126 345663129 /nfs/dbraw/zinc/66/31/29/345663129.db2.gz ZPEHYEOGJMBMIJ-OAHLLOKOSA-N 2 1 249.402 2.189 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccn(C)c2)C1 ZINC000093742126 345663130 /nfs/dbraw/zinc/66/31/30/345663130.db2.gz ZPEHYEOGJMBMIJ-OAHLLOKOSA-N 2 1 249.402 2.189 20 0 BEADMP C[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@H](C)C2)C1 ZINC000137675598 345685496 /nfs/dbraw/zinc/68/54/96/345685496.db2.gz JSFSIQWVRIGBLS-BETUJISGSA-N 2 1 210.365 2.060 20 0 BEADMP C[C@@H]1CC[N@@H+](CCC[NH+]2CC[C@H](C)C2)C1 ZINC000137675598 345685499 /nfs/dbraw/zinc/68/54/99/345685499.db2.gz JSFSIQWVRIGBLS-BETUJISGSA-N 2 1 210.365 2.060 20 0 BEADMP C[C@@H]1CC[N@H+](CCC[NH+]2CC[C@H](C)C2)C1 ZINC000137675598 345685500 /nfs/dbraw/zinc/68/55/00/345685500.db2.gz JSFSIQWVRIGBLS-BETUJISGSA-N 2 1 210.365 2.060 20 0 BEADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000215908811 345742923 /nfs/dbraw/zinc/74/29/23/345742923.db2.gz YQTIEJVZQWOHBB-GWCFXTLKSA-N 2 1 238.762 2.395 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309436651 187309394 /nfs/dbraw/zinc/30/93/94/187309394.db2.gz NEGDYMYOAIEQQS-MJBXVCDLSA-N 2 1 224.392 2.210 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000223052378 345748114 /nfs/dbraw/zinc/74/81/14/345748114.db2.gz LKMVYXQPYRKHDN-AAEUAGOBSA-N 2 1 206.333 2.383 20 0 BEADMP [NH3+]C1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000226381839 345751050 /nfs/dbraw/zinc/75/10/50/345751050.db2.gz AZYQGZMVQJBJOL-UHFFFAOYSA-N 2 1 241.338 2.158 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1C ZINC000231443712 345752774 /nfs/dbraw/zinc/75/27/74/345752774.db2.gz ARGMJVRECRQJAU-NWDGAFQWSA-N 2 1 206.333 2.383 20 0 BEADMP CC(C)c1[nH+]ccn1CC[C@@H]1CC[NH2+]C1 ZINC000212367388 345732222 /nfs/dbraw/zinc/73/22/22/345732222.db2.gz RNQOMZZYXLAAOF-NSHDSACASA-N 2 1 207.321 2.006 20 0 BEADMP C[C@@H](C[NH2+]CC1(F)CC1)C[NH+]1CCCCC1 ZINC000381460829 345945760 /nfs/dbraw/zinc/94/57/60/345945760.db2.gz KZZQMHBSWJHBND-LBPRGKRZSA-N 2 1 228.355 2.200 20 0 BEADMP CC(C)(C[NH2+]CC1(F)CC1)C[NH+]1CCCC1 ZINC000381460509 345946372 /nfs/dbraw/zinc/94/63/72/345946372.db2.gz JNMAWCONKKHSFH-UHFFFAOYSA-N 2 1 228.355 2.200 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CC1(C)C ZINC000381492589 346077507 /nfs/dbraw/zinc/07/75/07/346077507.db2.gz YTEWIFGUFMQDDG-RWMBFGLXSA-N 2 1 224.392 2.352 20 0 BEADMP Cc1cccc(C)c1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000278931049 179036202 /nfs/dbraw/zinc/03/62/02/179036202.db2.gz WIEUCEHKAJZQCK-GASCZTMLSA-N 2 1 244.382 2.297 20 0 BEADMP Cc1cccc(C[N@@H+]2CCC[NH2+]CC2)c1C ZINC000043315854 179075007 /nfs/dbraw/zinc/07/50/07/179075007.db2.gz AFRZLNYYIHLJHA-UHFFFAOYSA-N 2 1 218.344 2.099 20 0 BEADMP Cc1cccc(C[N@H+]2CCC[NH2+]CC2)c1C ZINC000043315854 179075008 /nfs/dbraw/zinc/07/50/08/179075008.db2.gz AFRZLNYYIHLJHA-UHFFFAOYSA-N 2 1 218.344 2.099 20 0 BEADMP Cc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000011888318 179074396 /nfs/dbraw/zinc/07/43/96/179074396.db2.gz CBHXHESECXQGEL-AWEZNQCLSA-N 2 1 218.344 2.166 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000163424988 179080984 /nfs/dbraw/zinc/08/09/84/179080984.db2.gz PZQZIZURPBSUOU-DZGCQCFKSA-N 2 1 232.371 2.412 20 0 BEADMP Cc1cccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1C ZINC000228066891 179081384 /nfs/dbraw/zinc/08/13/84/179081384.db2.gz USOJHFQEAMHYFS-TZMCWYRMSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1C ZINC000227054624 179081602 /nfs/dbraw/zinc/08/16/02/179081602.db2.gz NAHHXYBJRFSNQO-WFASDCNBSA-N 2 1 232.371 2.473 20 0 BEADMP CC1(C)CC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000334214748 346444803 /nfs/dbraw/zinc/44/48/03/346444803.db2.gz SYEUUWMVLSIRST-CYBMUJFWSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccc(N)c2)[C@@H]1C ZINC000641808875 362762966 /nfs/dbraw/zinc/76/29/66/362762966.db2.gz ONGKITOQIXEZCF-LALPHHSUSA-N 2 1 247.386 2.217 20 0 BEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccc(N)c2)[C@@H]1C ZINC000641808875 362762973 /nfs/dbraw/zinc/76/29/73/362762973.db2.gz ONGKITOQIXEZCF-LALPHHSUSA-N 2 1 247.386 2.217 20 0 BEADMP COc1ccc(C)cc1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641805078 362763156 /nfs/dbraw/zinc/76/31/56/362763156.db2.gz MNMLIPZWKYBFQX-KGLIPLIRSA-N 2 1 248.370 2.219 20 0 BEADMP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H](C)S1 ZINC000069908592 349967941 /nfs/dbraw/zinc/96/79/41/349967941.db2.gz MQHKKZVZXIQPKM-XQQFMLRXSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1CC[C@H](CN)[N@@H+](C[C@@H]2CCCCO2)[C@H]1C ZINC000641806335 362764099 /nfs/dbraw/zinc/76/40/99/362764099.db2.gz QOZWLPCQGAMIGS-RQJABVFESA-N 2 1 240.391 2.003 20 0 BEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H]2CCCCO2)[C@H]1C ZINC000641806335 362764116 /nfs/dbraw/zinc/76/41/16/362764116.db2.gz QOZWLPCQGAMIGS-RQJABVFESA-N 2 1 240.391 2.003 20 0 BEADMP Cc1cccc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)[nH+]1 ZINC000274594204 179124021 /nfs/dbraw/zinc/12/40/21/179124021.db2.gz KWRMWEWFBDJOLH-KBPBESRZSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)[nH+]1 ZINC000274594204 179124023 /nfs/dbraw/zinc/12/40/23/179124023.db2.gz KWRMWEWFBDJOLH-KBPBESRZSA-N 2 1 245.370 2.311 20 0 BEADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C[C@@H](C)COC ZINC000187887639 346644886 /nfs/dbraw/zinc/64/48/86/346644886.db2.gz BPKVKGGZITZDFJ-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP CC[C@H]1CCCC[N@H+]1CC[NH2+]C[C@@H](C)COC ZINC000187887639 346644888 /nfs/dbraw/zinc/64/48/88/346644888.db2.gz BPKVKGGZITZDFJ-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2OC)CC1 ZINC000038098208 346715537 /nfs/dbraw/zinc/71/55/37/346715537.db2.gz PJBUCCHUDCLEEX-UONOGXRCSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1cccc(N[C@H](C)[C@H]2CCC[NH2+]C2)[nH+]1 ZINC000050164110 179156672 /nfs/dbraw/zinc/15/66/72/179156672.db2.gz FNYJIYIZMGROFY-NEPJUHHUSA-N 2 1 219.332 2.190 20 0 BEADMP CC[C@H](C)[C@@H](C)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000168265856 346732331 /nfs/dbraw/zinc/73/23/31/346732331.db2.gz VCBVNGZKHKZOOT-QWHCGFSZSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)(C)CC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622003471 370653963 /nfs/dbraw/zinc/65/39/63/370653963.db2.gz AGMNJRNFQMNLGX-AAEUAGOBSA-N 2 1 210.365 2.236 20 0 BEADMP Cc1cccc([C@@H](C)[N@@H+]2CCC[NH2+]CC2)c1 ZINC000022101205 179179256 /nfs/dbraw/zinc/17/92/56/179179256.db2.gz KNFNMFICEFUASK-CYBMUJFWSA-N 2 1 218.344 2.351 20 0 BEADMP Cc1cccc([C@@H](C)[N@H+]2CCC[NH2+]CC2)c1 ZINC000022101205 179179258 /nfs/dbraw/zinc/17/92/58/179179258.db2.gz KNFNMFICEFUASK-CYBMUJFWSA-N 2 1 218.344 2.351 20 0 BEADMP Cc1cccc([C@@H]2CCC[N@H+]2CCOCC[NH3+])c1 ZINC000357084226 179189912 /nfs/dbraw/zinc/18/99/12/179189912.db2.gz ZKLWBJPXINCLRO-HNNXBMFYSA-N 2 1 248.370 2.107 20 0 BEADMP Cc1cccc([C@H](C)[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000203597028 179194962 /nfs/dbraw/zinc/19/49/62/179194962.db2.gz XBPHPELGIVYRHC-AEGPPILISA-N 2 1 230.355 2.207 20 0 BEADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@H](C)[NH3+])c1 ZINC000336405987 179204559 /nfs/dbraw/zinc/20/45/59/179204559.db2.gz KKCMPZMCZFJCRF-GXTWGEPZSA-N 2 1 218.344 2.479 20 0 BEADMP Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](C)[NH3+])c1 ZINC000336405987 179204560 /nfs/dbraw/zinc/20/45/60/179204560.db2.gz KKCMPZMCZFJCRF-GXTWGEPZSA-N 2 1 218.344 2.479 20 0 BEADMP Cc1cccc([C@H]2CCC[N@H+]2CCOCC[NH3+])c1 ZINC000357084227 179203230 /nfs/dbraw/zinc/20/32/30/179203230.db2.gz ZKLWBJPXINCLRO-OAHLLOKOSA-N 2 1 248.370 2.107 20 0 BEADMP Cc1cccc2c1cc[nH+]c2NCCC[NH3+] ZINC000082765904 179211644 /nfs/dbraw/zinc/21/16/44/179211644.db2.gz AMXALZVEBJQLPY-UHFFFAOYSA-N 2 1 215.300 2.304 20 0 BEADMP Cn1cncc1CCC[N@@H+](C)CC1CCC1 ZINC000518791100 347385417 /nfs/dbraw/zinc/38/54/17/347385417.db2.gz WTZSXGZCEMLFFV-UHFFFAOYSA-N 2 1 221.348 2.085 20 0 BEADMP Cn1c[nH+]cc1CCC[N@H+](C)CC1CCC1 ZINC000518791100 347385419 /nfs/dbraw/zinc/38/54/19/347385419.db2.gz WTZSXGZCEMLFFV-UHFFFAOYSA-N 2 1 221.348 2.085 20 0 BEADMP Cn1c[nH+]cc1CCC[N@@H+](C)CC1CCC1 ZINC000518791100 347385421 /nfs/dbraw/zinc/38/54/21/347385421.db2.gz WTZSXGZCEMLFFV-UHFFFAOYSA-N 2 1 221.348 2.085 20 0 BEADMP CCc1nc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc(C)[nH+]1 ZINC000302563124 347586393 /nfs/dbraw/zinc/58/63/93/347586393.db2.gz YWBVLAOBSBVXDT-RYUDHWBXSA-N 2 1 248.374 2.242 20 0 BEADMP CCc1nc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(C)[nH+]1 ZINC000302563124 347586395 /nfs/dbraw/zinc/58/63/95/347586395.db2.gz YWBVLAOBSBVXDT-RYUDHWBXSA-N 2 1 248.374 2.242 20 0 BEADMP Cc1ccccc1C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000019843384 179272094 /nfs/dbraw/zinc/27/20/94/179272094.db2.gz FTBRAASIOQVPDK-AWEZNQCLSA-N 2 1 218.344 2.308 20 0 BEADMP Cc1ccccc1C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000019843384 179272095 /nfs/dbraw/zinc/27/20/95/179272095.db2.gz FTBRAASIOQVPDK-AWEZNQCLSA-N 2 1 218.344 2.308 20 0 BEADMP Cc1ccccc1C[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000042435966 179269504 /nfs/dbraw/zinc/26/95/04/179269504.db2.gz UMRYCONIHINLCH-AWEZNQCLSA-N 2 1 218.344 2.164 20 0 BEADMP Cc1ccccc1C[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000042435966 179269506 /nfs/dbraw/zinc/26/95/06/179269506.db2.gz UMRYCONIHINLCH-AWEZNQCLSA-N 2 1 218.344 2.164 20 0 BEADMP Cc1ccccc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228201702 179276224 /nfs/dbraw/zinc/27/62/24/179276224.db2.gz HXBYFTYRGJLPQR-JSGCOSHPSA-N 2 1 218.344 2.164 20 0 BEADMP Cc1ccccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000037248608 179281653 /nfs/dbraw/zinc/28/16/53/179281653.db2.gz LOVONWFZUOSEMX-UHFFFAOYSA-N 2 1 218.344 2.179 20 0 BEADMP Cc1ccccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000031994567 179277232 /nfs/dbraw/zinc/27/72/32/179277232.db2.gz WZCRCJHCLXTUJJ-OAHLLOKOSA-N 2 1 230.355 2.180 20 0 BEADMP CC[N@H+](CCCn1cc[nH+]c1C)CCSC ZINC000592204504 347756918 /nfs/dbraw/zinc/75/69/18/347756918.db2.gz TVVCJAMRCOQSJP-UHFFFAOYSA-N 2 1 241.404 2.267 20 0 BEADMP CC[N@@H+](CCCn1cc[nH+]c1C)CCSC ZINC000592204504 347756922 /nfs/dbraw/zinc/75/69/22/347756922.db2.gz TVVCJAMRCOQSJP-UHFFFAOYSA-N 2 1 241.404 2.267 20 0 BEADMP Cc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000235485109 179288801 /nfs/dbraw/zinc/28/88/01/179288801.db2.gz RXJALYAZBPKBPV-UKRRQHHQSA-N 2 1 232.371 2.268 20 0 BEADMP Cc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000235139002 179290680 /nfs/dbraw/zinc/29/06/80/179290680.db2.gz RXJALYAZBPKBPV-ZFWWWQNUSA-N 2 1 232.371 2.268 20 0 BEADMP Cc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000235139135 179291026 /nfs/dbraw/zinc/29/10/26/179291026.db2.gz RXJALYAZBPKBPV-DZGCQCFKSA-N 2 1 232.371 2.268 20 0 BEADMP CCS[C@H]1CCCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000592477065 347791300 /nfs/dbraw/zinc/79/13/00/347791300.db2.gz QYLYNUMHGZSOEE-OLZOCXBDSA-N 2 1 242.432 2.204 20 0 BEADMP Cc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1C ZINC000535047202 323164429 /nfs/dbraw/zinc/16/44/29/323164429.db2.gz ATKFABZXXAQFEY-UHFFFAOYSA-N 2 1 232.371 2.489 20 0 BEADMP [NH3+]CCC[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000202728526 348043890 /nfs/dbraw/zinc/04/38/90/348043890.db2.gz JWZCYSNNROAHDN-OAHLLOKOSA-N 2 1 232.371 2.432 20 0 BEADMP C[C@@H](CSCCF)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000595011411 348163180 /nfs/dbraw/zinc/16/31/80/348163180.db2.gz DQSVNXMWCQQOOM-JQWIXIFHSA-N 2 1 248.411 2.007 20 0 BEADMP CC1(C)CC[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C1 ZINC000129585854 490152934 /nfs/dbraw/zinc/15/29/34/490152934.db2.gz XMPDXDDOKXFROX-NEPJUHHUSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CS1 ZINC000251741290 362905441 /nfs/dbraw/zinc/90/54/41/362905441.db2.gz CUGZNQJZDZAWFE-MROQNXINSA-N 2 1 240.416 2.097 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CS1 ZINC000251741290 362905443 /nfs/dbraw/zinc/90/54/43/362905443.db2.gz CUGZNQJZDZAWFE-MROQNXINSA-N 2 1 240.416 2.097 20 0 BEADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000401879268 348435564 /nfs/dbraw/zinc/43/55/64/348435564.db2.gz PMJCMUYUSCIUMB-AAEUAGOBSA-N 2 1 235.375 2.377 20 0 BEADMP Cc1ccc(C[NH2+]CCC[NH+]2CCC2)c(C)c1 ZINC000535760095 323190645 /nfs/dbraw/zinc/19/06/45/323190645.db2.gz KCRFGSJSCCUKSJ-UHFFFAOYSA-N 2 1 232.371 2.489 20 0 BEADMP Cc1ccsc1C[NH2+]CCn1cc[nH+]c1C ZINC000050973955 179546754 /nfs/dbraw/zinc/54/67/54/179546754.db2.gz ZIJJLWRIIVNQIZ-UHFFFAOYSA-N 2 1 235.356 2.351 20 0 BEADMP CCSC1(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000596650801 348606210 /nfs/dbraw/zinc/60/62/10/348606210.db2.gz KRFNHVMVVPCSQI-RYUDHWBXSA-N 2 1 242.432 2.392 20 0 BEADMP CCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020523808 348727441 /nfs/dbraw/zinc/72/74/41/348727441.db2.gz PGPQZTMZWGGYQT-YHWZYXNKSA-N 2 1 210.365 2.391 20 0 BEADMP CC(C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020524082 348733640 /nfs/dbraw/zinc/73/36/40/348733640.db2.gz NYAKOTKWVZUILG-WODVXLOZSA-N 2 1 210.365 2.246 20 0 BEADMP CS[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000598970265 349069414 /nfs/dbraw/zinc/06/94/14/349069414.db2.gz LTJXBYHQSDDLMV-GHMZBOCLSA-N 2 1 230.421 2.200 20 0 BEADMP CS[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000598970268 349069654 /nfs/dbraw/zinc/06/96/54/349069654.db2.gz LTJXBYHQSDDLMV-WDEREUQCSA-N 2 1 230.421 2.200 20 0 BEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C[C@H](C)COC ZINC000249248765 349162041 /nfs/dbraw/zinc/16/20/41/349162041.db2.gz BPKVKGGZITZDFJ-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C[C@H](C)COC ZINC000249248765 349162044 /nfs/dbraw/zinc/16/20/44/349162044.db2.gz BPKVKGGZITZDFJ-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]CCCCF)CC1(C)C ZINC000623529522 362948299 /nfs/dbraw/zinc/94/82/99/362948299.db2.gz MVPWSHJMPXTAFN-LLVKDONJSA-N 2 1 216.344 2.199 20 0 BEADMP COCC[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000218631352 350098237 /nfs/dbraw/zinc/09/82/37/350098237.db2.gz XFELAOGTECLDIA-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000304584648 350157685 /nfs/dbraw/zinc/15/76/85/350157685.db2.gz ONWAJBXVDWSEJR-YUTCNCBUSA-N 2 1 222.376 2.249 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCC(C)C)[C@H](C)C1 ZINC000151768769 191065807 /nfs/dbraw/zinc/06/58/07/191065807.db2.gz GHFFQHKDQDJCJY-OLZOCXBDSA-N 2 1 212.381 2.352 20 0 BEADMP C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000306073406 191074053 /nfs/dbraw/zinc/07/40/53/191074053.db2.gz DNFJOCUWIWKGKC-ZQNQSHIBSA-N 2 1 234.387 2.391 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](C)C1 ZINC000336707513 180233195 /nfs/dbraw/zinc/23/31/95/180233195.db2.gz SPNIKIGHRPSVSK-GFCCVEGCSA-N 2 1 221.348 2.314 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](C)C1 ZINC000336707513 180233197 /nfs/dbraw/zinc/23/31/97/180233197.db2.gz SPNIKIGHRPSVSK-GFCCVEGCSA-N 2 1 221.348 2.314 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH+]1CCCCC1 ZINC000120178905 180234277 /nfs/dbraw/zinc/23/42/77/180234277.db2.gz RKIMHDHHECJNII-UHFFFAOYSA-N 2 1 221.348 2.458 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCSC1 ZINC000270671393 180235745 /nfs/dbraw/zinc/23/57/45/180235745.db2.gz SFURNKOMZBLGIE-GFCCVEGCSA-N 2 1 239.388 2.019 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCSC1 ZINC000270671393 180235749 /nfs/dbraw/zinc/23/57/49/180235749.db2.gz SFURNKOMZBLGIE-GFCCVEGCSA-N 2 1 239.388 2.019 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccccn1 ZINC000338016375 180247119 /nfs/dbraw/zinc/24/71/19/180247119.db2.gz KPJUUKSYARGJSZ-GFCCVEGCSA-N 2 1 244.342 2.327 20 0 BEADMP Cc1[nH+]ccn1CCCOc1ccc(C[NH3+])cc1 ZINC000037050494 180247454 /nfs/dbraw/zinc/24/74/54/180247454.db2.gz QATGYFLRPWAFFP-UHFFFAOYSA-N 2 1 245.326 2.119 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)C1CCC1 ZINC000336743661 180248198 /nfs/dbraw/zinc/24/81/98/180248198.db2.gz PKKROZRVQQRZMB-LLVKDONJSA-N 2 1 221.348 2.360 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000346281262 180251057 /nfs/dbraw/zinc/25/10/57/180251057.db2.gz SPGZJRUPVKRFMW-LLVKDONJSA-N 2 1 233.359 2.454 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000346281262 180251061 /nfs/dbraw/zinc/25/10/61/180251061.db2.gz SPGZJRUPVKRFMW-LLVKDONJSA-N 2 1 233.359 2.454 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000156813625 191088390 /nfs/dbraw/zinc/08/83/90/191088390.db2.gz HIDVTPGQTCKKPR-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000156813625 191088392 /nfs/dbraw/zinc/08/83/92/191088392.db2.gz HIDVTPGQTCKKPR-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP Cc1[nH+]ccn1CCC[NH+]1[C@@H](C)CC[C@@H]1C ZINC000336707319 180244262 /nfs/dbraw/zinc/24/42/62/180244262.db2.gz SIWUVNOGEJYTTA-RYUDHWBXSA-N 2 1 221.348 2.454 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]C1CC(C(C)C)C1 ZINC000336684436 180260719 /nfs/dbraw/zinc/26/07/19/180260719.db2.gz ZLPZEHNGKAVPPB-UHFFFAOYSA-N 2 1 221.348 2.216 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC[C@@H]1C ZINC000049329896 180263577 /nfs/dbraw/zinc/26/35/77/180263577.db2.gz WTBXHJRKGDOPJC-AAEUAGOBSA-N 2 1 221.348 2.360 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC(C)(C)C1 ZINC000122606530 180263637 /nfs/dbraw/zinc/26/36/37/180263637.db2.gz NMDQGKFPPMALIF-LBPRGKRZSA-N 2 1 221.348 2.360 20 0 BEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccco1 ZINC000237387042 180264381 /nfs/dbraw/zinc/26/43/81/180264381.db2.gz GQATVXWXVWHIHK-NSHDSACASA-N 2 1 233.315 2.210 20 0 BEADMP CCCC[N@@H+](CC)CCC1CC[NH2+]CC1 ZINC000026514044 350278188 /nfs/dbraw/zinc/27/81/88/350278188.db2.gz BWHXKSADQOLWPS-UHFFFAOYSA-N 2 1 212.381 2.498 20 0 BEADMP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)OC ZINC000623535258 362953523 /nfs/dbraw/zinc/95/35/23/362953523.db2.gz SARGAMSPGZTZGI-CHWSQXEVSA-N 2 1 242.407 2.264 20 0 BEADMP CCC[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)OC ZINC000623535259 362954506 /nfs/dbraw/zinc/95/45/06/362954506.db2.gz SARGAMSPGZTZGI-OLZOCXBDSA-N 2 1 242.407 2.264 20 0 BEADMP Cc1ncsc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000082666944 180315451 /nfs/dbraw/zinc/31/54/51/180315451.db2.gz UCIZVVPXNQNPAG-NSHDSACASA-N 2 1 239.388 2.025 20 0 BEADMP Cc1ncsc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000082666944 180315453 /nfs/dbraw/zinc/31/54/53/180315453.db2.gz UCIZVVPXNQNPAG-NSHDSACASA-N 2 1 239.388 2.025 20 0 BEADMP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623539612 362958444 /nfs/dbraw/zinc/95/84/44/362958444.db2.gz WODMTWJTWAQTRQ-JHJVBQTASA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@@](C)(C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)OC ZINC000623538712 362958684 /nfs/dbraw/zinc/95/86/84/362958684.db2.gz RIBKIFNNWZBMRI-JSGCOSHPSA-N 2 1 242.407 2.264 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)CC1(C)C ZINC000623542614 362961382 /nfs/dbraw/zinc/96/13/82/362961382.db2.gz LGTQWMYNLAJUPW-MJBXVCDLSA-N 2 1 236.403 2.495 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)COC(C)C)C1 ZINC000337308026 350571931 /nfs/dbraw/zinc/57/19/31/350571931.db2.gz SSIFMHYNRPMPMM-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)COC(C)C)C1 ZINC000337308025 350572077 /nfs/dbraw/zinc/57/20/77/350572077.db2.gz SSIFMHYNRPMPMM-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428029324 191109214 /nfs/dbraw/zinc/10/92/14/191109214.db2.gz ABSCJAUJNRPTGF-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccs1 ZINC000105480616 191123328 /nfs/dbraw/zinc/12/33/28/191123328.db2.gz YLSGGLMTGNTIHX-JQWIXIFHSA-N 2 1 224.373 2.178 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccs1 ZINC000105480616 191123330 /nfs/dbraw/zinc/12/33/30/191123330.db2.gz YLSGGLMTGNTIHX-JQWIXIFHSA-N 2 1 224.373 2.178 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000336691922 350994008 /nfs/dbraw/zinc/99/40/08/350994008.db2.gz HIDVTPGQTCKKPR-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000336691922 350994010 /nfs/dbraw/zinc/99/40/10/350994010.db2.gz HIDVTPGQTCKKPR-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)CC1(C)C ZINC000623572201 363001395 /nfs/dbraw/zinc/00/13/95/363001395.db2.gz USPUTNMZZPVBDO-RVMXOQNASA-N 2 1 222.376 2.247 20 0 BEADMP CCc1nc(C)cc(N[C@H]2CC[N@H+](C(C)C)C2)n1 ZINC000283786081 351069566 /nfs/dbraw/zinc/06/95/66/351069566.db2.gz RESOXVJTFCSILV-LBPRGKRZSA-N 2 1 248.374 2.242 20 0 BEADMP [NH3+]CCC[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000414680856 351588515 /nfs/dbraw/zinc/58/85/15/351588515.db2.gz UVMSNISATVHOFI-ZDUSSCGKSA-N 2 1 236.384 2.125 20 0 BEADMP CCC[C@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)OC ZINC000637930617 351806624 /nfs/dbraw/zinc/80/66/24/351806624.db2.gz QGJLDQRSKIHSCS-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[C@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)OC ZINC000637930617 351806627 /nfs/dbraw/zinc/80/66/27/351806627.db2.gz QGJLDQRSKIHSCS-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[C@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)OC ZINC000637930617 351806629 /nfs/dbraw/zinc/80/66/29/351806629.db2.gz QGJLDQRSKIHSCS-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@]2(C)CCCO2)CC1 ZINC000340179488 351979791 /nfs/dbraw/zinc/97/97/91/351979791.db2.gz DDQUNQSANYZQBC-TZMCWYRMSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)CC)C1)OC ZINC000638131879 352001896 /nfs/dbraw/zinc/00/18/96/352001896.db2.gz FDSXJYKNRHGNFJ-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[C@@H](C[NH+]1CC[C@@H](C[N@H+](C)CC)C1)OC ZINC000638131879 352001898 /nfs/dbraw/zinc/00/18/98/352001898.db2.gz FDSXJYKNRHGNFJ-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[C@@H](C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1)OC ZINC000638131879 352001901 /nfs/dbraw/zinc/00/19/01/352001901.db2.gz FDSXJYKNRHGNFJ-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC1(F)F ZINC000638361026 352171441 /nfs/dbraw/zinc/17/14/41/352171441.db2.gz ZHTKRSCRDQNMFE-UMNHJUIQSA-N 2 1 244.329 2.104 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CC1(F)F ZINC000638361023 352171481 /nfs/dbraw/zinc/17/14/81/352171481.db2.gz ZHTKRSCRDQNMFE-HOSYDEDBSA-N 2 1 244.329 2.104 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CC1(F)F ZINC000638377106 352188687 /nfs/dbraw/zinc/18/86/87/352188687.db2.gz NHZOOZHKGNMECT-USZNOCQGSA-N 2 1 244.329 2.247 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000638384402 352195125 /nfs/dbraw/zinc/19/51/25/352195125.db2.gz ACZWNWWXSBQDPG-GXSJLCMTSA-N 2 1 243.301 2.215 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@](C)(CC)OC)C1 ZINC000638408452 352215006 /nfs/dbraw/zinc/21/50/06/352215006.db2.gz BBOPGDHXXBXYLV-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CS[C@H](C)C2)C1 ZINC000638451116 352257853 /nfs/dbraw/zinc/25/78/53/352257853.db2.gz LHTYOAFJIPPION-JHJVBQTASA-N 2 1 242.432 2.202 20 0 BEADMP CCOC1CC(C[NH2+]CC[N@H+](C)[C@@H](C)CC)C1 ZINC000638503454 352325851 /nfs/dbraw/zinc/32/58/51/352325851.db2.gz ISSHZXHPHHCXAS-HSBZDZAISA-N 2 1 242.407 2.121 20 0 BEADMP CCOC1CC(C[NH2+]CC[N@@H+](C)[C@@H](C)CC)C1 ZINC000638503454 352325852 /nfs/dbraw/zinc/32/58/52/352325852.db2.gz ISSHZXHPHHCXAS-HSBZDZAISA-N 2 1 242.407 2.121 20 0 BEADMP CSc1ccccc1C[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC000414933603 352341352 /nfs/dbraw/zinc/34/13/52/352341352.db2.gz UJLWBWOTTJLVKO-WDEREUQCSA-N 2 1 238.400 2.276 20 0 BEADMP CSc1ccccc1C[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000414947076 352370410 /nfs/dbraw/zinc/37/04/10/352370410.db2.gz UJLWBWOTTJLVKO-QWRGUYRKSA-N 2 1 238.400 2.276 20 0 BEADMP CC(C)[C@@H]1CC[C@@H]([NH2+][C@@H](C)C[NH3+])C[C@H]1C ZINC000414947037 352370501 /nfs/dbraw/zinc/37/05/01/352370501.db2.gz UFYACWJNKTUNLX-XQHKEYJVSA-N 2 1 212.381 2.384 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](C)[C@H]2C)CC[NH2+]1 ZINC000252931283 538103685 /nfs/dbraw/zinc/10/36/85/538103685.db2.gz BFFRSWMZRDXURF-UMSGYPCISA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000252958517 538103790 /nfs/dbraw/zinc/10/37/90/538103790.db2.gz SWIAYLRCUHHJGQ-YVECIDJPSA-N 2 1 210.365 2.105 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2C)[C@@H](C)C1 ZINC000607956981 352468190 /nfs/dbraw/zinc/46/81/90/352468190.db2.gz CGHGZJKJCROMMM-WFASDCNBSA-N 2 1 247.386 2.210 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccnc2C)[C@@H](C)C1 ZINC000607956981 352468191 /nfs/dbraw/zinc/46/81/91/352468191.db2.gz CGHGZJKJCROMMM-WFASDCNBSA-N 2 1 247.386 2.210 20 0 BEADMP COc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1Cl ZINC000415004012 352478778 /nfs/dbraw/zinc/47/87/78/352478778.db2.gz HAPZCHOCBSQCII-RKDXNWHRSA-N 2 1 242.750 2.174 20 0 BEADMP CCOc1ccccc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044527771 352654585 /nfs/dbraw/zinc/65/45/85/352654585.db2.gz LWXGUYOELPWASK-ZDUSSCGKSA-N 2 1 248.370 2.256 20 0 BEADMP C[N@@H+](CC1CCCCC1)C[C@@H]1CCC[NH2+]C1 ZINC000042495608 352622245 /nfs/dbraw/zinc/62/22/45/352622245.db2.gz WMNPUBSJBQKVFX-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043324791 352636530 /nfs/dbraw/zinc/63/65/30/352636530.db2.gz VLZIXWIHSYXSMC-TZMCWYRMSA-N 2 1 218.344 2.132 20 0 BEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C[C@H]1C[C@H]1C ZINC000336746060 352735575 /nfs/dbraw/zinc/73/55/75/352735575.db2.gz WBOWPGAJSOVHIU-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C[C@H]1C[C@H]1C ZINC000336746060 352735578 /nfs/dbraw/zinc/73/55/78/352735578.db2.gz WBOWPGAJSOVHIU-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccncc1Cl ZINC000334237191 352855469 /nfs/dbraw/zinc/85/54/69/352855469.db2.gz LVCFBGYLRHATNQ-UWVGGRQHSA-N 2 1 239.750 2.264 20 0 BEADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccncc1Cl ZINC000334237191 352855471 /nfs/dbraw/zinc/85/54/71/352855471.db2.gz LVCFBGYLRHATNQ-UWVGGRQHSA-N 2 1 239.750 2.264 20 0 BEADMP c1cc2c(s1)C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000334319057 352949446 /nfs/dbraw/zinc/94/94/46/352949446.db2.gz XGUXTCQBEKKIIK-LLVKDONJSA-N 2 1 236.384 2.106 20 0 BEADMP CCC([NH3+])(CC)C[NH2+]Cc1sc(C)nc1C ZINC000261572835 535193628 /nfs/dbraw/zinc/19/36/28/535193628.db2.gz IJGILEMQJYWQPG-UHFFFAOYSA-N 2 1 241.404 2.367 20 0 BEADMP c1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cs1 ZINC000334430954 353105574 /nfs/dbraw/zinc/10/55/74/353105574.db2.gz BEWVVBDHYWUSES-CYBMUJFWSA-N 2 1 236.384 2.324 20 0 BEADMP c1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cs1 ZINC000334430954 353105575 /nfs/dbraw/zinc/10/55/75/353105575.db2.gz BEWVVBDHYWUSES-CYBMUJFWSA-N 2 1 236.384 2.324 20 0 BEADMP c1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cs1 ZINC000334430956 353105702 /nfs/dbraw/zinc/10/57/02/353105702.db2.gz BEWVVBDHYWUSES-ZDUSSCGKSA-N 2 1 236.384 2.324 20 0 BEADMP c1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cs1 ZINC000334430956 353105704 /nfs/dbraw/zinc/10/57/04/353105704.db2.gz BEWVVBDHYWUSES-ZDUSSCGKSA-N 2 1 236.384 2.324 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000338005002 188016420 /nfs/dbraw/zinc/01/64/20/188016420.db2.gz ZNRRDDBGKUAQQH-UONOGXRCSA-N 2 1 233.359 2.360 20 0 BEADMP C[C@H](CC[NH+](C)C)Nc1[nH]c2ccccc2[nH+]1 ZINC000049558502 353168323 /nfs/dbraw/zinc/16/83/23/353168323.db2.gz PYYHSARDVLBXPO-SNVBAGLBSA-N 2 1 232.331 2.315 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000252097549 353296098 /nfs/dbraw/zinc/29/60/98/353296098.db2.gz FSQXNGIFBWULKA-YIYPIFLZSA-N 2 1 224.392 2.482 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000126282372 188316203 /nfs/dbraw/zinc/31/62/03/188316203.db2.gz MUFUSUGQYSZHNN-XQQFMLRXSA-N 2 1 210.365 2.092 20 0 BEADMP C1[C@H]2CCC[C@@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)[C@@H]12 ZINC000306073401 188329303 /nfs/dbraw/zinc/32/93/03/188329303.db2.gz DNFJOCUWIWKGKC-NIFZNCRKSA-N 2 1 234.387 2.391 20 0 BEADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000227167961 188330839 /nfs/dbraw/zinc/33/08/39/188330839.db2.gz IRPUNYSVHOHOHY-KGLIPLIRSA-N 2 1 222.376 2.251 20 0 BEADMP CC(C)C1CC([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000336666354 188339124 /nfs/dbraw/zinc/33/91/24/188339124.db2.gz LUOYAZZYKDPVBE-UHFFFAOYSA-N 2 1 222.376 2.273 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000309072613 188342538 /nfs/dbraw/zinc/34/25/38/188342538.db2.gz GFJVJBADYYYHHX-JHJVBQTASA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000309072613 188342540 /nfs/dbraw/zinc/34/25/40/188342540.db2.gz GFJVJBADYYYHHX-JHJVBQTASA-N 2 1 212.381 2.493 20 0 BEADMP C1C[C@@H]2C[C@@H]([NH2+]C3CCSCC3)CC[N@H+]2C1 ZINC000106868997 188345208 /nfs/dbraw/zinc/34/52/08/188345208.db2.gz IRSLVGSOGWWFBB-QWHCGFSZSA-N 2 1 240.416 2.098 20 0 BEADMP c1coc(C2=CCC[N@H+](CCn3ccnc3)C2)c1 ZINC000285251882 188385236 /nfs/dbraw/zinc/38/52/36/188385236.db2.gz HFNHDXAZVPGFJV-UHFFFAOYSA-N 2 1 243.310 2.265 20 0 BEADMP [NH3+][C@H](C[NH2+][C@@H](c1cccnc1)C1CCC1)C1CC1 ZINC000571669589 353493363 /nfs/dbraw/zinc/49/33/63/353493363.db2.gz CJPZVXGRNMJDAK-HUUCEWRRSA-N 2 1 245.370 2.250 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccsc3)C[C@@H]21 ZINC000230126783 353473442 /nfs/dbraw/zinc/47/34/42/353473442.db2.gz XBSFAUXONVIAPO-RWMBFGLXSA-N 2 1 236.384 2.307 20 0 BEADMP CC[C@@](C)(C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)OC ZINC000639106206 353621589 /nfs/dbraw/zinc/62/15/89/353621589.db2.gz XBUPFOKVWHUAPX-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP CC[C@H](C)C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000227193147 491055901 /nfs/dbraw/zinc/05/59/01/491055901.db2.gz XMHJMOOAPNVLBD-QWHCGFSZSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000227193147 491055903 /nfs/dbraw/zinc/05/59/03/491055903.db2.gz XMHJMOOAPNVLBD-QWHCGFSZSA-N 2 1 212.381 2.495 20 0 BEADMP c1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c[nH]1 ZINC000343744667 353970008 /nfs/dbraw/zinc/97/00/08/353970008.db2.gz XWEDNQNUKLACKD-UHFFFAOYSA-N 2 1 233.359 2.121 20 0 BEADMP C[C@H]1CC[C@H](C[NH2+]C2CC[NH+](C)CC2)C1 ZINC000230412782 363310395 /nfs/dbraw/zinc/31/03/95/363310395.db2.gz LSBVDMYJUCEHTF-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1CCC[C@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000230665698 363318640 /nfs/dbraw/zinc/31/86/40/363318640.db2.gz PVASBNATTFWUEZ-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CC(F)(F)C1 ZINC000529548277 324336672 /nfs/dbraw/zinc/33/66/72/324336672.db2.gz KFQZUIFTMAEQBX-QWRGUYRKSA-N 2 1 246.345 2.352 20 0 BEADMP CCCC[C@H](COC)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344281013 354200810 /nfs/dbraw/zinc/20/08/10/354200810.db2.gz ABKJBSMKRUYMPN-CQSZACIVSA-N 2 1 240.391 2.043 20 0 BEADMP C[C@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CCC1(F)F ZINC000334685094 354431192 /nfs/dbraw/zinc/43/11/92/354431192.db2.gz VNEDBJLLOZSNGF-NWDGAFQWSA-N 2 1 246.345 2.448 20 0 BEADMP C[C@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CCC1(F)F ZINC000334685094 354431195 /nfs/dbraw/zinc/43/11/95/354431195.db2.gz VNEDBJLLOZSNGF-NWDGAFQWSA-N 2 1 246.345 2.448 20 0 BEADMP C[C@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CCC1(F)F ZINC000334685094 354431199 /nfs/dbraw/zinc/43/11/99/354431199.db2.gz VNEDBJLLOZSNGF-NWDGAFQWSA-N 2 1 246.345 2.448 20 0 BEADMP c1nc2c([nH]1)CC[C@H]([NH2+]C1CC3(CCC3)C1)C2 ZINC000334646625 354436625 /nfs/dbraw/zinc/43/66/25/354436625.db2.gz MAFQIHLLTXXUEK-JTQLQIEISA-N 2 1 231.343 2.189 20 0 BEADMP CCCC[N@@H+](CC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000232959871 363389549 /nfs/dbraw/zinc/38/95/49/363389549.db2.gz VPMCHYHOFSVVDF-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP CC(C[NH+](C)CC1CC1)C[N@@H+](C)CC1CC1 ZINC000346434442 354933870 /nfs/dbraw/zinc/93/38/70/354933870.db2.gz SPVZEDKXYDSAIV-UHFFFAOYSA-N 2 1 224.392 2.306 20 0 BEADMP C1CC2(CCCC2)[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000335177541 354947357 /nfs/dbraw/zinc/94/73/57/354947357.db2.gz IRNSGHPRAMGQNC-NEPJUHHUSA-N 2 1 208.349 2.051 20 0 BEADMP Cc1ccncc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000335177665 354947644 /nfs/dbraw/zinc/94/76/44/354947644.db2.gz KITLVIWMKHEEBK-KBPBESRZSA-N 2 1 233.359 2.140 20 0 BEADMP C[C@H](C[NH+]1CC[C@@H](C)C1)C[N@H+]1CC[C@H](C)C1 ZINC000346638022 355015613 /nfs/dbraw/zinc/01/56/13/355015613.db2.gz GKFVRKBZCKOGFZ-BTTYYORXSA-N 2 1 224.392 2.306 20 0 BEADMP C[C@@H](C[NH+]1CC[C@H](C)C1)C[N@@H+]1CC[C@@H](C)C1 ZINC000346638022 355015614 /nfs/dbraw/zinc/01/56/14/355015614.db2.gz GKFVRKBZCKOGFZ-BTTYYORXSA-N 2 1 224.392 2.306 20 0 BEADMP C[C@@H](C[NH+]1CC[C@H](C)C1)C[N@H+]1CC[C@@H](C)C1 ZINC000346638022 355015615 /nfs/dbraw/zinc/01/56/15/355015615.db2.gz GKFVRKBZCKOGFZ-BTTYYORXSA-N 2 1 224.392 2.306 20 0 BEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccs1 ZINC000335217868 355056613 /nfs/dbraw/zinc/05/66/13/355056613.db2.gz MDHNVSLRAMQJGP-NEPJUHHUSA-N 2 1 224.373 2.498 20 0 BEADMP C[C@H]([NH2+][C@H]1CCCOc2ccccc21)C1C[NH2+]C1 ZINC000335240704 355145661 /nfs/dbraw/zinc/14/56/61/355145661.db2.gz NNUNCWKCJBZMGS-FZMZJTMJSA-N 2 1 246.354 2.098 20 0 BEADMP CC[C@@]1(C)CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346977889 355211487 /nfs/dbraw/zinc/21/14/87/355211487.db2.gz NECZOWBPQOIPNF-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H]2CCCC[C@H]12 ZINC000347008693 355202296 /nfs/dbraw/zinc/20/22/96/355202296.db2.gz RVOZTYNRKJMBFL-TUVASFSCSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H]2CCCC[C@@H]12 ZINC000347008691 355202883 /nfs/dbraw/zinc/20/28/83/355202883.db2.gz RVOZTYNRKJMBFL-KBXIAJHMSA-N 2 1 236.403 2.497 20 0 BEADMP C[N@@H+](CCCC[NH2+]CCC[C@@H]1CCO1)C1CC1 ZINC000639244131 355230640 /nfs/dbraw/zinc/23/06/40/355230640.db2.gz GZYCBEIIAFBCND-CQSZACIVSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH2+]CC2 ZINC000335280251 355244545 /nfs/dbraw/zinc/24/45/45/355244545.db2.gz LEQHCFKWNLKILQ-CYBMUJFWSA-N 2 1 245.370 2.046 20 0 BEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CC1(F)F ZINC000639257182 355301942 /nfs/dbraw/zinc/30/19/42/355301942.db2.gz JYTZGNILVMPYGV-TUAOUCFPSA-N 2 1 246.345 2.352 20 0 BEADMP CC[C@@](C)(C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)OC ZINC000639258126 355305126 /nfs/dbraw/zinc/30/51/26/355305126.db2.gz ZWRVMHPHBFYMFM-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccoc1C ZINC000414293721 191484136 /nfs/dbraw/zinc/48/41/36/191484136.db2.gz PTOXZVDYOKYJSF-UHFFFAOYSA-N 2 1 233.315 2.273 20 0 BEADMP CCc1ccc(C[NH2+]CCC[NH+]2CCC2)s1 ZINC000583574563 355656536 /nfs/dbraw/zinc/65/65/36/355656536.db2.gz CVRLICKXUJEXCC-UHFFFAOYSA-N 2 1 238.400 2.496 20 0 BEADMP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]CCC[C@H]2CCO2)C1 ZINC000639305354 355667599 /nfs/dbraw/zinc/66/75/99/355667599.db2.gz PPBNEOGFOHCYDL-STQMWFEESA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)(C)[N@H+]1CC[C@H]([NH2+]CCC[C@H]2CCO2)C1 ZINC000639305354 355667600 /nfs/dbraw/zinc/66/76/00/355667600.db2.gz PPBNEOGFOHCYDL-STQMWFEESA-N 2 1 240.391 2.018 20 0 BEADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3C=CCCC3)C2)C1 ZINC000335887761 355679654 /nfs/dbraw/zinc/67/96/54/355679654.db2.gz CFBLXFVFIGLAGK-UONOGXRCSA-N 2 1 220.360 2.123 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3C=CCCC3)C2)C1 ZINC000335887761 355679656 /nfs/dbraw/zinc/67/96/56/355679656.db2.gz CFBLXFVFIGLAGK-UONOGXRCSA-N 2 1 220.360 2.123 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3C=CCCC3)C2)C1 ZINC000335887761 355679658 /nfs/dbraw/zinc/67/96/58/355679658.db2.gz CFBLXFVFIGLAGK-UONOGXRCSA-N 2 1 220.360 2.123 20 0 BEADMP c1nc2c([nH]1)CC[C@H]([NH2+][C@H]1CCC13CCC3)C2 ZINC000336003071 134048250 /nfs/dbraw/zinc/04/82/50/134048250.db2.gz OTIDYXKKXMOUKO-GWCFXTLKSA-N 2 1 231.343 2.189 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CS1 ZINC000639346600 355793177 /nfs/dbraw/zinc/79/31/77/355793177.db2.gz HMKUZJWSOYHEFS-JHJVBQTASA-N 2 1 242.432 2.202 20 0 BEADMP CC(C)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000070585061 535291139 /nfs/dbraw/zinc/29/11/39/535291139.db2.gz GNMVXKDTDOLFDE-ZDUSSCGKSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000070585061 535291142 /nfs/dbraw/zinc/29/11/42/535291142.db2.gz GNMVXKDTDOLFDE-ZDUSSCGKSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000166718317 355831691 /nfs/dbraw/zinc/83/16/91/355831691.db2.gz DYOKXNYRPWMRNI-UPJWGTAASA-N 2 1 224.392 2.352 20 0 BEADMP C[C@H](CC[N@H+]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000216161097 355911220 /nfs/dbraw/zinc/91/12/20/355911220.db2.gz KRYJPHUVKDNLFB-KGLIPLIRSA-N 2 1 232.371 2.461 20 0 BEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C/C=C/c1ccccc1 ZINC000216193636 355925834 /nfs/dbraw/zinc/92/58/34/355925834.db2.gz FLAIQOKFGJKICM-IEOKHJKGSA-N 2 1 230.355 2.369 20 0 BEADMP C[C@@H]1C[C@H]([NH+](C)CC2(C)CC2)CC[N@@H+]1C ZINC000582217393 355937667 /nfs/dbraw/zinc/93/76/67/355937667.db2.gz WTOBODGJVIAACU-VXGBXAGGSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@H]([NH+](C)CC2(C)CC2)CC[N@H+]1C ZINC000582217393 355937672 /nfs/dbraw/zinc/93/76/72/355937672.db2.gz WTOBODGJVIAACU-VXGBXAGGSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@H]([N@H+](C)CC2(C)CC2)CC[NH+]1C ZINC000582217393 355937675 /nfs/dbraw/zinc/93/76/75/355937675.db2.gz WTOBODGJVIAACU-VXGBXAGGSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+](C)CC2(C)CC2)CC[NH+]1C ZINC000582217393 355937680 /nfs/dbraw/zinc/93/76/80/355937680.db2.gz WTOBODGJVIAACU-VXGBXAGGSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000351471955 355996561 /nfs/dbraw/zinc/99/65/61/355996561.db2.gz NIIQRMBMUPKVHS-YRGRVCCFSA-N 2 1 232.327 2.191 20 0 BEADMP Cc1ccc(CC[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000351861980 356099544 /nfs/dbraw/zinc/09/95/44/356099544.db2.gz MRYFCJPGDDJQNY-UKRRQHHQSA-N 2 1 232.371 2.207 20 0 BEADMP CCc1ccc(CC[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000351861576 356099798 /nfs/dbraw/zinc/09/97/98/356099798.db2.gz KRIDWAGZXOIVOM-XJKSGUPXSA-N 2 1 246.398 2.461 20 0 BEADMP C[N@@H+](CCCc1ccsc1)C1CC[NH2+]CC1 ZINC000420264572 192191512 /nfs/dbraw/zinc/19/15/12/192191512.db2.gz APFHZNNIOVRRQV-UHFFFAOYSA-N 2 1 238.400 2.365 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCCc2ccncc2)C1 ZINC000420292674 192203630 /nfs/dbraw/zinc/20/36/30/192203630.db2.gz PVJXNQJUOOGUTD-DZGCQCFKSA-N 2 1 247.386 2.073 20 0 BEADMP CCSCC[C@H](C)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420298867 192204345 /nfs/dbraw/zinc/20/43/45/192204345.db2.gz IDIZKAKTRIBOOS-STQMWFEESA-N 2 1 244.448 2.450 20 0 BEADMP C[C@H](c1cccc(O)c1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420296021 192204514 /nfs/dbraw/zinc/20/45/14/192204514.db2.gz CVTSRNJMUXOYCM-OLZOCXBDSA-N 2 1 248.370 2.385 20 0 BEADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000420297420 192204659 /nfs/dbraw/zinc/20/46/59/192204659.db2.gz DIIBBELAXOBEGU-HIFRSBDPSA-N 2 1 232.371 2.431 20 0 BEADMP CCSCC[C@@H](C)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420298865 192204684 /nfs/dbraw/zinc/20/46/84/192204684.db2.gz IDIZKAKTRIBOOS-OLZOCXBDSA-N 2 1 244.448 2.450 20 0 BEADMP C[C@@H]([NH3+])C[N@H+]1CCCC2(CCCCC2)C1 ZINC000420298795 192204756 /nfs/dbraw/zinc/20/47/56/192204756.db2.gz HUTGDDYGRABUIM-GFCCVEGCSA-N 2 1 210.365 2.380 20 0 BEADMP Cc1ccc(C[C@@H]2CCC[N@@H+]2C[C@H](C)[NH3+])cc1 ZINC000420298202 192205640 /nfs/dbraw/zinc/20/56/40/192205640.db2.gz GZTWYGZGJVVCHT-ZFWWWQNUSA-N 2 1 232.371 2.349 20 0 BEADMP C[C@@H](C1CC1)[N@@H+](CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000420300000 192207149 /nfs/dbraw/zinc/20/71/49/192207149.db2.gz GYGXXYQIUXBBIK-NWDGAFQWSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H](C1CC1)[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000420300001 192207207 /nfs/dbraw/zinc/20/72/07/192207207.db2.gz GYGXXYQIUXBBIK-RYUDHWBXSA-N 2 1 222.376 2.249 20 0 BEADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)C2CCC2)cc1 ZINC000420295637 192202710 /nfs/dbraw/zinc/20/27/10/192202710.db2.gz CHSTUIUBPYBLBT-ZDUSSCGKSA-N 2 1 248.370 2.222 20 0 BEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCc1ccsc1 ZINC000420316217 192213255 /nfs/dbraw/zinc/21/32/55/192213255.db2.gz LTTGZTURKISMBO-AAEUAGOBSA-N 2 1 238.400 2.350 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000420310952 192210679 /nfs/dbraw/zinc/21/06/79/192210679.db2.gz VMAGIFXIGLEBBK-GZBFAFLISA-N 2 1 232.371 2.287 20 0 BEADMP CCc1cccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000420317228 192212233 /nfs/dbraw/zinc/21/22/33/192212233.db2.gz MRSUGQPYIOETSF-SWLSCSKDSA-N 2 1 232.371 2.418 20 0 BEADMP CCc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000420314913 192212288 /nfs/dbraw/zinc/21/22/88/192212288.db2.gz LRGRCELNJNUTQJ-HZPDHXFCSA-N 2 1 244.382 2.290 20 0 BEADMP CC[C@@]1(C)CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420313588 192212348 /nfs/dbraw/zinc/21/23/48/192212348.db2.gz YDEUDSHVFBQQLP-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(OC)cc1 ZINC000420368656 192226044 /nfs/dbraw/zinc/22/60/44/192226044.db2.gz ICCVTUMRJRMIBU-ZWNOBZJWSA-N 2 1 222.332 2.083 20 0 BEADMP CC[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(OC)cc1 ZINC000420368651 192226117 /nfs/dbraw/zinc/22/61/17/192226117.db2.gz ICCVTUMRJRMIBU-GXFFZTMASA-N 2 1 222.332 2.083 20 0 BEADMP CC[C@H]([NH2+]C[C@H](C)[NH3+])c1ccc(OC)cc1 ZINC000420368649 192226376 /nfs/dbraw/zinc/22/63/76/192226376.db2.gz ICCVTUMRJRMIBU-GWCFXTLKSA-N 2 1 222.332 2.083 20 0 BEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCCCF ZINC000420369225 192226486 /nfs/dbraw/zinc/22/64/86/192226486.db2.gz UTTKGDIIJGZLHX-SNVBAGLBSA-N 2 1 204.333 2.089 20 0 BEADMP Cc1cc([C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)on1 ZINC000420326819 192229906 /nfs/dbraw/zinc/22/99/06/192229906.db2.gz XVHBZAZAYFFEOZ-CHWSQXEVSA-N 2 1 249.358 2.120 20 0 BEADMP CCCCOCC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420372652 192230468 /nfs/dbraw/zinc/23/04/68/192230468.db2.gz QHUTXRGGUISXIN-AWEZNQCLSA-N 2 1 242.407 2.300 20 0 BEADMP C[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@@H]1[NH3+] ZINC000420357180 192220509 /nfs/dbraw/zinc/22/05/09/192220509.db2.gz DKQXESNQSFZKNR-YPMHNXCESA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]1CCCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420364046 192224347 /nfs/dbraw/zinc/22/43/47/192224347.db2.gz CLTBCXGPIAAXRB-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP C[NH2+]CCC[N@@H+](CCc1nccs1)C(C)C ZINC000420363602 192224763 /nfs/dbraw/zinc/22/47/63/192224763.db2.gz PNVUDFJLVZBPIB-UHFFFAOYSA-N 2 1 241.404 2.006 20 0 BEADMP CCC(C)(C)CC[N@@H+](C)CCC[NH2+]C ZINC000420382484 192235469 /nfs/dbraw/zinc/23/54/69/192235469.db2.gz ANNPTKIPIGUGRB-UHFFFAOYSA-N 2 1 200.370 2.354 20 0 BEADMP [NH3+]CC[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000420392458 192237468 /nfs/dbraw/zinc/23/74/68/192237468.db2.gz BNFBQJFAKYRQQM-CABCVRRESA-N 2 1 232.371 2.336 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1cccc(F)c1F ZINC000420409308 192239088 /nfs/dbraw/zinc/23/90/88/192239088.db2.gz QLDGAYBAALHYLT-UWVGGRQHSA-N 2 1 240.297 2.225 20 0 BEADMP Cc1scc(C[NH2+]CCc2c[nH+]cn2C)c1C ZINC000631180268 356422189 /nfs/dbraw/zinc/42/21/89/356422189.db2.gz PHZRHAXICQUBDV-UHFFFAOYSA-N 2 1 249.383 2.431 20 0 BEADMP C[C@H]1CCCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000420376324 192231532 /nfs/dbraw/zinc/23/15/32/192231532.db2.gz QKWCKFSRVMRTLO-ZDUSSCGKSA-N 2 1 224.392 2.498 20 0 BEADMP Cc1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)c(C)n1 ZINC000420373405 192232141 /nfs/dbraw/zinc/23/21/41/192232141.db2.gz ZBNKLGCUXWVNSO-CYBMUJFWSA-N 2 1 235.375 2.161 20 0 BEADMP [NH3+]C[C@@H]([NH2+]CC[C@H]1CCCO1)C1CCCCC1 ZINC000420381167 192233812 /nfs/dbraw/zinc/23/38/12/192233812.db2.gz YYGSPAPOVZAERE-ZIAGYGMSSA-N 2 1 240.391 2.053 20 0 BEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nc(C2CC2)cs1 ZINC000422925276 192508889 /nfs/dbraw/zinc/50/88/89/192508889.db2.gz ATYOXTCTMMBGSH-DTWKUNHWSA-N 2 1 239.388 2.236 20 0 BEADMP C[C@H]1C[C@@H]1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639685932 356601697 /nfs/dbraw/zinc/60/16/97/356601697.db2.gz ZEQBKHTXIBPSGD-UONOGXRCSA-N 2 1 245.370 2.250 20 0 BEADMP CCC(CC)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044535271 538466001 /nfs/dbraw/zinc/46/60/01/538466001.db2.gz DWGVKRYHPCDLEX-ZDUSSCGKSA-N 2 1 212.381 2.354 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC12CCCC2)[C@@H]1CCC[NH2+]1 ZINC000423075354 192559629 /nfs/dbraw/zinc/55/96/29/192559629.db2.gz OGLNIVZLJCSARS-GRYCIOLGSA-N 2 1 208.349 2.049 20 0 BEADMP CC[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756257 356660762 /nfs/dbraw/zinc/66/07/62/356660762.db2.gz TUHJPGNBXDDEOM-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP CC(C)C[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000216552784 134150904 /nfs/dbraw/zinc/15/09/04/134150904.db2.gz JRFUGOVQXMBRCH-CHWSQXEVSA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)C[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000216552784 134150905 /nfs/dbraw/zinc/15/09/05/134150905.db2.gz JRFUGOVQXMBRCH-CHWSQXEVSA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)=CC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755210 356658515 /nfs/dbraw/zinc/65/85/15/356658515.db2.gz HYRBCLISEILZET-UHFFFAOYSA-N 2 1 222.376 2.370 20 0 BEADMP CCc1cc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc[nH+]1 ZINC000450417372 202161058 /nfs/dbraw/zinc/16/10/58/202161058.db2.gz JGOJAWVAXMYLPT-NEPJUHHUSA-N 2 1 233.359 2.173 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccco2)CC1(C)C ZINC000623338585 356734431 /nfs/dbraw/zinc/73/44/31/356734431.db2.gz HIAVSTBRMZSYSD-GFCCVEGCSA-N 2 1 236.359 2.285 20 0 BEADMP CCc1cc(N2CC[N@H+](CC)C[C@H]2C)cc[nH+]1 ZINC000450533121 202190822 /nfs/dbraw/zinc/19/08/22/202190822.db2.gz ZJFGJVNVPKPYEB-GFCCVEGCSA-N 2 1 233.359 2.174 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](COC)CC(C)C)CC1 ZINC000359521416 356890578 /nfs/dbraw/zinc/89/05/78/356890578.db2.gz CXZGTHGIHBSGPT-CQSZACIVSA-N 2 1 242.407 2.121 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C)CC1(C)C ZINC000623374621 356890772 /nfs/dbraw/zinc/89/07/72/356890772.db2.gz IBRSDAPKFHWFCA-LLVKDONJSA-N 2 1 212.381 2.495 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C)CC1(C)C ZINC000623374622 356891006 /nfs/dbraw/zinc/89/10/06/356891006.db2.gz IBRSDAPKFHWFCA-NSHDSACASA-N 2 1 212.381 2.495 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)Cc2ccoc2)CC1 ZINC000359966038 356898814 /nfs/dbraw/zinc/89/88/14/356898814.db2.gz JEEFHRKQTOYGGL-GFCCVEGCSA-N 2 1 236.359 2.285 20 0 BEADMP C[NH2+]CC[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000423222485 192633388 /nfs/dbraw/zinc/63/33/88/192633388.db2.gz BGODMHYNRYOMIM-VXGBXAGGSA-N 2 1 212.381 2.400 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCCCCC1 ZINC000389754969 357026504 /nfs/dbraw/zinc/02/65/04/357026504.db2.gz OOMBSBQYECPAOT-AAEUAGOBSA-N 2 1 210.365 2.297 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000304584639 357169732 /nfs/dbraw/zinc/16/97/32/357169732.db2.gz ONWAJBXVDWSEJR-KWCYVHTRSA-N 2 1 222.376 2.249 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423271367 192665283 /nfs/dbraw/zinc/66/52/83/192665283.db2.gz HGIQNDHIJRQOOD-FZMZJTMJSA-N 2 1 218.344 2.383 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)F)[C@@H](C)C1 ZINC000631659598 357189758 /nfs/dbraw/zinc/18/97/58/357189758.db2.gz RZNPZROMJYUSDJ-QWRGUYRKSA-N 2 1 216.344 2.054 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)F)[C@@H](C)C1 ZINC000631659598 357189759 /nfs/dbraw/zinc/18/97/59/357189759.db2.gz RZNPZROMJYUSDJ-QWRGUYRKSA-N 2 1 216.344 2.054 20 0 BEADMP Cc1ccncc1[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423284479 192676415 /nfs/dbraw/zinc/67/64/15/192676415.db2.gz YBKVWTFQOWNXBZ-WCQYABFASA-N 2 1 221.348 2.024 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000347032439 134196315 /nfs/dbraw/zinc/19/63/15/134196315.db2.gz ABIDRIJWUOFBGV-MCIONIFRSA-N 2 1 224.392 2.483 20 0 BEADMP C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000393406648 357308337 /nfs/dbraw/zinc/30/83/37/357308337.db2.gz VRZFRUNDYHTOSD-AIEDFZFUSA-N 2 1 234.387 2.391 20 0 BEADMP C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000393406648 357308342 /nfs/dbraw/zinc/30/83/42/357308342.db2.gz VRZFRUNDYHTOSD-AIEDFZFUSA-N 2 1 234.387 2.391 20 0 BEADMP CC1(C)CCC[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000582606259 357349184 /nfs/dbraw/zinc/34/91/84/357349184.db2.gz LSFGOOQRUQKHMI-MELADBBJSA-N 2 1 236.403 2.354 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+]C1CCC(COC)CC1 ZINC000423298144 192687943 /nfs/dbraw/zinc/68/79/43/192687943.db2.gz NILGKVXGECMMRC-JXQTWKCFSA-N 2 1 242.407 2.299 20 0 BEADMP C[C@@H]1Cc2[nH+]cn(CC[C@@H]3CC[NH2+]C3)c2C[C@H]1C ZINC000395776202 357455789 /nfs/dbraw/zinc/45/57/89/357455789.db2.gz AKKUMOAFQNUJHU-UPJWGTAASA-N 2 1 247.386 2.254 20 0 BEADMP CCC[N@H+](CC)CC[NH2+]C1CCC(OC)CC1 ZINC000230390391 357532997 /nfs/dbraw/zinc/53/29/97/357532997.db2.gz CZZLAPCMNKARHO-UHFFFAOYSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+]C1CCC(OC)CC1 ZINC000230390391 357533000 /nfs/dbraw/zinc/53/30/00/357533000.db2.gz CZZLAPCMNKARHO-UHFFFAOYSA-N 2 1 242.407 2.266 20 0 BEADMP CCCCOCC[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000063196404 357593575 /nfs/dbraw/zinc/59/35/75/357593575.db2.gz NZMIFGFGABLXBG-CHWSQXEVSA-N 2 1 228.380 2.005 20 0 BEADMP CCCCOCC[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000063196404 357593578 /nfs/dbraw/zinc/59/35/78/357593578.db2.gz NZMIFGFGABLXBG-CHWSQXEVSA-N 2 1 228.380 2.005 20 0 BEADMP CCC[C@@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000233279902 357713224 /nfs/dbraw/zinc/71/32/24/357713224.db2.gz PXURGXIRVGYKBF-CYBMUJFWSA-N 2 1 235.375 2.340 20 0 BEADMP Cc1c[nH+]ccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000192693980 357847841 /nfs/dbraw/zinc/84/78/41/357847841.db2.gz XXQOSNDLFQQKDO-UKRRQHHQSA-N 2 1 245.370 2.311 20 0 BEADMP CCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000193014942 357864267 /nfs/dbraw/zinc/86/42/67/357864267.db2.gz YQDYTRVEAOGWOK-YHWZYXNKSA-N 2 1 222.376 2.391 20 0 BEADMP CC[NH+]1CCC([NH2+]C2C(C)(C)C2(C)C)CC1 ZINC000086239582 357874877 /nfs/dbraw/zinc/87/48/77/357874877.db2.gz VVCCQQUNQMKWLE-UHFFFAOYSA-N 2 1 224.392 2.495 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cn1 ZINC000584463915 357981159 /nfs/dbraw/zinc/98/11/59/357981159.db2.gz SILDODISVKSDPW-ZFWWWQNUSA-N 2 1 247.386 2.053 20 0 BEADMP CCc1ccc(C[NH+]2CCC([NH3+])CC2)s1 ZINC000036754293 358047662 /nfs/dbraw/zinc/04/76/62/358047662.db2.gz PRZBDEIAYANAEV-UHFFFAOYSA-N 2 1 224.373 2.234 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000217464335 134246813 /nfs/dbraw/zinc/24/68/13/134246813.db2.gz BKOLLYXTMPGIGK-SWLSCSKDSA-N 2 1 232.371 2.418 20 0 BEADMP C([NH2+]C(C1CC1)C1CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649099 358084990 /nfs/dbraw/zinc/08/49/90/358084990.db2.gz CYYXPSSBTUHCMK-NSHDSACASA-N 2 1 234.387 2.249 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)(F)CC1 ZINC000640071275 358154648 /nfs/dbraw/zinc/15/46/48/358154648.db2.gz HNOVTVLYOYJMPR-LBPRGKRZSA-N 2 1 228.355 2.295 20 0 BEADMP Cc1csc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000223023450 358214135 /nfs/dbraw/zinc/21/41/35/358214135.db2.gz VVAJEVPTIRXYPC-HBNTYKKESA-N 2 1 239.388 2.372 20 0 BEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000040621927 358243357 /nfs/dbraw/zinc/24/33/57/358243357.db2.gz DXYQXIPJMSNIGI-AWEZNQCLSA-N 2 1 248.370 2.212 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000040621927 358243360 /nfs/dbraw/zinc/24/33/60/358243360.db2.gz DXYQXIPJMSNIGI-AWEZNQCLSA-N 2 1 248.370 2.212 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000226878794 358346984 /nfs/dbraw/zinc/34/69/84/358346984.db2.gz OGAWICBJXCBKIG-OCCSQVGLSA-N 2 1 218.344 2.307 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000227057429 358347572 /nfs/dbraw/zinc/34/75/72/358347572.db2.gz BPPVLRLHXLUTFQ-GWCFXTLKSA-N 2 1 238.400 2.480 20 0 BEADMP CC(C)[N@@H+](CCC1CC[NH2+]CC1)CC1CC1 ZINC000042593581 358353455 /nfs/dbraw/zinc/35/34/55/358353455.db2.gz NCHPUNQWMRYALD-UHFFFAOYSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)[N@@H+](CC1CC1)C[C@@H]1CCC[NH2+]C1 ZINC000042593607 358353644 /nfs/dbraw/zinc/35/36/44/358353644.db2.gz SUEKWZJFSZJLIO-CYBMUJFWSA-N 2 1 210.365 2.106 20 0 BEADMP CCC[NH+]1CCC([NH2+]Cc2ccncc2C)CC1 ZINC000228662708 358382478 /nfs/dbraw/zinc/38/24/78/358382478.db2.gz YSQFEKFXPFQCFQ-UHFFFAOYSA-N 2 1 247.386 2.354 20 0 BEADMP C[C@H]([N@@H+](C)CC1CC[NH2+]CC1)C(C)(C)C ZINC000042781587 358358421 /nfs/dbraw/zinc/35/84/21/358358421.db2.gz QCLXCKZQVKZXSR-NSHDSACASA-N 2 1 212.381 2.352 20 0 BEADMP CSCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173882851 134278241 /nfs/dbraw/zinc/27/82/41/134278241.db2.gz NZZOJRJDINFNLV-CYBMUJFWSA-N 2 1 242.432 2.157 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(O)c1 ZINC000044534559 358389978 /nfs/dbraw/zinc/38/99/78/358389978.db2.gz ZXDUYUYVSOILOH-STQMWFEESA-N 2 1 248.370 2.385 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000044535028 358390140 /nfs/dbraw/zinc/39/01/40/358390140.db2.gz IUUHDEBWQKNNHR-CHWSQXEVSA-N 2 1 233.359 2.074 20 0 BEADMP CSCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000173786609 134277652 /nfs/dbraw/zinc/27/76/52/134277652.db2.gz DMLIDCUXROEJKB-CYBMUJFWSA-N 2 1 242.432 2.157 20 0 BEADMP CC(C)CSCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000131530349 358680501 /nfs/dbraw/zinc/68/05/01/358680501.db2.gz XIZBWKOUULTOOD-OLZOCXBDSA-N 2 1 244.448 2.305 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCCC(F)(F)F)CC[N@H+]1C ZINC000132334660 358719574 /nfs/dbraw/zinc/71/95/74/358719574.db2.gz KESZLUBLUSPBQK-ZJUUUORDSA-N 2 1 238.297 2.401 20 0 BEADMP CC(C)[NH+]1CCC([NH2+]CCC(F)(F)F)CC1 ZINC000059313340 358918812 /nfs/dbraw/zinc/91/88/12/358918812.db2.gz HXAFJDJDVZGOCL-UHFFFAOYSA-N 2 1 238.297 2.401 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000396638411 358941267 /nfs/dbraw/zinc/94/12/67/358941267.db2.gz HFHSFEFSUZTZIA-RCBQFDQVSA-N 2 1 244.382 2.274 20 0 BEADMP CCC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccnc1 ZINC000423313302 192698730 /nfs/dbraw/zinc/69/87/30/192698730.db2.gz FKPXKDOXYJIXQH-KBPBESRZSA-N 2 1 233.359 2.250 20 0 BEADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)C ZINC000247136563 359196743 /nfs/dbraw/zinc/19/67/43/359196743.db2.gz QPQOCXBSLAJZDJ-FRRDWIJNSA-N 2 1 242.407 2.120 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCCCCOC)[C@@H](C)C1 ZINC000246940789 359176068 /nfs/dbraw/zinc/17/60/68/359176068.db2.gz HQKOAIOWVOXRMZ-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCCOC)C1 ZINC000247160928 359198305 /nfs/dbraw/zinc/19/83/05/359198305.db2.gz UDVZLZPBVDDEOP-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP CC1CC([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623439114 359331895 /nfs/dbraw/zinc/33/18/95/359331895.db2.gz WVCKQTGEJKPUTM-CXQJBGSLSA-N 2 1 210.365 2.247 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]C2CC(C)C2)[C@H](C)C1 ZINC000130382291 359693561 /nfs/dbraw/zinc/69/35/61/359693561.db2.gz ZITIMHXPCDOWNA-POOIEITISA-N 2 1 210.365 2.105 20 0 BEADMP CCC(=O)CCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000450852429 202290670 /nfs/dbraw/zinc/29/06/70/202290670.db2.gz FLAUGOCDYCMKDK-CYBMUJFWSA-N 2 1 240.391 2.162 20 0 BEADMP CC[C@@H](COC)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164229 359939706 /nfs/dbraw/zinc/93/97/06/359939706.db2.gz RZPJPGUREFEPIF-FUDCBSFHSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@@H](COC)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164229 359939709 /nfs/dbraw/zinc/93/97/09/359939709.db2.gz RZPJPGUREFEPIF-FUDCBSFHSA-N 2 1 240.391 2.016 20 0 BEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CSC2)C1 ZINC000309360468 491147491 /nfs/dbraw/zinc/14/74/91/491147491.db2.gz OOKKLHZARDAKRR-LBPRGKRZSA-N 2 1 242.432 2.059 20 0 BEADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccnc1 ZINC000091266444 360110425 /nfs/dbraw/zinc/11/04/25/360110425.db2.gz SCKIRRSJPBRTKG-OAHLLOKOSA-N 2 1 247.386 2.463 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000095015555 360331353 /nfs/dbraw/zinc/33/13/53/360331353.db2.gz OUXRQVDXXIDWEB-SYQHCUMBSA-N 2 1 222.376 2.391 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccccc1 ZINC000060312879 360441725 /nfs/dbraw/zinc/44/17/25/360441725.db2.gz OBXAXRFOVLKKBM-UHFFFAOYSA-N 2 1 229.327 2.371 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC000623481306 360443347 /nfs/dbraw/zinc/44/33/47/360443347.db2.gz ZLLZYFCKQAVUSA-AGIUHOORSA-N 2 1 240.391 2.016 20 0 BEADMP CC(C)[C@H](C)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000051919023 200712372 /nfs/dbraw/zinc/71/23/72/200712372.db2.gz ILCLDUCLYHAHAE-STQMWFEESA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414665781 200757735 /nfs/dbraw/zinc/75/77/35/200757735.db2.gz VXUYPEYEBPPIFM-OJLVUWQFSA-N 2 1 244.382 2.459 20 0 BEADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)Cc1ccccc1 ZINC000414922968 200782154 /nfs/dbraw/zinc/78/21/54/200782154.db2.gz GPHDQXSXADLLOA-SQWLQELKSA-N 2 1 246.398 2.453 20 0 BEADMP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H](C)S1 ZINC000069910108 361018025 /nfs/dbraw/zinc/01/80/25/361018025.db2.gz SNRBWXQYTPMIJT-TXEJJXNPSA-N 2 1 242.432 2.202 20 0 BEADMP CC[C@@H]1[NH2+]CC[C@H]1Nc1cc[nH+]c2ccsc21 ZINC000629379690 361029117 /nfs/dbraw/zinc/02/91/17/361029117.db2.gz HJSMKWXJIZCVHG-VHSXEESVSA-N 2 1 247.367 2.271 20 0 BEADMP CC[C@@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C1CC1 ZINC000166324530 200844019 /nfs/dbraw/zinc/84/40/19/200844019.db2.gz CFKMIRVWOIUUAP-CHWSQXEVSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H](Cc1cccs1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629406404 361053546 /nfs/dbraw/zinc/05/35/46/361053546.db2.gz MWIVRPUXWWCGKT-JBLDHEPKSA-N 2 1 224.373 2.019 20 0 BEADMP C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629407072 361054737 /nfs/dbraw/zinc/05/47/37/361054737.db2.gz WKHGEHLHGDBWGZ-KCQAQPDRSA-N 2 1 232.371 2.348 20 0 BEADMP CC[C@@H](Cc1cccs1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000629409178 361058429 /nfs/dbraw/zinc/05/84/29/361058429.db2.gz AKDZHEDOUHJVBZ-WDEREUQCSA-N 2 1 224.373 2.021 20 0 BEADMP c1ccc([C@H]2CCC[C@H]2[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000629409822 361059230 /nfs/dbraw/zinc/05/92/30/361059230.db2.gz OPINMGUHHSZUAD-RBSFLKMASA-N 2 1 230.355 2.274 20 0 BEADMP C[C@@H](CC1CCC1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629410504 361059629 /nfs/dbraw/zinc/05/96/29/361059629.db2.gz FWKMWWUYEWKQIP-NTZNESFSSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@@H](CC1CCC1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629410502 361059758 /nfs/dbraw/zinc/05/97/58/361059758.db2.gz FWKMWWUYEWKQIP-MDZLAQPJSA-N 2 1 210.365 2.295 20 0 BEADMP CCCC[C@@H](COC)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000629521595 361117968 /nfs/dbraw/zinc/11/79/68/361117968.db2.gz VTDVVZZIXYIBGB-STQMWFEESA-N 2 1 240.391 2.066 20 0 BEADMP CCC[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)OCC ZINC000629515887 361110162 /nfs/dbraw/zinc/11/01/62/361110162.db2.gz VTXDUMGRXNGFCR-MCIONIFRSA-N 2 1 242.407 2.312 20 0 BEADMP CCO[C@@H](C[N@H+]1CCCC[C@H]1CC[NH3+])C1CC1 ZINC000629531655 361148870 /nfs/dbraw/zinc/14/88/70/361148870.db2.gz SUIWLOSJSLONAX-KBPBESRZSA-N 2 1 240.391 2.005 20 0 BEADMP COC1(C[NH2+]C2CC([NH+](C)C)C2)CCCCC1 ZINC000579023819 366698526 /nfs/dbraw/zinc/69/85/26/366698526.db2.gz BCEYOSNVJVUDAC-UHFFFAOYSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1nc([C@@H](C)[NH2+]CC[C@H](C)[NH3+])c(C)s1 ZINC000622045259 370678382 /nfs/dbraw/zinc/67/83/82/370678382.db2.gz KEOINAWFHQDKMN-JGVFFNPUSA-N 2 1 227.377 2.148 20 0 BEADMP C[NH+](C)[C@@H]1CCC[N@H+](CCC(F)(F)F)CC1 ZINC000429545539 201111736 /nfs/dbraw/zinc/11/17/36/201111736.db2.gz FUFCWEVOIHNXHW-SNVBAGLBSA-N 2 1 238.297 2.355 20 0 BEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(F)(F)F)CC1 ZINC000429545539 201111739 /nfs/dbraw/zinc/11/17/39/201111739.db2.gz FUFCWEVOIHNXHW-SNVBAGLBSA-N 2 1 238.297 2.355 20 0 BEADMP C/C=C/C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000629536617 361400147 /nfs/dbraw/zinc/40/01/47/361400147.db2.gz IBEDEJCVWMOCQA-YTRGCGJWSA-N 2 1 218.344 2.111 20 0 BEADMP COC(C)(C)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429541357 201112983 /nfs/dbraw/zinc/11/29/83/201112983.db2.gz OPLJBKUXDNJOOT-ZDUSSCGKSA-N 2 1 242.407 2.218 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC23CCC3)C[NH2+]1 ZINC000629538806 361403247 /nfs/dbraw/zinc/40/32/47/361403247.db2.gz LGZYTGISQNGURM-AGIUHOORSA-N 2 1 222.376 2.439 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2ccc3c(c2)CCC3)CCC1 ZINC000342125932 181332130 /nfs/dbraw/zinc/33/21/30/181332130.db2.gz LGKHKKYPYRDIIO-UHFFFAOYSA-N 2 1 230.355 2.146 20 0 BEADMP C[NH2+]CCC[N@H+]1CC(C)(C)CCC1(C)C ZINC000629543715 361412871 /nfs/dbraw/zinc/41/28/71/361412871.db2.gz ABPZCIRVOLICOF-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC23CCCC3)C[NH2+]1 ZINC000629542710 361420172 /nfs/dbraw/zinc/42/01/72/361420172.db2.gz JOBIVGRTQJDJPN-UPJWGTAASA-N 2 1 222.376 2.439 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC23CCC3)C[NH2+]1 ZINC000629543030 361422152 /nfs/dbraw/zinc/42/21/52/361422152.db2.gz RIHIWJQMNOZSNY-WOPDTQHZSA-N 2 1 208.349 2.049 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCCC12CC2 ZINC000629554896 361436739 /nfs/dbraw/zinc/43/67/39/361436739.db2.gz OKUJOPRTFUGYPO-JHJVBQTASA-N 2 1 222.376 2.154 20 0 BEADMP c1ccc([C@H]2CC[C@@H]([NH2+][C@@H]3CC[NH2+]C3)C2)cc1 ZINC000629553038 361437522 /nfs/dbraw/zinc/43/75/22/361437522.db2.gz IEUFMSZRTZBVRI-RRFJBIMHSA-N 2 1 230.355 2.274 20 0 BEADMP C[NH2+]CCOCC[N@@H+](C)CCCC1CCCC1 ZINC000629571536 361462947 /nfs/dbraw/zinc/46/29/47/361462947.db2.gz NVQWTEDPDPCWHS-UHFFFAOYSA-N 2 1 242.407 2.125 20 0 BEADMP COc1cccc2c1C[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000629581877 361472092 /nfs/dbraw/zinc/47/20/92/361472092.db2.gz IVSBJNUJTFEPFO-LBPRGKRZSA-N 2 1 246.354 2.010 20 0 BEADMP Cn1ccc(C[NH2+]CC2([NH3+])CCCCCC2)c1 ZINC000629648659 361542091 /nfs/dbraw/zinc/54/20/91/361542091.db2.gz YLYCLRFWYRIOJA-UHFFFAOYSA-N 2 1 235.375 2.166 20 0 BEADMP C[NH2+]CCC[N@H+](C)CC1=Cc2ccccc2OC1 ZINC000629648874 361542103 /nfs/dbraw/zinc/54/21/03/361542103.db2.gz ZWBZAAPSRNVBIZ-UHFFFAOYSA-N 2 1 246.354 2.004 20 0 BEADMP C[NH2+]CCC[N@@H+](C)CC1=Cc2ccccc2OC1 ZINC000629648874 361542107 /nfs/dbraw/zinc/54/21/07/361542107.db2.gz ZWBZAAPSRNVBIZ-UHFFFAOYSA-N 2 1 246.354 2.004 20 0 BEADMP CC[C@H]([NH2+][C@H](C)C[NH+](CC)CC)C1CC1 ZINC000083056253 491159530 /nfs/dbraw/zinc/15/95/30/491159530.db2.gz VYUAPOKDVNQJEZ-YPMHNXCESA-N 2 1 212.381 2.495 20 0 BEADMP CC[N@@H+](Cc1ccc(C)cn1)[C@@H]1CCC[NH2+]CC1 ZINC000435379099 201265826 /nfs/dbraw/zinc/26/58/26/201265826.db2.gz AYTVPWAFLBMPHW-OAHLLOKOSA-N 2 1 247.386 2.354 20 0 BEADMP CC[N@@H+](Cc1cccnc1C)[C@H]1CCC[NH2+]CC1 ZINC000435381594 201266185 /nfs/dbraw/zinc/26/61/85/201266185.db2.gz UVLBIJJPKUGWSZ-HNNXBMFYSA-N 2 1 247.386 2.354 20 0 BEADMP CC[N@@H+](Cc1cccnc1)[C@@H]1CCC[NH2+]CC1 ZINC000435389683 201267007 /nfs/dbraw/zinc/26/70/07/201267007.db2.gz LUSRKFGGGKQLBD-CQSZACIVSA-N 2 1 233.359 2.046 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000435872273 201289567 /nfs/dbraw/zinc/28/95/67/201289567.db2.gz NTBUYBNMDUBJEE-CQSZACIVSA-N 2 1 218.344 2.433 20 0 BEADMP C[NH2+]CCC[N@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000435878061 201293891 /nfs/dbraw/zinc/29/38/91/201293891.db2.gz XPGLWWTYSYKDJA-CYBMUJFWSA-N 2 1 248.370 2.094 20 0 BEADMP C[NH2+]CCC[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000435881150 201294250 /nfs/dbraw/zinc/29/42/50/201294250.db2.gz SRPVJXBQPZRFQD-HNNXBMFYSA-N 2 1 232.371 2.260 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H]1C ZINC000083391130 491161443 /nfs/dbraw/zinc/16/14/43/491161443.db2.gz FKRQBNSLXBNQBZ-AVGNSLFASA-N 2 1 212.381 2.495 20 0 BEADMP [NH3+][C@H]1CC[C@H](Nc2cc[nH+]c3ccsc32)CC1 ZINC000630385682 364099450 /nfs/dbraw/zinc/09/94/50/364099450.db2.gz OJBPTRXADYWQFJ-MGCOHNPYSA-N 2 1 247.367 2.400 20 0 BEADMP CC1CCC([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000398971078 364401340 /nfs/dbraw/zinc/40/13/40/364401340.db2.gz WBDZXLQYWUOUOZ-PYNQCMFNSA-N 2 1 210.365 2.295 20 0 BEADMP C(C[N@H+]1CC[C@@H]2CCCC[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000134827617 364415241 /nfs/dbraw/zinc/41/52/41/364415241.db2.gz ZSOBJHPJYOMJRE-IHRRRGAJSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@H](Cc1cccs1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399025230 364726743 /nfs/dbraw/zinc/72/67/43/364726743.db2.gz JIVXCDHFZQWOCZ-IJLUTSLNSA-N 2 1 238.400 2.409 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cncs1 ZINC000573530074 364855175 /nfs/dbraw/zinc/85/51/75/364855175.db2.gz QPTRFJOIXBEKNR-RKDXNWHRSA-N 2 1 248.355 2.074 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(C)CC2)[C@H](C)C1 ZINC000573633582 364879678 /nfs/dbraw/zinc/87/96/78/364879678.db2.gz HDMHDWVVFURXKB-CHWSQXEVSA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(C)CC2)[C@H](C)C1 ZINC000573633582 364879683 /nfs/dbraw/zinc/87/96/83/364879683.db2.gz HDMHDWVVFURXKB-CHWSQXEVSA-N 2 1 224.392 2.449 20 0 BEADMP CC1=C[C@@H](C)C[N@@H+](CCCc2cncn2C)C1 ZINC000574050370 364977049 /nfs/dbraw/zinc/97/70/49/364977049.db2.gz GZOSUWJOXREMQQ-GFCCVEGCSA-N 2 1 233.359 2.251 20 0 BEADMP [NH3+]CCC[N@@H+](Cc1cccs1)C1CC1 ZINC000042515259 181379866 /nfs/dbraw/zinc/37/98/66/181379866.db2.gz CMJCQGXLHMYCRC-UHFFFAOYSA-N 2 1 210.346 2.061 20 0 BEADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000251782015 541443345 /nfs/dbraw/zinc/44/33/45/541443345.db2.gz FOMJUGQYJFNDNB-ZOBORPQBSA-N 2 1 240.391 2.016 20 0 BEADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000251782015 541443348 /nfs/dbraw/zinc/44/33/48/541443348.db2.gz FOMJUGQYJFNDNB-ZOBORPQBSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@H]1CCCC[C@@H]1C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000574793028 365145949 /nfs/dbraw/zinc/14/59/49/365145949.db2.gz AJRHWVIPXWLCCF-LJISPDSOSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C1CC1 ZINC000399083605 365400708 /nfs/dbraw/zinc/40/07/08/365400708.db2.gz SXRXRLSJNMHFHR-RTXFEEFZSA-N 2 1 210.365 2.151 20 0 BEADMP C[C@H]([N@@H+](C)CCCn1ccnc1)C1(C)CC1 ZINC000182839113 366948566 /nfs/dbraw/zinc/94/85/66/366948566.db2.gz NSWHOHSDHSNSCP-LBPRGKRZSA-N 2 1 221.348 2.394 20 0 BEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccccc1F ZINC000564822555 325812199 /nfs/dbraw/zinc/81/21/99/325812199.db2.gz NKDQRXLXEAFZIE-NSHDSACASA-N 2 1 224.323 2.476 20 0 BEADMP C[C@H]([NH2+]CC1(C2CC2)CC1)c1c[nH+]ccc1N ZINC000579701769 366983538 /nfs/dbraw/zinc/98/35/38/366983538.db2.gz IKAXYRYCSOCBNY-JTQLQIEISA-N 2 1 231.343 2.335 20 0 BEADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2cccc(O)c2)CC[NH2+]1 ZINC000580939948 367210262 /nfs/dbraw/zinc/21/02/62/367210262.db2.gz NKZDVDVQNBLKHF-TZMCWYRMSA-N 2 1 248.370 2.212 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@H]1C ZINC000380669942 367276449 /nfs/dbraw/zinc/27/64/49/367276449.db2.gz KXHAGPLNWSLCBW-FVCCEPFGSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C(C)(C)C1 ZINC000380504664 367225037 /nfs/dbraw/zinc/22/50/37/367225037.db2.gz IDPWOPIMJBAKRU-YNEHKIRRSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H](CCC1CC1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399135664 367646585 /nfs/dbraw/zinc/64/65/85/367646585.db2.gz QPCCXMUIGAUDIN-WZRBSPASSA-N 2 1 210.365 2.295 20 0 BEADMP CC(C)[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccn1 ZINC000581669882 367700484 /nfs/dbraw/zinc/70/04/84/367700484.db2.gz KMAPYKWHVXPQAV-CQSZACIVSA-N 2 1 247.386 2.292 20 0 BEADMP CC[C@@H]1[C@H](C)CC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000384009029 367668377 /nfs/dbraw/zinc/66/83/77/367668377.db2.gz KAGFZARRBRTRCG-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H]1[C@H](C)CC[N@H+]1CC[NH2+]C(C)(C)C ZINC000384009029 367668380 /nfs/dbraw/zinc/66/83/80/367668380.db2.gz KAGFZARRBRTRCG-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H]1[C@H](C)CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000384026596 367669285 /nfs/dbraw/zinc/66/92/85/367669285.db2.gz YEZMKPBYPQIIJL-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]([N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1)C1(C)CC1 ZINC000385481902 367835147 /nfs/dbraw/zinc/83/51/47/367835147.db2.gz YUGXCMWLKUZVIN-JHJVBQTASA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H](c1cccnc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386181222 367925185 /nfs/dbraw/zinc/92/51/85/367925185.db2.gz IWDVHWFKQGQPNP-AEGPPILISA-N 2 1 245.370 2.074 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCCCS1)[C@H]1CCCC[NH2+]1 ZINC000386578526 367994971 /nfs/dbraw/zinc/99/49/71/367994971.db2.gz NXZCDPAUSGAECU-RWMBFGLXSA-N 2 1 242.432 2.392 20 0 BEADMP C[C@H]1C[C@H](C[N@H+](CC(F)F)C2CC2)CC[NH2+]1 ZINC000386979902 368040677 /nfs/dbraw/zinc/04/06/77/368040677.db2.gz ZKGMYJMZTASEDK-VHSXEESVSA-N 2 1 232.318 2.104 20 0 BEADMP C[C@H]1C[C@H](C[N@@H+](CC(F)F)C2CC2)CC[NH2+]1 ZINC000386979902 368040681 /nfs/dbraw/zinc/04/06/81/368040681.db2.gz ZKGMYJMZTASEDK-VHSXEESVSA-N 2 1 232.318 2.104 20 0 BEADMP C[C@@H](C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C(C)(C)C ZINC000399246837 368046447 /nfs/dbraw/zinc/04/64/47/368046447.db2.gz WGMJTRLTPUYOTB-TUAOUCFPSA-N 2 1 212.381 2.399 20 0 BEADMP CCCn1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000091013032 369004399 /nfs/dbraw/zinc/00/43/99/369004399.db2.gz JNVPHGVDHNNKOH-AWEZNQCLSA-N 2 1 249.402 2.330 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000631827044 368991067 /nfs/dbraw/zinc/99/10/67/368991067.db2.gz DDQAWEPCCKRAFV-KKOKHZNYSA-N 2 1 246.345 2.398 20 0 BEADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCCC2)C1 ZINC000623655748 368991183 /nfs/dbraw/zinc/99/11/83/368991183.db2.gz DOEWPAJNALNTRT-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000623656022 368992889 /nfs/dbraw/zinc/99/28/89/368992889.db2.gz LBWDAIHWDVZINL-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000623656021 368994062 /nfs/dbraw/zinc/99/40/62/368994062.db2.gz LBWDAIHWDVZINL-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP CC1(CC[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000459509300 203292564 /nfs/dbraw/zinc/29/25/64/203292564.db2.gz USVFXXIAAKXOGF-UHFFFAOYSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459732733 203344407 /nfs/dbraw/zinc/34/44/07/203344407.db2.gz MSQMRISNRYGPIN-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)nc1 ZINC000459735037 203346761 /nfs/dbraw/zinc/34/67/61/203346761.db2.gz PJKFPCHGSALLEW-CQSZACIVSA-N 2 1 247.386 2.212 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631862153 369481338 /nfs/dbraw/zinc/48/13/38/369481338.db2.gz MATBBMQEFCKXRN-OPRDCNLKSA-N 2 1 220.307 2.089 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631862153 369481340 /nfs/dbraw/zinc/48/13/40/369481340.db2.gz MATBBMQEFCKXRN-OPRDCNLKSA-N 2 1 220.307 2.089 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631862151 369481845 /nfs/dbraw/zinc/48/18/45/369481845.db2.gz MATBBMQEFCKXRN-BBBLOLIVSA-N 2 1 220.307 2.089 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631862151 369481849 /nfs/dbraw/zinc/48/18/49/369481849.db2.gz MATBBMQEFCKXRN-BBBLOLIVSA-N 2 1 220.307 2.089 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+]C1(C2CCC2)CCC1 ZINC000459759023 203359563 /nfs/dbraw/zinc/35/95/63/203359563.db2.gz QNUFGSJDCXMARE-UHFFFAOYSA-N 2 1 233.359 2.275 20 0 BEADMP CC1(C)CC(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000631889450 370975602 /nfs/dbraw/zinc/97/56/02/370975602.db2.gz GHLORJRQVBYHBA-ZIAGYGMSSA-N 2 1 236.403 2.497 20 0 BEADMP CC1(C)CC(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000631889450 370975605 /nfs/dbraw/zinc/97/56/05/370975605.db2.gz GHLORJRQVBYHBA-ZIAGYGMSSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)[C@@H]1C ZINC000459783935 203366601 /nfs/dbraw/zinc/36/66/01/203366601.db2.gz NMJWWDMVZUDEFV-SYQHCUMBSA-N 2 1 224.392 2.352 20 0 BEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)C1CC1 ZINC000165292699 203384323 /nfs/dbraw/zinc/38/43/23/203384323.db2.gz JJFHATSRHSITFY-WDEREUQCSA-N 2 1 221.348 2.216 20 0 BEADMP CCC(CC)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459800614 203369756 /nfs/dbraw/zinc/36/97/56/203369756.db2.gz ZVGCOYVOTVYEAH-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000166204353 203387519 /nfs/dbraw/zinc/38/75/19/203387519.db2.gz VVHQPKDXKBUNBW-LOWVWBTDSA-N 2 1 212.381 2.351 20 0 BEADMP CC[NH+](CCC[N@H+](CC)C1CC1)C1CC1 ZINC000157543150 326281323 /nfs/dbraw/zinc/28/13/23/326281323.db2.gz AZSUNMANCVCMMB-UHFFFAOYSA-N 2 1 210.365 2.345 20 0 BEADMP Cc1ncccc1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623703382 369867350 /nfs/dbraw/zinc/86/73/50/369867350.db2.gz LVLTZZUFPBTAFP-CQSZACIVSA-N 2 1 247.386 2.352 20 0 BEADMP Cc1ncccc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623703382 369867356 /nfs/dbraw/zinc/86/73/56/369867356.db2.gz LVLTZZUFPBTAFP-CQSZACIVSA-N 2 1 247.386 2.352 20 0 BEADMP C[C@H](c1cccnc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252860997 370137263 /nfs/dbraw/zinc/13/72/63/370137263.db2.gz NGDLLRXNSMOKIJ-UNQGMJICSA-N 2 1 245.370 2.202 20 0 BEADMP CCC(CC)C[N@H+](CC)C[C@H](O)C[NH+](C)CC ZINC000310571831 370353289 /nfs/dbraw/zinc/35/32/89/370353289.db2.gz ZKUNAXFVVPXIOL-CQSZACIVSA-N 2 1 244.423 2.057 20 0 BEADMP CCC(CC)C[N@@H+](CC)C[C@H](O)C[NH+](C)CC ZINC000310571831 370353296 /nfs/dbraw/zinc/35/32/96/370353296.db2.gz ZKUNAXFVVPXIOL-CQSZACIVSA-N 2 1 244.423 2.057 20 0 BEADMP CCC(CC)C[NH+](CC)C[C@H](O)C[N@H+](C)CC ZINC000310571831 370353301 /nfs/dbraw/zinc/35/33/01/370353301.db2.gz ZKUNAXFVVPXIOL-CQSZACIVSA-N 2 1 244.423 2.057 20 0 BEADMP CCC(CC)C[NH+](CC)C[C@H](O)C[N@@H+](C)CC ZINC000310571831 370353308 /nfs/dbraw/zinc/35/33/08/370353308.db2.gz ZKUNAXFVVPXIOL-CQSZACIVSA-N 2 1 244.423 2.057 20 0 BEADMP FC1(F)C[C@H]1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000621733867 370489710 /nfs/dbraw/zinc/48/97/10/370489710.db2.gz ZYERVPQBNSVHRP-SNVBAGLBSA-N 2 1 244.329 2.248 20 0 BEADMP Cc1ccccc1C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621777341 370525358 /nfs/dbraw/zinc/52/53/58/370525358.db2.gz AZXHZNUSBIVIBR-CABCVRRESA-N 2 1 230.355 2.308 20 0 BEADMP Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000621777723 370527012 /nfs/dbraw/zinc/52/70/12/370527012.db2.gz FRNNKCHATUYILM-GJZGRUSLSA-N 2 1 230.355 2.308 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000621777723 370527015 /nfs/dbraw/zinc/52/70/15/370527015.db2.gz FRNNKCHATUYILM-GJZGRUSLSA-N 2 1 230.355 2.308 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+][C@]2(C)CCCOC2)CC1(C)C ZINC000623908128 371149924 /nfs/dbraw/zinc/14/99/24/371149924.db2.gz PULIHWSOCPVZQU-TZMCWYRMSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1ccccc1C[NH2+]CCc1c[nH+]cn1C ZINC000401768500 371817248 /nfs/dbraw/zinc/81/72/48/371817248.db2.gz ZRTIOINMZWYHKY-UHFFFAOYSA-N 2 1 229.327 2.061 20 0 BEADMP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)F)CC1(C)C ZINC000631189964 372224429 /nfs/dbraw/zinc/22/44/29/372224429.db2.gz YLSZCVKBKQWAOU-JTQLQIEISA-N 2 1 216.344 2.197 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)F)CC1(C)C ZINC000631189964 372224435 /nfs/dbraw/zinc/22/44/35/372224435.db2.gz YLSZCVKBKQWAOU-JTQLQIEISA-N 2 1 216.344 2.197 20 0 BEADMP CCC(C)(C)CC[NH2+]C1CC[NH+](C)CC1 ZINC000631206348 372235218 /nfs/dbraw/zinc/23/52/18/372235218.db2.gz LDQKWSQZDVOBFU-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP Cc1cc(C)c(C[N@@H+](C)C2CC[NH2+]CC2)c(C)n1 ZINC000631821264 372594803 /nfs/dbraw/zinc/59/48/03/372594803.db2.gz SWLFQYOIJMZXHR-UHFFFAOYSA-N 2 1 247.386 2.191 20 0 BEADMP Cc1cc(C)c(C[N@H+](C)C2CC[NH2+]CC2)c(C)n1 ZINC000631821264 372594808 /nfs/dbraw/zinc/59/48/08/372594808.db2.gz SWLFQYOIJMZXHR-UHFFFAOYSA-N 2 1 247.386 2.191 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c(C)n1 ZINC000631822442 372598638 /nfs/dbraw/zinc/59/86/38/372598638.db2.gz DETYDOCUIBQAKA-TZMCWYRMSA-N 2 1 247.386 2.176 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1F ZINC000631837507 372627871 /nfs/dbraw/zinc/62/78/71/372627871.db2.gz SYSAUBMJBJPESZ-WCQYABFASA-N 2 1 236.334 2.161 20 0 BEADMP Cc1cccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631843880 372641664 /nfs/dbraw/zinc/64/16/64/372641664.db2.gz STYARPQHRUTRHL-GXTWGEPZSA-N 2 1 218.344 2.022 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000631845164 372643630 /nfs/dbraw/zinc/64/36/30/372643630.db2.gz UVCIDVCTSUUJOK-ZYHUDNBSSA-N 2 1 238.762 2.367 20 0 BEADMP CCc1ccc(CC[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000631860323 372660049 /nfs/dbraw/zinc/66/00/49/372660049.db2.gz JKCSRKSPJPHIRH-DOMZBBRYSA-N 2 1 232.371 2.213 20 0 BEADMP CCc1ccc(CC[N@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000631860323 372660052 /nfs/dbraw/zinc/66/00/52/372660052.db2.gz JKCSRKSPJPHIRH-DOMZBBRYSA-N 2 1 232.371 2.213 20 0 BEADMP CCCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631883947 372680312 /nfs/dbraw/zinc/68/03/12/372680312.db2.gz DQVZBBFVKZTZSK-STQMWFEESA-N 2 1 210.365 2.251 20 0 BEADMP CCCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631883947 372680315 /nfs/dbraw/zinc/68/03/15/372680315.db2.gz DQVZBBFVKZTZSK-STQMWFEESA-N 2 1 210.365 2.251 20 0 BEADMP C(C1CCCC1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631885915 372681520 /nfs/dbraw/zinc/68/15/20/372681520.db2.gz CQZKHPHEAVBMGR-KGLIPLIRSA-N 2 1 222.376 2.251 20 0 BEADMP C(C1CCCC1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631885915 372681526 /nfs/dbraw/zinc/68/15/26/372681526.db2.gz CQZKHPHEAVBMGR-KGLIPLIRSA-N 2 1 222.376 2.251 20 0 BEADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890155 372686159 /nfs/dbraw/zinc/68/61/59/372686159.db2.gz MSXWPSIHPJABQZ-UXXRCYHCSA-N 2 1 234.387 2.106 20 0 BEADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890155 372686168 /nfs/dbraw/zinc/68/61/68/372686168.db2.gz MSXWPSIHPJABQZ-UXXRCYHCSA-N 2 1 234.387 2.106 20 0 BEADMP CCC(CC)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890892 372687239 /nfs/dbraw/zinc/68/72/39/372687239.db2.gz UKTZBOFBJFCVSJ-KBPBESRZSA-N 2 1 224.392 2.497 20 0 BEADMP CCC(CC)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890892 372687242 /nfs/dbraw/zinc/68/72/42/372687242.db2.gz UKTZBOFBJFCVSJ-KBPBESRZSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)=CCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890283 372687264 /nfs/dbraw/zinc/68/72/64/372687264.db2.gz OIXJFNMBBZNVGT-KBPBESRZSA-N 2 1 222.376 2.417 20 0 BEADMP CC(C)=CCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890283 372687267 /nfs/dbraw/zinc/68/72/67/372687267.db2.gz OIXJFNMBBZNVGT-KBPBESRZSA-N 2 1 222.376 2.417 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000414921511 205785031 /nfs/dbraw/zinc/78/50/31/205785031.db2.gz BSKIVZFFNOAIPO-VHDGCEQUSA-N 2 1 232.371 2.335 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000414921509 205785459 /nfs/dbraw/zinc/78/54/59/205785459.db2.gz BSKIVZFFNOAIPO-SNPRPXQTSA-N 2 1 232.371 2.335 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000070359235 374138222 /nfs/dbraw/zinc/13/82/22/374138222.db2.gz GRYZFBHGHGTINT-ZDUSSCGKSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H]1CCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000246575203 374275960 /nfs/dbraw/zinc/27/59/60/374275960.db2.gz CAJNOULRPRSQJJ-CHWSQXEVSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000246575203 374275964 /nfs/dbraw/zinc/27/59/64/374275964.db2.gz CAJNOULRPRSQJJ-CHWSQXEVSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000246575203 374275968 /nfs/dbraw/zinc/27/59/68/374275968.db2.gz CAJNOULRPRSQJJ-CHWSQXEVSA-N 2 1 210.365 2.345 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC(C)C)C[C@@H]1C ZINC000336643812 170019639 /nfs/dbraw/zinc/01/96/39/170019639.db2.gz DSODZKHMPBFUQF-STQMWFEESA-N 2 1 212.381 2.447 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429035628 206060995 /nfs/dbraw/zinc/06/09/95/206060995.db2.gz NMMTVYBJHPGRNH-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CC(C)CCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429035628 206061001 /nfs/dbraw/zinc/06/10/01/206061001.db2.gz NMMTVYBJHPGRNH-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CC(C)CCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429035628 206061008 /nfs/dbraw/zinc/06/10/08/206061008.db2.gz NMMTVYBJHPGRNH-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](CCc2ccc(C)cc2)C1 ZINC000430915329 206062056 /nfs/dbraw/zinc/06/20/56/206062056.db2.gz CEQYOLOELAAUNK-OAHLLOKOSA-N 2 1 232.371 2.079 20 0 BEADMP CCC[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000285773479 169074849 /nfs/dbraw/zinc/07/48/49/169074849.db2.gz SXUVHVFYKAQUOX-UHFFFAOYSA-N 2 1 224.348 2.443 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000308812693 169123862 /nfs/dbraw/zinc/12/38/62/169123862.db2.gz AAKUPAPTMLOFPY-JHJVBQTASA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000308812693 169123866 /nfs/dbraw/zinc/12/38/66/169123866.db2.gz AAKUPAPTMLOFPY-JHJVBQTASA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000336745295 169125193 /nfs/dbraw/zinc/12/51/93/169125193.db2.gz VPGVVZGJZLWJEZ-OLZOCXBDSA-N 2 1 244.448 2.450 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000336745295 169125195 /nfs/dbraw/zinc/12/51/95/169125195.db2.gz VPGVVZGJZLWJEZ-OLZOCXBDSA-N 2 1 244.448 2.450 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCCOCC1 ZINC000353480161 169128222 /nfs/dbraw/zinc/12/82/22/169128222.db2.gz HXJBZMFIQCQMCS-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCCOCC1 ZINC000353480161 169128223 /nfs/dbraw/zinc/12/82/23/169128223.db2.gz HXJBZMFIQCQMCS-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000353084613 169128265 /nfs/dbraw/zinc/12/82/65/169128265.db2.gz URDZZDBQTPTXDK-MELADBBJSA-N 2 1 242.407 2.264 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000353084613 169128266 /nfs/dbraw/zinc/12/82/66/169128266.db2.gz URDZZDBQTPTXDK-MELADBBJSA-N 2 1 242.407 2.264 20 0 BEADMP CCC[N@@H+](CCOCC[NH3+])CC1CCCCC1 ZINC000357082402 169169572 /nfs/dbraw/zinc/16/95/72/169169572.db2.gz OEVGZYUKWZZAHO-UHFFFAOYSA-N 2 1 242.407 2.254 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](C)CC ZINC000336762286 169196969 /nfs/dbraw/zinc/19/69/69/169196969.db2.gz NOZKKBWXSZPWLW-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](C)CC ZINC000336762286 169196971 /nfs/dbraw/zinc/19/69/71/169196971.db2.gz NOZKKBWXSZPWLW-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000336777789 169197481 /nfs/dbraw/zinc/19/74/81/169197481.db2.gz JOCCUCGXBOIXOO-REWJHTLYSA-N 2 1 224.392 2.495 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000336777789 169197482 /nfs/dbraw/zinc/19/74/82/169197482.db2.gz JOCCUCGXBOIXOO-REWJHTLYSA-N 2 1 224.392 2.495 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOCC1 ZINC000353987295 169199607 /nfs/dbraw/zinc/19/96/07/169199607.db2.gz OPLFIQLDLHKNME-KGLIPLIRSA-N 2 1 240.391 2.020 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOCC1 ZINC000353987295 169199608 /nfs/dbraw/zinc/19/96/08/169199608.db2.gz OPLFIQLDLHKNME-KGLIPLIRSA-N 2 1 240.391 2.020 20 0 BEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccnc2)C1 ZINC000245621287 169206331 /nfs/dbraw/zinc/20/63/31/169206331.db2.gz RJQWZKLVQPNWJF-KGLIPLIRSA-N 2 1 247.386 2.464 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccnc2)C1 ZINC000245621287 169206333 /nfs/dbraw/zinc/20/63/33/169206333.db2.gz RJQWZKLVQPNWJF-KGLIPLIRSA-N 2 1 247.386 2.464 20 0 BEADMP c1cc(C[NH2+]CCC[NH+]2CCCC2)cs1 ZINC000020128965 183350518 /nfs/dbraw/zinc/35/05/18/183350518.db2.gz IJKPANKBUSYKRY-UHFFFAOYSA-N 2 1 224.373 2.324 20 0 BEADMP c1ccc(CCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000031994627 183391773 /nfs/dbraw/zinc/39/17/73/183391773.db2.gz AIZUTGQRJCORCJ-MRXNPFEDSA-N 2 1 244.382 2.305 20 0 BEADMP c1ccc(CCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000336794653 183392060 /nfs/dbraw/zinc/39/20/60/183392060.db2.gz DPDRBMHDXUSNPD-JKSUJKDBSA-N 2 1 244.382 2.303 20 0 BEADMP c1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)nc1 ZINC000021950185 183396138 /nfs/dbraw/zinc/39/61/38/183396138.db2.gz ALIKBRAELLZBDL-ZDUSSCGKSA-N 2 1 245.370 2.046 20 0 BEADMP c1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)nc1 ZINC000021950185 183396140 /nfs/dbraw/zinc/39/61/40/183396140.db2.gz ALIKBRAELLZBDL-ZDUSSCGKSA-N 2 1 245.370 2.046 20 0 BEADMP CCCOc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000032022204 169318747 /nfs/dbraw/zinc/31/87/47/169318747.db2.gz IYUFWZRIYAZABO-UHFFFAOYSA-N 2 1 248.370 2.399 20 0 BEADMP CCC[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000308754187 169371699 /nfs/dbraw/zinc/37/16/99/169371699.db2.gz VRCPNRKLDBKAGD-VXGBXAGGSA-N 2 1 200.370 2.493 20 0 BEADMP CCC[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000308754187 169371700 /nfs/dbraw/zinc/37/17/00/169371700.db2.gz VRCPNRKLDBKAGD-VXGBXAGGSA-N 2 1 200.370 2.493 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000069626870 383834306 /nfs/dbraw/zinc/83/43/06/383834306.db2.gz YWUQWTDDWTUTAH-WDEREUQCSA-N 2 1 224.373 2.307 20 0 BEADMP C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccco1 ZINC000037649098 383992348 /nfs/dbraw/zinc/99/23/48/383992348.db2.gz QIYNEAXCBTWPQI-VXGBXAGGSA-N 2 1 234.343 2.415 20 0 BEADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc2c(c1)CCO2 ZINC000037213714 383960316 /nfs/dbraw/zinc/96/03/16/383960316.db2.gz VIVNVHUOHWLNPQ-LBPRGKRZSA-N 2 1 248.370 2.224 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(C)(C)C ZINC000227732293 134385952 /nfs/dbraw/zinc/38/59/52/134385952.db2.gz PAHRFDNOWJBWKF-NSHDSACASA-N 2 1 200.370 2.338 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000647257147 384051933 /nfs/dbraw/zinc/05/19/33/384051933.db2.gz SRYSWTQTRRVHGO-YRGRVCCFSA-N 2 1 245.370 2.426 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccncc1 ZINC000643548529 384035559 /nfs/dbraw/zinc/03/55/59/384035559.db2.gz QLVRAVQOEPDDRR-OCCSQVGLSA-N 2 1 245.370 2.407 20 0 BEADMP CC(C)[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000163616036 384096419 /nfs/dbraw/zinc/09/64/19/384096419.db2.gz RRBARWFKRLEQNM-KBPBESRZSA-N 2 1 224.392 2.354 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2CCCC(F)(F)C2)CC1 ZINC000335917848 384126488 /nfs/dbraw/zinc/12/64/88/384126488.db2.gz MEMIFXDZCFHRCH-NSHDSACASA-N 2 1 232.318 2.248 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c(C)c1 ZINC000235354631 384162504 /nfs/dbraw/zinc/16/25/04/384162504.db2.gz PVDVYHSYHAJGHT-OCCSQVGLSA-N 2 1 218.344 2.082 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c(C)c1 ZINC000235354631 384162507 /nfs/dbraw/zinc/16/25/07/384162507.db2.gz PVDVYHSYHAJGHT-OCCSQVGLSA-N 2 1 218.344 2.082 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000090720175 384166206 /nfs/dbraw/zinc/16/62/06/384166206.db2.gz IFFCQVFKPHZLTR-FZMZJTMJSA-N 2 1 236.334 2.398 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)CC[N@H+]1C ZINC000090720175 384166210 /nfs/dbraw/zinc/16/62/10/384166210.db2.gz IFFCQVFKPHZLTR-FZMZJTMJSA-N 2 1 236.334 2.398 20 0 BEADMP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH3+])C1 ZINC000050227709 384168860 /nfs/dbraw/zinc/16/88/60/384168860.db2.gz IGLCJYOXIZKHDQ-QWHCGFSZSA-N 2 1 204.317 2.171 20 0 BEADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH3+])C1 ZINC000050227709 384168862 /nfs/dbraw/zinc/16/88/62/384168862.db2.gz IGLCJYOXIZKHDQ-QWHCGFSZSA-N 2 1 204.317 2.171 20 0 BEADMP Cc1cccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000158040568 384177980 /nfs/dbraw/zinc/17/79/80/384177980.db2.gz KWRMWEWFBDJOLH-ZIAGYGMSSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)[nH+]1 ZINC000158040568 384177984 /nfs/dbraw/zinc/17/79/84/384177984.db2.gz KWRMWEWFBDJOLH-ZIAGYGMSSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)[nH+]1 ZINC000158040568 384177986 /nfs/dbraw/zinc/17/79/86/384177986.db2.gz KWRMWEWFBDJOLH-ZIAGYGMSSA-N 2 1 245.370 2.311 20 0 BEADMP C[N@@H+](Cc1cccs1)CC(C)(C)C[NH3+] ZINC000051216572 384230486 /nfs/dbraw/zinc/23/04/86/384230486.db2.gz QQCDPXUMRINSMO-UHFFFAOYSA-N 2 1 212.362 2.165 20 0 BEADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCC(C)(C)C1 ZINC000234366510 384215030 /nfs/dbraw/zinc/21/50/30/384215030.db2.gz RDPKKIHJHGFTRL-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC1CCCC1 ZINC000082594451 384240368 /nfs/dbraw/zinc/24/03/68/384240368.db2.gz MFBPVWPFHZLZMN-CYBMUJFWSA-N 2 1 210.365 2.380 20 0 BEADMP CC[N@H+]1CC[C@H](NCc2ccnc(C)c2)[C@@H](C)C1 ZINC000449402889 384226245 /nfs/dbraw/zinc/22/62/45/384226245.db2.gz NQMREMRKCPZOHM-WFASDCNBSA-N 2 1 247.386 2.210 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(C)c2)[C@@H](C)C1 ZINC000449402889 384226250 /nfs/dbraw/zinc/22/62/50/384226250.db2.gz NQMREMRKCPZOHM-WFASDCNBSA-N 2 1 247.386 2.210 20 0 BEADMP CSCCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000173791905 384262922 /nfs/dbraw/zinc/26/29/22/384262922.db2.gz RADJUNDYURUOLT-LBPRGKRZSA-N 2 1 230.421 2.013 20 0 BEADMP CSCCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000173791905 384262929 /nfs/dbraw/zinc/26/29/29/384262929.db2.gz RADJUNDYURUOLT-LBPRGKRZSA-N 2 1 230.421 2.013 20 0 BEADMP CSCCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000173791905 384262932 /nfs/dbraw/zinc/26/29/32/384262932.db2.gz RADJUNDYURUOLT-LBPRGKRZSA-N 2 1 230.421 2.013 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+]C(C1CC1)C1CC1 ZINC000166562314 384274495 /nfs/dbraw/zinc/27/44/95/384274495.db2.gz HUBKMDKIHGRDGS-UHFFFAOYSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](C)C[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000300056941 384283570 /nfs/dbraw/zinc/28/35/70/384283570.db2.gz WSMPAVRNPXUQOV-YNEHKIRRSA-N 2 1 212.381 2.352 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCSC)C1 ZINC000173909028 384284111 /nfs/dbraw/zinc/28/41/11/384284111.db2.gz HKURKJNKVIKJBU-LBPRGKRZSA-N 2 1 230.421 2.013 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCSC)C1 ZINC000173909028 384284116 /nfs/dbraw/zinc/28/41/16/384284116.db2.gz HKURKJNKVIKJBU-LBPRGKRZSA-N 2 1 230.421 2.013 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCSC)C1 ZINC000173909028 384284124 /nfs/dbraw/zinc/28/41/24/384284124.db2.gz HKURKJNKVIKJBU-LBPRGKRZSA-N 2 1 230.421 2.013 20 0 BEADMP C[N@H+](CCC(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000083890668 384342619 /nfs/dbraw/zinc/34/26/19/384342619.db2.gz GLAKTXAXXXLCKO-VIFPVBQESA-N 2 1 224.270 2.013 20 0 BEADMP C[N@@H+](CCC(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000083890668 384342624 /nfs/dbraw/zinc/34/26/24/384342624.db2.gz GLAKTXAXXXLCKO-VIFPVBQESA-N 2 1 224.270 2.013 20 0 BEADMP Cc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000228858231 384347411 /nfs/dbraw/zinc/34/74/11/384347411.db2.gz FOTFVDVAEMSIJW-YIONKMFJSA-N 2 1 245.370 2.105 20 0 BEADMP Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000228858231 384347414 /nfs/dbraw/zinc/34/74/14/384347414.db2.gz FOTFVDVAEMSIJW-YIONKMFJSA-N 2 1 245.370 2.105 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CO1 ZINC000401975650 384354188 /nfs/dbraw/zinc/35/41/88/384354188.db2.gz TYHVZPFCXWSQAL-BFHYXJOUSA-N 2 1 240.391 2.018 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCOC)[C@H](C)C1 ZINC000174776550 384362082 /nfs/dbraw/zinc/36/20/82/384362082.db2.gz SUWBYOYSPVASLV-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCOC)[C@H](C)C1 ZINC000174776550 384362085 /nfs/dbraw/zinc/36/20/85/384362085.db2.gz SUWBYOYSPVASLV-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCOC)[C@H](C)C1 ZINC000174776550 384362088 /nfs/dbraw/zinc/36/20/88/384362088.db2.gz SUWBYOYSPVASLV-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccsc1 ZINC000061361796 384412329 /nfs/dbraw/zinc/41/23/29/384412329.db2.gz OOKMNAAQHHTZPK-SECBINFHSA-N 2 1 210.346 2.151 20 0 BEADMP Cc1ccoc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000135150903 384419896 /nfs/dbraw/zinc/41/98/96/384419896.db2.gz MYVGZZOLTHUVBG-QWHCGFSZSA-N 2 1 234.343 2.304 20 0 BEADMP Cc1csc(C[NH2+]C2CC[NH+](C)CC2)c1 ZINC000334283719 384424311 /nfs/dbraw/zinc/42/43/11/384424311.db2.gz ZLRDWFWHIGDVLJ-UHFFFAOYSA-N 2 1 224.373 2.240 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000336718425 384377635 /nfs/dbraw/zinc/37/76/35/384377635.db2.gz YKBLUGZUZLXIHS-ZDEQEGDKSA-N 2 1 212.381 2.351 20 0 BEADMP Cc1ccncc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000135434114 384444277 /nfs/dbraw/zinc/44/42/77/384444277.db2.gz MBEAOISPEAGBQN-UHFFFAOYSA-N 2 1 247.386 2.356 20 0 BEADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2F)CC1 ZINC000334381297 384473635 /nfs/dbraw/zinc/47/36/35/384473635.db2.gz JIOBIWKXALRUHR-QWHCGFSZSA-N 2 1 228.355 2.339 20 0 BEADMP CCC[C@H](C)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000036790846 384458858 /nfs/dbraw/zinc/45/88/58/384458858.db2.gz ZPACDOVNIPIGJK-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP COC1(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)CCCC1 ZINC000319817726 384497907 /nfs/dbraw/zinc/49/79/07/384497907.db2.gz HYDWTRNFXUBTCX-CYBMUJFWSA-N 2 1 242.407 2.251 20 0 BEADMP CC(C)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150803645 384513853 /nfs/dbraw/zinc/51/38/53/384513853.db2.gz SRAGEKSIUILWMI-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH2+][C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC000150060440 384555311 /nfs/dbraw/zinc/55/53/11/384555311.db2.gz XCYSYKUBEYTKBT-CYBMUJFWSA-N 2 1 210.365 2.251 20 0 BEADMP Cc1ccccc1CCC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000019933251 384558605 /nfs/dbraw/zinc/55/86/05/384558605.db2.gz YQUTZOBDFUMZHP-OAHLLOKOSA-N 2 1 232.371 2.351 20 0 BEADMP Cc1ccccc1CCC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000019933251 384558615 /nfs/dbraw/zinc/55/86/15/384558615.db2.gz YQUTZOBDFUMZHP-OAHLLOKOSA-N 2 1 232.371 2.351 20 0 BEADMP C[N@H+](Cc1cccc(F)c1)CC1CC[NH2+]CC1 ZINC000020293339 384613475 /nfs/dbraw/zinc/61/34/75/384613475.db2.gz VGEHFNVKAFAECS-UHFFFAOYSA-N 2 1 236.334 2.257 20 0 BEADMP CC(C)=CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150819628 384625377 /nfs/dbraw/zinc/62/53/77/384625377.db2.gz XYOYHNDGCVSERP-CQSZACIVSA-N 2 1 222.376 2.370 20 0 BEADMP C1[C@H]2CC[C@@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C[C@@H]12 ZINC000403313571 384628840 /nfs/dbraw/zinc/62/88/40/384628840.db2.gz BLUKRLYVRXPGGA-KJWHEZOQSA-N 2 1 234.387 2.391 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@@H]2CCCCC2(F)F)CC1 ZINC000336144955 384630370 /nfs/dbraw/zinc/63/03/70/384630370.db2.gz DKAMLOHXOMIGGL-NSHDSACASA-N 2 1 246.345 2.496 20 0 BEADMP CC1CCC(C[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000647534788 384646146 /nfs/dbraw/zinc/64/61/46/384646146.db2.gz WDVFSMQVOQDHFZ-WUCCLRPBSA-N 2 1 236.403 2.497 20 0 BEADMP CC1CCC(C[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000647534788 384646152 /nfs/dbraw/zinc/64/61/52/384646152.db2.gz WDVFSMQVOQDHFZ-WUCCLRPBSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H](C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)c1ccccc1 ZINC000647534598 384646422 /nfs/dbraw/zinc/64/64/22/384646422.db2.gz RIBRHPAKEMQQKG-VNQPRFMTSA-N 2 1 244.382 2.474 20 0 BEADMP C[C@H](C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)c1ccccc1 ZINC000647534598 384646426 /nfs/dbraw/zinc/64/64/26/384646426.db2.gz RIBRHPAKEMQQKG-VNQPRFMTSA-N 2 1 244.382 2.474 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC000044536040 384657873 /nfs/dbraw/zinc/65/78/73/384657873.db2.gz MRUBQZFBAMDXFZ-GFCCVEGCSA-N 2 1 212.381 2.354 20 0 BEADMP CCCCOCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000359360697 384725024 /nfs/dbraw/zinc/72/50/24/384725024.db2.gz HVDWNJUTYINRMG-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP CC(C)CCOCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000104421447 384685841 /nfs/dbraw/zinc/68/58/41/384685841.db2.gz JTGRIYCOJRXFSV-KGLIPLIRSA-N 2 1 242.407 2.108 20 0 BEADMP CSCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000309935869 384727046 /nfs/dbraw/zinc/72/70/46/384727046.db2.gz ZTBPYAGZZOTQGY-YNEHKIRRSA-N 2 1 242.432 2.202 20 0 BEADMP C[N@H+](CCNc1cc[nH+]cc1Cl)C1CC1 ZINC000086833177 384700230 /nfs/dbraw/zinc/70/02/30/384700230.db2.gz UJXUPWBBFQPIIG-UHFFFAOYSA-N 2 1 225.723 2.241 20 0 BEADMP C[N@@H+](CCNc1cc[nH+]cc1Cl)C1CC1 ZINC000086833177 384700237 /nfs/dbraw/zinc/70/02/37/384700237.db2.gz UJXUPWBBFQPIIG-UHFFFAOYSA-N 2 1 225.723 2.241 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543425 384710963 /nfs/dbraw/zinc/71/09/63/384710963.db2.gz NFWZQPWIANTLLS-APIJFGDWSA-N 2 1 236.403 2.354 20 0 BEADMP FC1(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647543745 384713579 /nfs/dbraw/zinc/71/35/79/384713579.db2.gz RPJHQPHJYKERLV-CHWSQXEVSA-N 2 1 240.366 2.200 20 0 BEADMP C(C1CC1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544068 384715469 /nfs/dbraw/zinc/71/54/69/384715469.db2.gz VZNMMOGASAABMA-ZIAGYGMSSA-N 2 1 222.376 2.108 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000300988787 384774625 /nfs/dbraw/zinc/77/46/25/384774625.db2.gz VEXJHFDRUGUPBX-YNEHKIRRSA-N 2 1 212.381 2.338 20 0 BEADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000647552105 384756557 /nfs/dbraw/zinc/75/65/57/384756557.db2.gz FZNLMRMDFBMRQW-CQSZACIVSA-N 2 1 222.376 2.108 20 0 BEADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]CC[C@H]3C2)cc1 ZINC000083328873 384757926 /nfs/dbraw/zinc/75/79/26/384757926.db2.gz HMEQPPDSBRYYKW-CABCVRRESA-N 2 1 230.355 2.118 20 0 BEADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]CC2CCC(F)CC2)C1 ZINC000647553297 384768442 /nfs/dbraw/zinc/76/84/42/384768442.db2.gz QFZQPSFRGKIELP-XVSSEFHLSA-N 2 1 228.355 2.102 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(Cl)cc1 ZINC000107787110 384782169 /nfs/dbraw/zinc/78/21/69/384782169.db2.gz SEKOGVWHOUJEME-GFCCVEGCSA-N 2 1 226.751 2.413 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000423259493 384785007 /nfs/dbraw/zinc/78/50/07/384785007.db2.gz DXQAEZZBILPIRZ-FRRDWIJNSA-N 2 1 210.365 2.138 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000105480764 384785272 /nfs/dbraw/zinc/78/52/72/384785272.db2.gz USHVXMRBOYUMRR-ZFWWWQNUSA-N 2 1 232.371 2.425 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000423277109 384787832 /nfs/dbraw/zinc/78/78/32/384787832.db2.gz PESBIOMICRXYPN-UONOGXRCSA-N 2 1 236.334 2.386 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC000564826214 384793694 /nfs/dbraw/zinc/79/36/94/384793694.db2.gz FJUYEEDCKBSWRD-CMPLNLGQSA-N 2 1 210.365 2.010 20 0 BEADMP [NH3+][C@@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)C1CC1 ZINC000423312868 384795050 /nfs/dbraw/zinc/79/50/50/384795050.db2.gz DXDDGKQNOFNBJP-UONOGXRCSA-N 2 1 234.318 2.140 20 0 BEADMP CC[C@@H](C)C[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000308613331 384873080 /nfs/dbraw/zinc/87/30/80/384873080.db2.gz RFBRVGDBBMMTIT-NEPJUHHUSA-N 2 1 200.370 2.351 20 0 BEADMP CC[C@@H](C)C[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000308613331 384873087 /nfs/dbraw/zinc/87/30/87/384873087.db2.gz RFBRVGDBBMMTIT-NEPJUHHUSA-N 2 1 200.370 2.351 20 0 BEADMP C[C@@H](CC1CC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119696852 384951640 /nfs/dbraw/zinc/95/16/40/384951640.db2.gz JHESFHDIBWIWSO-NSHDSACASA-N 2 1 222.376 2.391 20 0 BEADMP C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)C1CCCC1 ZINC000310588333 384890813 /nfs/dbraw/zinc/89/08/13/384890813.db2.gz XDCBTMXUMAJVSR-GASCZTMLSA-N 2 1 236.403 2.498 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000423447063 384900970 /nfs/dbraw/zinc/90/09/70/384900970.db2.gz OSPSHXWFVPPGJI-RVBZMBCESA-N 2 1 222.307 2.138 20 0 BEADMP Cc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])nc1 ZINC000156599748 384904701 /nfs/dbraw/zinc/90/47/01/384904701.db2.gz NDJUACVICMTEPU-AWEZNQCLSA-N 2 1 233.359 2.093 20 0 BEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccn2)C1 ZINC000250497339 384909791 /nfs/dbraw/zinc/90/97/91/384909791.db2.gz JRICFOBWVDHJLY-KGLIPLIRSA-N 2 1 247.386 2.463 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccn2)C1 ZINC000250497339 384909800 /nfs/dbraw/zinc/90/98/00/384909800.db2.gz JRICFOBWVDHJLY-KGLIPLIRSA-N 2 1 247.386 2.463 20 0 BEADMP CC(C)[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000251368149 384913495 /nfs/dbraw/zinc/91/34/95/384913495.db2.gz FNLXSRQDEQGQDY-STQMWFEESA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000251749435 384914408 /nfs/dbraw/zinc/91/44/08/384914408.db2.gz JQNCSLPKMWJRKT-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000259266020 384960129 /nfs/dbraw/zinc/96/01/29/384960129.db2.gz ZLAUJSBLFKBHFV-UONOGXRCSA-N 2 1 234.343 2.055 20 0 BEADMP Cc1cncc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000404315863 384970193 /nfs/dbraw/zinc/97/01/93/384970193.db2.gz ZZDRSZXLILVDGA-DZGCQCFKSA-N 2 1 247.386 2.339 20 0 BEADMP Cc1cc(N2CCC[C@@H](C)[C@@H]2CC[NH3+])nc(C)[nH+]1 ZINC000404369366 384974880 /nfs/dbraw/zinc/97/48/80/384974880.db2.gz QLASJMUVCGUXNC-MFKMUULPSA-N 2 1 248.374 2.047 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000423478489 384987872 /nfs/dbraw/zinc/98/78/72/384987872.db2.gz UQXYLUPCLOEJEB-DGCLKSJQSA-N 2 1 222.307 2.140 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](C)C1 ZINC000164422231 384988658 /nfs/dbraw/zinc/98/86/58/384988658.db2.gz PTECQPJVAUOSNZ-QWHCGFSZSA-N 2 1 212.381 2.495 20 0 BEADMP Cc1cc(CNCCC[N@H+](C)C(C)C)sn1 ZINC000404421384 384991261 /nfs/dbraw/zinc/99/12/61/384991261.db2.gz CXAKYOQMYAGCSS-UHFFFAOYSA-N 2 1 241.404 2.271 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)C1CCCC1 ZINC000423516870 385013297 /nfs/dbraw/zinc/01/32/97/385013297.db2.gz YGAPKTZBVLPPJG-MCIONIFRSA-N 2 1 222.376 2.282 20 0 BEADMP C[NH+]1CCC([NH2+][C@H](c2cccnc2)C2CC2)CC1 ZINC000358357742 385015391 /nfs/dbraw/zinc/01/53/91/385015391.db2.gz RGVKXRVZRUFXKQ-HNNXBMFYSA-N 2 1 245.370 2.217 20 0 BEADMP Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)s1 ZINC000226437704 385019622 /nfs/dbraw/zinc/01/96/22/385019622.db2.gz AORCEYURGRJQLT-GFCCVEGCSA-N 2 1 238.400 2.488 20 0 BEADMP C[C@H](Cn1ccnc1)Nc1cc[nH+]cc1Cl ZINC000086833119 385052702 /nfs/dbraw/zinc/05/27/02/385052702.db2.gz IZRHXGMIGQMYNK-SECBINFHSA-N 2 1 236.706 2.432 20 0 BEADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cc(F)ccc1F ZINC000404756191 385053213 /nfs/dbraw/zinc/05/32/13/385053213.db2.gz BKYKLJVGDCHPOU-VXGBXAGGSA-N 2 1 240.297 2.180 20 0 BEADMP Cc1ccccc1CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000157049049 385059347 /nfs/dbraw/zinc/05/93/47/385059347.db2.gz RLJLOZDBQALZOY-GOEBONIOSA-N 2 1 246.398 2.467 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cccc(OC(F)F)c1 ZINC000235096455 385060459 /nfs/dbraw/zinc/06/04/59/385060459.db2.gz UGZPMINODIKVSA-DTWKUNHWSA-N 2 1 244.285 2.286 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cccc(Cl)c1 ZINC000235096197 385061164 /nfs/dbraw/zinc/06/11/64/385061164.db2.gz XVARVRUSLBDWPE-DTWKUNHWSA-N 2 1 212.724 2.338 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000157090870 385067078 /nfs/dbraw/zinc/06/70/78/385067078.db2.gz GYMNCFCUHOAHMO-ZJUUUORDSA-N 2 1 238.297 2.259 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000157116844 385078595 /nfs/dbraw/zinc/07/85/95/385078595.db2.gz XETDFYCGWJVXQD-KOLCDFICSA-N 2 1 240.297 2.134 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000157116844 385078606 /nfs/dbraw/zinc/07/86/06/385078606.db2.gz XETDFYCGWJVXQD-KOLCDFICSA-N 2 1 240.297 2.134 20 0 BEADMP C[N@@H+](CCCF)[C@H]1CCC[NH+](CCCF)CC1 ZINC000156986897 385036161 /nfs/dbraw/zinc/03/61/61/385036161.db2.gz PRIPDAVVWRXXJE-ZDUSSCGKSA-N 2 1 248.361 2.492 20 0 BEADMP C[NH+](CCCF)[C@H]1CCC[N@H+](CCCF)CC1 ZINC000156986897 385036167 /nfs/dbraw/zinc/03/61/67/385036167.db2.gz PRIPDAVVWRXXJE-ZDUSSCGKSA-N 2 1 248.361 2.492 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CCC1 ZINC000177943977 385140642 /nfs/dbraw/zinc/14/06/42/385140642.db2.gz FHNBTYNGADTUSR-VXGBXAGGSA-N 2 1 222.376 2.249 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C2CCC2)C1 ZINC000178184949 385195099 /nfs/dbraw/zinc/19/50/99/385195099.db2.gz VIUJXJAPEZGCBH-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157359248 385151633 /nfs/dbraw/zinc/15/16/33/385151633.db2.gz YLZGDSMJXRPIBA-ZDUSSCGKSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@H](C[NH2+][C@@H](C)c1ccccn1)C[NH+]1CCCC1 ZINC000062078018 385153415 /nfs/dbraw/zinc/15/34/15/385153415.db2.gz FAJNTDMJIWHGLL-KGLIPLIRSA-N 2 1 247.386 2.464 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CCCCC2)C[C@@]1(C)C[NH3+] ZINC000309179841 385169791 /nfs/dbraw/zinc/16/97/91/385169791.db2.gz BZLSSZCSECUOFT-TZMCWYRMSA-N 2 1 224.392 2.483 20 0 BEADMP CC1(C)CCC[N@@H+]1CC[NH2+]C[C@@H]1CCSC1 ZINC000449779005 385219793 /nfs/dbraw/zinc/21/97/93/385219793.db2.gz CNBHOBMCNZHKNS-LBPRGKRZSA-N 2 1 242.432 2.204 20 0 BEADMP CC1(C)CCC[N@H+]1CC[NH2+]C[C@@H]1CCSC1 ZINC000449779005 385219797 /nfs/dbraw/zinc/21/97/97/385219797.db2.gz CNBHOBMCNZHKNS-LBPRGKRZSA-N 2 1 242.432 2.204 20 0 BEADMP COC(C)(C)[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000300990301 385222526 /nfs/dbraw/zinc/22/25/26/385222526.db2.gz LNYLIOUSHRJATR-LBPRGKRZSA-N 2 1 230.396 2.120 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304562943 385238562 /nfs/dbraw/zinc/23/85/62/385238562.db2.gz LOBJZUAVAZXHEG-IGQOVBAYSA-N 2 1 222.376 2.106 20 0 BEADMP CC[C@H]1CC[C@@H]1[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000309209271 385204107 /nfs/dbraw/zinc/20/41/07/385204107.db2.gz SOUJZLGOIYEMLP-AGIUHOORSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCCC2)[C@@H]1C ZINC000336697655 385309562 /nfs/dbraw/zinc/30/95/62/385309562.db2.gz ZFZCZIFTEQEWAQ-UPJWGTAASA-N 2 1 224.392 2.495 20 0 BEADMP Cc1[nH+]cc(CNc2[nH+]ccn2CC(C)C)n1C ZINC000517759611 385316967 /nfs/dbraw/zinc/31/69/67/385316967.db2.gz RBCNUQPJMLNYEJ-UHFFFAOYSA-N 2 1 247.346 2.193 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C)[C@H](C)C1 ZINC000178677720 385316872 /nfs/dbraw/zinc/31/68/72/385316872.db2.gz FMWNDGYPTPCJLG-VXGBXAGGSA-N 2 1 212.381 2.352 20 0 BEADMP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1F ZINC000110978779 385263958 /nfs/dbraw/zinc/26/39/58/385263958.db2.gz VFKMFWCVACHQGE-ZDUSSCGKSA-N 2 1 236.334 2.305 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1F ZINC000110978779 385263967 /nfs/dbraw/zinc/26/39/67/385263967.db2.gz VFKMFWCVACHQGE-ZDUSSCGKSA-N 2 1 236.334 2.305 20 0 BEADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@H](C[NH3+])C2)C1 ZINC000647490854 385281454 /nfs/dbraw/zinc/28/14/54/385281454.db2.gz VOCAWENLJACLBV-QWHCGFSZSA-N 2 1 224.392 2.483 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000647490746 385282115 /nfs/dbraw/zinc/28/21/15/385282115.db2.gz NDWBLKZIYZLIMO-LBPRGKRZSA-N 2 1 241.338 2.015 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000647490379 385283192 /nfs/dbraw/zinc/28/31/92/385283192.db2.gz STQAPCZSKNGZLR-CYBMUJFWSA-N 2 1 241.338 2.015 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CC(C)C1 ZINC000308908070 385284731 /nfs/dbraw/zinc/28/47/31/385284731.db2.gz CZJIQQKBDCRLNE-CPCZMJQVSA-N 2 1 212.381 2.495 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CC(C)C1 ZINC000308908070 385284737 /nfs/dbraw/zinc/28/47/37/385284737.db2.gz CZJIQQKBDCRLNE-CPCZMJQVSA-N 2 1 212.381 2.495 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1C ZINC000228064159 385323867 /nfs/dbraw/zinc/32/38/67/385323867.db2.gz XERLLWGCXCOUPZ-UKRRQHHQSA-N 2 1 232.371 2.473 20 0 BEADMP CC[NH+](CC)CCCn1c[nH+]c(C)c1C ZINC000191790748 385325020 /nfs/dbraw/zinc/32/50/20/385325020.db2.gz PBSZXPWMLUFFCX-UHFFFAOYSA-N 2 1 209.337 2.232 20 0 BEADMP CC(C)OCCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000180456051 385391548 /nfs/dbraw/zinc/39/15/48/385391548.db2.gz WPXOVBAQPRWDRA-KGLIPLIRSA-N 2 1 242.407 2.264 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC1(C)C ZINC000309072619 385404052 /nfs/dbraw/zinc/40/40/52/385404052.db2.gz GFMIBBDQVVZFBF-NEPJUHHUSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC1(C)C ZINC000309072619 385404055 /nfs/dbraw/zinc/40/40/55/385404055.db2.gz GFMIBBDQVVZFBF-NEPJUHHUSA-N 2 1 212.381 2.493 20 0 BEADMP Cc1ccc(C)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193608745 385404522 /nfs/dbraw/zinc/40/45/22/385404522.db2.gz CKIPAKDBYSDDFO-IYBDPMFKSA-N 2 1 244.382 2.297 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193608745 385404526 /nfs/dbraw/zinc/40/45/26/385404526.db2.gz CKIPAKDBYSDDFO-IYBDPMFKSA-N 2 1 244.382 2.297 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193608745 385404529 /nfs/dbraw/zinc/40/45/29/385404529.db2.gz CKIPAKDBYSDDFO-IYBDPMFKSA-N 2 1 244.382 2.297 20 0 BEADMP Cc1ccc(F)cc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193622596 385404684 /nfs/dbraw/zinc/40/46/84/385404684.db2.gz HGMCKPLAIICMJF-OKILXGFUSA-N 2 1 248.345 2.128 20 0 BEADMP Cc1ccc(F)cc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193622596 385404687 /nfs/dbraw/zinc/40/46/87/385404687.db2.gz HGMCKPLAIICMJF-OKILXGFUSA-N 2 1 248.345 2.128 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193622596 385404692 /nfs/dbraw/zinc/40/46/92/385404692.db2.gz HGMCKPLAIICMJF-OKILXGFUSA-N 2 1 248.345 2.128 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193622596 385404695 /nfs/dbraw/zinc/40/46/95/385404695.db2.gz HGMCKPLAIICMJF-OKILXGFUSA-N 2 1 248.345 2.128 20 0 BEADMP CCC1CC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000309176631 385451482 /nfs/dbraw/zinc/45/14/82/385451482.db2.gz MXTLLXBUADMFJA-QCXCNERSSA-N 2 1 210.365 2.247 20 0 BEADMP CCC1CC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000309176631 385451485 /nfs/dbraw/zinc/45/14/85/385451485.db2.gz MXTLLXBUADMFJA-QCXCNERSSA-N 2 1 210.365 2.247 20 0 BEADMP COCCC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000183934488 385482276 /nfs/dbraw/zinc/48/22/76/385482276.db2.gz GNTQCZBBKZQHNI-STQMWFEESA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)CC[N@H+]1C ZINC000302212376 385505150 /nfs/dbraw/zinc/50/51/50/385505150.db2.gz PYMQNPWHXDBPDP-IJLUTSLNSA-N 2 1 246.345 2.494 20 0 BEADMP COC1(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)CCCC1 ZINC000318932276 385525717 /nfs/dbraw/zinc/52/57/17/385525717.db2.gz ANVVYQUHFWOLFB-OLZOCXBDSA-N 2 1 240.391 2.005 20 0 BEADMP COC(C)(C)[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000302456438 385526847 /nfs/dbraw/zinc/52/68/47/385526847.db2.gz OVENEFPLUTZTBF-NSHDSACASA-N 2 1 240.391 2.016 20 0 BEADMP CC1(C)CC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000309371248 385553919 /nfs/dbraw/zinc/55/39/19/385553919.db2.gz BZWVDASKOFNOOB-DGCLKSJQSA-N 2 1 222.376 2.391 20 0 BEADMP CC(C)(C)CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000309388810 385559663 /nfs/dbraw/zinc/55/96/63/385559663.db2.gz SPOTUJVGAJGNGR-XQQFMLRXSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)[C@H]1C ZINC000336650096 385604808 /nfs/dbraw/zinc/60/48/08/385604808.db2.gz DLMNUWGYZLETME-CZXHOFHRSA-N 2 1 222.376 2.105 20 0 BEADMP FCCCCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000309487523 385607683 /nfs/dbraw/zinc/60/76/83/385607683.db2.gz YPCMRZRBJZUAID-UHFFFAOYSA-N 2 1 228.355 2.202 20 0 BEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnccc2C)C1 ZINC000269572492 385608885 /nfs/dbraw/zinc/60/88/85/385608885.db2.gz BLYANYYHMQHOAO-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnccc2C)C1 ZINC000269572492 385608889 /nfs/dbraw/zinc/60/88/89/385608889.db2.gz BLYANYYHMQHOAO-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnccc2C)C1 ZINC000269572492 385608896 /nfs/dbraw/zinc/60/88/96/385608896.db2.gz BLYANYYHMQHOAO-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnccc2C)C1 ZINC000269572492 385608903 /nfs/dbraw/zinc/60/89/03/385608903.db2.gz BLYANYYHMQHOAO-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP Cc1[nH]c2nc[nH+]c(N[C@H](C)C[C@H](C)[NH3+])c2c1C ZINC000647711441 385613121 /nfs/dbraw/zinc/61/31/21/385613121.db2.gz SFVRAKSUCUEYKL-JGVFFNPUSA-N 2 1 247.346 2.112 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000336653168 385658916 /nfs/dbraw/zinc/65/89/16/385658916.db2.gz FZYLVRLPFGTQPB-IGQOVBAYSA-N 2 1 224.392 2.338 20 0 BEADMP CC(C)[C@H](C[NH2+]C[C@@H]1C[C@@H]1C)[NH+]1CCCC1 ZINC000336685305 385685463 /nfs/dbraw/zinc/68/54/63/385685463.db2.gz TYYHCCHHQMINLV-IHRRRGAJSA-N 2 1 224.392 2.352 20 0 BEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CC1CCOCC1 ZINC000414854168 385691574 /nfs/dbraw/zinc/69/15/74/385691574.db2.gz UODHHMAGSDLUBW-JSGCOSHPSA-N 2 1 242.407 2.155 20 0 BEADMP C(CC1CCCC1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309588475 385715234 /nfs/dbraw/zinc/71/52/34/385715234.db2.gz XLQHNOFTEHLHMD-OKILXGFUSA-N 2 1 222.376 2.108 20 0 BEADMP C[C@@H](C[NH2+]Cc1cc2cccnc2o1)C[NH+](C)C ZINC000451172866 385667877 /nfs/dbraw/zinc/66/78/77/385667877.db2.gz PNJXREMEPOELKV-NSHDSACASA-N 2 1 247.342 2.115 20 0 BEADMP C[NH2+]CCC[NH2+]Cc1cc(Cl)cs1 ZINC000414858271 385734152 /nfs/dbraw/zinc/73/41/52/385734152.db2.gz IQSAQJSFFURTLD-UHFFFAOYSA-N 2 1 218.753 2.101 20 0 BEADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1CCC1 ZINC000414860676 385744205 /nfs/dbraw/zinc/74/42/05/385744205.db2.gz QDQQJEPGWBIMMC-CYBMUJFWSA-N 2 1 247.386 2.340 20 0 BEADMP C[C@@H](CCC1CC1)[NH2+]C1CC[NH+](C)CC1 ZINC000186213949 385750252 /nfs/dbraw/zinc/75/02/52/385750252.db2.gz WTGDYFIBJCVMLX-NSHDSACASA-N 2 1 210.365 2.249 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]CC2CCCCC2)CC1 ZINC000309682855 385787515 /nfs/dbraw/zinc/78/75/15/385787515.db2.gz ZXQBOUUYVPDIQN-UHFFFAOYSA-N 2 1 222.376 2.418 20 0 BEADMP c1nc2c([nH]1)CC[C@@H]([NH2+]C1CCCCC1)C2 ZINC000309675423 385781953 /nfs/dbraw/zinc/78/19/53/385781953.db2.gz LOOPTMYIULBACB-LLVKDONJSA-N 2 1 219.332 2.189 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000336735777 385721345 /nfs/dbraw/zinc/72/13/45/385721345.db2.gz MAWKXCMBFYPEIA-STQMWFEESA-N 2 1 244.448 2.450 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000336735777 385721348 /nfs/dbraw/zinc/72/13/48/385721348.db2.gz MAWKXCMBFYPEIA-STQMWFEESA-N 2 1 244.448 2.450 20 0 BEADMP C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1)C[NH+](C)C ZINC000291814043 385726668 /nfs/dbraw/zinc/72/66/68/385726668.db2.gz YOKDPNPUFBWMDA-JTQLQIEISA-N 2 1 242.313 2.252 20 0 BEADMP CCC[NH2+]CC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000414871521 385856745 /nfs/dbraw/zinc/85/67/45/385856745.db2.gz OEBQFAIGJUCGDM-LBPRGKRZSA-N 2 1 238.350 2.346 20 0 BEADMP C[C@H]([NH2+]CCc1cccc(F)c1)[C@@H]1CCC[NH2+]1 ZINC000400424668 385816608 /nfs/dbraw/zinc/81/66/08/385816608.db2.gz YERMNKJXLBSPIT-FZMZJTMJSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@H]([NH2+][C@H]1CCS[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000647804761 385838991 /nfs/dbraw/zinc/83/89/91/385838991.db2.gz YIDNHYPUVUPKCB-YFKTTZPYSA-N 2 1 228.405 2.001 20 0 BEADMP CC(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000112341315 385840126 /nfs/dbraw/zinc/84/01/26/385840126.db2.gz VJNQQHQMQXDHRS-VXGBXAGGSA-N 2 1 210.365 2.249 20 0 BEADMP CCCCC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000123648937 385898417 /nfs/dbraw/zinc/89/84/17/385898417.db2.gz YKQAFECUDOOMIC-LBPRGKRZSA-N 2 1 200.370 2.482 20 0 BEADMP CC(C)CC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000123706854 385904830 /nfs/dbraw/zinc/90/48/30/385904830.db2.gz XXAAOWPQSJOXJT-GFCCVEGCSA-N 2 1 200.370 2.338 20 0 BEADMP Cc1ccc(CN2CC[C@H]3CC[N@H+](C)C[C@H]32)o1 ZINC000272544121 385911222 /nfs/dbraw/zinc/91/12/22/385911222.db2.gz CGCXPEIMNBVDPR-TZMCWYRMSA-N 2 1 234.343 2.114 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]3CCN(C)C[C@H]32)o1 ZINC000272544121 385911228 /nfs/dbraw/zinc/91/12/28/385911228.db2.gz CGCXPEIMNBVDPR-TZMCWYRMSA-N 2 1 234.343 2.114 20 0 BEADMP C[C@H](C[NH3+])C[NH2+]Cc1c(F)cccc1Cl ZINC000414877745 385929690 /nfs/dbraw/zinc/92/96/90/385929690.db2.gz NFBGUHMBIGEKGK-MRVPVSSYSA-N 2 1 230.714 2.164 20 0 BEADMP CCOc1ccccc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414966961 385924673 /nfs/dbraw/zinc/92/46/73/385924673.db2.gz XCCPGDKXWOUVCW-TZMCWYRMSA-N 2 1 248.370 2.173 20 0 BEADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1C ZINC000250874404 385927574 /nfs/dbraw/zinc/92/75/74/385927574.db2.gz HVAODTRYECNVOX-OCCSQVGLSA-N 2 1 248.370 2.173 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000414872200 385864672 /nfs/dbraw/zinc/86/46/72/385864672.db2.gz VZZSPZBEIUTSSE-DZGCQCFKSA-N 2 1 232.371 2.207 20 0 BEADMP C[C@@H](C[NH2+][C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000414872201 385864940 /nfs/dbraw/zinc/86/49/40/385864940.db2.gz VZZSPZBEIUTSSE-HIFRSBDPSA-N 2 1 232.371 2.207 20 0 BEADMP CC[C@H](C[NH2+]C[C@H]1C[C@H]1C)[NH+]1CCCC1 ZINC000336741658 385866623 /nfs/dbraw/zinc/86/66/23/385866623.db2.gz VYDUXGNLDQENJE-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1CCC[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414878038 385928371 /nfs/dbraw/zinc/92/83/71/385928371.db2.gz MZLGZHROSOYISR-ZFWWWQNUSA-N 2 1 247.386 2.340 20 0 BEADMP c1ncn2c1C[N@@H+](CCCc1ccccc1)CC2 ZINC000647940766 385882698 /nfs/dbraw/zinc/88/26/98/385882698.db2.gz YLKZFQIWXNMHCQ-UHFFFAOYSA-N 2 1 241.338 2.332 20 0 BEADMP c1ncn2c1CN(CCCc1ccccc1)CC2 ZINC000647940766 385882703 /nfs/dbraw/zinc/88/27/03/385882703.db2.gz YLKZFQIWXNMHCQ-UHFFFAOYSA-N 2 1 241.338 2.332 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](OC)C[C@H]1C ZINC000338365490 385980301 /nfs/dbraw/zinc/98/03/01/385980301.db2.gz RRRZLWMSCZNAFB-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](OC)C[C@@H]1C ZINC000338365487 385981756 /nfs/dbraw/zinc/98/17/56/385981756.db2.gz RRRZLWMSCZNAFB-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP COc1ccccc1/C=C/C[NH2+]CC1([NH3+])CCC1 ZINC000414878322 385937684 /nfs/dbraw/zinc/93/76/84/385937684.db2.gz HCLNEPOWAXKREI-QPJJXVBHSA-N 2 1 246.354 2.179 20 0 BEADMP CC[N@H+](CC[NH2+][C@H](C)[C@H]1C[C@H]1C)C(C)C ZINC000414080089 385950820 /nfs/dbraw/zinc/95/08/20/385950820.db2.gz SRMMWHORSFWPKB-UPJWGTAASA-N 2 1 212.381 2.351 20 0 BEADMP CC[N@@H+](CC[NH2+][C@H](C)[C@H]1C[C@H]1C)C(C)C ZINC000414080089 385950828 /nfs/dbraw/zinc/95/08/28/385950828.db2.gz SRMMWHORSFWPKB-UPJWGTAASA-N 2 1 212.381 2.351 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304648724 385954836 /nfs/dbraw/zinc/95/48/36/385954836.db2.gz YAYJLFNFVBABBH-BFHYXJOUSA-N 2 1 224.392 2.495 20 0 BEADMP Cn1cccc1[C@H]1CCC[N@H+]1CCn1ccnc1 ZINC000272998538 385958519 /nfs/dbraw/zinc/95/85/19/385958519.db2.gz RRFUEAPOUSQYGC-CQSZACIVSA-N 2 1 244.342 2.059 20 0 BEADMP CN(CCC[N@@H+](C)CC1CC1)Cc1ccco1 ZINC000285850871 385971042 /nfs/dbraw/zinc/97/10/42/385971042.db2.gz XWESJAKHVQHBRQ-UHFFFAOYSA-N 2 1 236.359 2.443 20 0 BEADMP CC[C@H]1CCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000336751137 386007156 /nfs/dbraw/zinc/00/71/56/386007156.db2.gz ZYWIEDVXTSBOBJ-WCQYABFASA-N 2 1 221.348 2.131 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1cc(C)cc(C)c1 ZINC000414980564 386056263 /nfs/dbraw/zinc/05/62/63/386056263.db2.gz PRFDNQOJQZDROC-ZDUSSCGKSA-N 2 1 206.333 2.130 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000414974652 386012313 /nfs/dbraw/zinc/01/23/13/386012313.db2.gz DVDOSKUXMADMGC-SNVBAGLBSA-N 2 1 242.750 2.176 20 0 BEADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000414168743 386013953 /nfs/dbraw/zinc/01/39/53/386013953.db2.gz ALBZJVPCLYPJRD-ZIAGYGMSSA-N 2 1 247.386 2.464 20 0 BEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccnc1 ZINC000414185506 386025146 /nfs/dbraw/zinc/02/51/46/386025146.db2.gz OTDAYPUSAYMWGX-UONOGXRCSA-N 2 1 247.386 2.464 20 0 BEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@H]1C[C@H]1C ZINC000414191448 386030408 /nfs/dbraw/zinc/03/04/08/386030408.db2.gz RYPGHNVLTJJKGS-RFGFWPKPSA-N 2 1 224.392 2.352 20 0 BEADMP c1ccc2c(c1)CCC([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC000335063435 386031937 /nfs/dbraw/zinc/03/19/37/386031937.db2.gz PMLPLVKXCFTFDE-MRXNPFEDSA-N 2 1 244.382 2.276 20 0 BEADMP Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)nc1 ZINC000334428600 386035885 /nfs/dbraw/zinc/03/58/85/386035885.db2.gz SQGWDTAKIKYWNR-DZGCQCFKSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)nc1 ZINC000334428600 386035893 /nfs/dbraw/zinc/03/58/93/386035893.db2.gz SQGWDTAKIKYWNR-DZGCQCFKSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)nc1 ZINC000334428606 386037522 /nfs/dbraw/zinc/03/75/22/386037522.db2.gz SQGWDTAKIKYWNR-ZFWWWQNUSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)nc1 ZINC000334428606 386037530 /nfs/dbraw/zinc/03/75/30/386037530.db2.gz SQGWDTAKIKYWNR-ZFWWWQNUSA-N 2 1 247.386 2.162 20 0 BEADMP CC[C@H](C[NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000414884374 386040502 /nfs/dbraw/zinc/04/05/02/386040502.db2.gz ODIITHGTXJLHCV-OCCSQVGLSA-N 2 1 218.344 2.132 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1cccc2cccnc21 ZINC000414980521 386055207 /nfs/dbraw/zinc/05/52/07/386055207.db2.gz PNWZSAQCABYQMX-CYBMUJFWSA-N 2 1 229.327 2.062 20 0 BEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccoc2C)C1 ZINC000414301419 386109088 /nfs/dbraw/zinc/10/90/88/386109088.db2.gz MWVFOXZUKSUOPI-ZDUSSCGKSA-N 2 1 236.359 2.410 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccoc2C)C1 ZINC000414301419 386109093 /nfs/dbraw/zinc/10/90/93/386109093.db2.gz MWVFOXZUKSUOPI-ZDUSSCGKSA-N 2 1 236.359 2.410 20 0 BEADMP COC1([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC000414311379 386114475 /nfs/dbraw/zinc/11/44/75/386114475.db2.gz UTHUOCRNJRNUCL-AVGNSLFASA-N 2 1 240.391 2.016 20 0 BEADMP COC1([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC000414311379 386114484 /nfs/dbraw/zinc/11/44/84/386114484.db2.gz UTHUOCRNJRNUCL-AVGNSLFASA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@@H](C)[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336729572 386117191 /nfs/dbraw/zinc/11/71/91/386117191.db2.gz JDKSUNLPZLSPQU-NEPJUHHUSA-N 2 1 210.365 2.273 20 0 BEADMP CCC[N@H+]1CC[C@H](CNCc2ccoc2C)C1 ZINC000414320279 386117542 /nfs/dbraw/zinc/11/75/42/386117542.db2.gz SFTMJEPLFDMJJH-CYBMUJFWSA-N 2 1 236.359 2.410 20 0 BEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccoc2C)C1 ZINC000414320279 386117550 /nfs/dbraw/zinc/11/75/50/386117550.db2.gz SFTMJEPLFDMJJH-CYBMUJFWSA-N 2 1 236.359 2.410 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccoc2C)C1 ZINC000414320279 386117557 /nfs/dbraw/zinc/11/75/57/386117557.db2.gz SFTMJEPLFDMJJH-CYBMUJFWSA-N 2 1 236.359 2.410 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000414665939 386117772 /nfs/dbraw/zinc/11/77/72/386117772.db2.gz VXFQYYIWAGMNET-ZNMIVQPWSA-N 2 1 230.355 2.213 20 0 BEADMP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000414665939 386117778 /nfs/dbraw/zinc/11/77/78/386117778.db2.gz VXFQYYIWAGMNET-ZNMIVQPWSA-N 2 1 230.355 2.213 20 0 BEADMP COCC[C@@H](C)[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000345207514 386060620 /nfs/dbraw/zinc/06/06/20/386060620.db2.gz KXWSPQJEBJXKCR-MCIONIFRSA-N 2 1 242.407 2.264 20 0 BEADMP COCC[C@@H](C)[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000345207514 386060625 /nfs/dbraw/zinc/06/06/25/386060625.db2.gz KXWSPQJEBJXKCR-MCIONIFRSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1c(C)cc(C)cc1C ZINC000414982126 386063142 /nfs/dbraw/zinc/06/31/42/386063142.db2.gz RLBPOAWFLJGYRA-ZDUSSCGKSA-N 2 1 220.360 2.439 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000414981763 386069499 /nfs/dbraw/zinc/06/94/99/386069499.db2.gz CASRPWIYWAAGBE-LLVKDONJSA-N 2 1 249.383 2.432 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CC2(C)C)[C@@H](C)C1 ZINC000414221860 386075864 /nfs/dbraw/zinc/07/58/64/386075864.db2.gz MUAGHNVKEZFJBD-TUAOUCFPSA-N 2 1 210.365 2.105 20 0 BEADMP C1CC1[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000414886556 386078061 /nfs/dbraw/zinc/07/80/61/386078061.db2.gz HLQWSKKLQKDFLP-RDBSUJKOSA-N 2 1 222.376 2.297 20 0 BEADMP Cc1cncc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000274352042 386090784 /nfs/dbraw/zinc/09/07/84/386090784.db2.gz GMZXRWSXGODEKH-CYBMUJFWSA-N 2 1 245.370 2.303 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1F ZINC000414280086 386092213 /nfs/dbraw/zinc/09/22/13/386092213.db2.gz BYRGRJHGFINFQL-FVCCEPFGSA-N 2 1 228.355 2.197 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1F ZINC000414280086 386092217 /nfs/dbraw/zinc/09/22/17/386092217.db2.gz BYRGRJHGFINFQL-FVCCEPFGSA-N 2 1 228.355 2.197 20 0 BEADMP c1ccc(C[C@@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647876845 386145694 /nfs/dbraw/zinc/14/56/94/386145694.db2.gz BCUXBKUZSJYEHB-JKSUJKDBSA-N 2 1 244.382 2.161 20 0 BEADMP [NH3+]CCC[N@H+]1CCC[C@H]1c1cccs1 ZINC000414685592 386172262 /nfs/dbraw/zinc/17/22/62/386172262.db2.gz ZXVBHUQBQHSKIE-JTQLQIEISA-N 2 1 210.346 2.234 20 0 BEADMP [NH3+]CCC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000414685593 386172850 /nfs/dbraw/zinc/17/28/50/386172850.db2.gz ZXVBHUQBQHSKIE-SNVBAGLBSA-N 2 1 210.346 2.234 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000310429087 386184488 /nfs/dbraw/zinc/18/44/88/386184488.db2.gz MSKQCNUTWGXNMQ-STQMWFEESA-N 2 1 242.407 2.262 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000310429087 386184491 /nfs/dbraw/zinc/18/44/91/386184491.db2.gz MSKQCNUTWGXNMQ-STQMWFEESA-N 2 1 242.407 2.262 20 0 BEADMP CO[C@H](C)C[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000414691360 386187448 /nfs/dbraw/zinc/18/74/48/386187448.db2.gz BJWMLFVSFYSUIV-MGPQQGTHSA-N 2 1 242.407 2.120 20 0 BEADMP [NH3+]CCC[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000414670353 386134549 /nfs/dbraw/zinc/13/45/49/386134549.db2.gz DBMPHTQXLYFYJT-LLVKDONJSA-N 2 1 210.346 2.234 20 0 BEADMP C[C@@H](CCc1ccc(F)cc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000414891226 386136503 /nfs/dbraw/zinc/13/65/03/386136503.db2.gz WDPVIWZQWFBHOE-FZMZJTMJSA-N 2 1 236.334 2.098 20 0 BEADMP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414891237 386137447 /nfs/dbraw/zinc/13/74/47/386137447.db2.gz WENUPQKYSAAKNW-ILXRZTDVSA-N 2 1 248.345 2.413 20 0 BEADMP [NH3+][C@@H](C[NH2+]C/C=C/c1ccccc1)C1CC1 ZINC000414891005 386137649 /nfs/dbraw/zinc/13/76/49/386137649.db2.gz HUYGYXZONSHKOI-GBXSZLQWSA-N 2 1 216.328 2.027 20 0 BEADMP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414891225 386138006 /nfs/dbraw/zinc/13/80/06/386138006.db2.gz WDPVIWZQWFBHOE-BXUZGUMPSA-N 2 1 236.334 2.098 20 0 BEADMP [NH3+][C@H](C[NH2+]C/C=C\c1ccccc1)C1CC1 ZINC000414891008 386138600 /nfs/dbraw/zinc/13/86/00/386138600.db2.gz HUYGYXZONSHKOI-HJHHMULASA-N 2 1 216.328 2.027 20 0 BEADMP Fc1cccc(C[N@H+](C[C@@H]2CC[NH2+]C2)C2CC2)c1 ZINC000647874844 386143514 /nfs/dbraw/zinc/14/35/14/386143514.db2.gz CTHZUGWZRIZMPC-CYBMUJFWSA-N 2 1 248.345 2.400 20 0 BEADMP Fc1cccc(C[N@@H+](C[C@@H]2CC[NH2+]C2)C2CC2)c1 ZINC000647874844 386143517 /nfs/dbraw/zinc/14/35/17/386143517.db2.gz CTHZUGWZRIZMPC-CYBMUJFWSA-N 2 1 248.345 2.400 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000414991008 386143484 /nfs/dbraw/zinc/14/34/84/386143484.db2.gz PVADEXZRQZRRRV-LLVKDONJSA-N 2 1 226.751 2.475 20 0 BEADMP C[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000647874665 386143726 /nfs/dbraw/zinc/14/37/26/386143726.db2.gz KUMBBEGGYWAXCY-SWLSCSKDSA-N 2 1 230.355 2.215 20 0 BEADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000647874663 386144047 /nfs/dbraw/zinc/14/40/47/386144047.db2.gz KUMBBEGGYWAXCY-DOMZBBRYSA-N 2 1 230.355 2.215 20 0 BEADMP Cc1cc(C)c(C[NH2+]C[C@H]([NH3+])C2CC2)c(C)c1 ZINC000414896722 386208157 /nfs/dbraw/zinc/20/81/57/386208157.db2.gz PTDILRGYAGRUTE-HNNXBMFYSA-N 2 1 232.371 2.439 20 0 BEADMP CCc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000131547183 386209333 /nfs/dbraw/zinc/20/93/33/386209333.db2.gz HMBKIVGFRFODGX-SWLSCSKDSA-N 2 1 232.371 2.418 20 0 BEADMP C[C@H](c1ccccn1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414702605 386210104 /nfs/dbraw/zinc/21/01/04/386210104.db2.gz ICUZAHJLTBWGLW-MGPQQGTHSA-N 2 1 247.386 2.463 20 0 BEADMP [NH3+][C@H](C[NH2+]Cc1cccc(Cl)c1)C1CC1 ZINC000414896918 386210931 /nfs/dbraw/zinc/21/09/31/386210931.db2.gz PZEHPMHLDCDHEG-GFCCVEGCSA-N 2 1 224.735 2.167 20 0 BEADMP C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CCC[NH3+] ZINC000414707050 386216384 /nfs/dbraw/zinc/21/63/84/386216384.db2.gz NJOIFMFQZSCKFU-JSGCOSHPSA-N 2 1 218.344 2.213 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1ccccc1N1CCCC1 ZINC000347075865 386217136 /nfs/dbraw/zinc/21/71/36/386217136.db2.gz UTYRJHYGNKSDFL-UHFFFAOYSA-N 2 1 247.386 2.067 20 0 BEADMP COc1ccccc1/C=C\C[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000415000444 386223410 /nfs/dbraw/zinc/22/34/10/386223410.db2.gz BDFFPQADNYBIJB-CNNCQTGTSA-N 2 1 234.343 2.034 20 0 BEADMP Fc1ccc(F)c(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000132262503 386229539 /nfs/dbraw/zinc/22/95/39/386229539.db2.gz DIRAKOLWDHHDBI-JTQLQIEISA-N 2 1 240.297 2.054 20 0 BEADMP CCC[N@H+](Cc1ccc(C)cn1)C1CC[NH2+]CC1 ZINC000347113278 386231729 /nfs/dbraw/zinc/23/17/29/386231729.db2.gz RNCIDDOGQXAGHX-UHFFFAOYSA-N 2 1 247.386 2.354 20 0 BEADMP CCC[N@@H+](Cc1ccc(C)cn1)C1CC[NH2+]CC1 ZINC000347113278 386231732 /nfs/dbraw/zinc/23/17/32/386231732.db2.gz RNCIDDOGQXAGHX-UHFFFAOYSA-N 2 1 247.386 2.354 20 0 BEADMP CCC[C@H](CC)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000125230651 386234571 /nfs/dbraw/zinc/23/45/71/386234571.db2.gz DOHFINOLJHAOKA-STQMWFEESA-N 2 1 212.381 2.497 20 0 BEADMP COc1ccc([C@@H](C)C[N@H+]2CCC[C@H]2CN)cc1 ZINC000347125410 386236453 /nfs/dbraw/zinc/23/64/53/386236453.db2.gz YFVPLCJEWFKGCU-JSGCOSHPSA-N 2 1 248.370 2.222 20 0 BEADMP COc1ccc([C@@H](C)C[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000347125410 386236460 /nfs/dbraw/zinc/23/64/60/386236460.db2.gz YFVPLCJEWFKGCU-JSGCOSHPSA-N 2 1 248.370 2.222 20 0 BEADMP COc1ccc([C@@H](C)C[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000347125410 386236462 /nfs/dbraw/zinc/23/64/62/386236462.db2.gz YFVPLCJEWFKGCU-JSGCOSHPSA-N 2 1 248.370 2.222 20 0 BEADMP COc1ccc([C@@H](C)C[N@H+]2CCC[C@@H]2CN)cc1 ZINC000347125402 386237867 /nfs/dbraw/zinc/23/78/67/386237867.db2.gz YFVPLCJEWFKGCU-GXTWGEPZSA-N 2 1 248.370 2.222 20 0 BEADMP COc1ccc([C@@H](C)C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000347125402 386237878 /nfs/dbraw/zinc/23/78/78/386237878.db2.gz YFVPLCJEWFKGCU-GXTWGEPZSA-N 2 1 248.370 2.222 20 0 BEADMP COc1ccc([C@@H](C)C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000347125402 386237880 /nfs/dbraw/zinc/23/78/80/386237880.db2.gz YFVPLCJEWFKGCU-GXTWGEPZSA-N 2 1 248.370 2.222 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000347084561 386242547 /nfs/dbraw/zinc/24/25/47/386242547.db2.gz AQRHTURSQQOLON-ZIYVKSGCSA-N 2 1 234.318 2.120 20 0 BEADMP COc1c(C)cc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1C ZINC000347096019 386248193 /nfs/dbraw/zinc/24/81/93/386248193.db2.gz ITAJNOKAPPUJFS-ZDUSSCGKSA-N 2 1 248.370 2.093 20 0 BEADMP CC[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000336645801 386254865 /nfs/dbraw/zinc/25/48/65/386254865.db2.gz IYLMZJBEEUMYET-QWHCGFSZSA-N 2 1 210.365 2.345 20 0 BEADMP CC[C@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000336645801 386254868 /nfs/dbraw/zinc/25/48/68/386254868.db2.gz IYLMZJBEEUMYET-QWHCGFSZSA-N 2 1 210.365 2.345 20 0 BEADMP CC[C@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000336645801 386254874 /nfs/dbraw/zinc/25/48/74/386254874.db2.gz IYLMZJBEEUMYET-QWHCGFSZSA-N 2 1 210.365 2.345 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@H]1C[C@H](OCC)C1(C)C ZINC000414693093 386193580 /nfs/dbraw/zinc/19/35/80/386193580.db2.gz DLNHAMLHEMFOJN-STQMWFEESA-N 2 1 242.407 2.251 20 0 BEADMP CCCCO[C@H]1C[C@@H]([N@@H+](C)CCC[NH3+])C1(C)C ZINC000414696039 386197245 /nfs/dbraw/zinc/19/72/45/386197245.db2.gz AULASGGQKUCTAW-OLZOCXBDSA-N 2 1 242.407 2.251 20 0 BEADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)c1cccc(O)c1 ZINC000647880367 386197577 /nfs/dbraw/zinc/19/75/77/386197577.db2.gz NSWXFNYNFLZJHY-QWHCGFSZSA-N 2 1 248.370 2.385 20 0 BEADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414730037 386282104 /nfs/dbraw/zinc/28/21/04/386282104.db2.gz GIFQTBMEDFWVBL-HRCADAONSA-N 2 1 244.382 2.461 20 0 BEADMP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@H](C)[NH3+] ZINC000647885813 386286000 /nfs/dbraw/zinc/28/60/00/386286000.db2.gz SPMDJOGBIFSYLQ-SMDDNHRTSA-N 2 1 218.344 2.343 20 0 BEADMP CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](C)[NH3+] ZINC000647885813 386286004 /nfs/dbraw/zinc/28/60/04/386286004.db2.gz SPMDJOGBIFSYLQ-SMDDNHRTSA-N 2 1 218.344 2.343 20 0 BEADMP Cc1ccc(C[C@H](C)[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000647886090 386293585 /nfs/dbraw/zinc/29/35/85/386293585.db2.gz PZSZCUFLZUATQV-GOEBONIOSA-N 2 1 246.398 2.467 20 0 BEADMP C[C@H]1c2ccc(F)cc2CC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647886653 386299027 /nfs/dbraw/zinc/29/90/27/386299027.db2.gz FZFWJYMTYPJIAP-NWDGAFQWSA-N 2 1 248.345 2.354 20 0 BEADMP C[C@H]1c2ccc(F)cc2CC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647886653 386299029 /nfs/dbraw/zinc/29/90/29/386299029.db2.gz FZFWJYMTYPJIAP-NWDGAFQWSA-N 2 1 248.345 2.354 20 0 BEADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC1CC1 ZINC000336652059 386267235 /nfs/dbraw/zinc/26/72/35/386267235.db2.gz WFKANKVNJCPTMR-ZDUSSCGKSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC1CC1 ZINC000336652059 386267240 /nfs/dbraw/zinc/26/72/40/386267240.db2.gz WFKANKVNJCPTMR-ZDUSSCGKSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC1CC1 ZINC000336652059 386267243 /nfs/dbraw/zinc/26/72/43/386267243.db2.gz WFKANKVNJCPTMR-ZDUSSCGKSA-N 2 1 210.365 2.203 20 0 BEADMP Cc1nc2ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc2s1 ZINC000415006862 386345646 /nfs/dbraw/zinc/34/56/46/386345646.db2.gz CAPIABQYPFOQIP-IUCAKERBSA-N 2 1 249.383 2.430 20 0 BEADMP Cc1nc2ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc2s1 ZINC000415006859 386347706 /nfs/dbraw/zinc/34/77/06/386347706.db2.gz CAPIABQYPFOQIP-DTWKUNHWSA-N 2 1 249.383 2.430 20 0 BEADMP CC[C@H]1Cc2ccccc2C[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647989239 386348106 /nfs/dbraw/zinc/34/81/06/386348106.db2.gz ZUUBRVLXARIXIJ-BBRMVZONSA-N 2 1 244.382 2.433 20 0 BEADMP Cc1cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc2cccnc12 ZINC000415007225 386354561 /nfs/dbraw/zinc/35/45/61/386354561.db2.gz CKLDMSHDABSCBD-VXGBXAGGSA-N 2 1 243.354 2.369 20 0 BEADMP CC(C)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335278950 386360646 /nfs/dbraw/zinc/36/06/46/386360646.db2.gz MVYUTFHMGCPUQH-GFCCVEGCSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@]1(c2ccccc2)CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647890173 386367253 /nfs/dbraw/zinc/36/72/53/386367253.db2.gz WSOIPYCXMNFCPP-ZBFHGGJFSA-N 2 1 244.382 2.260 20 0 BEADMP CC(C)C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647890132 386368032 /nfs/dbraw/zinc/36/80/32/386368032.db2.gz TWIFOQDGLBBYHH-UONOGXRCSA-N 2 1 224.392 2.354 20 0 BEADMP COC(C)(C)CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000336695686 386373383 /nfs/dbraw/zinc/37/33/83/386373383.db2.gz OEJPZEDCLYUITP-ZDUSSCGKSA-N 2 1 242.407 2.075 20 0 BEADMP COC(C)(C)CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000336695686 386373387 /nfs/dbraw/zinc/37/33/87/386373387.db2.gz OEJPZEDCLYUITP-ZDUSSCGKSA-N 2 1 242.407 2.075 20 0 BEADMP COC(C)(C)CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000336695686 386373394 /nfs/dbraw/zinc/37/33/94/386373394.db2.gz OEJPZEDCLYUITP-ZDUSSCGKSA-N 2 1 242.407 2.075 20 0 BEADMP CC(C)CC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335275913 386335100 /nfs/dbraw/zinc/33/51/00/386335100.db2.gz BCEJLUOANBYPCP-ZDUSSCGKSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]([NH3+])C[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000442664154 386413663 /nfs/dbraw/zinc/41/36/63/386413663.db2.gz LRFNTTQTFPVJAT-NSHDSACASA-N 2 1 236.334 2.180 20 0 BEADMP C[C@H]([NH3+])C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000442664154 386413672 /nfs/dbraw/zinc/41/36/72/386413672.db2.gz LRFNTTQTFPVJAT-NSHDSACASA-N 2 1 236.334 2.180 20 0 BEADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000442664519 386417337 /nfs/dbraw/zinc/41/73/37/386417337.db2.gz MIVLPTMPCXHEAK-FZMZJTMJSA-N 2 1 236.334 2.180 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000442664519 386417348 /nfs/dbraw/zinc/41/73/48/386417348.db2.gz MIVLPTMPCXHEAK-FZMZJTMJSA-N 2 1 236.334 2.180 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCCC12CCC2 ZINC000414762665 386423787 /nfs/dbraw/zinc/42/37/87/386423787.db2.gz WKDCILUERNWBHH-LBPRGKRZSA-N 2 1 210.365 2.378 20 0 BEADMP CC[C@@H]1C[C@@H](C)C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000399163029 386428898 /nfs/dbraw/zinc/42/88/98/386428898.db2.gz LOLHRVQTVQATEM-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C1CC1 ZINC000336777715 386429621 /nfs/dbraw/zinc/42/96/21/386429621.db2.gz JIDQNOBXEFQBMP-VIFPVBQESA-N 2 1 239.388 2.093 20 0 BEADMP C[C@H]1C[C@@H](C[N@H+]2CCCC[C@@H](C)C2)CC[NH2+]1 ZINC000414765496 386431446 /nfs/dbraw/zinc/43/14/46/386431446.db2.gz ZXXREUTUXGURLN-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(O)c2)CC1 ZINC000277434259 386433792 /nfs/dbraw/zinc/43/37/92/386433792.db2.gz JRRASPMFLQVTAJ-CQSZACIVSA-N 2 1 248.370 2.308 20 0 BEADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)CC1 ZINC000277434259 386433799 /nfs/dbraw/zinc/43/37/99/386433799.db2.gz JRRASPMFLQVTAJ-CQSZACIVSA-N 2 1 248.370 2.308 20 0 BEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CC12CC2 ZINC000417345929 386488321 /nfs/dbraw/zinc/48/83/21/386488321.db2.gz YMAJJKXIYJALCK-YNEHKIRRSA-N 2 1 220.360 2.003 20 0 BEADMP C[N@@H+](C/C=C\c1ccc(F)cc1)C1CC([NH3+])C1 ZINC000414779453 386492553 /nfs/dbraw/zinc/49/25/53/386492553.db2.gz REVONVMBYBFKDV-IHWYPQMZSA-N 2 1 234.318 2.260 20 0 BEADMP Cc1ccc2cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])ccc2n1 ZINC000415014132 386497970 /nfs/dbraw/zinc/49/79/70/386497970.db2.gz LHZQWYKCAWJLGW-RYUDHWBXSA-N 2 1 243.354 2.369 20 0 BEADMP Cc1ccc2cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])ccc2n1 ZINC000415014134 386498232 /nfs/dbraw/zinc/49/82/32/386498232.db2.gz LHZQWYKCAWJLGW-VXGBXAGGSA-N 2 1 243.354 2.369 20 0 BEADMP C[C@@H]([NH2+]Cc1coc2ccccc12)[C@H](C)[NH3+] ZINC000415015731 386501003 /nfs/dbraw/zinc/50/10/03/386501003.db2.gz ZCVSLBZAFIGQJZ-VHSXEESVSA-N 2 1 218.300 2.258 20 0 BEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(OC(F)F)c1 ZINC000415015703 386501201 /nfs/dbraw/zinc/50/12/01/386501201.db2.gz YYRANPXKDRPDHR-BDAKNGLRSA-N 2 1 244.285 2.113 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(OC(F)F)c1 ZINC000415015705 386501300 /nfs/dbraw/zinc/50/13/00/386501300.db2.gz YYRANPXKDRPDHR-IUCAKERBSA-N 2 1 244.285 2.113 20 0 BEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CC12CC2 ZINC000417331083 386501631 /nfs/dbraw/zinc/50/16/31/386501631.db2.gz BEQNPVDIANGHMU-LLVKDONJSA-N 2 1 220.360 2.003 20 0 BEADMP CCC[C@@H](C)C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415050431 386506443 /nfs/dbraw/zinc/50/64/43/386506443.db2.gz CLWROHRWPYCJSZ-JHJVBQTASA-N 2 1 212.381 2.339 20 0 BEADMP Cc1oc2ccccc2c1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415020396 386507835 /nfs/dbraw/zinc/50/78/35/386507835.db2.gz ATRUUWCPHUIKBL-NHAGDIPZSA-N 2 1 242.322 2.049 20 0 BEADMP c1ccc2cc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)ccc2c1 ZINC000415019886 386509222 /nfs/dbraw/zinc/50/92/22/386509222.db2.gz ABMOUJZQOZZEFF-ZSHCYNCHSA-N 2 1 238.334 2.147 20 0 BEADMP Cc1cc(Cl)ccc1C[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000415022561 386511252 /nfs/dbraw/zinc/51/12/52/386511252.db2.gz VLXACXXRLZXCMW-ZJUUUORDSA-N 2 1 226.751 2.474 20 0 BEADMP Cc1cc(Cl)ccc1C[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000415022560 386512461 /nfs/dbraw/zinc/51/24/61/386512461.db2.gz VLXACXXRLZXCMW-VHSXEESVSA-N 2 1 226.751 2.474 20 0 BEADMP c1cn(CC[N@H+]2CC[C@H](CC3CC3)C2)cn1 ZINC000339674265 386514716 /nfs/dbraw/zinc/51/47/16/386514716.db2.gz UJVBSKNSXPAEKB-CYBMUJFWSA-N 2 1 219.332 2.005 20 0 BEADMP COc1cccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)c1 ZINC000415033661 386521126 /nfs/dbraw/zinc/52/11/26/386521126.db2.gz BTTKFRVNAOIPRV-HNNXBMFYSA-N 2 1 248.370 2.302 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000163470351 386523677 /nfs/dbraw/zinc/52/36/77/386523677.db2.gz HGWYNHIXNXPMCB-DZGCQCFKSA-N 2 1 232.371 2.412 20 0 BEADMP C[C@@H]([NH2+]Cc1ccc2ncccc2c1)[C@H](C)[NH3+] ZINC000415010361 386455978 /nfs/dbraw/zinc/45/59/78/386455978.db2.gz OYWILMCAJZEGFN-WDEREUQCSA-N 2 1 229.327 2.060 20 0 BEADMP COCc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000094338929 386457562 /nfs/dbraw/zinc/45/75/62/386457562.db2.gz ZQNBPLZTTNPUAA-DOMZBBRYSA-N 2 1 248.370 2.002 20 0 BEADMP c1ncc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)[nH]1 ZINC000245558346 386598170 /nfs/dbraw/zinc/59/81/70/386598170.db2.gz KPPHYYXJBJVJJM-CMPLNLGQSA-N 2 1 205.305 2.174 20 0 BEADMP c1ncc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)[nH]1 ZINC000245558346 386598176 /nfs/dbraw/zinc/59/81/76/386598176.db2.gz KPPHYYXJBJVJJM-CMPLNLGQSA-N 2 1 205.305 2.174 20 0 BEADMP Fc1cccc(CCC[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000415076356 386581400 /nfs/dbraw/zinc/58/14/00/386581400.db2.gz AWFWHXPNXXEALC-CQSZACIVSA-N 2 1 236.334 2.100 20 0 BEADMP CCSCC[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000336781310 386584887 /nfs/dbraw/zinc/58/48/87/386584887.db2.gz UINJDPPNPLQGJF-CYBMUJFWSA-N 2 1 244.448 2.450 20 0 BEADMP CCc1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000414800601 386586886 /nfs/dbraw/zinc/58/68/86/386586886.db2.gz SFMJEHLLMIBZFK-CQSZACIVSA-N 2 1 220.360 2.322 20 0 BEADMP C[C@H](CCC1CC1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414922757 386593868 /nfs/dbraw/zinc/59/38/68/386593868.db2.gz GLWXWZNVPIHNPD-NQBHXWOUSA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000415045937 386531472 /nfs/dbraw/zinc/53/14/72/386531472.db2.gz CBVKCONUHFMKAF-ZDUSSCGKSA-N 2 1 246.358 2.026 20 0 BEADMP C[C@H](C[NH2+][C@@H](C[NH3+])C1CC1)Cc1ccccc1 ZINC000414802741 386596595 /nfs/dbraw/zinc/59/65/95/386596595.db2.gz NASHBRRIAHYRJH-WFASDCNBSA-N 2 1 232.371 2.192 20 0 BEADMP c1sc2ccccc2c1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415046911 386533717 /nfs/dbraw/zinc/53/37/17/386533717.db2.gz XXBBGIFBHUTDHE-IMRBUKKESA-N 2 1 244.363 2.209 20 0 BEADMP c1ccc2c(c1)CCC[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000062944686 386534483 /nfs/dbraw/zinc/53/44/83/386534483.db2.gz FMCXFELUBFBZQN-AWEZNQCLSA-N 2 1 244.382 2.434 20 0 BEADMP c1ccc2c(c1)CCC[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000062944685 386534826 /nfs/dbraw/zinc/53/48/26/386534826.db2.gz FMCXFELUBFBZQN-CQSZACIVSA-N 2 1 244.382 2.434 20 0 BEADMP CC(C)CCC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000415054820 386538110 /nfs/dbraw/zinc/53/81/10/386538110.db2.gz MZJFDVBGWGUQQW-LLVKDONJSA-N 2 1 200.370 2.386 20 0 BEADMP COC1CCC([NH2+][C@@H](C[NH3+])C2CCCC2)CC1 ZINC000415064167 386544413 /nfs/dbraw/zinc/54/44/13/386544413.db2.gz KCIXYOYXFQKXHV-RUXDESIVSA-N 2 1 240.391 2.051 20 0 BEADMP Cc1ncsc1C[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415069421 386551102 /nfs/dbraw/zinc/55/11/02/386551102.db2.gz SORHDOQMPAEUSL-NSHDSACASA-N 2 1 239.388 2.059 20 0 BEADMP COC[C@@H](CC(C)C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415070129 386551329 /nfs/dbraw/zinc/55/13/29/386551329.db2.gz UNKBEIFDCBMIJO-KGLIPLIRSA-N 2 1 242.407 2.155 20 0 BEADMP CCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647974963 386556494 /nfs/dbraw/zinc/55/64/94/386556494.db2.gz DQEKWVANEYFEFO-OLZOCXBDSA-N 2 1 210.365 2.108 20 0 BEADMP [NH3+]C[C@H]([NH2+]C1Cc2ccccc2C1)C1CCCC1 ZINC000415071620 386564343 /nfs/dbraw/zinc/56/43/43/386564343.db2.gz WTEXSKKJZPATKA-INIZCTEOSA-N 2 1 244.382 2.261 20 0 BEADMP C(C1CCC1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976490 386571999 /nfs/dbraw/zinc/57/19/99/386571999.db2.gz PMUQGZKWINISHH-GJZGRUSLSA-N 2 1 236.403 2.498 20 0 BEADMP C[N@H+](CCN)CCCCCOc1ccccc1 ZINC000415102995 386623097 /nfs/dbraw/zinc/62/30/97/386623097.db2.gz FGTFQUVGOKVRDG-UHFFFAOYSA-N 2 1 236.359 2.126 20 0 BEADMP C[N@H+](CC[NH3+])CCCCCOc1ccccc1 ZINC000415102995 386623109 /nfs/dbraw/zinc/62/31/09/386623109.db2.gz FGTFQUVGOKVRDG-UHFFFAOYSA-N 2 1 236.359 2.126 20 0 BEADMP C[N@@H+](CC[NH3+])CCCCCOc1ccccc1 ZINC000415102995 386623118 /nfs/dbraw/zinc/62/31/18/386623118.db2.gz FGTFQUVGOKVRDG-UHFFFAOYSA-N 2 1 236.359 2.126 20 0 BEADMP C[NH2+]CCC[N@H+](C)C/C=C\c1ccc(F)cc1 ZINC000415127528 386633427 /nfs/dbraw/zinc/63/34/27/386633427.db2.gz IKFHPZGYOOOEEA-HYXAFXHYSA-N 2 1 236.334 2.380 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C/C=C\c1ccc(F)cc1 ZINC000415127528 386633431 /nfs/dbraw/zinc/63/34/31/386633431.db2.gz IKFHPZGYOOOEEA-HYXAFXHYSA-N 2 1 236.334 2.380 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000049708877 386639108 /nfs/dbraw/zinc/63/91/08/386639108.db2.gz PYOLQBREACEXHT-TZMCWYRMSA-N 2 1 218.344 2.164 20 0 BEADMP COCC(C)(C)C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453601031 386644215 /nfs/dbraw/zinc/64/42/15/386644215.db2.gz SUAYXBSUOZLLCT-UHFFFAOYSA-N 2 1 242.407 2.123 20 0 BEADMP CC(C)C[C@@H](C)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000337200792 386647450 /nfs/dbraw/zinc/64/74/50/386647450.db2.gz FHROTHHTNXIBRX-MCIONIFRSA-N 2 1 224.392 2.162 20 0 BEADMP CC(C)C[C@@H](C)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000337200792 386647455 /nfs/dbraw/zinc/64/74/55/386647455.db2.gz FHROTHHTNXIBRX-MCIONIFRSA-N 2 1 224.392 2.162 20 0 BEADMP CC(C)C[C@@H](C)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000337200792 386647463 /nfs/dbraw/zinc/64/74/63/386647463.db2.gz FHROTHHTNXIBRX-MCIONIFRSA-N 2 1 224.392 2.162 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000049256937 386604839 /nfs/dbraw/zinc/60/48/39/386604839.db2.gz NQVHXPBFGWWFRY-CQSZACIVSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000049256937 386604843 /nfs/dbraw/zinc/60/48/43/386604843.db2.gz NQVHXPBFGWWFRY-CQSZACIVSA-N 2 1 218.344 2.227 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)C(C)(C)c1ccccc1 ZINC000415091710 386611046 /nfs/dbraw/zinc/61/10/46/386611046.db2.gz ZQRAPLDKYGZTPC-GXTWGEPZSA-N 2 1 232.371 2.304 20 0 BEADMP CC(C)Oc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000414806454 386616055 /nfs/dbraw/zinc/61/60/55/386616055.db2.gz QJAZVJNJJWBGDG-HNNXBMFYSA-N 2 1 248.370 2.301 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@H]1CCC[C@@H](C2CC2)C1)C1CC1 ZINC000414807427 386617599 /nfs/dbraw/zinc/61/75/99/386617599.db2.gz QYXBSALLLMEMSR-RDBSUJKOSA-N 2 1 222.376 2.282 20 0 BEADMP C[C@H](C[NH2+][C@@H](C[NH3+])C1CC1)c1ccc(F)cc1 ZINC000414807480 386618992 /nfs/dbraw/zinc/61/89/92/386618992.db2.gz OCGFIJJNBZSFDH-YGRLFVJLSA-N 2 1 236.334 2.256 20 0 BEADMP C[NH2+]CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000414819535 386660705 /nfs/dbraw/zinc/66/07/05/386660705.db2.gz AKHWMBYRAFGHKT-CABCVRRESA-N 2 1 232.371 2.207 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000414819861 386662222 /nfs/dbraw/zinc/66/22/22/386662222.db2.gz ZVNZSQLAJLKVFP-IUODEOHRSA-N 3 1 249.402 2.169 20 0 BEADMP C[NH2+]CC[NH2+]CCCCCOc1ccccc1 ZINC000414822766 386673401 /nfs/dbraw/zinc/67/34/01/386673401.db2.gz HALCWJXBINRBEA-UHFFFAOYSA-N 2 1 236.359 2.045 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCC2(C)CC2)CC[N@H+]1C ZINC000336760060 386677383 /nfs/dbraw/zinc/67/73/83/386677383.db2.gz LYHRGWAZWWKIHI-VXGBXAGGSA-N 2 1 210.365 2.249 20 0 BEADMP [NH3+]CCOCC[N@@H+](CC1CC1)C1CCCCC1 ZINC000357074756 386709154 /nfs/dbraw/zinc/70/91/54/386709154.db2.gz NIMYZPLKYINONJ-UHFFFAOYSA-N 2 1 240.391 2.006 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cnc(C(C)C)s1 ZINC000414830804 386709449 /nfs/dbraw/zinc/70/94/49/386709449.db2.gz CLCLBPOYEFOOPI-JTQLQIEISA-N 2 1 241.404 2.212 20 0 BEADMP CC(C)(C)[NH2+]CC[NH2+]CCc1ccccc1 ZINC000066184161 386686687 /nfs/dbraw/zinc/68/66/87/386686687.db2.gz WWAMHJFPHSCELV-UHFFFAOYSA-N 2 1 220.360 2.207 20 0 BEADMP [NH3+][C@@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000050244025 386691547 /nfs/dbraw/zinc/69/15/47/386691547.db2.gz FJDYLFLOLRRGFQ-SNVBAGLBSA-N 2 1 247.729 2.426 20 0 BEADMP CCC[C@H]([NH2+][C@H]1CCC[NH2+]C1)C1CCC1 ZINC000324926150 386694704 /nfs/dbraw/zinc/69/47/04/386694704.db2.gz MKQAWRXDCQWKJC-STQMWFEESA-N 2 1 210.365 2.297 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CC[C@@H](C(C)C)[C@@H](C)C1 ZINC000414833671 386712103 /nfs/dbraw/zinc/71/21/03/386712103.db2.gz STFKRFKASILRDU-XQQFMLRXSA-N 2 1 212.381 2.256 20 0 BEADMP C[NH2+]CC[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414828923 386702493 /nfs/dbraw/zinc/70/24/93/386702493.db2.gz LNAKLPJCFHVWFO-LSDHHAIUSA-N 2 1 232.371 2.306 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](C)CCc1ccccc1 ZINC000414837549 386734406 /nfs/dbraw/zinc/73/44/06/386734406.db2.gz XVGJULQVLYOREH-CYBMUJFWSA-N 2 1 220.360 2.207 20 0 BEADMP CC(C)CC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414929484 386736826 /nfs/dbraw/zinc/73/68/26/386736826.db2.gz NYUJBOPHJMTHRI-FRRDWIJNSA-N 2 1 212.381 2.399 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414929693 386738073 /nfs/dbraw/zinc/73/80/73/386738073.db2.gz OXOOBEMRXSSOGI-SNPRPXQTSA-N 2 1 232.371 2.434 20 0 BEADMP Cc1nccn1CC[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000335485500 386714122 /nfs/dbraw/zinc/71/41/22/386714122.db2.gz FPFUPLRVDIMAPC-NEPJUHHUSA-N 2 1 221.348 2.169 20 0 BEADMP Cc1nccn1CC[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000335485503 386715361 /nfs/dbraw/zinc/71/53/61/386715361.db2.gz FPFUPLRVDIMAPC-NWDGAFQWSA-N 2 1 221.348 2.169 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCSC1)C1CCCCC1 ZINC000414832085 386717051 /nfs/dbraw/zinc/71/70/51/386717051.db2.gz DFPQJMVSAGIIQR-OLZOCXBDSA-N 2 1 242.432 2.379 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000414834328 386724038 /nfs/dbraw/zinc/72/40/38/386724038.db2.gz TWMRPRRIXUGWJC-HUUCEWRRSA-N 2 1 232.371 2.207 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000414834329 386724264 /nfs/dbraw/zinc/72/42/64/386724264.db2.gz TWMRPRRIXUGWJC-LSDHHAIUSA-N 2 1 232.371 2.207 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnccc1C ZINC000279877617 386749917 /nfs/dbraw/zinc/74/99/17/386749917.db2.gz KAIPMNWBIDVGMG-UHFFFAOYSA-N 2 1 244.342 2.075 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000414843094 386758057 /nfs/dbraw/zinc/75/80/57/386758057.db2.gz JJDDOWGXIXYKPD-NWDGAFQWSA-N 2 1 212.381 2.400 20 0 BEADMP CC(C)C1CC([NH2+][C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000335538118 386741533 /nfs/dbraw/zinc/74/15/33/386741533.db2.gz GINYRYKMHIZAMQ-XVSSEFHLSA-N 2 1 210.365 2.151 20 0 BEADMP C[N@@H+](CC1CCCCC1)CC(C)(C)C[NH3+] ZINC000051283811 386780127 /nfs/dbraw/zinc/78/01/27/386780127.db2.gz WXWHWLZXSBIMMR-UHFFFAOYSA-N 2 1 212.381 2.483 20 0 BEADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H](C)C[NH3+] ZINC000300026065 386798805 /nfs/dbraw/zinc/79/88/05/386798805.db2.gz WGPPWDMEYYUMDH-FDYHWXHSSA-N 2 1 212.381 2.384 20 0 BEADMP CCCC[N@H+](C)CCNc1cc(C)[nH+]c(C)n1 ZINC000301230935 386825391 /nfs/dbraw/zinc/82/53/91/386825391.db2.gz JJYHADAHDLFKQT-UHFFFAOYSA-N 2 1 236.363 2.237 20 0 BEADMP CCCC[N@@H+](C)CCNc1cc(C)[nH+]c(C)n1 ZINC000301230935 386825399 /nfs/dbraw/zinc/82/53/99/386825399.db2.gz JJYHADAHDLFKQT-UHFFFAOYSA-N 2 1 236.363 2.237 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000414936204 386834753 /nfs/dbraw/zinc/83/47/53/386834753.db2.gz BSKIVZFFNOAIPO-QEJZJMRPSA-N 2 1 232.371 2.335 20 0 BEADMP Cc1cncc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c1 ZINC000293741737 386872770 /nfs/dbraw/zinc/87/27/70/386872770.db2.gz QRXGDMFVCLCEPS-QWHCGFSZSA-N 2 1 235.375 2.238 20 0 BEADMP C[N@H+](CC(C)(C)[NH3+])[C@H]1CCc2ccccc21 ZINC000334834206 386873859 /nfs/dbraw/zinc/87/38/59/386873859.db2.gz MBJHPFYWEPJPIG-ZDUSSCGKSA-N 2 1 218.344 2.343 20 0 BEADMP C[N@@H+](CC(C)(C)[NH3+])[C@H]1CCc2ccccc21 ZINC000334834206 386873863 /nfs/dbraw/zinc/87/38/63/386873863.db2.gz MBJHPFYWEPJPIG-ZDUSSCGKSA-N 2 1 218.344 2.343 20 0 BEADMP CC(C)[C@H](C[NH2+][C@@H](C)C[NH3+])c1ccccc1 ZINC000414940217 386876813 /nfs/dbraw/zinc/87/68/13/386876813.db2.gz HFSYKYHUUMLCDT-JSGCOSHPSA-N 2 1 220.360 2.363 20 0 BEADMP CC[N@H+](CC[NH2+][C@@H]1CCC1(C)C)C(C)C ZINC000336744932 386883042 /nfs/dbraw/zinc/88/30/42/386883042.db2.gz AAQPVGHHMGXJRS-GFCCVEGCSA-N 2 1 212.381 2.495 20 0 BEADMP CC[N@@H+](CC[NH2+][C@@H]1CCC1(C)C)C(C)C ZINC000336744932 386883046 /nfs/dbraw/zinc/88/30/46/386883046.db2.gz AAQPVGHHMGXJRS-GFCCVEGCSA-N 2 1 212.381 2.495 20 0 BEADMP CC1([NH2+]Cc2ccc(F)c(F)c2)CC[NH2+]CC1 ZINC000334842009 386885547 /nfs/dbraw/zinc/88/55/47/386885547.db2.gz IREFPVIFHZBMNB-UHFFFAOYSA-N 2 1 240.297 2.197 20 0 BEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000334857862 386910913 /nfs/dbraw/zinc/91/09/13/386910913.db2.gz PNQYGSNRRLWTLR-NOZJJQNGSA-N 2 1 240.297 2.052 20 0 BEADMP CC(C)C[N@@H+]1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000334859806 386912488 /nfs/dbraw/zinc/91/24/88/386912488.db2.gz LTLGGGILTHQJLW-GXTWGEPZSA-N 2 1 236.334 2.208 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2)CC[NH2+]1 ZINC000334864425 386920285 /nfs/dbraw/zinc/92/02/85/386920285.db2.gz PMOZHFDJNVDGJO-MWLCHTKSSA-N 2 1 240.297 2.195 20 0 BEADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1CCCSC1 ZINC000334867117 386924725 /nfs/dbraw/zinc/92/47/25/386924725.db2.gz ZWSDIWNCBHNYCW-VXGBXAGGSA-N 2 1 242.432 2.250 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]2SC)C1 ZINC000425358912 386974570 /nfs/dbraw/zinc/97/45/70/386974570.db2.gz RLZWXSJKVASKTL-UPJWGTAASA-N 2 1 242.432 2.202 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]2SC)C1 ZINC000425358910 386975058 /nfs/dbraw/zinc/97/50/58/386975058.db2.gz RLZWXSJKVASKTL-JHJVBQTASA-N 2 1 242.432 2.202 20 0 BEADMP CC/C=C/CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368631205 386996464 /nfs/dbraw/zinc/99/64/64/386996464.db2.gz GTXSFJOHKOJEKF-NNTXTVRGSA-N 2 1 222.376 2.370 20 0 BEADMP CC/C=C/CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368631205 386996469 /nfs/dbraw/zinc/99/64/69/386996469.db2.gz GTXSFJOHKOJEKF-NNTXTVRGSA-N 2 1 222.376 2.370 20 0 BEADMP CC/C=C/CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368631205 386996473 /nfs/dbraw/zinc/99/64/73/386996473.db2.gz GTXSFJOHKOJEKF-NNTXTVRGSA-N 2 1 222.376 2.370 20 0 BEADMP C[C@@H]1CCCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000334966023 387046785 /nfs/dbraw/zinc/04/67/85/387046785.db2.gz DNPNFIITOIVFAB-CHWSQXEVSA-N 2 1 210.365 2.108 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000126876118 387055920 /nfs/dbraw/zinc/05/59/20/387055920.db2.gz BPGOMUXXMHZNTA-TZMCWYRMSA-N 2 1 232.371 2.418 20 0 BEADMP CS[C@@H]1CC[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000425372832 387013763 /nfs/dbraw/zinc/01/37/63/387013763.db2.gz UFLLNTWOFWNUBK-FRRDWIJNSA-N 2 1 242.432 2.202 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1C[C@H]1C ZINC000322068552 387015699 /nfs/dbraw/zinc/01/56/99/387015699.db2.gz SECLLWXUOXFXOR-KSTCHIGDSA-N 2 1 224.392 2.493 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1C[C@H]1C ZINC000322068552 387015701 /nfs/dbraw/zinc/01/57/01/387015701.db2.gz SECLLWXUOXFXOR-KSTCHIGDSA-N 2 1 224.392 2.493 20 0 BEADMP COCc1cccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000216074710 387028280 /nfs/dbraw/zinc/02/82/80/387028280.db2.gz VZZIDNWGCVDTRL-WFASDCNBSA-N 2 1 248.370 2.002 20 0 BEADMP Cc1ccc([C@@H]([NH2+]CC2C[NH2+]C2)C2CCC2)o1 ZINC000423299047 387130259 /nfs/dbraw/zinc/13/02/59/387130259.db2.gz AYBOSSJVGJRAPX-AWEZNQCLSA-N 2 1 234.343 2.238 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)Cc1ccoc1 ZINC000423299683 387130334 /nfs/dbraw/zinc/13/03/34/387130334.db2.gz QKPSVWAGYZAKRZ-WCQYABFASA-N 2 1 224.348 2.318 20 0 BEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCOc1ccccc1 ZINC000111380559 387077178 /nfs/dbraw/zinc/07/71/78/387077178.db2.gz CGQYQFVSXUHDCN-CQSZACIVSA-N 2 1 248.370 2.269 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000070977044 387085171 /nfs/dbraw/zinc/08/51/71/387085171.db2.gz YWFCVJBBGWFRJN-DGCLKSJQSA-N 2 1 236.334 2.385 20 0 BEADMP CCc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000334997512 387090340 /nfs/dbraw/zinc/09/03/40/387090340.db2.gz DHWYBVVNHABFIP-IUODEOHRSA-N 2 1 232.371 2.418 20 0 BEADMP C[N@@H+](CCCC[NH2+][C@@H]1COC(C)(C)C1)C1CC1 ZINC000418082449 387091502 /nfs/dbraw/zinc/09/15/02/387091502.db2.gz IYPSKZZDJILSCH-LBPRGKRZSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(C)n1 ZINC000334998959 387092863 /nfs/dbraw/zinc/09/28/63/387092863.db2.gz XFYXEXVXOMYSJJ-OCCSQVGLSA-N 2 1 247.386 2.258 20 0 BEADMP CC[C@](C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)OC ZINC000322514413 387093510 /nfs/dbraw/zinc/09/35/10/387093510.db2.gz JTUQVBUJCCDHNK-HZSPNIEDSA-N 2 1 240.391 2.018 20 0 BEADMP Fc1cc(F)cc(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000228409689 387094241 /nfs/dbraw/zinc/09/42/41/387094241.db2.gz BBYMGNYGRUOVCK-UHFFFAOYSA-N 2 1 240.297 2.197 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000335006190 387101186 /nfs/dbraw/zinc/10/11/86/387101186.db2.gz BUSLEZPFNVRCLW-AAEUAGOBSA-N 2 1 222.376 2.297 20 0 BEADMP Cc1cc2cc(C[NH2+][C@H]3CCC[C@H]3[NH3+])ccc2[nH]1 ZINC000335008156 387103638 /nfs/dbraw/zinc/10/36/38/387103638.db2.gz HCZDQKXOOCMWLP-HIFRSBDPSA-N 2 1 243.354 2.446 20 0 BEADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1F ZINC000335025856 387118641 /nfs/dbraw/zinc/11/86/41/387118641.db2.gz MUAHSTMZKIUNLD-FZMZJTMJSA-N 2 1 236.334 2.303 20 0 BEADMP CC(C)CCOCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074169 387119105 /nfs/dbraw/zinc/11/91/05/387119105.db2.gz DYFOLNYXZWMXKA-CQSZACIVSA-N 2 1 242.407 2.110 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000335028094 387120641 /nfs/dbraw/zinc/12/06/41/387120641.db2.gz WJKZOZQDFHNAFT-KOLCDFICSA-N 2 1 232.318 2.152 20 0 BEADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(C)n1 ZINC000335030878 387126430 /nfs/dbraw/zinc/12/64/30/387126430.db2.gz TWXUAMLXVZEJQS-YIONKMFJSA-N 2 1 245.370 2.071 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)CC1(C)CC1 ZINC000571688844 387141374 /nfs/dbraw/zinc/14/13/74/387141374.db2.gz OQXPCGOFHORPBJ-UHFFFAOYSA-N 2 1 212.381 2.450 20 0 BEADMP [NH3+][C@@H](C[NH2+][C@@H]1CCc2cc(F)ccc21)C1CC1 ZINC000423310972 387149079 /nfs/dbraw/zinc/14/90/79/387149079.db2.gz BBGSEXUXXSTHEE-UONOGXRCSA-N 2 1 234.318 2.140 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423312836 387151250 /nfs/dbraw/zinc/15/12/50/387151250.db2.gz DUQKZPYQMLQLAQ-BXUZGUMPSA-N 2 1 218.344 2.383 20 0 BEADMP [NH3+][C@H](C[NH2+][C@H]1CCc2c1cccc2F)C1CC1 ZINC000423314695 387154282 /nfs/dbraw/zinc/15/42/82/387154282.db2.gz HNQIRAPUHZREKB-KGLIPLIRSA-N 2 1 234.318 2.140 20 0 BEADMP [NH3+][C@H](C[NH2+][C@H]1CCCc2c(O)cccc21)C1CC1 ZINC000423315198 387154741 /nfs/dbraw/zinc/15/47/41/387154741.db2.gz IRNMWXMMVNIUNZ-KGLIPLIRSA-N 2 1 246.354 2.097 20 0 BEADMP Cc1cccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000423315917 387156305 /nfs/dbraw/zinc/15/63/05/387156305.db2.gz JHHQDNLHMPKVJY-BXUZGUMPSA-N 2 1 218.344 2.383 20 0 BEADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccco1 ZINC000423319143 387158414 /nfs/dbraw/zinc/15/84/14/387158414.db2.gz CYZRKZDDAGXLLQ-YPMHNXCESA-N 2 1 222.332 2.320 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])cc1C ZINC000423320919 387162775 /nfs/dbraw/zinc/16/27/75/387162775.db2.gz GZUWCFVDUSXHLC-VXGBXAGGSA-N 2 1 206.333 2.301 20 0 BEADMP C[C@H](C[NH3+])[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423323063 387164370 /nfs/dbraw/zinc/16/43/70/387164370.db2.gz JJMJGRKLZKSKAU-LKSINWNRSA-N 2 1 240.391 2.194 20 0 BEADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000423323230 387164597 /nfs/dbraw/zinc/16/45/97/387164597.db2.gz OQXXLLWYNYAUGU-MFKMUULPSA-N 2 1 204.317 2.075 20 0 BEADMP Cc1cc(C)cc([C@H](C)[NH2+][C@H](C)C[NH3+])c1 ZINC000423329762 387173441 /nfs/dbraw/zinc/17/34/41/387173441.db2.gz OWNABSGZVWGUTQ-NEPJUHHUSA-N 2 1 206.333 2.301 20 0 BEADMP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+][C@H](C)C[NH3+])C1 ZINC000423331290 387175386 /nfs/dbraw/zinc/17/53/86/387175386.db2.gz QCCZDNQLKOMPCN-HZSPNIEDSA-N 2 1 247.386 2.353 20 0 BEADMP Cc1cccnc1[C@H]1CCC[C@H]([NH2+][C@H](C)C[NH3+])C1 ZINC000423331293 387176202 /nfs/dbraw/zinc/17/62/02/387176202.db2.gz QCCZDNQLKOMPCN-RDBSUJKOSA-N 2 1 247.386 2.353 20 0 BEADMP Cc1ccsc1[C@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423332459 387177199 /nfs/dbraw/zinc/17/71/99/387177199.db2.gz VFOXDHOCKMIGFM-GXSJLCMTSA-N 2 1 224.373 2.444 20 0 BEADMP [NH3+]C1(C[NH2+][C@H](c2cccnc2)C2CCC2)CCC1 ZINC000423333437 387180632 /nfs/dbraw/zinc/18/06/32/387180632.db2.gz RSPMMMZRAWEKHH-AWEZNQCLSA-N 2 1 245.370 2.394 20 0 BEADMP Cc1cccc(C[C@H]([NH2+][C@H](C)C[NH3+])C2CC2)c1 ZINC000423335441 387181589 /nfs/dbraw/zinc/18/15/89/387181589.db2.gz SZKPFHPQQXFPHG-DOMZBBRYSA-N 2 1 232.371 2.253 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000423338556 387187824 /nfs/dbraw/zinc/18/78/24/387187824.db2.gz WBMLOCBMBOZUFX-NOZJJQNGSA-N 2 1 222.307 2.214 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000423340819 387189428 /nfs/dbraw/zinc/18/94/28/387189428.db2.gz XLVUOSKJCKBJOT-VHSXEESVSA-N 2 1 242.313 2.223 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]1COCC ZINC000423302626 387134600 /nfs/dbraw/zinc/13/46/00/387134600.db2.gz VYDQXCJNAXTKBK-BFHYXJOUSA-N 2 1 242.407 2.299 20 0 BEADMP CC(C)CCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000119518437 387137678 /nfs/dbraw/zinc/13/76/78/387137678.db2.gz XZHWNNRZIWAMPW-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1CC[C@@H](C)[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000423303956 387137801 /nfs/dbraw/zinc/13/78/01/387137801.db2.gz NFDWZBKHGGITSA-FVCCEPFGSA-N 2 1 210.365 2.153 20 0 BEADMP CCc1cccnc1[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423354999 387205930 /nfs/dbraw/zinc/20/59/30/387205930.db2.gz DOJXHNKFRNIBFF-TZMCWYRMSA-N 2 1 247.386 2.437 20 0 BEADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423356319 387207957 /nfs/dbraw/zinc/20/79/57/387207957.db2.gz GMWBLFFMPZZJOB-VOAKCMCISA-N 2 1 210.365 2.153 20 0 BEADMP Cc1ccc(C[C@H]([NH2+][C@@H](C)C[NH3+])C2CC2)cc1 ZINC000423357829 387210021 /nfs/dbraw/zinc/21/00/21/387210021.db2.gz AXYNDNLMBXFCPA-WFASDCNBSA-N 2 1 232.371 2.253 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)[C@H](C)C1 ZINC000423359847 387210709 /nfs/dbraw/zinc/21/07/09/387210709.db2.gz KZIHCXXDEFHQNC-XHJNMGKDSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000423360863 387213134 /nfs/dbraw/zinc/21/31/34/387213134.db2.gz LRIDZLKLTOJQDZ-VJTDZRGJSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)[C@@H]1CC1(C)C ZINC000423360379 387213245 /nfs/dbraw/zinc/21/32/45/387213245.db2.gz LIFVRQDMDKETSW-WYUUTHIRSA-N 2 1 210.365 2.009 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000423362854 387215732 /nfs/dbraw/zinc/21/57/32/387215732.db2.gz ILBCOEYYZMDQGS-GXFFZTMASA-N 2 1 218.344 2.346 20 0 BEADMP CCc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])s1 ZINC000423367465 387219451 /nfs/dbraw/zinc/21/94/51/387219451.db2.gz MLYPYFBXMOCFCE-DTWKUNHWSA-N 2 1 212.362 2.308 20 0 BEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[NH3+])C12CCCCC2 ZINC000423369802 387223264 /nfs/dbraw/zinc/22/32/64/387223264.db2.gz OSELUCJGJXTKJE-RWMBFGLXSA-N 2 1 240.391 2.051 20 0 BEADMP Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)C[NH3+])c1 ZINC000423369824 387223331 /nfs/dbraw/zinc/22/33/31/387223331.db2.gz OWNABSGZVWGUTQ-RYUDHWBXSA-N 2 1 206.333 2.301 20 0 BEADMP CC[NH2+][C@H](C)C[NH2+][C@@H]1C[C@H](OC)C1(CC)CC ZINC000423369439 387223916 /nfs/dbraw/zinc/22/39/16/387223916.db2.gz CDLCWVUJRGOJEJ-UPJWGTAASA-N 2 1 242.407 2.168 20 0 BEADMP CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(F)cc1 ZINC000423372031 387227481 /nfs/dbraw/zinc/22/74/81/387227481.db2.gz QUZYAOWGASFNLM-JOYOIKCWSA-N 2 1 210.296 2.214 20 0 BEADMP c1ccc2c(c1)CCC[C@H]([NH2+][C@H]1CCC[NH2+]C1)C2 ZINC000643497134 387228314 /nfs/dbraw/zinc/22/83/14/387228314.db2.gz BBRBJKNFUIOHKF-HOTGVXAUSA-N 2 1 244.382 2.276 20 0 BEADMP CC(C)[C@H]([NH2+]CC1([NH3+])CCC1)c1cccnc1 ZINC000423325773 387230272 /nfs/dbraw/zinc/23/02/72/387230272.db2.gz LQXZUGDZWVQEMD-ZDUSSCGKSA-N 2 1 233.359 2.250 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423400212 387234012 /nfs/dbraw/zinc/23/40/12/387234012.db2.gz QARNTNGNXSYQTE-OUCADQQQSA-N 2 1 233.359 2.045 20 0 BEADMP C[NH2+][C@H](C)C[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000423400858 387234982 /nfs/dbraw/zinc/23/49/82/387234982.db2.gz VIPGREXGSLBIMT-UKRRQHHQSA-N 2 1 234.387 2.451 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000423405214 387240108 /nfs/dbraw/zinc/24/01/08/387240108.db2.gz SWZCQTNHALXBBV-IACUBPJLSA-N 2 1 248.370 2.169 20 0 BEADMP CCC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000423420572 387250338 /nfs/dbraw/zinc/25/03/38/387250338.db2.gz BOTJONGOMNQEDG-LJISPDSOSA-N 2 1 230.355 2.335 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2sccc21 ZINC000423421901 387250658 /nfs/dbraw/zinc/25/06/58/387250658.db2.gz CCHNRAXOUSEOEO-WSLQDRLSSA-N 2 1 248.395 2.494 20 0 BEADMP C[C@H](Cc1cccc(O)c1)[NH2+]C1CC[NH+](C)CC1 ZINC000360244999 387250991 /nfs/dbraw/zinc/25/09/91/387250991.db2.gz JLHBAOHAVAQABT-GFCCVEGCSA-N 2 1 248.370 2.007 20 0 BEADMP Cc1cc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)s1 ZINC000423422728 387250997 /nfs/dbraw/zinc/25/09/97/387250997.db2.gz DJRRDWXORZUXTQ-KMLBCRHOSA-N 2 1 236.384 2.233 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000423462129 387310319 /nfs/dbraw/zinc/31/03/19/387310319.db2.gz KIMSETGGRHHCOF-TZMCWYRMSA-N 2 1 236.359 2.473 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@@H]2C)CC1 ZINC000321912469 387311563 /nfs/dbraw/zinc/31/15/63/387311563.db2.gz PSVNIYOBRJDYEA-DMDPSCGWSA-N 2 1 210.365 2.105 20 0 BEADMP CC1(C)C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc21 ZINC000423430245 387254764 /nfs/dbraw/zinc/25/47/64/387254764.db2.gz KSXSDWLXIGYHTN-MYZSUADSSA-N 2 1 242.366 2.216 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc21 ZINC000423429451 387255007 /nfs/dbraw/zinc/25/50/07/387255007.db2.gz LLXHREMCCYGZFJ-FCHWROMDSA-N 2 1 228.339 2.042 20 0 BEADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423374401 387255267 /nfs/dbraw/zinc/25/52/67/387255267.db2.gz SVBUHGBKMRLPML-SDDRHHMPSA-N 2 1 236.359 2.124 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000423376276 387257243 /nfs/dbraw/zinc/25/72/43/387257243.db2.gz URZBGRRHZTZXKT-TVQRCGJNSA-N 2 1 222.307 2.140 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cncc(F)c1 ZINC000423376212 387257445 /nfs/dbraw/zinc/25/74/45/387257445.db2.gz KWJTWNQQFFHKKU-GIPNMCIBSA-N 2 1 237.322 2.012 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCC1CC1 ZINC000161717367 387260332 /nfs/dbraw/zinc/26/03/32/387260332.db2.gz JXOHPAMIXXVZAG-YRGRVCCFSA-N 2 1 224.392 2.495 20 0 BEADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C[NH3+])CCC2 ZINC000423379933 387263240 /nfs/dbraw/zinc/26/32/40/387263240.db2.gz YGGYOKCKILVYFZ-SMDDNHRTSA-N 2 1 218.344 2.309 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccccc1)C2 ZINC000263589585 387273836 /nfs/dbraw/zinc/27/38/36/387273836.db2.gz NIFBNIANYCOETB-PHZGNYQRSA-N 2 1 244.382 2.444 20 0 BEADMP CC(C)[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1cccnc1 ZINC000423434603 387286156 /nfs/dbraw/zinc/28/61/56/387286156.db2.gz DATBLIPHCGFNHO-WZRBSPASSA-N 2 1 221.348 2.104 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000423440096 387290632 /nfs/dbraw/zinc/29/06/32/387290632.db2.gz AMSRVYMJWWJWCG-NEPJUHHUSA-N 2 1 236.359 2.392 20 0 BEADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000423442108 387292777 /nfs/dbraw/zinc/29/27/77/387292777.db2.gz UVWOSLYSMQCTLT-KCPJHIHWSA-N 2 1 247.386 2.238 20 0 BEADMP COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000423444335 387294996 /nfs/dbraw/zinc/29/49/96/387294996.db2.gz LQJNOSZLFLLFDU-NRUUGDAUSA-N 2 1 234.343 2.008 20 0 BEADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000423449564 387297321 /nfs/dbraw/zinc/29/73/21/387297321.db2.gz RUXLIRNXFYKPJQ-GYSYKLTISA-N 2 1 218.344 2.308 20 0 BEADMP COc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])CCC2 ZINC000423449741 387297988 /nfs/dbraw/zinc/29/79/88/387297988.db2.gz RZDMGIMPLMBYFE-FIXISWKDSA-N 2 1 248.370 2.398 20 0 BEADMP CCC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1cccnc1 ZINC000423453727 387301150 /nfs/dbraw/zinc/30/11/50/387301150.db2.gz XYFNCFFRBRKSRF-GVXVVHGQSA-N 2 1 221.348 2.248 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCc2sccc21 ZINC000423455425 387303788 /nfs/dbraw/zinc/30/37/88/387303788.db2.gz CLYZFUGEQSZQCY-GXSJLCMTSA-N 2 1 224.373 2.452 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1sccc1C ZINC000423456871 387304502 /nfs/dbraw/zinc/30/45/02/387304502.db2.gz DVHRYAXNBAMWHE-ZJUUUORDSA-N 2 1 212.362 2.444 20 0 BEADMP C[C@@H]1C[C@H]1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352539481 387307238 /nfs/dbraw/zinc/30/72/38/387307238.db2.gz BCUPORVVHDLWTI-OCCSQVGLSA-N 2 1 224.392 2.483 20 0 BEADMP CC(C)[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423529102 387357366 /nfs/dbraw/zinc/35/73/66/387357366.db2.gz NWLONKPJOCGGPC-VHDGCEQUSA-N 2 1 232.371 2.376 20 0 BEADMP CCC[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccccn1 ZINC000643453404 387368261 /nfs/dbraw/zinc/36/82/61/387368261.db2.gz QFBGVMYKUVGYQZ-FZMZJTMJSA-N 2 1 233.359 2.120 20 0 BEADMP CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)CCO1 ZINC000423558372 387374590 /nfs/dbraw/zinc/37/45/90/387374590.db2.gz SJAWENNSDYTSGD-SDDRHHMPSA-N 2 1 249.358 2.102 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)C1(C)CC1 ZINC000423479670 387327058 /nfs/dbraw/zinc/32/70/58/387327058.db2.gz OOGIVSWJHSYDGQ-VHSXEESVSA-N 2 1 232.318 2.009 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000390434502 387327470 /nfs/dbraw/zinc/32/74/70/387327470.db2.gz RIBXNODXNWHORH-QWHCGFSZSA-N 2 1 222.376 2.251 20 0 BEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000354099578 387329431 /nfs/dbraw/zinc/32/94/31/387329431.db2.gz FXQUANQJOOORNT-AWEZNQCLSA-N 2 1 242.407 2.075 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCCc2ccc(O)cc21)[C@H](C)[NH3+] ZINC000423485237 387331540 /nfs/dbraw/zinc/33/15/40/387331540.db2.gz YZHXZBPHSOAWGU-RBZYPMLTSA-N 2 1 234.343 2.095 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000423485366 387332060 /nfs/dbraw/zinc/33/20/60/387332060.db2.gz ZFSKMZAUOOXVQL-DOMZBBRYSA-N 2 1 248.370 2.400 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000423484566 387332118 /nfs/dbraw/zinc/33/21/18/387332118.db2.gz YPCSRQUIAQIQGV-SWLSCSKDSA-N 2 1 248.370 2.400 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000515096815 387336103 /nfs/dbraw/zinc/33/61/03/387336103.db2.gz TUDYZPCAZPMTJP-MJBXVCDLSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000515096815 387336109 /nfs/dbraw/zinc/33/61/09/387336109.db2.gz TUDYZPCAZPMTJP-MJBXVCDLSA-N 2 1 242.407 2.120 20 0 BEADMP CC1(C)CC[C@H]1[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423497059 387338139 /nfs/dbraw/zinc/33/81/39/387338139.db2.gz FXKKISOCDBHCNU-VXGBXAGGSA-N 2 1 210.365 2.282 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)[C@@H]1C ZINC000423498503 387340470 /nfs/dbraw/zinc/34/04/70/387340470.db2.gz BJOCHYPAJPOBON-HUHANWACSA-N 2 1 244.382 2.376 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC12CCC2)C1CCCC1 ZINC000423504067 387342292 /nfs/dbraw/zinc/34/22/92/387342292.db2.gz NJBPYMYPBTYQGK-QWHCGFSZSA-N 2 1 222.376 2.426 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423502401 387343156 /nfs/dbraw/zinc/34/31/56/387343156.db2.gz LWAXFCXTLLHNRB-WXHSDQCUSA-N 2 1 210.365 2.282 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)[C@H]1C ZINC000423505283 387343754 /nfs/dbraw/zinc/34/37/54/387343754.db2.gz OHAMOFNXIOGIJN-URBCHYCLSA-N 2 1 210.365 2.138 20 0 BEADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)s1 ZINC000643500828 387345043 /nfs/dbraw/zinc/34/50/43/387345043.db2.gz XZDNXLKLEDCIRG-MWLCHTKSSA-N 2 1 239.388 2.102 20 0 BEADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)[C@H]1C[C@H]1C ZINC000423509575 387345384 /nfs/dbraw/zinc/34/53/84/387345384.db2.gz RPPNKHLJOOYRPH-VCDKRKBESA-N 2 1 210.365 2.138 20 0 BEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)[C@H]1C[C@H]1C ZINC000423509573 387346012 /nfs/dbraw/zinc/34/60/12/387346012.db2.gz RPPNKHLJOOYRPH-URBCHYCLSA-N 2 1 210.365 2.138 20 0 BEADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CCC1 ZINC000304004851 387423857 /nfs/dbraw/zinc/42/38/57/387423857.db2.gz SYEMWLFCOLLZIC-VXGBXAGGSA-N 2 1 242.432 2.202 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000515859442 387430115 /nfs/dbraw/zinc/43/01/15/387430115.db2.gz RNBUGZRFWBLHMN-MGPQQGTHSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000515859442 387430119 /nfs/dbraw/zinc/43/01/19/387430119.db2.gz RNBUGZRFWBLHMN-MGPQQGTHSA-N 2 1 242.407 2.121 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H](CC)Cc1cccs1 ZINC000643505250 387449669 /nfs/dbraw/zinc/44/96/69/387449669.db2.gz UCTASXCNKYNAPO-NSHDSACASA-N 2 1 226.389 2.268 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000361413974 387456670 /nfs/dbraw/zinc/45/66/70/387456670.db2.gz GLPUJJRNQYUONO-AWEZNQCLSA-N 2 1 242.407 2.218 20 0 BEADMP CC(C)c1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])on1 ZINC000643455251 387390668 /nfs/dbraw/zinc/39/06/68/387390668.db2.gz PFHAQBOSRYNVFU-VHSXEESVSA-N 2 1 225.336 2.013 20 0 BEADMP C[N@@H+](CC1CC[NH+](C)CC1)CC1(C)CC1 ZINC000515545652 387395820 /nfs/dbraw/zinc/39/58/20/387395820.db2.gz PFFVPYMIMINTPM-UHFFFAOYSA-N 2 1 210.365 2.060 20 0 BEADMP C[N@H+]1CCCC12CC[NH+](C[Si](C)(C)C)CC2 ZINC000374976357 387503326 /nfs/dbraw/zinc/50/33/26/387503326.db2.gz FXGCXUZITPCGMV-UHFFFAOYSA-N 2 1 240.467 2.424 20 0 BEADMP CCSCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000300900336 387522578 /nfs/dbraw/zinc/52/25/78/387522578.db2.gz IUUZLPLXKDBBFZ-YHWZYXNKSA-N 2 1 242.432 2.344 20 0 BEADMP COC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000361772910 387533382 /nfs/dbraw/zinc/53/33/82/387533382.db2.gz ZAFCOAFTZRDVQL-MJBXVCDLSA-N 2 1 242.407 2.120 20 0 BEADMP COC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000361772910 387533386 /nfs/dbraw/zinc/53/33/86/387533386.db2.gz ZAFCOAFTZRDVQL-MJBXVCDLSA-N 2 1 242.407 2.120 20 0 BEADMP CC[N@H+]1CC[C@@H](N(C)CC2(F)CC2)C[C@H]1C ZINC000527219149 387538442 /nfs/dbraw/zinc/53/84/42/387538442.db2.gz IHRZLMUDOXDWIL-VXGBXAGGSA-N 2 1 228.355 2.293 20 0 BEADMP CC[N@H+](CCC1CC1)CCn1cc[nH+]c1C ZINC000355056426 387471945 /nfs/dbraw/zinc/47/19/45/387471945.db2.gz KHUMNSVOELAZON-UHFFFAOYSA-N 2 1 221.348 2.314 20 0 BEADMP CC[N@@H+](CCC1CC1)CCn1cc[nH+]c1C ZINC000355056426 387471949 /nfs/dbraw/zinc/47/19/49/387471949.db2.gz KHUMNSVOELAZON-UHFFFAOYSA-N 2 1 221.348 2.314 20 0 BEADMP C(C[NH2+][C@@H]1CCC[C@H](C2CC2)C1)[NH2+]C1CC1 ZINC000643507065 387474103 /nfs/dbraw/zinc/47/41/03/387474103.db2.gz RBWQRYYJHSCZRN-GXTWGEPZSA-N 2 1 222.376 2.297 20 0 BEADMP CCc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000352778736 387475658 /nfs/dbraw/zinc/47/56/58/387475658.db2.gz WJPWTWWNHLRVCV-IUODEOHRSA-N 2 1 247.386 2.216 20 0 BEADMP CCc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000352778736 387475663 /nfs/dbraw/zinc/47/56/63/387475663.db2.gz WJPWTWWNHLRVCV-IUODEOHRSA-N 2 1 247.386 2.216 20 0 BEADMP C[C@H](CCC(F)(F)F)[NH2+]CC[NH2+]C1CC1 ZINC000643507586 387477180 /nfs/dbraw/zinc/47/71/80/387477180.db2.gz JJWOGIZBQQUOTM-MRVPVSSYSA-N 2 1 224.270 2.059 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC[N@@H+]1C ZINC000304424145 387478801 /nfs/dbraw/zinc/47/88/01/387478801.db2.gz AHHRONQSITVESW-XVIXHAIJSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC[N@H+]1C ZINC000304424145 387478806 /nfs/dbraw/zinc/47/88/06/387478806.db2.gz AHHRONQSITVESW-XVIXHAIJSA-N 2 1 222.376 2.247 20 0 BEADMP C(C[NH2+][C@@H]1CCCC[C@@H]1C1CC1)[NH2+]C1CC1 ZINC000643507716 387479215 /nfs/dbraw/zinc/47/92/15/387479215.db2.gz NNXXWUOEGHKYJA-ZIAGYGMSSA-N 2 1 222.376 2.297 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CC[NH2+]C2CC2)[C@@H](C)C1 ZINC000643507990 387481977 /nfs/dbraw/zinc/48/19/77/387481977.db2.gz YKBIVRMQWWTXIM-MDZLAQPJSA-N 2 1 210.365 2.153 20 0 BEADMP COC[C@H](C)C[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000527115918 387484070 /nfs/dbraw/zinc/48/40/70/387484070.db2.gz GGFVBXYHQZHONI-MCIONIFRSA-N 2 1 242.407 2.121 20 0 BEADMP COC[C@H](C)C[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000527115918 387484073 /nfs/dbraw/zinc/48/40/73/387484073.db2.gz GGFVBXYHQZHONI-MCIONIFRSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CC[NH2+]C2CC2)C[C@H]1C ZINC000643507452 387485964 /nfs/dbraw/zinc/48/59/64/387485964.db2.gz DVVLDBBQSBMIOM-WZRBSPASSA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)[NH+]1CCC([N@@H+](C)CCCF)CC1 ZINC000361556373 387487818 /nfs/dbraw/zinc/48/78/18/387487818.db2.gz GRKRZIJMIKQSAP-UHFFFAOYSA-N 2 1 216.344 2.151 20 0 BEADMP COc1cccc(C[C@@H]2CCC[N@H+]2CCC[NH3+])c1 ZINC000516258532 387491247 /nfs/dbraw/zinc/49/12/47/387491247.db2.gz GWKYWBZMIUFIMJ-AWEZNQCLSA-N 2 1 248.370 2.051 20 0 BEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc(C2CC2)c1 ZINC000422551349 387598222 /nfs/dbraw/zinc/59/82/22/387598222.db2.gz DKJLINGCUANIPC-GHMZBOCLSA-N 2 1 218.344 2.389 20 0 BEADMP CCCCOCCN1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000362348477 387598322 /nfs/dbraw/zinc/59/83/22/387598322.db2.gz JIGVCGGBLAOXQY-AWEZNQCLSA-N 2 1 242.407 2.077 20 0 BEADMP CCCCOCC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000362348477 387598326 /nfs/dbraw/zinc/59/83/26/387598326.db2.gz JIGVCGGBLAOXQY-AWEZNQCLSA-N 2 1 242.407 2.077 20 0 BEADMP CCCCOCC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000362348477 387598331 /nfs/dbraw/zinc/59/83/31/387598331.db2.gz JIGVCGGBLAOXQY-AWEZNQCLSA-N 2 1 242.407 2.077 20 0 BEADMP CCCCOCC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000362348477 387598335 /nfs/dbraw/zinc/59/83/35/387598335.db2.gz JIGVCGGBLAOXQY-AWEZNQCLSA-N 2 1 242.407 2.077 20 0 BEADMP CCCCOCC[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000362348477 387598340 /nfs/dbraw/zinc/59/83/40/387598340.db2.gz JIGVCGGBLAOXQY-AWEZNQCLSA-N 2 1 242.407 2.077 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000643514587 387598549 /nfs/dbraw/zinc/59/85/49/387598549.db2.gz WMUMUCUMRNRPCO-JHJVBQTASA-N 2 1 228.380 2.051 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000643514588 387598711 /nfs/dbraw/zinc/59/87/11/387598711.db2.gz WMUMUCUMRNRPCO-UPJWGTAASA-N 2 1 228.380 2.051 20 0 BEADMP C[C@H](C[NH3+])[NH2+]Cc1cccc(C2CC2)c1 ZINC000422554939 387598713 /nfs/dbraw/zinc/59/87/13/387598713.db2.gz NZJUYIQDTWKYJA-SNVBAGLBSA-N 2 1 204.317 2.001 20 0 BEADMP Cc1nc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])c(C)s1 ZINC000643514785 387599654 /nfs/dbraw/zinc/59/96/54/387599654.db2.gz BUNQFXAQZTWJFR-YUMQZZPRSA-N 2 1 227.377 2.005 20 0 BEADMP CC(C)OCCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422639440 387611247 /nfs/dbraw/zinc/61/12/47/387611247.db2.gz STWJQDBILPSPEE-IHRRRGAJSA-N 2 1 242.407 2.107 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c(C)c1 ZINC000422700404 387615331 /nfs/dbraw/zinc/61/53/31/387615331.db2.gz GWSZRCKLZMBSCZ-XJKSGUPXSA-N 2 1 246.398 2.434 20 0 BEADMP Cc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)ccn1 ZINC000527534643 387626860 /nfs/dbraw/zinc/62/68/60/387626860.db2.gz OBYJSQYWQRPOLL-OAHLLOKOSA-N 2 1 247.386 2.164 20 0 BEADMP Cc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)ccn1 ZINC000527534643 387626863 /nfs/dbraw/zinc/62/68/63/387626863.db2.gz OBYJSQYWQRPOLL-OAHLLOKOSA-N 2 1 247.386 2.164 20 0 BEADMP Cc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)ccn1 ZINC000527534643 387626868 /nfs/dbraw/zinc/62/68/68/387626868.db2.gz OBYJSQYWQRPOLL-OAHLLOKOSA-N 2 1 247.386 2.164 20 0 BEADMP Cc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)ccn1 ZINC000527534643 387626871 /nfs/dbraw/zinc/62/68/71/387626871.db2.gz OBYJSQYWQRPOLL-OAHLLOKOSA-N 2 1 247.386 2.164 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)nc1 ZINC000399681353 387566302 /nfs/dbraw/zinc/56/63/02/387566302.db2.gz QMRKWKXDZGXPJN-ZFWWWQNUSA-N 2 1 247.386 2.005 20 0 BEADMP Cc1ccc(CC[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000430648742 387635224 /nfs/dbraw/zinc/63/52/24/387635224.db2.gz HKQDIROZCNVLGT-HNNXBMFYSA-N 2 1 232.371 2.208 20 0 BEADMP CC(C)C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422730220 387637606 /nfs/dbraw/zinc/63/76/06/387637606.db2.gz JHJSMYNCAOHFPI-JSGCOSHPSA-N 2 1 220.360 2.191 20 0 BEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCCC1 ZINC000422732539 387640942 /nfs/dbraw/zinc/64/09/42/387640942.db2.gz OXOGQAMYXNNCMU-DOMZBBRYSA-N 2 1 232.371 2.477 20 0 BEADMP COc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422737595 387646124 /nfs/dbraw/zinc/64/61/24/387646124.db2.gz ZXKWVJGEFIKYNL-HUUCEWRRSA-N 2 1 248.370 2.445 20 0 BEADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccoc1 ZINC000643518391 387649634 /nfs/dbraw/zinc/64/96/34/387649634.db2.gz BQXDRCOEGBOIPH-YPMHNXCESA-N 2 1 222.332 2.320 20 0 BEADMP Cc1cccnc1[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)C(C)C ZINC000422748783 387652578 /nfs/dbraw/zinc/65/25/78/387652578.db2.gz WEOVGKJLRQRPML-GXTWGEPZSA-N 2 1 247.386 2.285 20 0 BEADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)ccn1 ZINC000527668221 387653440 /nfs/dbraw/zinc/65/34/40/387653440.db2.gz AKQPKEUOGCRVSY-CABCVRRESA-N 2 1 247.386 2.352 20 0 BEADMP C[C@H]([NH3+])C[C@H](C)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000422750979 387656833 /nfs/dbraw/zinc/65/68/33/387656833.db2.gz FCFPTKOTCWOYCF-YDHLFZDLSA-N 2 1 249.402 2.005 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000422754270 387658603 /nfs/dbraw/zinc/65/86/03/387658603.db2.gz JJOVQIRZLPCNPO-ZFWWWQNUSA-N 2 1 247.386 2.076 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCNc1ccccc1 ZINC000422754269 387658652 /nfs/dbraw/zinc/65/86/52/387658652.db2.gz JJOVQIRZLPCNPO-UKRRQHHQSA-N 2 1 247.386 2.076 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)[C@@H]1C[C@H]1C1CC1 ZINC000527714009 387669532 /nfs/dbraw/zinc/66/95/32/387669532.db2.gz YDJWVYMNYCHPOS-RYDUCSDGSA-N 2 1 245.370 2.291 20 0 BEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(F)cc1F ZINC000422776276 387672279 /nfs/dbraw/zinc/67/22/79/387672279.db2.gz CMRZXKPSRKDRHC-RKDXNWHRSA-N 2 1 228.286 2.180 20 0 BEADMP CC[C@H](F)CN(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000440770705 387688893 /nfs/dbraw/zinc/68/88/93/387688893.db2.gz KSZSYUCCHGMPGZ-AVGNSLFASA-N 2 1 230.371 2.397 20 0 BEADMP CC[C@H](F)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000440770705 387688899 /nfs/dbraw/zinc/68/88/99/387688899.db2.gz KSZSYUCCHGMPGZ-AVGNSLFASA-N 2 1 230.371 2.397 20 0 BEADMP CC[C@H](F)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000440770705 387688907 /nfs/dbraw/zinc/68/89/07/387688907.db2.gz KSZSYUCCHGMPGZ-AVGNSLFASA-N 2 1 230.371 2.397 20 0 BEADMP CC[C@H](F)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000440770708 387689296 /nfs/dbraw/zinc/68/92/96/387689296.db2.gz KSZSYUCCHGMPGZ-RWMBFGLXSA-N 2 1 230.371 2.397 20 0 BEADMP CC[C@H](F)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000440770708 387689301 /nfs/dbraw/zinc/68/93/01/387689301.db2.gz KSZSYUCCHGMPGZ-RWMBFGLXSA-N 2 1 230.371 2.397 20 0 BEADMP CC[C@H](F)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000440770708 387689309 /nfs/dbraw/zinc/68/93/09/387689309.db2.gz KSZSYUCCHGMPGZ-RWMBFGLXSA-N 2 1 230.371 2.397 20 0 BEADMP CC[C@H](F)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000440770708 387689317 /nfs/dbraw/zinc/68/93/17/387689317.db2.gz KSZSYUCCHGMPGZ-RWMBFGLXSA-N 2 1 230.371 2.397 20 0 BEADMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643526155 387748802 /nfs/dbraw/zinc/74/88/02/387748802.db2.gz RAABQHOYDVTECX-GHMZBOCLSA-N 2 1 222.332 2.083 20 0 BEADMP CCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])s1 ZINC000422870625 387749527 /nfs/dbraw/zinc/74/95/27/387749527.db2.gz ZCRMOGZJYNSZNN-NWDGAFQWSA-N 2 1 224.373 2.280 20 0 BEADMP CC[C@H]([NH2+]C[C@H](C)[NH3+])c1ccc(C)cc1 ZINC000643526252 387750789 /nfs/dbraw/zinc/75/07/89/387750789.db2.gz WLSUMWMMBZDOSE-AAEUAGOBSA-N 2 1 206.333 2.383 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CC23CC3)CC1 ZINC000527843073 387750864 /nfs/dbraw/zinc/75/08/64/387750864.db2.gz ABZCXWKLJRKCLP-DGCLKSJQSA-N 2 1 222.376 2.249 20 0 BEADMP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](C)[NH3+])c1 ZINC000643525706 387752579 /nfs/dbraw/zinc/75/25/79/387752579.db2.gz BNJTVRMEHZGOAF-VXGBXAGGSA-N 2 1 206.333 2.301 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])c(C)c1 ZINC000643525877 387753950 /nfs/dbraw/zinc/75/39/50/387753950.db2.gz GOPODUKNSPUQRI-VXGBXAGGSA-N 2 1 206.333 2.301 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c(C)n1 ZINC000643525815 387754154 /nfs/dbraw/zinc/75/41/54/387754154.db2.gz QQQHSBNKUWMOEJ-FPMFFAJLSA-N 2 1 247.386 2.490 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@@H]1CC12CC2 ZINC000527851701 387754123 /nfs/dbraw/zinc/75/41/23/387754123.db2.gz QYEGPILHHWKHIE-YPMHNXCESA-N 2 1 233.359 2.360 20 0 BEADMP COCC[C@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000045018802 387699539 /nfs/dbraw/zinc/69/95/39/387699539.db2.gz QWBSQIVIWAPXEK-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CC23CC3)C1 ZINC000527849180 387755137 /nfs/dbraw/zinc/75/51/37/387755137.db2.gz KSDOVBIZQVIOMC-JHJVBQTASA-N 2 1 222.376 2.106 20 0 BEADMP C[C@H](Cc1cccs1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000643520928 387706952 /nfs/dbraw/zinc/70/69/52/387706952.db2.gz DUXMWGLGVSCPNR-LOWVWBTDSA-N 2 1 238.400 2.267 20 0 BEADMP CCc1cc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc[nH+]1 ZINC000450417373 387711092 /nfs/dbraw/zinc/71/10/92/387711092.db2.gz JGOJAWVAXMYLPT-NWDGAFQWSA-N 2 1 233.359 2.173 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCCSC1)[C@H]1CCCC[NH2+]1 ZINC000422816923 387713398 /nfs/dbraw/zinc/71/33/98/387713398.db2.gz GMCNBOHMFLGPMO-IJLUTSLNSA-N 2 1 228.405 2.002 20 0 BEADMP CC[N@H+](CC[NH2+][C@@H](C)[C@H]1CCCOC1)C(C)C ZINC000356831675 387727825 /nfs/dbraw/zinc/72/78/25/387727825.db2.gz DZKCSRWWNOTSDP-KBPBESRZSA-N 2 1 242.407 2.121 20 0 BEADMP CC[N@@H+](CC[NH2+][C@@H](C)[C@H]1CCCOC1)C(C)C ZINC000356831675 387727829 /nfs/dbraw/zinc/72/78/29/387727829.db2.gz DZKCSRWWNOTSDP-KBPBESRZSA-N 2 1 242.407 2.121 20 0 BEADMP Cc1cccc(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000422844060 387733162 /nfs/dbraw/zinc/73/31/62/387733162.db2.gz KSKFYSSIUNHHOT-HIFRSBDPSA-N 2 1 232.371 2.125 20 0 BEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000643524463 387737017 /nfs/dbraw/zinc/73/70/17/387737017.db2.gz LDJBZJZSNXUGQC-BNOWGMLFSA-N 2 1 245.370 2.047 20 0 BEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000643524466 387737164 /nfs/dbraw/zinc/73/71/64/387737164.db2.gz LDJBZJZSNXUGQC-XBFCOCLRSA-N 2 1 245.370 2.047 20 0 BEADMP CCC1(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CCC1 ZINC000422854313 387739026 /nfs/dbraw/zinc/73/90/26/387739026.db2.gz UCKZHHSWJSXYPP-NWDGAFQWSA-N 2 1 210.365 2.154 20 0 BEADMP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000643525845 387756056 /nfs/dbraw/zinc/75/60/56/387756056.db2.gz UVFYJYQSZYVPTP-ATZCPNFKSA-N 2 1 239.388 2.243 20 0 BEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CC12CC2 ZINC000527905328 387762001 /nfs/dbraw/zinc/76/20/01/387762001.db2.gz NJIRALPBUZSAAA-JWURUJNWSA-N 2 1 234.387 2.390 20 0 BEADMP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@H](C)[NH3+] ZINC000643527194 387763178 /nfs/dbraw/zinc/76/31/78/387763178.db2.gz KLNMVCZOZAWROB-GWCFXTLKSA-N 2 1 234.343 2.009 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000643527594 387765398 /nfs/dbraw/zinc/76/53/98/387765398.db2.gz OZLGTBNTKIEOCR-KWBADKCTSA-N 2 1 204.317 2.172 20 0 BEADMP C[C@H](C[C@H]1CCCO1)[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422899029 387766215 /nfs/dbraw/zinc/76/62/15/387766215.db2.gz GRUYVYFGXWAUBB-IJLUTSLNSA-N 2 1 249.358 2.102 20 0 BEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CC12CC2 ZINC000527877279 387767981 /nfs/dbraw/zinc/76/79/81/387767981.db2.gz UAZNILIGSXCKSY-AAEUAGOBSA-N 2 1 220.360 2.027 20 0 BEADMP Cc1cccc(C[C@@H]([NH2+][C@H]2CC[NH2+]C2)C2CC2)c1 ZINC000422910183 387769584 /nfs/dbraw/zinc/76/95/84/387769584.db2.gz HMACWNRIMAOJLL-JKSUJKDBSA-N 2 1 244.382 2.268 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCc2ccccc21 ZINC000422911244 387769723 /nfs/dbraw/zinc/76/97/23/387769723.db2.gz SJDKPRFDJWGWKZ-XNRPHZJLSA-N 2 1 244.382 2.304 20 0 BEADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)[NH3+])CCC2 ZINC000643528441 387770587 /nfs/dbraw/zinc/77/05/87/387770587.db2.gz JDHHEFQNDJWDFX-FZMZJTMJSA-N 2 1 218.344 2.309 20 0 BEADMP C[C@H]([NH2+][C@H]1C[C@H]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422925047 387776952 /nfs/dbraw/zinc/77/69/52/387776952.db2.gz UYEFJSUMHCSKDX-UKMLZYKCSA-N 2 1 244.382 2.348 20 0 BEADMP C[C@@H]([NH2+]CC1(C)CCC1)c1c[nH+]ccc1N ZINC000422923493 387777532 /nfs/dbraw/zinc/77/75/32/387777532.db2.gz WJDQJLWGJQOHHJ-SNVBAGLBSA-N 2 1 219.332 2.335 20 0 BEADMP CC[NH2+][C@H](C)C[NH2+][C@H](C)Cc1cccs1 ZINC000643529672 387777864 /nfs/dbraw/zinc/77/78/64/387777864.db2.gz LNXLVMZEGIZNMD-GHMZBOCLSA-N 2 1 226.389 2.267 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[C@H]1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422925044 387778156 /nfs/dbraw/zinc/77/81/56/387778156.db2.gz UYEFJSUMHCSKDX-LCGIIJARSA-N 2 1 244.382 2.348 20 0 BEADMP C[C@H]([NH2+][C@H]1C[C@@H]1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422925043 387778464 /nfs/dbraw/zinc/77/84/64/387778464.db2.gz UYEFJSUMHCSKDX-HNKHHVNMSA-N 2 1 244.382 2.348 20 0 BEADMP CC(C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527945330 387780811 /nfs/dbraw/zinc/78/08/11/387780811.db2.gz FWOZUCOWJFHOIQ-ZDUSSCGKSA-N 2 1 210.365 2.391 20 0 BEADMP CC(C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527945330 387780814 /nfs/dbraw/zinc/78/08/14/387780814.db2.gz FWOZUCOWJFHOIQ-ZDUSSCGKSA-N 2 1 210.365 2.391 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC2CC=CC2)[C@@H](C)C1 ZINC000527947908 387783826 /nfs/dbraw/zinc/78/38/26/387783826.db2.gz YPBHELZWLULDJB-JSGCOSHPSA-N 2 1 222.376 2.273 20 0 BEADMP C[C@H]([NH2+]Cc1ccc(Cl)s1)C1C[NH2+]C1 ZINC000422945580 387784792 /nfs/dbraw/zinc/78/47/92/387784792.db2.gz UYSQETPZSJUUBN-ZETCQYMHSA-N 2 1 230.764 2.099 20 0 BEADMP CC(C)[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432419048 387789450 /nfs/dbraw/zinc/78/94/50/387789450.db2.gz YNWDYLQKTANEIR-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432419048 387789455 /nfs/dbraw/zinc/78/94/55/387789455.db2.gz YNWDYLQKTANEIR-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C/C=C\c1ccccc1 ZINC000422981031 387790956 /nfs/dbraw/zinc/79/09/56/387790956.db2.gz RXHRYCQCUGFETI-GMOCCLDISA-N 2 1 216.328 2.169 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC000422981033 387790970 /nfs/dbraw/zinc/79/09/70/387790970.db2.gz RXHRYCQCUGFETI-WNFXYAGKSA-N 2 1 216.328 2.169 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000422980291 387792006 /nfs/dbraw/zinc/79/20/06/387792006.db2.gz LJBARCUUJVEAGC-UKRRQHHQSA-N 2 1 232.371 2.125 20 0 BEADMP c1ccc([C@@H]2CC[C@H]([NH2+][C@H]3CC[NH2+]C3)C2)cc1 ZINC000422987298 387797153 /nfs/dbraw/zinc/79/71/53/387797153.db2.gz IEUFMSZRTZBVRI-ILXRZTDVSA-N 2 1 230.355 2.274 20 0 BEADMP c1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[NH2+]C3)C2)cc1 ZINC000422987300 387797277 /nfs/dbraw/zinc/79/72/77/387797277.db2.gz IEUFMSZRTZBVRI-QLFBSQMISA-N 2 1 230.355 2.274 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(SC)CC2)[C@H](C)C1 ZINC000193824434 387809972 /nfs/dbraw/zinc/80/99/72/387809972.db2.gz AUXBKSGEKVYTBZ-VXGBXAGGSA-N 2 1 242.432 2.202 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CC23CC3)C1 ZINC000527855958 387758009 /nfs/dbraw/zinc/75/80/09/387758009.db2.gz XKJUXRAHAQPYRP-MCIONIFRSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000643527055 387760276 /nfs/dbraw/zinc/76/02/76/387760276.db2.gz COEPVTWVMNSRME-PELKAZGASA-N 2 1 224.735 2.264 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000322057550 387873172 /nfs/dbraw/zinc/87/31/72/387873172.db2.gz QMAQMUYWPCSQNY-XQHKEYJVSA-N 2 1 212.381 2.351 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000322057550 387873176 /nfs/dbraw/zinc/87/31/76/387873176.db2.gz QMAQMUYWPCSQNY-XQHKEYJVSA-N 2 1 212.381 2.351 20 0 BEADMP Cc1ccc(CC[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000442763709 387833811 /nfs/dbraw/zinc/83/38/11/387833811.db2.gz JBIZKZFUJNSJKW-HIFRSBDPSA-N 2 1 232.371 2.207 20 0 BEADMP Cc1ccsc1CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423012678 387837222 /nfs/dbraw/zinc/83/72/22/387837222.db2.gz DMLHVQBHBGFRHW-ZYHUDNBSSA-N 2 1 238.400 2.187 20 0 BEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1[C@@H]1CCc2ccc(F)cc21 ZINC000442779846 387839935 /nfs/dbraw/zinc/83/99/35/387839935.db2.gz JQVCJFMBVCIOKL-JRPNMDOOSA-N 2 1 248.345 2.482 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccccc1 ZINC000058058260 387840348 /nfs/dbraw/zinc/84/03/48/387840348.db2.gz HGULBZJMCQKVRU-AWEZNQCLSA-N 2 1 220.360 2.492 20 0 BEADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000442797034 387841904 /nfs/dbraw/zinc/84/19/04/387841904.db2.gz FILYVAHYYKAPHM-MQYQWHSLSA-N 2 1 240.391 2.016 20 0 BEADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000442797034 387841909 /nfs/dbraw/zinc/84/19/09/387841909.db2.gz FILYVAHYYKAPHM-MQYQWHSLSA-N 2 1 240.391 2.016 20 0 BEADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000442797510 387841984 /nfs/dbraw/zinc/84/19/84/387841984.db2.gz FILYVAHYYKAPHM-XUXIUFHCSA-N 2 1 240.391 2.016 20 0 BEADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000442797510 387841987 /nfs/dbraw/zinc/84/19/87/387841987.db2.gz FILYVAHYYKAPHM-XUXIUFHCSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@H]([NH2+]CC[C@H]1CCCCO1)c1c[nH+]ccc1N ZINC000423040324 387853008 /nfs/dbraw/zinc/85/30/08/387853008.db2.gz GUYXRGDYUAXBAU-NWDGAFQWSA-N 2 1 249.358 2.104 20 0 BEADMP CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423042233 387855264 /nfs/dbraw/zinc/85/52/64/387855264.db2.gz YTGLDEJHWUOTKF-AEJSXWLSSA-N 2 1 238.297 2.448 20 0 BEADMP CC[C@@H]([NH2+]C[C@H](C)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423051440 387860884 /nfs/dbraw/zinc/86/08/84/387860884.db2.gz NHEULHTXNSHEBC-AEJSXWLSSA-N 2 1 238.297 2.305 20 0 BEADMP Cc1c[nH+]ccc1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528207094 387870998 /nfs/dbraw/zinc/87/09/98/387870998.db2.gz AAQSZEIOENEDBM-AWEZNQCLSA-N 2 1 245.370 2.241 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC12CCCC2)[C@H]1CCCC[NH2+]1 ZINC000423071930 387871261 /nfs/dbraw/zinc/87/12/61/387871261.db2.gz GLJLYQPPKLWPCG-UPJWGTAASA-N 2 1 222.376 2.439 20 0 BEADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccco1 ZINC000422964222 387814399 /nfs/dbraw/zinc/81/43/99/387814399.db2.gz KUHMDJOFSDODGN-SRVKXCTJSA-N 2 1 222.332 2.318 20 0 BEADMP C[C@H]([NH3+])C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000442662649 387816801 /nfs/dbraw/zinc/81/68/01/387816801.db2.gz FQZOXKWZPJUGBW-GVXVVHGQSA-N 2 1 236.334 2.351 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000442662649 387816804 /nfs/dbraw/zinc/81/68/04/387816804.db2.gz FQZOXKWZPJUGBW-GVXVVHGQSA-N 2 1 236.334 2.351 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000423101959 387889497 /nfs/dbraw/zinc/88/94/97/387889497.db2.gz WROPMGPYDGAQOJ-GMTAPVOTSA-N 2 1 232.318 2.009 20 0 BEADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423106366 387892029 /nfs/dbraw/zinc/89/20/29/387892029.db2.gz RKURBELBHZPQBD-XQHKEYJVSA-N 2 1 210.365 2.010 20 0 BEADMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1ccncc1 ZINC000643460406 387875346 /nfs/dbraw/zinc/87/53/46/387875346.db2.gz ZYXDZLHLFCCFAZ-KCQAQPDRSA-N 2 1 247.386 2.305 20 0 BEADMP C[C@H](C[C@H](C)[NH3+])[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000423163724 387898674 /nfs/dbraw/zinc/89/86/74/387898674.db2.gz RNTWLLBWAVDEEM-XQQFMLRXSA-N 2 1 242.432 2.331 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000423117614 387899151 /nfs/dbraw/zinc/89/91/51/387899151.db2.gz WGAIUBRWQNAMFQ-GRYCIOLGSA-N 2 1 246.345 2.400 20 0 BEADMP C[C@H]([NH2+]CC1CC(F)(F)C1)c1c[nH+]ccc1N ZINC000423123502 387903618 /nfs/dbraw/zinc/90/36/18/387903618.db2.gz DZXBWVDHLWSUQM-QMMMGPOBSA-N 2 1 241.285 2.190 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)C1C[NH2+]C1 ZINC000423156292 387934327 /nfs/dbraw/zinc/93/43/27/387934327.db2.gz LADCOTGEJBQFBW-UHIISALHSA-N 2 1 246.354 2.096 20 0 BEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H](C)C1CC1 ZINC000423157977 387936389 /nfs/dbraw/zinc/93/63/89/387936389.db2.gz NICNIYODDGTYPX-LALPHHSUSA-N 2 1 232.371 2.333 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC=CCC2)CC[N@H+]1C ZINC000156121370 387920714 /nfs/dbraw/zinc/92/07/14/387920714.db2.gz MZSIJNWCHHIZIM-RDBSUJKOSA-N 2 1 222.376 2.415 20 0 BEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000423145444 387922354 /nfs/dbraw/zinc/92/23/54/387922354.db2.gz KROIIFBEYNSCBR-IRCOFANPSA-N 2 1 214.328 2.127 20 0 BEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000423145449 387922922 /nfs/dbraw/zinc/92/29/22/387922922.db2.gz KROIIFBEYNSCBR-WISYIIOYSA-N 2 1 214.328 2.127 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCC(C)(F)F ZINC000423150803 387927349 /nfs/dbraw/zinc/92/73/49/387927349.db2.gz ZFWJNPWJKNPYEQ-NXEZZACHSA-N 2 1 220.307 2.009 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)C1CCC1 ZINC000423150239 387928108 /nfs/dbraw/zinc/92/81/08/387928108.db2.gz ILYQAMUGHOCHQA-AAEUAGOBSA-N 2 1 224.392 2.400 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000423150057 387928179 /nfs/dbraw/zinc/92/81/79/387928179.db2.gz YOKGPIHKTNRGQV-GRYCIOLGSA-N 2 1 246.345 2.400 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1(C)CC1 ZINC000044533952 387938121 /nfs/dbraw/zinc/93/81/21/387938121.db2.gz HQTBDDFTVQZHTD-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044535012 387938974 /nfs/dbraw/zinc/93/89/74/387938974.db2.gz PFZADHSVZZJEMN-QWHCGFSZSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000423160439 387940907 /nfs/dbraw/zinc/94/09/07/387940907.db2.gz HGSQFOOVFWYPPF-MWLCHTKSSA-N 2 1 232.318 2.009 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000423160438 387941462 /nfs/dbraw/zinc/94/14/62/387941462.db2.gz HGSQFOOVFWYPPF-KOLCDFICSA-N 2 1 232.318 2.009 20 0 BEADMP C[C@H](CCCC[NH3+])[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000423164814 387947244 /nfs/dbraw/zinc/94/72/44/387947244.db2.gz SWPKWSCJPLBVBM-ZIAGYGMSSA-N 2 1 240.391 2.006 20 0 BEADMP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423171050 387957923 /nfs/dbraw/zinc/95/79/23/387957923.db2.gz NGPDSKQSVFBGMB-ZIAGYGMSSA-N 2 1 247.386 2.349 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1c[nH+]ccc1N ZINC000423176919 387961998 /nfs/dbraw/zinc/96/19/98/387961998.db2.gz GOVNBPPBISSRSJ-BBBLOLIVSA-N 2 1 237.372 2.039 20 0 BEADMP CC(C)[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156369681 387962932 /nfs/dbraw/zinc/96/29/32/387962932.db2.gz YKSVDSMVMMQRMJ-AGIUHOORSA-N 2 1 212.381 2.351 20 0 BEADMP C[C@H]([NH2+]CC[NH3+])[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423181904 387967042 /nfs/dbraw/zinc/96/70/42/387967042.db2.gz JUTMRDUZQPSRFZ-XHNCKOQMSA-N 2 1 244.791 2.442 20 0 BEADMP CC(C)CC[C@@H]([NH2+]CC[NH3+])C(C)(C)C ZINC000423182364 387967741 /nfs/dbraw/zinc/96/77/41/387967741.db2.gz KFABVUPUIAZLFU-LLVKDONJSA-N 2 1 200.370 2.386 20 0 BEADMP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000423183978 387970600 /nfs/dbraw/zinc/97/06/00/387970600.db2.gz HDHQTPNEXRUACX-JTQLQIEISA-N 2 1 240.322 2.094 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424323269 387971503 /nfs/dbraw/zinc/97/15/03/387971503.db2.gz IWWDOTPNRVVLFK-YXCITZCRSA-N 2 1 222.376 2.105 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424323269 387971508 /nfs/dbraw/zinc/97/15/08/387971508.db2.gz IWWDOTPNRVVLFK-YXCITZCRSA-N 2 1 222.376 2.105 20 0 BEADMP FCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423186526 387972379 /nfs/dbraw/zinc/97/23/79/387972379.db2.gz KFPNQBQZAQQYRB-YNEHKIRRSA-N 2 1 228.355 2.246 20 0 BEADMP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423171049 387956692 /nfs/dbraw/zinc/95/66/92/387956692.db2.gz NGPDSKQSVFBGMB-UONOGXRCSA-N 2 1 247.386 2.349 20 0 BEADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccncc1 ZINC000453067924 387978530 /nfs/dbraw/zinc/97/85/30/387978530.db2.gz SFIQSVDKJLMBDD-HIFRSBDPSA-N 2 1 247.386 2.464 20 0 BEADMP C[C@H]([NH2+]CC[NH3+])[C@H](C)c1nc2ccccc2s1 ZINC000423189212 387973350 /nfs/dbraw/zinc/97/33/50/387973350.db2.gz QNPSGUNDSKHKFM-UWVGGRQHSA-N 2 1 249.383 2.337 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423188569 387973655 /nfs/dbraw/zinc/97/36/55/387973655.db2.gz OBZOIOIMRFBKOY-CABCVRRESA-N 2 1 247.386 2.340 20 0 BEADMP CC(C)Cc1cccc([C@H](C)[NH2+]CC[NH3+])c1 ZINC000423188271 387974369 /nfs/dbraw/zinc/97/43/69/387974369.db2.gz PYAFEISIUMHWFK-LBPRGKRZSA-N 2 1 220.360 2.494 20 0 BEADMP C[NH+](C)[C@@H](C[NH2+][C@@H](C1CC1)C1CCC1)C1CC1 ZINC000453059356 387974716 /nfs/dbraw/zinc/97/47/16/387974716.db2.gz KYHNIVGCRXBIMN-LSDHHAIUSA-N 2 1 236.403 2.495 20 0 BEADMP C[NH2+]CCC[NH2+][C@H](C)c1ccccc1F ZINC000423191859 387975591 /nfs/dbraw/zinc/97/55/91/387975591.db2.gz UJRWMTKRDGOZJC-SNVBAGLBSA-N 2 1 210.296 2.086 20 0 BEADMP C[NH2+]CCC[NH2+][C@H](C)c1sccc1OC ZINC000423202532 387989500 /nfs/dbraw/zinc/98/95/00/387989500.db2.gz QXAIFRPPZGTFKL-SECBINFHSA-N 2 1 228.361 2.017 20 0 BEADMP Cc1ccnc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000423206818 387992150 /nfs/dbraw/zinc/99/21/50/387992150.db2.gz CDADKPFXQNFRII-IHRRRGAJSA-N 2 1 247.386 2.429 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC(C)(C)C2)CC[N@@H+]1C ZINC000245926172 387993339 /nfs/dbraw/zinc/99/33/39/387993339.db2.gz IJHWSPOPFGSWOU-AGIUHOORSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC(C)(C)C2)CC[N@H+]1C ZINC000245926172 387993343 /nfs/dbraw/zinc/99/33/43/387993343.db2.gz IJHWSPOPFGSWOU-AGIUHOORSA-N 2 1 240.391 2.016 20 0 BEADMP Cc1ccncc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424370517 387995139 /nfs/dbraw/zinc/99/51/39/387995139.db2.gz DNDHDZYGOGRUAK-MRVWCRGKSA-N 2 1 233.359 2.311 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)[C@@H]2CCC[C@H]21 ZINC000424342178 387982320 /nfs/dbraw/zinc/98/23/20/387982320.db2.gz FJMJYNNHUHLMOT-JLZCTACVSA-N 2 1 234.387 2.247 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)[C@H]2CCC[C@@H]21 ZINC000424342179 387982589 /nfs/dbraw/zinc/98/25/89/387982589.db2.gz FJMJYNNHUHLMOT-QLKXBERHSA-N 2 1 234.387 2.247 20 0 BEADMP Cc1ccnc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000423214584 387997059 /nfs/dbraw/zinc/99/70/59/387997059.db2.gz PFXVEBGAQRJSFE-OLZOCXBDSA-N 2 1 233.359 2.040 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1cccc(F)c1F ZINC000420409312 387999586 /nfs/dbraw/zinc/99/95/86/387999586.db2.gz QLDGAYBAALHYLT-ZJUUUORDSA-N 2 1 240.297 2.225 20 0 BEADMP CC[N@H+]1C[C@@H](C)[C@@H](Nc2ccc3c(c2)CCN3)C1 ZINC000423222100 388001241 /nfs/dbraw/zinc/00/12/41/388001241.db2.gz ZRVRZFMNICRMQJ-ABAIWWIYSA-N 2 1 245.370 2.407 20 0 BEADMP CCc1ccc([C@@H](C)[NH2+]CC[C@H](C)[NH3+])o1 ZINC000423222741 388003314 /nfs/dbraw/zinc/00/33/14/388003314.db2.gz CHYLFEATURDOPW-VHSXEESVSA-N 2 1 210.321 2.230 20 0 BEADMP C[NH2+]CC[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000423222482 388003862 /nfs/dbraw/zinc/00/38/62/388003862.db2.gz BGODMHYNRYOMIM-NEPJUHHUSA-N 2 1 212.381 2.400 20 0 BEADMP CC[C@@H]([NH2+]CC[N@H+](CC)C(C)C)C1CC1 ZINC000156644654 388014785 /nfs/dbraw/zinc/01/47/85/388014785.db2.gz SXLSFVFMQWSLEO-CYBMUJFWSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H]([NH2+]CC[N@@H+](CC)C(C)C)C1CC1 ZINC000156644654 388014788 /nfs/dbraw/zinc/01/47/88/388014788.db2.gz SXLSFVFMQWSLEO-CYBMUJFWSA-N 2 1 212.381 2.495 20 0 BEADMP CC1(C)CCC[C@H]([NH2+][C@@H](C[NH3+])C2CC2)C1 ZINC000423269868 388017509 /nfs/dbraw/zinc/01/75/09/388017509.db2.gz FZYNJONQJSSDCI-RYUDHWBXSA-N 2 1 210.365 2.282 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000423235444 388018265 /nfs/dbraw/zinc/01/82/65/388018265.db2.gz AZHRNDYUHOCEAL-UONOGXRCSA-N 2 1 218.344 2.132 20 0 BEADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000423234927 388018510 /nfs/dbraw/zinc/01/85/10/388018510.db2.gz MQSKXADAYFHGOX-ZFWWWQNUSA-N 2 1 247.386 2.307 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C ZINC000423236574 388020742 /nfs/dbraw/zinc/02/07/42/388020742.db2.gz OGVRIXJFZAWJEZ-XQQFMLRXSA-N 2 1 212.381 2.400 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000423251583 388033722 /nfs/dbraw/zinc/03/37/22/388033722.db2.gz WEBKWWAMEZFDDQ-GFCCVEGCSA-N 2 1 210.365 2.298 20 0 BEADMP CCCCO[C@@H]1C[C@H]([NH2+]CC[NH2+]CC)C1(C)C ZINC000423252193 388034118 /nfs/dbraw/zinc/03/41/18/388034118.db2.gz XIFTXXAGSYWJCS-QWHCGFSZSA-N 2 1 242.407 2.169 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000423265609 388044418 /nfs/dbraw/zinc/04/44/18/388044418.db2.gz CJWNUNQMSOXOCA-ONGXEEELSA-N 2 1 224.348 2.403 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000423253926 388034920 /nfs/dbraw/zinc/03/49/20/388034920.db2.gz ZYRVRXJYVGDZNN-CHWSQXEVSA-N 2 1 242.407 2.025 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)C1CC1 ZINC000453292791 388036962 /nfs/dbraw/zinc/03/69/62/388036962.db2.gz PEBXKBQERWLNBE-ZRJCITRHSA-N 2 1 222.376 2.247 20 0 BEADMP COC[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)C(C)C ZINC000423258137 388038450 /nfs/dbraw/zinc/03/84/50/388038450.db2.gz BDAKDAMZIUQBQR-KBPBESRZSA-N 2 1 242.407 2.155 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000423259413 388039039 /nfs/dbraw/zinc/03/90/39/388039039.db2.gz DRJRHEQBYKWPPX-GXFFZTMASA-N 2 1 224.323 2.460 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCc2ccccc21 ZINC000423262706 388040797 /nfs/dbraw/zinc/04/07/97/388040797.db2.gz NFHMJSKZABALDG-UONOGXRCSA-N 2 1 218.344 2.247 20 0 BEADMP Cc1ccncc1[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423262450 388041112 /nfs/dbraw/zinc/04/11/12/388041112.db2.gz MQROJCIQWQSGTP-CHWSQXEVSA-N 2 1 235.375 2.414 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])s1 ZINC000261527546 135151702 /nfs/dbraw/zinc/15/17/02/135151702.db2.gz COIJIQJIMNYMAB-SECBINFHSA-N 2 1 212.362 2.444 20 0 BEADMP CCC[C@H](C)[C@H](CC)[NH2+]CC[NH2+]CC ZINC000423244599 388028419 /nfs/dbraw/zinc/02/84/19/388028419.db2.gz LHXPWKBESVKCKQ-RYUDHWBXSA-N 2 1 200.370 2.400 20 0 BEADMP C[NH2+]CC[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000423244687 388028786 /nfs/dbraw/zinc/02/87/86/388028786.db2.gz LTSUYZNZTAZOLW-JTQLQIEISA-N 2 1 242.313 2.095 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000423247394 388030600 /nfs/dbraw/zinc/03/06/00/388030600.db2.gz PBAWILXRHVXRLY-UONOGXRCSA-N 2 1 247.386 2.225 20 0 BEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)C1(C)C ZINC000423272536 388051544 /nfs/dbraw/zinc/05/15/44/388051544.db2.gz ZCBFMOGAXVNSIO-FRRDWIJNSA-N 2 1 242.407 2.153 20 0 BEADMP CC[C@H]([NH2+]C[C@H](C)C[NH2+]C)c1ccc(F)cn1 ZINC000423272856 388051589 /nfs/dbraw/zinc/05/15/89/388051589.db2.gz KCZYISFFIDPNHW-PWSUYJOCSA-N 2 1 239.338 2.117 20 0 BEADMP Cc1ccsc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423273455 388053457 /nfs/dbraw/zinc/05/34/57/388053457.db2.gz IXGZCBRQGFYHON-ONGXEEELSA-N 2 1 224.373 2.444 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000423275737 388056756 /nfs/dbraw/zinc/05/67/56/388056756.db2.gz NOKPNUOFWGUCLZ-HUUCEWRRSA-N 2 1 248.370 2.343 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000423276339 388057208 /nfs/dbraw/zinc/05/72/08/388057208.db2.gz OJZQHSHNNMXXNA-UONOGXRCSA-N 2 1 248.370 2.473 20 0 BEADMP COc1cccc2c1CC[C@H]2[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423277448 388058089 /nfs/dbraw/zinc/05/80/89/388058089.db2.gz PPSBXRKOBQRMKY-ZIAGYGMSSA-N 2 1 248.370 2.255 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccccc1F ZINC000423277851 388058137 /nfs/dbraw/zinc/05/81/37/388058137.db2.gz QFCRGSTZPDRLHE-QWRGUYRKSA-N 2 1 224.323 2.332 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000423277563 388058576 /nfs/dbraw/zinc/05/85/76/388058576.db2.gz PYSFDWXUFUTMSI-UWVGGRQHSA-N 2 1 242.313 2.471 20 0 BEADMP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423279001 388059715 /nfs/dbraw/zinc/05/97/15/388059715.db2.gz QSLPCVOWJLYYJT-RISCZKNCSA-N 2 1 218.344 2.383 20 0 BEADMP Cc1ccccc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423279000 388060092 /nfs/dbraw/zinc/06/00/92/388060092.db2.gz QSLPCVOWJLYYJT-FZMZJTMJSA-N 2 1 218.344 2.383 20 0 BEADMP C[C@@H](CCCc1cccnc1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423279029 388060520 /nfs/dbraw/zinc/06/05/20/388060520.db2.gz QVMNHQPCNJWLCZ-SWLSCSKDSA-N 2 1 247.386 2.120 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000423280431 388061791 /nfs/dbraw/zinc/06/17/91/388061791.db2.gz UDJROWLSSCAKBN-KGLIPLIRSA-N 2 1 248.370 2.343 20 0 BEADMP CO[C@@H](C)[C@H](C)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423279901 388062363 /nfs/dbraw/zinc/06/23/63/388062363.db2.gz RZSUGOGHLKZMHY-STQMWFEESA-N 2 1 242.407 2.312 20 0 BEADMP COc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c(C)c1 ZINC000423279629 388062522 /nfs/dbraw/zinc/06/25/22/388062522.db2.gz RTGSSDJYXSSTRW-NHYWBVRUSA-N 2 1 248.370 2.392 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000423280430 388062655 /nfs/dbraw/zinc/06/26/55/388062655.db2.gz UDJROWLSSCAKBN-KBPBESRZSA-N 2 1 248.370 2.343 20 0 BEADMP COc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])c(C)c1 ZINC000423325490 388063553 /nfs/dbraw/zinc/06/35/53/388063553.db2.gz LLQBDDYLFFLDLH-MNOVXSKESA-N 2 1 222.332 2.001 20 0 BEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)C1CCCCC1 ZINC000423283399 388065744 /nfs/dbraw/zinc/06/57/44/388065744.db2.gz VZNVDMMYZZMGCS-GXFFZTMASA-N 2 1 210.365 2.282 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000423282347 388065977 /nfs/dbraw/zinc/06/59/77/388065977.db2.gz WLEFDCIFSUCXTG-UWVGGRQHSA-N 2 1 241.766 2.241 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@H](C[NH3+])C2CC2)[C@H]1C ZINC000423284609 388066437 /nfs/dbraw/zinc/06/64/37/388066437.db2.gz XBMNOWDEKJABFA-RSLMWUCJSA-N 2 1 210.365 2.138 20 0 BEADMP COc1cccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000423284625 388067492 /nfs/dbraw/zinc/06/74/92/388067492.db2.gz XDFQFQDUVJRKOO-YGRLFVJLSA-N 2 1 234.343 2.083 20 0 BEADMP CCC[C@H]([NH2+]C[C@H](C)C[NH2+]C)c1ccccn1 ZINC000423285579 388069278 /nfs/dbraw/zinc/06/92/78/388069278.db2.gz ZPMJXKZLUBWSAI-OLZOCXBDSA-N 2 1 235.375 2.368 20 0 BEADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc2c(c1)COC2 ZINC000423287197 388070720 /nfs/dbraw/zinc/07/07/20/388070720.db2.gz KULXKVSBXRVGDN-SNVBAGLBSA-N 2 1 234.343 2.105 20 0 BEADMP Cc1nc(C)c([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)s1 ZINC000423286223 388070987 /nfs/dbraw/zinc/07/09/87/388070987.db2.gz ZZWNRBGLIHSTAD-KWQFWETISA-N 2 1 239.388 2.148 20 0 BEADMP C[N@@H+](CCCC[NH2+][C@H]1CCCOCC1)C1CC1 ZINC000453397543 388071245 /nfs/dbraw/zinc/07/12/45/388071245.db2.gz JPGJBTAUORQEGF-ZDUSSCGKSA-N 2 1 240.391 2.020 20 0 BEADMP Cc1cc[nH+]c(N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000084213368 388073410 /nfs/dbraw/zinc/07/34/10/388073410.db2.gz GXRMPCVWQYTFKT-VXGBXAGGSA-N 2 1 219.332 2.319 20 0 BEADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423289579 388074290 /nfs/dbraw/zinc/07/42/90/388074290.db2.gz XTMQYWYBEOAMOQ-SNVBAGLBSA-N 2 1 249.358 2.033 20 0 BEADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccncc1 ZINC000423297047 388079014 /nfs/dbraw/zinc/07/90/14/388079014.db2.gz INGAPISPLBXHLZ-YPMHNXCESA-N 2 1 221.348 2.250 20 0 BEADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](COC)C1CCCC1 ZINC000423297778 388079352 /nfs/dbraw/zinc/07/93/52/388079352.db2.gz LVHBHVKUZQOTHD-UONOGXRCSA-N 2 1 242.407 2.299 20 0 BEADMP CCCC[C@@H](C[NH3+])[NH2+]C1CCC(COC)CC1 ZINC000423298145 388080244 /nfs/dbraw/zinc/08/02/44/388080244.db2.gz NILGKVXGECMMRC-RUXDESIVSA-N 2 1 242.407 2.299 20 0 BEADMP Cc1ccc(F)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000084946415 388081522 /nfs/dbraw/zinc/08/15/22/388081522.db2.gz AZJHMHJMJIQWRQ-BXUZGUMPSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1ccc(F)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000084946415 388081525 /nfs/dbraw/zinc/08/15/25/388081525.db2.gz AZJHMHJMJIQWRQ-BXUZGUMPSA-N 2 1 236.334 2.303 20 0 BEADMP CCSCC[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453595006 388089078 /nfs/dbraw/zinc/08/90/78/388089078.db2.gz JLCJVYJRCGVAMY-UHFFFAOYSA-N 2 1 230.421 2.204 20 0 BEADMP CSC1(C[NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000453599302 388089404 /nfs/dbraw/zinc/08/94/04/388089404.db2.gz QOFALGUZYFGDHS-UHFFFAOYSA-N 2 1 242.432 2.346 20 0 BEADMP C[N@@H+](CCc1cccs1)C[C@@]1(C)CC[NH2+]C1 ZINC000086442316 388101966 /nfs/dbraw/zinc/10/19/66/388101966.db2.gz ZDABLLYAPRUQKZ-ZDUSSCGKSA-N 2 1 238.400 2.222 20 0 BEADMP COc1cccc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000423269586 388047810 /nfs/dbraw/zinc/04/78/10/388047810.db2.gz VWWJWDQUGODBCT-SMDDNHRTSA-N 2 1 236.359 2.329 20 0 BEADMP Cc1cncc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c1 ZINC000423268117 388047945 /nfs/dbraw/zinc/04/79/45/388047945.db2.gz FZKZQIHOSHXYAN-YPMHNXCESA-N 2 1 221.348 2.024 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423271365 388048877 /nfs/dbraw/zinc/04/88/77/388048877.db2.gz HGIQNDHIJRQOOD-BXUZGUMPSA-N 2 1 218.344 2.383 20 0 BEADMP C[C@@H](Cc1ccoc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000449253925 388163765 /nfs/dbraw/zinc/16/37/65/388163765.db2.gz VAUIZTXYTTZLMJ-LBPRGKRZSA-N 2 1 234.343 2.062 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000449333017 388170562 /nfs/dbraw/zinc/17/05/62/388170562.db2.gz FSUPILAANZHNRM-WOPDTQHZSA-N 2 1 230.421 2.056 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000449333017 388170563 /nfs/dbraw/zinc/17/05/63/388170563.db2.gz FSUPILAANZHNRM-WOPDTQHZSA-N 2 1 230.421 2.056 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000449330519 388174468 /nfs/dbraw/zinc/17/44/68/388174468.db2.gz UKSQVYFHWWCYKW-XQQFMLRXSA-N 2 1 244.448 2.448 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000449330519 388174469 /nfs/dbraw/zinc/17/44/69/388174469.db2.gz UKSQVYFHWWCYKW-XQQFMLRXSA-N 2 1 244.448 2.448 20 0 BEADMP CC/C=C/C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000449463966 388212169 /nfs/dbraw/zinc/21/21/69/388212169.db2.gz XNKCRJXRYDUPFK-AATRIKPKSA-N 2 1 219.332 2.203 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000449485823 388216099 /nfs/dbraw/zinc/21/60/99/388216099.db2.gz ROIROUFOMRXRIZ-MQYQWHSLSA-N 2 1 224.392 2.352 20 0 BEADMP CS[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000451328761 388261587 /nfs/dbraw/zinc/26/15/87/388261587.db2.gz VSIFKVBLQJSJIP-ZDUSSCGKSA-N 2 1 242.432 2.300 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CC(C(C)C)C2)C1 ZINC000233499746 388347305 /nfs/dbraw/zinc/34/73/05/388347305.db2.gz SRMMEEFEZKWIJU-HSBZDZAISA-N 2 1 224.392 2.352 20 0 BEADMP CCc1ccc([C@H](C)[NH2+][C@H](C)CN)cc1 ZINC000234116063 388353118 /nfs/dbraw/zinc/35/31/18/388353118.db2.gz HAKBCHGYNQZWCQ-MNOVXSKESA-N 2 1 206.333 2.247 20 0 BEADMP CCc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000234116063 388353120 /nfs/dbraw/zinc/35/31/20/388353120.db2.gz HAKBCHGYNQZWCQ-MNOVXSKESA-N 2 1 206.333 2.247 20 0 BEADMP CSc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000235120952 388365645 /nfs/dbraw/zinc/36/56/45/388365645.db2.gz WJIDEEUXEXZHCD-ZJUUUORDSA-N 2 1 224.373 2.406 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2ccccc21 ZINC000235148363 388366184 /nfs/dbraw/zinc/36/61/84/388366184.db2.gz PODUNBIYBAMVSX-GXFFZTMASA-N 2 1 204.317 2.001 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2sccc21 ZINC000235148440 388366262 /nfs/dbraw/zinc/36/62/62/388366262.db2.gz IQXVDKIYPZXEMJ-WCBMZHEXSA-N 2 1 210.346 2.062 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000290229769 388366853 /nfs/dbraw/zinc/36/68/53/388366853.db2.gz ROEXYKLNLHTXAS-CYBMUJFWSA-N 2 1 246.398 2.472 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000290229769 388366855 /nfs/dbraw/zinc/36/68/55/388366855.db2.gz ROEXYKLNLHTXAS-CYBMUJFWSA-N 2 1 246.398 2.472 20 0 BEADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000572801127 388377947 /nfs/dbraw/zinc/37/79/47/388377947.db2.gz SFXKXSURYOBVGI-QWHCGFSZSA-N 2 1 210.365 2.201 20 0 BEADMP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000572801127 388377949 /nfs/dbraw/zinc/37/79/49/388377949.db2.gz SFXKXSURYOBVGI-QWHCGFSZSA-N 2 1 210.365 2.201 20 0 BEADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000572801127 388377950 /nfs/dbraw/zinc/37/79/50/388377950.db2.gz SFXKXSURYOBVGI-QWHCGFSZSA-N 2 1 210.365 2.201 20 0 BEADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000572801127 388377952 /nfs/dbraw/zinc/37/79/52/388377952.db2.gz SFXKXSURYOBVGI-QWHCGFSZSA-N 2 1 210.365 2.201 20 0 BEADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)CCOC ZINC000164882854 388387150 /nfs/dbraw/zinc/38/71/50/388387150.db2.gz BKOSNMUFXFKXFV-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)CCOC ZINC000164882854 388387153 /nfs/dbraw/zinc/38/71/53/388387153.db2.gz BKOSNMUFXFKXFV-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1c(F)cccc1F ZINC000572951412 388396293 /nfs/dbraw/zinc/39/62/93/388396293.db2.gz OVWOQEQEKSFGKU-BDAKNGLRSA-N 2 1 228.286 2.180 20 0 BEADMP CCC(C)(C)OCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000308550697 388442924 /nfs/dbraw/zinc/44/29/24/388442924.db2.gz WONAKGMROFODTE-QWHCGFSZSA-N 2 1 242.407 2.264 20 0 BEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CC1CC(F)(F)C1 ZINC000308638012 388445658 /nfs/dbraw/zinc/44/56/58/388445658.db2.gz VNVRTUCZAUBIJD-UHFFFAOYSA-N 2 1 246.345 2.496 20 0 BEADMP FC(F)(F)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336679803 388462791 /nfs/dbraw/zinc/46/27/91/388462791.db2.gz XDEPXBPDVFOZSG-UHFFFAOYSA-N 2 1 236.281 2.155 20 0 BEADMP CCS[C@H]1CC[C@@H]([N@@H+](C)CCC[NH2+]C)C1 ZINC000336719418 388467439 /nfs/dbraw/zinc/46/74/39/388467439.db2.gz YEMQVQMZHDTJJW-NEPJUHHUSA-N 2 1 230.421 2.202 20 0 BEADMP Cc1cccnc1CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000404868144 388438957 /nfs/dbraw/zinc/43/89/57/388438957.db2.gz MECSNEMWVQNFPJ-ZFWWWQNUSA-N 2 1 247.386 2.053 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CCC[NH+]2CCC2)C[C@H]1C ZINC000520837858 388537446 /nfs/dbraw/zinc/53/74/46/388537446.db2.gz JFWMXLUGPDEKAJ-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H](c1ccccn1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311187841 388493298 /nfs/dbraw/zinc/49/32/98/388493298.db2.gz BPSGWVDTJJNSCZ-MCIONIFRSA-N 2 1 245.370 2.074 20 0 BEADMP CC[C@H](C)[NH+](C)CCOCC[N@H+](C)[C@@H](C)CC ZINC000178628901 388502399 /nfs/dbraw/zinc/50/23/99/388502399.db2.gz VRNHFRHCOCSYRN-KBPBESRZSA-N 2 1 244.423 2.464 20 0 BEADMP CC[NH+](CCOCC[N@H+](CC)C(C)C)C(C)C ZINC000178616773 388502532 /nfs/dbraw/zinc/50/25/32/388502532.db2.gz QAPCKSSAKZOGMI-UHFFFAOYSA-N 2 1 244.423 2.464 20 0 BEADMP CC(C)C[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346832532 388520359 /nfs/dbraw/zinc/52/03/59/388520359.db2.gz QXEGAEZHXGSDSM-KBPBESRZSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)C[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346832534 388520546 /nfs/dbraw/zinc/52/05/46/388520546.db2.gz QXEGAEZHXGSDSM-UONOGXRCSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H]([NH2+]C)C2)C1 ZINC000346627651 388521000 /nfs/dbraw/zinc/52/10/00/388521000.db2.gz AHRYTTAFRVDMBW-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]([NH2+]C)C2)C1 ZINC000346627651 388521004 /nfs/dbraw/zinc/52/10/04/388521004.db2.gz AHRYTTAFRVDMBW-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H](C)C[N@@H+](C)C1CCN(CC)CC1 ZINC000088492346 388530921 /nfs/dbraw/zinc/53/09/21/388530921.db2.gz ZWFAEEKPQIRXQC-GFCCVEGCSA-N 2 1 212.381 2.449 20 0 BEADMP CC[C@@H](C)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000088492346 388530923 /nfs/dbraw/zinc/53/09/23/388530923.db2.gz ZWFAEEKPQIRXQC-GFCCVEGCSA-N 2 1 212.381 2.449 20 0 BEADMP CC[C@@H](C)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000088492346 388530925 /nfs/dbraw/zinc/53/09/25/388530925.db2.gz ZWFAEEKPQIRXQC-GFCCVEGCSA-N 2 1 212.381 2.449 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2F)[C@H]2CCC[C@H]21 ZINC000550934149 388616911 /nfs/dbraw/zinc/61/69/11/388616911.db2.gz WVMNOXKPDVJCNZ-PEBLQZBPSA-N 2 1 240.366 2.339 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](C)CC)C1 ZINC000245547106 388588210 /nfs/dbraw/zinc/58/82/10/388588210.db2.gz XAFHMGNHQRVWDG-OLZOCXBDSA-N 2 1 212.381 2.354 20 0 BEADMP CO[C@H](C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000379232141 388599878 /nfs/dbraw/zinc/59/98/78/388599878.db2.gz STVCTTYVGSLHTR-AEGPPILISA-N 2 1 248.370 2.043 20 0 BEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)[C@@H]1C ZINC000550307210 388605524 /nfs/dbraw/zinc/60/55/24/388605524.db2.gz RLLOCUSZKOQWCM-UPJWGTAASA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)[C@@H]1C ZINC000550307210 388605526 /nfs/dbraw/zinc/60/55/26/388605526.db2.gz RLLOCUSZKOQWCM-UPJWGTAASA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)[C@@H]1C ZINC000550307210 388605527 /nfs/dbraw/zinc/60/55/27/388605527.db2.gz RLLOCUSZKOQWCM-UPJWGTAASA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCCCO1 ZINC000356696464 388551181 /nfs/dbraw/zinc/55/11/81/388551181.db2.gz MGBXYPRLHQEAEB-RQJABVFESA-N 2 1 240.391 2.016 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CCCCO1 ZINC000356696464 388551182 /nfs/dbraw/zinc/55/11/82/388551182.db2.gz MGBXYPRLHQEAEB-RQJABVFESA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]([N@@H+](C)CCC1CC[NH2+]CC1)C1(C)CC1 ZINC000359199757 388556110 /nfs/dbraw/zinc/55/61/10/388556110.db2.gz FGYBOTHBWVTQTR-GFCCVEGCSA-N 2 1 224.392 2.497 20 0 BEADMP CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367621442 388566614 /nfs/dbraw/zinc/56/66/14/388566614.db2.gz SXDORDIQVCYDBG-XQQFMLRXSA-N 2 1 210.365 2.249 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCOC)[C@@H](C)C1 ZINC000245439390 388580752 /nfs/dbraw/zinc/58/07/52/388580752.db2.gz SUWBYOYSPVASLV-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCOC)[C@@H](C)C1 ZINC000245439390 388580754 /nfs/dbraw/zinc/58/07/54/388580754.db2.gz SUWBYOYSPVASLV-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCOC)[C@@H](C)C1 ZINC000245439390 388580757 /nfs/dbraw/zinc/58/07/57/388580757.db2.gz SUWBYOYSPVASLV-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000248062014 388673225 /nfs/dbraw/zinc/67/32/25/388673225.db2.gz LWSSCNPFALWXKV-ZFWWWQNUSA-N 2 1 247.386 2.005 20 0 BEADMP CCCCC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000248054801 388673489 /nfs/dbraw/zinc/67/34/89/388673489.db2.gz XFDNHZZPZHCRRX-OLZOCXBDSA-N 2 1 212.381 2.497 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]1CC1CC(C)(C)C1 ZINC000530207809 388626322 /nfs/dbraw/zinc/62/63/22/388626322.db2.gz DOUQZQDYVDUERR-LBPRGKRZSA-N 2 1 210.365 2.106 20 0 BEADMP CC1(C)CC(C[N@H+]2CCC[C@H](C[NH3+])C2)C1 ZINC000530213046 388627867 /nfs/dbraw/zinc/62/78/67/388627867.db2.gz UGYLJVIGPUNHIN-LLVKDONJSA-N 2 1 210.365 2.093 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000083056088 388628822 /nfs/dbraw/zinc/62/88/22/388628822.db2.gz MLXSVSLGIWPQKK-WCQYABFASA-N 2 1 210.365 2.106 20 0 BEADMP CC1(C)CC(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000530217095 388630060 /nfs/dbraw/zinc/63/00/60/388630060.db2.gz FIGDJMSYWHYERA-MJBXVCDLSA-N 2 1 236.403 2.482 20 0 BEADMP CC[C@@H]1C[N@@H+](CC2CC(C)(C)C2)CC[C@@H]1[NH3+] ZINC000530217918 388630620 /nfs/dbraw/zinc/63/06/20/388630620.db2.gz JCWDBKXJBDBPEG-OLZOCXBDSA-N 2 1 224.392 2.482 20 0 BEADMP CC1(C)CC(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000530217092 388630751 /nfs/dbraw/zinc/63/07/51/388630751.db2.gz FIGDJMSYWHYERA-BFHYXJOUSA-N 2 1 236.403 2.482 20 0 BEADMP CC1(C)CC(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000530220177 388631443 /nfs/dbraw/zinc/63/14/43/388631443.db2.gz LUBUQLGBXQZEDN-STQMWFEESA-N 2 1 222.376 2.106 20 0 BEADMP C[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C[C@@H]1C[NH3+] ZINC000530222916 388633644 /nfs/dbraw/zinc/63/36/44/388633644.db2.gz IRNCGANPUMHQSV-YPMHNXCESA-N 2 1 224.392 2.339 20 0 BEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC1CC(C)(C)C1 ZINC000530225301 388634086 /nfs/dbraw/zinc/63/40/86/388634086.db2.gz VNGCNHGMVONRSI-CMPLNLGQSA-N 2 1 210.365 2.234 20 0 BEADMP CC1(C)[C@H](c2ccc(F)cc2)CC[N@@H+]1CC[NH3+] ZINC000530233304 388636798 /nfs/dbraw/zinc/63/67/98/388636798.db2.gz WWFCJHBPOVEBCL-ZDUSSCGKSA-N 2 1 236.334 2.352 20 0 BEADMP CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1CC[NH3+] ZINC000530233304 388636799 /nfs/dbraw/zinc/63/67/99/388636799.db2.gz WWFCJHBPOVEBCL-ZDUSSCGKSA-N 2 1 236.334 2.352 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261551914 388644179 /nfs/dbraw/zinc/64/41/79/388644179.db2.gz MOQZSFFIDQFTQJ-SOUVJXGZSA-N 2 1 230.355 2.164 20 0 BEADMP C[NH+]1CCC([NH2+]CCC(C)(C)C2CC2)CC1 ZINC000328566734 388645499 /nfs/dbraw/zinc/64/54/99/388645499.db2.gz NBGHAZNABFHMOU-UHFFFAOYSA-N 2 1 224.392 2.497 20 0 BEADMP CCC(CC)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223284714 388649026 /nfs/dbraw/zinc/64/90/26/388649026.db2.gz DXBIIQRZHASUKU-AAEUAGOBSA-N 2 1 212.381 2.495 20 0 BEADMP CCc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)o1 ZINC000530407215 388653816 /nfs/dbraw/zinc/65/38/16/388653816.db2.gz CDJSBUWMKMHVQK-NSHDSACASA-N 2 1 247.342 2.469 20 0 BEADMP CCOC[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252709042 388772384 /nfs/dbraw/zinc/77/23/84/388772384.db2.gz BWEAWHYGZOGJIB-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCSC2)[C@H](C)C1 ZINC000252715722 388775234 /nfs/dbraw/zinc/77/52/34/388775234.db2.gz WNFLRZDMGZDMGC-AGIUHOORSA-N 2 1 242.432 2.202 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@@H]1C ZINC000252748102 388780272 /nfs/dbraw/zinc/78/02/72/388780272.db2.gz SMHMVBDCCPMYHE-AVGNSLFASA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H]1C ZINC000252748102 388780274 /nfs/dbraw/zinc/78/02/74/388780274.db2.gz SMHMVBDCCPMYHE-AVGNSLFASA-N 2 1 212.381 2.495 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](C)CC(C)(C)OC ZINC000554825665 388832530 /nfs/dbraw/zinc/83/25/30/388832530.db2.gz SJUOEXJKPLGCLC-UHFFFAOYSA-N 2 1 230.396 2.075 20 0 BEADMP CC(C)[C@H]([NH2+][C@@H](C)C[NH3+])c1ccccc1 ZINC000232721163 388856710 /nfs/dbraw/zinc/85/67/10/388856710.db2.gz YYOUJZUUECYFDS-AAEUAGOBSA-N 2 1 206.333 2.321 20 0 BEADMP CC(C)[N@@H+](CCCc1cncn1C)C1CC1 ZINC000565165198 388920747 /nfs/dbraw/zinc/92/07/47/388920747.db2.gz PMHLHHQUROVLFP-UHFFFAOYSA-N 2 1 221.348 2.226 20 0 BEADMP CC(C)[N@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000565165198 388920749 /nfs/dbraw/zinc/92/07/49/388920749.db2.gz PMHLHHQUROVLFP-UHFFFAOYSA-N 2 1 221.348 2.226 20 0 BEADMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000565165198 388920751 /nfs/dbraw/zinc/92/07/51/388920751.db2.gz PMHLHHQUROVLFP-UHFFFAOYSA-N 2 1 221.348 2.226 20 0 BEADMP Cc1ccc(F)cc1C[NH2+]CCC[NH+]1CCC1 ZINC000565212999 388927048 /nfs/dbraw/zinc/92/70/48/388927048.db2.gz BMZCVFOMVJSSMU-UHFFFAOYSA-N 2 1 236.334 2.320 20 0 BEADMP COc1cc(C)ccc1C[NH2+]CCCN1CCC1 ZINC000565217927 388927495 /nfs/dbraw/zinc/92/74/95/388927495.db2.gz NJPCLKJXQKMKJX-UHFFFAOYSA-N 2 1 248.370 2.189 20 0 BEADMP C([NH2+][C@H]1CCCC12CC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000565242671 388931308 /nfs/dbraw/zinc/93/13/08/388931308.db2.gz GVQSIDLWXWHNPR-OCCSQVGLSA-N 2 1 234.387 2.393 20 0 BEADMP c1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)nc1 ZINC000564975600 388904213 /nfs/dbraw/zinc/90/42/13/388904213.db2.gz LEXJVSDCZHSTDN-DZGCQCFKSA-N 2 1 245.370 2.218 20 0 BEADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000565782003 388968675 /nfs/dbraw/zinc/96/86/75/388968675.db2.gz BFPOTFNFIRNMJE-XBFCOCLRSA-N 2 1 233.359 2.131 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000268824976 389003964 /nfs/dbraw/zinc/00/39/64/389003964.db2.gz QQDDVKCCSGEEQX-JTQLQIEISA-N 2 1 248.305 2.076 20 0 BEADMP CCSCC[NH2+]CCCCn1cc[nH+]c1C ZINC000273655223 389042550 /nfs/dbraw/zinc/04/25/50/389042550.db2.gz DFLOXAHFEOGZPW-UHFFFAOYSA-N 2 1 241.404 2.314 20 0 BEADMP C(=C/c1ccccc1)\C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261553069 533354034 /nfs/dbraw/zinc/35/40/34/533354034.db2.gz ACBSYRKGRYGNKV-KBKYZLAFSA-N 2 1 242.366 2.384 20 0 BEADMP C(=C/c1ccccc1)\C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261553069 533354039 /nfs/dbraw/zinc/35/40/39/533354039.db2.gz ACBSYRKGRYGNKV-KBKYZLAFSA-N 2 1 242.366 2.384 20 0 BEADMP C(=C/c1ccccc1)\C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261553071 533354160 /nfs/dbraw/zinc/35/41/60/533354160.db2.gz ACBSYRKGRYGNKV-YFWHOBGESA-N 2 1 242.366 2.384 20 0 BEADMP C(=C/c1ccccc1)\C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261553071 533354166 /nfs/dbraw/zinc/35/41/66/533354166.db2.gz ACBSYRKGRYGNKV-YFWHOBGESA-N 2 1 242.366 2.384 20 0 BEADMP C[C@@H]([NH2+]CCc1cccs1)[C@H]1CCC[NH2+]1 ZINC000400504520 533404872 /nfs/dbraw/zinc/40/48/72/533404872.db2.gz HNMWAYRHZFZOQD-ZYHUDNBSSA-N 2 1 224.373 2.021 20 0 BEADMP Cc1cc[nH+]c(N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000063201403 132241708 /nfs/dbraw/zinc/24/17/08/132241708.db2.gz UGXUJEHOGOTPOI-CQSZACIVSA-N 2 1 245.370 2.358 20 0 BEADMP Cc1c[nH+]ccc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000334146703 132249717 /nfs/dbraw/zinc/24/97/17/132249717.db2.gz CKUGHGIBPOCWIQ-UHFFFAOYSA-N 2 1 242.326 2.497 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCCF)C1 ZINC000352002464 134033654 /nfs/dbraw/zinc/03/36/54/134033654.db2.gz HLSPCFBRRRHUPY-GFCCVEGCSA-N 2 1 216.344 2.010 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCCF)C1 ZINC000352002464 134033655 /nfs/dbraw/zinc/03/36/55/134033655.db2.gz HLSPCFBRRRHUPY-GFCCVEGCSA-N 2 1 216.344 2.010 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCCF)C1 ZINC000352002464 134033656 /nfs/dbraw/zinc/03/36/56/134033656.db2.gz HLSPCFBRRRHUPY-GFCCVEGCSA-N 2 1 216.344 2.010 20 0 BEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCCF)C1 ZINC000352011220 134035429 /nfs/dbraw/zinc/03/54/29/134035429.db2.gz ACTNQOWWZCJFML-CQSZACIVSA-N 2 1 242.382 2.400 20 0 BEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCCF)C1 ZINC000352011220 134035430 /nfs/dbraw/zinc/03/54/30/134035430.db2.gz ACTNQOWWZCJFML-CQSZACIVSA-N 2 1 242.382 2.400 20 0 BEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCCF)C1 ZINC000352011220 134035431 /nfs/dbraw/zinc/03/54/31/134035431.db2.gz ACTNQOWWZCJFML-CQSZACIVSA-N 2 1 242.382 2.400 20 0 BEADMP C[C@@H](F)CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000352012709 134035725 /nfs/dbraw/zinc/03/57/25/134035725.db2.gz GIKYMWJKDFUYKH-TZMCWYRMSA-N 2 1 242.382 2.398 20 0 BEADMP C[C@@H](F)CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000352012709 134035726 /nfs/dbraw/zinc/03/57/26/134035726.db2.gz GIKYMWJKDFUYKH-TZMCWYRMSA-N 2 1 242.382 2.398 20 0 BEADMP C[C@H](F)CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000352014826 134036146 /nfs/dbraw/zinc/03/61/46/134036146.db2.gz OBEWWRYUROLAGB-SRVKXCTJSA-N 2 1 216.344 2.149 20 0 BEADMP C[C@H](F)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000352014826 134036147 /nfs/dbraw/zinc/03/61/47/134036147.db2.gz OBEWWRYUROLAGB-SRVKXCTJSA-N 2 1 216.344 2.149 20 0 BEADMP C[C@H](F)CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000352014826 134036148 /nfs/dbraw/zinc/03/61/48/134036148.db2.gz OBEWWRYUROLAGB-SRVKXCTJSA-N 2 1 216.344 2.149 20 0 BEADMP C[C@H](F)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000352014826 134036149 /nfs/dbraw/zinc/03/61/49/134036149.db2.gz OBEWWRYUROLAGB-SRVKXCTJSA-N 2 1 216.344 2.149 20 0 BEADMP [NH3+]C1(C[NH2+][C@H]2CCc3ccc(F)cc32)CCC1 ZINC000335985688 134038658 /nfs/dbraw/zinc/03/86/58/134038658.db2.gz GFQNVUGAUIGCTQ-ZDUSSCGKSA-N 2 1 234.318 2.284 20 0 BEADMP C[C@@H]1CC[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1 ZINC000336054445 134065713 /nfs/dbraw/zinc/06/57/13/134065713.db2.gz AURFSMYCRYCJHB-HIFRSBDPSA-N 2 1 236.403 2.498 20 0 BEADMP Cc1ccnc(N2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000336179560 134117691 /nfs/dbraw/zinc/11/76/91/134117691.db2.gz SBGGONUYASIVRD-UHFFFAOYSA-N 2 1 245.370 2.455 20 0 BEADMP Cc1cc[nH+]c(N2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000336179560 134117692 /nfs/dbraw/zinc/11/76/92/134117692.db2.gz SBGGONUYASIVRD-UHFFFAOYSA-N 2 1 245.370 2.455 20 0 BEADMP Cc1cc[nH+]c(N2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000336179560 134117693 /nfs/dbraw/zinc/11/76/93/134117693.db2.gz SBGGONUYASIVRD-UHFFFAOYSA-N 2 1 245.370 2.455 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2cccs2)C[C@@H]1C[NH3+] ZINC000167598861 134118898 /nfs/dbraw/zinc/11/88/98/134118898.db2.gz GOSSCKJLDSKVQF-MNOVXSKESA-N 2 1 224.373 2.165 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCCOC(C)C)[C@H](C)C1 ZINC000178192043 134304615 /nfs/dbraw/zinc/30/46/15/134304615.db2.gz HYMMUXZRUMTPQI-KGLIPLIRSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1Cc2ccccc2C[N@H+]1CC1CC[NH2+]CC1 ZINC000178975100 134314149 /nfs/dbraw/zinc/31/41/49/134314149.db2.gz XXLNPWDHQAXGBC-CYBMUJFWSA-N 2 1 244.382 2.433 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000223233232 134337853 /nfs/dbraw/zinc/33/78/53/134337853.db2.gz UTWGXNNTVBHEKZ-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000223233232 134337854 /nfs/dbraw/zinc/33/78/54/134337854.db2.gz UTWGXNNTVBHEKZ-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP CC(C)CCC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000226468782 134363445 /nfs/dbraw/zinc/36/34/45/134363445.db2.gz OFDNAWPZTLTFAO-ZDUSSCGKSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@@H]1CCSC1 ZINC000226378015 134364570 /nfs/dbraw/zinc/36/45/70/134364570.db2.gz WLPXTJQLXJJSBC-RYUDHWBXSA-N 2 1 230.421 2.059 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@@H]1CCSC1 ZINC000226378015 134364571 /nfs/dbraw/zinc/36/45/71/134364571.db2.gz WLPXTJQLXJJSBC-RYUDHWBXSA-N 2 1 230.421 2.059 20 0 BEADMP Cc1occc1C[NH2+]CCC[NH+]1CCCC1 ZINC000163626987 135021793 /nfs/dbraw/zinc/02/17/93/135021793.db2.gz PXQVFYRKGAUOKA-UHFFFAOYSA-N 2 1 222.332 2.164 20 0 BEADMP CC(C)CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000163666385 135040687 /nfs/dbraw/zinc/04/06/87/135040687.db2.gz NUCLYPABRYEUJQ-XQQFMLRXSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@H]1C[N@@H+](CCC2CCCC2)CC[C@H]1[NH3+] ZINC000251891951 135080267 /nfs/dbraw/zinc/08/02/67/135080267.db2.gz VQPPCRBHGUAXFG-WCQYABFASA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)[C@H]1C ZINC000252196667 135086757 /nfs/dbraw/zinc/08/67/57/135086757.db2.gz SMNWGLPOTAGPIU-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000252439517 135089014 /nfs/dbraw/zinc/08/90/14/135089014.db2.gz PPFDCIHSNHBGOP-YNEHKIRRSA-N 2 1 212.381 2.352 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOC(C)C)[C@@H](C)C1 ZINC000252644012 135093540 /nfs/dbraw/zinc/09/35/40/135093540.db2.gz HYMMUXZRUMTPQI-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP CCc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000252697449 135098334 /nfs/dbraw/zinc/09/83/34/135098334.db2.gz HMBKIVGFRFODGX-IUODEOHRSA-N 2 1 232.371 2.418 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC1CCCC1 ZINC000252710145 135099525 /nfs/dbraw/zinc/09/95/25/135099525.db2.gz FURIRQNBNMOQRP-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccccc1 ZINC000252710984 135099536 /nfs/dbraw/zinc/09/95/36/135099536.db2.gz IFKNTQHOSCZARD-DZGCQCFKSA-N 2 1 232.371 2.159 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CCCC1 ZINC000252711813 135100466 /nfs/dbraw/zinc/10/04/66/135100466.db2.gz KRLJCZIYNXKGSH-DGCLKSJQSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252715304 135101674 /nfs/dbraw/zinc/10/16/74/135101674.db2.gz VEYBWBHZRZJHAJ-CHWSQXEVSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(C)CCCC1 ZINC000252729730 135103501 /nfs/dbraw/zinc/10/35/01/135103501.db2.gz IAPZSHYFRUURSX-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252731155 135104108 /nfs/dbraw/zinc/10/41/08/135104108.db2.gz ONGGRQRKKHLWRI-LPWJVIDDSA-N 2 1 210.365 2.105 20 0 BEADMP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252731155 135104109 /nfs/dbraw/zinc/10/41/09/135104109.db2.gz ONGGRQRKKHLWRI-LPWJVIDDSA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)CSCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252732981 135104843 /nfs/dbraw/zinc/10/48/43/135104843.db2.gz XIZBWKOUULTOOD-CHWSQXEVSA-N 2 1 244.448 2.305 20 0 BEADMP CC(C)C1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000252731984 135104879 /nfs/dbraw/zinc/10/48/79/135104879.db2.gz SNUDHVCQFKJEFK-CHWSQXEVSA-N 2 1 224.392 2.352 20 0 BEADMP CCS[C@H]1CC[C@@H]([N@@H+](C)CC(C)(C)[NH3+])C1 ZINC000261560081 135109880 /nfs/dbraw/zinc/10/98/80/135109880.db2.gz ZNJAYPDIJYZKSN-MNOVXSKESA-N 2 1 230.421 2.330 20 0 BEADMP CCSCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252816516 135111729 /nfs/dbraw/zinc/11/17/29/135111729.db2.gz KMJVVIQMIYHQLA-OLZOCXBDSA-N 2 1 242.432 2.346 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000252891164 135116659 /nfs/dbraw/zinc/11/66/59/135116659.db2.gz JPRHVNFZRMBVTD-ZWNOBZJWSA-N 2 1 238.400 2.486 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000252891164 135116662 /nfs/dbraw/zinc/11/66/62/135116662.db2.gz JPRHVNFZRMBVTD-ZWNOBZJWSA-N 2 1 238.400 2.486 20 0 BEADMP Cc1cscc1C[NH2+]C1CC[NH+](C)CC1 ZINC000087309526 135122184 /nfs/dbraw/zinc/12/21/84/135122184.db2.gz VAQFEZJGVZVBNY-UHFFFAOYSA-N 2 1 224.373 2.240 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2cccs2)C[C@H]1C[NH3+] ZINC000253183485 135123094 /nfs/dbraw/zinc/12/30/94/135123094.db2.gz GOSSCKJLDSKVQF-GHMZBOCLSA-N 2 1 224.373 2.165 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CC[C@@H](C)C1 ZINC000253190095 135123914 /nfs/dbraw/zinc/12/39/14/135123914.db2.gz KOYWOJNTSUNJNL-AGIUHOORSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CC[C@@H](C)C1 ZINC000253190095 135123915 /nfs/dbraw/zinc/12/39/15/135123915.db2.gz KOYWOJNTSUNJNL-AGIUHOORSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2ccsc2)C[C@H]1C[NH3+] ZINC000253200968 135124736 /nfs/dbraw/zinc/12/47/36/135124736.db2.gz XKBUNVDUFAERAO-ZYHUDNBSSA-N 2 1 224.373 2.165 20 0 BEADMP c1csc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000257640627 135137349 /nfs/dbraw/zinc/13/73/49/135137349.db2.gz AVBBAQDNOCAGMB-CYBMUJFWSA-N 2 1 236.384 2.324 20 0 BEADMP c1csc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000257640627 135137351 /nfs/dbraw/zinc/13/73/51/135137351.db2.gz AVBBAQDNOCAGMB-CYBMUJFWSA-N 2 1 236.384 2.324 20 0 BEADMP CC(C)CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257712890 135140821 /nfs/dbraw/zinc/14/08/21/135140821.db2.gz UAKPTSYMRTTXSX-CYBMUJFWSA-N 2 1 210.365 2.108 20 0 BEADMP CC(C)(C)[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000257782417 135141557 /nfs/dbraw/zinc/14/15/57/135141557.db2.gz QLPVATVGLHXTPK-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000087472224 135143200 /nfs/dbraw/zinc/14/32/00/135143200.db2.gz QIMHNNHPOKIUCZ-ZDUSSCGKSA-N 2 1 220.360 2.331 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC000087472259 135143598 /nfs/dbraw/zinc/14/35/98/135143598.db2.gz UGKZYTWSDCZYNO-UHFFFAOYSA-N 2 1 220.360 2.345 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])s1 ZINC000261529413 135156039 /nfs/dbraw/zinc/15/60/39/135156039.db2.gz RVDUOBQYFBGZBJ-GUBZILKMSA-N 2 1 212.362 2.443 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000261529758 135156284 /nfs/dbraw/zinc/15/62/84/135156284.db2.gz VCKMSSLTNUWBAY-IUCAKERBSA-N 2 1 212.724 2.165 20 0 BEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000261529759 135156437 /nfs/dbraw/zinc/15/64/37/135156437.db2.gz VCKMSSLTNUWBAY-RKDXNWHRSA-N 2 1 212.724 2.165 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000261530064 135157387 /nfs/dbraw/zinc/15/73/87/135157387.db2.gz BVHUYVIEEDFQMW-IJLUTSLNSA-N 2 1 210.365 2.010 20 0 BEADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccsc1 ZINC000261530968 135159036 /nfs/dbraw/zinc/15/90/36/135159036.db2.gz DSXKCCCKVPZXSH-NSHDSACASA-N 2 1 224.373 2.226 20 0 BEADMP CC(C)[C@H](C)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261530858 135159480 /nfs/dbraw/zinc/15/94/80/135159480.db2.gz DIDRAFOUPUORSR-AGIUHOORSA-N 2 1 212.381 2.351 20 0 BEADMP CCc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1 ZINC000087653259 135160630 /nfs/dbraw/zinc/16/06/30/135160630.db2.gz WBMHKUFHDKCUGF-UHFFFAOYSA-N 2 1 218.344 2.171 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261533645 135164879 /nfs/dbraw/zinc/16/48/79/135164879.db2.gz JCKHJDLGGWBNON-TZMCWYRMSA-N 2 1 218.344 2.082 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261533645 135164880 /nfs/dbraw/zinc/16/48/80/135164880.db2.gz JCKHJDLGGWBNON-TZMCWYRMSA-N 2 1 218.344 2.082 20 0 BEADMP CC(C)C[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000261534210 135166440 /nfs/dbraw/zinc/16/64/40/135166440.db2.gz OTNOTEOISXTQPE-OLZOCXBDSA-N 2 1 224.392 2.495 20 0 BEADMP [NH3+]CC[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000261534634 135167567 /nfs/dbraw/zinc/16/75/67/135167567.db2.gz MWANPPRIVKFEPD-CYBMUJFWSA-N 2 1 210.365 2.380 20 0 BEADMP [NH3+]CC[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000261534634 135167568 /nfs/dbraw/zinc/16/75/68/135167568.db2.gz MWANPPRIVKFEPD-CYBMUJFWSA-N 2 1 210.365 2.380 20 0 BEADMP CCCC[C@@H](C[NH3+])Nc1cc(C)[nH+]c(C)n1 ZINC000087780066 135168112 /nfs/dbraw/zinc/16/81/12/135168112.db2.gz IYHSKRTZQIIUJN-NSHDSACASA-N 2 1 222.336 2.023 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@H]2C)CC[NH2+]1 ZINC000261535302 135169480 /nfs/dbraw/zinc/16/94/80/135169480.db2.gz OBLVBDRSHHJVOE-JHJVBQTASA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC000261535560 135169592 /nfs/dbraw/zinc/16/95/92/135169592.db2.gz ONXWXSRLUDJVDF-DGCLKSJQSA-N 2 1 210.365 2.236 20 0 BEADMP CCC[N@H+](CCn1cc[nH+]c1C)C1CC1 ZINC000270817501 135173718 /nfs/dbraw/zinc/17/37/18/135173718.db2.gz AQLWCOYCULQPPF-UHFFFAOYSA-N 2 1 207.321 2.066 20 0 BEADMP CCC[N@@H+](CCn1cc[nH+]c1C)C1CC1 ZINC000270817501 135173719 /nfs/dbraw/zinc/17/37/19/135173719.db2.gz AQLWCOYCULQPPF-UHFFFAOYSA-N 2 1 207.321 2.066 20 0 BEADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC000261538876 135177010 /nfs/dbraw/zinc/17/70/10/135177010.db2.gz ZRIHFXFSGQHZLI-RYUDHWBXSA-N 2 1 206.333 2.335 20 0 BEADMP Cc1ccc([C@H](C)[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC000261538876 135177011 /nfs/dbraw/zinc/17/70/11/135177011.db2.gz ZRIHFXFSGQHZLI-RYUDHWBXSA-N 2 1 206.333 2.335 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000261538901 135177310 /nfs/dbraw/zinc/17/73/10/135177310.db2.gz ZSWPITWONYNDLQ-WOPDTQHZSA-N 2 1 206.333 2.381 20 0 BEADMP C[C@H]1CCCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261539322 135177843 /nfs/dbraw/zinc/17/78/43/135177843.db2.gz CCRCMMGMJILHSB-STQMWFEESA-N 2 1 210.365 2.108 20 0 BEADMP C[C@H](c1ccncc1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261541669 135181630 /nfs/dbraw/zinc/18/16/30/135181630.db2.gz LUNNIFRTPGFKIL-OLZOCXBDSA-N 2 1 233.359 2.074 20 0 BEADMP C[C@H](c1ccncc1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261541669 135181631 /nfs/dbraw/zinc/18/16/31/135181631.db2.gz LUNNIFRTPGFKIL-OLZOCXBDSA-N 2 1 233.359 2.074 20 0 BEADMP CC[C@H]1CCC[C@@H](C[N@H+](C)CC[NH2+]C)C1 ZINC000261541999 135182536 /nfs/dbraw/zinc/18/25/36/135182536.db2.gz GGAVXZLLOJEGIG-QWHCGFSZSA-N 2 1 212.381 2.354 20 0 BEADMP CC[C@H]1CCC[C@@H](C[N@@H+](C)CC[NH2+]C)C1 ZINC000261541999 135182538 /nfs/dbraw/zinc/18/25/38/135182538.db2.gz GGAVXZLLOJEGIG-QWHCGFSZSA-N 2 1 212.381 2.354 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C(C)(C)C1 ZINC000261548691 135187737 /nfs/dbraw/zinc/18/77/37/135187737.db2.gz NVYXZAZJANVJMD-NSHDSACASA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1CCCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261551334 135189850 /nfs/dbraw/zinc/18/98/50/135189850.db2.gz QJGAGMVXVZPUCP-STQMWFEESA-N 2 1 210.365 2.108 20 0 BEADMP CC1CCC(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000261550949 135190344 /nfs/dbraw/zinc/19/03/44/135190344.db2.gz LQDLKCGVTBUCIF-MMCPYJTDSA-N 2 1 236.403 2.482 20 0 BEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCc2occc21 ZINC000261553579 135192932 /nfs/dbraw/zinc/19/29/32/135192932.db2.gz OAUXYOBPOOQDSX-WXHSDQCUSA-N 2 1 234.343 2.245 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000261558090 135198899 /nfs/dbraw/zinc/19/88/99/135198899.db2.gz SGHYVCKLMWNWEF-QWRGUYRKSA-N 2 1 229.327 2.060 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261558449 135199432 /nfs/dbraw/zinc/19/94/32/135199432.db2.gz SKVJENOJBNYOIF-LSDHHAIUSA-N 2 1 230.355 2.179 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261561039 135201839 /nfs/dbraw/zinc/20/18/39/135201839.db2.gz FRYYUSRDJCWHSM-INIZCTEOSA-N 2 1 244.382 2.489 20 0 BEADMP CCc1ccc([C@@H]([NH2+]CC[NH3+])C(C)C)cc1 ZINC000261561240 135202667 /nfs/dbraw/zinc/20/26/67/135202667.db2.gz ANJHIZAOVXWXBX-AWEZNQCLSA-N 2 1 220.360 2.494 20 0 BEADMP Cc1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261561679 135203001 /nfs/dbraw/zinc/20/30/01/135203001.db2.gz VPESSKODPJYVGW-GJZGRUSLSA-N 2 1 230.355 2.179 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(C)c1 ZINC000261562770 135204771 /nfs/dbraw/zinc/20/47/71/135204771.db2.gz GQAOJNDEPBCGAN-HOTGVXAUSA-N 2 1 244.382 2.487 20 0 BEADMP CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000261564568 135206902 /nfs/dbraw/zinc/20/69/02/135206902.db2.gz XTBOXCCVJPHZEX-SRVKXCTJSA-N 2 1 236.359 2.472 20 0 BEADMP CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000261564573 135207128 /nfs/dbraw/zinc/20/71/28/135207128.db2.gz XTBOXCCVJPHZEX-WOPDTQHZSA-N 2 1 236.359 2.472 20 0 BEADMP C[C@@H]1SCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000164176513 135214444 /nfs/dbraw/zinc/21/44/44/135214444.db2.gz WKCYGPCGWMNDGQ-AVGNSLFASA-N 2 1 242.432 2.202 20 0 BEADMP CCc1nc(N[C@H](C[NH3+])C2CCCC2)cc(C)[nH+]1 ZINC000261572544 135214615 /nfs/dbraw/zinc/21/46/15/135214615.db2.gz LRXGVBFVFYBGIO-GFCCVEGCSA-N 2 1 248.374 2.277 20 0 BEADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(F)c(F)c1 ZINC000261575833 135216913 /nfs/dbraw/zinc/21/69/13/135216913.db2.gz JXIXFERZWTXSMW-MRVPVSSYSA-N 2 1 228.286 2.353 20 0 BEADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261576467 135217752 /nfs/dbraw/zinc/21/77/52/135217752.db2.gz NQXHUKXOXULNQA-GXTWGEPZSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261576467 135217753 /nfs/dbraw/zinc/21/77/53/135217753.db2.gz NQXHUKXOXULNQA-GXTWGEPZSA-N 2 1 248.345 2.175 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261576258 135217771 /nfs/dbraw/zinc/21/77/71/135217771.db2.gz NOIFIPZENKZOOT-MRXNPFEDSA-N 2 1 244.382 2.434 20 0 BEADMP C[NH2+]C1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000261579417 135220335 /nfs/dbraw/zinc/22/03/35/135220335.db2.gz PMYZJUFALDCIOX-GFCCVEGCSA-N 2 1 248.370 2.440 20 0 BEADMP CC1(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCC1 ZINC000261580796 135221843 /nfs/dbraw/zinc/22/18/43/135221843.db2.gz NDJFEOZGWJGZGI-YNEHKIRRSA-N 2 1 222.376 2.236 20 0 BEADMP C[C@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000261581333 135222405 /nfs/dbraw/zinc/22/24/05/135222405.db2.gz QPBQNOXPLLRNRL-BMFZPTHFSA-N 2 1 244.382 2.331 20 0 BEADMP C[C@H](c1ccccc1F)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261582412 135223041 /nfs/dbraw/zinc/22/30/41/135223041.db2.gz REAGFVITWXEQCO-FRRDWIJNSA-N 2 1 248.345 2.428 20 0 BEADMP C[C@H](c1ccccc1F)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261582412 135223042 /nfs/dbraw/zinc/22/30/42/135223042.db2.gz REAGFVITWXEQCO-FRRDWIJNSA-N 2 1 248.345 2.428 20 0 BEADMP CC1CCC(C[N@H+]2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000261582347 135223601 /nfs/dbraw/zinc/22/36/01/135223601.db2.gz OFQSGIOBFCROEL-RUXDESIVSA-N 2 1 224.392 2.483 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261585621 135226712 /nfs/dbraw/zinc/22/67/12/135226712.db2.gz TYCRLJLTKXELAM-HOCLYGCPSA-N 2 1 244.382 2.345 20 0 BEADMP CCc1nc(NC[C@H]2CCC[C@H]([NH3+])C2)cc(C)[nH+]1 ZINC000261585868 135227105 /nfs/dbraw/zinc/22/71/05/135227105.db2.gz UABYPYVSTOBLAI-RYUDHWBXSA-N 2 1 248.374 2.277 20 0 BEADMP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261589531 135229918 /nfs/dbraw/zinc/22/99/18/135229918.db2.gz WHZGBLCSYVTJOO-XBFCOCLRSA-N 2 1 248.345 2.428 20 0 BEADMP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261589531 135229920 /nfs/dbraw/zinc/22/99/20/135229920.db2.gz WHZGBLCSYVTJOO-XBFCOCLRSA-N 2 1 248.345 2.428 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261589787 135230286 /nfs/dbraw/zinc/23/02/86/135230286.db2.gz WMYTWLLGLFKGKP-HOTGVXAUSA-N 2 1 244.382 2.487 20 0 BEADMP CCc1cc(NCC2([NH3+])CCCCC2)nc(C)[nH+]1 ZINC000261591668 135231951 /nfs/dbraw/zinc/23/19/51/135231951.db2.gz XZECUOQFPQDGBU-UHFFFAOYSA-N 2 1 248.374 2.421 20 0 BEADMP Cc1ccsc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261592430 135232662 /nfs/dbraw/zinc/23/26/62/135232662.db2.gz VWDSRHQUJQZJNW-VXGBXAGGSA-N 2 1 236.384 2.240 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000261545893 135238046 /nfs/dbraw/zinc/23/80/46/135238046.db2.gz MWEIFBSLJCEECS-LBPRGKRZSA-N 2 1 241.338 2.015 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1F ZINC000261546760 135239142 /nfs/dbraw/zinc/23/91/42/135239142.db2.gz HGIPIXCIRUTNEA-AWEZNQCLSA-N 2 1 236.334 2.305 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1F ZINC000261546760 135239144 /nfs/dbraw/zinc/23/91/44/135239144.db2.gz HGIPIXCIRUTNEA-AWEZNQCLSA-N 2 1 236.334 2.305 20 0 BEADMP CC[C@@H]1[C@@H](C)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000261546633 135239556 /nfs/dbraw/zinc/23/95/56/135239556.db2.gz LCGFSXSDRPPVDA-WCQYABFASA-N 2 1 210.365 2.106 20 0 BEADMP CCC[N@@H+](C[C@@H]1C[C@@H]1C)C1CC[NH2+]CC1 ZINC000261547317 135240144 /nfs/dbraw/zinc/24/01/44/135240144.db2.gz MCHPFPOSWMXQQB-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc(N)c2)CC[N@@H+]1C ZINC000261613992 135244410 /nfs/dbraw/zinc/24/44/10/135244410.db2.gz APCUMVYQUZTZOP-SWLSCSKDSA-N 2 1 247.386 2.183 20 0 BEADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc(N)c2)CC[N@H+]1C ZINC000261613992 135244411 /nfs/dbraw/zinc/24/44/11/135244411.db2.gz APCUMVYQUZTZOP-SWLSCSKDSA-N 2 1 247.386 2.183 20 0 BEADMP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(N)c2)CC[NH+]1C ZINC000261613992 135244412 /nfs/dbraw/zinc/24/44/12/135244412.db2.gz APCUMVYQUZTZOP-SWLSCSKDSA-N 2 1 247.386 2.183 20 0 BEADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(N)c2)CC[NH+]1C ZINC000261613992 135244413 /nfs/dbraw/zinc/24/44/13/135244413.db2.gz APCUMVYQUZTZOP-SWLSCSKDSA-N 2 1 247.386 2.183 20 0 BEADMP C[C@H]1CC2(CCC2)C[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261740112 135248807 /nfs/dbraw/zinc/24/88/07/135248807.db2.gz IHBACOPDXKTAJN-STQMWFEESA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)CC1(C)C ZINC000261768988 135251284 /nfs/dbraw/zinc/25/12/84/135251284.db2.gz MIOCHGPBBOSMQM-TZMCWYRMSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC1(C)C ZINC000261768986 135251426 /nfs/dbraw/zinc/25/14/26/135251426.db2.gz MIOCHGPBBOSMQM-OCCSQVGLSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)[C@@H]2CCCC[C@@H]21 ZINC000261914141 135262411 /nfs/dbraw/zinc/26/24/11/135262411.db2.gz YYQKIYCZXFZKPH-KBUPBQIOSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CC(C)(C)C1 ZINC000261985108 135270021 /nfs/dbraw/zinc/27/00/21/135270021.db2.gz RVGZBQXHIWFXSL-CHWSQXEVSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3CCC[C@@H]32)CC[NH2+]1 ZINC000262013533 135273007 /nfs/dbraw/zinc/27/30/07/135273007.db2.gz UZPGLQJZOLKUSJ-SYQHCUMBSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262122202 135280282 /nfs/dbraw/zinc/28/02/82/135280282.db2.gz XJDGNGXMHKAPOG-ILXRZTDVSA-N 2 1 236.403 2.498 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262122207 135280617 /nfs/dbraw/zinc/28/06/17/135280617.db2.gz XJDGNGXMHKAPOG-RBSFLKMASA-N 2 1 236.403 2.498 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccccc1 ZINC000342548604 135286910 /nfs/dbraw/zinc/28/69/10/135286910.db2.gz QBTKEWGKFYDFAN-UHFFFAOYSA-N 2 1 229.327 2.324 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccccc1 ZINC000342548604 135286912 /nfs/dbraw/zinc/28/69/12/135286912.db2.gz QBTKEWGKFYDFAN-UHFFFAOYSA-N 2 1 229.327 2.324 20 0 BEADMP c1c[nH]c([C@H]2CCC[N@H+](C[C@H]3CCCOC3)C2)n1 ZINC000334223897 135328713 /nfs/dbraw/zinc/32/87/13/135328713.db2.gz AESXHLSOSMVKKD-OLZOCXBDSA-N 2 1 249.358 2.016 20 0 BEADMP c1c[nH]c([C@@H]2CCC[N@H+](C[C@@H]3CCCOC3)C2)n1 ZINC000334223901 135329301 /nfs/dbraw/zinc/32/93/01/135329301.db2.gz AESXHLSOSMVKKD-QWHCGFSZSA-N 2 1 249.358 2.016 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000334356229 135369283 /nfs/dbraw/zinc/36/92/83/135369283.db2.gz MTUINFFTJLUFAL-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CC[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000334356229 135369284 /nfs/dbraw/zinc/36/92/84/135369284.db2.gz MTUINFFTJLUFAL-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CC[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000334356229 135369286 /nfs/dbraw/zinc/36/92/86/135369286.db2.gz MTUINFFTJLUFAL-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP Cc1cncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000299901253 135381055 /nfs/dbraw/zinc/38/10/55/135381055.db2.gz BKDCLXRKXXWSNM-CABCVRRESA-N 2 1 245.370 2.106 20 0 BEADMP Cc1cncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000299901253 135381057 /nfs/dbraw/zinc/38/10/57/135381057.db2.gz BKDCLXRKXXWSNM-CABCVRRESA-N 2 1 245.370 2.106 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)C1 ZINC000299916042 135381593 /nfs/dbraw/zinc/38/15/93/135381593.db2.gz GXQFRDSJRVWWGQ-BARDWOONSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1ccccc1[C@H]1CC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000334398791 135388246 /nfs/dbraw/zinc/38/82/46/135388246.db2.gz XKLOXGAIEJPTSH-OLZOCXBDSA-N 2 1 218.344 2.132 20 0 BEADMP Cc1ccccc1[C@H]1CC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000334398791 135388247 /nfs/dbraw/zinc/38/82/47/135388247.db2.gz XKLOXGAIEJPTSH-OLZOCXBDSA-N 2 1 218.344 2.132 20 0 BEADMP [NH3+]CC[C@H]1CCCN(c2cc[nH+]cc2Cl)C1 ZINC000086840011 135497577 /nfs/dbraw/zinc/49/75/77/135497577.db2.gz CYHIHPZIWHMKIP-SNVBAGLBSA-N 2 1 239.750 2.300 20 0 BEADMP CC(C)[C@H](C)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348078410 136034552 /nfs/dbraw/zinc/03/45/52/136034552.db2.gz LAMJCSXKBSYTJB-STQMWFEESA-N 2 1 212.381 2.447 20 0 BEADMP FCC1(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000335390858 136090498 /nfs/dbraw/zinc/09/04/98/136090498.db2.gz BOQYVCUELXUPTA-NEPJUHHUSA-N 2 1 226.339 2.095 20 0 BEADMP FCC1([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000335390858 136090499 /nfs/dbraw/zinc/09/04/99/136090499.db2.gz BOQYVCUELXUPTA-NEPJUHHUSA-N 2 1 226.339 2.095 20 0 BEADMP FCC1([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000335390858 136090500 /nfs/dbraw/zinc/09/05/00/136090500.db2.gz BOQYVCUELXUPTA-NEPJUHHUSA-N 2 1 226.339 2.095 20 0 BEADMP CC(C)([NH3+])C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000335595271 136104603 /nfs/dbraw/zinc/10/46/03/136104603.db2.gz ACOMGAPQOPYWOA-GFCCVEGCSA-N 2 1 234.343 2.097 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)nc1C ZINC000335595757 136104802 /nfs/dbraw/zinc/10/48/02/136104802.db2.gz OOIVTSBTIPOSPH-WFASDCNBSA-N 2 1 247.386 2.176 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCCSC1)c1c[nH+]ccc1N ZINC000335565725 136107434 /nfs/dbraw/zinc/10/74/34/136107434.db2.gz RGPNURRJGRLCNO-VHSXEESVSA-N 2 1 237.372 2.040 20 0 BEADMP CC[C@H](C)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335571546 136110046 /nfs/dbraw/zinc/11/00/46/136110046.db2.gz FLVRDMSGMPPFBC-STQMWFEESA-N 2 1 210.365 2.060 20 0 BEADMP CC[C@H](C)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335571546 136110047 /nfs/dbraw/zinc/11/00/47/136110047.db2.gz FLVRDMSGMPPFBC-STQMWFEESA-N 2 1 210.365 2.060 20 0 BEADMP C[NH2+][C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC000300829194 397778024 /nfs/dbraw/zinc/77/80/24/397778024.db2.gz HHOKXGAWKKQHKW-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP C[NH2+][C@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC000300829194 397778027 /nfs/dbraw/zinc/77/80/27/397778027.db2.gz HHOKXGAWKKQHKW-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@H](CC1CC1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121269 397801407 /nfs/dbraw/zinc/80/14/07/397801407.db2.gz SBWSGUJIOLOLOM-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)=CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000309101980 397850977 /nfs/dbraw/zinc/85/09/77/397850977.db2.gz GGCCJUQHYBKFPF-OLZOCXBDSA-N 2 1 210.365 2.415 20 0 BEADMP CSCC[C@H](C)[N@H+](C)C[C@H]([NH3+])CC(C)C ZINC000156887016 397928488 /nfs/dbraw/zinc/92/84/88/397928488.db2.gz INPGAKYWWZJVDG-NWDGAFQWSA-N 2 1 232.437 2.433 20 0 BEADMP CSCC[C@H](C)[N@@H+](C)C[C@H]([NH3+])CC(C)C ZINC000156887016 397928492 /nfs/dbraw/zinc/92/84/92/397928492.db2.gz INPGAKYWWZJVDG-NWDGAFQWSA-N 2 1 232.437 2.433 20 0 BEADMP Cc1sccc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000293143770 397940028 /nfs/dbraw/zinc/94/00/28/397940028.db2.gz DCQHQAYTHZKOEK-UHFFFAOYSA-N 2 1 236.384 2.408 20 0 BEADMP Cc1ccccc1C[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414817068 398044158 /nfs/dbraw/zinc/04/41/58/398044158.db2.gz ZAQGXJZABVVAMW-DOMZBBRYSA-N 2 1 232.371 2.253 20 0 BEADMP Cc1ccccc1C[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414817071 398044393 /nfs/dbraw/zinc/04/43/93/398044393.db2.gz ZAQGXJZABVVAMW-WFASDCNBSA-N 2 1 232.371 2.253 20 0 BEADMP CCCCOCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221679261 398046202 /nfs/dbraw/zinc/04/62/02/398046202.db2.gz WCAQOSVYICPHND-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC12CCCC2 ZINC000649657803 398025828 /nfs/dbraw/zinc/02/58/28/398025828.db2.gz NKFDPAZPMATBLH-CYBMUJFWSA-N 2 1 222.376 2.489 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC12CCCC2 ZINC000649657803 398025830 /nfs/dbraw/zinc/02/58/30/398025830.db2.gz NKFDPAZPMATBLH-CYBMUJFWSA-N 2 1 222.376 2.489 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC12CCCC2 ZINC000649657803 398025833 /nfs/dbraw/zinc/02/58/33/398025833.db2.gz NKFDPAZPMATBLH-CYBMUJFWSA-N 2 1 222.376 2.489 20 0 BEADMP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1[NH3+] ZINC000414763650 398028091 /nfs/dbraw/zinc/02/80/91/398028091.db2.gz NCCAJWVZKWSEBY-UQOMUDLDSA-N 2 1 230.355 2.069 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1[NH3+] ZINC000414763650 398028095 /nfs/dbraw/zinc/02/80/95/398028095.db2.gz NCCAJWVZKWSEBY-UQOMUDLDSA-N 2 1 230.355 2.069 20 0 BEADMP C(C1CCCC1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414777371 398035243 /nfs/dbraw/zinc/03/52/43/398035243.db2.gz IENQWQOEBYKJOS-HUUCEWRRSA-N 2 1 236.403 2.498 20 0 BEADMP Cc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1C ZINC000414798031 398041640 /nfs/dbraw/zinc/04/16/40/398041640.db2.gz IXLCEOBELQKXFW-CQSZACIVSA-N 2 1 218.344 2.130 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](CC2CCC2)C[C@H]1C[NH3+] ZINC000397321479 397976596 /nfs/dbraw/zinc/97/65/96/397976596.db2.gz SXUIMHBGRVDDCH-NTZNESFSSA-N 2 1 210.365 2.092 20 0 BEADMP Cc1ccoc1CN1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000272625690 397980337 /nfs/dbraw/zinc/98/03/37/397980337.db2.gz MNNJFUBWGPABCX-OLZOCXBDSA-N 2 1 234.343 2.114 20 0 BEADMP CC[C@H](C)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000093067128 398093992 /nfs/dbraw/zinc/09/39/92/398093992.db2.gz PSIWGHGJVWAULZ-NWDGAFQWSA-N 2 1 223.364 2.463 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(C2CCC2)CC1 ZINC000649810592 398117086 /nfs/dbraw/zinc/11/70/86/398117086.db2.gz RMLINMHRFILMCW-ZDUSSCGKSA-N 2 1 222.376 2.393 20 0 BEADMP CC[C@H](C)CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000246226617 398121242 /nfs/dbraw/zinc/12/12/42/398121242.db2.gz MAQTVCMDHXFMCT-XQQFMLRXSA-N 2 1 210.365 2.201 20 0 BEADMP CC[C@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC000246226617 398121245 /nfs/dbraw/zinc/12/12/45/398121245.db2.gz MAQTVCMDHXFMCT-XQQFMLRXSA-N 2 1 210.365 2.201 20 0 BEADMP CC[C@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC000246226617 398121247 /nfs/dbraw/zinc/12/12/47/398121247.db2.gz MAQTVCMDHXFMCT-XQQFMLRXSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000222912432 398125699 /nfs/dbraw/zinc/12/56/99/398125699.db2.gz LYUDDZXPUJVDET-QWRGUYRKSA-N 2 1 239.338 2.212 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(C)(C)OC)C1 ZINC000336691322 398132944 /nfs/dbraw/zinc/13/29/44/398132944.db2.gz GEIRANYNIYDJFM-CYBMUJFWSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(C)(C)OC)C1 ZINC000336691322 398132946 /nfs/dbraw/zinc/13/29/46/398132946.db2.gz GEIRANYNIYDJFM-CYBMUJFWSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(C)(C)OC)C1 ZINC000336691322 398132947 /nfs/dbraw/zinc/13/29/47/398132947.db2.gz GEIRANYNIYDJFM-CYBMUJFWSA-N 2 1 242.407 2.075 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)CCC[NH2+]1 ZINC000085610233 1172797779 /nfs/dbraw/zinc/79/77/79/1172797779.db2.gz ZGOZGLCLINOYQL-ZDUSSCGKSA-N 2 1 244.382 2.359 20 0 BEADMP C[C@H]1C[N@H+](Cc2ccc3c(c2)CCC3)CCC[NH2+]1 ZINC000085610233 1172797772 /nfs/dbraw/zinc/79/77/72/1172797772.db2.gz ZGOZGLCLINOYQL-ZDUSSCGKSA-N 2 1 244.382 2.359 20 0 BEADMP CC(C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000037480273 167101876 /nfs/dbraw/zinc/10/18/76/167101876.db2.gz AWKYYQYWSFEXRM-BETUJISGSA-N 2 1 212.381 2.352 20 0 BEADMP COc1ccc(C)cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000258926484 322879442 /nfs/dbraw/zinc/87/94/42/322879442.db2.gz GRXLMZWNXYCRKR-CYBMUJFWSA-N 2 1 248.370 2.093 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662275959 487529400 /nfs/dbraw/zinc/52/94/00/487529400.db2.gz GCYQUTIDUXRMPE-YOVYLDAJSA-N 2 1 222.376 2.009 20 0 BEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC1CC=CC1 ZINC000238559544 487586465 /nfs/dbraw/zinc/58/64/65/487586465.db2.gz IIVPGPJECHLTMJ-CYBMUJFWSA-N 2 1 208.349 2.156 20 0 BEADMP Cc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001651697437 1172977078 /nfs/dbraw/zinc/97/70/78/1172977078.db2.gz AACROSYEHBDTJL-ARFHVFGLSA-N 2 1 244.382 2.425 20 0 BEADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662265618 409563667 /nfs/dbraw/zinc/56/36/67/409563667.db2.gz SDGNNQZPKNRPBN-QMHWVQJVSA-N 2 1 248.414 2.497 20 0 BEADMP CO[C@@H](C[NH2+][C@@](C)(C[NH3+])C1CC1)c1ccccc1 ZINC000662248106 409545003 /nfs/dbraw/zinc/54/50/03/409545003.db2.gz TYELLBJKFCSHGR-GJZGRUSLSA-N 2 1 248.370 2.091 20 0 BEADMP FCC[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000662310138 409632497 /nfs/dbraw/zinc/63/24/97/409632497.db2.gz HNWZVAKUMNKLJA-CHWSQXEVSA-N 2 1 228.355 2.058 20 0 BEADMP C[C@@]1(F)CNCC[N@@H+](CCCC2CCC2)C1 ZINC000662274921 409586021 /nfs/dbraw/zinc/58/60/21/409586021.db2.gz YQVSVECXNWBPOG-CYBMUJFWSA-N 2 1 228.355 2.200 20 0 BEADMP C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000662278450 409598262 /nfs/dbraw/zinc/59/82/62/409598262.db2.gz XRUUNZCOWCLYMD-AWEZNQCLSA-N 2 1 222.376 2.252 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404324974 409840669 /nfs/dbraw/zinc/84/06/69/409840669.db2.gz UFVNWHBLXICAMD-YNEHKIRRSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H]1CSCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000069762544 410011987 /nfs/dbraw/zinc/01/19/87/410011987.db2.gz RNMVITPPDBEQQL-GFCCVEGCSA-N 2 1 242.432 2.204 20 0 BEADMP CC[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)CC1 ZINC000251725279 487613173 /nfs/dbraw/zinc/61/31/73/487613173.db2.gz KDPTYCOQBZDIDX-STQMWFEESA-N 2 1 210.365 2.108 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CCc1ccccc1 ZINC000663509440 410281096 /nfs/dbraw/zinc/28/10/96/410281096.db2.gz KMQSPQYLVPZLQX-STQMWFEESA-N 2 1 220.360 2.205 20 0 BEADMP C[NH2+]C1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000650702341 410330732 /nfs/dbraw/zinc/33/07/32/410330732.db2.gz COHAKFWZABIION-UHFFFAOYSA-N 2 1 244.382 2.359 20 0 BEADMP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1cccc2c1CCC2 ZINC000650702565 410333595 /nfs/dbraw/zinc/33/35/95/410333595.db2.gz LDKYHWJPUUKFLR-HNNXBMFYSA-N 2 1 244.382 2.489 20 0 BEADMP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1cccc2c1CCC2 ZINC000650702565 410333602 /nfs/dbraw/zinc/33/36/02/410333602.db2.gz LDKYHWJPUUKFLR-HNNXBMFYSA-N 2 1 244.382 2.489 20 0 BEADMP C[N@@H+](Cc1cccc2c1CCC2)C1CC([NH3+])C1 ZINC000650703889 410336040 /nfs/dbraw/zinc/33/60/40/410336040.db2.gz WTOYHWPNTOIEQT-UHFFFAOYSA-N 2 1 230.355 2.097 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1cccc2c1CCC2 ZINC000650703800 410336106 /nfs/dbraw/zinc/33/61/06/410336106.db2.gz RWLWGIQSZNTADQ-ZDUSSCGKSA-N 2 1 218.344 2.002 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000650711704 410340322 /nfs/dbraw/zinc/34/03/22/410340322.db2.gz AKWPUORCABKCGS-LPWJVIDDSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@H]([NH3+])[C@H]1C[N@H+](CC2CCCCCC2)CCO1 ZINC000132598126 410428712 /nfs/dbraw/zinc/42/87/12/410428712.db2.gz BMRUAPHXVLFIOS-GXTWGEPZSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CC2CCCCCC2)CCO1 ZINC000132598126 410428715 /nfs/dbraw/zinc/42/87/15/410428715.db2.gz BMRUAPHXVLFIOS-GXTWGEPZSA-N 2 1 240.391 2.005 20 0 BEADMP COc1ccsc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000653279944 410631804 /nfs/dbraw/zinc/63/18/04/410631804.db2.gz NAOINBHUVOAVRQ-UWVGGRQHSA-N 2 1 240.372 2.068 20 0 BEADMP COc1ccsc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000653279944 410631806 /nfs/dbraw/zinc/63/18/06/410631806.db2.gz NAOINBHUVOAVRQ-UWVGGRQHSA-N 2 1 240.372 2.068 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc2c1CCC2 ZINC000653280258 410633719 /nfs/dbraw/zinc/63/37/19/410633719.db2.gz JFYJTMZPIDYIJT-WFASDCNBSA-N 2 1 244.382 2.487 20 0 BEADMP C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000665266552 410738930 /nfs/dbraw/zinc/73/89/30/410738930.db2.gz FCYFZUNQTSKRIC-MXWKQRLJSA-N 2 1 232.318 2.152 20 0 BEADMP CC(C)C[N@@H+](CCC1CC[NH2+]CC1)C1CC1 ZINC000042559868 166956608 /nfs/dbraw/zinc/95/66/08/166956608.db2.gz TWQCNXOONCOXFI-UHFFFAOYSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+]C1CCc2ccccc2CC1 ZINC000665297448 410819956 /nfs/dbraw/zinc/81/99/56/410819956.db2.gz GAPQYIJRCSEAJA-LBPRGKRZSA-N 2 1 232.371 2.132 20 0 BEADMP CC(C)C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000019912957 167003649 /nfs/dbraw/zinc/00/36/49/167003649.db2.gz ASPYMTATKKHQCA-CYBMUJFWSA-N 2 1 212.381 2.497 20 0 BEADMP CC(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367617970 167012017 /nfs/dbraw/zinc/01/20/17/167012017.db2.gz NZQPVXUNUSVPPF-XQQFMLRXSA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)[NH2+]C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000108368572 167095000 /nfs/dbraw/zinc/09/50/00/167095000.db2.gz ACXKIJNYVCACOJ-CQSZACIVSA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000049900229 167121846 /nfs/dbraw/zinc/12/18/46/167121846.db2.gz WEPGLTLLRPVOBC-UHFFFAOYSA-N 2 1 248.370 2.017 20 0 BEADMP CC(C)OCCC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352504846 167213949 /nfs/dbraw/zinc/21/39/49/167213949.db2.gz VIJFQJJYCMVWCQ-CYBMUJFWSA-N 2 1 228.380 2.005 20 0 BEADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000374325889 167256438 /nfs/dbraw/zinc/25/64/38/167256438.db2.gz CYTZAOKQVUYKID-MCIONIFRSA-N 2 1 240.391 2.016 20 0 BEADMP CC(C)OC[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000337342706 167264212 /nfs/dbraw/zinc/26/42/12/167264212.db2.gz RLTBHSAIBJARSH-LBPRGKRZSA-N 2 1 240.391 2.016 20 0 BEADMP CC(C)[C@@H](C)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000051919021 167369202 /nfs/dbraw/zinc/36/92/02/167369202.db2.gz ILCLDUCLYHAHAE-OLZOCXBDSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)[C@@H]1CC1(C)C ZINC000397804449 410934283 /nfs/dbraw/zinc/93/42/83/410934283.db2.gz NBSVFRYNAWJRSG-SRVKXCTJSA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)(C)[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000108324138 411144312 /nfs/dbraw/zinc/14/43/12/411144312.db2.gz JWBAPILCSYUBKG-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccncc1 ZINC000651866457 411148177 /nfs/dbraw/zinc/14/81/77/411148177.db2.gz FOPAPNOIGXJJPH-UHFFFAOYSA-N 2 1 235.375 2.149 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccncc1 ZINC000651866457 411148178 /nfs/dbraw/zinc/14/81/78/411148178.db2.gz FOPAPNOIGXJJPH-UHFFFAOYSA-N 2 1 235.375 2.149 20 0 BEADMP CC(C)CC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000109279761 411149810 /nfs/dbraw/zinc/14/98/10/411149810.db2.gz PKVUPVBJRDBEKP-ZDUSSCGKSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000652221938 411175817 /nfs/dbraw/zinc/17/58/17/411175817.db2.gz AIQRZAKXYBCGJH-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C2(C3CCC3)CC2)CC[N@@H+]1C ZINC000652272816 411185253 /nfs/dbraw/zinc/18/52/53/411185253.db2.gz WVHGSLJDLUEMQR-AAEUAGOBSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C2(C3CCC3)CC2)CC[N@H+]1C ZINC000652272816 411185255 /nfs/dbraw/zinc/18/52/55/411185255.db2.gz WVHGSLJDLUEMQR-AAEUAGOBSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2(C3CCC3)CC2)CC[N@@H+]1C ZINC000652272819 411185730 /nfs/dbraw/zinc/18/57/30/411185730.db2.gz WVHGSLJDLUEMQR-YPMHNXCESA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2(C3CCC3)CC2)CC[N@H+]1C ZINC000652272819 411185733 /nfs/dbraw/zinc/18/57/33/411185733.db2.gz WVHGSLJDLUEMQR-YPMHNXCESA-N 2 1 222.376 2.391 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000309996327 411194404 /nfs/dbraw/zinc/19/44/04/411194404.db2.gz CFFQNSQPOZXMIB-OLZOCXBDSA-N 2 1 210.365 2.106 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000309996331 411194649 /nfs/dbraw/zinc/19/46/49/411194649.db2.gz CFFQNSQPOZXMIB-QWHCGFSZSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CC(CF)(CF)C1 ZINC000658019200 411200021 /nfs/dbraw/zinc/20/00/21/411200021.db2.gz KTGVJGJLKDQDJB-LLVKDONJSA-N 2 1 248.361 2.393 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CC(CF)(CF)C1 ZINC000658019200 411200023 /nfs/dbraw/zinc/20/00/23/411200023.db2.gz KTGVJGJLKDQDJB-LLVKDONJSA-N 2 1 248.361 2.393 20 0 BEADMP CC1([NH3+])CC[NH+](Cc2ccccc2F)CC1 ZINC000049818920 411245151 /nfs/dbraw/zinc/24/51/51/411245151.db2.gz AIUHOTHDUASZKL-UHFFFAOYSA-N 2 1 222.307 2.139 20 0 BEADMP CCOc1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1 ZINC000049836569 411246884 /nfs/dbraw/zinc/24/68/84/411246884.db2.gz MSGDXWDBDMZPKK-UHFFFAOYSA-N 2 1 248.370 2.399 20 0 BEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H](C)C1CC1 ZINC000422940452 411235029 /nfs/dbraw/zinc/23/50/29/411235029.db2.gz NICNIYODDGTYPX-HUBLWGQQSA-N 2 1 232.371 2.333 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)[C@H]1C ZINC000423193334 411238282 /nfs/dbraw/zinc/23/82/82/411238282.db2.gz XDRYRUBJHSLGIU-VNHYZAJKSA-N 2 1 247.386 2.195 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655710053 411262234 /nfs/dbraw/zinc/26/22/34/411262234.db2.gz ADXIIUKGINCUFU-ZYHUDNBSSA-N 2 1 239.388 2.065 20 0 BEADMP C[N@@H+](Cc1ccc(Cl)s1)C[C@H]1CC[NH2+]C1 ZINC000051889981 411284917 /nfs/dbraw/zinc/28/49/17/411284917.db2.gz ORQVVDFSIDIBOR-VIFPVBQESA-N 2 1 244.791 2.443 20 0 BEADMP C[N@H+](Cc1ccc(Cl)s1)C[C@H]1CC[NH2+]C1 ZINC000051889981 411284919 /nfs/dbraw/zinc/28/49/19/411284919.db2.gz ORQVVDFSIDIBOR-VIFPVBQESA-N 2 1 244.791 2.443 20 0 BEADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000051890108 411284982 /nfs/dbraw/zinc/28/49/82/411284982.db2.gz FKKGFYYKAWFZGY-TZMCWYRMSA-N 2 1 222.376 2.251 20 0 BEADMP CCC1CCC([N@@H+](C)C[C@H]2CC[NH2+]C2)CC1 ZINC000051889683 411285099 /nfs/dbraw/zinc/28/50/99/411285099.db2.gz OKSCAFOTVJMFSJ-MOKVOYLWSA-N 2 1 224.392 2.497 20 0 BEADMP CCCCC[N@@H+](C[C@H]1CC[NH2+]C1)C(C)C ZINC000051889788 411285375 /nfs/dbraw/zinc/28/53/75/411285375.db2.gz RTIZFLQHVGZQDV-ZDUSSCGKSA-N 2 1 212.381 2.497 20 0 BEADMP c1cc(CC[NH2+]C2CC[NH+](C3CC3)CC2)co1 ZINC000658201425 411291012 /nfs/dbraw/zinc/29/10/12/411291012.db2.gz SJTJMOYQYMJTIY-UHFFFAOYSA-N 2 1 234.343 2.039 20 0 BEADMP C[C@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1(F)F ZINC000658219211 411298781 /nfs/dbraw/zinc/29/87/81/411298781.db2.gz ALJLACYLWUZSFU-GFCCVEGCSA-N 2 1 244.329 2.248 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CC2CCCCC2)C1 ZINC000401784573 411330783 /nfs/dbraw/zinc/33/07/83/411330783.db2.gz YWAIDSPSSYKKGM-WCQYABFASA-N 2 1 210.365 2.154 20 0 BEADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000401785752 411330932 /nfs/dbraw/zinc/33/09/32/411330932.db2.gz ZOCHNTLNQALXFA-AAEUAGOBSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2CCCC[C@@H]2C)C1 ZINC000401786313 411330938 /nfs/dbraw/zinc/33/09/38/411330938.db2.gz ZTSXBUSTUVDUNS-RVMXOQNASA-N 2 1 210.365 2.153 20 0 BEADMP Cc1ccccc1CC[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000401763978 411323989 /nfs/dbraw/zinc/32/39/89/411323989.db2.gz FARFCSZMZQRLEE-WFASDCNBSA-N 2 1 232.371 2.125 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783359 411359910 /nfs/dbraw/zinc/35/99/10/411359910.db2.gz PWTFOTXWQBWWOT-BPLDGKMQSA-N 2 1 236.403 2.354 20 0 BEADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccn1 ZINC000314196474 411373300 /nfs/dbraw/zinc/37/33/00/411373300.db2.gz RYXJVBZCBZRPQE-LBPRGKRZSA-N 2 1 244.342 2.099 20 0 BEADMP CC(C)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786200 411365080 /nfs/dbraw/zinc/36/50/80/411365080.db2.gz PNFFLLYYRPBPCG-CQSZACIVSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)CC(C)(C)N ZINC000656786372 411365827 /nfs/dbraw/zinc/36/58/27/411365827.db2.gz XZEIDINGNHDUBB-VXGBXAGGSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H]1CCCC[C@@H]1CN(C)CC(C)(C)[NH3+] ZINC000656786372 411365831 /nfs/dbraw/zinc/36/58/31/411365831.db2.gz XZEIDINGNHDUBB-VXGBXAGGSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)C(C)(C)C ZINC000304503598 411369104 /nfs/dbraw/zinc/36/91/04/411369104.db2.gz IUPANPHFWVSSRW-TZMCWYRMSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)C(C)(C)C ZINC000304503594 411369395 /nfs/dbraw/zinc/36/93/95/411369395.db2.gz IUPANPHFWVSSRW-JSGCOSHPSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@]1(C[N@H+]2CCC[C@H](CCF)C2)CC[NH2+]C1 ZINC000656792227 411371563 /nfs/dbraw/zinc/37/15/63/411371563.db2.gz PUHYGXMZPWHWJN-CHWSQXEVSA-N 2 1 228.355 2.058 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCCc2ccco2)CC[N@H+]1C ZINC000658327777 411336178 /nfs/dbraw/zinc/33/61/78/411336178.db2.gz RKCPLCCSXOPDOO-CHWSQXEVSA-N 2 1 236.359 2.285 20 0 BEADMP C[C@@]1(C[N@H+]2CCC[C@@H](CCF)C2)CC[NH2+]C1 ZINC000656792230 411372244 /nfs/dbraw/zinc/37/22/44/411372244.db2.gz PUHYGXMZPWHWJN-QWHCGFSZSA-N 2 1 228.355 2.058 20 0 BEADMP CC(C)([NH3+])C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000656791831 411372393 /nfs/dbraw/zinc/37/23/93/411372393.db2.gz KTGBNDDBEBNDSF-ZDUSSCGKSA-N 2 1 240.391 2.005 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC=C(C)CC1 ZINC000284188965 168120098 /nfs/dbraw/zinc/12/00/98/168120098.db2.gz RLPDIPQUQVRSIL-ZDUSSCGKSA-N 2 1 219.332 2.280 20 0 BEADMP CCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000336772614 168282152 /nfs/dbraw/zinc/28/21/52/168282152.db2.gz YEGKBODKTPCFPA-NWDGAFQWSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]1CCC[N@@H+](Cc2cccnc2)[C@@H]1CC[NH3+] ZINC000404379092 411392892 /nfs/dbraw/zinc/39/28/92/411392892.db2.gz LOKHHMAWBSLIDR-TZMCWYRMSA-N 2 1 233.359 2.031 20 0 BEADMP Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cn1 ZINC000404431444 411396746 /nfs/dbraw/zinc/39/67/46/411396746.db2.gz OTYRJTZEUWDYRR-IUODEOHRSA-N 2 1 247.386 2.339 20 0 BEADMP CCc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)nc(C)[nH+]1 ZINC000382521976 411408660 /nfs/dbraw/zinc/40/86/60/411408660.db2.gz UCURXAQYTSDPKJ-CMPLNLGQSA-N 2 1 234.347 2.029 20 0 BEADMP CC[C@@H]1C[C@@H]([NH2+][C@@H](C)C[NH+](CC)CC)CCO1 ZINC000070360816 411409483 /nfs/dbraw/zinc/40/94/83/411409483.db2.gz VREOMMASCXLJPV-MELADBBJSA-N 2 1 242.407 2.264 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000070360812 411409579 /nfs/dbraw/zinc/40/95/79/411409579.db2.gz IVHYBZVNJBERCT-OLZOCXBDSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@H]1C[C@@H](C[N@@H+]2CCCC(F)(F)C2)CC[NH2+]1 ZINC000405044246 411414341 /nfs/dbraw/zinc/41/43/41/411414341.db2.gz YGFSZZYHBWYELC-QWRGUYRKSA-N 2 1 232.318 2.106 20 0 BEADMP C[C@H]1C[C@@H](C[N@H+]2CCCC(F)(F)C2)CC[NH2+]1 ZINC000405044246 411414344 /nfs/dbraw/zinc/41/43/44/411414344.db2.gz YGFSZZYHBWYELC-QWRGUYRKSA-N 2 1 232.318 2.106 20 0 BEADMP CC[C@@H]1C[N@H+]([C@@H](C)c2cccnc2)CC[C@@H]1[NH3+] ZINC000122245707 411425445 /nfs/dbraw/zinc/42/54/45/411425445.db2.gz ACGWYUHUTQFPIC-SCRDCRAPSA-N 2 1 233.359 2.202 20 0 BEADMP CC[C@@H]1C[N@@H+](Cc2ccccc2OC)CC[C@@H]1[NH3+] ZINC000122273631 411427089 /nfs/dbraw/zinc/42/70/89/411427089.db2.gz YQFJSYOITMWXLP-OCCSQVGLSA-N 2 1 248.370 2.254 20 0 BEADMP Cc1cc[nH+]c(N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000276996657 411443392 /nfs/dbraw/zinc/44/33/92/411443392.db2.gz HJJMPSATOHIQIC-ZDUSSCGKSA-N 2 1 233.359 2.311 20 0 BEADMP C[C@@H]([NH2+]Cc1cnc2n1CCC2)c1ccccn1 ZINC000657286606 411445605 /nfs/dbraw/zinc/44/56/05/411445605.db2.gz ANCQFUTXGPRFAA-LLVKDONJSA-N 2 1 242.326 2.075 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000414831446 411450053 /nfs/dbraw/zinc/45/00/53/411450053.db2.gz PKIIEYKZNITVCL-UONOGXRCSA-N 2 1 236.334 2.271 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)Cc2ccccn2)CC1 ZINC000655839009 411533361 /nfs/dbraw/zinc/53/33/61/411533361.db2.gz RUNDFSXYVJNYPQ-ZDUSSCGKSA-N 2 1 247.386 2.087 20 0 BEADMP CC(C)Oc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000415011674 411488130 /nfs/dbraw/zinc/48/81/30/411488130.db2.gz RFTWNRKVEVYCFG-NEPJUHHUSA-N 2 1 236.359 2.299 20 0 BEADMP CC(C)CCC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000309477739 411497786 /nfs/dbraw/zinc/49/77/86/411497786.db2.gz CKCRJCGGIRGTCG-CHWSQXEVSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000309477739 411497789 /nfs/dbraw/zinc/49/77/89/411497789.db2.gz CKCRJCGGIRGTCG-CHWSQXEVSA-N 2 1 210.365 2.106 20 0 BEADMP C[NH+]1CCC([NH2+]CC2CCC(F)(F)CC2)CC1 ZINC000334451731 411515827 /nfs/dbraw/zinc/51/58/27/411515827.db2.gz WUMBIVABQKJGIW-UHFFFAOYSA-N 2 1 246.345 2.496 20 0 BEADMP CC[NH+]1CCC([N@H+](C)CC2CC=CC2)CC1 ZINC000659983931 411518342 /nfs/dbraw/zinc/51/83/42/411518342.db2.gz YMAHYHONFBTFOG-UHFFFAOYSA-N 2 1 222.376 2.369 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)CC2CC=CC2)CC1 ZINC000659983931 411518345 /nfs/dbraw/zinc/51/83/45/411518345.db2.gz YMAHYHONFBTFOG-UHFFFAOYSA-N 2 1 222.376 2.369 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000659990229 411521156 /nfs/dbraw/zinc/52/11/56/411521156.db2.gz YYDFMZQWTGOARH-APIJFGDWSA-N 2 1 236.403 2.306 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000659990229 411521159 /nfs/dbraw/zinc/52/11/59/411521159.db2.gz YYDFMZQWTGOARH-APIJFGDWSA-N 2 1 236.403 2.306 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000659990229 411521162 /nfs/dbraw/zinc/52/11/62/411521162.db2.gz YYDFMZQWTGOARH-APIJFGDWSA-N 2 1 236.403 2.306 20 0 BEADMP Cc1ccoc1C[NH2+]Cc1cnc2n1CCC2 ZINC000657471762 411522941 /nfs/dbraw/zinc/52/29/41/411522941.db2.gz HQTZDOASZQFDGL-UHFFFAOYSA-N 2 1 231.299 2.021 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccncc2)C1 ZINC000037644020 170007620 /nfs/dbraw/zinc/00/76/20/170007620.db2.gz OJIFYRBJJVRVRB-STQMWFEESA-N 2 1 233.359 2.074 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCF)C[C@H]1C ZINC000361531318 170009230 /nfs/dbraw/zinc/00/92/30/170009230.db2.gz QMBOCIBSSPMMAH-VXGBXAGGSA-N 2 1 216.344 2.151 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)cc2)C1 ZINC000037643746 170008320 /nfs/dbraw/zinc/00/83/20/170008320.db2.gz HFYVBKZQCLMAQM-AWEZNQCLSA-N 2 1 248.370 2.127 20 0 BEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)o2)C1 ZINC000037484195 170008746 /nfs/dbraw/zinc/00/87/46/170008746.db2.gz VRDGISQYADBMAW-LBPRGKRZSA-N 2 1 222.332 2.019 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)o2)C1 ZINC000037484195 170008747 /nfs/dbraw/zinc/00/87/47/170008747.db2.gz VRDGISQYADBMAW-LBPRGKRZSA-N 2 1 222.332 2.019 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCF)C[C@H]1C ZINC000361531318 170009231 /nfs/dbraw/zinc/00/92/31/170009231.db2.gz QMBOCIBSSPMMAH-VXGBXAGGSA-N 2 1 216.344 2.151 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC2CC2)[C@H](C)C1 ZINC000336671499 170010011 /nfs/dbraw/zinc/01/00/11/170010011.db2.gz YULJXPKRASGVSH-TZMCWYRMSA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC2CC2)[C@H](C)C1 ZINC000336671499 170010012 /nfs/dbraw/zinc/01/00/12/170010012.db2.gz YULJXPKRASGVSH-TZMCWYRMSA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC2CC2)[C@H](C)C1 ZINC000336671499 170010013 /nfs/dbraw/zinc/01/00/13/170010013.db2.gz YULJXPKRASGVSH-TZMCWYRMSA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOC(C)C)C[C@@H]1C ZINC000336689379 170010238 /nfs/dbraw/zinc/01/02/38/170010238.db2.gz HMLXROQIFOBNGX-UONOGXRCSA-N 2 1 242.407 2.216 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOC(C)C)C[C@@H]1C ZINC000336689379 170010240 /nfs/dbraw/zinc/01/02/40/170010240.db2.gz HMLXROQIFOBNGX-UONOGXRCSA-N 2 1 242.407 2.216 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]C2CC(F)(F)C2)[C@H](C)C1 ZINC000309676850 170013169 /nfs/dbraw/zinc/01/31/69/170013169.db2.gz YBGGHOUPZHIMMU-MWLCHTKSSA-N 2 1 232.318 2.104 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]C2CC(C)(C)C2)C1 ZINC000336762605 170015573 /nfs/dbraw/zinc/01/55/73/170015573.db2.gz NZFPTAKRPMRMNC-LLVKDONJSA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C)o2)C1 ZINC000037484194 170015701 /nfs/dbraw/zinc/01/57/01/170015701.db2.gz VRDGISQYADBMAW-GFCCVEGCSA-N 2 1 222.332 2.019 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C)o2)C1 ZINC000037484194 170015702 /nfs/dbraw/zinc/01/57/02/170015702.db2.gz VRDGISQYADBMAW-GFCCVEGCSA-N 2 1 222.332 2.019 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CC2(C)C)C1 ZINC000309973734 170016597 /nfs/dbraw/zinc/01/65/97/170016597.db2.gz RESWJAKVCSRVCU-YNEHKIRRSA-N 2 1 224.392 2.352 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CC(C)C)C[C@@H]1C ZINC000336643812 170019638 /nfs/dbraw/zinc/01/96/38/170019638.db2.gz DSODZKHMPBFUQF-STQMWFEESA-N 2 1 212.381 2.447 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CC(C)C)C[C@@H]1C ZINC000336643812 170019637 /nfs/dbraw/zinc/01/96/37/170019637.db2.gz DSODZKHMPBFUQF-STQMWFEESA-N 2 1 212.381 2.447 20 0 BEADMP CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000037241608 170108791 /nfs/dbraw/zinc/10/87/91/170108791.db2.gz QNDWWACZAPBELZ-UHFFFAOYSA-N 2 1 232.371 2.303 20 0 BEADMP CC[NH2+]CC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000042302681 170113999 /nfs/dbraw/zinc/11/39/99/170113999.db2.gz GIKOPQSOMMGUJO-OLZOCXBDSA-N 2 1 210.365 2.251 20 0 BEADMP CC[NH2+]CC[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000042302681 170114001 /nfs/dbraw/zinc/11/40/01/170114001.db2.gz GIKOPQSOMMGUJO-OLZOCXBDSA-N 2 1 210.365 2.251 20 0 BEADMP c1coc(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000657781638 411597268 /nfs/dbraw/zinc/59/72/68/411597268.db2.gz FOAJYVQJXKACJN-KBPBESRZSA-N 2 1 248.370 2.429 20 0 BEADMP C[C@H]([NH2+]CCC[NH+](C)C)c1cc2cnccc2o1 ZINC000657814867 411604359 /nfs/dbraw/zinc/60/43/59/411604359.db2.gz AEUMCVOEBCRPOW-NSHDSACASA-N 2 1 247.342 2.430 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCSCC1 ZINC000657863437 411613441 /nfs/dbraw/zinc/61/34/41/411613441.db2.gz ITRMKPJYGXPFND-LBPRGKRZSA-N 2 1 239.388 2.067 20 0 BEADMP CC[C@@H](C)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654956 411613600 /nfs/dbraw/zinc/61/36/00/411613600.db2.gz DGUNANXNJUXBCR-ZIAGYGMSSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@@H](C)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654956 411613601 /nfs/dbraw/zinc/61/36/01/411613601.db2.gz DGUNANXNJUXBCR-ZIAGYGMSSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@@H](C)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654956 411613602 /nfs/dbraw/zinc/61/36/02/411613602.db2.gz DGUNANXNJUXBCR-ZIAGYGMSSA-N 2 1 224.392 2.450 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCSCC2)C1 ZINC000657875878 411615169 /nfs/dbraw/zinc/61/51/69/411615169.db2.gz IOJCBXXMDKMEIV-CHWSQXEVSA-N 2 1 242.432 2.204 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657875877 411615387 /nfs/dbraw/zinc/61/53/87/411615387.db2.gz IODHSKAWOIWAGI-NSHDSACASA-N 2 1 246.345 2.006 20 0 BEADMP CC[N@H+]1CCC[C@@H](Nc2[nH+]ccc3[nH]ccc32)C1 ZINC000663415801 411653198 /nfs/dbraw/zinc/65/31/98/411653198.db2.gz ROYZXAJGJIZGNE-LLVKDONJSA-N 2 1 244.342 2.459 20 0 BEADMP C[C@H]1C[C@H](Nc2[nH+]ccc3[nH]ccc32)CC[N@H+]1C ZINC000663661912 411716913 /nfs/dbraw/zinc/71/69/13/411716913.db2.gz SJPBDBIHJHHKHK-WDEREUQCSA-N 2 1 244.342 2.458 20 0 BEADMP CC1CC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663466385 411666318 /nfs/dbraw/zinc/66/63/18/411666318.db2.gz SCDYGVWMVNZYHT-BLZCZZARSA-N 2 1 236.403 2.497 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000663510012 411693575 /nfs/dbraw/zinc/69/35/75/411693575.db2.gz NRQSUPVOZHSFNO-KBPBESRZSA-N 2 1 234.387 2.453 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+]C[C@H](C)CCc1ccccc1 ZINC000663510015 411693736 /nfs/dbraw/zinc/69/37/36/411693736.db2.gz NRQSUPVOZHSFNO-ZIAGYGMSSA-N 2 1 234.387 2.453 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000663513777 411694452 /nfs/dbraw/zinc/69/44/52/411694452.db2.gz MHZAVKDDWITFJG-WDEREUQCSA-N 2 1 224.323 2.127 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000663514763 411694695 /nfs/dbraw/zinc/69/46/95/411694695.db2.gz SUETUBSAYQSNEW-GRYCIOLGSA-N 2 1 212.381 2.399 20 0 BEADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@H]2CC2(C)C)CC[NH2+]1 ZINC000663513124 411694866 /nfs/dbraw/zinc/69/48/66/411694866.db2.gz ILZBCPUDLDCFSU-JHJVBQTASA-N 2 1 224.392 2.352 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000663514421 411695285 /nfs/dbraw/zinc/69/52/85/411695285.db2.gz RDVJRGKGZYDHCF-MYZSUADSSA-N 2 1 232.371 2.376 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CCc1ccsc1 ZINC000663514978 411696501 /nfs/dbraw/zinc/69/65/01/411696501.db2.gz XKENRVIVYYRBML-QWRGUYRKSA-N 2 1 226.389 2.267 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)CCc1ccsc1 ZINC000663514977 411697348 /nfs/dbraw/zinc/69/73/48/411697348.db2.gz XKENRVIVYYRBML-MNOVXSKESA-N 2 1 226.389 2.267 20 0 BEADMP Cc1nc(NCC[C@H](C)[NH+](C)C)c(C)c(C)[nH+]1 ZINC000664244308 411896719 /nfs/dbraw/zinc/89/67/19/411896719.db2.gz QZGCPTLINWVSFK-VIFPVBQESA-N 2 1 236.363 2.154 20 0 BEADMP C[C@H](CCNc1[nH+]c2ccccc2n1C)[NH+](C)C ZINC000664245143 411897297 /nfs/dbraw/zinc/89/72/97/411897297.db2.gz XRFORIGKTZVREP-LLVKDONJSA-N 2 1 246.358 2.325 20 0 BEADMP CC[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](C)CC1 ZINC000309498760 170814995 /nfs/dbraw/zinc/81/49/95/170814995.db2.gz ZEEMCFUUVZBVNF-VIFPVBQESA-N 2 1 238.297 2.401 20 0 BEADMP C(C[NH+]1CCCCC1)C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661967160 411924046 /nfs/dbraw/zinc/92/40/46/411924046.db2.gz CDCKGPWMMAJREF-ZIAGYGMSSA-N 2 1 222.376 2.204 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000661966896 411924106 /nfs/dbraw/zinc/92/41/06/411924106.db2.gz AMHJFAFQSWOGRB-STQMWFEESA-N 2 1 210.365 2.060 20 0 BEADMP C(CC[N@H+]1CC[C@@H]2C[C@@H]2C1)C[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000661969474 411926667 /nfs/dbraw/zinc/92/66/67/411926667.db2.gz JNOFWTSCLDFUBB-KLHDSHLOSA-N 2 1 248.414 2.450 20 0 BEADMP C(C[NH+]1CC[C@@H]2C[C@@H]2C1)C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661972372 411928711 /nfs/dbraw/zinc/92/87/11/411928711.db2.gz PVDFFOAKOJUVTO-KBUPBQIOSA-N 2 1 234.387 2.060 20 0 BEADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCC1(O)CCC1 ZINC000662176674 412017687 /nfs/dbraw/zinc/01/76/87/412017687.db2.gz DOKKGQXGWJRSBW-UHFFFAOYSA-N 2 1 242.407 2.002 20 0 BEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCC1(O)CCC1 ZINC000662176674 412017690 /nfs/dbraw/zinc/01/76/90/412017690.db2.gz DOKKGQXGWJRSBW-UHFFFAOYSA-N 2 1 242.407 2.002 20 0 BEADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC[NH2+]CC1 ZINC000662230380 412031618 /nfs/dbraw/zinc/03/16/18/412031618.db2.gz XLOQQJWEVFYIPY-QXMXGUDHSA-N 2 1 222.376 2.249 20 0 BEADMP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043326373 170968595 /nfs/dbraw/zinc/96/85/95/170968595.db2.gz LNYMFBWFLGQALI-UPJWGTAASA-N 2 1 210.365 2.297 20 0 BEADMP C[N@@H+](CCCC1CCC1)CC(C)(C)C[NH3+] ZINC000662247810 412037030 /nfs/dbraw/zinc/03/70/30/412037030.db2.gz LOINIDNCFLGFCD-UHFFFAOYSA-N 2 1 212.381 2.483 20 0 BEADMP CC1(C)CCCC[C@H]1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000662241261 412037599 /nfs/dbraw/zinc/03/75/99/412037599.db2.gz RKSPBIZNHRNFOA-NWDGAFQWSA-N 2 1 210.365 2.236 20 0 BEADMP CC1(C)CCCC[C@H]1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000662241261 412037603 /nfs/dbraw/zinc/03/76/03/412037603.db2.gz RKSPBIZNHRNFOA-NWDGAFQWSA-N 2 1 210.365 2.236 20 0 BEADMP CC(C)=CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000662245760 412042999 /nfs/dbraw/zinc/04/29/99/412042999.db2.gz OKZXUSFQLABCMR-OLZOCXBDSA-N 2 1 210.365 2.402 20 0 BEADMP CC[C@H](C[NH2+][C@@](C)(C[NH3+])C1CC1)CC(F)F ZINC000662247380 412044808 /nfs/dbraw/zinc/04/48/08/412044808.db2.gz GCZDTGSTWVJVHR-CABZTGNLSA-N 2 1 234.334 2.385 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC1CC=CC1 ZINC000662247808 412044883 /nfs/dbraw/zinc/04/48/83/412044883.db2.gz LOCKZNMTLZBEJZ-CYBMUJFWSA-N 2 1 210.365 2.258 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC000662264169 412055405 /nfs/dbraw/zinc/05/54/05/412055405.db2.gz BOJURTKJJYKZCB-YPMHNXCESA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000308937988 171043260 /nfs/dbraw/zinc/04/32/60/171043260.db2.gz LKKPIDGUGLGYST-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000308937990 171043883 /nfs/dbraw/zinc/04/38/83/171043883.db2.gz LKKPIDGUGLGYST-XQQFMLRXSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000310018931 171044145 /nfs/dbraw/zinc/04/41/45/171044145.db2.gz MGCCUOQCNXHRPB-BZPMIXESSA-N 2 1 222.376 2.249 20 0 BEADMP CC[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCS1 ZINC000133091297 171079466 /nfs/dbraw/zinc/07/94/66/171079466.db2.gz BFBVNEIQXHMTOT-CYBMUJFWSA-N 2 1 242.432 2.204 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000662274738 412067944 /nfs/dbraw/zinc/06/79/44/412067944.db2.gz WPSLGAKCNXRNBY-CHWSQXEVSA-N 2 1 208.349 2.027 20 0 BEADMP C1=CCC(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)C1 ZINC000662276494 412069939 /nfs/dbraw/zinc/06/99/39/412069939.db2.gz NMMNFJQUMUFXIO-GJZGRUSLSA-N 2 1 234.387 2.417 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](CC2CC=CC2)C[C@H]1C[NH3+] ZINC000662281971 412073368 /nfs/dbraw/zinc/07/33/68/412073368.db2.gz AHOSPJDAPAEIIT-MBNYWOFBSA-N 2 1 222.376 2.258 20 0 BEADMP C[C@H]1CC2(C[N@H+]1CC1CC=CC1)CC[NH2+]CC2 ZINC000662284159 412075358 /nfs/dbraw/zinc/07/53/58/412075358.db2.gz UCZNMXIHDNUVPW-ZDUSSCGKSA-N 2 1 234.387 2.417 20 0 BEADMP C[C@@H]1CC2(C[N@H+]1C[C@@H]1C[C@H]3C[C@H]3C1)CC[NH2+]CC2 ZINC000662283043 412076084 /nfs/dbraw/zinc/07/60/84/412076084.db2.gz KCCMLSMJAFGMHN-APIJFGDWSA-N 2 1 248.414 2.497 20 0 BEADMP CC[C@H](C)C[N@@H+]1C[C@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000310266581 171282772 /nfs/dbraw/zinc/28/27/72/171282772.db2.gz FNVWSFIDWPQVGF-QEJZJMRPSA-N 2 1 232.371 2.459 20 0 BEADMP CC[C@H](C)C[N@H+]1C[C@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000310266581 171282774 /nfs/dbraw/zinc/28/27/74/171282774.db2.gz FNVWSFIDWPQVGF-QEJZJMRPSA-N 2 1 232.371 2.459 20 0 BEADMP CC[C@H](C)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334217508 171282816 /nfs/dbraw/zinc/28/28/16/171282816.db2.gz HGCXOSIFIKYVRS-UONOGXRCSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@H](C)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334217508 171282818 /nfs/dbraw/zinc/28/28/18/171282818.db2.gz HGCXOSIFIKYVRS-UONOGXRCSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@H](C)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000334217508 171282820 /nfs/dbraw/zinc/28/28/20/171282820.db2.gz HGCXOSIFIKYVRS-UONOGXRCSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@H](C)C[NH2+]CCCn1cc[nH+]c1C ZINC000271746505 171284551 /nfs/dbraw/zinc/28/45/51/171284551.db2.gz YDNSEVDKRLAPPU-NSHDSACASA-N 2 1 209.337 2.217 20 0 BEADMP CO[C@@H](C[N@H+](C)CC(C)(C)[NH3+])C1CCCCC1 ZINC000662296141 412083589 /nfs/dbraw/zinc/08/35/89/412083589.db2.gz WIDPYKIRMZDOFI-ZDUSSCGKSA-N 2 1 242.407 2.251 20 0 BEADMP CO[C@@H](C[N@@H+](C)CC(C)(C)[NH3+])C1CCCCC1 ZINC000662296141 412083592 /nfs/dbraw/zinc/08/35/92/412083592.db2.gz WIDPYKIRMZDOFI-ZDUSSCGKSA-N 2 1 242.407 2.251 20 0 BEADMP C[N@@H+](CCC(C)(C)C1CC1)CC(C)(C)[NH3+] ZINC000662296200 412083930 /nfs/dbraw/zinc/08/39/30/412083930.db2.gz XPWLGBPVGXHLRU-UHFFFAOYSA-N 2 1 212.381 2.482 20 0 BEADMP Cc1cccc(C)c1[C@H]1CCC[N@@H+]1CC[NH3+] ZINC000662296069 412084132 /nfs/dbraw/zinc/08/41/32/412084132.db2.gz PXFROGDTKDXNKR-CYBMUJFWSA-N 2 1 218.344 2.399 20 0 BEADMP Cc1cccc(C)c1[C@H]1CCC[N@H+]1CC[NH3+] ZINC000662296069 412084136 /nfs/dbraw/zinc/08/41/36/412084136.db2.gz PXFROGDTKDXNKR-CYBMUJFWSA-N 2 1 218.344 2.399 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@H]1CCSC1 ZINC000300372066 171305800 /nfs/dbraw/zinc/30/58/00/171305800.db2.gz WLPXTJQLXJJSBC-NWDGAFQWSA-N 2 1 230.421 2.059 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@H]1CCSC1 ZINC000300372066 171305801 /nfs/dbraw/zinc/30/58/01/171305801.db2.gz WLPXTJQLXJJSBC-NWDGAFQWSA-N 2 1 230.421 2.059 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000356874471 171307543 /nfs/dbraw/zinc/30/75/43/171307543.db2.gz QHGNSYVKSLVJDV-MJBXVCDLSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000356874471 171307545 /nfs/dbraw/zinc/30/75/45/171307545.db2.gz QHGNSYVKSLVJDV-MJBXVCDLSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000337256634 171319619 /nfs/dbraw/zinc/31/96/19/171319619.db2.gz SMVXTMXOIQISSJ-JSGCOSHPSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000337256634 171319620 /nfs/dbraw/zinc/31/96/20/171319620.db2.gz SMVXTMXOIQISSJ-JSGCOSHPSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000337256634 171319622 /nfs/dbraw/zinc/31/96/22/171319622.db2.gz SMVXTMXOIQISSJ-JSGCOSHPSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@H](C)[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000337260810 171320483 /nfs/dbraw/zinc/32/04/83/171320483.db2.gz XKODXWDSCRPPTK-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP CC[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000167307553 171340953 /nfs/dbraw/zinc/34/09/53/171340953.db2.gz DMQWULWDXFDCLB-QWRGUYRKSA-N 2 1 209.337 2.216 20 0 BEADMP CC[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000336747541 171344180 /nfs/dbraw/zinc/34/41/80/171344180.db2.gz BYJZMLXFUHNVLC-VIFPVBQESA-N 2 1 227.377 2.093 20 0 BEADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000662305438 412090613 /nfs/dbraw/zinc/09/06/13/412090613.db2.gz HPXQXOMYECBDKN-HIFRSBDPSA-N 2 1 236.403 2.498 20 0 BEADMP [NH3+]CC12CC(C1)C[N@H+]2[C@H]1CCCc2ccccc21 ZINC000662308142 412092487 /nfs/dbraw/zinc/09/24/87/412092487.db2.gz XAFKOZOQNQDIRS-NRAUKZCXSA-N 2 1 242.366 2.487 20 0 BEADMP c1cc2c(cc1C[N@H+]1CC[C@H]3C[C@H]3C1)C[NH2+]CC2 ZINC000662316002 412095772 /nfs/dbraw/zinc/09/57/72/412095772.db2.gz TZIIWYGXEYOSEH-HOCLYGCPSA-N 2 1 242.366 2.174 20 0 BEADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000662319059 412099341 /nfs/dbraw/zinc/09/93/41/412099341.db2.gz JVDPYRKMNCCBGD-PBNFFQIGSA-N 2 1 222.376 2.249 20 0 BEADMP CCCCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321737 412099641 /nfs/dbraw/zinc/09/96/41/412099641.db2.gz SJGSNOKSMGHTRH-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP CCCCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321733 412100845 /nfs/dbraw/zinc/10/08/45/412100845.db2.gz SJGSNOKSMGHTRH-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@H]1CC1(C)C ZINC000662331576 412104353 /nfs/dbraw/zinc/10/43/53/412104353.db2.gz NRLNLXGRGYMEPO-CHWSQXEVSA-N 2 1 224.392 2.354 20 0 BEADMP Cn1c[nH+]cc1CCC[N@H+](C)C[C@H]1CC1(C)C ZINC000662345474 412114067 /nfs/dbraw/zinc/11/40/67/412114067.db2.gz ZAEQYYROWHQWET-GFCCVEGCSA-N 2 1 235.375 2.331 20 0 BEADMP Cn1c[nH+]cc1CCC[N@@H+](C)C[C@H]1CC1(C)C ZINC000662345474 412114069 /nfs/dbraw/zinc/11/40/69/412114069.db2.gz ZAEQYYROWHQWET-GFCCVEGCSA-N 2 1 235.375 2.331 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000665237451 412179091 /nfs/dbraw/zinc/17/90/91/412179091.db2.gz BGPPMHDJBOWDSY-OLZOCXBDSA-N 2 1 230.311 2.402 20 0 BEADMP Cc1cc(C)cc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000665245470 412188734 /nfs/dbraw/zinc/18/87/34/412188734.db2.gz JSAVNBIJPHQENB-KBPBESRZSA-N 2 1 218.344 2.273 20 0 BEADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccncc1 ZINC000665248226 412192232 /nfs/dbraw/zinc/19/22/32/412192232.db2.gz SETJXOPAQORKKH-LLVKDONJSA-N 2 1 219.332 2.004 20 0 BEADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cccnc1 ZINC000665247395 412192548 /nfs/dbraw/zinc/19/25/48/412192548.db2.gz AOADPHPBUGNUCI-LLVKDONJSA-N 2 1 219.332 2.004 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1c[nH+]ccc1N ZINC000665264597 412207270 /nfs/dbraw/zinc/20/72/70/412207270.db2.gz DGKXGNLWJLTTRR-WOPDTQHZSA-N 2 1 249.358 2.102 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)[C@@H]1CCCC[NH2+]1 ZINC000665264669 412207985 /nfs/dbraw/zinc/20/79/85/412207985.db2.gz FUDDMIOWWIUZMM-RFGFWPKPSA-N 2 1 240.391 2.064 20 0 BEADMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccccn1 ZINC000665232057 412169777 /nfs/dbraw/zinc/16/97/77/412169777.db2.gz FCPINYRHYBEMNR-YDHLFZDLSA-N 2 1 247.386 2.305 20 0 BEADMP C[C@H]([NH2+]CC1=CCCC1)[C@H]1CCCC[NH2+]1 ZINC000665274255 412217580 /nfs/dbraw/zinc/21/75/80/412217580.db2.gz MJHIXKUQJQCOOY-WCQYABFASA-N 2 1 208.349 2.217 20 0 BEADMP Cc1cccc2c1CC[C@@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277036 412218747 /nfs/dbraw/zinc/21/87/47/412218747.db2.gz RLHUIWYUZAYQKS-NRAUKZCXSA-N 2 1 242.366 2.324 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1C[C@H](OCC(C)C)C1(C)C ZINC000665295814 412242440 /nfs/dbraw/zinc/24/24/40/412242440.db2.gz JSOVSBXYIQMDGE-XQQFMLRXSA-N 2 1 242.407 2.024 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000665298172 412246298 /nfs/dbraw/zinc/24/62/98/412246298.db2.gz TTYKYUPHKOJQDA-UXOAXIEHSA-N 2 1 232.371 2.376 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCC2(C)C)CC1 ZINC000309667604 172978520 /nfs/dbraw/zinc/97/85/20/172978520.db2.gz UUUFMVHXPAFKMH-ZDUSSCGKSA-N 2 1 222.376 2.417 20 0 BEADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@@H]1CCOC1(C)C ZINC000328278708 173006756 /nfs/dbraw/zinc/00/67/56/173006756.db2.gz YSBNICBXVQCCNC-QWHCGFSZSA-N 2 1 240.391 2.018 20 0 BEADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCCF)C2)C1 ZINC000339441117 173039263 /nfs/dbraw/zinc/03/92/63/173039263.db2.gz OSHQBIGKXWBNBW-CYBMUJFWSA-N 2 1 228.355 2.154 20 0 BEADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCCF)C2)C1 ZINC000339441117 173039265 /nfs/dbraw/zinc/03/92/65/173039265.db2.gz OSHQBIGKXWBNBW-CYBMUJFWSA-N 2 1 228.355 2.154 20 0 BEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCCF)C2)C1 ZINC000339441117 173039267 /nfs/dbraw/zinc/03/92/67/173039267.db2.gz OSHQBIGKXWBNBW-CYBMUJFWSA-N 2 1 228.355 2.154 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC12CCC2 ZINC000336555780 173051433 /nfs/dbraw/zinc/05/14/33/173051433.db2.gz UYCDBVHCCUTNIO-LBPRGKRZSA-N 2 1 208.349 2.099 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC12CCC2 ZINC000336555780 173051436 /nfs/dbraw/zinc/05/14/36/173051436.db2.gz UYCDBVHCCUTNIO-LBPRGKRZSA-N 2 1 208.349 2.099 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC12CCC2 ZINC000336555780 173051437 /nfs/dbraw/zinc/05/14/37/173051437.db2.gz UYCDBVHCCUTNIO-LBPRGKRZSA-N 2 1 208.349 2.099 20 0 BEADMP C[N@H+]1CCC[C@H]2C[NH+](CCCCF)CC[C@H]21 ZINC000367158590 173058391 /nfs/dbraw/zinc/05/83/91/173058391.db2.gz TVEVJMHEDBUNRN-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@H+](CCCCF)CC[C@H]21 ZINC000367158590 173058392 /nfs/dbraw/zinc/05/83/92/173058392.db2.gz TVEVJMHEDBUNRN-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCCF)CC[C@H]21 ZINC000367158590 173058395 /nfs/dbraw/zinc/05/83/95/173058395.db2.gz TVEVJMHEDBUNRN-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCC2CC2)[C@@H]2CCC[C@H]21 ZINC000309436394 173152396 /nfs/dbraw/zinc/15/23/96/173152396.db2.gz HHYVFKQGGPIPQI-MELADBBJSA-N 2 1 222.376 2.249 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C)[C@H]2CCC[C@@H]21 ZINC000368600178 173152580 /nfs/dbraw/zinc/15/25/80/173152580.db2.gz AYLGWYYKZBCPIR-AGIUHOORSA-N 2 1 224.392 2.495 20 0 BEADMP C[N@H+]1CC[C@]2(CC[NH+](CCc3ccccc3)C2)C1 ZINC000292206511 173167353 /nfs/dbraw/zinc/16/73/53/173167353.db2.gz SSLSTGICNMTMTP-INIZCTEOSA-N 2 1 244.382 2.257 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@H+](CCc3ccccc3)C2)C1 ZINC000292206511 173167355 /nfs/dbraw/zinc/16/73/55/173167355.db2.gz SSLSTGICNMTMTP-INIZCTEOSA-N 2 1 244.382 2.257 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000292206511 173167357 /nfs/dbraw/zinc/16/73/57/173167357.db2.gz SSLSTGICNMTMTP-INIZCTEOSA-N 2 1 244.382 2.257 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000300989067 173345629 /nfs/dbraw/zinc/34/56/29/173345629.db2.gz TXHXXKHPIAEEBX-LLVKDONJSA-N 2 1 234.334 2.353 20 0 BEADMP C[NH2+]CCC[N@H+](C)Cc1ccc(OC)c(C)c1 ZINC000124754081 173346195 /nfs/dbraw/zinc/34/61/95/173346195.db2.gz PLCQXMVWUHYQGW-UHFFFAOYSA-N 2 1 236.359 2.045 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OC)c(C)c1 ZINC000124754081 173346196 /nfs/dbraw/zinc/34/61/96/173346196.db2.gz PLCQXMVWUHYQGW-UHFFFAOYSA-N 2 1 236.359 2.045 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000300989068 173346566 /nfs/dbraw/zinc/34/65/66/173346566.db2.gz TXHXXKHPIAEEBX-NSHDSACASA-N 2 1 234.334 2.353 20 0 BEADMP C[NH2+]CCC[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000042409654 173346742 /nfs/dbraw/zinc/34/67/42/173346742.db2.gz QFWJZBGJOJTABE-CHWSQXEVSA-N 2 1 210.365 2.108 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045086632 173346837 /nfs/dbraw/zinc/34/68/37/173346837.db2.gz REEPJCOEBWXTEO-CYBMUJFWSA-N 2 1 210.365 2.251 20 0 BEADMP C[NH2+]CCC[N@H+](Cc1cccs1)C1CC1 ZINC000042516769 173347500 /nfs/dbraw/zinc/34/75/00/173347500.db2.gz UXVLAWSOMXEQDU-UHFFFAOYSA-N 2 1 224.373 2.322 20 0 BEADMP C[NH2+]CCC[N@@H+](Cc1cccs1)C1CC1 ZINC000042516769 173347502 /nfs/dbraw/zinc/34/75/02/173347502.db2.gz UXVLAWSOMXEQDU-UHFFFAOYSA-N 2 1 224.373 2.322 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000251534212 173370617 /nfs/dbraw/zinc/37/06/17/173370617.db2.gz NGRKENWEZCUZFI-NEPJUHHUSA-N 2 1 236.334 2.428 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000251534212 173370618 /nfs/dbraw/zinc/37/06/18/173370618.db2.gz NGRKENWEZCUZFI-NEPJUHHUSA-N 2 1 236.334 2.428 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000336578218 173370863 /nfs/dbraw/zinc/37/08/63/173370863.db2.gz XWAMORDMIVXZQN-NHYWBVRUSA-N 2 1 248.345 2.354 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC000300965183 173370870 /nfs/dbraw/zinc/37/08/70/173370870.db2.gz RLIJABTYJGVGLW-OLZOCXBDSA-N 2 1 212.381 2.210 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC000011891904 173370931 /nfs/dbraw/zinc/37/09/31/173370931.db2.gz CGHVQMJPGMGXRG-AWEZNQCLSA-N 2 1 218.344 2.036 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(C)c(F)c2)C1 ZINC000110978844 173371114 /nfs/dbraw/zinc/37/11/14/173371114.db2.gz IENGSFPAFNKZKS-ZDUSSCGKSA-N 2 1 236.334 2.175 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C)c(F)c2)C1 ZINC000110978844 173371115 /nfs/dbraw/zinc/37/11/15/173371115.db2.gz IENGSFPAFNKZKS-ZDUSSCGKSA-N 2 1 236.334 2.175 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)c2cccnc2)C1 ZINC000040592529 173378563 /nfs/dbraw/zinc/37/85/63/173378563.db2.gz ONBGGHIHXWUELJ-CHWSQXEVSA-N 2 1 233.359 2.074 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2cccnc2)C1 ZINC000040592529 173378564 /nfs/dbraw/zinc/37/85/64/173378564.db2.gz ONBGGHIHXWUELJ-CHWSQXEVSA-N 2 1 233.359 2.074 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000040591992 173378737 /nfs/dbraw/zinc/37/87/37/173378737.db2.gz YRFGKZSQVUEHAU-LLVKDONJSA-N 2 1 224.373 2.180 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000040591992 173378739 /nfs/dbraw/zinc/37/87/39/173378739.db2.gz YRFGKZSQVUEHAU-LLVKDONJSA-N 2 1 224.373 2.180 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(F)c(C)c2)C1 ZINC000071142506 173381362 /nfs/dbraw/zinc/38/13/62/173381362.db2.gz UBTHDBWDBBJRFW-CYBMUJFWSA-N 2 1 236.334 2.175 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(F)c(C)c2)C1 ZINC000071142506 173381363 /nfs/dbraw/zinc/38/13/63/173381363.db2.gz UBTHDBWDBBJRFW-CYBMUJFWSA-N 2 1 236.334 2.175 20 0 BEADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1 ZINC000336655243 174003534 /nfs/dbraw/zinc/00/35/34/174003534.db2.gz JCVRGXFDFNAUSM-CHWSQXEVSA-N 2 1 240.391 2.018 20 0 BEADMP COCCCCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365405607 174178886 /nfs/dbraw/zinc/17/88/86/174178886.db2.gz TUSFMYPETDQRGB-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP COCCCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000122694875 174184724 /nfs/dbraw/zinc/18/47/24/174184724.db2.gz YZQSYCIJLHGKED-MGPQQGTHSA-N 2 1 242.407 2.121 20 0 BEADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000090720845 175111963 /nfs/dbraw/zinc/11/19/63/175111963.db2.gz ZEPDVHIRKNEXMG-JSGCOSHPSA-N 2 1 248.370 2.268 20 0 BEADMP COc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1 ZINC000076693013 175267128 /nfs/dbraw/zinc/26/71/28/175267128.db2.gz PNNMPOVYVRWWHT-CQSZACIVSA-N 2 1 248.370 2.269 20 0 BEADMP COc1ccccc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070074069 175326632 /nfs/dbraw/zinc/32/66/32/175326632.db2.gz WETASUQCQJWPHM-CQSZACIVSA-N 2 1 248.370 2.399 20 0 BEADMP COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000132004347 175352231 /nfs/dbraw/zinc/35/22/31/175352231.db2.gz ALKKSQUCKUJSKD-QWHCGFSZSA-N 2 1 248.370 2.345 20 0 BEADMP CSCC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000300056446 175504841 /nfs/dbraw/zinc/50/48/41/175504841.db2.gz QAVJSYGRDGBXOB-FRRDWIJNSA-N 2 1 244.448 2.448 20 0 BEADMP CC(C)C1(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000232678229 487630938 /nfs/dbraw/zinc/63/09/38/487630938.db2.gz AOMFPNGVCOEYIL-CYBMUJFWSA-N 2 1 224.392 2.354 20 0 BEADMP C[N@@H+](C[C@H]1CC[NH2+]C1)C1CCC(C)(C)CC1 ZINC000087287467 487631906 /nfs/dbraw/zinc/63/19/06/487631906.db2.gz DILDPKCBDLHIKE-LBPRGKRZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1 ZINC000298245262 175885885 /nfs/dbraw/zinc/88/58/85/175885885.db2.gz CVIIVQZBUQFNTB-GFCCVEGCSA-N 2 1 229.327 2.313 20 0 BEADMP C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000049530942 176018501 /nfs/dbraw/zinc/01/85/01/176018501.db2.gz XMRDWBJBEDGNIL-WDEREUQCSA-N 2 1 222.307 2.167 20 0 BEADMP C[C@@H](c1cccnc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000358458799 176030049 /nfs/dbraw/zinc/03/00/49/176030049.db2.gz UGQNOYURJQJTRH-STQMWFEESA-N 2 1 233.359 2.026 20 0 BEADMP C[C@@H](c1cccnc1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000358458799 176030050 /nfs/dbraw/zinc/03/00/50/176030050.db2.gz UGQNOYURJQJTRH-STQMWFEESA-N 2 1 233.359 2.026 20 0 BEADMP C[C@@H]1CCCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000069944954 176063773 /nfs/dbraw/zinc/06/37/73/176063773.db2.gz QVQFCDZOIQMHDA-CHWSQXEVSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)[C@@H]1C ZINC000050565082 176097812 /nfs/dbraw/zinc/09/78/12/176097812.db2.gz YRTHNYBSOKWNCL-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@H](C[NH3+])C2)C1 ZINC000070532673 176136443 /nfs/dbraw/zinc/13/64/43/176136443.db2.gz BNYFRJVVAAVKJT-MGPQQGTHSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)[C@@H]1C ZINC000019963159 176143440 /nfs/dbraw/zinc/14/34/40/176143440.db2.gz OCXYJURIFZNPON-BZPMIXESSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@@H]1C ZINC000043324364 176144935 /nfs/dbraw/zinc/14/49/35/176144935.db2.gz QSPKIPKQDPKCGA-LPWJVIDDSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000309154114 176150707 /nfs/dbraw/zinc/15/07/07/176150707.db2.gz WZBDZGKDNVMHTC-JHJVBQTASA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)C[N@@H+](C[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000087286702 487633029 /nfs/dbraw/zinc/63/30/29/487633029.db2.gz DEMHOEHIPGBDJB-ZDUSSCGKSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CC[N@H+](CCCCCF)[C@H](C[NH3+])C1 ZINC000336672690 176169090 /nfs/dbraw/zinc/16/90/90/176169090.db2.gz GKQMIMNFQNLYTN-NEPJUHHUSA-N 2 1 216.344 2.185 20 0 BEADMP C[C@@H]1CC[N@@H+](CCCCCF)[C@H](C[NH3+])C1 ZINC000336672690 176169091 /nfs/dbraw/zinc/16/90/91/176169091.db2.gz GKQMIMNFQNLYTN-NEPJUHHUSA-N 2 1 216.344 2.185 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000070643243 176211957 /nfs/dbraw/zinc/21/19/57/176211957.db2.gz MVNDERRYBDQOEP-DGCLKSJQSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336717143 176218050 /nfs/dbraw/zinc/21/80/50/176218050.db2.gz XUVHLWQQVGGQPA-VOAKCMCISA-N 2 1 208.349 2.001 20 0 BEADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000300239964 176227031 /nfs/dbraw/zinc/22/70/31/176227031.db2.gz BTVIILDGYXBOIG-MQYQWHSLSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000309105913 176232914 /nfs/dbraw/zinc/23/29/14/176232914.db2.gz HWKXDEILZBQEHM-YPMHNXCESA-N 2 1 208.349 2.027 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)C1 ZINC000309772313 176234446 /nfs/dbraw/zinc/23/44/46/176234446.db2.gz KSQQYWYFPXLBHQ-OUAUKWLOSA-N 2 1 219.332 2.045 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC1(C)CC1 ZINC000336763769 176268330 /nfs/dbraw/zinc/26/83/30/176268330.db2.gz PNIBBQFTASDSIT-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CC12CCCC2 ZINC000336749061 176268537 /nfs/dbraw/zinc/26/85/37/176268537.db2.gz TYWUWPWZQZOVME-AGIUHOORSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CC12CCCC2 ZINC000336749061 176268538 /nfs/dbraw/zinc/26/85/38/176268538.db2.gz TYWUWPWZQZOVME-AGIUHOORSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)C(F)(F)F ZINC000309727261 176268579 /nfs/dbraw/zinc/26/85/79/176268579.db2.gz DKHHLQPHBFDWTM-BBBLOLIVSA-N 2 1 238.297 2.115 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCC1(C)C ZINC000308838234 176270292 /nfs/dbraw/zinc/27/02/92/176270292.db2.gz METDLQFUNQPELY-IJLUTSLNSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCC1(C)C ZINC000308838234 176270295 /nfs/dbraw/zinc/27/02/95/176270295.db2.gz METDLQFUNQPELY-IJLUTSLNSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000154416254 176278834 /nfs/dbraw/zinc/27/88/34/176278834.db2.gz KLMNYISMHITNOT-JMSVASOKSA-N 2 1 248.370 2.211 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000154416254 176278836 /nfs/dbraw/zinc/27/88/36/176278836.db2.gz KLMNYISMHITNOT-JMSVASOKSA-N 2 1 248.370 2.211 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000300230004 176278987 /nfs/dbraw/zinc/27/89/87/176278987.db2.gz NPCBEIXOGQZEPK-LPWJVIDDSA-N 2 1 242.432 2.058 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCC1(C)C ZINC000309218652 176280121 /nfs/dbraw/zinc/28/01/21/176280121.db2.gz PYWUDQVXWOJGAQ-LPWJVIDDSA-N 2 1 224.392 2.493 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@]1(C)C[NH3+] ZINC000335262670 176306592 /nfs/dbraw/zinc/30/65/92/176306592.db2.gz MWPWSCCCXSDTOA-BXUZGUMPSA-N 2 1 236.334 2.242 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccsc2)C[C@@]1(C)C[NH3+] ZINC000309042566 176308563 /nfs/dbraw/zinc/30/85/63/176308563.db2.gz KUUSWFTWKSRIJA-ZYHUDNBSSA-N 2 1 224.373 2.165 20 0 BEADMP C[C@@H]1C[C@@H](C)[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000336651735 176362674 /nfs/dbraw/zinc/36/26/74/176362674.db2.gz VSKQNTXYMCAYLV-UPJWGTAASA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@@H](C)[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000336651735 176362677 /nfs/dbraw/zinc/36/26/77/176362677.db2.gz VSKQNTXYMCAYLV-UPJWGTAASA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCc2cccnc2)CCN1C ZINC000172844211 176371773 /nfs/dbraw/zinc/37/17/73/176371773.db2.gz RQCUTYOOVKBWLN-HIFRSBDPSA-N 2 1 247.386 2.039 20 0 BEADMP C[C@@H]1C[C@@H]([NH+](C)CCc2cccnc2)CC[N@@H+]1C ZINC000172844211 176371774 /nfs/dbraw/zinc/37/17/74/176371774.db2.gz RQCUTYOOVKBWLN-HIFRSBDPSA-N 2 1 247.386 2.039 20 0 BEADMP C[C@@H]1C[C@@H]([NH+](C)CCc2cccnc2)CC[N@H+]1C ZINC000172844211 176371775 /nfs/dbraw/zinc/37/17/75/176371775.db2.gz RQCUTYOOVKBWLN-HIFRSBDPSA-N 2 1 247.386 2.039 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)CCC2)CC[N@H+]1C ZINC000181244019 176375459 /nfs/dbraw/zinc/37/54/59/176375459.db2.gz ACEFXFRSGWKDBZ-NEPJUHHUSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H](c1cccnc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000265915999 177044690 /nfs/dbraw/zinc/04/46/90/177044690.db2.gz BISOGZVZYBOYSU-ZIAGYGMSSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@H](c1cccnc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000265915999 177044691 /nfs/dbraw/zinc/04/46/91/177044691.db2.gz BISOGZVZYBOYSU-ZIAGYGMSSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@H](c1cccnc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000265915999 177044692 /nfs/dbraw/zinc/04/46/92/177044692.db2.gz BISOGZVZYBOYSU-ZIAGYGMSSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@H](c1cccnc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000265915999 177044693 /nfs/dbraw/zinc/04/46/93/177044693.db2.gz BISOGZVZYBOYSU-ZIAGYGMSSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@H](c1cccnc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228474320 177046274 /nfs/dbraw/zinc/04/62/74/177046274.db2.gz NGDLLRXNSMOKIJ-FAAHXZRKSA-N 2 1 245.370 2.202 20 0 BEADMP C[C@H]1CCCCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000226737007 177070619 /nfs/dbraw/zinc/07/06/19/177070619.db2.gz QIMBGJFXRMUIGM-STQMWFEESA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@@H]2C)CC[NH2+]1 ZINC000235367732 177077049 /nfs/dbraw/zinc/07/70/49/177077049.db2.gz OBLVBDRSHHJVOE-FRRDWIJNSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1CCCC[C@H]1[N@@H+](C)CC1CC[NH2+]CC1 ZINC000042611001 177087156 /nfs/dbraw/zinc/08/71/56/177087156.db2.gz JBVPRWCQBUWEBS-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1CCCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000309819641 177088423 /nfs/dbraw/zinc/08/84/23/177088423.db2.gz WBJZRQZYJNLVIB-WCQYABFASA-N 2 1 221.348 2.131 20 0 BEADMP C[C@H]1CC[N@H+](CCCCCF)[C@H](C[NH3+])C1 ZINC000336672706 177160054 /nfs/dbraw/zinc/16/00/54/177160054.db2.gz GKQMIMNFQNLYTN-RYUDHWBXSA-N 2 1 216.344 2.185 20 0 BEADMP C[C@H]1CC[N@@H+](CCCCCF)[C@H](C[NH3+])C1 ZINC000336672706 177160056 /nfs/dbraw/zinc/16/00/56/177160056.db2.gz GKQMIMNFQNLYTN-RYUDHWBXSA-N 2 1 216.344 2.185 20 0 BEADMP C[C@H]1CCC[C@@](C[NH2+]CC2CC2)([NH+](C)C)C1 ZINC000040668771 177127588 /nfs/dbraw/zinc/12/75/88/177127588.db2.gz RIFCQHIKZPDRRE-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1CCC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000309769222 177137598 /nfs/dbraw/zinc/13/75/98/177137598.db2.gz KCHPGNKXHCYYBZ-JSGCOSHPSA-N 2 1 222.376 2.417 20 0 BEADMP C[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000335550948 177194970 /nfs/dbraw/zinc/19/49/70/177194970.db2.gz UKFQQRMNMRNFFE-GWCFXTLKSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000336778900 177233695 /nfs/dbraw/zinc/23/36/95/177233695.db2.gz MQWBSIMREOTHHI-NWDGAFQWSA-N 2 1 228.355 2.199 20 0 BEADMP C[C@H]1C[N@@H+](CCCCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000124394529 177248555 /nfs/dbraw/zinc/24/85/55/177248555.db2.gz VLNOUDCBJMRPLB-UWVGGRQHSA-N 2 1 238.297 2.388 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)CC[C@@H]1[NH3+] ZINC000094341411 177263616 /nfs/dbraw/zinc/26/36/16/177263616.db2.gz QBTLNIVLAUZURD-LRDDRELGSA-N 2 1 244.382 2.344 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CCC2(C)CC2)CC[N@H+]1C ZINC000336760059 177330473 /nfs/dbraw/zinc/33/04/73/177330473.db2.gz LYHRGWAZWWKIHI-RYUDHWBXSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1CCCC1 ZINC000036908586 177330548 /nfs/dbraw/zinc/33/05/48/177330548.db2.gz ADPPVWLZEVORLJ-MBNYWOFBSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)CC[N@H+]1C ZINC000309810328 177330845 /nfs/dbraw/zinc/33/08/45/177330845.db2.gz UALWFRSSUWQBJF-ONGXEEELSA-N 2 1 232.318 2.104 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C2CC(C)(C)C2)CC[N@@H+]1C ZINC000334397018 177331139 /nfs/dbraw/zinc/33/11/39/177331139.db2.gz CEZLWGMRQSARFH-QWRGUYRKSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C2CC(C)(C)C2)CC[N@H+]1C ZINC000334397018 177331140 /nfs/dbraw/zinc/33/11/40/177331140.db2.gz CEZLWGMRQSARFH-QWRGUYRKSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CCCc2ccccn2)CC[N@H+]1C ZINC000181493648 177331196 /nfs/dbraw/zinc/33/11/96/177331196.db2.gz CUCFFOIDOBUUEB-ZFWWWQNUSA-N 2 1 247.386 2.087 20 0 BEADMP C[C@H]1C[C@@H]1C[NH2+]CC[N@H+](C)C1CCCC1 ZINC000336763589 177345133 /nfs/dbraw/zinc/34/51/33/177345133.db2.gz PIXQRWCWNSTMRL-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1C[C@@H]1C[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000336763589 177345135 /nfs/dbraw/zinc/34/51/35/177345135.db2.gz PIXQRWCWNSTMRL-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1C[C@H](C[N@H+]2CCC(C)(C)C2)CC[NH2+]1 ZINC000235661396 177362283 /nfs/dbraw/zinc/36/22/83/177362283.db2.gz XFVUNXCSFJMTLP-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C2CC(C)(C)C2)CC[N@@H+]1C ZINC000334397019 177368508 /nfs/dbraw/zinc/36/85/08/177368508.db2.gz CEZLWGMRQSARFH-WDEREUQCSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C2CC(C)(C)C2)CC[N@H+]1C ZINC000334397019 177368510 /nfs/dbraw/zinc/36/85/10/177368510.db2.gz CEZLWGMRQSARFH-WDEREUQCSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C2Cc3ccccc3C2)CC[N@@H+]1C ZINC000156573709 177369110 /nfs/dbraw/zinc/36/91/10/177369110.db2.gz LLDZMPNOZBVHNX-SWLSCSKDSA-N 2 1 244.382 2.226 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C2Cc3ccccc3C2)CC[N@H+]1C ZINC000156573709 177369111 /nfs/dbraw/zinc/36/91/11/177369111.db2.gz LLDZMPNOZBVHNX-SWLSCSKDSA-N 2 1 244.382 2.226 20 0 BEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccoc1 ZINC000132525129 177370151 /nfs/dbraw/zinc/37/01/51/177370151.db2.gz ZBJOBOHHUOZYFZ-MDZLAQPJSA-N 2 1 222.332 2.098 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccoc1 ZINC000132525129 177370153 /nfs/dbraw/zinc/37/01/53/177370153.db2.gz ZBJOBOHHUOZYFZ-MDZLAQPJSA-N 2 1 222.332 2.098 20 0 BEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000154416369 177370203 /nfs/dbraw/zinc/37/02/03/177370203.db2.gz KLMNYISMHITNOT-XUJVJEKNSA-N 2 1 248.370 2.211 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000154416369 177370205 /nfs/dbraw/zinc/37/02/05/177370205.db2.gz KLMNYISMHITNOT-XUJVJEKNSA-N 2 1 248.370 2.211 20 0 BEADMP C[C@H]1C[C@H]1C[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000336781672 177382170 /nfs/dbraw/zinc/38/21/70/177382170.db2.gz VGFLZNYJNAHTQQ-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1Cc2[nH+]cn(CC3CC[NH2+]CC3)c2C[C@@H]1C ZINC000335917771 177387930 /nfs/dbraw/zinc/38/79/30/177387930.db2.gz IONMMQSEZIVWSB-NEPJUHHUSA-N 2 1 247.386 2.254 20 0 BEADMP Cc1cc(N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc[nH+]1 ZINC000487078081 225287065 /nfs/dbraw/zinc/28/70/65/225287065.db2.gz XWTKXASOTAYVSJ-CQSZACIVSA-N 2 1 233.359 2.166 20 0 BEADMP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000669680747 487644186 /nfs/dbraw/zinc/64/41/86/487644186.db2.gz HYWARZBBPNYRDY-KGLIPLIRSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)OC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000669680748 487644338 /nfs/dbraw/zinc/64/43/38/487644338.db2.gz HYWARZBBPNYRDY-UONOGXRCSA-N 2 1 242.407 2.120 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC12CCCC2)[C@H]1CCC[NH2+]1 ZINC000400391592 226342348 /nfs/dbraw/zinc/34/23/48/226342348.db2.gz OGLNIVZLJCSARS-QJPTWQEYSA-N 2 1 208.349 2.049 20 0 BEADMP C[C@H]([NH2+]CCCOc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400535494 229240089 /nfs/dbraw/zinc/24/00/89/229240089.db2.gz TURPPNSMMLATKA-DZGCQCFKSA-N 2 1 248.370 2.186 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378921938 487672233 /nfs/dbraw/zinc/67/22/33/487672233.db2.gz CZMQAOFYGGDZAA-CRWXNKLISA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378921938 487672237 /nfs/dbraw/zinc/67/22/37/487672237.db2.gz CZMQAOFYGGDZAA-CRWXNKLISA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H](C[NH2+]C[C@@H]1CCCC[NH2+]1)C(C)(C)C ZINC000162989618 487676959 /nfs/dbraw/zinc/67/69/59/487676959.db2.gz KLDBHQHUIXOIAV-RYUDHWBXSA-N 2 1 212.381 2.400 20 0 BEADMP CC[C@@H](C)C[N@@H+](CC)C[C@@H](O)C[NH+](C)C(C)C ZINC000383842528 487677823 /nfs/dbraw/zinc/67/78/23/487677823.db2.gz ZQXQYXCBICDIEI-KGLIPLIRSA-N 2 1 244.423 2.056 20 0 BEADMP CC[C@@H](C)C[NH+](CC)C[C@@H](O)C[N@H+](C)C(C)C ZINC000383842528 487677826 /nfs/dbraw/zinc/67/78/26/487677826.db2.gz ZQXQYXCBICDIEI-KGLIPLIRSA-N 2 1 244.423 2.056 20 0 BEADMP CC[C@@H](C)C[NH+](CC)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000383842528 487677829 /nfs/dbraw/zinc/67/78/29/487677829.db2.gz ZQXQYXCBICDIEI-KGLIPLIRSA-N 2 1 244.423 2.056 20 0 BEADMP FC1(F)CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000383941466 487682423 /nfs/dbraw/zinc/68/24/23/487682423.db2.gz FABOSPBEQOZXNJ-LLVKDONJSA-N 2 1 244.329 2.391 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)C1CC1 ZINC000671743655 487718730 /nfs/dbraw/zinc/71/87/30/487718730.db2.gz GRRBHUQTUIWGHG-FAAHXZRKSA-N 2 1 236.403 2.495 20 0 BEADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000308900036 487723120 /nfs/dbraw/zinc/72/31/20/487723120.db2.gz JTPJMRIQTPIMTJ-STQMWFEESA-N 2 1 210.365 2.237 20 0 BEADMP CC[N@H+](CCC(F)(F)F)C[C@H]1CCC[NH2+]C1 ZINC000226437372 487745650 /nfs/dbraw/zinc/74/56/50/487745650.db2.gz IYXRVZMEMTWDPU-JTQLQIEISA-N 2 1 238.297 2.260 20 0 BEADMP CC[N@@H+](CCC(F)(F)F)C[C@H]1CCC[NH2+]C1 ZINC000226437372 487745656 /nfs/dbraw/zinc/74/56/56/487745656.db2.gz IYXRVZMEMTWDPU-JTQLQIEISA-N 2 1 238.297 2.260 20 0 BEADMP C[C@@H]([N@@H+](C)CC[C@H]1CC[NH2+]C1)C(C)(C)C ZINC000251027313 487746687 /nfs/dbraw/zinc/74/66/87/487746687.db2.gz GTOFTBSJCQXCOL-VXGBXAGGSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]1c2ccsc2CC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000251246441 487752113 /nfs/dbraw/zinc/75/21/13/487752113.db2.gz UOQMBUSWTYWYBS-MNOVXSKESA-N 2 1 236.384 2.277 20 0 BEADMP C[C@@H]1c2ccsc2CC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000251246441 487752120 /nfs/dbraw/zinc/75/21/20/487752120.db2.gz UOQMBUSWTYWYBS-MNOVXSKESA-N 2 1 236.384 2.277 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)c2ccncc2)C1 ZINC000251274695 487752664 /nfs/dbraw/zinc/75/26/64/487752664.db2.gz PINSYXNOGMEWOC-OLZOCXBDSA-N 2 1 233.359 2.074 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)c2ccncc2)C1 ZINC000251274695 487752669 /nfs/dbraw/zinc/75/26/69/487752669.db2.gz PINSYXNOGMEWOC-OLZOCXBDSA-N 2 1 233.359 2.074 20 0 BEADMP CC(C)[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)CC1 ZINC000251384365 487754735 /nfs/dbraw/zinc/75/47/35/487754735.db2.gz ZYULCDFUQHRBAL-UONOGXRCSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@H](CC(C)(C)C)[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000401727507 487763304 /nfs/dbraw/zinc/76/33/04/487763304.db2.gz RNTAJTMGQNFVGK-QJPTWQEYSA-N 2 1 212.381 2.399 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251629314 487779697 /nfs/dbraw/zinc/77/96/97/487779697.db2.gz FJKAHHHSIBICOW-CHWSQXEVSA-N 2 1 212.381 2.482 20 0 BEADMP CC[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675882031 487786485 /nfs/dbraw/zinc/78/64/85/487786485.db2.gz PTBLSTWCUOVZNM-TZMCWYRMSA-N 2 1 240.391 2.018 20 0 BEADMP CC[C@@H]1C[N@H+](Cc2ccccc2F)CC[C@H]1[NH3+] ZINC000251780517 487796462 /nfs/dbraw/zinc/79/64/62/487796462.db2.gz NBENLCVWIPWRFC-BXUZGUMPSA-N 2 1 236.334 2.385 20 0 BEADMP CC[C@@H]1C[N@@H+](Cc2ccccc2F)CC[C@H]1[NH3+] ZINC000251780517 487796469 /nfs/dbraw/zinc/79/64/69/487796469.db2.gz NBENLCVWIPWRFC-BXUZGUMPSA-N 2 1 236.334 2.385 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1)C(C)(C)C ZINC000251889687 487805656 /nfs/dbraw/zinc/80/56/56/487805656.db2.gz VLHMVHRYGDRJCN-GRYCIOLGSA-N 2 1 212.381 2.338 20 0 BEADMP C[C@@H]1CCC[C@@H]([N@@H+](C)C[C@H]2CC[NH2+]C2)C1 ZINC000251953166 487809422 /nfs/dbraw/zinc/80/94/22/487809422.db2.gz XABDLEAURPRWHR-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1cc(C)cc([C@H]2CC[N@@H+](CCC[NH3+])C2)c1 ZINC000414716676 487818774 /nfs/dbraw/zinc/81/87/74/487818774.db2.gz SNFQKYTYAWCTGM-AWEZNQCLSA-N 2 1 232.371 2.442 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CS1 ZINC000322749041 487821868 /nfs/dbraw/zinc/82/18/68/487821868.db2.gz WWRJRMKDDPJEJO-HNMFLPSRSA-N 2 1 240.416 2.095 20 0 BEADMP COc1ccc2c(c1)C[C@H](C)[N@H+](CCC[NH3+])[C@@H]2C ZINC000414753534 487822299 /nfs/dbraw/zinc/82/22/99/487822299.db2.gz DUHPAQMWWMJJBB-NWDGAFQWSA-N 2 1 248.370 2.352 20 0 BEADMP CC[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252419010 487824293 /nfs/dbraw/zinc/82/42/93/487824293.db2.gz XSRTUPIIARLOOR-YNEHKIRRSA-N 2 1 210.365 2.249 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2C[C@H]2C)[C@@H](C)C1 ZINC000488311711 527833373 /nfs/dbraw/zinc/83/33/73/527833373.db2.gz JUGZDWNKHNVVDO-RFGFWPKPSA-N 2 1 224.392 2.305 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2C[C@H]2C)[C@@H](C)C1 ZINC000488311711 527833377 /nfs/dbraw/zinc/83/33/77/527833377.db2.gz JUGZDWNKHNVVDO-RFGFWPKPSA-N 2 1 224.392 2.305 20 0 BEADMP CCCOc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000666746473 487850285 /nfs/dbraw/zinc/85/02/85/487850285.db2.gz BHPIVCHCEPFKGS-OAHLLOKOSA-N 2 1 248.370 2.302 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc2cnccc2c1 ZINC000666741259 487869251 /nfs/dbraw/zinc/86/92/51/487869251.db2.gz HGIOPOMSFYNDHP-HNNXBMFYSA-N 2 1 243.354 2.308 20 0 BEADMP CC(C)C[C@H](C)C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770544 487876597 /nfs/dbraw/zinc/87/65/97/487876597.db2.gz IKEQDHPSAHMUGU-QWHCGFSZSA-N 2 1 212.381 2.400 20 0 BEADMP Fc1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1F ZINC000666855149 487890553 /nfs/dbraw/zinc/89/05/53/487890553.db2.gz AHBRMROHSIMRLP-NSHDSACASA-N 2 1 240.297 2.197 20 0 BEADMP CC[NH2+][C@H](C)C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000666877425 487895390 /nfs/dbraw/zinc/89/53/90/487895390.db2.gz XGRWUGQUWXTNOL-CHWSQXEVSA-N 2 1 248.370 2.140 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC000666930297 487907541 /nfs/dbraw/zinc/90/75/41/487907541.db2.gz XOWHVBIZEXKWFP-QWRGUYRKSA-N 2 1 218.344 2.389 20 0 BEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc2cnccc2c1 ZINC000666931724 487907699 /nfs/dbraw/zinc/90/76/99/487907699.db2.gz PEYDWNZATICNNG-MNOVXSKESA-N 2 1 229.327 2.060 20 0 BEADMP CCc1ccc(CNC[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000666943537 487910257 /nfs/dbraw/zinc/91/02/57/487910257.db2.gz WOVIGJLAWRHOSU-KBPBESRZSA-N 2 1 236.334 2.039 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCO2)[C@@H]1CC[NH3+] ZINC000404296867 487917495 /nfs/dbraw/zinc/91/74/95/487917495.db2.gz OBYNMRCZALQCJE-HZSPNIEDSA-N 2 1 240.391 2.005 20 0 BEADMP Cc1ccncc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993981 487923823 /nfs/dbraw/zinc/92/38/23/487923823.db2.gz ZMMPFQOFERCUJV-CQSZACIVSA-N 2 1 245.370 2.154 20 0 BEADMP FC1(F)C[C@]12CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000652364477 487934373 /nfs/dbraw/zinc/93/43/73/487934373.db2.gz SQAYIKROTAFWTH-NEPJUHHUSA-N 2 1 244.329 2.107 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](C3CCC3)C2)CC[NH2+]1 ZINC000667060770 487935935 /nfs/dbraw/zinc/93/59/35/487935935.db2.gz YGSUZTHQOJNHTM-IPYPFGDCSA-N 2 1 236.403 2.497 20 0 BEADMP c1sc2ccccc2c1CC[NH2+][C@H]1CC[NH2+]C1 ZINC000258984989 322880610 /nfs/dbraw/zinc/88/06/10/322880610.db2.gz MGRVNKRVFVFSSP-LBPRGKRZSA-N 2 1 246.379 2.395 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403208542 323000306 /nfs/dbraw/zinc/00/03/06/323000306.db2.gz HNOVFBZIPPLUDT-QMIVOQANSA-N 2 1 236.403 2.352 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C2CCCC2)[C@H](C)C1 ZINC000151238673 323014138 /nfs/dbraw/zinc/01/41/38/323014138.db2.gz OOYRDELLAVVNMI-YPMHNXCESA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@@H](NCC[N@H+]1CC[C@@H](C)C1)c1ccncc1 ZINC000562779019 323030501 /nfs/dbraw/zinc/03/05/01/323030501.db2.gz UMUVTTJHUNFYPN-UKRRQHHQSA-N 2 1 247.386 2.464 20 0 BEADMP Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000562860788 323032259 /nfs/dbraw/zinc/03/22/59/323032259.db2.gz IPAPRUBREFIBSG-ZIAGYGMSSA-N 2 1 247.386 2.382 20 0 BEADMP COCC[C@H](C)[NH2+][C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000151972843 323080077 /nfs/dbraw/zinc/08/00/77/323080077.db2.gz RRHNMIKRBQVSIG-MELADBBJSA-N 2 1 242.407 2.121 20 0 BEADMP COCC[C@H](C)[NH2+][C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000151972843 323080078 /nfs/dbraw/zinc/08/00/78/323080078.db2.gz RRHNMIKRBQVSIG-MELADBBJSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000318889559 323083250 /nfs/dbraw/zinc/08/32/50/323083250.db2.gz NWLONKPJOCGGPC-AEGPPILISA-N 2 1 232.371 2.376 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000571037876 323104342 /nfs/dbraw/zinc/10/43/42/323104342.db2.gz KTGCXCMSAXKKCJ-FZMZJTMJSA-N 2 1 248.370 2.400 20 0 BEADMP C([NH2+][C@@H]1CCC[C@H]2C[C@H]21)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000408510476 323120587 /nfs/dbraw/zinc/12/05/87/323120587.db2.gz PVMWLGVKMFPXLZ-DDHJSBNISA-N 2 1 234.387 2.249 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CCc2c[nH+]cn2C)C[C@H]1C ZINC000401879754 323128726 /nfs/dbraw/zinc/12/87/26/323128726.db2.gz PSEMNHYWANWNAD-UPJWGTAASA-N 2 1 235.375 2.377 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1sccc1Cl ZINC000414842502 323151621 /nfs/dbraw/zinc/15/16/21/323151621.db2.gz OYQSNIDYJMMECK-MRVPVSSYSA-N 2 1 232.780 2.347 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000414942548 323152177 /nfs/dbraw/zinc/15/21/77/323152177.db2.gz ZQPCSQGWLSROGD-UHOFOFEASA-N 2 1 244.382 2.132 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOC(C)(C)C ZINC000308722980 323177338 /nfs/dbraw/zinc/17/73/38/323177338.db2.gz FBDIXWRTDBIDFR-FRRDWIJNSA-N 2 1 242.407 2.120 20 0 BEADMP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530216251 323217226 /nfs/dbraw/zinc/21/72/26/323217226.db2.gz OWKPMIVYENEBDY-WCQYABFASA-N 2 1 234.343 2.085 20 0 BEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC000530224056 323218296 /nfs/dbraw/zinc/21/82/96/323218296.db2.gz KQZIMEQPCBKFLN-NTZNESFSSA-N 2 1 224.392 2.399 20 0 BEADMP CC[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043326374 323273422 /nfs/dbraw/zinc/27/34/22/323273422.db2.gz LNYMFBWFLGQALI-XQQFMLRXSA-N 2 1 210.365 2.297 20 0 BEADMP C1CC(C([NH2+][C@H]2CCC[NH2+]C2)C2CCC2)C1 ZINC000324992592 323306940 /nfs/dbraw/zinc/30/69/40/323306940.db2.gz WXMXNSKCCCLPFV-ZDUSSCGKSA-N 2 1 222.376 2.297 20 0 BEADMP CC(C)(C)[NH+]1CCC([NH2+]CC2(F)CC2)CC1 ZINC000309319218 323343364 /nfs/dbraw/zinc/34/33/64/323343364.db2.gz DTSAWIXQLMZINN-UHFFFAOYSA-N 2 1 228.355 2.341 20 0 BEADMP CC1(C)CC([NH2+]CC2(F)CC2)CC(C)(C)[NH2+]1 ZINC000309416004 323393849 /nfs/dbraw/zinc/39/38/49/323393849.db2.gz JFKWJXZOBCJILT-UHFFFAOYSA-N 2 1 228.355 2.387 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000396727502 323656350 /nfs/dbraw/zinc/65/63/50/323656350.db2.gz WXXBJANRIDGYFV-NDBYEHHHSA-N 2 1 210.365 2.295 20 0 BEADMP CCC(C)(C)[N@H+](C)CCCc1c[nH+]cn1C ZINC000572494244 324131686 /nfs/dbraw/zinc/13/16/86/324131686.db2.gz OPNFNIBFXYHFCR-UHFFFAOYSA-N 2 1 223.364 2.473 20 0 BEADMP CCC(C)(C)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000572494244 324131688 /nfs/dbraw/zinc/13/16/88/324131688.db2.gz OPNFNIBFXYHFCR-UHFFFAOYSA-N 2 1 223.364 2.473 20 0 BEADMP Cc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)nc1 ZINC000126986644 324736116 /nfs/dbraw/zinc/73/61/16/324736116.db2.gz GSKQAVIERHVFHF-AWEZNQCLSA-N 2 1 247.386 2.212 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C(C)(C)C ZINC000133321475 325286376 /nfs/dbraw/zinc/28/63/76/325286376.db2.gz UFNNQNMKVZLSJX-RYUDHWBXSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cncs1 ZINC000133405547 325293739 /nfs/dbraw/zinc/29/37/39/325293739.db2.gz GXHVWMLMFGHMSG-MNOVXSKESA-N 2 1 239.388 2.136 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cncs1 ZINC000133405547 325293743 /nfs/dbraw/zinc/29/37/43/325293743.db2.gz GXHVWMLMFGHMSG-MNOVXSKESA-N 2 1 239.388 2.136 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CCC1 ZINC000133405165 325293643 /nfs/dbraw/zinc/29/36/43/325293643.db2.gz ZRLRJUMLAAGYPE-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP COCCCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860425 325317782 /nfs/dbraw/zinc/31/77/82/325317782.db2.gz XOEFTJGPHATTAO-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP COCCCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000075860425 325317784 /nfs/dbraw/zinc/31/77/84/325317784.db2.gz XOEFTJGPHATTAO-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP COCCCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000075860425 325317785 /nfs/dbraw/zinc/31/77/85/325317785.db2.gz XOEFTJGPHATTAO-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000554721346 325734690 /nfs/dbraw/zinc/73/46/90/325734690.db2.gz LSQXOVJSRZWAEY-KGLIPLIRSA-N 2 1 233.359 2.131 20 0 BEADMP C[NH2+][C@H]1CC[N@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000566226560 326018515 /nfs/dbraw/zinc/01/85/15/326018515.db2.gz ZBEDVDNWUYPQLE-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH2+][C@H]1CC[N@@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000566226560 326018518 /nfs/dbraw/zinc/01/85/18/326018518.db2.gz ZBEDVDNWUYPQLE-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)[C@@H]1CCC[NH2+]1 ZINC000566849874 326087177 /nfs/dbraw/zinc/08/71/77/326087177.db2.gz WPTAGDQTUUEHOP-LOWVWBTDSA-N 2 1 238.400 2.409 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C(C2CC2)C2CC2)CC[N@H+]1C ZINC000156117533 326219324 /nfs/dbraw/zinc/21/93/24/326219324.db2.gz ARCGDFCDHIFVMB-GWCFXTLKSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C(C2CC2)C2CC2)CC[N@@H+]1C ZINC000156117533 326219323 /nfs/dbraw/zinc/21/93/23/326219323.db2.gz ARCGDFCDHIFVMB-GWCFXTLKSA-N 2 1 222.376 2.247 20 0 BEADMP CC[C@@H](C)[C@@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000314656960 326305335 /nfs/dbraw/zinc/30/53/35/326305335.db2.gz HPUHKLQUYZHDCY-VXGBXAGGSA-N 2 1 223.364 2.377 20 0 BEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(F)c1F ZINC000568087472 326306772 /nfs/dbraw/zinc/30/67/72/326306772.db2.gz GTGGWXXUVXKIAH-IUCAKERBSA-N 2 1 228.286 2.180 20 0 BEADMP CCCC[C@@H](COC)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158198696 326311222 /nfs/dbraw/zinc/31/12/22/326311222.db2.gz WWMVQRXHQORWGW-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C(C)C)C2CC2)CC1 ZINC000159320128 326397325 /nfs/dbraw/zinc/39/73/25/326397325.db2.gz KQGOKGRQWJXFCJ-CQSZACIVSA-N 2 1 224.392 2.495 20 0 BEADMP Cc1ccc2cc[nH+]c(NCCCC[NH3+])c2c1 ZINC000569244861 326397561 /nfs/dbraw/zinc/39/75/61/326397561.db2.gz ARJLLNSPPKZRRA-UHFFFAOYSA-N 2 1 229.327 2.116 20 0 BEADMP C[NH+]1CCC([NH2+]CC(C)(C)C(F)(F)F)CC1 ZINC000309580314 487987495 /nfs/dbraw/zinc/98/74/95/487987495.db2.gz QDBZUMDWSMTUKP-UHFFFAOYSA-N 2 1 238.297 2.259 20 0 BEADMP Cn1cncc1CCC[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000653625936 487995307 /nfs/dbraw/zinc/99/53/07/487995307.db2.gz YBDIMSUEEJZTGS-GXTWGEPZSA-N 2 1 233.359 2.227 20 0 BEADMP Cn1cncc1CCC[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000653625939 487995285 /nfs/dbraw/zinc/99/52/85/487995285.db2.gz YBDIMSUEEJZTGS-TZMCWYRMSA-N 2 1 233.359 2.227 20 0 BEADMP C[C@@H](Cc1cccs1)[NH2+]CCc1c[nH+]cn1C ZINC000682647714 488005708 /nfs/dbraw/zinc/00/57/08/488005708.db2.gz ODMFZUGQUJWVOL-NSHDSACASA-N 2 1 249.383 2.245 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CC2=CCCC2)CC[N@H+]1C ZINC000401173883 488017721 /nfs/dbraw/zinc/01/77/21/488017721.db2.gz UWKIDIDXDNCMFL-WCQYABFASA-N 2 1 208.349 2.169 20 0 BEADMP CCC[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667495955 488028719 /nfs/dbraw/zinc/02/87/19/488028719.db2.gz CSIHPGZESZVKJG-UHFFFAOYSA-N 2 1 230.315 2.109 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000663509715 488055001 /nfs/dbraw/zinc/05/50/01/488055001.db2.gz ACXOMDMBAMVOET-CHWSQXEVSA-N 2 1 220.360 2.378 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000663509944 488055012 /nfs/dbraw/zinc/05/50/12/488055012.db2.gz BLDUXQKDLYJBNO-QWHCGFSZSA-N 2 1 220.360 2.063 20 0 BEADMP CC(C)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000334867370 488059056 /nfs/dbraw/zinc/05/90/56/488059056.db2.gz CVXUKJKHQOJTEK-STQMWFEESA-N 2 1 210.365 2.106 20 0 BEADMP CCC(CC)[N@@H+](CC)C[C@@H](O)C[NH+](C)C(C)C ZINC000660559985 488064394 /nfs/dbraw/zinc/06/43/94/488064394.db2.gz FWHQOCFFNACBCR-AWEZNQCLSA-N 2 1 244.423 2.198 20 0 BEADMP CCC(CC)[NH+](CC)C[C@@H](O)C[N@H+](C)C(C)C ZINC000660559985 488064397 /nfs/dbraw/zinc/06/43/97/488064397.db2.gz FWHQOCFFNACBCR-AWEZNQCLSA-N 2 1 244.423 2.198 20 0 BEADMP CCC(CC)[NH+](CC)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660559985 488064400 /nfs/dbraw/zinc/06/44/00/488064400.db2.gz FWHQOCFFNACBCR-AWEZNQCLSA-N 2 1 244.423 2.198 20 0 BEADMP CC[C@H](C)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000394413136 488070154 /nfs/dbraw/zinc/07/01/54/488070154.db2.gz RNQDJJQAYLLJBD-XQQFMLRXSA-N 2 1 212.381 2.495 20 0 BEADMP Cc1cc[nH+]c(N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000257655137 488077330 /nfs/dbraw/zinc/07/73/30/488077330.db2.gz PHDBQNQYVLYBBK-QWRGUYRKSA-N 2 1 205.305 2.072 20 0 BEADMP C[C@@H](c1cccnc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257674670 488079390 /nfs/dbraw/zinc/07/93/90/488079390.db2.gz FMTUFCZIDQZBPJ-ZFWWWQNUSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@@H](c1cccnc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257674670 488079395 /nfs/dbraw/zinc/07/93/95/488079395.db2.gz FMTUFCZIDQZBPJ-ZFWWWQNUSA-N 2 1 245.370 2.218 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225882063 488081933 /nfs/dbraw/zinc/08/19/33/488081933.db2.gz SUSIWNCPSNUWKN-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000151104215 488117470 /nfs/dbraw/zinc/11/74/70/488117470.db2.gz YAWJHERVWZOXEW-LBPRGKRZSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403602589 488128464 /nfs/dbraw/zinc/12/84/64/488128464.db2.gz GYGIGTMICGFJPS-XJFOESAGSA-N 2 1 222.376 2.093 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000403611309 488129035 /nfs/dbraw/zinc/12/90/35/488129035.db2.gz ITMDASIFBROVJD-ZSAUSMIDSA-N 2 1 234.387 2.106 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000403611309 488129039 /nfs/dbraw/zinc/12/90/39/488129039.db2.gz ITMDASIFBROVJD-ZSAUSMIDSA-N 2 1 234.387 2.106 20 0 BEADMP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403696237 488132543 /nfs/dbraw/zinc/13/25/43/488132543.db2.gz BDYJCSMDKVZUFZ-MQYQWHSLSA-N 2 1 224.392 2.386 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1C ZINC000131534691 490083323 /nfs/dbraw/zinc/08/33/23/490083323.db2.gz NPWDWYQKWPHRBG-GXTWGEPZSA-N 2 1 248.370 2.315 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000382114121 487531450 /nfs/dbraw/zinc/53/14/50/487531450.db2.gz LOBJZUAVAZXHEG-RFQIPJPRSA-N 2 1 222.376 2.106 20 0 BEADMP CC[C@@H]1CC[C@@H](C)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000304348750 487487636 /nfs/dbraw/zinc/48/76/36/487487636.db2.gz KDWXWKCUNQPUNX-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)(CC[N@H+]1CC[C@@](C)(C[NH3+])C1)C1CC1 ZINC000406064253 487498508 /nfs/dbraw/zinc/49/85/08/487498508.db2.gz NWTVQUHVRJONAJ-AWEZNQCLSA-N 2 1 224.392 2.483 20 0 BEADMP CC(C)(CC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC000406020436 487495356 /nfs/dbraw/zinc/49/53/56/487495356.db2.gz DKIKVDLXBWTAST-GXTWGEPZSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)(CC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC000406020436 487495360 /nfs/dbraw/zinc/49/53/60/487495360.db2.gz DKIKVDLXBWTAST-GXTWGEPZSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)CC[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000300056254 487498763 /nfs/dbraw/zinc/49/87/63/487498763.db2.gz OLWLZWUYGMVJAW-OLZOCXBDSA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000304648728 487513661 /nfs/dbraw/zinc/51/36/61/487513661.db2.gz YAYJLFNFVBABBH-HZSPNIEDSA-N 2 1 224.392 2.495 20 0 BEADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000682404679 487947862 /nfs/dbraw/zinc/94/78/62/487947862.db2.gz HYVSTPZZCIFQRM-BYNSBNAKSA-N 2 1 234.387 2.130 20 0 BEADMP COC(C)(C)CC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000682528936 487977289 /nfs/dbraw/zinc/97/72/89/487977289.db2.gz FBZDEBMAUZQJPE-ZDUSSCGKSA-N 2 1 242.407 2.264 20 0 BEADMP COC(C)(C)CC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000682528936 487977292 /nfs/dbraw/zinc/97/72/92/487977292.db2.gz FBZDEBMAUZQJPE-ZDUSSCGKSA-N 2 1 242.407 2.264 20 0 BEADMP C[N@@H+](CCC1CCCCC1)C[C@H]1CC[NH2+]C1 ZINC000258863512 488140309 /nfs/dbraw/zinc/14/03/09/488140309.db2.gz IWZOXAOETUQUPX-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP CC[C@@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OC ZINC000322529327 488189548 /nfs/dbraw/zinc/18/95/48/488189548.db2.gz PCGXLKQPLHRQSK-GSPSYOTPSA-N 2 1 240.391 2.016 20 0 BEADMP Cc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)on1 ZINC000678219108 488219687 /nfs/dbraw/zinc/21/96/87/488219687.db2.gz KJZUMKYBTDNXPA-UHFFFAOYSA-N 2 1 249.358 2.043 20 0 BEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCC2CCC2)C1 ZINC000398616632 488220762 /nfs/dbraw/zinc/22/07/62/488220762.db2.gz CMJNRKNETAWLMU-ZDUSSCGKSA-N 2 1 210.365 2.237 20 0 BEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCC1CCC1)C2 ZINC000398679908 488222274 /nfs/dbraw/zinc/22/22/74/488222274.db2.gz XGOQXIQMYDVKIF-KBPBESRZSA-N 2 1 222.376 2.237 20 0 BEADMP CC[C@@H]1C[N@@H+](CCC2CCC2)CC[C@H]1[NH3+] ZINC000398751677 488223357 /nfs/dbraw/zinc/22/33/57/488223357.db2.gz BYSHWFOIHCZORA-CHWSQXEVSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H](CC[N@H+]1CC=CCC1)[NH+]1CC=CCC1 ZINC000679322912 488336412 /nfs/dbraw/zinc/33/64/12/488336412.db2.gz GBSFDHJXCAESOV-CQSZACIVSA-N 2 1 220.360 2.289 20 0 BEADMP C[C@H](CC[N@@H+]1CC=CCC1)[NH+]1CC=CCC1 ZINC000679322912 488336414 /nfs/dbraw/zinc/33/64/14/488336414.db2.gz GBSFDHJXCAESOV-CQSZACIVSA-N 2 1 220.360 2.289 20 0 BEADMP C[C@H](CC[NH+]1CC=CCC1)[N@H+]1CC=CCC1 ZINC000679322912 488336415 /nfs/dbraw/zinc/33/64/15/488336415.db2.gz GBSFDHJXCAESOV-CQSZACIVSA-N 2 1 220.360 2.289 20 0 BEADMP C[C@H](CC[NH+]1CC=CCC1)[N@@H+]1CC=CCC1 ZINC000679322912 488336416 /nfs/dbraw/zinc/33/64/16/488336416.db2.gz GBSFDHJXCAESOV-CQSZACIVSA-N 2 1 220.360 2.289 20 0 BEADMP C[N@H+](Cc1ccc(O)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000679396059 488350665 /nfs/dbraw/zinc/35/06/65/488350665.db2.gz NWAFWGCBCLJTRV-AWEZNQCLSA-N 2 1 248.370 2.166 20 0 BEADMP C[NH+](Cc1ccc(O)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000679396059 488350667 /nfs/dbraw/zinc/35/06/67/488350667.db2.gz NWAFWGCBCLJTRV-AWEZNQCLSA-N 2 1 248.370 2.166 20 0 BEADMP C[NH+](Cc1ccc(O)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000679396059 488350669 /nfs/dbraw/zinc/35/06/69/488350669.db2.gz NWAFWGCBCLJTRV-AWEZNQCLSA-N 2 1 248.370 2.166 20 0 BEADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C(C)C)C1)C1CC1 ZINC000083055796 490318689 /nfs/dbraw/zinc/31/86/89/490318689.db2.gz KUBAUVWQDBVZGI-OCCSQVGLSA-N 2 1 224.392 2.495 20 0 BEADMP Cc1cccc(C)c1C[N@H+](C)CC1CN(C)C1 ZINC000668539824 490357851 /nfs/dbraw/zinc/35/78/51/490357851.db2.gz NKDUYBRALKKEDE-UHFFFAOYSA-N 2 1 232.371 2.297 20 0 BEADMP CC[C@H]([NH2+][C@@H](C)C[NH+](CC)CC)[C@H]1CCOC1 ZINC000301644849 490581700 /nfs/dbraw/zinc/58/17/00/490581700.db2.gz VYVVTRCLSFPDIJ-IHRRRGAJSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@H]([NH2+][C@H](C)C[NH+](CC)CC)[C@@H]1CCOC1 ZINC000301644851 490582498 /nfs/dbraw/zinc/58/24/98/490582498.db2.gz VYVVTRCLSFPDIJ-MCIONIFRSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293303 491087507 /nfs/dbraw/zinc/08/75/07/491087507.db2.gz GIPJTHSLXNLLKU-CYBMUJFWSA-N 2 1 210.365 2.108 20 0 BEADMP Cc1ncccc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404292487 491093580 /nfs/dbraw/zinc/09/35/80/491093580.db2.gz LVJHNICPMZWTLE-DOMZBBRYSA-N 2 1 247.386 2.339 20 0 BEADMP CC[C@@H]1CC[C@@H](C)[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000304318406 491109999 /nfs/dbraw/zinc/10/99/99/491109999.db2.gz FJFBNEGDHWERFR-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C1 ZINC000310466803 491161595 /nfs/dbraw/zinc/16/15/95/491161595.db2.gz XQQSWZJFODXXLU-MGPQQGTHSA-N 2 1 242.407 2.262 20 0 BEADMP CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000310466803 491161596 /nfs/dbraw/zinc/16/15/96/491161596.db2.gz XQQSWZJFODXXLU-MGPQQGTHSA-N 2 1 242.407 2.262 20 0 BEADMP CSC[C@@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(C)C ZINC000400010305 533750416 /nfs/dbraw/zinc/75/04/16/533750416.db2.gz VLFZEFHMCMCZIZ-RYUDHWBXSA-N 2 1 230.421 2.187 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@H]2C)[C@@H](C)C1 ZINC000488311711 527833370 /nfs/dbraw/zinc/83/33/70/527833370.db2.gz JUGZDWNKHNVVDO-RFGFWPKPSA-N 2 1 224.392 2.305 20 0 BEADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2C[C@@H]2C)CC1 ZINC000488314551 528195462 /nfs/dbraw/zinc/19/54/62/528195462.db2.gz OJEKVDUNRGUADH-QWHCGFSZSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000513105924 528237573 /nfs/dbraw/zinc/23/75/73/528237573.db2.gz DXAMGRZRLDYHGQ-IHRRRGAJSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000513105924 528237577 /nfs/dbraw/zinc/23/75/77/528237577.db2.gz DXAMGRZRLDYHGQ-IHRRRGAJSA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)[N@H+](C)CCC[NH2+]C/C=C/c1ccncc1 ZINC000486971092 528816351 /nfs/dbraw/zinc/81/63/51/528816351.db2.gz SCIIOGHIWBWAGJ-GQCTYLIASA-N 2 1 247.386 2.415 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+]C/C=C/c1ccncc1 ZINC000486971092 528816355 /nfs/dbraw/zinc/81/63/55/528816355.db2.gz SCIIOGHIWBWAGJ-GQCTYLIASA-N 2 1 247.386 2.415 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000309093352 528828698 /nfs/dbraw/zinc/82/86/98/528828698.db2.gz FSUPILAANZHNRM-QJPTWQEYSA-N 2 1 230.421 2.056 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000309093352 528828704 /nfs/dbraw/zinc/82/87/04/528828704.db2.gz FSUPILAANZHNRM-QJPTWQEYSA-N 2 1 230.421 2.056 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000308847327 528832436 /nfs/dbraw/zinc/83/24/36/528832436.db2.gz MUTFPVFMKOZGGM-YVECIDJPSA-N 2 1 212.381 2.349 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000308847327 528832440 /nfs/dbraw/zinc/83/24/40/528832440.db2.gz MUTFPVFMKOZGGM-YVECIDJPSA-N 2 1 212.381 2.349 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000164422099 535003446 /nfs/dbraw/zinc/00/34/46/535003446.db2.gz PTECQPJVAUOSNZ-CHWSQXEVSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000172644675 535127553 /nfs/dbraw/zinc/12/75/53/535127553.db2.gz YTCJOWMAXCTESQ-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP CCC[NH2+]CCNc1cc[nH+]cc1Cl ZINC000086839816 535173642 /nfs/dbraw/zinc/17/36/42/535173642.db2.gz DXLRPIRLRSXONA-UHFFFAOYSA-N 2 1 213.712 2.147 20 0 BEADMP CCC(=O)CCC[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000347745876 535292775 /nfs/dbraw/zinc/29/27/75/535292775.db2.gz IWUQFMVPKHCIEN-ZDUSSCGKSA-N 2 1 240.391 2.019 20 0 BEADMP CCC(=O)CCC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000347745876 535292779 /nfs/dbraw/zinc/29/27/79/535292779.db2.gz IWUQFMVPKHCIEN-ZDUSSCGKSA-N 2 1 240.391 2.019 20 0 BEADMP CCC(=O)CCC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000347745876 535292785 /nfs/dbraw/zinc/29/27/85/535292785.db2.gz IWUQFMVPKHCIEN-ZDUSSCGKSA-N 2 1 240.391 2.019 20 0 BEADMP CCC(=O)CCC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000347745876 535292789 /nfs/dbraw/zinc/29/27/89/535292789.db2.gz IWUQFMVPKHCIEN-ZDUSSCGKSA-N 2 1 240.391 2.019 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cccs1 ZINC000083758646 535306299 /nfs/dbraw/zinc/30/62/99/535306299.db2.gz CVXFCCFZSXRESV-SNVBAGLBSA-N 2 1 212.362 2.211 20 0 BEADMP CC[NH+]1CCC([N@H+](C)CCCCF)CC1 ZINC000352002638 535457050 /nfs/dbraw/zinc/45/70/50/535457050.db2.gz HYSCYSZVQQQZRA-UHFFFAOYSA-N 2 1 216.344 2.152 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)CCCCF)CC1 ZINC000352002638 535457054 /nfs/dbraw/zinc/45/70/54/535457054.db2.gz HYSCYSZVQQQZRA-UHFFFAOYSA-N 2 1 216.344 2.152 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1CCSC1 ZINC000179568539 535503029 /nfs/dbraw/zinc/50/30/29/535503029.db2.gz ORTWGCXFUJAFHO-GFCCVEGCSA-N 2 1 230.421 2.156 20 0 BEADMP CCOCC[N@@H+](CC)CC[C@H]1CCCC[NH+]1C ZINC000351602221 535586034 /nfs/dbraw/zinc/58/60/34/535586034.db2.gz XYOIGIMTBGMTAA-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP CCOCC[NH+](CC)CC[C@H]1CCCC[N@@H+]1C ZINC000351602221 535586037 /nfs/dbraw/zinc/58/60/37/535586037.db2.gz XYOIGIMTBGMTAA-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP CCOCC[NH+](CC)CC[C@H]1CCCC[N@H+]1C ZINC000351602221 535586045 /nfs/dbraw/zinc/58/60/45/535586045.db2.gz XYOIGIMTBGMTAA-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP CC[N@H+]1C[C@H](C)N(c2cc[nH+]c(C)c2)C[C@H]1C ZINC000357701759 535780893 /nfs/dbraw/zinc/78/08/93/535780893.db2.gz XNDFOTDPSARFNU-OLZOCXBDSA-N 2 1 233.359 2.309 20 0 BEADMP CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000251754095 535819336 /nfs/dbraw/zinc/81/93/36/535819336.db2.gz LNYMFBWFLGQALI-FRRDWIJNSA-N 2 1 210.365 2.297 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261541252 535935862 /nfs/dbraw/zinc/93/58/62/535935862.db2.gz BAJWBVHNHGCULZ-OAHLLOKOSA-N 2 1 232.371 2.420 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000222816048 535936155 /nfs/dbraw/zinc/93/61/55/535936155.db2.gz FKOJVURKNHCQQM-XQQFMLRXSA-N 2 1 212.381 2.493 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000222816048 535936163 /nfs/dbraw/zinc/93/61/63/535936163.db2.gz FKOJVURKNHCQQM-XQQFMLRXSA-N 2 1 212.381 2.493 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000217464409 535936556 /nfs/dbraw/zinc/93/65/56/535936556.db2.gz BKOLLYXTMPGIGK-WFASDCNBSA-N 2 1 232.371 2.418 20 0 BEADMP COCC(C)(C)CCC[NH2+]C1CC[NH+](C)CC1 ZINC000348331252 536785103 /nfs/dbraw/zinc/78/51/03/536785103.db2.gz VEQHYDCSXACSGN-UHFFFAOYSA-N 2 1 242.407 2.123 20 0 BEADMP COCCCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000222977664 536878915 /nfs/dbraw/zinc/87/89/15/536878915.db2.gz YZQSYCIJLHGKED-BFHYXJOUSA-N 2 1 242.407 2.121 20 0 BEADMP COc1ccccc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000261556001 537048549 /nfs/dbraw/zinc/04/85/49/537048549.db2.gz BUAQUIJFJIVEFP-CQSZACIVSA-N 2 1 248.370 2.173 20 0 BEADMP CC1(C[NH2+][C@H]2CCc3[nH]cnc3C2)CCC1 ZINC000335606856 566405470 /nfs/dbraw/zinc/40/54/70/566405470.db2.gz YTLUIUVGADJDRZ-JTQLQIEISA-N 2 1 219.332 2.047 20 0 BEADMP CCCCCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000757133897 582510301 /nfs/dbraw/zinc/51/03/01/582510301.db2.gz VNRGNTWZFCVROR-CYBMUJFWSA-N 2 1 210.365 2.395 20 0 BEADMP CCCCCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000757133897 582510302 /nfs/dbraw/zinc/51/03/02/582510302.db2.gz VNRGNTWZFCVROR-CYBMUJFWSA-N 2 1 210.365 2.395 20 0 BEADMP C[C@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)[C@H]1C ZINC000891860928 582730868 /nfs/dbraw/zinc/73/08/68/582730868.db2.gz DUIDBGMWSPUHQF-STQMWFEESA-N 2 1 224.392 2.449 20 0 BEADMP C[N@@H+](CCCCCCC[NH3+])C[C@H]1CCCOC1 ZINC000104198776 582792859 /nfs/dbraw/zinc/79/28/59/582792859.db2.gz SIYYOOCEHGFMMO-CQSZACIVSA-N 2 1 242.407 2.254 20 0 BEADMP CCCSC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000892612545 582929245 /nfs/dbraw/zinc/92/92/45/582929245.db2.gz ARTMWRMCVYPGGB-STQMWFEESA-N 2 1 244.448 2.450 20 0 BEADMP CCCSC[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000892757482 582976467 /nfs/dbraw/zinc/97/64/67/582976467.db2.gz IZWMEMRVGUZUSA-NSHDSACASA-N 2 1 241.404 2.313 20 0 BEADMP Cc1coc(CN(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000893952119 583260742 /nfs/dbraw/zinc/26/07/42/583260742.db2.gz BGSMVZDROMKWIX-ZDUSSCGKSA-N 2 1 236.359 2.362 20 0 BEADMP Cc1ncoc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000893980149 583265897 /nfs/dbraw/zinc/26/58/97/583265897.db2.gz IYXSZOOLKZZDLP-UHFFFAOYSA-N 2 1 246.314 2.086 20 0 BEADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cc(C)co2)C1 ZINC000894087231 583298794 /nfs/dbraw/zinc/29/87/94/583298794.db2.gz VYUSKVWHMLLLEX-CYBMUJFWSA-N 2 1 236.359 2.362 20 0 BEADMP C[C@@H](c1cccnc1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000738312923 583379475 /nfs/dbraw/zinc/37/94/75/583379475.db2.gz ZMFVFCHDKNEIEP-ZDUSSCGKSA-N 2 1 247.386 2.416 20 0 BEADMP CN1CCC[C@@H]2[C@H]1CC[N@H+]2CC1=CCCC1 ZINC000880140664 583473037 /nfs/dbraw/zinc/47/30/37/583473037.db2.gz COALAXMJUCKGCN-ZIAGYGMSSA-N 2 1 220.360 2.265 20 0 BEADMP CC[C@@H](CSC)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000894494544 583473559 /nfs/dbraw/zinc/47/35/59/583473559.db2.gz FZMRRFOMXKVYBU-ZDUSSCGKSA-N 2 1 244.448 2.402 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CC(C)(C)[C@H]2C2CC2)CC1 ZINC000894543562 583481468 /nfs/dbraw/zinc/48/14/68/583481468.db2.gz AHLXZFMSSWDVGP-CQSZACIVSA-N 2 1 236.403 2.449 20 0 BEADMP Cc1cc(C[NH2+]CC[C@H](C)[NH+](C)C)c(C)o1 ZINC000895296532 583641463 /nfs/dbraw/zinc/64/14/63/583641463.db2.gz OFFNPIJBTWIIIA-JTQLQIEISA-N 2 1 224.348 2.326 20 0 BEADMP CCc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2C)nc(CC)n1 ZINC000895734391 583717450 /nfs/dbraw/zinc/71/74/50/583717450.db2.gz LSONOUXOLLJVJJ-CMPLNLGQSA-N 2 1 248.374 2.106 20 0 BEADMP CCO[C@H](C[NH2+]C[C@H](C)CC(C)C)C[NH+](C)C ZINC000896880499 583845540 /nfs/dbraw/zinc/84/55/40/583845540.db2.gz WVKSPKIPUBGMOA-ZIAGYGMSSA-N 2 1 244.423 2.225 20 0 BEADMP F[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000865697172 584026854 /nfs/dbraw/zinc/02/68/54/584026854.db2.gz UKOXHEIBSBABER-SYQHCUMBSA-N 2 1 240.366 2.484 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897955908 584065798 /nfs/dbraw/zinc/06/57/98/584065798.db2.gz YYJBXBCBDMPSPL-IACUBPJLSA-N 2 1 245.370 2.426 20 0 BEADMP C[C@H](Cc1cccnc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000897966979 584069295 /nfs/dbraw/zinc/06/92/95/584069295.db2.gz IOAPUUDUYMOPGY-VNHYZAJKSA-N 2 1 247.386 2.085 20 0 BEADMP C[C@H](Cc1cccnc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000897966979 584069297 /nfs/dbraw/zinc/06/92/97/584069297.db2.gz IOAPUUDUYMOPGY-VNHYZAJKSA-N 2 1 247.386 2.085 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@@H+](C)CCC[C@H]1CCO1 ZINC000898307181 584109615 /nfs/dbraw/zinc/10/96/15/584109615.db2.gz UTBMTSDMHZABHK-ZDUSSCGKSA-N 2 1 242.407 2.075 20 0 BEADMP C[C@@H]1C[C@H]1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC000898307722 584109787 /nfs/dbraw/zinc/10/97/87/584109787.db2.gz GHZFSZFXTLSHEB-NEPJUHHUSA-N 2 1 212.381 2.162 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@@H+](C)CCC[C@@H]1CCO1 ZINC000898307179 584109792 /nfs/dbraw/zinc/10/97/92/584109792.db2.gz UTBMTSDMHZABHK-CYBMUJFWSA-N 2 1 242.407 2.075 20 0 BEADMP Cc1[nH+]c(N)ccc1-c1ccc2c(c1)C[C@@H]([NH3+])C2 ZINC000899324342 584196416 /nfs/dbraw/zinc/19/64/16/584196416.db2.gz VTEHGQHCDWZHAO-ZDUSSCGKSA-N 2 1 239.322 2.065 20 0 BEADMP CNc1ccccc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000902026806 584513193 /nfs/dbraw/zinc/51/31/93/584513193.db2.gz QAXHDMNIZCHRDO-UHFFFAOYSA-N 2 1 249.402 2.406 20 0 BEADMP CC[C@H]([NH2+]CC1([NH3+])CC1)c1ccsc1 ZINC000902407215 584574973 /nfs/dbraw/zinc/57/49/73/584574973.db2.gz QCZPOEXGDPXYRE-JTQLQIEISA-N 2 1 210.346 2.280 20 0 BEADMP COc1cc(C)c([C@H](C)[NH2+]CC2([NH3+])CC2)cc1C ZINC000902404814 584588813 /nfs/dbraw/zinc/58/88/13/584588813.db2.gz FGQDSFGGOPKWTD-LBPRGKRZSA-N 2 1 248.370 2.454 20 0 BEADMP C[C@H]([NH2+]CC1([NH3+])CC1)[C@@H](C)c1ccccc1 ZINC000902415357 584589601 /nfs/dbraw/zinc/58/96/01/584589601.db2.gz FINBUPUOOCQYJM-NEPJUHHUSA-N 2 1 218.344 2.260 20 0 BEADMP C[C@@H]([NH2+]CC1([NH3+])CC1)[C@@H](C)c1ccccc1 ZINC000902415360 584589859 /nfs/dbraw/zinc/58/98/59/584589859.db2.gz FINBUPUOOCQYJM-VXGBXAGGSA-N 2 1 218.344 2.260 20 0 BEADMP [NH3+]C1(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000902415877 584590458 /nfs/dbraw/zinc/59/04/58/584590458.db2.gz LRLWPHOTNUJQRO-GFCCVEGCSA-N 2 1 236.746 2.408 20 0 BEADMP CC[C@H]([NH2+]CC1([NH3+])CC1)c1cccs1 ZINC000902416680 584590580 /nfs/dbraw/zinc/59/05/80/584590580.db2.gz WFPIXMWZPJJKJA-VIFPVBQESA-N 2 1 210.346 2.280 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]CC2([NH3+])CC2)cc1C ZINC000902416649 584590640 /nfs/dbraw/zinc/59/06/40/584590640.db2.gz VLHAWGKZDIZHJR-LBPRGKRZSA-N 2 1 218.344 2.445 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)C1CC1 ZINC000902432263 584595415 /nfs/dbraw/zinc/59/54/15/584595415.db2.gz PFMXRCLYDVDATA-PWSUYJOCSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H](CCc1ccco1)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902444348 584599203 /nfs/dbraw/zinc/59/92/03/584599203.db2.gz HCJZIBXUVKVOLH-AAEUAGOBSA-N 2 1 236.359 2.188 20 0 BEADMP Cc1cccc([C@@H](C)[NH2+]CC2([NH3+])CC2)c1 ZINC000902415085 584600866 /nfs/dbraw/zinc/60/08/66/584600866.db2.gz KZLXBZBXDFWPFP-LLVKDONJSA-N 2 1 204.317 2.137 20 0 BEADMP C[C@H](CCc1ccccc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473152 584601103 /nfs/dbraw/zinc/60/11/03/584601103.db2.gz SKFVLCCXPYXZMK-DMRZNYOFSA-N 2 1 244.382 2.490 20 0 BEADMP CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902472478 584601186 /nfs/dbraw/zinc/60/11/86/584601186.db2.gz AORHWIFDRGYLID-XUWVNRHRSA-N 2 1 244.382 2.490 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902448367 584605607 /nfs/dbraw/zinc/60/56/07/584605607.db2.gz ZTPDAMRZIANBNI-ZZIFITQXSA-N 2 1 240.416 2.143 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCCC(C)(C)O1)[C@H]1CCC[NH2+]1 ZINC000902461272 584611613 /nfs/dbraw/zinc/61/16/13/584611613.db2.gz NLYXXBHELCNDNC-JHJVBQTASA-N 2 1 240.391 2.064 20 0 BEADMP C[C@@H](Cc1cccs1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902466085 584613992 /nfs/dbraw/zinc/61/39/92/584613992.db2.gz JXZMLMMMWLJCDX-YRRQLQLVSA-N 2 1 236.384 2.162 20 0 BEADMP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902481814 584624000 /nfs/dbraw/zinc/62/40/00/584624000.db2.gz HHSTVEZBOGITNZ-UONOGXRCSA-N 2 1 242.407 2.169 20 0 BEADMP CCCC[C@H](COC)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902481864 584624073 /nfs/dbraw/zinc/62/40/73/584624073.db2.gz HLNTXJFTJCJTCG-UONOGXRCSA-N 2 1 242.407 2.313 20 0 BEADMP CC[C@H]([NH2+]CCc1cccnc1C)[C@@H]1CCC[NH2+]1 ZINC000902514338 584629429 /nfs/dbraw/zinc/62/94/29/584629429.db2.gz RYDUJLGEPIXUIM-GJZGRUSLSA-N 2 1 247.386 2.053 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902782857 584670793 /nfs/dbraw/zinc/67/07/93/584670793.db2.gz PFWCKJPATYNEQR-STQMWFEESA-N 2 1 233.359 2.360 20 0 BEADMP C[C@H]1C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903079325 584724368 /nfs/dbraw/zinc/72/43/68/584724368.db2.gz LXSOTDNWKYVAEN-QGZQTAFBSA-N 2 1 234.387 2.390 20 0 BEADMP CO[C@@H]1CCC[C@H]1[NH2+]CCC[N@@H+](C)CC(C)C ZINC000903195064 584734505 /nfs/dbraw/zinc/73/45/05/584734505.db2.gz URXUWRZKWLZSLO-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000903255239 584739667 /nfs/dbraw/zinc/73/96/67/584739667.db2.gz VHNHKFNLTLWMHO-IKKURHKOSA-N 2 1 222.376 2.103 20 0 BEADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000903255239 584739669 /nfs/dbraw/zinc/73/96/69/584739669.db2.gz VHNHKFNLTLWMHO-IKKURHKOSA-N 2 1 222.376 2.103 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000903319499 584746055 /nfs/dbraw/zinc/74/60/55/584746055.db2.gz VAKYJBIYYMWXEY-SIOPTORSSA-N 2 1 234.387 2.105 20 0 BEADMP CCC(CC)[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000903433045 584762156 /nfs/dbraw/zinc/76/21/56/584762156.db2.gz RXCGCYCSAXBLDE-NEPJUHHUSA-N 2 1 224.392 2.495 20 0 BEADMP Cc1cc([C@@H]2CCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)on1 ZINC000903431487 584762181 /nfs/dbraw/zinc/76/21/81/584762181.db2.gz WIASWHHAGBVQKS-AGIUHOORSA-N 2 1 249.358 2.247 20 0 BEADMP Cc1cc([C@H]2CCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)on1 ZINC000903431488 584762245 /nfs/dbraw/zinc/76/22/45/584762245.db2.gz WIASWHHAGBVQKS-FRRDWIJNSA-N 2 1 249.358 2.247 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903421306 584763905 /nfs/dbraw/zinc/76/39/05/584763905.db2.gz LCKBGZWSUJXKSI-CYBMUJFWSA-N 2 1 243.354 2.339 20 0 BEADMP C[N@H+](Cc1ccc2cc[nH]c2c1)[C@@H](C[NH3+])C1CC1 ZINC000903453123 584772726 /nfs/dbraw/zinc/77/27/26/584772726.db2.gz ZVFXFTSYCMAYGF-HNNXBMFYSA-N 2 1 243.354 2.337 20 0 BEADMP C[N@@H+](Cc1ccc2cc[nH]c2c1)[C@@H](C[NH3+])C1CC1 ZINC000903453123 584772727 /nfs/dbraw/zinc/77/27/27/584772727.db2.gz ZVFXFTSYCMAYGF-HNNXBMFYSA-N 2 1 243.354 2.337 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@@H+](Cc2ccccn2)C2CC2)C1 ZINC000903454588 584773109 /nfs/dbraw/zinc/77/31/09/584773109.db2.gz DHKOCSTVJVUSOW-QWHCGFSZSA-N 2 1 245.370 2.173 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000903454642 584773406 /nfs/dbraw/zinc/77/34/06/584773406.db2.gz GWOFIFIRWOCLNA-SNPRPXQTSA-N 2 1 245.370 2.074 20 0 BEADMP C([C@H]1CCC[NH2+]1)[N@@H+]1CCCC2(CCCC2)C1 ZINC000903455299 584773902 /nfs/dbraw/zinc/77/39/02/584773902.db2.gz SNJDIAGOTOOABO-CYBMUJFWSA-N 2 1 222.376 2.395 20 0 BEADMP C([C@H]1CCC[NH2+]1)[N@H+]1CCCC2(CCCC2)C1 ZINC000903455299 584773904 /nfs/dbraw/zinc/77/39/04/584773904.db2.gz SNJDIAGOTOOABO-CYBMUJFWSA-N 2 1 222.376 2.395 20 0 BEADMP c1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903481457 584778075 /nfs/dbraw/zinc/77/80/75/584778075.db2.gz CJBJEDADDKYCFZ-OAHLLOKOSA-N 2 1 244.382 2.493 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC2CC(C)C2)C1 ZINC000903716267 584794385 /nfs/dbraw/zinc/79/43/85/584794385.db2.gz LESVNSHWTXHJCB-PYNQCMFNSA-N 2 1 210.365 2.092 20 0 BEADMP CC1CC(C[N@H+]2CCCC[C@H]2CC[NH3+])C1 ZINC000903749394 584795142 /nfs/dbraw/zinc/79/51/42/584795142.db2.gz KKSXQKRTFKOEPS-BPCQOVAHSA-N 2 1 210.365 2.236 20 0 BEADMP C[NH2+]CCC[N@H+](C)Cc1ccccc1CF ZINC000903760399 584797026 /nfs/dbraw/zinc/79/70/26/584797026.db2.gz HCGKDBYCXJGWMO-UHFFFAOYSA-N 2 1 224.323 2.197 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1ccccc1CF ZINC000903760399 584797028 /nfs/dbraw/zinc/79/70/28/584797028.db2.gz HCGKDBYCXJGWMO-UHFFFAOYSA-N 2 1 224.323 2.197 20 0 BEADMP FC1(F)C[C@]12CC[N@@H+](C[C@H]1CCCC[NH2+]C1)C2 ZINC000903768792 584797771 /nfs/dbraw/zinc/79/77/71/584797771.db2.gz QVVYUOSUXMZFHI-RYUDHWBXSA-N 2 1 244.329 2.107 20 0 BEADMP CCOCC[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903812886 584803434 /nfs/dbraw/zinc/80/34/34/584803434.db2.gz ACGZUEKYPTXBDW-ZDUSSCGKSA-N 2 1 240.391 2.006 20 0 BEADMP C[C@]12C[N@@H+](C[C@H]3CCC[NH2+]C3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903826531 584804974 /nfs/dbraw/zinc/80/49/74/584804974.db2.gz LICRVMQQHILQMK-ARKGTOAJSA-N 2 1 246.398 2.130 20 0 BEADMP C[C@@H]1CSCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000903829229 584805611 /nfs/dbraw/zinc/80/56/11/584805611.db2.gz CLCZCZXQNJLULC-CHWSQXEVSA-N 2 1 242.432 2.204 20 0 BEADMP C[C@H]1CCOCC[N@H+]1CCCCCCC[NH3+] ZINC000903832940 584806170 /nfs/dbraw/zinc/80/61/70/584806170.db2.gz TYHNCYWUCZPFPH-ZDUSSCGKSA-N 2 1 228.380 2.006 20 0 BEADMP CC1(C)CC(C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])C1 ZINC000903857370 584809952 /nfs/dbraw/zinc/80/99/52/584809952.db2.gz DMNWKQIMDIMXPZ-GXTWGEPZSA-N 2 1 222.376 2.236 20 0 BEADMP CC1(C)CC(C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])C1 ZINC000903857370 584809953 /nfs/dbraw/zinc/80/99/53/584809953.db2.gz DMNWKQIMDIMXPZ-GXTWGEPZSA-N 2 1 222.376 2.236 20 0 BEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCCC1CCC1 ZINC000903860323 584811692 /nfs/dbraw/zinc/81/16/92/584811692.db2.gz QTPIKXDUYMRZEM-KGLIPLIRSA-N 2 1 222.376 2.380 20 0 BEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCCC1CCC1 ZINC000903860323 584811693 /nfs/dbraw/zinc/81/16/93/584811693.db2.gz QTPIKXDUYMRZEM-KGLIPLIRSA-N 2 1 222.376 2.380 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]([NH3+])CC(F)F)[C@@H]2CCCC[C@H]21 ZINC000903903514 584821246 /nfs/dbraw/zinc/82/12/46/584821246.db2.gz UXFQUUBPMLZLGQ-WISYIIOYSA-N 2 1 246.345 2.479 20 0 BEADMP C[N@@H+](C[C@H]1CC1(C)C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903932958 584824904 /nfs/dbraw/zinc/82/49/04/584824904.db2.gz IMPZCIDVLGNXAQ-CPIKKWJDSA-N 2 1 236.403 2.495 20 0 BEADMP N[C@H](CC(F)F)C[N@@H+](CC1CC1)CC1CCC1 ZINC000903917071 584827246 /nfs/dbraw/zinc/82/72/46/584827246.db2.gz KNAPCBYVCNCOCS-GFCCVEGCSA-N 2 1 246.345 2.481 20 0 BEADMP CC(C)[C@@H](C)[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904301265 584861512 /nfs/dbraw/zinc/86/15/12/584861512.db2.gz CLIAEIGYUNQZMN-UTUOFQBUSA-N 2 1 210.365 2.233 20 0 BEADMP CCC(CC)[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904307092 584862344 /nfs/dbraw/zinc/86/23/44/584862344.db2.gz KUWRAQGWZULUQT-PHIMTYICSA-N 2 1 210.365 2.377 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@@H+](C2CC2)C2CCCC2)C1 ZINC000904307780 584862413 /nfs/dbraw/zinc/86/24/13/584862413.db2.gz WHPWABYJKUVZSV-PHIMTYICSA-N 2 1 208.349 2.131 20 0 BEADMP C[N@@H+](CCc1ccc(F)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904311374 584862789 /nfs/dbraw/zinc/86/27/89/584862789.db2.gz AGTKHXAKRAKVSO-XBXGTLAGSA-N 2 1 236.334 2.037 20 0 BEADMP CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904311588 584863087 /nfs/dbraw/zinc/86/30/87/584863087.db2.gz FTNCTNYHNHPPHG-OKILXGFUSA-N 2 1 248.370 2.254 20 0 BEADMP C[C@H](C[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000904316554 584863253 /nfs/dbraw/zinc/86/32/53/584863253.db2.gz PRKMZBGTBHSTBQ-NFAWXSAZSA-N 2 1 232.371 2.459 20 0 BEADMP CCCO[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904320046 584863893 /nfs/dbraw/zinc/86/38/93/584863893.db2.gz BUGHFMUWJDRJHT-MJBXVCDLSA-N 2 1 240.391 2.005 20 0 BEADMP CC[C@@]1(C)CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904322098 584864760 /nfs/dbraw/zinc/86/47/60/584864760.db2.gz ONVCXOVRHDDGCV-XQQFMLRXSA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@]1(C)CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904322097 584864829 /nfs/dbraw/zinc/86/48/29/584864829.db2.gz ONVCXOVRHDDGCV-FRRDWIJNSA-N 2 1 210.365 2.236 20 0 BEADMP CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325958 584865579 /nfs/dbraw/zinc/86/55/79/584865579.db2.gz AAKKGWVSOXTOGV-QNWHQSFQSA-N 2 1 242.432 2.330 20 0 BEADMP CCCCC[N@@H+](CCCOC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904332558 584865955 /nfs/dbraw/zinc/86/59/55/584865955.db2.gz RNAXDQSPWJTAEL-OKILXGFUSA-N 2 1 242.407 2.252 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H]2CCCC[C@H]21 ZINC000904330684 584865962 /nfs/dbraw/zinc/86/59/62/584865962.db2.gz AKVGUKXDOOBUCG-PEBLQZBPSA-N 2 1 222.376 2.234 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)C1 ZINC000904335366 584866387 /nfs/dbraw/zinc/86/63/87/584866387.db2.gz CUWGBKYOZNGKNO-OSAQELSMSA-N 2 1 246.354 2.266 20 0 BEADMP C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC12CCC2 ZINC000904345424 584868352 /nfs/dbraw/zinc/86/83/52/584868352.db2.gz DFOYSOGKAGCAIU-RWMBFGLXSA-N 2 1 222.376 2.236 20 0 BEADMP C[C@@]1(C[N@H+]2CC[C@H](C3CCC3)C2)CCC[NH2+]C1 ZINC000904372695 584873660 /nfs/dbraw/zinc/87/36/60/584873660.db2.gz GRIGVQYNELRCEF-LSDHHAIUSA-N 2 1 236.403 2.498 20 0 BEADMP C[C@]1(C[N@H+]2CC[C@H](C3CCC3)C2)CCC[NH2+]C1 ZINC000904372693 584873924 /nfs/dbraw/zinc/87/39/24/584873924.db2.gz GRIGVQYNELRCEF-GJZGRUSLSA-N 2 1 236.403 2.498 20 0 BEADMP C[C@]1(C[N@H+]2CC[C@]3(CC3(F)F)C2)CCC[NH2+]C1 ZINC000904376393 584875884 /nfs/dbraw/zinc/87/58/84/584875884.db2.gz QZXLEBZYUFDQND-RYUDHWBXSA-N 2 1 244.329 2.107 20 0 BEADMP C[C@]1(C[N@H+]2CC[C@@]3(CC3(F)F)C2)CCC[NH2+]C1 ZINC000904376392 584876338 /nfs/dbraw/zinc/87/63/38/584876338.db2.gz QZXLEBZYUFDQND-NWDGAFQWSA-N 2 1 244.329 2.107 20 0 BEADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000904406508 584878408 /nfs/dbraw/zinc/87/84/08/584878408.db2.gz XMZPOFUAJMLHHK-BPUTZDHNSA-N 2 1 244.382 2.461 20 0 BEADMP CSCCCCCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000817921851 584991261 /nfs/dbraw/zinc/99/12/61/584991261.db2.gz JBQPJKGZGABRKG-QWHCGFSZSA-N 2 1 244.448 2.497 20 0 BEADMP CCOc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])c1 ZINC000817977572 584994091 /nfs/dbraw/zinc/99/40/91/584994091.db2.gz KTRWHKKLJSNFTQ-WOPDTQHZSA-N 2 1 236.359 2.472 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CC(C(F)F)C2)C1 ZINC000839183214 585096625 /nfs/dbraw/zinc/09/66/25/585096625.db2.gz UWYCUEQGVCMOAA-VOMCLLRMSA-N 2 1 246.345 2.352 20 0 BEADMP FC(F)C1CC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000768675890 585541732 /nfs/dbraw/zinc/54/17/32/585541732.db2.gz WXYOZPMIVMYVHX-KPPDAEKUSA-N 2 1 244.329 2.104 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CC(C(F)F)C2)C1 ZINC000768691190 585541824 /nfs/dbraw/zinc/54/18/24/585541824.db2.gz ZWOLGCWKCSVUNX-UNXYVOJBSA-N 2 1 246.345 2.352 20 0 BEADMP CCCC[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000769663939 585561392 /nfs/dbraw/zinc/56/13/92/585561392.db2.gz ZWRBHEANVHYNMM-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP CCCC[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000769663939 585561393 /nfs/dbraw/zinc/56/13/93/585561393.db2.gz ZWRBHEANVHYNMM-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP CCCC[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000769663939 585561394 /nfs/dbraw/zinc/56/13/94/585561394.db2.gz ZWRBHEANVHYNMM-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H](CCO)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000779343868 585752127 /nfs/dbraw/zinc/75/21/27/585752127.db2.gz UOQCTLMNCILRJZ-ZDUSSCGKSA-N 2 1 242.407 2.002 20 0 BEADMP CCC[C@@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782185115 585810996 /nfs/dbraw/zinc/81/09/96/585810996.db2.gz WXJVZLFSHZAKJY-GFCCVEGCSA-N 2 1 212.381 2.449 20 0 BEADMP CC(C)(C[NH2+]Cc1ccoc1)C[NH+]1CCCC1 ZINC000791011058 585972234 /nfs/dbraw/zinc/97/22/34/585972234.db2.gz LORMYRXZTGQEII-UHFFFAOYSA-N 2 1 236.359 2.491 20 0 BEADMP CC[N@H+](CC[NH2+][C@H]1CCC[C@H](OC)C1)C(C)C ZINC000792950024 586007700 /nfs/dbraw/zinc/00/77/00/586007700.db2.gz GJPFXTUFHAHHTM-KBPBESRZSA-N 2 1 242.407 2.264 20 0 BEADMP CC[N@@H+](CC[NH2+][C@H]1CCC[C@H](OC)C1)C(C)C ZINC000792950024 586007701 /nfs/dbraw/zinc/00/77/01/586007701.db2.gz GJPFXTUFHAHHTM-KBPBESRZSA-N 2 1 242.407 2.264 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000810245110 586537483 /nfs/dbraw/zinc/53/74/83/586537483.db2.gz RQUBYOQKQUMQMK-MELADBBJSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000810245110 586537484 /nfs/dbraw/zinc/53/74/84/586537484.db2.gz RQUBYOQKQUMQMK-MELADBBJSA-N 2 1 242.407 2.120 20 0 BEADMP CN1CCC[C@@]2(CC[N@@H+](C[Si](C)(C)C)C2)C1 ZINC000815146611 586670131 /nfs/dbraw/zinc/67/01/31/586670131.db2.gz SZLSANBDHOHGCY-CYBMUJFWSA-N 2 1 240.467 2.282 20 0 BEADMP C[N@@H+]1CCC[C@@]2(CC[NH+](C[Si](C)(C)C)C2)C1 ZINC000815146611 586670132 /nfs/dbraw/zinc/67/01/32/586670132.db2.gz SZLSANBDHOHGCY-CYBMUJFWSA-N 2 1 240.467 2.282 20 0 BEADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[Si](C)(C)C)C2)C1 ZINC000815146611 586670133 /nfs/dbraw/zinc/67/01/33/586670133.db2.gz SZLSANBDHOHGCY-CYBMUJFWSA-N 2 1 240.467 2.282 20 0 BEADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[Si](C)(C)C)C2)C1 ZINC000815146611 586670134 /nfs/dbraw/zinc/67/01/34/586670134.db2.gz SZLSANBDHOHGCY-CYBMUJFWSA-N 2 1 240.467 2.282 20 0 BEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[Si](C)(C)C)C2)C1 ZINC000815146611 586670135 /nfs/dbraw/zinc/67/01/35/586670135.db2.gz SZLSANBDHOHGCY-CYBMUJFWSA-N 2 1 240.467 2.282 20 0 BEADMP CC[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000815145980 586670299 /nfs/dbraw/zinc/67/02/99/586670299.db2.gz JQYNLQZIKSDWAC-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP Cc1cc(Cl)nc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000817929564 586842218 /nfs/dbraw/zinc/84/22/18/586842218.db2.gz IJHFBSPHYJAQJG-ZJUUUORDSA-N 2 1 241.766 2.259 20 0 BEADMP C[C@@H](CSC(C)(C)C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000817951663 586847944 /nfs/dbraw/zinc/84/79/44/586847944.db2.gz JBSIXHJOFIFLIV-QWRGUYRKSA-N 2 1 230.421 2.248 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000817957694 586850776 /nfs/dbraw/zinc/85/07/76/586850776.db2.gz DQSDVSNENXZTRS-SMDDNHRTSA-N 2 1 248.370 2.255 20 0 BEADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccnc(Cl)c1 ZINC000817959964 586851141 /nfs/dbraw/zinc/85/11/41/586851141.db2.gz INKLQZKVTFYSKB-QMMMGPOBSA-N 2 1 227.739 2.123 20 0 BEADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc2c(c1)CCO2 ZINC000817959104 586851265 /nfs/dbraw/zinc/85/12/65/586851265.db2.gz CGKIJAZJVNYGFR-QMTHXVAHSA-N 2 1 246.354 2.009 20 0 BEADMP CCOc1cccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000817965469 586853798 /nfs/dbraw/zinc/85/37/98/586853798.db2.gz QZLWXVHDBSOOSD-NHYWBVRUSA-N 2 1 248.370 2.473 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000817969651 586856371 /nfs/dbraw/zinc/85/63/71/586856371.db2.gz FWZNGOLXWJWSNF-FZMZJTMJSA-N 2 1 218.344 2.465 20 0 BEADMP COc1cc(C)c([C@H](C)[NH2+][C@@H](C)C[NH3+])cc1C ZINC000817970032 586856620 /nfs/dbraw/zinc/85/66/20/586856620.db2.gz JSYOZTFHSUTDIL-RYUDHWBXSA-N 2 1 236.359 2.310 20 0 BEADMP CCOc1cccc([C@H](C)[NH2+][C@@H](C)C[NH3+])c1 ZINC000817970246 586857397 /nfs/dbraw/zinc/85/73/97/586857397.db2.gz PHZHFYRRJTVTMM-QWRGUYRKSA-N 2 1 222.332 2.083 20 0 BEADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC000818340733 586887533 /nfs/dbraw/zinc/88/75/33/586887533.db2.gz RWFZFOLRABRYEQ-GHMZBOCLSA-N 2 1 239.750 2.095 20 0 BEADMP Cc1[nH+]cn(CCCCCCC[NH3+])c1C ZINC000830356243 587547455 /nfs/dbraw/zinc/54/74/55/587547455.db2.gz XSPDVGKMOSKREB-UHFFFAOYSA-N 2 1 209.337 2.409 20 0 BEADMP [NH3+]CCC[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000841011561 587935244 /nfs/dbraw/zinc/93/52/44/587935244.db2.gz RMOMTQLIBSUWCD-ZDUSSCGKSA-N 2 1 240.297 2.451 20 0 BEADMP [NH3+]CCC[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000841011561 587935245 /nfs/dbraw/zinc/93/52/45/587935245.db2.gz RMOMTQLIBSUWCD-ZDUSSCGKSA-N 2 1 240.297 2.451 20 0 BEADMP CC(C)([NH3+])C[NH2+]Cc1cnc2ccccc2c1 ZINC000841029795 587935906 /nfs/dbraw/zinc/93/59/06/587935906.db2.gz AUYIQCBKZSKDGD-UHFFFAOYSA-N 2 1 229.327 2.062 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1cc(C)c(OC)c(C)c1 ZINC000841071154 587943092 /nfs/dbraw/zinc/94/30/92/587943092.db2.gz ZBEFMYJYKUDVFX-ZDUSSCGKSA-N 2 1 236.359 2.139 20 0 BEADMP C[C@@H]([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)[C@H](C)[NH3+] ZINC000841076886 587944208 /nfs/dbraw/zinc/94/42/08/587944208.db2.gz RZTHYHALRZYSIJ-WDEREUQCSA-N 2 1 248.370 2.225 20 0 BEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cncc2ccccc21 ZINC000841076731 587944446 /nfs/dbraw/zinc/94/44/46/587944446.db2.gz NIKLTQSTDDILIP-MNOVXSKESA-N 2 1 229.327 2.060 20 0 BEADMP Cc1cccc2c1CC[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000842472353 588028794 /nfs/dbraw/zinc/02/87/94/588028794.db2.gz XFYHCSVUDFPNKB-CQSZACIVSA-N 2 1 244.382 2.353 20 0 BEADMP Cc1cccc2c1CC[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000843064550 588078628 /nfs/dbraw/zinc/07/86/28/588078628.db2.gz XDMARQWSIWMTEU-AWEZNQCLSA-N 2 1 244.382 2.353 20 0 BEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccnc(Cl)c1 ZINC000843356108 588103138 /nfs/dbraw/zinc/10/31/38/588103138.db2.gz QVKAEVXEGLATDN-GFCCVEGCSA-N 2 1 241.766 2.198 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H]1C ZINC000845997130 588252436 /nfs/dbraw/zinc/25/24/36/588252436.db2.gz VBDZVUWRSLLURG-STQMWFEESA-N 2 1 212.381 2.352 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000846220375 588261062 /nfs/dbraw/zinc/26/10/62/588261062.db2.gz HOFSEUPKUYPSEN-AWEZNQCLSA-N 2 1 247.386 2.390 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000846222269 588261543 /nfs/dbraw/zinc/26/15/43/588261543.db2.gz BZSONFOJMFBLQC-HNNXBMFYSA-N 2 1 247.386 2.390 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000846223723 588261807 /nfs/dbraw/zinc/26/18/07/588261807.db2.gz MRZVMZSIOFAEKO-GFCCVEGCSA-N 2 1 236.363 2.066 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000846222270 588261839 /nfs/dbraw/zinc/26/18/39/588261839.db2.gz BZSONFOJMFBLQC-OAHLLOKOSA-N 2 1 247.386 2.390 20 0 BEADMP CC[N@H+](CC[NH2+]C1CC(CF)(CF)C1)C(C)C ZINC000850430892 588545982 /nfs/dbraw/zinc/54/59/82/588545982.db2.gz WILREHDYJUKFRU-UHFFFAOYSA-N 2 1 248.361 2.394 20 0 BEADMP CC[N@@H+](CC[NH2+]C1CC(CF)(CF)C1)C(C)C ZINC000850430892 588545983 /nfs/dbraw/zinc/54/59/83/588545983.db2.gz WILREHDYJUKFRU-UHFFFAOYSA-N 2 1 248.361 2.394 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C=CCC2)[C@H]2CCC[C@@H]21 ZINC000850506203 588552920 /nfs/dbraw/zinc/55/29/20/588552920.db2.gz CLCOFTAKLSGUJG-MQYQWHSLSA-N 2 1 220.360 2.167 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C=CCC2)[C@@H](C)C1 ZINC000850512182 588555841 /nfs/dbraw/zinc/55/58/41/588555841.db2.gz XFVUSODSKGYYES-XQQFMLRXSA-N 2 1 208.349 2.025 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C=CCC2)[C@H](C)C1 ZINC000850512181 588556040 /nfs/dbraw/zinc/55/60/40/588556040.db2.gz XFVUSODSKGYYES-UPJWGTAASA-N 2 1 208.349 2.025 20 0 BEADMP C[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C1CC(F)(F)C1 ZINC000862271957 589198020 /nfs/dbraw/zinc/19/80/20/589198020.db2.gz GKUMHMCBKZFXLS-CABZTGNLSA-N 2 1 246.345 2.350 20 0 BEADMP CC(C)[C@H]1CC[C@@H]1[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000863546712 589296284 /nfs/dbraw/zinc/29/62/84/589296284.db2.gz MZVLZKLQHUQNNS-XQHKEYJVSA-N 2 1 210.365 2.151 20 0 BEADMP C[C@@H]([NH3+])C[N@H+](C)CC[C@H]1CCc2ccccc21 ZINC000863569130 589300305 /nfs/dbraw/zinc/30/03/05/589300305.db2.gz SDFTWCNTNVEOCI-TZMCWYRMSA-N 2 1 232.371 2.386 20 0 BEADMP C[C@@H]([NH3+])C[N@@H+](C)CC[C@H]1CCc2ccccc21 ZINC000863569130 589300306 /nfs/dbraw/zinc/30/03/06/589300306.db2.gz SDFTWCNTNVEOCI-TZMCWYRMSA-N 2 1 232.371 2.386 20 0 BEADMP CC(C)([NH3+])C[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863652394 589307652 /nfs/dbraw/zinc/30/76/52/589307652.db2.gz QVPRPHPGOYUFKA-SOUVJXGZSA-N 2 1 244.382 2.459 20 0 BEADMP Cc1c[nH+]ccc1N1CC[N@H+](C)C(C)(C)CC1 ZINC000866112886 589477249 /nfs/dbraw/zinc/47/72/49/589477249.db2.gz NEPVLOPQAHTDDV-UHFFFAOYSA-N 2 1 233.359 2.311 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2F)CC[N@@H+]1C ZINC000866449554 589493741 /nfs/dbraw/zinc/49/37/41/589493741.db2.gz DHMKHQAICNLNSD-MROQNXINSA-N 2 1 228.355 2.339 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2F)CC[N@H+]1C ZINC000866449554 589493742 /nfs/dbraw/zinc/49/37/42/589493742.db2.gz DHMKHQAICNLNSD-MROQNXINSA-N 2 1 228.355 2.339 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](SC)C2)[C@H](C)C1 ZINC000866486622 589496267 /nfs/dbraw/zinc/49/62/67/589496267.db2.gz MPAZCTVLTBBWCJ-LPWJVIDDSA-N 2 1 242.432 2.200 20 0 BEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC000866665703 589509417 /nfs/dbraw/zinc/50/94/17/589509417.db2.gz ZLZKIEMWXZWDGC-NSHDSACASA-N 2 1 249.358 2.113 20 0 BEADMP C(CC1CC1)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000866665835 589509501 /nfs/dbraw/zinc/50/95/01/589509501.db2.gz IKVXVEQVBAKNSF-CQSZACIVSA-N 2 1 222.376 2.252 20 0 BEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000866665315 589509575 /nfs/dbraw/zinc/50/95/75/589509575.db2.gz BFYFCVDJUCDWQM-NEPJUHHUSA-N 2 1 242.407 2.155 20 0 BEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC2CCC2)C1 ZINC000866703582 589513580 /nfs/dbraw/zinc/51/35/80/589513580.db2.gz KBROADZITSRMRS-AWEZNQCLSA-N 2 1 224.392 2.483 20 0 BEADMP CCSCC[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705018 589514131 /nfs/dbraw/zinc/51/41/31/589514131.db2.gz RTWFRNDWAQDMMD-ZDUSSCGKSA-N 2 1 244.448 2.436 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866706698 589514637 /nfs/dbraw/zinc/51/46/37/589514637.db2.gz CBRCWGPTCHANEN-BZPMIXESSA-N 2 1 224.392 2.339 20 0 BEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C/C=C/Cl)C1 ZINC000866709048 589514719 /nfs/dbraw/zinc/51/47/19/589514719.db2.gz VKOVQWUPUDWHBJ-FVOPLDGLSA-N 2 1 230.783 2.436 20 0 BEADMP C[N@H+](Cc1ccc2cc[nH]c2c1)C[C@H]1CC[NH2+]C1 ZINC000866717786 589514975 /nfs/dbraw/zinc/51/49/75/589514975.db2.gz OYRVFUYAKYPBOD-ZDUSSCGKSA-N 2 1 243.354 2.209 20 0 BEADMP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000866721343 589515501 /nfs/dbraw/zinc/51/55/01/589515501.db2.gz VARVPWKHQDWJOJ-CQSZACIVSA-N 2 1 233.359 2.136 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000866721343 589515503 /nfs/dbraw/zinc/51/55/03/589515503.db2.gz VARVPWKHQDWJOJ-CQSZACIVSA-N 2 1 233.359 2.136 20 0 BEADMP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866726318 589516508 /nfs/dbraw/zinc/51/65/08/589516508.db2.gz YRZBNYHVACDMBS-SEBNEYGDSA-N 2 1 234.387 2.249 20 0 BEADMP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866726318 589516509 /nfs/dbraw/zinc/51/65/09/589516509.db2.gz YRZBNYHVACDMBS-SEBNEYGDSA-N 2 1 234.387 2.249 20 0 BEADMP CC(C)CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785560 589818476 /nfs/dbraw/zinc/81/84/76/589818476.db2.gz VVTHPNIXQUSQFU-YOGCLGLASA-N 2 1 239.363 2.014 20 0 BEADMP CC(C)CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785560 589818477 /nfs/dbraw/zinc/81/84/77/589818477.db2.gz VVTHPNIXQUSQFU-YOGCLGLASA-N 2 1 239.363 2.014 20 0 BEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC2(F)CC2)C1 ZINC000873223611 590000478 /nfs/dbraw/zinc/00/04/78/590000478.db2.gz PAXHFJNCPOQFFM-LBPRGKRZSA-N 2 1 228.355 2.185 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC[C@@H]1C=CCC1 ZINC000873283035 590019472 /nfs/dbraw/zinc/01/94/72/590019472.db2.gz YLHGYVWQIBUJBX-MGPQQGTHSA-N 2 1 222.376 2.320 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]C[C@@H]2CC2(Cl)Cl)CC1 ZINC000877137899 590290982 /nfs/dbraw/zinc/29/09/82/590290982.db2.gz FAZDRPBFTNJRFR-JTQLQIEISA-N 2 1 249.185 2.032 20 0 BEADMP CSC(C)(C)CC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000877483044 590337946 /nfs/dbraw/zinc/33/79/46/590337946.db2.gz JBVXGYDNXJVBIR-TXEJJXNPSA-N 2 1 242.432 2.012 20 0 BEADMP CSC(C)(C)CC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000877483044 590337948 /nfs/dbraw/zinc/33/79/48/590337948.db2.gz JBVXGYDNXJVBIR-TXEJJXNPSA-N 2 1 242.432 2.012 20 0 BEADMP CSC(C)(C)CC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000877483044 590337951 /nfs/dbraw/zinc/33/79/51/590337951.db2.gz JBVXGYDNXJVBIR-TXEJJXNPSA-N 2 1 242.432 2.012 20 0 BEADMP CSC(C)(C)CC[N@@H+](C)CCC[NH+](C)C ZINC000877522644 590346411 /nfs/dbraw/zinc/34/64/11/590346411.db2.gz QKVGNHVEKBWSNG-UHFFFAOYSA-N 2 1 232.437 2.402 20 0 BEADMP CSC(C)(C)CC[N@H+]1CCn2cncc2C1 ZINC000877540023 590350734 /nfs/dbraw/zinc/35/07/34/590350734.db2.gz XHFXONFIKVOEBZ-UHFFFAOYSA-N 2 1 239.388 2.230 20 0 BEADMP CSC(C)(C)CCN1CCn2cncc2C1 ZINC000877540023 590350737 /nfs/dbraw/zinc/35/07/37/590350737.db2.gz XHFXONFIKVOEBZ-UHFFFAOYSA-N 2 1 239.388 2.230 20 0 BEADMP CCC[C@H](C)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877738216 590405124 /nfs/dbraw/zinc/40/51/24/590405124.db2.gz APNSKCTVGOEVJM-IHRRRGAJSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877738216 590405125 /nfs/dbraw/zinc/40/51/25/590405125.db2.gz APNSKCTVGOEVJM-IHRRRGAJSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877738216 590405128 /nfs/dbraw/zinc/40/51/28/590405128.db2.gz APNSKCTVGOEVJM-IHRRRGAJSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877738216 590405130 /nfs/dbraw/zinc/40/51/30/590405130.db2.gz APNSKCTVGOEVJM-IHRRRGAJSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877738218 590405714 /nfs/dbraw/zinc/40/57/14/590405714.db2.gz APNSKCTVGOEVJM-MELADBBJSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877738218 590405717 /nfs/dbraw/zinc/40/57/17/590405717.db2.gz APNSKCTVGOEVJM-MELADBBJSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877738218 590405719 /nfs/dbraw/zinc/40/57/19/590405719.db2.gz APNSKCTVGOEVJM-MELADBBJSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877738218 590405721 /nfs/dbraw/zinc/40/57/21/590405721.db2.gz APNSKCTVGOEVJM-MELADBBJSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@H](C)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877742959 590407867 /nfs/dbraw/zinc/40/78/67/590407867.db2.gz SHYKWBFDSJOVBK-XQQFMLRXSA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@H](C)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877742959 590407870 /nfs/dbraw/zinc/40/78/70/590407870.db2.gz SHYKWBFDSJOVBK-XQQFMLRXSA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@H](C)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877742959 590407873 /nfs/dbraw/zinc/40/78/73/590407873.db2.gz SHYKWBFDSJOVBK-XQQFMLRXSA-N 2 1 210.365 2.059 20 0 BEADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccs3)CC[C@H]21 ZINC000877742524 590409367 /nfs/dbraw/zinc/40/93/67/590409367.db2.gz DQLQQURZVXIWOY-WCQYABFASA-N 2 1 236.384 2.274 20 0 BEADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccs3)CC[C@H]21 ZINC000877742524 590409368 /nfs/dbraw/zinc/40/93/68/590409368.db2.gz DQLQQURZVXIWOY-WCQYABFASA-N 2 1 236.384 2.274 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccs3)CC[C@H]21 ZINC000877742524 590409369 /nfs/dbraw/zinc/40/93/69/590409369.db2.gz DQLQQURZVXIWOY-WCQYABFASA-N 2 1 236.384 2.274 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccs3)CC[C@H]21 ZINC000877742524 590409370 /nfs/dbraw/zinc/40/93/70/590409370.db2.gz DQLQQURZVXIWOY-WCQYABFASA-N 2 1 236.384 2.274 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(C)(C)C)CC[C@@H]21 ZINC000877743363 590411770 /nfs/dbraw/zinc/41/17/70/590411770.db2.gz VIQJSJHFHGUSRR-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(C)(C)C)CC[C@@H]21 ZINC000877743363 590411771 /nfs/dbraw/zinc/41/17/71/590411771.db2.gz VIQJSJHFHGUSRR-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(C)(C)C)CC[C@@H]21 ZINC000877743363 590411774 /nfs/dbraw/zinc/41/17/74/590411774.db2.gz VIQJSJHFHGUSRR-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@@H]21 ZINC000877743363 590411775 /nfs/dbraw/zinc/41/17/75/590411775.db2.gz VIQJSJHFHGUSRR-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CC=CCC3)CC[C@@H]21 ZINC000877744738 590413269 /nfs/dbraw/zinc/41/32/69/590413269.db2.gz XKIXHXYCAFRVAQ-ZNMIVQPWSA-N 2 1 234.387 2.369 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CC=CCC3)CC[C@@H]21 ZINC000877744738 590413271 /nfs/dbraw/zinc/41/32/71/590413271.db2.gz XKIXHXYCAFRVAQ-ZNMIVQPWSA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CC=CCC3)CC[C@@H]21 ZINC000877744738 590413273 /nfs/dbraw/zinc/41/32/73/590413273.db2.gz XKIXHXYCAFRVAQ-ZNMIVQPWSA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CC=CCC3)CC[C@@H]21 ZINC000877744738 590413274 /nfs/dbraw/zinc/41/32/74/590413274.db2.gz XKIXHXYCAFRVAQ-ZNMIVQPWSA-N 2 1 234.387 2.369 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC3CCC3)CC[C@@H]21 ZINC000879580084 590816420 /nfs/dbraw/zinc/81/64/20/590816420.db2.gz RETARBYKRJESBU-KGLIPLIRSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CCC3CCC3)CC[C@@H]21 ZINC000879580084 590816422 /nfs/dbraw/zinc/81/64/22/590816422.db2.gz RETARBYKRJESBU-KGLIPLIRSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CCC3CCC3)CC[C@@H]21 ZINC000879580084 590816425 /nfs/dbraw/zinc/81/64/25/590816425.db2.gz RETARBYKRJESBU-KGLIPLIRSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC3CCC3)CC[C@@H]21 ZINC000879580084 590816429 /nfs/dbraw/zinc/81/64/29/590816429.db2.gz RETARBYKRJESBU-KGLIPLIRSA-N 2 1 222.376 2.203 20 0 BEADMP CC(C)=CCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580571 590819901 /nfs/dbraw/zinc/81/99/01/590819901.db2.gz UEJIFKYVDXAQQZ-UONOGXRCSA-N 2 1 222.376 2.369 20 0 BEADMP CC(C)=CCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580571 590819898 /nfs/dbraw/zinc/81/98/98/590819898.db2.gz UEJIFKYVDXAQQZ-UONOGXRCSA-N 2 1 222.376 2.369 20 0 BEADMP CC(C)=CCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580571 590819904 /nfs/dbraw/zinc/81/99/04/590819904.db2.gz UEJIFKYVDXAQQZ-UONOGXRCSA-N 2 1 222.376 2.369 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580571 590819907 /nfs/dbraw/zinc/81/99/07/590819907.db2.gz UEJIFKYVDXAQQZ-UONOGXRCSA-N 2 1 222.376 2.369 20 0 BEADMP CC(C)SCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879581499 590820104 /nfs/dbraw/zinc/82/01/04/590820104.db2.gz LLFLWHRGBMQOHI-STQMWFEESA-N 2 1 242.432 2.154 20 0 BEADMP CC(C)SCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879581499 590820109 /nfs/dbraw/zinc/82/01/09/590820109.db2.gz LLFLWHRGBMQOHI-STQMWFEESA-N 2 1 242.432 2.154 20 0 BEADMP CC(C)SCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879581499 590820111 /nfs/dbraw/zinc/82/01/11/590820111.db2.gz LLFLWHRGBMQOHI-STQMWFEESA-N 2 1 242.432 2.154 20 0 BEADMP CC(C)SCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879581499 590820117 /nfs/dbraw/zinc/82/01/17/590820117.db2.gz LLFLWHRGBMQOHI-STQMWFEESA-N 2 1 242.432 2.154 20 0 BEADMP CC(C)=CCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580570 590820924 /nfs/dbraw/zinc/82/09/24/590820924.db2.gz UEJIFKYVDXAQQZ-KGLIPLIRSA-N 2 1 222.376 2.369 20 0 BEADMP CC(C)=CCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580570 590820927 /nfs/dbraw/zinc/82/09/27/590820927.db2.gz UEJIFKYVDXAQQZ-KGLIPLIRSA-N 2 1 222.376 2.369 20 0 BEADMP CC(C)=CCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580570 590820932 /nfs/dbraw/zinc/82/09/32/590820932.db2.gz UEJIFKYVDXAQQZ-KGLIPLIRSA-N 2 1 222.376 2.369 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580570 590820935 /nfs/dbraw/zinc/82/09/35/590820935.db2.gz UEJIFKYVDXAQQZ-KGLIPLIRSA-N 2 1 222.376 2.369 20 0 BEADMP Cc1ccc(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3C)nc1 ZINC000880138548 590939195 /nfs/dbraw/zinc/93/91/95/590939195.db2.gz YJCCXXNXWBVLRS-GJZGRUSLSA-N 2 1 245.370 2.059 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCCN3C)nc1 ZINC000880138548 590939198 /nfs/dbraw/zinc/93/91/98/590939198.db2.gz YJCCXXNXWBVLRS-GJZGRUSLSA-N 2 1 245.370 2.059 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C)nc1 ZINC000880138548 590939201 /nfs/dbraw/zinc/93/92/01/590939201.db2.gz YJCCXXNXWBVLRS-GJZGRUSLSA-N 2 1 245.370 2.059 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259552 590980437 /nfs/dbraw/zinc/98/04/37/590980437.db2.gz WAPLJJHDWAPPTG-RDBSUJKOSA-N 2 1 245.370 2.248 20 0 BEADMP C[N@@H+](CC[C@@H]1CCCC1(F)F)C1CC[NH2+]CC1 ZINC000883416133 591652704 /nfs/dbraw/zinc/65/27/04/591652704.db2.gz MMEKMQOXZAHTHW-NSHDSACASA-N 2 1 246.345 2.496 20 0 BEADMP C[C@]1(C[NH3+])CC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883428199 591660162 /nfs/dbraw/zinc/66/01/62/591660162.db2.gz NXIVYRLGDRRYBW-NWDGAFQWSA-N 2 1 246.345 2.483 20 0 BEADMP C[C@@]1(C[NH3+])CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883428198 591660397 /nfs/dbraw/zinc/66/03/97/591660397.db2.gz NXIVYRLGDRRYBW-NEPJUHHUSA-N 2 1 246.345 2.483 20 0 BEADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCC2(F)F)C[C@H]1C[NH3+] ZINC000883438457 591667408 /nfs/dbraw/zinc/66/74/08/591667408.db2.gz TVOVWDFZRADSPR-IJLUTSLNSA-N 2 1 246.345 2.339 20 0 BEADMP CC1(C)C[N@@H+](CCCCCC[NH3+])CCS1 ZINC000133330382 591788113 /nfs/dbraw/zinc/78/81/13/591788113.db2.gz QOVPWCRVIQNIDU-UHFFFAOYSA-N 2 1 230.421 2.333 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886860270 592369116 /nfs/dbraw/zinc/36/91/16/592369116.db2.gz YGXJYBMBYVNFSB-KBPBESRZSA-N 2 1 240.391 2.006 20 0 BEADMP c1ccc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)nc1 ZINC000886872389 592377766 /nfs/dbraw/zinc/37/77/66/592377766.db2.gz RHZGVINWZOAOQB-HNNXBMFYSA-N 2 1 245.370 2.047 20 0 BEADMP c1ccc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)nc1 ZINC000886872389 592377768 /nfs/dbraw/zinc/37/77/68/592377768.db2.gz RHZGVINWZOAOQB-HNNXBMFYSA-N 2 1 245.370 2.047 20 0 BEADMP CC[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134913 592448355 /nfs/dbraw/zinc/44/83/55/592448355.db2.gz SGHDYNFTKFLCNZ-QWHCGFSZSA-N 2 1 233.359 2.391 20 0 BEADMP CC(C)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887131288 592449943 /nfs/dbraw/zinc/44/99/43/592449943.db2.gz VABXDWYBWOIKDP-CYBMUJFWSA-N 2 1 233.359 2.248 20 0 BEADMP C[C@H](CC[N@@H+](C)CCCF)[NH+](C)CCCF ZINC000887141238 592457538 /nfs/dbraw/zinc/45/75/38/592457538.db2.gz KPEFKSZOVLJPDL-GFCCVEGCSA-N 2 1 236.350 2.348 20 0 BEADMP C[C@H](CC[NH+](C)CCCF)[N@H+](C)CCCF ZINC000887141238 592457540 /nfs/dbraw/zinc/45/75/40/592457540.db2.gz KPEFKSZOVLJPDL-GFCCVEGCSA-N 2 1 236.350 2.348 20 0 BEADMP C[C@H](CC[NH+](C)CCCF)[N@@H+](C)CCCF ZINC000887141238 592457543 /nfs/dbraw/zinc/45/75/43/592457543.db2.gz KPEFKSZOVLJPDL-GFCCVEGCSA-N 2 1 236.350 2.348 20 0 BEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccns1 ZINC000925703798 634380079 /nfs/dbraw/zinc/38/00/79/634380079.db2.gz DSZBFTMJXNKSAI-SNVBAGLBSA-N 2 1 237.372 2.056 20 0 BEADMP CCC[C@@H](C)CC[C@@H](C)[NH2+]CC[NH2+]C ZINC001246072968 987361221 /nfs/dbraw/zinc/36/12/21/987361221.db2.gz OBCYAWNDJDVOSA-VXGBXAGGSA-N 2 1 200.370 2.400 20 0 BEADMP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000299929196 634403379 /nfs/dbraw/zinc/40/33/79/634403379.db2.gz OHENXFWTBXJNFY-JSGCOSHPSA-N 2 1 245.370 2.000 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000299929196 634403390 /nfs/dbraw/zinc/40/33/90/634403390.db2.gz OHENXFWTBXJNFY-JSGCOSHPSA-N 2 1 245.370 2.000 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000925711796 634413349 /nfs/dbraw/zinc/41/33/49/634413349.db2.gz RQRPHOCXYOZPLT-CFVMTHIKSA-N 2 1 232.371 2.193 20 0 BEADMP CC1(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CCC1 ZINC000334350287 634456113 /nfs/dbraw/zinc/45/61/13/634456113.db2.gz FCQFLDHFXYBBSD-CQSZACIVSA-N 2 1 222.376 2.252 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000125545690 634539197 /nfs/dbraw/zinc/53/91/97/634539197.db2.gz NEPNKNBNGJSGHB-OAHLLOKOSA-N 2 1 232.371 2.420 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000125556473 634547620 /nfs/dbraw/zinc/54/76/20/634547620.db2.gz MQZSIDKDDGFMJU-AWEZNQCLSA-N 2 1 232.371 2.474 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCCc2cccnc21)[C@H]1CC[NH2+]C1 ZINC000925872158 635587050 /nfs/dbraw/zinc/58/70/50/635587050.db2.gz QGAKDFUDTPMDPK-FPMFFAJLSA-N 2 1 245.370 2.047 20 0 BEADMP C[N@@H+](CCC[NH2+]C1CC1)CCc1cccs1 ZINC000086441587 631469948 /nfs/dbraw/zinc/46/99/48/631469948.db2.gz NIVLVUKLMVIZGE-UHFFFAOYSA-N 2 1 238.400 2.365 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccoc1)C1CC1 ZINC000934005592 631585014 /nfs/dbraw/zinc/58/50/14/631585014.db2.gz QXYMJXRAXVNNIY-UHFFFAOYSA-N 2 1 245.326 2.449 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccoc1)C1CC1 ZINC000934005592 631585018 /nfs/dbraw/zinc/58/50/18/631585018.db2.gz QXYMJXRAXVNNIY-UHFFFAOYSA-N 2 1 245.326 2.449 20 0 BEADMP C[C@@H]1CSCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000934303795 631772605 /nfs/dbraw/zinc/77/26/05/631772605.db2.gz MGBJBYKEYXTDQY-OLZOCXBDSA-N 2 1 242.432 2.298 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000309039019 631808284 /nfs/dbraw/zinc/80/82/84/631808284.db2.gz IJUGDXMJFKIFAQ-ZJUUUORDSA-N 2 1 220.307 2.091 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000309039016 631807352 /nfs/dbraw/zinc/80/73/52/631807352.db2.gz IJUGDXMJFKIFAQ-NXEZZACHSA-N 2 1 220.307 2.091 20 0 BEADMP Cc1cc(C[NH2+]C[C@H](C)C[NH+](C)C)c(C)o1 ZINC000309343704 632005967 /nfs/dbraw/zinc/00/59/67/632005967.db2.gz LAJCCOFBZDFUJN-JTQLQIEISA-N 2 1 224.348 2.184 20 0 BEADMP CC[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000051919037 632012849 /nfs/dbraw/zinc/01/28/49/632012849.db2.gz XKEBKRCVTQBFQV-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP CC[N@@H+](CCCC1CC[NH2+]CC1)C(C)C ZINC000050952539 632120575 /nfs/dbraw/zinc/12/05/75/632120575.db2.gz NTEACTMOKPJKMI-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]CC(C)C ZINC000052447348 632412072 /nfs/dbraw/zinc/41/20/72/632412072.db2.gz XTXJBKMMWWPFGI-CYBMUJFWSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]CC(C)C ZINC000052447348 632412076 /nfs/dbraw/zinc/41/20/76/632412076.db2.gz XTXJBKMMWWPFGI-CYBMUJFWSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CCC2CCC2)CC[N@H+]1C ZINC000161867699 632439842 /nfs/dbraw/zinc/43/98/42/632439842.db2.gz NPOZMAIEMDPEAV-WCQYABFASA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000219749481 632561416 /nfs/dbraw/zinc/56/14/16/632561416.db2.gz OZCISRRGALPMJP-STQMWFEESA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000309044625 632623524 /nfs/dbraw/zinc/62/35/24/632623524.db2.gz MFAZMKOYNSSASL-NEPJUHHUSA-N 2 1 210.365 2.249 20 0 BEADMP C1=CC[C@@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)C[C@@H]2C1 ZINC000310348865 632725769 /nfs/dbraw/zinc/72/57/69/632725769.db2.gz QBDZTZSXLKXYKQ-KFWWJZLASA-N 2 1 234.387 2.274 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](C3CC3)C2)CC1 ZINC000894520883 635904054 /nfs/dbraw/zinc/90/40/54/635904054.db2.gz HKAXXSFFFJQZJE-OAHLLOKOSA-N 2 1 236.403 2.450 20 0 BEADMP C[C@@H](CC[NH2+]Cc1cc2cnccc2o1)[NH+](C)C ZINC000895291288 636131461 /nfs/dbraw/zinc/13/14/61/636131461.db2.gz BFZKHXYWZHMEGP-NSHDSACASA-N 2 1 247.342 2.258 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCNc1ccccc1 ZINC000925502945 633826931 /nfs/dbraw/zinc/82/69/31/633826931.db2.gz JIYPYLVOMPXISY-UKRRQHHQSA-N 2 1 247.386 2.219 20 0 BEADMP C1=CC[C@@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)C[C@@H]2C1 ZINC000310348868 634129110 /nfs/dbraw/zinc/12/91/10/634129110.db2.gz QBDZTZSXLKXYKQ-SOUVJXGZSA-N 2 1 234.387 2.274 20 0 BEADMP CCCC(O)(CCC)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925613711 634154141 /nfs/dbraw/zinc/15/41/41/634154141.db2.gz VZUYWEPGTMIHJM-CHWSQXEVSA-N 2 1 242.407 2.048 20 0 BEADMP CCCC(O)(CCC)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925613714 634154539 /nfs/dbraw/zinc/15/45/39/634154539.db2.gz VZUYWEPGTMIHJM-STQMWFEESA-N 2 1 242.407 2.048 20 0 BEADMP C[NH+]1C[C@]2(C)C[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)C[C@@]2(C)C1 ZINC000931318875 634343152 /nfs/dbraw/zinc/34/31/52/634343152.db2.gz VJZIIGKWVKVOSP-YIDVYQOGSA-N 2 1 248.414 2.306 20 0 BEADMP C[N@@H+](CCC1CCC1)C1CCC([NH3+])CC1 ZINC000258869612 635216373 /nfs/dbraw/zinc/21/63/73/635216373.db2.gz SRFWWBWSINDMDK-UHFFFAOYSA-N 2 1 210.365 2.378 20 0 BEADMP CC(C)c1ccc(C[NH2+]CC2([NH3+])CC2)cc1 ZINC000259096575 635240160 /nfs/dbraw/zinc/24/01/60/635240160.db2.gz OBIXQYADSCQKEV-UHFFFAOYSA-N 2 1 218.344 2.391 20 0 BEADMP Cc1cc(C)c(C[NH2+]CC2([NH3+])CC2)cc1C ZINC000259141969 635248002 /nfs/dbraw/zinc/24/80/02/635248002.db2.gz RLARSLVHNUKAJL-UHFFFAOYSA-N 2 1 218.344 2.193 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000094522063 635371713 /nfs/dbraw/zinc/37/17/13/635371713.db2.gz HQOYIMIWLOXQBC-CYBMUJFWSA-N 2 1 230.355 2.345 20 0 BEADMP C[C@]1(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)CCC[NH2+]C1 ZINC000126288740 635749280 /nfs/dbraw/zinc/74/92/80/635749280.db2.gz BJLBOJAGXAMSQV-MJBXVCDLSA-N 2 1 222.376 2.108 20 0 BEADMP COC[C@H]1CCC[N@H+]1CCCCCCC[NH3+] ZINC000143468872 636341517 /nfs/dbraw/zinc/34/15/17/636341517.db2.gz CEUTVLFJNYZICO-CYBMUJFWSA-N 2 1 228.380 2.006 20 0 BEADMP C[C@@H]1CCC[C@@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000928997891 636698428 /nfs/dbraw/zinc/69/84/28/636698428.db2.gz PBRSWLKYCIBWOR-APIJFGDWSA-N 2 1 236.403 2.354 20 0 BEADMP [NH3+]CC[C@@H]1CCCN(c2cc[nH+]cc2Cl)C1 ZINC000086840013 636887864 /nfs/dbraw/zinc/88/78/64/636887864.db2.gz CYHIHPZIWHMKIP-JTQLQIEISA-N 2 1 239.750 2.300 20 0 BEADMP CCC1(CC)CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000087255375 636893190 /nfs/dbraw/zinc/89/31/90/636893190.db2.gz ZCJNRBIQBYYLBJ-ZDUSSCGKSA-N 2 1 224.392 2.498 20 0 BEADMP CCO[C@@H](C[NH2+][C@H](C)CC(C)(C)C)C[NH+](C)C ZINC000926961466 636973516 /nfs/dbraw/zinc/97/35/16/636973516.db2.gz PAWXETUGGMIWHX-OLZOCXBDSA-N 2 1 244.423 2.367 20 0 BEADMP CCO[C@H](C[NH2+][C@H](C)C(C)(C)CC)C[NH+](C)C ZINC000926963091 636973952 /nfs/dbraw/zinc/97/39/52/636973952.db2.gz SGJYLHLTJQHEFD-CHWSQXEVSA-N 2 1 244.423 2.367 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCS1 ZINC000927030567 637001004 /nfs/dbraw/zinc/00/10/04/637001004.db2.gz IWGLORZXDJEENN-UMSGYPCISA-N 2 1 242.432 2.343 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCS1 ZINC000927030567 637001011 /nfs/dbraw/zinc/00/10/11/637001011.db2.gz IWGLORZXDJEENN-UMSGYPCISA-N 2 1 242.432 2.343 20 0 BEADMP CCCSC[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000903154473 637348013 /nfs/dbraw/zinc/34/80/13/637348013.db2.gz YRUHLVUBMRYNKT-NSHDSACASA-N 2 1 241.404 2.084 20 0 BEADMP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903436753 637361142 /nfs/dbraw/zinc/36/11/42/637361142.db2.gz BFWRXEQQTZLPQR-SYQHCUMBSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903437849 637362378 /nfs/dbraw/zinc/36/23/78/637362378.db2.gz NQGPBMOGAPQCIK-MRLBHPIUSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903437851 637363420 /nfs/dbraw/zinc/36/34/20/637363420.db2.gz NQGPBMOGAPQCIK-ZSAUSMIDSA-N 2 1 236.403 2.495 20 0 BEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccccc2CF)C1 ZINC000903788976 637383795 /nfs/dbraw/zinc/38/37/95/637383795.db2.gz SGIOBLCWRBOJQW-LBPRGKRZSA-N 2 1 236.334 2.327 20 0 BEADMP Cc1cc(C)nc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000903789400 637383877 /nfs/dbraw/zinc/38/38/77/637383877.db2.gz WLZFPKSMIOVVJU-OCCSQVGLSA-N 2 1 247.386 2.115 20 0 BEADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC1(C)C)Cc1ccccc1 ZINC000904461972 637405959 /nfs/dbraw/zinc/40/59/59/637405959.db2.gz NCTVTYDHRWPJFS-DZGCQCFKSA-N 2 1 246.398 2.453 20 0 BEADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC1(C)C)c1ccccc1 ZINC000904464277 637409212 /nfs/dbraw/zinc/40/92/12/637409212.db2.gz XWLBQWPHCJFOMN-OCCSQVGLSA-N 2 1 232.371 2.378 20 0 BEADMP CNc1ccccc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000904441897 637410906 /nfs/dbraw/zinc/41/09/06/637410906.db2.gz NYFKMGKZJYUGIT-LBPRGKRZSA-N 2 1 235.375 2.158 20 0 BEADMP Cc1ccc2cc(C[NH2+]CC3([NH3+])CC3)ccc2n1 ZINC000904442658 637411213 /nfs/dbraw/zinc/41/12/13/637411213.db2.gz GDTNXELECONGOD-UHFFFAOYSA-N 2 1 241.338 2.124 20 0 BEADMP CNc1ccc(C)cc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000904441234 637411441 /nfs/dbraw/zinc/41/14/41/637411441.db2.gz FLDHITPTCBQJBU-CYBMUJFWSA-N 2 1 249.402 2.467 20 0 BEADMP CC(C)Oc1cccc(C[NH2+]CC2([NH3+])CC2)c1 ZINC000904449303 637413222 /nfs/dbraw/zinc/41/32/22/637413222.db2.gz INPHZUIFCUYZFB-UHFFFAOYSA-N 2 1 234.343 2.055 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2cc3ccccc3s2)CC1 ZINC000904449959 637414611 /nfs/dbraw/zinc/41/46/11/637414611.db2.gz NTQAILOGUDERIO-UHFFFAOYSA-N 2 1 232.352 2.482 20 0 BEADMP Cc1[nH+]c(N)ccc1-c1ccc2c(c1)CC[NH2+]C2 ZINC000904768514 637476586 /nfs/dbraw/zinc/47/65/86/637476586.db2.gz JGQUPTMCWSFDPN-UHFFFAOYSA-N 2 1 239.322 2.285 20 0 BEADMP CCCC(N)=[NH+]OCC[C@@H]1CCCC[N@H+]1C ZINC000906498438 638174458 /nfs/dbraw/zinc/17/44/58/638174458.db2.gz AYZFSQSWUWNINW-NSHDSACASA-N 2 1 227.352 2.159 20 0 BEADMP CCCC(N)=[NH+]OCC[C@H]1CCCC[N@H+]1C ZINC000906498436 638174777 /nfs/dbraw/zinc/17/47/77/638174777.db2.gz AYZFSQSWUWNINW-LLVKDONJSA-N 2 1 227.352 2.159 20 0 BEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC000906508304 638179186 /nfs/dbraw/zinc/17/91/86/638179186.db2.gz MAZMZCUEQKEKML-XYPYZODXSA-N 2 1 234.274 2.151 20 0 BEADMP CCCC[NH2+]CCCCn1cc[nH+]c1C ZINC000906530065 638189189 /nfs/dbraw/zinc/18/91/89/638189189.db2.gz XEOFEOTWAHTSQF-UHFFFAOYSA-N 2 1 209.337 2.361 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000150284316 639478080 /nfs/dbraw/zinc/47/80/80/639478080.db2.gz VOTZIQZOEXNVHH-LLVKDONJSA-N 2 1 240.297 2.405 20 0 BEADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])[C@H](C)CO1 ZINC000035787399 639944222 /nfs/dbraw/zinc/94/42/22/639944222.db2.gz DVTBGNYSBNZVBI-CHWSQXEVSA-N 2 1 228.380 2.005 20 0 BEADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC000931277647 640128617 /nfs/dbraw/zinc/12/86/17/640128617.db2.gz PXIYXOAARLOTKF-WDNDVIMCSA-N 2 1 234.387 2.059 20 0 BEADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC000931277647 640128628 /nfs/dbraw/zinc/12/86/28/640128628.db2.gz PXIYXOAARLOTKF-WDNDVIMCSA-N 2 1 234.387 2.059 20 0 BEADMP CN(C)[C@@H]1[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21 ZINC000931280514 640132170 /nfs/dbraw/zinc/13/21/70/640132170.db2.gz GXNHZBSJCRQPPW-WDNDVIMCSA-N 2 1 222.376 2.059 20 0 BEADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21 ZINC000931280514 640132173 /nfs/dbraw/zinc/13/21/73/640132173.db2.gz GXNHZBSJCRQPPW-WDNDVIMCSA-N 2 1 222.376 2.059 20 0 BEADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21 ZINC000931280514 640132176 /nfs/dbraw/zinc/13/21/76/640132176.db2.gz GXNHZBSJCRQPPW-WDNDVIMCSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931279511 640132705 /nfs/dbraw/zinc/13/27/05/640132705.db2.gz KISKKKZVUMHPGL-RZFFKMDDSA-N 2 1 230.355 2.239 20 0 BEADMP C[C@H](c1ccccc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931279511 640132712 /nfs/dbraw/zinc/13/27/12/640132712.db2.gz KISKKKZVUMHPGL-RZFFKMDDSA-N 2 1 230.355 2.239 20 0 BEADMP C[NH+]1C[C@@]2(C)C[NH+](CC3CC=CC3)C[C@]2(C)C1 ZINC000931313397 640142399 /nfs/dbraw/zinc/14/23/99/640142399.db2.gz BCUGEMPGPYVXSZ-GJZGRUSLSA-N 2 1 234.387 2.226 20 0 BEADMP CC[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931314059 640149846 /nfs/dbraw/zinc/14/98/46/640149846.db2.gz JCVJHOSOEVGWBU-UPJWGTAASA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@@H](C)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931314059 640149853 /nfs/dbraw/zinc/14/98/53/640149853.db2.gz JCVJHOSOEVGWBU-UPJWGTAASA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@@H](C)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931314059 640149858 /nfs/dbraw/zinc/14/98/58/640149858.db2.gz JCVJHOSOEVGWBU-UPJWGTAASA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@@H](C)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931314059 640149872 /nfs/dbraw/zinc/14/98/72/640149872.db2.gz JCVJHOSOEVGWBU-UPJWGTAASA-N 2 1 210.365 2.059 20 0 BEADMP C[NH+]1C[C@]2(C)C[NH+](CCCC3CC3)C[C@@]2(C)C1 ZINC000931313425 640150234 /nfs/dbraw/zinc/15/02/34/640150234.db2.gz BHADAGPAXDGXMR-HUUCEWRRSA-N 2 1 236.403 2.450 20 0 BEADMP CC(C)OCCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931350649 640166771 /nfs/dbraw/zinc/16/67/71/640166771.db2.gz RNUMCGYGPWWOCT-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP CCCCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439161 640201047 /nfs/dbraw/zinc/20/10/47/640201047.db2.gz LWWSSPVABXQRKL-QWHCGFSZSA-N 2 1 210.365 2.060 20 0 BEADMP CCCCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931439161 640201051 /nfs/dbraw/zinc/20/10/51/640201051.db2.gz LWWSSPVABXQRKL-QWHCGFSZSA-N 2 1 210.365 2.060 20 0 BEADMP CCCCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931439161 640201055 /nfs/dbraw/zinc/20/10/55/640201055.db2.gz LWWSSPVABXQRKL-QWHCGFSZSA-N 2 1 210.365 2.060 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@@H]3C[C@H]3C3CC3)C[C@@H]2C1 ZINC000931443559 640207755 /nfs/dbraw/zinc/20/77/55/640207755.db2.gz YRUHCGPQXZWGBQ-WCVJEAGWSA-N 2 1 248.414 2.306 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@@H]3C[C@H]3C3CC3)C[C@@H]2C1 ZINC000931443559 640207761 /nfs/dbraw/zinc/20/77/61/640207761.db2.gz YRUHCGPQXZWGBQ-WCVJEAGWSA-N 2 1 248.414 2.306 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@@H]3C[C@H]3C3CC3)C[C@@H]2C1 ZINC000931443559 640207766 /nfs/dbraw/zinc/20/77/66/640207766.db2.gz YRUHCGPQXZWGBQ-WCVJEAGWSA-N 2 1 248.414 2.306 20 0 BEADMP C=C/C=C/CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931442383 640208360 /nfs/dbraw/zinc/20/83/60/640208360.db2.gz FULNQUZHYMNXIA-WEHDMVHDSA-N 2 1 220.360 2.002 20 0 BEADMP C=C/C=C/CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931442383 640208365 /nfs/dbraw/zinc/20/83/65/640208365.db2.gz FULNQUZHYMNXIA-WEHDMVHDSA-N 2 1 220.360 2.002 20 0 BEADMP C=C/C=C/CC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931442383 640208370 /nfs/dbraw/zinc/20/83/70/640208370.db2.gz FULNQUZHYMNXIA-WEHDMVHDSA-N 2 1 220.360 2.002 20 0 BEADMP CC1(C)CC(C[N@@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931517168 640246353 /nfs/dbraw/zinc/24/63/53/640246353.db2.gz UIYOZABSFUVRDC-UHFFFAOYSA-N 2 1 245.370 2.458 20 0 BEADMP CC1(C)CC(C[N@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931517168 640246360 /nfs/dbraw/zinc/24/63/60/640246360.db2.gz UIYOZABSFUVRDC-UHFFFAOYSA-N 2 1 245.370 2.458 20 0 BEADMP CC1CC(CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC000931547311 640267419 /nfs/dbraw/zinc/26/74/19/640267419.db2.gz QJTAXPCAYGHPFY-NWINJMCUSA-N 2 1 222.376 2.059 20 0 BEADMP CC1CC(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000931547311 640267427 /nfs/dbraw/zinc/26/74/27/640267427.db2.gz QJTAXPCAYGHPFY-NWINJMCUSA-N 2 1 222.376 2.059 20 0 BEADMP CC1CC(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000931547311 640267430 /nfs/dbraw/zinc/26/74/30/640267430.db2.gz QJTAXPCAYGHPFY-NWINJMCUSA-N 2 1 222.376 2.059 20 0 BEADMP CC1CC(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC000931547311 640267437 /nfs/dbraw/zinc/26/74/37/640267437.db2.gz QJTAXPCAYGHPFY-NWINJMCUSA-N 2 1 222.376 2.059 20 0 BEADMP CC1CC(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC000931547311 640267444 /nfs/dbraw/zinc/26/74/44/640267444.db2.gz QJTAXPCAYGHPFY-NWINJMCUSA-N 2 1 222.376 2.059 20 0 BEADMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2C1CCCC1 ZINC000931721267 640340276 /nfs/dbraw/zinc/34/02/76/640340276.db2.gz MJVCFJAGIXNEPV-QWHCGFSZSA-N 2 1 208.349 2.098 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1c[nH]cn1 ZINC000054763208 640403961 /nfs/dbraw/zinc/40/39/61/640403961.db2.gz XBIZATQYWLZZFV-GFCCVEGCSA-N 2 1 238.379 2.010 20 0 BEADMP CCCCCC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000164645899 640493772 /nfs/dbraw/zinc/49/37/72/640493772.db2.gz JHSGXEFDUZQBCQ-QWHCGFSZSA-N 2 1 212.381 2.483 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000222612970 640495949 /nfs/dbraw/zinc/49/59/49/640495949.db2.gz SAQMVCPTEJXAAY-AGIUHOORSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)[C@@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000166320873 640630175 /nfs/dbraw/zinc/63/01/75/640630175.db2.gz UHPWXOGUEXGRPN-ZIAGYGMSSA-N 2 1 224.392 2.354 20 0 BEADMP C[N@H+]1C[C@@H]2C[NH+](CC3(C)CCC3)C[C@]2(C)C1 ZINC000933732962 640757698 /nfs/dbraw/zinc/75/76/98/640757698.db2.gz WZEIWTZQUBZTMA-OCCSQVGLSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+](CC3(C)CCC3)C[C@]2(C)C1 ZINC000933732962 640757703 /nfs/dbraw/zinc/75/77/03/640757703.db2.gz WZEIWTZQUBZTMA-OCCSQVGLSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](CC3(C)CCC3)C[C@]2(C)C1 ZINC000933732962 640757709 /nfs/dbraw/zinc/75/77/09/640757709.db2.gz WZEIWTZQUBZTMA-OCCSQVGLSA-N 2 1 222.376 2.060 20 0 BEADMP CC(C)C[C@@H](C)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734460 640757942 /nfs/dbraw/zinc/75/79/42/640757942.db2.gz SWCSFVLYPYBVBC-HZSPNIEDSA-N 2 1 224.392 2.305 20 0 BEADMP CC(C)C[C@@H](C)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734460 640757946 /nfs/dbraw/zinc/75/79/46/640757946.db2.gz SWCSFVLYPYBVBC-HZSPNIEDSA-N 2 1 224.392 2.305 20 0 BEADMP CC(C)C[C@@H](C)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933734460 640757949 /nfs/dbraw/zinc/75/79/49/640757949.db2.gz SWCSFVLYPYBVBC-HZSPNIEDSA-N 2 1 224.392 2.305 20 0 BEADMP CC(C)C[C@@H](C)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933734460 640757953 /nfs/dbraw/zinc/75/79/53/640757953.db2.gz SWCSFVLYPYBVBC-HZSPNIEDSA-N 2 1 224.392 2.305 20 0 BEADMP C[N@H+]1C[C@@H]2C[NH+](CC3CC(C)(C)C3)C[C@]2(C)C1 ZINC000933734715 640761090 /nfs/dbraw/zinc/76/10/90/640761090.db2.gz RELRUQQQJYESCQ-HIFRSBDPSA-N 2 1 236.403 2.306 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@]2(C)C1 ZINC000933734715 640761096 /nfs/dbraw/zinc/76/10/96/640761096.db2.gz RELRUQQQJYESCQ-HIFRSBDPSA-N 2 1 236.403 2.306 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@]2(C)C1 ZINC000933734715 640761101 /nfs/dbraw/zinc/76/11/01/640761101.db2.gz RELRUQQQJYESCQ-HIFRSBDPSA-N 2 1 236.403 2.306 20 0 BEADMP CN1CCC[C@@H](C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000226817645 640793628 /nfs/dbraw/zinc/79/36/28/640793628.db2.gz OHENXFWTBXJNFY-GXTWGEPZSA-N 2 1 245.370 2.000 20 0 BEADMP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000226817645 640793634 /nfs/dbraw/zinc/79/36/34/640793634.db2.gz OHENXFWTBXJNFY-GXTWGEPZSA-N 2 1 245.370 2.000 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000226817645 640793638 /nfs/dbraw/zinc/79/36/38/640793638.db2.gz OHENXFWTBXJNFY-GXTWGEPZSA-N 2 1 245.370 2.000 20 0 BEADMP C[C@@H]1C[C@@H](N[C@@H]2CCc3cccnc32)CC[N@H+]1C ZINC000226826114 640798213 /nfs/dbraw/zinc/79/82/13/640798213.db2.gz ASAKNLLKELPBQP-KWCYVHTRSA-N 2 1 245.370 2.141 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](SC)C2)CC1 ZINC000168390555 640804265 /nfs/dbraw/zinc/80/42/65/640804265.db2.gz USWRPNYHXSBONF-OLZOCXBDSA-N 2 1 242.432 2.344 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)C/C=C/Cl ZINC000227735178 640846658 /nfs/dbraw/zinc/84/66/58/640846658.db2.gz WFLOSOMPCZUQPT-RWCYGVJQSA-N 2 1 204.745 2.044 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C/C=C/Cl ZINC000227735178 640846660 /nfs/dbraw/zinc/84/66/60/640846660.db2.gz WFLOSOMPCZUQPT-RWCYGVJQSA-N 2 1 204.745 2.044 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)C/C=C/Cl ZINC000227735183 640846547 /nfs/dbraw/zinc/84/65/47/640846547.db2.gz WFLOSOMPCZUQPT-DFVUYQKZSA-N 2 1 204.745 2.044 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C/C=C/Cl ZINC000227735183 640846548 /nfs/dbraw/zinc/84/65/48/640846548.db2.gz WFLOSOMPCZUQPT-DFVUYQKZSA-N 2 1 204.745 2.044 20 0 BEADMP C[N@@H+](CCCCCCC[NH3+])C[C@@H]1CCCCO1 ZINC000042466667 641552198 /nfs/dbraw/zinc/55/21/98/641552198.db2.gz ALJVPGYCBYPJKH-AWEZNQCLSA-N 2 1 242.407 2.397 20 0 BEADMP CC1CC(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000929847632 641763268 /nfs/dbraw/zinc/76/32/68/641763268.db2.gz MPNVKGIDIYDWBA-CVSAEHQPSA-N 2 1 236.403 2.449 20 0 BEADMP CC1CC(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000929847632 641763271 /nfs/dbraw/zinc/76/32/71/641763271.db2.gz MPNVKGIDIYDWBA-CVSAEHQPSA-N 2 1 236.403 2.449 20 0 BEADMP CC1CC(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000929847632 641763277 /nfs/dbraw/zinc/76/32/77/641763277.db2.gz MPNVKGIDIYDWBA-CVSAEHQPSA-N 2 1 236.403 2.449 20 0 BEADMP CC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000233922265 642706670 /nfs/dbraw/zinc/70/66/70/642706670.db2.gz DIKLLNDKUDNXFW-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000305925610 642712408 /nfs/dbraw/zinc/71/24/08/642712408.db2.gz CLNBQWTZTQYVEC-VXGBXAGGSA-N 2 1 246.345 2.496 20 0 BEADMP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000305925610 642712413 /nfs/dbraw/zinc/71/24/13/642712413.db2.gz CLNBQWTZTQYVEC-VXGBXAGGSA-N 2 1 246.345 2.496 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1C ZINC000252119640 642886931 /nfs/dbraw/zinc/88/69/31/642886931.db2.gz JDPFGPJVSKQTER-XQHKEYJVSA-N 2 1 210.365 2.234 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCc1cccs1 ZINC000082602686 643353211 /nfs/dbraw/zinc/35/32/11/643353211.db2.gz CSAOBKPONLOJBB-AAEUAGOBSA-N 2 1 238.400 2.492 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCc1cccs1 ZINC000082602686 643353214 /nfs/dbraw/zinc/35/32/14/643353214.db2.gz CSAOBKPONLOJBB-AAEUAGOBSA-N 2 1 238.400 2.492 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]CC1(C)CCCC1 ZINC000082625451 643355294 /nfs/dbraw/zinc/35/52/94/643355294.db2.gz NFSIIFDDZSANQM-UHFFFAOYSA-N 2 1 221.348 2.361 20 0 BEADMP CC(C)C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000085015355 643522748 /nfs/dbraw/zinc/52/27/48/643522748.db2.gz PXDCVEBVYOLWFA-NEPJUHHUSA-N 2 1 210.365 2.234 20 0 BEADMP CC(C)C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C(C)C ZINC000085015370 643522905 /nfs/dbraw/zinc/52/29/05/643522905.db2.gz OXWMIXYIXGSDDP-OLZOCXBDSA-N 2 1 212.381 2.480 20 0 BEADMP C[N@H+](Cc1ccsc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085014624 643523292 /nfs/dbraw/zinc/52/32/92/643523292.db2.gz VSUCRRNUTZMQRC-PWSUYJOCSA-N 2 1 224.373 2.307 20 0 BEADMP CC[C@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085014521 643524177 /nfs/dbraw/zinc/52/41/77/643524177.db2.gz FRXXXTIBVSWYTK-AGIUHOORSA-N 2 1 210.365 2.378 20 0 BEADMP CC(C)C[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000307802643 643669157 /nfs/dbraw/zinc/66/91/57/643669157.db2.gz KUCCOGXJDOLTRB-WDEREUQCSA-N 2 1 234.334 2.337 20 0 BEADMP CC(C)C[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000307802643 643669162 /nfs/dbraw/zinc/66/91/62/643669162.db2.gz KUCCOGXJDOLTRB-WDEREUQCSA-N 2 1 234.334 2.337 20 0 BEADMP CCC[N@@H+](CC1CC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085015158 643679096 /nfs/dbraw/zinc/67/90/96/643679096.db2.gz ZTLAUTGVDGBMQL-OLZOCXBDSA-N 2 1 210.365 2.236 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000354345060 643771628 /nfs/dbraw/zinc/77/16/28/643771628.db2.gz BEUUSFFGGRVOKO-STQMWFEESA-N 2 1 242.407 2.121 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000354345057 643772661 /nfs/dbraw/zinc/77/26/61/643772661.db2.gz BEUUSFFGGRVOKO-CHWSQXEVSA-N 2 1 242.407 2.121 20 0 BEADMP Cc1ncc(C[N@H+](C)C2CCC([NH3+])CC2)s1 ZINC000085869304 643824882 /nfs/dbraw/zinc/82/48/82/643824882.db2.gz QIEZKXZEKOYJRE-UHFFFAOYSA-N 2 1 239.388 2.153 20 0 BEADMP CCCCCC[C@@H](O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000923280369 644315520 /nfs/dbraw/zinc/31/55/20/644315520.db2.gz XXYSSBZAICTRBA-CQSZACIVSA-N 2 1 242.407 2.002 20 0 BEADMP CC(C)CC[C@@H](O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000923298991 644327019 /nfs/dbraw/zinc/32/70/19/644327019.db2.gz VWERRYRLOORYNW-ZIAGYGMSSA-N 2 1 244.423 2.089 20 0 BEADMP Cc1cccc2c1CC[N@H+](CCC[NH2+]C1CC1)C2 ZINC000923311474 644346768 /nfs/dbraw/zinc/34/67/68/644346768.db2.gz NIOSUDXZSTVLMF-UHFFFAOYSA-N 2 1 244.382 2.495 20 0 BEADMP Cc1cccc2c1CC[N@@H+](CCC[NH2+]C1CC1)C2 ZINC000923311474 644346774 /nfs/dbraw/zinc/34/67/74/644346774.db2.gz NIOSUDXZSTVLMF-UHFFFAOYSA-N 2 1 244.382 2.495 20 0 BEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCc3cccc(F)c3)C[C@H]12 ZINC000923331780 644359711 /nfs/dbraw/zinc/35/97/11/644359711.db2.gz ICQRRIFGFUIMFO-VHDGCEQUSA-N 2 1 248.345 2.037 20 0 BEADMP Cc1ccc2c(c1)C[N@@H+](CCC[NH2+]C1CC1)CC2 ZINC000923386673 644398603 /nfs/dbraw/zinc/39/86/03/644398603.db2.gz QOUFIDOMKWUVKB-UHFFFAOYSA-N 2 1 244.382 2.495 20 0 BEADMP Cc1ccc2c(c1)C[N@H+](CCC[NH2+]C1CC1)CC2 ZINC000923386673 644398605 /nfs/dbraw/zinc/39/86/05/644398605.db2.gz QOUFIDOMKWUVKB-UHFFFAOYSA-N 2 1 244.382 2.495 20 0 BEADMP C[C@@H]1C[NH+](CCC[NH2+]C2CC2)C[C@@H](C)C1(F)F ZINC000923397741 644404962 /nfs/dbraw/zinc/40/49/62/644404962.db2.gz GIKFAMSPMRHQIE-GHMZBOCLSA-N 2 1 246.345 2.352 20 0 BEADMP C[N@@H+](CCC[NH2+]C1CC1)C[C@H]1CC1(C)C ZINC000923398516 644405143 /nfs/dbraw/zinc/40/51/43/644405143.db2.gz UXQVMMLZWPDKBU-LLVKDONJSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1CC[C@H](C)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000085016287 644435132 /nfs/dbraw/zinc/43/51/32/644435132.db2.gz OTICXAHIGWGDEF-RVMXOQNASA-N 2 1 210.365 2.234 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000923480693 644459673 /nfs/dbraw/zinc/45/96/73/644459673.db2.gz ZLRFWHRQACVXHC-VXGBXAGGSA-N 2 1 246.345 2.483 20 0 BEADMP C[C@@H](c1ccccn1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495971 644462288 /nfs/dbraw/zinc/46/22/88/644462288.db2.gz FMHPLDUQRAEAKO-FRRDWIJNSA-N 2 1 233.359 2.059 20 0 BEADMP C[C@@H]1C[N@@H+](CCC2CCC2)CC[C@@H]1C[NH3+] ZINC000923488012 644463253 /nfs/dbraw/zinc/46/32/53/644463253.db2.gz CTMFUAXHURKRJK-DGCLKSJQSA-N 2 1 210.365 2.093 20 0 BEADMP C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495970 644463387 /nfs/dbraw/zinc/46/33/87/644463387.db2.gz FMHPLDUQRAEAKO-AGIUHOORSA-N 2 1 233.359 2.059 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923490975 644464536 /nfs/dbraw/zinc/46/45/36/644464536.db2.gz PLBHVZLLVNZGJM-STQMWFEESA-N 2 1 210.365 2.259 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923490973 644465766 /nfs/dbraw/zinc/46/57/66/644465766.db2.gz PLBHVZLLVNZGJM-QWHCGFSZSA-N 2 1 210.365 2.259 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC[C@H]1C[NH3+] ZINC000923494517 644471139 /nfs/dbraw/zinc/47/11/39/644471139.db2.gz NMCZWBJSLGRXDG-ZSAUSMIDSA-N 2 1 236.403 2.339 20 0 BEADMP C([C@@H]1CC2CCC1CC2)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516026 644479549 /nfs/dbraw/zinc/47/95/49/644479549.db2.gz RJXPETAOGREJJG-SVXVCFNTSA-N 2 1 248.414 2.354 20 0 BEADMP C([C@H]1CC2CCC1CC2)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516027 644481544 /nfs/dbraw/zinc/48/15/44/644481544.db2.gz RJXPETAOGREJJG-UIEKQHFFSA-N 2 1 248.414 2.354 20 0 BEADMP C(C[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1)[C@H]1CC[NH2+]C1 ZINC000923526933 644485417 /nfs/dbraw/zinc/48/54/17/644485417.db2.gz WECWJRPAJNQXMH-DAXOMENPSA-N 2 1 248.414 2.497 20 0 BEADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923532719 644489228 /nfs/dbraw/zinc/48/92/28/644489228.db2.gz GENNGJWAGANDAJ-XGUBFFRZSA-N 2 1 234.387 2.251 20 0 BEADMP CC(C)[C@H](C)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923533728 644489537 /nfs/dbraw/zinc/48/95/37/644489537.db2.gz NTCZIMVQRRNAMK-STQMWFEESA-N 2 1 210.365 2.249 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000923551593 644495628 /nfs/dbraw/zinc/49/56/28/644495628.db2.gz ABOHMCNTJWMJLE-AWEZNQCLSA-N 2 1 240.391 2.006 20 0 BEADMP CCCCC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923542365 644496131 /nfs/dbraw/zinc/49/61/31/644496131.db2.gz OSYBMLGUNZFXLH-ZDUSSCGKSA-N 2 1 210.365 2.395 20 0 BEADMP CCCCC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923542365 644496140 /nfs/dbraw/zinc/49/61/40/644496140.db2.gz OSYBMLGUNZFXLH-ZDUSSCGKSA-N 2 1 210.365 2.395 20 0 BEADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccoc3)CC[C@@H]21 ZINC000092043554 644645822 /nfs/dbraw/zinc/64/58/22/644645822.db2.gz CLODXPASSMILPV-KBPBESRZSA-N 2 1 234.343 2.196 20 0 BEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccoc3)CC[C@@H]21 ZINC000092043554 644645830 /nfs/dbraw/zinc/64/58/30/644645830.db2.gz CLODXPASSMILPV-KBPBESRZSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccoc3)CC[C@@H]21 ZINC000092043554 644645835 /nfs/dbraw/zinc/64/58/35/644645835.db2.gz CLODXPASSMILPV-KBPBESRZSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccoc3)CC[C@@H]21 ZINC000092043554 644645842 /nfs/dbraw/zinc/64/58/42/644645842.db2.gz CLODXPASSMILPV-KBPBESRZSA-N 2 1 234.343 2.196 20 0 BEADMP Cc1ccc(OCC[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000094341897 644716687 /nfs/dbraw/zinc/71/66/87/644716687.db2.gz XKAZSVCGPVKIFB-UKRRQHHQSA-N 2 1 248.370 2.043 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]3CCC[C@H]32)C1 ZINC000251294426 644801163 /nfs/dbraw/zinc/80/11/63/644801163.db2.gz NZSLPMSNWYSLSQ-REWJHTLYSA-N 2 1 222.376 2.378 20 0 BEADMP C[C@@H]1CCCC[C@H]1[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000252175029 644840113 /nfs/dbraw/zinc/84/01/13/644840113.db2.gz OTVUZVBOQLUANX-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP C([C@H]1CCC[NH2+]1)[N@@H+]1CCC2(C1)CCCCC2 ZINC000304455747 644909481 /nfs/dbraw/zinc/90/94/81/644909481.db2.gz YUPBRUZYQBXEDX-CYBMUJFWSA-N 2 1 222.376 2.395 20 0 BEADMP C([C@H]1CCC[NH2+]1)[N@H+]1CCC2(C1)CCCCC2 ZINC000304455747 644909486 /nfs/dbraw/zinc/90/94/86/644909486.db2.gz YUPBRUZYQBXEDX-CYBMUJFWSA-N 2 1 222.376 2.395 20 0 BEADMP CCOc1cccc([C@H](C)[NH2+]C[C@@H]([NH3+])CC)c1 ZINC000817980370 644992648 /nfs/dbraw/zinc/99/26/48/644992648.db2.gz UKYPVHLNBUGRDG-AAEUAGOBSA-N 2 1 236.359 2.473 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1ccc2c(c1)CCO2 ZINC000817980452 644992812 /nfs/dbraw/zinc/99/28/12/644992812.db2.gz VCVIKZDAGPSJRH-UONOGXRCSA-N 2 1 248.370 2.400 20 0 BEADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ncco1 ZINC000926558369 645280501 /nfs/dbraw/zinc/28/05/01/645280501.db2.gz HGWMLFWQDXRIES-NSHDSACASA-N 2 1 237.347 2.200 20 0 BEADMP CSC1CC([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000926559429 645281798 /nfs/dbraw/zinc/28/17/98/645281798.db2.gz NVRVXNFTDQDQSO-UHFFFAOYSA-N 2 1 242.432 2.344 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CC2(CCC2)C1 ZINC000926659829 645342809 /nfs/dbraw/zinc/34/28/09/645342809.db2.gz HTFKCTXEABROHV-ONXXMXGDSA-N 2 1 234.387 2.249 20 0 BEADMP C[NH+]1CCC([NH2+]CC[C@]2(C)C[C@]2(F)Cl)CC1 ZINC000846037853 645389444 /nfs/dbraw/zinc/38/94/44/645389444.db2.gz MTOUADMJPGDVIO-VXGBXAGGSA-N 2 1 248.773 2.375 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCC12CC2 ZINC000926778896 645425271 /nfs/dbraw/zinc/42/52/71/645425271.db2.gz SOVARTYSYYKMMD-WJLOJVBCSA-N 2 1 234.387 2.249 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(F)cc1 ZINC000924524783 646046380 /nfs/dbraw/zinc/04/63/80/646046380.db2.gz KNBZZVWABSLGFL-NNQSOWQGSA-N 2 1 248.345 2.256 20 0 BEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2)C1CC1 ZINC000924718013 646094836 /nfs/dbraw/zinc/09/48/36/646094836.db2.gz ORDQNLAKXCRVFM-CTHBEMJXSA-N 2 1 234.387 2.271 20 0 BEADMP CC[C@@H]([NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2)C(C)C ZINC000924801779 646110960 /nfs/dbraw/zinc/11/09/60/646110960.db2.gz ZEEXDCJWIIAWHV-YNEHKIRRSA-N 2 1 210.365 2.105 20 0 BEADMP CC[C@@H]([NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2)C(C)C ZINC000924801779 646110962 /nfs/dbraw/zinc/11/09/62/646110962.db2.gz ZEEXDCJWIIAWHV-YNEHKIRRSA-N 2 1 210.365 2.105 20 0 BEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1Cc2ccccc21 ZINC000925490786 646298920 /nfs/dbraw/zinc/29/89/20/646298920.db2.gz OVTRTVVBCCDVPG-TZMCWYRMSA-N 2 1 230.355 2.056 20 0 BEADMP CC(C)[N@@H+](C)CCN[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925560611 646335363 /nfs/dbraw/zinc/33/53/63/646335363.db2.gz WTBKTMLJXGEJFE-HIFRSBDPSA-N 2 1 249.402 2.005 20 0 BEADMP CC(C)[N@@H+](C)CCN[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925560608 646335495 /nfs/dbraw/zinc/33/54/95/646335495.db2.gz WTBKTMLJXGEJFE-DZGCQCFKSA-N 2 1 249.402 2.005 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1C[C@@H]1Cc1ccccc1 ZINC000925572749 646341719 /nfs/dbraw/zinc/34/17/19/646341719.db2.gz NSFSRNITODYXPZ-TUUVXOQKSA-N 2 1 244.382 2.348 20 0 BEADMP C[C@@H]([NH3+])[C@@H]([NH2+]CC1(C)CC1)c1ccccc1 ZINC000925577646 646345182 /nfs/dbraw/zinc/34/51/82/646345182.db2.gz VDBRQAQMQIYLQC-DGCLKSJQSA-N 2 1 218.344 2.465 20 0 BEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000925635203 646378027 /nfs/dbraw/zinc/37/80/27/646378027.db2.gz PDSRXOZCHRJXAK-WDEREUQCSA-N 2 1 228.405 2.002 20 0 BEADMP C[C@H]([NH3+])[C@H]([NH2+]CC[C@H]1CCOC1)c1ccccc1 ZINC000925638148 646382979 /nfs/dbraw/zinc/38/29/79/646382979.db2.gz YHAYXACXJYWAPJ-YDHLFZDLSA-N 2 1 248.370 2.091 20 0 BEADMP CC(C)=CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925655488 646395084 /nfs/dbraw/zinc/39/50/84/646395084.db2.gz BFAIMUJKLZEZQJ-LBPRGKRZSA-N 2 1 208.349 2.217 20 0 BEADMP C[C@@H]([NH3+])[C@H]([NH2+]CCCCF)c1ccccc1 ZINC000925677327 646405305 /nfs/dbraw/zinc/40/53/05/646405305.db2.gz SYMKYRLXYSWNOA-YPMHNXCESA-N 2 1 224.323 2.414 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000723654828 711531478 /nfs/dbraw/zinc/53/14/78/711531478.db2.gz IKNBHNRUNIMTEZ-MROQNXINSA-N 2 1 210.365 2.282 20 0 BEADMP CCC[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)OC ZINC000925679669 646406950 /nfs/dbraw/zinc/40/69/50/646406950.db2.gz KMYUDHQXVALUHU-STQMWFEESA-N 2 1 240.391 2.066 20 0 BEADMP CC1(C)C[C@@H]1[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925685499 646412688 /nfs/dbraw/zinc/41/26/88/646412688.db2.gz JUIMUKKGDZIWNS-QWRGUYRKSA-N 2 1 208.349 2.049 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925695959 646421502 /nfs/dbraw/zinc/42/15/02/646421502.db2.gz RWCMUPXQKQHTJL-IJLUTSLNSA-N 2 1 210.365 2.151 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1C=CCC1)c1c[nH+]ccc1N ZINC000925731534 646455401 /nfs/dbraw/zinc/45/54/01/646455401.db2.gz LUUWYROTLVRYDJ-GHMZBOCLSA-N 2 1 217.316 2.111 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(C)CC(F)(F)C1 ZINC000925734486 646458482 /nfs/dbraw/zinc/45/84/82/646458482.db2.gz RRGFHOZIMFOHTD-UWVGGRQHSA-N 2 1 232.318 2.009 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000925766992 646469550 /nfs/dbraw/zinc/46/95/50/646469550.db2.gz VVMXYDIAEFFGTG-YHQUGGNUSA-N 2 1 222.376 2.153 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)Cc1ccccn1 ZINC000926334736 646618615 /nfs/dbraw/zinc/61/86/15/646618615.db2.gz YZLPHQKUKLIJFK-UONOGXRCSA-N 2 1 249.402 2.333 20 0 BEADMP C[C@@H]1CCC[N@H+](CCCC(C)(F)F)[C@@H]1C[NH3+] ZINC000718574268 711661242 /nfs/dbraw/zinc/66/12/42/711661242.db2.gz YZBSOVJMEVGMLJ-GHMZBOCLSA-N 2 1 234.334 2.481 20 0 BEADMP C[C@@H]1CCC[N@@H+](CCCC(C)(F)F)[C@@H]1C[NH3+] ZINC000718574268 711661243 /nfs/dbraw/zinc/66/12/43/711661243.db2.gz YZBSOVJMEVGMLJ-GHMZBOCLSA-N 2 1 234.334 2.481 20 0 BEADMP CC(C)CSCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925625022 711705515 /nfs/dbraw/zinc/70/55/15/711705515.db2.gz FUAKYIGCAAOZLT-LBPRGKRZSA-N 2 1 242.432 2.250 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCSC2)CC[N@H+]1C ZINC000704789764 712116910 /nfs/dbraw/zinc/11/69/10/712116910.db2.gz HROPLSPMRSBFAK-JHJVBQTASA-N 2 1 242.432 2.202 20 0 BEADMP CCOC[C@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000707565408 712175115 /nfs/dbraw/zinc/17/51/15/712175115.db2.gz SUYMAUFROKHINP-AWEZNQCLSA-N 2 1 242.407 2.254 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1CC(C)(C)CO1 ZINC000708329097 712187758 /nfs/dbraw/zinc/18/77/58/712187758.db2.gz BFSIWOOYAHDVDE-AVGNSLFASA-N 2 1 240.391 2.003 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1CC(C)(C)CO1 ZINC000708329097 712187760 /nfs/dbraw/zinc/18/77/60/712187760.db2.gz BFSIWOOYAHDVDE-AVGNSLFASA-N 2 1 240.391 2.003 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709922218 712233631 /nfs/dbraw/zinc/23/36/31/712233631.db2.gz YXYDQIAUGGXVQD-CQSZACIVSA-N 2 1 222.376 2.418 20 0 BEADMP FC[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000711444744 712300567 /nfs/dbraw/zinc/30/05/67/712300567.db2.gz VCDZQDPCDNWGMF-CQSZACIVSA-N 2 1 242.382 2.448 20 0 BEADMP CC(C)[C@](C)(C[NH3+])[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712000270 712339911 /nfs/dbraw/zinc/33/99/11/712339911.db2.gz DWAGCMXNQXXKSR-RDBSUJKOSA-N 2 1 224.392 2.386 20 0 BEADMP C[N@@H+](C[C@H]1CCC(C)(C)CO1)CC(C)(C)C[NH3+] ZINC000713597432 712466363 /nfs/dbraw/zinc/46/63/63/712466363.db2.gz UYDNCCUKSJZJHD-GFCCVEGCSA-N 2 1 242.407 2.108 20 0 BEADMP C=C/C=C\CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000713691407 712469168 /nfs/dbraw/zinc/46/91/68/712469168.db2.gz BJJDWECBBMIAPC-AGFGORMFSA-N 2 1 208.349 2.191 20 0 BEADMP C=C/C=C\CC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000713729157 712470655 /nfs/dbraw/zinc/47/06/55/712470655.db2.gz AVBPUGFJUPAANG-DHCBQETCSA-N 2 1 208.349 2.180 20 0 BEADMP [NH3+]CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715534312 712526290 /nfs/dbraw/zinc/52/62/90/712526290.db2.gz UJXDKVIMYFSWLH-PHIMTYICSA-N 2 1 232.318 2.093 20 0 BEADMP CC[C@@H](C)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037485295 712650945 /nfs/dbraw/zinc/65/09/45/712650945.db2.gz GBTOSBZJTUUTDM-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP CC1(C)CC[C@@H]([NH2+]CC[NH3+])c2ccccc21 ZINC000037712725 712744831 /nfs/dbraw/zinc/74/48/31/712744831.db2.gz MOPCGOZNIOGCGH-CYBMUJFWSA-N 2 1 218.344 2.347 20 0 BEADMP CO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000718784919 712782960 /nfs/dbraw/zinc/78/29/60/712782960.db2.gz AUBDRELWYYCRNJ-TZMCWYRMSA-N 2 1 240.391 2.018 20 0 BEADMP CC[C@H](C)C[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720805287 712867017 /nfs/dbraw/zinc/86/70/17/712867017.db2.gz LXPXVKPHNYVQSO-LPEHRKFASA-N 2 1 238.297 2.102 20 0 BEADMP CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000720901598 712876058 /nfs/dbraw/zinc/87/60/58/712876058.db2.gz CKLAFZYKKUYKRT-IHRRRGAJSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000720901598 712876061 /nfs/dbraw/zinc/87/60/61/712876061.db2.gz CKLAFZYKKUYKRT-IHRRRGAJSA-N 2 1 224.392 2.495 20 0 BEADMP CCC(CC)C[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000720905483 712876957 /nfs/dbraw/zinc/87/69/57/712876957.db2.gz YVLJQBCAOGWBMU-STQMWFEESA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000384159238 710671866 /nfs/dbraw/zinc/67/18/66/710671866.db2.gz MZQJUPGTUNZOCV-LPEHRKFASA-N 2 1 220.307 2.089 20 0 BEADMP CCOc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000723670968 710731662 /nfs/dbraw/zinc/73/16/62/710731662.db2.gz XCBMZJDWIOANPC-AWEZNQCLSA-N 2 1 248.370 2.256 20 0 BEADMP C[C@@H]1C[C@H](C)CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000723836553 710733059 /nfs/dbraw/zinc/73/30/59/710733059.db2.gz VOBBQGCBOGAWGR-LPWJVIDDSA-N 2 1 210.365 2.092 20 0 BEADMP CC(C)(C)[C@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000380612377 712901890 /nfs/dbraw/zinc/90/18/90/712901890.db2.gz YMTHLMKMMAUMHQ-UWVGGRQHSA-N 2 1 234.334 2.337 20 0 BEADMP CC[C@@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)CCS1 ZINC000133049465 710968136 /nfs/dbraw/zinc/96/81/36/710968136.db2.gz AJRWQTOQBFZSTE-CHWSQXEVSA-N 2 1 242.432 2.204 20 0 BEADMP C[C@H]([N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1)C1(C)CC1 ZINC000385417679 711012651 /nfs/dbraw/zinc/01/26/51/711012651.db2.gz ZURNTXRXZZPBGU-TUAOUCFPSA-N 2 1 210.365 2.234 20 0 BEADMP C[C@@H]([N@@H+](C)C[C@@]1(C)CCC[NH2+]C1)C1(C)CC1 ZINC000385467755 711013553 /nfs/dbraw/zinc/01/35/53/711013553.db2.gz ORWSYBSOILDMJJ-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@@H+](CCC1CC1)C[C@]1(C)CCC[NH2+]C1 ZINC000385490485 711013602 /nfs/dbraw/zinc/01/36/02/711013602.db2.gz DZLNRYNRNUWMHW-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)[C@H]1C ZINC000380702821 712902602 /nfs/dbraw/zinc/90/26/02/712902602.db2.gz XSIZJJVEFUAALL-AGIUHOORSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2C[C@H](N)C(C)(C)C2)c1 ZINC000388047260 711050523 /nfs/dbraw/zinc/05/05/23/711050523.db2.gz HHHDMUSGJLJGSB-AWEZNQCLSA-N 2 1 232.371 2.473 20 0 BEADMP C[C@H]1C[N@@H+](CCCC(C)(F)F)CC[C@H]1[NH3+] ZINC000390067679 711104064 /nfs/dbraw/zinc/10/40/64/711104064.db2.gz DIHZGKAVIFLIAG-VHSXEESVSA-N 2 1 220.307 2.091 20 0 BEADMP CC(C)[C@H]1CCC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000389668971 711085306 /nfs/dbraw/zinc/08/53/06/711085306.db2.gz SJKUAHWRFHJXTG-NXEZZACHSA-N 2 1 220.307 2.089 20 0 BEADMP CC(C)[C@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000389668974 711085548 /nfs/dbraw/zinc/08/55/48/711085548.db2.gz SJKUAHWRFHJXTG-VHSXEESVSA-N 2 1 220.307 2.089 20 0 BEADMP C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccccc1 ZINC000392918043 711153999 /nfs/dbraw/zinc/15/39/99/711153999.db2.gz MGQDFPAPSYSTAQ-AGQWEPENSA-N 2 1 242.366 2.334 20 0 BEADMP C[C@H]1CC[N@@H+](CCCC2CC2)C[C@@H]1C[NH3+] ZINC000394668592 711196769 /nfs/dbraw/zinc/19/67/69/711196769.db2.gz RAZGDHCSDURKLG-AAEUAGOBSA-N 2 1 210.365 2.093 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCCC1CC1 ZINC000394631787 711196976 /nfs/dbraw/zinc/19/69/76/711196976.db2.gz VILRMDADNFIDQF-ZDUSSCGKSA-N 2 1 212.381 2.482 20 0 BEADMP CSCCCCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396576275 711355508 /nfs/dbraw/zinc/35/55/08/711355508.db2.gz NCGAJQVFNDPHGC-NEPJUHHUSA-N 2 1 230.421 2.250 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCCCS1 ZINC000396570685 711355741 /nfs/dbraw/zinc/35/57/41/711355741.db2.gz LESRLRDMRVBBSK-TUAOUCFPSA-N 2 1 228.405 2.002 20 0 BEADMP Cc1ccccc1CC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396566353 711356087 /nfs/dbraw/zinc/35/60/87/711356087.db2.gz VVHMUSNIHGWIGZ-HIFRSBDPSA-N 2 1 232.371 2.268 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000396584575 711357964 /nfs/dbraw/zinc/35/79/64/711357964.db2.gz GZIPDPUSTJDSRJ-GARJFASQSA-N 2 1 232.318 2.152 20 0 BEADMP CC(C)C1(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396702951 711366757 /nfs/dbraw/zinc/36/67/57/711366757.db2.gz LUUKNPROTGXGES-NEPJUHHUSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)CC(F)(F)F ZINC000397010448 711374001 /nfs/dbraw/zinc/37/40/01/711374001.db2.gz MTRDHGWNGRHBLO-IVZWLZJFSA-N 2 1 238.297 2.305 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCSC(C)(C)C ZINC000397268826 711381023 /nfs/dbraw/zinc/38/10/23/711381023.db2.gz MVMHFZZJTDCBQU-MNOVXSKESA-N 2 1 230.421 2.248 20 0 BEADMP CC[C@@H]1C[C@H](C)C[N@H+]1CCC[NH2+]C1CC1 ZINC000399137196 711420869 /nfs/dbraw/zinc/42/08/69/711420869.db2.gz XPEFBDVWXYJPFC-WCQYABFASA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc[nH]1 ZINC000381304666 710618360 /nfs/dbraw/zinc/61/83/60/710618360.db2.gz JLVLVFRRXWQGPM-GRYCIOLGSA-N 2 1 221.348 2.148 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc[nH]1 ZINC000381304666 710618361 /nfs/dbraw/zinc/61/83/61/710618361.db2.gz JLVLVFRRXWQGPM-GRYCIOLGSA-N 2 1 221.348 2.148 20 0 BEADMP CO[C@H](C[N@H+]1CC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000386019268 711020152 /nfs/dbraw/zinc/02/01/52/711020152.db2.gz WRTCWLMSDQTGSF-DZGCQCFKSA-N 2 1 248.370 2.045 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000394214668 711188930 /nfs/dbraw/zinc/18/89/30/711188930.db2.gz CZJMYWCOHGBGQE-OOJKYFRXSA-N 2 1 236.403 2.497 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCC3CC3)C[C@H]21 ZINC000394594343 711194922 /nfs/dbraw/zinc/19/49/22/711194922.db2.gz GCIREFZQGXBDIT-MGPQQGTHSA-N 2 1 222.376 2.236 20 0 BEADMP CC(C)C[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000396756550 711368343 /nfs/dbraw/zinc/36/83/43/711368343.db2.gz BVEFMKYVMQDHSS-HZSPNIEDSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396725676 711369310 /nfs/dbraw/zinc/36/93/10/711369310.db2.gz VYJXRHSHARTTLC-LPWJVIDDSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCC2CC2)C[C@H]1C[NH3+] ZINC000397476387 711384006 /nfs/dbraw/zinc/38/40/06/711384006.db2.gz HFQJAQPCDHNTBE-YRGRVCCFSA-N 2 1 224.392 2.482 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000723052753 711497694 /nfs/dbraw/zinc/49/76/94/711497694.db2.gz SIUHCKFEBNJJQE-OLZOCXBDSA-N 2 1 222.376 2.108 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723670059 711533383 /nfs/dbraw/zinc/53/33/83/711533383.db2.gz NUBIUVPKHFTHBR-ZDUSSCGKSA-N 2 1 232.371 2.420 20 0 BEADMP Cc1cc(C)nc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000723877632 711542106 /nfs/dbraw/zinc/54/21/06/711542106.db2.gz XDTPCUYTHGCNKI-STQMWFEESA-N 2 1 233.359 2.010 20 0 BEADMP Cc1cc(C)nc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000723877632 711542109 /nfs/dbraw/zinc/54/21/09/711542109.db2.gz XDTPCUYTHGCNKI-STQMWFEESA-N 2 1 233.359 2.010 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCC1CC=CC1 ZINC000724130640 711564195 /nfs/dbraw/zinc/56/41/95/711564195.db2.gz IWHIFOKWKFIZDN-DGCLKSJQSA-N 2 1 208.349 2.073 20 0 BEADMP C[C@@H]1CC[C@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000309044628 711586370 /nfs/dbraw/zinc/58/63/70/711586370.db2.gz MFAZMKOYNSSASL-VXGBXAGGSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000382398350 711601814 /nfs/dbraw/zinc/60/18/14/711601814.db2.gz OZAKLGRPFRRQMX-CRWXNKLISA-N 2 1 224.392 2.493 20 0 BEADMP CC(F)(F)CCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000718639107 711662727 /nfs/dbraw/zinc/66/27/27/711662727.db2.gz ASUVOQXFKKKWMV-JTQLQIEISA-N 2 1 220.307 2.093 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccn1 ZINC000925714083 711712233 /nfs/dbraw/zinc/71/22/33/711712233.db2.gz NOVJDYRXKQYSJY-TZMCWYRMSA-N 2 1 245.370 2.059 20 0 BEADMP Fc1cccc(CC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000257649700 711723549 /nfs/dbraw/zinc/72/35/49/711723549.db2.gz CYNABYQMHUTYJI-HNNXBMFYSA-N 2 1 248.345 2.054 20 0 BEADMP Fc1cccc(CC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000257649700 711723550 /nfs/dbraw/zinc/72/35/50/711723550.db2.gz CYNABYQMHUTYJI-HNNXBMFYSA-N 2 1 248.345 2.054 20 0 BEADMP CC[C@@]1(C)CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000399452880 711747341 /nfs/dbraw/zinc/74/73/41/711747341.db2.gz IVVJIJRYMFYLDA-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]C2CC(SC)C2)[C@H](C)C1 ZINC000925170339 711786506 /nfs/dbraw/zinc/78/65/06/711786506.db2.gz MPAZCTVLTBBWCJ-IKWCTNDRSA-N 2 1 242.432 2.200 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000396644421 711795562 /nfs/dbraw/zinc/79/55/62/711795562.db2.gz BVFVVPSUNLZGTG-RWMBFGLXSA-N 2 1 208.349 2.073 20 0 BEADMP CSC(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159987183 711805145 /nfs/dbraw/zinc/80/51/45/711805145.db2.gz FIDBJERYUMMKLC-VXGBXAGGSA-N 2 1 242.432 2.344 20 0 BEADMP CC[C@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000700239997 711987991 /nfs/dbraw/zinc/98/79/91/711987991.db2.gz ZLVFKYMPDKSVLD-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP CSCC[C@@H](C)[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000700402472 711992231 /nfs/dbraw/zinc/99/22/31/711992231.db2.gz CFZNAAFXTJZHGK-OLZOCXBDSA-N 2 1 244.448 2.450 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1(Cl)CC1 ZINC000702253504 712041564 /nfs/dbraw/zinc/04/15/64/712041564.db2.gz AEKLUQZNDFZDEC-WDEREUQCSA-N 2 1 230.783 2.078 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1(Cl)CC1 ZINC000702253502 712041843 /nfs/dbraw/zinc/04/18/43/712041843.db2.gz AEKLUQZNDFZDEC-MNOVXSKESA-N 2 1 230.783 2.078 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C2(Cl)CC2)C1 ZINC000702253973 712041860 /nfs/dbraw/zinc/04/18/60/712041860.db2.gz BGIQPIHZUGOVRB-MNOVXSKESA-N 2 1 230.783 2.078 20 0 BEADMP CC(C)[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000703487092 712076778 /nfs/dbraw/zinc/07/67/78/712076778.db2.gz JHDNJNWIOFSCOQ-XQQFMLRXSA-N 2 1 210.365 2.234 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703597745 712080096 /nfs/dbraw/zinc/08/00/96/712080096.db2.gz WXNZPGQNQBMQJX-GOEBONIOSA-N 2 1 244.382 2.345 20 0 BEADMP C[C@H](C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)C(C)(C)C ZINC000703618901 712081247 /nfs/dbraw/zinc/08/12/47/712081247.db2.gz IOVGIGLONHPAAA-MBNYWOFBSA-N 2 1 224.392 2.210 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703600766 712081346 /nfs/dbraw/zinc/08/13/46/712081346.db2.gz KXOZOWQLQTVLNS-DZGCQCFKSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703600766 712081348 /nfs/dbraw/zinc/08/13/48/712081348.db2.gz KXOZOWQLQTVLNS-DZGCQCFKSA-N 2 1 248.345 2.175 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000706916697 712158295 /nfs/dbraw/zinc/15/82/95/712158295.db2.gz JKHPRCIGUVPUQA-QJPTWQEYSA-N 2 1 208.349 2.049 20 0 BEADMP CC(C)[C@@H]1C[N@@H+](CCC[NH2+]C2CC2)CCS1 ZINC000707165774 712166526 /nfs/dbraw/zinc/16/65/26/712166526.db2.gz DHNKKMKOMJGEKV-ZDUSSCGKSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H](C[N@H+]1CCCO[C@@H](C[NH3+])C1)CC(C)(C)C ZINC000709179881 712204062 /nfs/dbraw/zinc/20/40/62/712204062.db2.gz VCHZTLBBVNVQNA-OLZOCXBDSA-N 2 1 242.407 2.108 20 0 BEADMP C[NH2+][C@@H]1CC[N@H+](C[C@@H](C)CC(C)(C)C)C1 ZINC000709130693 712209769 /nfs/dbraw/zinc/20/97/69/712209769.db2.gz VTKIEAGPDKIXLY-NWDGAFQWSA-N 2 1 212.381 2.352 20 0 BEADMP C[NH2+][C@@H]1CC[N@@H+](C[C@@H](C)CC(C)(C)C)C1 ZINC000709130693 712209770 /nfs/dbraw/zinc/20/97/70/712209770.db2.gz VTKIEAGPDKIXLY-NWDGAFQWSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@H](C[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1)CC(C)(C)C ZINC000709154263 712210681 /nfs/dbraw/zinc/21/06/81/712210681.db2.gz UXIOQEPYHHSUJC-RWMBFGLXSA-N 2 1 242.407 2.107 20 0 BEADMP C[C@H](C[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1)CC(C)(C)C ZINC000709154263 712210684 /nfs/dbraw/zinc/21/06/84/712210684.db2.gz UXIOQEPYHHSUJC-RWMBFGLXSA-N 2 1 242.407 2.107 20 0 BEADMP Cc1ccc(C[N@@H+](C)CCCCCC[NH3+])cn1 ZINC000710778931 712256426 /nfs/dbraw/zinc/25/64/26/712256426.db2.gz DEFSCGMYNKBONP-UHFFFAOYSA-N 2 1 235.375 2.341 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])CC1CC=CC1 ZINC000710802835 712257510 /nfs/dbraw/zinc/25/75/10/712257510.db2.gz BVPSRWYRUODAGP-UHFFFAOYSA-N 2 1 210.365 2.404 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](CF)C1 ZINC000711417453 712299383 /nfs/dbraw/zinc/29/93/83/712299383.db2.gz VWQFIXDFWMODNR-VXGBXAGGSA-N 2 1 216.344 2.041 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H](CF)C1 ZINC000711417453 712299384 /nfs/dbraw/zinc/29/93/84/712299384.db2.gz VWQFIXDFWMODNR-VXGBXAGGSA-N 2 1 216.344 2.041 20 0 BEADMP FC[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000711444811 712300990 /nfs/dbraw/zinc/30/09/90/712300990.db2.gz RBAGMAGMPGNHIT-QWHCGFSZSA-N 2 1 228.355 2.058 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](CF)C2)CC[NH2+]1 ZINC000711463303 712304754 /nfs/dbraw/zinc/30/47/54/712304754.db2.gz VTLNKBUPHFJMJA-JHJVBQTASA-N 2 1 228.355 2.056 20 0 BEADMP C1=C[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000711719514 712319603 /nfs/dbraw/zinc/31/96/03/712319603.db2.gz NLZVNXMHPCJCER-MELADBBJSA-N 2 1 220.360 2.169 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@H+]([C@H]2C[C@H]2c2ccccc2)C1 ZINC000923480396 712335120 /nfs/dbraw/zinc/33/51/20/712335120.db2.gz YATFFCCWMYOXCQ-SNPRPXQTSA-N 2 1 230.355 2.213 20 0 BEADMP CC1(C)[C@@H]2C[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]21 ZINC000379558418 712388022 /nfs/dbraw/zinc/38/80/22/712388022.db2.gz LEMROXPLIKZJLC-LFAHVKQVSA-N 2 1 248.414 2.495 20 0 BEADMP C=C/C=C\CC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000713734695 712470421 /nfs/dbraw/zinc/47/04/21/712470421.db2.gz LGWNHINBKOSNGU-SCOBNMCVSA-N 2 1 208.349 2.322 20 0 BEADMP C=C/C=C\CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000713741422 712471351 /nfs/dbraw/zinc/47/13/51/712471351.db2.gz UNIIIYURTYLSOC-KVOUUQTQSA-N 2 1 220.360 2.178 20 0 BEADMP C[NH2+]C1CC[NH+](C[C@H]2CCCC(C)(C)O2)CC1 ZINC000714367784 712483980 /nfs/dbraw/zinc/48/39/80/712483980.db2.gz IKAPIJAZFRNZPU-CYBMUJFWSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC000714375369 712484684 /nfs/dbraw/zinc/48/46/84/712484684.db2.gz UFDZXQYYZGCQHZ-AVGNSLFASA-N 2 1 240.391 2.003 20 0 BEADMP C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)[C@@H]1C[C@H]1C1CC1 ZINC000714811450 712498187 /nfs/dbraw/zinc/49/81/87/712498187.db2.gz NBIFHYLEVQHTMT-OWCLPIDISA-N 2 1 248.414 2.498 20 0 BEADMP [NH3+]CC[C@H]1CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714881702 712498987 /nfs/dbraw/zinc/49/89/87/712498987.db2.gz YTLSNHHSWTYGFA-YUTCNCBUSA-N 2 1 222.376 2.093 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714835776 712501299 /nfs/dbraw/zinc/50/12/99/712501299.db2.gz YYAJOPGHISXIEK-RZFFKMDDSA-N 2 1 236.403 2.482 20 0 BEADMP C(CC1CC1)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000714998308 712503597 /nfs/dbraw/zinc/50/35/97/712503597.db2.gz FYCLRGAEUKYYSV-KBPBESRZSA-N 2 1 222.376 2.251 20 0 BEADMP C(CC1CC1)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000714998308 712503598 /nfs/dbraw/zinc/50/35/98/712503598.db2.gz FYCLRGAEUKYYSV-KBPBESRZSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCS2)CC[N@H+]1C ZINC000715603379 712527803 /nfs/dbraw/zinc/52/78/03/712527803.db2.gz PZIIYVAFCABIHT-FRRDWIJNSA-N 2 1 242.432 2.344 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCCC1CC1 ZINC000716369084 712556865 /nfs/dbraw/zinc/55/68/65/712556865.db2.gz FBJCKZAGVQRQFD-WCQYABFASA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000716622806 712568182 /nfs/dbraw/zinc/56/81/82/712568182.db2.gz JMZLDYSGVHZZMN-GYUQODATSA-N 2 1 248.414 2.493 20 0 BEADMP C[N@@H+](CCCF)Cc1cc2c(s1)CC[NH2+]C2 ZINC000716801050 712575057 /nfs/dbraw/zinc/57/50/57/712575057.db2.gz PIJDLFHQKCRSSI-UHFFFAOYSA-N 2 1 242.363 2.185 20 0 BEADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1ccsc1 ZINC000717310712 712646201 /nfs/dbraw/zinc/64/62/01/712646201.db2.gz ULSZIBKQCCKNCF-SNVBAGLBSA-N 2 1 246.326 2.083 20 0 BEADMP CC(F)(F)CCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000718569699 712775073 /nfs/dbraw/zinc/77/50/73/712775073.db2.gz GNWDQVKQDFBDLW-GFCCVEGCSA-N 2 1 232.318 2.107 20 0 BEADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[NH2+]CC1 ZINC000038086988 712806810 /nfs/dbraw/zinc/80/68/10/712806810.db2.gz FAAAFCDOFVYSCA-AWEZNQCLSA-N 2 1 218.344 2.433 20 0 BEADMP CC[C@H](C)C[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720805286 712867222 /nfs/dbraw/zinc/86/72/22/712867222.db2.gz LXPXVKPHNYVQSO-GUBZILKMSA-N 2 1 238.297 2.102 20 0 BEADMP CC[C@H](C)C[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720805285 712867396 /nfs/dbraw/zinc/86/73/96/712867396.db2.gz LXPXVKPHNYVQSO-AEJSXWLSSA-N 2 1 238.297 2.102 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CC2(C)CC(F)(F)C2)CC[N@H+]1C ZINC000720934291 712880259 /nfs/dbraw/zinc/88/02/59/712880259.db2.gz FUVCJNYCPMLIEE-WDEREUQCSA-N 2 1 246.345 2.494 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@H]3CCC[C@@H]3C2)C1 ZINC001208603361 957095063 /nfs/dbraw/zinc/09/50/63/957095063.db2.gz BYPRICAZJBJWSX-BFHYXJOUSA-N 2 1 222.376 2.060 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C[NH2+]1 ZINC000706558957 957973898 /nfs/dbraw/zinc/97/38/98/957973898.db2.gz DPUVXSNWBROHCR-CMPLNLGQSA-N 2 1 210.365 2.153 20 0 BEADMP CCOC1CCC([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000707371535 958486783 /nfs/dbraw/zinc/48/67/83/958486783.db2.gz PAYRVMQBJHMSQR-AHPWVWPOSA-N 2 1 240.391 2.064 20 0 BEADMP C[C@@H]1CCC[C@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000693579977 958869776 /nfs/dbraw/zinc/86/97/76/958869776.db2.gz RJVFKKJWQKFCJX-NDBYEHHHSA-N 2 1 210.365 2.234 20 0 BEADMP Cc1ccc(C[N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000693956624 959614436 /nfs/dbraw/zinc/61/44/36/959614436.db2.gz LFOOXEWIKLAFJY-PWSUYJOCSA-N 2 1 238.400 2.344 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C2(Cl)CC2)C1 ZINC000695635916 960310162 /nfs/dbraw/zinc/31/01/62/960310162.db2.gz DVDWPICQYNDOAZ-NWDGAFQWSA-N 2 1 244.810 2.468 20 0 BEADMP CCC[N@@H+](C)C1CC[NH+](CC2CC2)CC1 ZINC001168371400 964938348 /nfs/dbraw/zinc/93/83/48/964938348.db2.gz KWVBUFJJNRTCLS-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000157967281 965239702 /nfs/dbraw/zinc/23/97/02/965239702.db2.gz SAQMVCPTEJXAAY-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP CCCC[N@H+](CC)CC[NH2+][C@@H](C)CC ZINC000037479891 1165799285 /nfs/dbraw/zinc/79/92/85/1165799285.db2.gz AJRAYXGGPDVZOC-LBPRGKRZSA-N 2 1 200.370 2.497 20 0 BEADMP CCCC[N@@H+](CC)CC[NH2+][C@@H](C)CC ZINC000037479891 1165799291 /nfs/dbraw/zinc/79/92/91/1165799291.db2.gz AJRAYXGGPDVZOC-LBPRGKRZSA-N 2 1 200.370 2.497 20 0 BEADMP CC(C)[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001204128145 966896521 /nfs/dbraw/zinc/89/65/21/966896521.db2.gz IXJUVWXWBVTONI-YIYPIFLZSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CC1CCC(F)(F)CC1 ZINC001205171439 967409482 /nfs/dbraw/zinc/40/94/82/967409482.db2.gz QOWWQXZQAPZHTH-MWLCHTKSSA-N 2 1 232.318 2.233 20 0 BEADMP C[C@@]1([NH3+])CCC[N@@H+](CCC(F)(F)F)CC1 ZINC001205254802 967446133 /nfs/dbraw/zinc/44/61/33/967446133.db2.gz BMIHDERNEKAGOA-SECBINFHSA-N 2 1 224.270 2.142 20 0 BEADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccccc2)C1 ZINC001205803530 967827569 /nfs/dbraw/zinc/82/75/69/967827569.db2.gz HNOGRMZPJKRJBW-GXTWGEPZSA-N 2 1 218.344 2.246 20 0 BEADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccc2)C1 ZINC001205803530 967827570 /nfs/dbraw/zinc/82/75/70/967827570.db2.gz HNOGRMZPJKRJBW-GXTWGEPZSA-N 2 1 218.344 2.246 20 0 BEADMP COC(C)(C)CC[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205981915 967921256 /nfs/dbraw/zinc/92/12/56/967921256.db2.gz JBPQENOEYBIOTN-QWHCGFSZSA-N 2 1 242.407 2.108 20 0 BEADMP Cc1cc[nH+]c(C)c1N(CCC[NH3+])C(C)C ZINC001164127202 968176214 /nfs/dbraw/zinc/17/62/14/968176214.db2.gz PVYPPSMHZVQQMH-UHFFFAOYSA-N 2 1 221.348 2.262 20 0 BEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cnsc2)CC1 ZINC001206318537 968226084 /nfs/dbraw/zinc/22/60/84/968226084.db2.gz QYXPWAHZTNCHAL-LBPRGKRZSA-N 2 1 239.388 2.094 20 0 BEADMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000070628981 1165940603 /nfs/dbraw/zinc/94/06/03/1165940603.db2.gz ROPAHKDLQPTULG-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CCCC(CCC)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000070798673 1165952966 /nfs/dbraw/zinc/95/29/66/1165952966.db2.gz KUGBGCIBSVTUMC-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccc(C)cc1 ZINC000052424630 1165979282 /nfs/dbraw/zinc/97/92/82/1165979282.db2.gz YKIJJUSGTAMOMV-ZDUSSCGKSA-N 2 1 220.360 2.425 20 0 BEADMP CO[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)[C@@H](C)C1 ZINC001207284147 968701759 /nfs/dbraw/zinc/70/17/59/968701759.db2.gz KIERBJURAMPPAC-STQMWFEESA-N 2 1 242.407 2.074 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H](F)CC1 ZINC001207275223 968707450 /nfs/dbraw/zinc/70/74/50/968707450.db2.gz KHERJZPFYGQGIC-LBPRGKRZSA-N 2 1 230.371 2.398 20 0 BEADMP CC(C)O[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207282904 968718144 /nfs/dbraw/zinc/71/81/44/968718144.db2.gz QMJMXAJPUANYCY-ZDUSSCGKSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@H]1CCC[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207286406 968718712 /nfs/dbraw/zinc/71/87/12/968718712.db2.gz RANHSUUFQIQTLV-LBPRGKRZSA-N 2 1 212.381 2.449 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CC3CCC2CC3)CC1 ZINC001207398681 968751691 /nfs/dbraw/zinc/75/16/91/968751691.db2.gz IBGHJSSSHMMGEK-UHFFFAOYSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000398971071 1166117813 /nfs/dbraw/zinc/11/78/13/1166117813.db2.gz WBDZXLQYWUOUOZ-FDYHWXHSSA-N 2 1 210.365 2.295 20 0 BEADMP CCC[C@H](CC)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000129319886 1166172052 /nfs/dbraw/zinc/17/20/52/1166172052.db2.gz WHHLUDVWLDMIQX-AVGNSLFASA-N 2 1 212.381 2.495 20 0 BEADMP CCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000129319886 1166172055 /nfs/dbraw/zinc/17/20/55/1166172055.db2.gz WHHLUDVWLDMIQX-AVGNSLFASA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]CCc2cccs2)C[NH2+]1 ZINC000399240355 1166173578 /nfs/dbraw/zinc/17/35/78/1166173578.db2.gz INSRJERSQMHBNI-WDEREUQCSA-N 2 1 224.373 2.021 20 0 BEADMP C[C@@H]1C[C@@H](F)C[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208108605 969003608 /nfs/dbraw/zinc/00/36/08/969003608.db2.gz WRRMUQWUDUQTGM-VXGBXAGGSA-N 2 1 228.355 2.151 20 0 BEADMP C[NH+]1CCC(C)(C[N@H+]2CCC3(CC3)C2)CC1 ZINC001208108036 969004160 /nfs/dbraw/zinc/00/41/60/969004160.db2.gz NRHILHHXJDXOAX-UHFFFAOYSA-N 2 1 222.376 2.204 20 0 BEADMP C1CCC([N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC000129597957 1166205506 /nfs/dbraw/zinc/20/55/06/1166205506.db2.gz BFQMACKYCOYOOC-OCCSQVGLSA-N 2 1 222.376 2.393 20 0 BEADMP C1CCC([N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC000129597957 1166205510 /nfs/dbraw/zinc/20/55/10/1166205510.db2.gz BFQMACKYCOYOOC-OCCSQVGLSA-N 2 1 222.376 2.393 20 0 BEADMP C1CCC([N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC000129598418 1166206448 /nfs/dbraw/zinc/20/64/48/1166206448.db2.gz LFZNZAHWLOLOBD-YPMHNXCESA-N 2 1 208.349 2.003 20 0 BEADMP C1CCC([N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC000129598418 1166206453 /nfs/dbraw/zinc/20/64/53/1166206453.db2.gz LFZNZAHWLOLOBD-YPMHNXCESA-N 2 1 208.349 2.003 20 0 BEADMP C[N@H+]1CCC2(C1)CCN(c1cc[nH+]cc1)CC2 ZINC000224247393 1166221505 /nfs/dbraw/zinc/22/15/05/1166221505.db2.gz LKQMSYQRZVGGPM-UHFFFAOYSA-N 2 1 231.343 2.004 20 0 BEADMP CSCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000228873549 1166224058 /nfs/dbraw/zinc/22/40/58/1166224058.db2.gz MUPGEYUWBCQWLZ-VXGBXAGGSA-N 2 1 230.421 2.059 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C)C[C@H]2CF)CC1 ZINC001208593522 969149991 /nfs/dbraw/zinc/14/99/91/969149991.db2.gz VPJJBUQNQZVUSU-JSGCOSHPSA-N 2 1 242.382 2.398 20 0 BEADMP CC[NH+]1CCC(C[N@@H+](C)CC(C)C)CC1 ZINC001208595919 969151759 /nfs/dbraw/zinc/15/17/59/969151759.db2.gz XYGRNOUMXYEBJV-UHFFFAOYSA-N 2 1 212.381 2.306 20 0 BEADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208604401 969155641 /nfs/dbraw/zinc/15/56/41/969155641.db2.gz OIEZOHZUNMGNJU-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208604401 969155645 /nfs/dbraw/zinc/15/56/45/969155645.db2.gz OIEZOHZUNMGNJU-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC001208604401 969155647 /nfs/dbraw/zinc/15/56/47/969155647.db2.gz OIEZOHZUNMGNJU-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208604401 969155650 /nfs/dbraw/zinc/15/56/50/969155650.db2.gz OIEZOHZUNMGNJU-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC2)[C@@H](C)[C@H]1C ZINC000399667442 1166250401 /nfs/dbraw/zinc/25/04/01/1166250401.db2.gz MRNMZDUNXGKPEF-WOPDTQHZSA-N 2 1 210.365 2.105 20 0 BEADMP C[N@@H+](C[C@H]1CC1(C)C)C[C@H]1CCC[NH+](C)C1 ZINC001208607575 969159966 /nfs/dbraw/zinc/15/99/66/969159966.db2.gz DDHQDWOCYUXIQC-QWHCGFSZSA-N 2 1 224.392 2.306 20 0 BEADMP C[NH+](C[C@H]1CC1(C)C)C[C@H]1CCC[N@H+](C)C1 ZINC001208607575 969159970 /nfs/dbraw/zinc/15/99/70/969159970.db2.gz DDHQDWOCYUXIQC-QWHCGFSZSA-N 2 1 224.392 2.306 20 0 BEADMP C[NH+](C[C@H]1CC1(C)C)C[C@H]1CCC[N@@H+](C)C1 ZINC001208607575 969159974 /nfs/dbraw/zinc/15/99/74/969159974.db2.gz DDHQDWOCYUXIQC-QWHCGFSZSA-N 2 1 224.392 2.306 20 0 BEADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@](C)(F)C2)C1 ZINC001208607639 969160344 /nfs/dbraw/zinc/16/03/44/969160344.db2.gz MGQUZJLZCQXHRY-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@](C)(F)C2)C1 ZINC001208607639 969160352 /nfs/dbraw/zinc/16/03/52/969160352.db2.gz MGQUZJLZCQXHRY-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@](C)(F)C2)C1 ZINC001208607639 969160357 /nfs/dbraw/zinc/16/03/57/969160357.db2.gz MGQUZJLZCQXHRY-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@](C)(F)C2)C1 ZINC001208607639 969160362 /nfs/dbraw/zinc/16/03/62/969160362.db2.gz MGQUZJLZCQXHRY-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[C@H]1C[C@@H](CF)[N@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208609195 969161139 /nfs/dbraw/zinc/16/11/39/969161139.db2.gz YWZHLBHPEHURGK-XQQFMLRXSA-N 2 1 228.355 2.008 20 0 BEADMP C[C@H]1C[C@@H](CF)[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208609195 969161145 /nfs/dbraw/zinc/16/11/45/969161145.db2.gz YWZHLBHPEHURGK-XQQFMLRXSA-N 2 1 228.355 2.008 20 0 BEADMP C[C@H]1C[C@@H](CF)[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208609195 969161156 /nfs/dbraw/zinc/16/11/56/969161156.db2.gz YWZHLBHPEHURGK-XQQFMLRXSA-N 2 1 228.355 2.008 20 0 BEADMP C[C@H]1C[C@@H](CF)[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208609195 969161164 /nfs/dbraw/zinc/16/11/64/969161164.db2.gz YWZHLBHPEHURGK-XQQFMLRXSA-N 2 1 228.355 2.008 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@H](C(F)F)C2)C1 ZINC001208612793 969172653 /nfs/dbraw/zinc/17/26/53/969172653.db2.gz NZDJGQOJYFIZRE-NEPJUHHUSA-N 2 1 246.345 2.305 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@H](C(F)F)C2)C1 ZINC001208612793 969172656 /nfs/dbraw/zinc/17/26/56/969172656.db2.gz NZDJGQOJYFIZRE-NEPJUHHUSA-N 2 1 246.345 2.305 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@H](C(F)F)C2)C1 ZINC001208612793 969172661 /nfs/dbraw/zinc/17/26/61/969172661.db2.gz NZDJGQOJYFIZRE-NEPJUHHUSA-N 2 1 246.345 2.305 20 0 BEADMP CC(C)(C)c1cc(Nc2c[nH+]ncc2N)cc[nH+]1 ZINC001213164245 1166306856 /nfs/dbraw/zinc/30/68/56/1166306856.db2.gz LWAZERSTPFFJDS-UHFFFAOYSA-N 2 1 243.314 2.495 20 0 BEADMP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000225983628 1166347835 /nfs/dbraw/zinc/34/78/35/1166347835.db2.gz VZZSTNBUJKBISN-MELADBBJSA-N 2 1 222.376 2.108 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC13CC3)C2 ZINC001169124484 969424551 /nfs/dbraw/zinc/42/45/51/969424551.db2.gz DBQDOEJHLLCRGB-CLLJXQQHSA-N 2 1 220.360 2.240 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC13CC3)C2 ZINC001169124484 969424560 /nfs/dbraw/zinc/42/45/60/969424560.db2.gz DBQDOEJHLLCRGB-CLLJXQQHSA-N 2 1 220.360 2.240 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC13CC3)C2 ZINC001169124484 969424563 /nfs/dbraw/zinc/42/45/63/969424563.db2.gz DBQDOEJHLLCRGB-CLLJXQQHSA-N 2 1 220.360 2.240 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC13CC3)C2 ZINC001169124484 969424568 /nfs/dbraw/zinc/42/45/68/969424568.db2.gz DBQDOEJHLLCRGB-CLLJXQQHSA-N 2 1 220.360 2.240 20 0 BEADMP CC(C)CC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000250599428 1166414024 /nfs/dbraw/zinc/41/40/24/1166414024.db2.gz QOFSURIPVBSVAS-STQMWFEESA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)(CC[NH2+][C@H]1CCC[NH2+]C1)C1CC1 ZINC000328563525 1166475528 /nfs/dbraw/zinc/47/55/28/1166475528.db2.gz JIVCEKKUMJWWOX-LBPRGKRZSA-N 2 1 210.365 2.154 20 0 BEADMP C[NH+]1CCC([NH2+]CC(C)(C)CC(F)F)CC1 ZINC000694007026 1166481894 /nfs/dbraw/zinc/48/18/94/1166481894.db2.gz KMHSXVMZOFGVAV-UHFFFAOYSA-N 2 1 234.334 2.352 20 0 BEADMP C[N@@H+](C[C@H]1CC1(C)C)[C@H]1CCC[NH+](C)CC1 ZINC001254524848 969699698 /nfs/dbraw/zinc/69/96/98/969699698.db2.gz CVKZBRJJLWACKF-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+](C[C@H]1CC1(C)C)[C@H]1CCC[N@H+](C)CC1 ZINC001254524848 969699710 /nfs/dbraw/zinc/69/97/10/969699710.db2.gz CVKZBRJJLWACKF-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+](C[C@H]1CC1(C)C)[C@H]1CCC[N@@H+](C)CC1 ZINC001254524848 969699718 /nfs/dbraw/zinc/69/97/18/969699718.db2.gz CVKZBRJJLWACKF-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP CC1CC([N@@H+](C)[C@@H]2CCC[NH+](C)CC2)C1 ZINC001254517239 969703750 /nfs/dbraw/zinc/70/37/50/969703750.db2.gz SOFLMXVDLFWUNY-OTTFEQOBSA-N 2 1 210.365 2.201 20 0 BEADMP CC1CC([NH+](C)[C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254517239 969703760 /nfs/dbraw/zinc/70/37/60/969703760.db2.gz SOFLMXVDLFWUNY-OTTFEQOBSA-N 2 1 210.365 2.201 20 0 BEADMP CC1CC([NH+](C)[C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254517239 969703770 /nfs/dbraw/zinc/70/37/70/969703770.db2.gz SOFLMXVDLFWUNY-OTTFEQOBSA-N 2 1 210.365 2.201 20 0 BEADMP CCCCC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000154707187 1166505224 /nfs/dbraw/zinc/50/52/24/1166505224.db2.gz YIXRUPFDEHSDSF-UHFFFAOYSA-N 2 1 212.381 2.450 20 0 BEADMP CCc1cccc(NCC[C@H]2CCC[NH2+]2)[nH+]1 ZINC001169568162 969766088 /nfs/dbraw/zinc/76/60/88/969766088.db2.gz RYNQYYSAPWPCID-GFCCVEGCSA-N 2 1 219.332 2.198 20 0 BEADMP COc1ccccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC000216200340 1166539114 /nfs/dbraw/zinc/53/91/14/1166539114.db2.gz DKDYIVGFLHMBQM-ZDUSSCGKSA-N 2 1 234.343 2.008 20 0 BEADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H](C)COC)CC1 ZINC001255577376 970377068 /nfs/dbraw/zinc/37/70/68/970377068.db2.gz FXVLNILSEYPAQW-ZDUSSCGKSA-N 2 1 242.407 2.218 20 0 BEADMP COC(C)(C)C[N@@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000379292913 1166702946 /nfs/dbraw/zinc/70/29/46/1166702946.db2.gz LDSRIHXMYGJIMI-UHFFFAOYSA-N 2 1 236.359 2.002 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2CC23CCCCC3)CC1 ZINC000395626998 1166721361 /nfs/dbraw/zinc/72/13/61/1166721361.db2.gz DHQCKMXMIAXECS-ZDUSSCGKSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@@H](CC(F)(F)F)n1cc[nH+]c1CCC[NH3+] ZINC001255647555 970428135 /nfs/dbraw/zinc/42/81/35/970428135.db2.gz YENYACOVVZRRLZ-QMMMGPOBSA-N 2 1 235.253 2.288 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cs1 ZINC000379804120 1166789814 /nfs/dbraw/zinc/78/98/14/1166789814.db2.gz NGYUNVRQWFYTBL-JQWIXIFHSA-N 2 1 224.373 2.226 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cs1 ZINC000379804129 1166790613 /nfs/dbraw/zinc/79/06/13/1166790613.db2.gz NGYUNVRQWFYTBL-ZYHUDNBSSA-N 2 1 224.373 2.226 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cs1 ZINC000379962032 1166818605 /nfs/dbraw/zinc/81/86/05/1166818605.db2.gz NBFUPQFNUYPWQX-GFCCVEGCSA-N 2 1 224.373 2.227 20 0 BEADMP CCC[N@@H+](CCOC)[C@H](C)CC[NH+](CC)CC ZINC001255954236 970588911 /nfs/dbraw/zinc/58/89/11/970588911.db2.gz BISFIUMNUDHUMG-CQSZACIVSA-N 2 1 244.423 2.465 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@H]2CCc3c2cccc3F)C1 ZINC000252770685 1166832389 /nfs/dbraw/zinc/83/23/89/1166832389.db2.gz LEATTXCNFOHCNM-PGUXBMHVSA-N 2 1 248.345 2.482 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001255957639 970595364 /nfs/dbraw/zinc/59/53/64/970595364.db2.gz UAHHAURNUZOCAP-UPJWGTAASA-N 2 1 210.365 2.059 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)[C@H]1CCCOC1 ZINC001255969065 970606127 /nfs/dbraw/zinc/60/61/27/970606127.db2.gz STUBICAUXABXCL-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167898231 1166897695 /nfs/dbraw/zinc/89/76/95/1166897695.db2.gz QDGXRGHPYIDNCU-IGQOVBAYSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@H]1C[C@@H]([N@H+]2CCC3(CCCC3)C2)CC[NH2+]1 ZINC000304318486 1166911954 /nfs/dbraw/zinc/91/19/54/1166911954.db2.gz BWBHUZCCDWLWFP-STQMWFEESA-N 2 1 222.376 2.393 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@H]2CCC(C)(C)C2)CC1 ZINC001256199340 970695384 /nfs/dbraw/zinc/69/53/84/970695384.db2.gz MPMALCDFTYSNJN-LBPRGKRZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1C[N@H+](C2CC[NH+](C)CC2)CCC[C@@H]1C ZINC001256202667 970703824 /nfs/dbraw/zinc/70/38/24/970703824.db2.gz KIUSKNXULFYMNS-STQMWFEESA-N 2 1 224.392 2.449 20 0 BEADMP C[C@H]1C[N@@H+](C2CC[NH+](C)CC2)CCC[C@@H]1C ZINC001256202667 970703830 /nfs/dbraw/zinc/70/38/30/970703830.db2.gz KIUSKNXULFYMNS-STQMWFEESA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+]1CCC([N@@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC001256209562 970708393 /nfs/dbraw/zinc/70/83/93/970708393.db2.gz YKTPXKSSEMJLBB-JSGCOSHPSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC([N@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC001256209562 970708409 /nfs/dbraw/zinc/70/84/09/970708409.db2.gz YKTPXKSSEMJLBB-JSGCOSHPSA-N 2 1 222.376 2.345 20 0 BEADMP CCSC[C@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001173306734 975212305 /nfs/dbraw/zinc/21/23/05/975212305.db2.gz PYPRCPMWRXDUKJ-LBPRGKRZSA-N 2 1 244.448 2.402 20 0 BEADMP CCSC[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001173311908 975224662 /nfs/dbraw/zinc/22/46/62/975224662.db2.gz QZDQVNBTCOLVNS-OLZOCXBDSA-N 2 1 242.432 2.156 20 0 BEADMP CCSC[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001173311908 975224671 /nfs/dbraw/zinc/22/46/71/975224671.db2.gz QZDQVNBTCOLVNS-OLZOCXBDSA-N 2 1 242.432 2.156 20 0 BEADMP CC(C)CC[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453601764 1167077677 /nfs/dbraw/zinc/07/76/77/1167077677.db2.gz VPSADIUPPWUMMU-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP C1CC1[NH+]1CCC([NH2+][C@H]2CC23CCC3)CC1 ZINC000721205761 975293877 /nfs/dbraw/zinc/29/38/77/975293877.db2.gz FMVJHSNTQZBXSS-ZDUSSCGKSA-N 2 1 220.360 2.145 20 0 BEADMP CS[C@@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000382903054 1167112308 /nfs/dbraw/zinc/11/23/08/1167112308.db2.gz CGWQYBXQACLESZ-GFCCVEGCSA-N 2 1 230.421 2.333 20 0 BEADMP Cc1sccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206200440 975378111 /nfs/dbraw/zinc/37/81/11/975378111.db2.gz RPYGJNMGQYKAIO-RYUDHWBXSA-N 2 1 242.363 2.318 20 0 BEADMP C[C@]1([NH3+])CC[N@H+](CCCC2CCCC2)C1 ZINC001204763924 1167184889 /nfs/dbraw/zinc/18/48/89/1167184889.db2.gz SPWNWCMJZUEUCS-ZDUSSCGKSA-N 2 1 210.365 2.380 20 0 BEADMP C[C@]1([NH3+])CC[N@@H+](CCCC2CCCC2)C1 ZINC001204763924 1167184895 /nfs/dbraw/zinc/18/48/95/1167184895.db2.gz SPWNWCMJZUEUCS-ZDUSSCGKSA-N 2 1 210.365 2.380 20 0 BEADMP CC(C)C[C@H](C)[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000308832366 1167203283 /nfs/dbraw/zinc/20/32/83/1167203283.db2.gz UTLLHFQVUMCFIG-ZDEQEGDKSA-N 2 1 212.381 2.397 20 0 BEADMP CSCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000308965595 1167228162 /nfs/dbraw/zinc/22/81/62/1167228162.db2.gz VIRZNEKWQAFYLR-SRVKXCTJSA-N 2 1 230.421 2.058 20 0 BEADMP CSCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000308965595 1167228167 /nfs/dbraw/zinc/22/81/67/1167228167.db2.gz VIRZNEKWQAFYLR-SRVKXCTJSA-N 2 1 230.421 2.058 20 0 BEADMP CC(C)[C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000385505076 1167393773 /nfs/dbraw/zinc/39/37/73/1167393773.db2.gz LOWIRHOQTCDEET-RYUDHWBXSA-N 2 1 212.381 2.338 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2CC[C@]3(CC[NH2+]C3)C2)C[C@@H](C)C1 ZINC000310143899 1167422746 /nfs/dbraw/zinc/42/27/46/1167422746.db2.gz DUSUNTAUQCIRJV-YJNKXOJESA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]3CCC[C@@H]32)C[NH2+]1 ZINC000227168450 1167446688 /nfs/dbraw/zinc/44/66/88/1167446688.db2.gz VEUCWUGYRDUPKE-RFGFWPKPSA-N 2 1 222.376 2.391 20 0 BEADMP C[N@H+](CCOC(C)(C)C)C1(C[NH3+])CCCCC1 ZINC000132848178 1167459160 /nfs/dbraw/zinc/45/91/60/1167459160.db2.gz DCDOBLIUUKKIRK-UHFFFAOYSA-N 2 1 242.407 2.395 20 0 BEADMP C[N@@H+](CCOC(C)(C)C)C1(C[NH3+])CCCCC1 ZINC000132848178 1167459166 /nfs/dbraw/zinc/45/91/66/1167459166.db2.gz DCDOBLIUUKKIRK-UHFFFAOYSA-N 2 1 242.407 2.395 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000215787531 1167478701 /nfs/dbraw/zinc/47/87/01/1167478701.db2.gz NESCTUXHFZOEPS-ZDUSSCGKSA-N 2 1 210.365 2.380 20 0 BEADMP CCC[N@@H+](CC(C)C)CC1CC[NH2+]CC1 ZINC000086701946 1167640669 /nfs/dbraw/zinc/64/06/69/1167640669.db2.gz YHYUKEIEWYLDRD-UHFFFAOYSA-N 2 1 212.381 2.354 20 0 BEADMP CCC[N@@H+](CC1CC[NH2+]CC1)[C@H](C)CC ZINC000086701985 1167640913 /nfs/dbraw/zinc/64/09/13/1167640913.db2.gz JTFNNRSGNRGPTC-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2C=CCC2)c2ccccc21 ZINC000698268334 1167643823 /nfs/dbraw/zinc/64/38/23/1167643823.db2.gz WNMUSLHFJSKRSR-HONMWMINSA-N 2 1 214.312 2.439 20 0 BEADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2C=CCC2)c2ccccc21 ZINC000698268335 1167643890 /nfs/dbraw/zinc/64/38/90/1167643890.db2.gz WNMUSLHFJSKRSR-LERXQTSPSA-N 2 1 214.312 2.439 20 0 BEADMP C[C@]1(C[NH3+])CCC[N@@H+](CCC(F)(F)F)CC1 ZINC001206293141 978293101 /nfs/dbraw/zinc/29/31/01/978293101.db2.gz GJXATGNLIXMBKE-JTQLQIEISA-N 2 1 238.297 2.390 20 0 BEADMP CCOC(C)(C)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206295682 978298758 /nfs/dbraw/zinc/29/87/58/978298758.db2.gz MWLGOGAIRKNMMA-CQSZACIVSA-N 2 1 242.407 2.252 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)C1 ZINC000128513201 1167811721 /nfs/dbraw/zinc/81/17/21/1167811721.db2.gz NZQYHBXXNWABJZ-UPJWGTAASA-N 2 1 210.365 2.249 20 0 BEADMP CCCC[C@H](CC)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235007488 978950246 /nfs/dbraw/zinc/95/02/46/978950246.db2.gz OUISFNUOCAIFDM-MELADBBJSA-N 2 1 224.392 2.497 20 0 BEADMP CCCC[C@H](CC)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235007488 978950251 /nfs/dbraw/zinc/95/02/51/978950251.db2.gz OUISFNUOCAIFDM-MELADBBJSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)CC(C)(C)C ZINC001235711803 979129903 /nfs/dbraw/zinc/12/99/03/979129903.db2.gz BDPZIVXWZUVVSH-NSHDSACASA-N 2 1 228.380 2.079 20 0 BEADMP C[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)CC(C)(C)C ZINC001235711803 979129909 /nfs/dbraw/zinc/12/99/09/979129909.db2.gz BDPZIVXWZUVVSH-NSHDSACASA-N 2 1 228.380 2.079 20 0 BEADMP CC/C=C\CCC[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC001236068295 979359027 /nfs/dbraw/zinc/35/90/27/979359027.db2.gz XQBRMCUKSDFHQY-DSYXLKISSA-N 2 1 210.365 2.274 20 0 BEADMP [NH3+]CCCC[N@H+]1CCSc2ccccc2C1 ZINC001236241506 979464228 /nfs/dbraw/zinc/46/42/28/979464228.db2.gz SRTROGRQMAERSB-UHFFFAOYSA-N 2 1 236.384 2.333 20 0 BEADMP C[NH+](C)CCCNc1cc[nH+]cc1Cl ZINC000086833021 1168315838 /nfs/dbraw/zinc/31/58/38/1168315838.db2.gz YLFAEADQSRHMSK-UHFFFAOYSA-N 2 1 213.712 2.099 20 0 BEADMP C(C[N@H+]1CCCC[C@@]12CC[NH2+]C2)C1CC1 ZINC000257653988 1168334373 /nfs/dbraw/zinc/33/43/73/1168334373.db2.gz DYQIHSAJEAAOMH-ZDUSSCGKSA-N 2 1 208.349 2.005 20 0 BEADMP C[C@@H]1CCC[C@@H]([N@@H+](C)CCC[NH+](C)C)C1 ZINC000337344929 1168458918 /nfs/dbraw/zinc/45/89/18/1168458918.db2.gz ZMYRPGAQZSZVOK-CHWSQXEVSA-N 2 1 212.381 2.449 20 0 BEADMP COc1cc(C)[nH+]cc1C1=CCC[NH2+]CC1 ZINC001238944154 980366012 /nfs/dbraw/zinc/36/60/12/980366012.db2.gz FOWRDEQODFYZJC-UHFFFAOYSA-N 2 1 218.300 2.165 20 0 BEADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)CC(C)(C)C ZINC000389602820 1168485264 /nfs/dbraw/zinc/48/52/64/1168485264.db2.gz VYXANIFCJRERRA-GFCCVEGCSA-N 2 1 212.381 2.354 20 0 BEADMP [NH3+]C[C@]1(F)CCC[N@@H+](CC2CCCC2)CC1 ZINC001205539364 980915394 /nfs/dbraw/zinc/91/53/94/980915394.db2.gz XNUIAAOOYZFZKW-ZDUSSCGKSA-N 2 1 228.355 2.330 20 0 BEADMP Cc1c[nH+]c2n1CCC21CC[NH+](CC2CC2)CC1 ZINC001201918264 1168843740 /nfs/dbraw/zinc/84/37/40/1168843740.db2.gz GURKLSYAPDQUGS-UHFFFAOYSA-N 2 1 245.370 2.339 20 0 BEADMP Cc1cc(F)cc(NCC[C@@H](C)[NH+](C)C)[nH+]1 ZINC001354236014 983213250 /nfs/dbraw/zinc/21/32/50/983213250.db2.gz JUOGOVFOWOWZLX-SNVBAGLBSA-N 2 1 225.311 2.281 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12)C1CCCC1 ZINC001308983265 1169056369 /nfs/dbraw/zinc/05/63/69/1169056369.db2.gz BVPJGNMQJYRLQU-ZGKBOVNRSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@H]1C[C@@H]1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001276034161 1169064007 /nfs/dbraw/zinc/06/40/07/1169064007.db2.gz RFFDYTGSCGCPMB-UONOGXRCSA-N 2 1 236.403 2.450 20 0 BEADMP C[C@@H]1C[C@H]1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001276034158 1169065096 /nfs/dbraw/zinc/06/50/96/1169065096.db2.gz RFFDYTGSCGCPMB-KGLIPLIRSA-N 2 1 236.403 2.450 20 0 BEADMP CCCCCC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001201754373 983460932 /nfs/dbraw/zinc/46/09/32/983460932.db2.gz WEVXXNMWZWQUIF-UHFFFAOYSA-N 2 1 221.348 2.322 20 0 BEADMP CCCCCC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001201754373 983460948 /nfs/dbraw/zinc/46/09/48/983460948.db2.gz WEVXXNMWZWQUIF-UHFFFAOYSA-N 2 1 221.348 2.322 20 0 BEADMP CN1CCC[C@H]2C[N@@H+](CC3CCCC3)C[C@@H]21 ZINC001202190295 983592722 /nfs/dbraw/zinc/59/27/22/983592722.db2.gz NOAQXSRFJVFOON-KBPBESRZSA-N 2 1 222.376 2.203 20 0 BEADMP CO[C@@H]1CC[C@@H](C)[N@@H+](CCCCCCC[NH3+])C1 ZINC000687197960 1169123078 /nfs/dbraw/zinc/12/30/78/1169123078.db2.gz UXZMLYLYFISVFH-ZIAGYGMSSA-N 2 1 242.407 2.395 20 0 BEADMP CCOCC[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC001172424077 974699010 /nfs/dbraw/zinc/69/90/10/974699010.db2.gz MQXZPCBSJBOARR-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP CC[C@@H](CC(C)C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001172399313 974759401 /nfs/dbraw/zinc/75/94/01/974759401.db2.gz BMLGWVFMQQMYTB-MJBXVCDLSA-N 2 1 224.392 2.305 20 0 BEADMP CC[C@@H](CC(C)C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001172399313 974759412 /nfs/dbraw/zinc/75/94/12/974759412.db2.gz BMLGWVFMQQMYTB-MJBXVCDLSA-N 2 1 224.392 2.305 20 0 BEADMP CC[C@@H](CC(C)C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001172399313 974759420 /nfs/dbraw/zinc/75/94/20/974759420.db2.gz BMLGWVFMQQMYTB-MJBXVCDLSA-N 2 1 224.392 2.305 20 0 BEADMP CC(C)OCC[C@H](C)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001172449216 974812717 /nfs/dbraw/zinc/81/27/17/974812717.db2.gz QQDZANGCNKQTND-HSBZDZAISA-N 2 1 242.407 2.392 20 0 BEADMP C[C@H](CC(F)(F)F)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246589589 972993131 /nfs/dbraw/zinc/99/31/31/972993131.db2.gz SSIDMUYCUBALBU-VGMNWLOBSA-N 2 1 242.260 2.089 20 0 BEADMP C[C@H]1C[C@H]([NH+]2CC3(C[NH2+]C3)C2)CC(C)(C)C1 ZINC001246612080 973032190 /nfs/dbraw/zinc/03/21/90/973032190.db2.gz FKRKSSUGXRYANH-RYUDHWBXSA-N 2 1 222.376 2.106 20 0 BEADMP [NH3+]C[C@@H]1CCCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000402202313 970767793 /nfs/dbraw/zinc/76/77/93/970767793.db2.gz FFNWMHXUHCUFJO-KBPBESRZSA-N 2 1 222.376 2.404 20 0 BEADMP C[C@@H]1C[N@H+](CCCc2ccc(F)cc2)C[C@H]1[NH3+] ZINC001206053275 970815153 /nfs/dbraw/zinc/81/51/53/970815153.db2.gz PHDOQYZDJTVENW-BXUZGUMPSA-N 2 1 236.334 2.037 20 0 BEADMP C[C@@H]1C[N@@H+](CCCc2ccc(F)cc2)C[C@H]1[NH3+] ZINC001206053275 970815160 /nfs/dbraw/zinc/81/51/60/970815160.db2.gz PHDOQYZDJTVENW-BXUZGUMPSA-N 2 1 236.334 2.037 20 0 BEADMP CCOC1CCC([N@@H+](C)CCC[NH+](C)C)CC1 ZINC001256437308 970841824 /nfs/dbraw/zinc/84/18/24/970841824.db2.gz XVANKYZKJQOTQN-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP C[C@@H]1C[C@H](NC=[NH2+])CC[N@H+]1Cc1ccccc1 ZINC001256523202 970856294 /nfs/dbraw/zinc/85/62/94/970856294.db2.gz NKWUVTBBYQAROC-TZMCWYRMSA-N 2 1 231.343 2.236 20 0 BEADMP C[C@@H]1C[C@@H](NC=[NH2+])CC[N@H+]1Cc1ccccc1 ZINC001256523200 970856398 /nfs/dbraw/zinc/85/63/98/970856398.db2.gz NKWUVTBBYQAROC-OCCSQVGLSA-N 2 1 231.343 2.236 20 0 BEADMP C[C@H]1CC[N@@H+]1C1CC[NH+](C(C)(C)C)CC1 ZINC001256569494 970868928 /nfs/dbraw/zinc/86/89/28/970868928.db2.gz HFGMIVCBSYJEGX-NSHDSACASA-N 2 1 210.365 2.344 20 0 BEADMP C[C@H]1CC[N@H+]1C1CC[NH+](C(C)(C)C)CC1 ZINC001256569494 970868932 /nfs/dbraw/zinc/86/89/32/970868932.db2.gz HFGMIVCBSYJEGX-NSHDSACASA-N 2 1 210.365 2.344 20 0 BEADMP CC[N@H+](C1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256621151 970888052 /nfs/dbraw/zinc/88/80/52/970888052.db2.gz LENVIXQTYZSONT-FUNVUKJBSA-N 2 1 208.349 2.096 20 0 BEADMP CC[N@@H+](C1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256621151 970888053 /nfs/dbraw/zinc/88/80/53/970888053.db2.gz LENVIXQTYZSONT-FUNVUKJBSA-N 2 1 208.349 2.096 20 0 BEADMP CC[NH+](C1CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256621151 970888056 /nfs/dbraw/zinc/88/80/56/970888056.db2.gz LENVIXQTYZSONT-FUNVUKJBSA-N 2 1 208.349 2.096 20 0 BEADMP CC[NH+](C1CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256621151 970888060 /nfs/dbraw/zinc/88/80/60/970888060.db2.gz LENVIXQTYZSONT-FUNVUKJBSA-N 2 1 208.349 2.096 20 0 BEADMP CC[C@H]1CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628258 970892449 /nfs/dbraw/zinc/89/24/49/970892449.db2.gz YFNNESGIUXTJBM-ICIURTGMSA-N 2 1 222.376 2.486 20 0 BEADMP CC[C@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628258 970892457 /nfs/dbraw/zinc/89/24/57/970892457.db2.gz YFNNESGIUXTJBM-ICIURTGMSA-N 2 1 222.376 2.486 20 0 BEADMP CC[C@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256628258 970892462 /nfs/dbraw/zinc/89/24/62/970892462.db2.gz YFNNESGIUXTJBM-ICIURTGMSA-N 2 1 222.376 2.486 20 0 BEADMP CC[C@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256628258 970892466 /nfs/dbraw/zinc/89/24/66/970892466.db2.gz YFNNESGIUXTJBM-ICIURTGMSA-N 2 1 222.376 2.486 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257073717 971090039 /nfs/dbraw/zinc/09/00/39/971090039.db2.gz TWRIWVWHUAPISW-CLLJXQQHSA-N 2 1 228.380 2.003 20 0 BEADMP CCC[N@@H+](CCC[NH3+])C1C[C@@H](C)O[C@H](C)C1 ZINC001257073719 971090375 /nfs/dbraw/zinc/09/03/75/971090375.db2.gz TWRIWVWHUAPISW-VXGBXAGGSA-N 2 1 228.380 2.003 20 0 BEADMP C[C@@H]1CCC[N@@H+](C/C=C\Cl)[C@H]1CC[NH3+] ZINC000404368518 971158539 /nfs/dbraw/zinc/15/85/39/971158539.db2.gz QEZLGAGLQVDZBW-APUFIWCYSA-N 2 1 216.756 2.188 20 0 BEADMP CC(C)O[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000404676150 971177882 /nfs/dbraw/zinc/17/78/82/971177882.db2.gz XZAQFLARIWEKBQ-CQSZACIVSA-N 2 1 240.391 2.018 20 0 BEADMP CCC(CC)[N@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001257303968 971191611 /nfs/dbraw/zinc/19/16/11/971191611.db2.gz WAPTUQXMKHOENY-YPMHNXCESA-N 2 1 210.365 2.201 20 0 BEADMP CCC(CC)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001257302926 971193202 /nfs/dbraw/zinc/19/32/02/971193202.db2.gz GCGPAICPDYQSOK-CYBMUJFWSA-N 2 1 210.365 2.203 20 0 BEADMP CCC(CC)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001257302926 971193212 /nfs/dbraw/zinc/19/32/12/971193212.db2.gz GCGPAICPDYQSOK-CYBMUJFWSA-N 2 1 210.365 2.203 20 0 BEADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccccc2F)C12CCC2 ZINC000405297581 971232927 /nfs/dbraw/zinc/23/29/27/971232927.db2.gz GXUZCMZUSFFWDG-QWHCGFSZSA-N 2 1 234.318 2.185 20 0 BEADMP CCCCCC[C@H](C)[NH2+]CCC[N@@H+](C)CCO ZINC001257359251 971273295 /nfs/dbraw/zinc/27/32/95/971273295.db2.gz NJBZNYWXYWXABY-AWEZNQCLSA-N 2 1 244.423 2.249 20 0 BEADMP C[C@]1([NH3+])CC[N@@H+](CCC2CCCCC2)C1 ZINC000405794947 971313656 /nfs/dbraw/zinc/31/36/56/971313656.db2.gz MZKNBBXOUIZJMJ-ZDUSSCGKSA-N 2 1 210.365 2.380 20 0 BEADMP CC(C)(CC[N@@H+]1C[C@H]([NH3+])C(C)(C)C1)C1CC1 ZINC000406049746 971348459 /nfs/dbraw/zinc/34/84/59/971348459.db2.gz GLDQQWLNOQGPCK-LBPRGKRZSA-N 2 1 224.392 2.482 20 0 BEADMP CC(C)(CC[N@H+]1C[C@H]([NH3+])C(C)(C)C1)C1CC1 ZINC000406049746 971348464 /nfs/dbraw/zinc/34/84/64/971348464.db2.gz GLDQQWLNOQGPCK-LBPRGKRZSA-N 2 1 224.392 2.482 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@@H+](C3CCCCC3)C2)C1 ZINC001257459029 971381057 /nfs/dbraw/zinc/38/10/57/971381057.db2.gz KZXJRULAGDOZLZ-AWEZNQCLSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@H+](C3CCCCC3)C2)C1 ZINC001257459029 971381062 /nfs/dbraw/zinc/38/10/62/971381062.db2.gz KZXJRULAGDOZLZ-AWEZNQCLSA-N 2 1 222.376 2.347 20 0 BEADMP c1cn2c([nH+]1)CC[N@H+](C1CCCCC1)CC2 ZINC001257459507 971381374 /nfs/dbraw/zinc/38/13/74/971381374.db2.gz WEXDEHVDEDILHG-UHFFFAOYSA-N 2 1 219.332 2.074 20 0 BEADMP c1cn2c([nH+]1)CC[N@@H+](C1CCCCC1)CC2 ZINC001257459507 971381380 /nfs/dbraw/zinc/38/13/80/971381380.db2.gz WEXDEHVDEDILHG-UHFFFAOYSA-N 2 1 219.332 2.074 20 0 BEADMP CCOC(=[NH2+])CCCCOC1CC[NH+](C)CC1 ZINC001224960429 974101917 /nfs/dbraw/zinc/10/19/17/974101917.db2.gz BZCJHTNOWRIERD-UHFFFAOYSA-N 2 1 242.363 2.281 20 0 BEADMP C1C[NH+](C2CC[NH+]([C@H]3CCCSC3)CC2)C1 ZINC001257685431 971489022 /nfs/dbraw/zinc/48/90/22/971489022.db2.gz OLXXQSCKZGIAMO-ZDUSSCGKSA-N 2 1 240.416 2.052 20 0 BEADMP CC[N@@H+](C)C1CC[NH+]([C@H]2CCCSC2)CC1 ZINC001257684454 971490231 /nfs/dbraw/zinc/49/02/31/971490231.db2.gz SZGBPQQDBIBUPY-ZDUSSCGKSA-N 2 1 242.432 2.298 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](CC2CCCCC2)CC[C@H]1F ZINC001206153975 974317200 /nfs/dbraw/zinc/31/72/00/974317200.db2.gz FVGVMSGWZCJPJJ-CHWSQXEVSA-N 2 1 228.355 2.328 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](CC2CCCCC2)CC[C@H]1F ZINC001206153975 974317210 /nfs/dbraw/zinc/31/72/10/974317210.db2.gz FVGVMSGWZCJPJJ-CHWSQXEVSA-N 2 1 228.355 2.328 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1(CF)CC1)C2 ZINC001172101177 974327473 /nfs/dbraw/zinc/32/74/73/974327473.db2.gz XESAEWKNTLPRTL-CNDDSTCGSA-N 2 1 226.339 2.093 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(CF)CC1)C2 ZINC001172101177 974327490 /nfs/dbraw/zinc/32/74/90/974327490.db2.gz XESAEWKNTLPRTL-CNDDSTCGSA-N 2 1 226.339 2.093 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170724412 971653861 /nfs/dbraw/zinc/65/38/61/971653861.db2.gz JIVZODBRRWHDKH-YIYPIFLZSA-N 2 1 236.403 2.495 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170724409 971655941 /nfs/dbraw/zinc/65/59/41/971655941.db2.gz JIVZODBRRWHDKH-FQUUOJAGSA-N 2 1 236.403 2.495 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(C)CC1)C2 ZINC001172101165 974332378 /nfs/dbraw/zinc/33/23/78/974332378.db2.gz XECFOYRXXZCICW-CNDDSTCGSA-N 2 1 208.349 2.144 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(C)CC1)C2 ZINC001172101165 974332383 /nfs/dbraw/zinc/33/23/83/974332383.db2.gz XECFOYRXXZCICW-CNDDSTCGSA-N 2 1 208.349 2.144 20 0 BEADMP CC(C)(C)CC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156189 974340223 /nfs/dbraw/zinc/34/02/23/974340223.db2.gz OLHMMTCTTGJHCP-GHMZBOCLSA-N 2 1 216.344 2.184 20 0 BEADMP CC(C)(C)CC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156189 974340228 /nfs/dbraw/zinc/34/02/28/974340228.db2.gz OLHMMTCTTGJHCP-GHMZBOCLSA-N 2 1 216.344 2.184 20 0 BEADMP COC(C)(C)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172103575 974368954 /nfs/dbraw/zinc/36/89/54/974368954.db2.gz VYPNVELKWGTELW-XYYAHUGASA-N 2 1 240.391 2.016 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC2(C)C)C1 ZINC000309681679 971761992 /nfs/dbraw/zinc/76/19/92/971761992.db2.gz ZPYFOHOAOZKXCT-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP COc1cccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC000310990096 971990597 /nfs/dbraw/zinc/99/05/97/971990597.db2.gz GMISDKWDFFTVEP-AWEZNQCLSA-N 2 1 248.370 2.256 20 0 BEADMP Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC001246107496 972173617 /nfs/dbraw/zinc/17/36/17/972173617.db2.gz BPVUJSCBXVVYDF-HZPDHXFCSA-N 2 1 244.382 2.194 20 0 BEADMP CC(C)=CCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246132246 972190729 /nfs/dbraw/zinc/19/07/29/972190729.db2.gz LHMWNPXTVVXLHO-CHWSQXEVSA-N 2 1 222.376 2.463 20 0 BEADMP CC(C)=CCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246132252 972191251 /nfs/dbraw/zinc/19/12/51/972191251.db2.gz LHMWNPXTVVXLHO-QWHCGFSZSA-N 2 1 222.376 2.463 20 0 BEADMP CCc1ccc(CC[NH2+][C@@H]2C[NH2+][C@@H](C)C2)cc1 ZINC001246157317 972199112 /nfs/dbraw/zinc/19/91/12/972199112.db2.gz GFWWTMLVJDTAQR-WFASDCNBSA-N 2 1 232.371 2.132 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2CC[C@H](C)[NH2+]C2)s1 ZINC001246167252 972201455 /nfs/dbraw/zinc/20/14/55/972201455.db2.gz FENRPLDPZHJPLA-JQWIXIFHSA-N 2 1 238.400 2.329 20 0 BEADMP Cc1cccnc1[C@H]([NH2+]C1CC[NH2+]CC1)C1CC1 ZINC001246231115 972236042 /nfs/dbraw/zinc/23/60/42/972236042.db2.gz CFSRPQVOYYROSY-OAHLLOKOSA-N 2 1 245.370 2.183 20 0 BEADMP CC1(C)C[C@@H](n2c[nH+]cc2C2CC[NH2+]CC2)CO1 ZINC000396613846 957062826 /nfs/dbraw/zinc/06/28/26/957062826.db2.gz AXOBGYNLTGWZRO-GFCCVEGCSA-N 2 1 249.358 2.090 20 0 BEADMP C[N@@H+]1CCC[C@@H](C[NH+]2CC(c3ccccc3)C2)C1 ZINC001208607491 957086291 /nfs/dbraw/zinc/08/62/91/957086291.db2.gz AFHZPWWYFBTNBQ-CQSZACIVSA-N 2 1 244.382 2.428 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CC(c3ccccc3)C2)C1 ZINC001208607491 957086304 /nfs/dbraw/zinc/08/63/04/957086304.db2.gz AFHZPWWYFBTNBQ-CQSZACIVSA-N 2 1 244.382 2.428 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@]3(CC3(F)F)C2)C1 ZINC001208608032 957092405 /nfs/dbraw/zinc/09/24/05/957092405.db2.gz FFWLNUVBWLTUMV-NEPJUHHUSA-N 2 1 244.329 2.059 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@]3(CC3(F)F)C2)C1 ZINC001208608032 957092419 /nfs/dbraw/zinc/09/24/19/957092419.db2.gz FFWLNUVBWLTUMV-NEPJUHHUSA-N 2 1 244.329 2.059 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@]3(CC3(F)F)C2)C1 ZINC001208608032 957092428 /nfs/dbraw/zinc/09/24/28/957092428.db2.gz FFWLNUVBWLTUMV-NEPJUHHUSA-N 2 1 244.329 2.059 20 0 BEADMP C[C@@H]1C[C@@H](C)C[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208612293 957097664 /nfs/dbraw/zinc/09/76/64/957097664.db2.gz MFVXODISJGBEEM-MCIONIFRSA-N 2 1 224.392 2.306 20 0 BEADMP c1cn2c([nH+]1)CC[N@H+](CCC1CCCC1)CC2 ZINC001208694273 957133112 /nfs/dbraw/zinc/13/31/12/957133112.db2.gz NEXZDBQMUSSBJJ-UHFFFAOYSA-N 2 1 233.359 2.322 20 0 BEADMP c1cn2c([nH+]1)CC[N@@H+](CCC1CCCC1)CC2 ZINC001208694273 957133127 /nfs/dbraw/zinc/13/31/27/957133127.db2.gz NEXZDBQMUSSBJJ-UHFFFAOYSA-N 2 1 233.359 2.322 20 0 BEADMP Cc1[nH+]c2ccccn2c1NC1=CC[N@H+](C)CC1 ZINC001208742808 957158209 /nfs/dbraw/zinc/15/82/09/957158209.db2.gz XYBQHGOLBJXLJU-UHFFFAOYSA-N 2 1 242.326 2.274 20 0 BEADMP Cc1[nH+]c2ccccn2c1NC1=CC[N@@H+](C)CC1 ZINC001208742808 957158213 /nfs/dbraw/zinc/15/82/13/957158213.db2.gz XYBQHGOLBJXLJU-UHFFFAOYSA-N 2 1 242.326 2.274 20 0 BEADMP CC(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001246274293 972253619 /nfs/dbraw/zinc/25/36/19/972253619.db2.gz YUBWEJPXUYFSSW-XHDPSFHLSA-N 2 1 246.354 2.119 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[NH2+][C@@H](C)CC2)c(C)c1 ZINC001210474311 957758997 /nfs/dbraw/zinc/75/89/97/957758997.db2.gz FORPMIKBYKPNMY-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP Cc1ccc(C[N@H+]2CC[NH2+][C@@H](C)CC2)c(C)c1 ZINC001210474311 957759002 /nfs/dbraw/zinc/75/90/02/957759002.db2.gz FORPMIKBYKPNMY-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000723122319 958162732 /nfs/dbraw/zinc/16/27/32/958162732.db2.gz OPFPFUQLTAPWHT-LPWJVIDDSA-N 2 1 210.365 2.092 20 0 BEADMP CC(C)CC[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000308505562 958394743 /nfs/dbraw/zinc/39/47/43/958394743.db2.gz IOCPZCMPTNVGAW-GFCCVEGCSA-N 2 1 200.370 2.351 20 0 BEADMP CC(C)CC[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000308505562 958394754 /nfs/dbraw/zinc/39/47/54/958394754.db2.gz IOCPZCMPTNVGAW-GFCCVEGCSA-N 2 1 200.370 2.351 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]CCc2ccc(F)cc2)C[NH2+]1 ZINC000399188608 958561307 /nfs/dbraw/zinc/56/13/07/958561307.db2.gz OZAWZMDYZLGUHN-FZMZJTMJSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]CCCC(F)(F)F)C[NH2+]1 ZINC000399221963 958570975 /nfs/dbraw/zinc/57/09/75/958570975.db2.gz CHOSZYXWAYYMHZ-DTWKUNHWSA-N 2 1 224.270 2.059 20 0 BEADMP C1CC2(CCCCC2)[N@H+]1[C@@H]1CCC[NH2+]C1 ZINC000707663841 958656703 /nfs/dbraw/zinc/65/67/03/958656703.db2.gz XWYVEYQQTVJFGR-GFCCVEGCSA-N 2 1 208.349 2.147 20 0 BEADMP CC[C@@H]1C[N@@H+](CCCCCC[NH3+])[C@H](CC)CO1 ZINC000403731892 958835294 /nfs/dbraw/zinc/83/52/94/958835294.db2.gz BABZVGRCCDWKKW-ZIAGYGMSSA-N 2 1 242.407 2.395 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@H+](C)CCc1ccccn1 ZINC001207274900 958843128 /nfs/dbraw/zinc/84/31/28/958843128.db2.gz HBYMFZLJGNJYIH-UHFFFAOYSA-N 2 1 249.402 2.144 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@@H+](C)CCc1ccccn1 ZINC001207274900 958843131 /nfs/dbraw/zinc/84/31/31/958843131.db2.gz HBYMFZLJGNJYIH-UHFFFAOYSA-N 2 1 249.402 2.144 20 0 BEADMP CC[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000693581719 958870088 /nfs/dbraw/zinc/87/00/88/958870088.db2.gz ZYVOLOHKHKHJGE-RWMBFGLXSA-N 2 1 210.365 2.236 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222141454 972389171 /nfs/dbraw/zinc/38/91/71/972389171.db2.gz MJDLCTPHQVJXFB-ZJIFWQFVSA-N 2 1 246.398 2.274 20 0 BEADMP C[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCc2ccccc21 ZINC000693618756 959006219 /nfs/dbraw/zinc/00/62/19/959006219.db2.gz ZCYFLKMHBQSRBB-KCQAQPDRSA-N 2 1 244.382 2.386 20 0 BEADMP C(C1CCC1)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222231150 972412881 /nfs/dbraw/zinc/41/28/81/972412881.db2.gz JZBUBCHFRFBDPS-CYBMUJFWSA-N 2 1 208.349 2.005 20 0 BEADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000300993772 959486051 /nfs/dbraw/zinc/48/60/51/959486051.db2.gz WAEHFIHHWDFJQL-OLZOCXBDSA-N 2 1 212.381 2.339 20 0 BEADMP Cc1sccc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708865058 959985663 /nfs/dbraw/zinc/98/56/63/959985663.db2.gz ZFCSALDAEPGTSM-JOYOIKCWSA-N 2 1 224.373 2.083 20 0 BEADMP CCCCC(CCCC)[N@H+]1C[C@H](N)C[C@H](O)C1 ZINC001246537073 972474080 /nfs/dbraw/zinc/47/40/80/972474080.db2.gz AYQSKEREGIMGIM-OCCSQVGLSA-N 2 1 242.407 2.129 20 0 BEADMP CCCCC(CCCC)[N@H+]1C[C@H]([NH3+])C[C@H](O)C1 ZINC001246537073 972474096 /nfs/dbraw/zinc/47/40/96/972474096.db2.gz AYQSKEREGIMGIM-OCCSQVGLSA-N 2 1 242.407 2.129 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000695761930 960431774 /nfs/dbraw/zinc/43/17/74/960431774.db2.gz KHKHOFVVRZPMFG-ZDUSSCGKSA-N 2 1 222.376 2.380 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000695765039 960445319 /nfs/dbraw/zinc/44/53/19/960445319.db2.gz SYBUBAHRFYQUDQ-CYBMUJFWSA-N 2 1 222.376 2.393 20 0 BEADMP C/C(=C\C=C\N)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC001167753379 960544624 /nfs/dbraw/zinc/54/46/24/960544624.db2.gz OBCNBPHBNSLTHF-CVUZOVOKSA-N 2 1 237.391 2.217 20 0 BEADMP c1[nH]c2cc[nH+]cc2c1C[NH+]1CC2CC(C2)C1 ZINC001140806137 960603759 /nfs/dbraw/zinc/60/37/59/960603759.db2.gz WQXXAPZITRNVHD-UHFFFAOYSA-N 2 1 227.311 2.405 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2c2ccncc2)CC[NH2+]1 ZINC000709467544 960611147 /nfs/dbraw/zinc/61/11/47/960611147.db2.gz UMNAQUPEGQMUFW-BPLDGKMQSA-N 2 1 245.370 2.359 20 0 BEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1CCCC(C)(C)C1 ZINC000709525819 960633376 /nfs/dbraw/zinc/63/33/76/960633376.db2.gz RTKRSYRGDVFZRW-NEPJUHHUSA-N 2 1 212.381 2.482 20 0 BEADMP CC[NH+]1C[C@@H]2C[NH+](Cc3[nH]cc(C)c3C)C[C@H]2C1 ZINC001140863688 960649065 /nfs/dbraw/zinc/64/90/65/960649065.db2.gz ATEUBWNLQZTLJK-ZIAGYGMSSA-N 2 1 247.386 2.015 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000125535824 960835256 /nfs/dbraw/zinc/83/52/56/960835256.db2.gz DENFXVDDTNQMRG-CQSZACIVSA-N 2 1 232.371 2.474 20 0 BEADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C[C@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001207631588 961403313 /nfs/dbraw/zinc/40/33/13/961403313.db2.gz JNEWPUYQDCNBRE-UYJHQMFVSA-N 2 1 246.398 2.082 20 0 BEADMP [NH3+]CC[N@H+](Cc1ccccc1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167893175 961506945 /nfs/dbraw/zinc/50/69/45/961506945.db2.gz DXJJOVGYVBNUKD-FICVDOATSA-N 2 1 230.355 2.246 20 0 BEADMP [NH3+]CC[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167893175 961506970 /nfs/dbraw/zinc/50/69/70/961506970.db2.gz DXJJOVGYVBNUKD-FICVDOATSA-N 2 1 230.355 2.246 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167902057 961651067 /nfs/dbraw/zinc/65/10/67/961651067.db2.gz ATVBRFHSAJJNHI-WATWQVSESA-N 2 1 234.387 2.390 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167902057 961651075 /nfs/dbraw/zinc/65/10/75/961651075.db2.gz ATVBRFHSAJJNHI-WATWQVSESA-N 2 1 234.387 2.390 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000692926523 961746337 /nfs/dbraw/zinc/74/63/37/961746337.db2.gz KDUNELPTMCLDPN-SNPRPXQTSA-N 2 1 236.403 2.354 20 0 BEADMP C[N@H+](C/C=C/Cl)CCCCCC[NH3+] ZINC000710683723 961773395 /nfs/dbraw/zinc/77/33/95/961773395.db2.gz KNKHCCVDTOFZBA-VOTSOKGWSA-N 2 1 204.745 2.190 20 0 BEADMP Cc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc(C)n1 ZINC001206632864 962150204 /nfs/dbraw/zinc/15/02/04/962150204.db2.gz PJJSYOFMUBBCGL-AWEZNQCLSA-N 2 1 247.386 2.259 20 0 BEADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167941352 962193620 /nfs/dbraw/zinc/19/36/20/962193620.db2.gz XCQZPXFABNMXHQ-WDNDVIMCSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000710384748 962376805 /nfs/dbraw/zinc/37/68/05/962376805.db2.gz MZFQKCYTDGAPSI-OLZOCXBDSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1cc[nH+]c(NC[C@]2(F)CCCC[NH2+]C2)c1 ZINC001155114899 962979194 /nfs/dbraw/zinc/97/91/94/962979194.db2.gz HEHYWBDKRBHUJH-ZDUSSCGKSA-N 2 1 237.322 2.284 20 0 BEADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCC1)C2 ZINC001167981728 963066777 /nfs/dbraw/zinc/06/67/77/963066777.db2.gz GYAYPJVTDPFLQU-PBWFPOADSA-N 2 1 220.360 2.098 20 0 BEADMP C(C[NH2+]C1CC1)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000688239841 963094430 /nfs/dbraw/zinc/09/44/30/963094430.db2.gz NAGZOXYOLVFRDH-AWEZNQCLSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)CC[C@H]1C[NH3+] ZINC000302389071 963365745 /nfs/dbraw/zinc/36/57/45/963365745.db2.gz IZSJTNIPULOJFQ-UTUOFQBUSA-N 2 1 246.345 2.339 20 0 BEADMP C[C@]1([NH3+])CC[N@H+](CCCc2cccc(F)c2)C1 ZINC001204764369 963378162 /nfs/dbraw/zinc/37/81/62/963378162.db2.gz XZHBOVMOPHEIOS-AWEZNQCLSA-N 2 1 236.334 2.181 20 0 BEADMP C[C@]1([NH3+])CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC001204764369 963378169 /nfs/dbraw/zinc/37/81/69/963378169.db2.gz XZHBOVMOPHEIOS-AWEZNQCLSA-N 2 1 236.334 2.181 20 0 BEADMP CC(C)C[N@@H+](C[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000697052635 963680681 /nfs/dbraw/zinc/68/06/81/963680681.db2.gz OCJMCKIKYNXZJV-CYBMUJFWSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)[C@H](C)Cc1ccncc1 ZINC001256747088 1169837934 /nfs/dbraw/zinc/83/79/34/1169837934.db2.gz CLJNPUWJPHQDEK-CQSZACIVSA-N 2 1 249.402 2.286 20 0 BEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H](F)C2)CC1 ZINC001168323441 964447384 /nfs/dbraw/zinc/44/73/84/964447384.db2.gz ZLKRKGWWZFDZFF-HIFPTAJRSA-N 2 1 228.355 2.293 20 0 BEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001168329511 964458597 /nfs/dbraw/zinc/45/85/97/964458597.db2.gz WDOKBRLIPLZOIP-RYSNWHEDSA-N 2 1 222.376 2.344 20 0 BEADMP COc1cc(NC/C=C/C[NH3+])[nH+]c2ccccc21 ZINC001160982941 964471307 /nfs/dbraw/zinc/47/13/07/964471307.db2.gz MMOHLVXKYWHKDS-SNAWJCMRSA-N 2 1 243.310 2.170 20 0 BEADMP [NH3+][C@@H]1CCC[C@H](Nc2cc3[nH+]c[nH]c3cc2F)C1 ZINC001162404029 964963329 /nfs/dbraw/zinc/96/33/29/964963329.db2.gz IIYAFTYTISIICC-BDAKNGLRSA-N 2 1 248.305 2.384 20 0 BEADMP CNc1ccc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)c[nH+]1 ZINC001162457679 964983993 /nfs/dbraw/zinc/98/39/93/964983993.db2.gz QMVJHVXMLSIFDV-RYUDHWBXSA-N 2 1 248.374 2.171 20 0 BEADMP Cc1cc(NC[C@@H]2CCC[NH2+]C[C@H]2C)nc(C)[nH+]1 ZINC001162454367 964985871 /nfs/dbraw/zinc/98/58/71/964985871.db2.gz OCTJQLNAONHOAQ-MFKMUULPSA-N 2 1 248.374 2.141 20 0 BEADMP Cc1ccc[nH+]c1NC[C@]1(F)CCCC[NH2+]C1 ZINC001162574253 965051365 /nfs/dbraw/zinc/05/13/65/965051365.db2.gz XAVQNQDUSFYMNL-ZDUSSCGKSA-N 2 1 237.322 2.284 20 0 BEADMP CCc1ccc[nH+]c1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163261438 965319997 /nfs/dbraw/zinc/31/99/97/965319997.db2.gz WLRVJPLKPYXYKW-AGIUHOORSA-N 2 1 231.343 2.054 20 0 BEADMP CC(C)[N@@H+]1CC[C@@H](Nc2[nH+]cccc2N)[C@@H](C)C1 ZINC001163361152 965363668 /nfs/dbraw/zinc/36/36/68/965363668.db2.gz HTRSBQWLLPMJPQ-WCQYABFASA-N 2 1 248.374 2.195 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](Nc2[nH+]cccc2N)[C@@H](C)C1 ZINC001163361152 965363673 /nfs/dbraw/zinc/36/36/73/965363673.db2.gz HTRSBQWLLPMJPQ-WCQYABFASA-N 2 1 248.374 2.195 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](Nc2cccc(N)[nH+]2)[C@H](C)C1 ZINC001163365413 965370007 /nfs/dbraw/zinc/37/00/07/965370007.db2.gz ZVKAJMURYHKZIO-VXGBXAGGSA-N 2 1 248.374 2.195 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)CC1 ZINC001205094387 965726260 /nfs/dbraw/zinc/72/62/60/965726260.db2.gz LUIIOHHAFZIZFN-CQSZACIVSA-N 2 1 243.354 2.481 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)CC1 ZINC001205094729 965729616 /nfs/dbraw/zinc/72/96/16/965729616.db2.gz OTRFWOZKQWFRKW-CQSZACIVSA-N 2 1 243.354 2.481 20 0 BEADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205094681 965729703 /nfs/dbraw/zinc/72/97/03/965729703.db2.gz OACZNZFMLLKBKB-CQSZACIVSA-N 2 1 248.370 2.399 20 0 BEADMP CN(C)c1ccccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205094904 965735593 /nfs/dbraw/zinc/73/55/93/965735593.db2.gz RIVYKWBAJZCEBF-CQSZACIVSA-N 2 1 247.386 2.066 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)CC1 ZINC001205095197 965739419 /nfs/dbraw/zinc/73/94/19/965739419.db2.gz VEQCZXYVYLYTKO-CYBMUJFWSA-N 2 1 243.354 2.481 20 0 BEADMP CC1(C)[C@@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]21 ZINC000699206906 965816970 /nfs/dbraw/zinc/81/69/70/965816970.db2.gz PEOLZNFPVDKRPV-LTQVTBIESA-N 2 1 234.387 2.105 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699206719 965817352 /nfs/dbraw/zinc/81/73/52/965817352.db2.gz YXJAWKQNMIICLW-AXOHJZAGSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H](C[NH+](C)C)Oc1cccc2c1CC[N@@H+](C)C2 ZINC001234421307 965819863 /nfs/dbraw/zinc/81/98/63/965819863.db2.gz CUVFTODSBRFXCY-LBPRGKRZSA-N 2 1 248.370 2.003 20 0 BEADMP [NH3+][C@H]1CCC[N@H+](Cc2cncc(C3CC3)c2)CC1 ZINC001205123592 965884205 /nfs/dbraw/zinc/88/42/05/965884205.db2.gz CANUDWKYRIXZQV-HNNXBMFYSA-N 2 1 245.370 2.272 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+](Cc2cncc(C3CC3)c2)CC1 ZINC001205123592 965884213 /nfs/dbraw/zinc/88/42/13/965884213.db2.gz CANUDWKYRIXZQV-HNNXBMFYSA-N 2 1 245.370 2.272 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001235039606 965991838 /nfs/dbraw/zinc/99/18/38/965991838.db2.gz VWBYIUXOKAPWBI-ZQDZILKHSA-N 2 1 234.387 2.415 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001235039606 965991850 /nfs/dbraw/zinc/99/18/50/965991850.db2.gz VWBYIUXOKAPWBI-ZQDZILKHSA-N 2 1 234.387 2.415 20 0 BEADMP C[N@H+]1CCC[C@H](CCNc2ccccn2)C1 ZINC001165253037 966006980 /nfs/dbraw/zinc/00/69/80/966006980.db2.gz LKCNUIIRAQDBIE-GFCCVEGCSA-N 2 1 219.332 2.225 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235124266 966008687 /nfs/dbraw/zinc/00/86/87/966008687.db2.gz LIFMWFYSFIMCAN-ZJIFWQFVSA-N 2 1 246.398 2.417 20 0 BEADMP CCc1cccc(C)c1C[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235991750 966210693 /nfs/dbraw/zinc/21/06/93/966210693.db2.gz OWFOHASOVAEHCT-ZBFHGGJFSA-N 2 1 244.382 2.481 20 0 BEADMP CCc1cccc(C)c1C[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235991750 966210712 /nfs/dbraw/zinc/21/07/12/966210712.db2.gz OWFOHASOVAEHCT-ZBFHGGJFSA-N 2 1 244.382 2.481 20 0 BEADMP Cc1ccc(C)c(C[NH+]2CC(C)(C[NH3+])C2)c1 ZINC001206712127 966258075 /nfs/dbraw/zinc/25/80/75/966258075.db2.gz RVCMXYHQSAMVFO-UHFFFAOYSA-N 2 1 218.344 2.084 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001236167794 966279088 /nfs/dbraw/zinc/27/90/88/966279088.db2.gz GDFLUISZPKARDL-RWMBFGLXSA-N 2 1 208.349 2.012 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001236167794 966279098 /nfs/dbraw/zinc/27/90/98/966279098.db2.gz GDFLUISZPKARDL-RWMBFGLXSA-N 2 1 208.349 2.012 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001236167796 966280048 /nfs/dbraw/zinc/28/00/48/966280048.db2.gz GDFLUISZPKARDL-XQQFMLRXSA-N 2 1 208.349 2.012 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001236167796 966280064 /nfs/dbraw/zinc/28/00/64/966280064.db2.gz GDFLUISZPKARDL-XQQFMLRXSA-N 2 1 208.349 2.012 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)oc1C ZINC001237384950 966655920 /nfs/dbraw/zinc/65/59/20/966655920.db2.gz ZBTGQUGAACOKOG-ZFWWWQNUSA-N 2 1 248.370 2.470 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)oc1C ZINC001237384950 966655940 /nfs/dbraw/zinc/65/59/40/966655940.db2.gz ZBTGQUGAACOKOG-ZFWWWQNUSA-N 2 1 248.370 2.470 20 0 BEADMP C[C@@H]1CCCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000705575806 966737102 /nfs/dbraw/zinc/73/71/02/966737102.db2.gz DXSJJZKYPKTLQJ-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP CC(C)[C@@H]1CCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000084125902 966926726 /nfs/dbraw/zinc/92/67/26/966926726.db2.gz AZBWSRWDWJGJMH-LBPRGKRZSA-N 2 1 212.381 2.495 20 0 BEADMP Cc1ncccc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715569313 967183333 /nfs/dbraw/zinc/18/33/33/967183333.db2.gz AMPQIUCUJQJIKI-HUUCEWRRSA-N 2 1 247.386 2.352 20 0 BEADMP Cc1ncccc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715569315 967185284 /nfs/dbraw/zinc/18/52/84/967185284.db2.gz AMPQIUCUJQJIKI-LSDHHAIUSA-N 2 1 247.386 2.352 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc3cc[nH]c32)CC1 ZINC001205109298 967351091 /nfs/dbraw/zinc/35/10/91/967351091.db2.gz DPYPWTDLOONJDJ-CQSZACIVSA-N 2 1 243.354 2.481 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)ccc1O ZINC001205110121 967358828 /nfs/dbraw/zinc/35/88/28/967358828.db2.gz PCXJUKMCFHACDD-CYBMUJFWSA-N 2 1 234.343 2.014 20 0 BEADMP C[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)c[nH]2)C[C@H]1C[NH3+] ZINC001205155992 967401066 /nfs/dbraw/zinc/40/10/66/967401066.db2.gz LAHAHCQWYQPNPP-NWDGAFQWSA-N 2 1 249.402 2.339 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CC1CCC(F)(F)CC1 ZINC001205171439 967409478 /nfs/dbraw/zinc/40/94/78/967409478.db2.gz QOWWQXZQAPZHTH-MWLCHTKSSA-N 2 1 232.318 2.233 20 0 BEADMP COc1ccccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205256074 967445700 /nfs/dbraw/zinc/44/57/00/967445700.db2.gz MOAJTPZBEAMOQI-HNNXBMFYSA-N 2 1 248.370 2.399 20 0 BEADMP Cc1cnc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(C)c1 ZINC001205296170 967494067 /nfs/dbraw/zinc/49/40/67/967494067.db2.gz IICICOQJSIQKLF-HNNXBMFYSA-N 2 1 247.386 2.402 20 0 BEADMP CS[C@H](C)CC[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205546028 967687858 /nfs/dbraw/zinc/68/78/58/967687858.db2.gz PDGGCIWHBLMORE-VXGBXAGGSA-N 2 1 248.411 2.281 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)o1 ZINC001205546469 967692491 /nfs/dbraw/zinc/69/24/91/967692491.db2.gz VYBIBZLSELWPPF-CYBMUJFWSA-N 2 1 240.322 2.241 20 0 BEADMP C[C@H]1CC[N@@H+](Cc2ccccc2)CC[C@H]1C[NH3+] ZINC001205603628 967719873 /nfs/dbraw/zinc/71/98/73/967719873.db2.gz RHXGYYZFKVABAN-ZFWWWQNUSA-N 2 1 232.371 2.493 20 0 BEADMP C[C@H]1CC[N@@H+](CCC(F)(F)F)CC[C@H]1C[NH3+] ZINC001205601787 967721595 /nfs/dbraw/zinc/72/15/95/967721595.db2.gz GKLZGIBPLFDCLZ-UWVGGRQHSA-N 2 1 238.297 2.246 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)nc1 ZINC001205626750 967735694 /nfs/dbraw/zinc/73/56/94/967735694.db2.gz IVWSSYLWYITVOC-KGLIPLIRSA-N 2 1 247.386 2.197 20 0 BEADMP C[N@H+]1CCC[C@@](C)(Nc2[nH+]ccc3[nH]ccc32)C1 ZINC001162330196 967808396 /nfs/dbraw/zinc/80/83/96/967808396.db2.gz BAYDZBHDCNXGPX-CQSZACIVSA-N 2 1 244.342 2.459 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccccc2)C1 ZINC001205803531 967831019 /nfs/dbraw/zinc/83/10/19/967831019.db2.gz HNOGRMZPJKRJBW-JSGCOSHPSA-N 2 1 218.344 2.246 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccc2)C1 ZINC001205803531 967831022 /nfs/dbraw/zinc/83/10/22/967831022.db2.gz HNOGRMZPJKRJBW-JSGCOSHPSA-N 2 1 218.344 2.246 20 0 BEADMP CNc1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2CN)cc1 ZINC001205851773 967853695 /nfs/dbraw/zinc/85/36/95/967853695.db2.gz BNPANYSTZGSGTI-IUODEOHRSA-N 2 1 247.386 2.288 20 0 BEADMP CNc1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2CN)cc1 ZINC001205851773 967853706 /nfs/dbraw/zinc/85/37/06/967853706.db2.gz BNPANYSTZGSGTI-IUODEOHRSA-N 2 1 247.386 2.288 20 0 BEADMP CNc1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205851773 967853715 /nfs/dbraw/zinc/85/37/15/967853715.db2.gz BNPANYSTZGSGTI-IUODEOHRSA-N 2 1 247.386 2.288 20 0 BEADMP CNc1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205851773 967853717 /nfs/dbraw/zinc/85/37/17/967853717.db2.gz BNPANYSTZGSGTI-IUODEOHRSA-N 2 1 247.386 2.288 20 0 BEADMP [NH3+]CC12CC(C1)C[N@H+]2C[C@@H]1CC2CCC1CC2 ZINC000694602264 967898116 /nfs/dbraw/zinc/89/81/16/967898116.db2.gz BUHWRFDWJXARFS-IHXHZNKUSA-N 2 1 234.387 2.236 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC001205983922 967929896 /nfs/dbraw/zinc/92/98/96/967929896.db2.gz QGKOCEMIQVKVJL-YPMHNXCESA-N 2 1 236.359 2.395 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)o1 ZINC001205983921 967932205 /nfs/dbraw/zinc/93/22/05/967932205.db2.gz QGKOCEMIQVKVJL-WCQYABFASA-N 2 1 236.359 2.395 20 0 BEADMP C[C@@H]1C[N@@H+](CCC2CC2)CCC[C@@H]1C[NH3+] ZINC001205984709 967933251 /nfs/dbraw/zinc/93/32/51/967933251.db2.gz UKSSZRWVMOJZEA-DGCLKSJQSA-N 2 1 210.365 2.093 20 0 BEADMP CCOC(C)(C)C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205982590 967933667 /nfs/dbraw/zinc/93/36/67/967933667.db2.gz MMAPRRONMHICOK-CHWSQXEVSA-N 2 1 242.407 2.108 20 0 BEADMP Cc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC001205992544 967944543 /nfs/dbraw/zinc/94/45/43/967944543.db2.gz FFFFWJSCFQMICT-TZMCWYRMSA-N 2 1 247.386 2.197 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccc(O)cc2)CCC[C@@H]1C[NH3+] ZINC001205996135 967952809 /nfs/dbraw/zinc/95/28/09/967952809.db2.gz VAGORDGSOJGFMQ-GXTWGEPZSA-N 2 1 248.370 2.199 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccc(O)cc2)CCC[C@@H]1C[NH3+] ZINC001205996138 967953488 /nfs/dbraw/zinc/95/34/88/967953488.db2.gz VAGORDGSOJGFMQ-TZMCWYRMSA-N 2 1 248.370 2.199 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206294007 968202453 /nfs/dbraw/zinc/20/24/53/968202453.db2.gz ILAFNCJFWUWUAQ-QWHCGFSZSA-N 2 1 212.381 2.483 20 0 BEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc(O)c2)CC1 ZINC001206296069 968202038 /nfs/dbraw/zinc/20/20/38/968202038.db2.gz PEBBCXXCYARIPD-HNNXBMFYSA-N 2 1 248.370 2.343 20 0 BEADMP CC[C@@H](C)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206294004 968203701 /nfs/dbraw/zinc/20/37/01/968203701.db2.gz ILAFNCJFWUWUAQ-OLZOCXBDSA-N 2 1 212.381 2.483 20 0 BEADMP [NH3+]C[C@]1(F)CCCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC001206335529 968238655 /nfs/dbraw/zinc/23/86/55/968238655.db2.gz FVYGHRJTNMXQEF-ZIAGYGMSSA-N 2 1 240.366 2.496 20 0 BEADMP [NH3+]C[C@]1(F)CCCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC001206335529 968238664 /nfs/dbraw/zinc/23/86/64/968238664.db2.gz FVYGHRJTNMXQEF-ZIAGYGMSSA-N 2 1 240.366 2.496 20 0 BEADMP [NH3+]C[C@@]1(F)CCCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC001206335521 968239364 /nfs/dbraw/zinc/23/93/64/968239364.db2.gz FVYGHRJTNMXQEF-KBPBESRZSA-N 2 1 240.366 2.496 20 0 BEADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC001206335521 968239368 /nfs/dbraw/zinc/23/93/68/968239368.db2.gz FVYGHRJTNMXQEF-KBPBESRZSA-N 2 1 240.366 2.496 20 0 BEADMP CC[C@@H](C)C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206336892 968242630 /nfs/dbraw/zinc/24/26/30/968242630.db2.gz OUBWOZCRSBBPLP-NEPJUHHUSA-N 2 1 216.344 2.185 20 0 BEADMP CC[C@@H](C)C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206336892 968242643 /nfs/dbraw/zinc/24/26/43/968242643.db2.gz OUBWOZCRSBBPLP-NEPJUHHUSA-N 2 1 216.344 2.185 20 0 BEADMP COc1cc(C)c(C[NH+]2CC(C)(C[NH3+])C2)c(C)c1 ZINC001206722891 968439335 /nfs/dbraw/zinc/43/93/35/968439335.db2.gz ICIDCIRNUGKMGG-UHFFFAOYSA-N 2 1 248.370 2.093 20 0 BEADMP Cc1ccc2c(C[NH+]3CC(C)(C[NH3+])C3)c[nH]c2c1 ZINC001206718645 968439767 /nfs/dbraw/zinc/43/97/67/968439767.db2.gz XHTFEAPVYFDRNB-UHFFFAOYSA-N 2 1 243.354 2.257 20 0 BEADMP Cc1c[nH+]ccc1Nc1c[nH+]c(N(C)C)cc1C ZINC001206714287 968440561 /nfs/dbraw/zinc/44/05/61/968440561.db2.gz GKZWOGMHUICUEG-UHFFFAOYSA-N 2 1 242.326 2.325 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@@H+](C)C(C)(C)C ZINC001207281405 968713713 /nfs/dbraw/zinc/71/37/13/968713713.db2.gz BWBCSIATMXCQRV-UHFFFAOYSA-N 2 1 200.370 2.305 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H](CF)C1 ZINC001207286918 968715501 /nfs/dbraw/zinc/71/55/01/968715501.db2.gz WJDRBTJZKBCBES-GFCCVEGCSA-N 2 1 230.371 2.256 20 0 BEADMP Cc1cc2c(cn1)C[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001207398611 968752857 /nfs/dbraw/zinc/75/28/57/968752857.db2.gz CNSMMVHQILTYKD-UHFFFAOYSA-N 2 1 245.370 2.047 20 0 BEADMP Cc1cc2c(cn1)C[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001207398611 968752864 /nfs/dbraw/zinc/75/28/64/968752864.db2.gz CNSMMVHQILTYKD-UHFFFAOYSA-N 2 1 245.370 2.047 20 0 BEADMP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCC[C@@H]1C ZINC001207437014 968770972 /nfs/dbraw/zinc/77/09/72/968770972.db2.gz ZNZVGPDXXGLBPT-STQMWFEESA-N 2 1 224.392 2.354 20 0 BEADMP C[N@@H+](CCC[NH3+])CC1CCC2(CC2)CC1 ZINC000829155634 968826411 /nfs/dbraw/zinc/82/64/11/968826411.db2.gz HSCPMURLBBTWSJ-UHFFFAOYSA-N 2 1 210.365 2.237 20 0 BEADMP CCCc1cc(N[C@H]2CCC[C@H]([NH3+])C2)nc(C)[nH+]1 ZINC001154986014 968841059 /nfs/dbraw/zinc/84/10/59/968841059.db2.gz QEVSHZMDBASBEO-AAEUAGOBSA-N 2 1 248.374 2.419 20 0 BEADMP C[N@@H+]1CC=C(c2c[nH+]cc3cc[nH]c32)CC1 ZINC001241322794 968974407 /nfs/dbraw/zinc/97/44/07/968974407.db2.gz SPQKJAAUGAHCMN-UHFFFAOYSA-N 2 1 213.284 2.282 20 0 BEADMP C[N@@H+](CCC1CC1)CC1(C)CC[NH+](C)CC1 ZINC001208109544 969005680 /nfs/dbraw/zinc/00/56/80/969005680.db2.gz OFUNVOISKXHTGJ-UHFFFAOYSA-N 2 1 224.392 2.450 20 0 BEADMP C[N@H+]1CCC=C(c2ccc(C3([NH3+])CC3)cc2)C1 ZINC001241570643 969058354 /nfs/dbraw/zinc/05/83/54/969058354.db2.gz MXSQTFDPJYRTJL-UHFFFAOYSA-N 2 1 228.339 2.353 20 0 BEADMP CCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)[C@H](C)CC ZINC001253384921 969148407 /nfs/dbraw/zinc/14/84/07/969148407.db2.gz MTUAOUHVOGSHJG-CHWSQXEVSA-N 2 1 244.423 2.246 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001208592890 969148396 /nfs/dbraw/zinc/14/83/96/969148396.db2.gz LWUNOXNJKQDWSO-GFCCVEGCSA-N 2 1 210.365 2.060 20 0 BEADMP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001208598618 969151467 /nfs/dbraw/zinc/15/14/67/969151467.db2.gz VAPYQTOSIUHRFP-OKILXGFUSA-N 2 1 236.403 2.306 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](CF)C2)CC1 ZINC001208597984 969152396 /nfs/dbraw/zinc/15/23/96/969152396.db2.gz ORVWBQWFEVEDCU-AWEZNQCLSA-N 2 1 242.382 2.400 20 0 BEADMP Cc1ccc(OCC[N@H+](C)C2CC[NH2+]CC2)cc1 ZINC000036300528 969154052 /nfs/dbraw/zinc/15/40/52/969154052.db2.gz RAOFSRMGYXVSSQ-UHFFFAOYSA-N 2 1 248.370 2.058 20 0 BEADMP C[C@H]1CCC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208604157 969156695 /nfs/dbraw/zinc/15/66/95/969156695.db2.gz LRJJKCUKDQCIGZ-STQMWFEESA-N 2 1 210.365 2.060 20 0 BEADMP C[C@H]1CCC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208604157 969156701 /nfs/dbraw/zinc/15/67/01/969156701.db2.gz LRJJKCUKDQCIGZ-STQMWFEESA-N 2 1 210.365 2.060 20 0 BEADMP C[C@H]1CCC[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208604157 969156704 /nfs/dbraw/zinc/15/67/04/969156704.db2.gz LRJJKCUKDQCIGZ-STQMWFEESA-N 2 1 210.365 2.060 20 0 BEADMP CC[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208609589 969170834 /nfs/dbraw/zinc/17/08/34/969170834.db2.gz UXLGVDQAVFHIOF-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208609589 969170839 /nfs/dbraw/zinc/17/08/39/969170839.db2.gz UXLGVDQAVFHIOF-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@H]1CCC[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC001208609589 969170845 /nfs/dbraw/zinc/17/08/45/969170845.db2.gz UXLGVDQAVFHIOF-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@H]1CCC[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208609589 969170849 /nfs/dbraw/zinc/17/08/49/969170849.db2.gz UXLGVDQAVFHIOF-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP C(CN1CC2(C1)CC[N@@H+](CC1CC1)C2)C1CC1 ZINC001208680895 969191656 /nfs/dbraw/zinc/19/16/56/969191656.db2.gz JBBPUEIFMNQBDJ-UHFFFAOYSA-N 2 1 234.387 2.204 20 0 BEADMP C(C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2)C1CC1 ZINC001208680895 969191662 /nfs/dbraw/zinc/19/16/62/969191662.db2.gz JBBPUEIFMNQBDJ-UHFFFAOYSA-N 2 1 234.387 2.204 20 0 BEADMP C(C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2)C1CC1 ZINC001208680895 969191668 /nfs/dbraw/zinc/19/16/68/969191668.db2.gz JBBPUEIFMNQBDJ-UHFFFAOYSA-N 2 1 234.387 2.204 20 0 BEADMP Cc1cnccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205995733 969263836 /nfs/dbraw/zinc/26/38/36/969263836.db2.gz PSICHOYFJPVYRV-UONOGXRCSA-N 2 1 247.386 2.197 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H](O)C(C)(C)C ZINC001253731964 969351804 /nfs/dbraw/zinc/35/18/04/969351804.db2.gz ZNXKXPCDBUPNNZ-CYBMUJFWSA-N 2 1 244.423 2.057 20 0 BEADMP CCCC[N@@H+](C)CCC[NH2+]C[C@@H](O)C(C)(C)C ZINC001253740861 969358949 /nfs/dbraw/zinc/35/89/49/969358949.db2.gz LLVHNTXXFKQNJT-CYBMUJFWSA-N 2 1 244.423 2.105 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(O)c1)C2 ZINC001169095688 969384989 /nfs/dbraw/zinc/38/49/89/969384989.db2.gz QZKCQTQVMXTOTC-ZSOGYDGISA-N 2 1 246.354 2.107 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(O)c1)C2 ZINC001169095688 969384994 /nfs/dbraw/zinc/38/49/94/969384994.db2.gz QZKCQTQVMXTOTC-ZSOGYDGISA-N 2 1 246.354 2.107 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC001169096778 969391017 /nfs/dbraw/zinc/39/10/17/969391017.db2.gz YFZPXEUPWVWNDO-QKDCVEJESA-N 2 1 245.370 2.105 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC001169096778 969391024 /nfs/dbraw/zinc/39/10/24/969391024.db2.gz YFZPXEUPWVWNDO-QKDCVEJESA-N 2 1 245.370 2.105 20 0 BEADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC001169082474 969402938 /nfs/dbraw/zinc/40/29/38/969402938.db2.gz ZSEGKKPMXQEOKZ-MHEUCROKSA-N 2 1 245.370 2.357 20 0 BEADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC001169082474 969402941 /nfs/dbraw/zinc/40/29/41/969402941.db2.gz ZSEGKKPMXQEOKZ-MHEUCROKSA-N 2 1 245.370 2.357 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccsc1)C2 ZINC001169082462 969403496 /nfs/dbraw/zinc/40/34/96/969403496.db2.gz ZQCWTDUNWNSGFL-CLLJXQQHSA-N 2 1 236.384 2.463 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccsc1)C2 ZINC001169082462 969403501 /nfs/dbraw/zinc/40/35/01/969403501.db2.gz ZQCWTDUNWNSGFL-CLLJXQQHSA-N 2 1 236.384 2.463 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCC(F)(F)C1)C2 ZINC001169081778 969404571 /nfs/dbraw/zinc/40/45/71/969404571.db2.gz WHIMNTJBEJATAL-YFKTTZPYSA-N 2 1 244.329 2.389 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC001169082472 969404964 /nfs/dbraw/zinc/40/49/64/969404964.db2.gz ZSEGKKPMXQEOKZ-CYUUQNCZSA-N 2 1 245.370 2.357 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC001169082472 969404969 /nfs/dbraw/zinc/40/49/69/969404969.db2.gz ZSEGKKPMXQEOKZ-CYUUQNCZSA-N 2 1 245.370 2.357 20 0 BEADMP Cc1cnccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169080973 969405556 /nfs/dbraw/zinc/40/55/56/969405556.db2.gz OGFNMMTTXFMGHN-QKDCVEJESA-N 2 1 245.370 2.105 20 0 BEADMP Cc1cnccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169080973 969405560 /nfs/dbraw/zinc/40/55/60/969405560.db2.gz OGFNMMTTXFMGHN-QKDCVEJESA-N 2 1 245.370 2.105 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C3CCC1CC3)C2 ZINC001169139969 969413500 /nfs/dbraw/zinc/41/35/00/969413500.db2.gz GUCFCGZIVKBCMD-MOIJGLSHSA-N 2 1 220.360 2.238 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C3CCC1CC3)C2 ZINC001169139969 969413502 /nfs/dbraw/zinc/41/35/02/969413502.db2.gz GUCFCGZIVKBCMD-MOIJGLSHSA-N 2 1 220.360 2.238 20 0 BEADMP CCCC[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123377 969419147 /nfs/dbraw/zinc/41/91/47/969419147.db2.gz KKASQUFGLFUGLX-CLLJXQQHSA-N 2 1 210.365 2.344 20 0 BEADMP CCCC[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169123377 969419151 /nfs/dbraw/zinc/41/91/51/969419151.db2.gz KKASQUFGLFUGLX-CLLJXQQHSA-N 2 1 210.365 2.344 20 0 BEADMP CCCC[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169123377 969419163 /nfs/dbraw/zinc/41/91/63/969419163.db2.gz KKASQUFGLFUGLX-CLLJXQQHSA-N 2 1 210.365 2.344 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCCC1)C2 ZINC001169123778 969419473 /nfs/dbraw/zinc/41/94/73/969419473.db2.gz MVSSXDKAQLWYQO-ITGUQSILSA-N 2 1 208.349 2.098 20 0 BEADMP C[C@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123348 969419498 /nfs/dbraw/zinc/41/94/98/969419498.db2.gz JSOKWXSKXYEIOD-RVMXOQNASA-N 2 1 208.349 2.096 20 0 BEADMP C[C@H]1CCC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123348 969419499 /nfs/dbraw/zinc/41/94/99/969419499.db2.gz JSOKWXSKXYEIOD-RVMXOQNASA-N 2 1 208.349 2.096 20 0 BEADMP C[C@H]1CCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169123348 969419504 /nfs/dbraw/zinc/41/95/04/969419504.db2.gz JSOKWXSKXYEIOD-RVMXOQNASA-N 2 1 208.349 2.096 20 0 BEADMP C[C@H]1CCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169123348 969419509 /nfs/dbraw/zinc/41/95/09/969419509.db2.gz JSOKWXSKXYEIOD-RVMXOQNASA-N 2 1 208.349 2.096 20 0 BEADMP C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169123422 969421047 /nfs/dbraw/zinc/42/10/47/969421047.db2.gz LGOKUHAUQIJXDM-YIYPIFLZSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169123422 969421053 /nfs/dbraw/zinc/42/10/53/969421053.db2.gz LGOKUHAUQIJXDM-YIYPIFLZSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169123422 969421058 /nfs/dbraw/zinc/42/10/58/969421058.db2.gz LGOKUHAUQIJXDM-YIYPIFLZSA-N 2 1 222.376 2.344 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@](C)(CF)C1)C2 ZINC001169126499 969433301 /nfs/dbraw/zinc/43/33/01/969433301.db2.gz VHCBWORKGPQETO-ZOBORPQBSA-N 2 1 240.366 2.293 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@](C)(CF)C1)C2 ZINC001169126499 969433306 /nfs/dbraw/zinc/43/33/06/969433306.db2.gz VHCBWORKGPQETO-ZOBORPQBSA-N 2 1 240.366 2.293 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@](C)(CF)C1)C2 ZINC001169126499 969433310 /nfs/dbraw/zinc/43/33/10/969433310.db2.gz VHCBWORKGPQETO-ZOBORPQBSA-N 2 1 240.366 2.293 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(CF)CC1)C2 ZINC001169139384 969445603 /nfs/dbraw/zinc/44/56/03/969445603.db2.gz BQETXVJOYSIGGV-WDNDVIMCSA-N 2 1 240.366 2.293 20 0 BEADMP C[NH+](C1CCCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169141067 969453083 /nfs/dbraw/zinc/45/30/83/969453083.db2.gz OOUBZNBUDVJIQU-BTTYYORXSA-N 2 1 222.376 2.486 20 0 BEADMP C[NH+](C1CCCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169141067 969453093 /nfs/dbraw/zinc/45/30/93/969453093.db2.gz OOUBZNBUDVJIQU-BTTYYORXSA-N 2 1 222.376 2.486 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001169148792 969464586 /nfs/dbraw/zinc/46/45/86/969464586.db2.gz ZYEKXHQZHWDBHH-IZHRXLMESA-N 2 1 234.387 2.199 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001169148792 969464593 /nfs/dbraw/zinc/46/45/93/969464593.db2.gz ZYEKXHQZHWDBHH-IZHRXLMESA-N 2 1 234.387 2.199 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001169148792 969464596 /nfs/dbraw/zinc/46/45/96/969464596.db2.gz ZYEKXHQZHWDBHH-IZHRXLMESA-N 2 1 234.387 2.199 20 0 BEADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C2(CC2)C1 ZINC001169156736 969469965 /nfs/dbraw/zinc/46/99/65/969469965.db2.gz ZUAXHPHTVAAKBY-FQUUOJAGSA-N 2 1 234.387 2.486 20 0 BEADMP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C2(CC2)C1 ZINC001169156736 969469972 /nfs/dbraw/zinc/46/99/72/969469972.db2.gz ZUAXHPHTVAAKBY-FQUUOJAGSA-N 2 1 234.387 2.486 20 0 BEADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2(CC2)C1 ZINC001169156736 969469977 /nfs/dbraw/zinc/46/99/77/969469977.db2.gz ZUAXHPHTVAAKBY-FQUUOJAGSA-N 2 1 234.387 2.486 20 0 BEADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2(CC2)C1 ZINC001169156736 969469984 /nfs/dbraw/zinc/46/99/84/969469984.db2.gz ZUAXHPHTVAAKBY-FQUUOJAGSA-N 2 1 234.387 2.486 20 0 BEADMP CC(C)[N@@H+](C[C@@H]1C[C@H]1C)C1CCN(C)CC1 ZINC001209427601 969499224 /nfs/dbraw/zinc/49/92/24/969499224.db2.gz POUKDTVIHKBEIZ-OLZOCXBDSA-N 2 1 224.392 2.447 20 0 BEADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccccc1 ZINC000925484612 969553561 /nfs/dbraw/zinc/55/35/61/969553561.db2.gz GQDWPTHYPALAJH-YDHLFZDLSA-N 2 1 248.370 2.091 20 0 BEADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001209728121 969582453 /nfs/dbraw/zinc/58/24/53/969582453.db2.gz CVFZKXAUAFURLY-VXGBXAGGSA-N 2 1 231.343 2.116 20 0 BEADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001209728121 969582462 /nfs/dbraw/zinc/58/24/62/969582462.db2.gz CVFZKXAUAFURLY-VXGBXAGGSA-N 2 1 231.343 2.116 20 0 BEADMP CC(C)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCCOC1 ZINC001254372166 969585909 /nfs/dbraw/zinc/58/59/09/969585909.db2.gz RBELWCUJZGMXPX-IHRRRGAJSA-N 2 1 240.391 2.146 20 0 BEADMP C[N@@H+](CCc1cccs1)Cc1cnccc1N ZINC001209735633 969600021 /nfs/dbraw/zinc/60/00/21/969600021.db2.gz ZDUCMWDRCZLOBP-UHFFFAOYSA-N 2 1 247.367 2.230 20 0 BEADMP C[N@H+](CCc1cccs1)Cc1c[nH+]ccc1N ZINC001209735633 969600026 /nfs/dbraw/zinc/60/00/26/969600026.db2.gz ZDUCMWDRCZLOBP-UHFFFAOYSA-N 2 1 247.367 2.230 20 0 BEADMP C[N@@H+](CCc1cccs1)Cc1c[nH+]ccc1N ZINC001209735633 969600032 /nfs/dbraw/zinc/60/00/32/969600032.db2.gz ZDUCMWDRCZLOBP-UHFFFAOYSA-N 2 1 247.367 2.230 20 0 BEADMP [NH3+]CC1([NH2+]C2CCc3ccccc3CC2)CC1 ZINC001254455768 969650524 /nfs/dbraw/zinc/65/05/24/969650524.db2.gz OPOMXGWRAQSYAN-UHFFFAOYSA-N 2 1 230.355 2.015 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+]CCc2cccc(O)c2)CC1 ZINC001254499328 969658732 /nfs/dbraw/zinc/65/87/32/969658732.db2.gz CSTFWHRAVDGQSD-CQSZACIVSA-N 2 1 248.370 2.009 20 0 BEADMP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3cccnc32)CC1 ZINC001254503637 969669553 /nfs/dbraw/zinc/66/95/53/969669553.db2.gz OAEOCDIWJGAWGL-KBPBESRZSA-N 2 1 245.370 2.143 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3cccnc32)CC1 ZINC001254503637 969669557 /nfs/dbraw/zinc/66/95/57/969669557.db2.gz OAEOCDIWJGAWGL-KBPBESRZSA-N 2 1 245.370 2.143 20 0 BEADMP C[N@@H+]1CCC[C@@H]([NH2+]C2(c3ccncc3)CC2)CC1 ZINC001254504811 969671086 /nfs/dbraw/zinc/67/10/86/969671086.db2.gz WNTRYTCUFBDALY-CQSZACIVSA-N 2 1 245.370 2.145 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+]C2(c3ccncc3)CC2)CC1 ZINC001254504811 969671091 /nfs/dbraw/zinc/67/10/91/969671091.db2.gz WNTRYTCUFBDALY-CQSZACIVSA-N 2 1 245.370 2.145 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+]CCCc2cccnc2)CC1 ZINC001254505182 969672623 /nfs/dbraw/zinc/67/26/23/969672623.db2.gz ZQHWNTVVCOQLHM-OAHLLOKOSA-N 2 1 247.386 2.088 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccc(N)cc1 ZINC001254506810 969674071 /nfs/dbraw/zinc/67/40/71/969674071.db2.gz ATXGNMISESYXHR-DOMZBBRYSA-N 2 1 247.386 2.404 20 0 BEADMP CC[N@@H+](Cc1ccncc1)[C@H]1CCC[NH+](C)CC1 ZINC001254516166 969687067 /nfs/dbraw/zinc/68/70/67/969687067.db2.gz JPIHVVOBUSPTBR-HNNXBMFYSA-N 2 1 247.386 2.388 20 0 BEADMP CC[NH+](Cc1ccncc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254516166 969687079 /nfs/dbraw/zinc/68/70/79/969687079.db2.gz JPIHVVOBUSPTBR-HNNXBMFYSA-N 2 1 247.386 2.388 20 0 BEADMP CC[NH+](Cc1ccncc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254516166 969687087 /nfs/dbraw/zinc/68/70/87/969687087.db2.gz JPIHVVOBUSPTBR-HNNXBMFYSA-N 2 1 247.386 2.388 20 0 BEADMP C[N@@H+]1CCC[C@@H]([NH+]2CCCC2(C)C)CC1 ZINC001254515846 969692570 /nfs/dbraw/zinc/69/25/70/969692570.db2.gz FAZKUMBMLMFKAQ-GFCCVEGCSA-N 2 1 210.365 2.345 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2CCCC2(C)C)CC1 ZINC001254515846 969692580 /nfs/dbraw/zinc/69/25/80/969692580.db2.gz FAZKUMBMLMFKAQ-GFCCVEGCSA-N 2 1 210.365 2.345 20 0 BEADMP C[NH+]1CCC[C@@H]([N@@H+]2CCCC2(C)C)CC1 ZINC001254515846 969692588 /nfs/dbraw/zinc/69/25/88/969692588.db2.gz FAZKUMBMLMFKAQ-GFCCVEGCSA-N 2 1 210.365 2.345 20 0 BEADMP C[NH+]1CCC[C@@H]([N@H+]2CCCC2(C)C)CC1 ZINC001254515846 969692595 /nfs/dbraw/zinc/69/25/95/969692595.db2.gz FAZKUMBMLMFKAQ-GFCCVEGCSA-N 2 1 210.365 2.345 20 0 BEADMP CCc1cccc(C[N@@H+]2CC[NH2+][C@@H](C)CC2)c1 ZINC001210499244 969909178 /nfs/dbraw/zinc/90/91/78/969909178.db2.gz TYWCVMGDEBHRLC-ZDUSSCGKSA-N 2 1 232.371 2.433 20 0 BEADMP CCc1cccc(C[N@H+]2CC[NH2+][C@@H](C)CC2)c1 ZINC001210499244 969909189 /nfs/dbraw/zinc/90/91/89/969909189.db2.gz TYWCVMGDEBHRLC-ZDUSSCGKSA-N 2 1 232.371 2.433 20 0 BEADMP C[N@@H+](CCCC[NH3+])Cc1nc2ccccc2s1 ZINC001210546573 969932736 /nfs/dbraw/zinc/93/27/36/969932736.db2.gz YGDSJRZQSPXXBI-UHFFFAOYSA-N 2 1 249.383 2.467 20 0 BEADMP CC[NH+](CC)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001255290230 970046693 /nfs/dbraw/zinc/04/66/93/970046693.db2.gz XKQIVPPMOFLIPF-ZDUSSCGKSA-N 2 1 242.432 2.298 20 0 BEADMP Cc1cn2cccc(Nc3cncn3C)c2n1 ZINC001211246064 970189354 /nfs/dbraw/zinc/18/93/54/970189354.db2.gz YNRRXDILZPAOBH-UHFFFAOYSA-N 2 1 227.271 2.120 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)C1CCC(OC)CC1 ZINC001255464093 970189445 /nfs/dbraw/zinc/18/94/45/970189445.db2.gz AIIJXWYRKHDZMP-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP Cn1cncc1Nc1nc2ccccc2n1C ZINC001211246137 970190818 /nfs/dbraw/zinc/19/08/18/970190818.db2.gz ZOTVODYIUVAWEW-UHFFFAOYSA-N 2 1 227.271 2.050 20 0 BEADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1CCOC(C)(C)C1 ZINC001255527347 970289095 /nfs/dbraw/zinc/28/90/95/970289095.db2.gz KDKGTXUYXAOMKR-LBPRGKRZSA-N 2 1 228.380 2.003 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+](C)C2CCN(C)CC2)C1 ZINC001170124231 970366085 /nfs/dbraw/zinc/36/60/85/970366085.db2.gz FVPPQXYIYHLJOA-YPMHNXCESA-N 2 1 210.365 2.201 20 0 BEADMP Cc1ccc(C[C@H](C)n2c[nH+]cc2CC[NH3+])cc1 ZINC001255774164 970477841 /nfs/dbraw/zinc/47/78/41/970477841.db2.gz XMEHKGWRIJZBOL-ZDUSSCGKSA-N 2 1 243.354 2.496 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)C1 ZINC001170156345 970482952 /nfs/dbraw/zinc/48/29/52/970482952.db2.gz DJSWOKWRQIJQAF-YIYPIFLZSA-N 2 1 222.376 2.059 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000400131573 970550886 /nfs/dbraw/zinc/55/08/86/970550886.db2.gz VGFZHIKAIFMQNU-YIOUJQMASA-N 2 1 222.376 2.093 20 0 BEADMP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000400138103 970557466 /nfs/dbraw/zinc/55/74/66/970557466.db2.gz YUCYAQHPUGPFSG-CLRIEMFWSA-N 2 1 222.376 2.106 20 0 BEADMP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000400138103 970557469 /nfs/dbraw/zinc/55/74/69/970557469.db2.gz YUCYAQHPUGPFSG-CLRIEMFWSA-N 2 1 222.376 2.106 20 0 BEADMP CCC[N@@H+](CCOC)[C@@H](C)CC[NH+](CC)CC ZINC001255954235 970587105 /nfs/dbraw/zinc/58/71/05/970587105.db2.gz BISFIUMNUDHUMG-AWEZNQCLSA-N 2 1 244.423 2.465 20 0 BEADMP CC[C@@H]1C[C@H]([N@@H+](CC)CCC[NH+](C)C)CCO1 ZINC001170238948 970619373 /nfs/dbraw/zinc/61/93/73/970619373.db2.gz LJMXGNAMYNBNQR-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP C1CC1[NH+]1CCC(N2CC3(C2)CCCC3)CC1 ZINC001256075825 970640995 /nfs/dbraw/zinc/64/09/95/970640995.db2.gz RZDMAFVBDTVDDC-UHFFFAOYSA-N 2 1 234.387 2.489 20 0 BEADMP C1CC1[NH+]1CCC([NH+]2CC3(C2)CCCC3)CC1 ZINC001256075825 970641000 /nfs/dbraw/zinc/64/10/00/970641000.db2.gz RZDMAFVBDTVDDC-UHFFFAOYSA-N 2 1 234.387 2.489 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC001256196847 970687403 /nfs/dbraw/zinc/68/74/03/970687403.db2.gz ZAWYUBAULPLVQT-OAHLLOKOSA-N 2 1 248.345 2.497 20 0 BEADMP Cc1cc2c(cn1)[C@H]([NH2+]C1CC[NH+](C)CC1)CC2 ZINC001256198745 970694532 /nfs/dbraw/zinc/69/45/32/970694532.db2.gz STHVFAVIZFCRLN-OAHLLOKOSA-N 2 1 245.370 2.061 20 0 BEADMP CN1CCC([N@H+]2CCC[C@@H]2c2ccncc2)CC1 ZINC001256207220 970709504 /nfs/dbraw/zinc/70/95/04/970709504.db2.gz COHVNYLAQHRVNG-OAHLLOKOSA-N 2 1 245.370 2.313 20 0 BEADMP C[NH+]1CCC([NH+]2CCc3ccccc3CC2)CC1 ZINC001256207181 970711333 /nfs/dbraw/zinc/71/13/33/970711333.db2.gz BFCZGVHFABZWQL-UHFFFAOYSA-N 2 1 244.382 2.181 20 0 BEADMP C[C@@H]1CCC[N@H+](C2CCN(C)CC2)[C@H]1C ZINC001256207228 970714263 /nfs/dbraw/zinc/71/42/63/970714263.db2.gz DAHXUSYAADEEHS-NEPJUHHUSA-N 2 1 210.365 2.201 20 0 BEADMP CC(C)OCC[C@@H](C)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246546062 972661794 /nfs/dbraw/zinc/66/17/94/972661794.db2.gz MOGGUVIZJRYFCC-XQQFMLRXSA-N 2 1 228.380 2.002 20 0 BEADMP CC(C)OCC[C@@H](C)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246546062 972661798 /nfs/dbraw/zinc/66/17/98/972661798.db2.gz MOGGUVIZJRYFCC-XQQFMLRXSA-N 2 1 228.380 2.002 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001246548261 972681980 /nfs/dbraw/zinc/68/19/80/972681980.db2.gz JVTMBMAWZAFVAJ-FRRDWIJNSA-N 2 1 228.355 2.328 20 0 BEADMP C[C@@H](CC1CC1)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246560413 972791887 /nfs/dbraw/zinc/79/18/87/972791887.db2.gz ULPMPFLRVLILIC-ONGXEEELSA-N 2 1 232.318 2.091 20 0 BEADMP C[C@@]1(F)CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246566876 972816470 /nfs/dbraw/zinc/81/64/70/972816470.db2.gz JPPVJRGKQQRRDS-QNMSZWNNSA-N 2 1 240.366 2.484 20 0 BEADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CO1 ZINC001246572990 972864539 /nfs/dbraw/zinc/86/45/39/972864539.db2.gz DSOHJILIZWFVCE-TZMCWYRMSA-N 2 1 240.391 2.005 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](C2CCCCC2)CC[C@@H]1F ZINC001246593399 973005389 /nfs/dbraw/zinc/00/53/89/973005389.db2.gz WXFJRKFGGGWBQM-NWDGAFQWSA-N 2 1 214.328 2.080 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](C2CCCCC2)CC[C@@H]1F ZINC001246593399 973005401 /nfs/dbraw/zinc/00/54/01/973005401.db2.gz WXFJRKFGGGWBQM-NWDGAFQWSA-N 2 1 214.328 2.080 20 0 BEADMP CC1CCC([N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246594609 973006885 /nfs/dbraw/zinc/00/68/85/973006885.db2.gz XBLGPJXENCJJDT-TYUFSLCMSA-N 2 1 228.355 2.326 20 0 BEADMP CC1CCC([N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246594609 973006900 /nfs/dbraw/zinc/00/69/00/973006900.db2.gz XBLGPJXENCJJDT-TYUFSLCMSA-N 2 1 228.355 2.326 20 0 BEADMP CC1(C)CCC([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001246637724 973053161 /nfs/dbraw/zinc/05/31/61/973053161.db2.gz IYGNCBYAKHJNOZ-CHWSQXEVSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@H]1CC[C@H]([N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)C[NH2+]1 ZINC001246654522 973070661 /nfs/dbraw/zinc/07/06/61/973070661.db2.gz ICSDDTWLEVWPPT-USZNOCQGSA-N 2 1 244.329 2.104 20 0 BEADMP COCC[C@H]1CCCC[N@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246781016 973087410 /nfs/dbraw/zinc/08/74/10/973087410.db2.gz DBLNNVGKJGDULP-MCIONIFRSA-N 2 1 240.391 2.018 20 0 BEADMP c1ccc(C[C@H]2CC[N@@H+]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001246789639 973096028 /nfs/dbraw/zinc/09/60/28/973096028.db2.gz DANSNFKKIRBENB-HZPDHXFCSA-N 2 1 244.382 2.303 20 0 BEADMP c1ccc(C[C@H]2CC[N@H+]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001246789639 973096043 /nfs/dbraw/zinc/09/60/43/973096043.db2.gz DANSNFKKIRBENB-HZPDHXFCSA-N 2 1 244.382 2.303 20 0 BEADMP CSC(C)(C)C[C@H](C)[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246854708 973175209 /nfs/dbraw/zinc/17/52/09/973175209.db2.gz QQWKUJGHLLWIBQ-LOWVWBTDSA-N 2 1 242.432 2.330 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cncc(C)c1 ZINC001329024800 973433704 /nfs/dbraw/zinc/43/37/04/973433704.db2.gz VDJCYOWFDUBEBE-NEPJUHHUSA-N 2 1 221.348 2.039 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@@H]32)CC(C)(C)C1 ZINC001246919620 973482553 /nfs/dbraw/zinc/48/25/53/973482553.db2.gz NPXLIWBUVIXESV-NDBYEHHHSA-N 2 1 222.376 2.105 20 0 BEADMP C[C@@H]1C[C@H](C[N@@H+](C)CCC(F)(F)F)CC[NH2+]1 ZINC000235274300 973827409 /nfs/dbraw/zinc/82/74/09/973827409.db2.gz NJHQWIPDOWSIFV-NXEZZACHSA-N 2 1 238.297 2.259 20 0 BEADMP CC[NH+](CC)C[C@H](C)OC[C@H]1CCCC[N@H+]1C ZINC001224703954 973870345 /nfs/dbraw/zinc/87/03/45/973870345.db2.gz VYLOMZYUVHZGHO-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP CC(C)(C[NH3+])[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171397717 974008149 /nfs/dbraw/zinc/00/81/49/974008149.db2.gz SZCCOQZBBKYPNC-NSHDSACASA-N 2 1 236.334 2.010 20 0 BEADMP CCOC(=[NH2+])CCCCO[C@H]1CC[N@H+](CC)C1 ZINC001224963173 974103247 /nfs/dbraw/zinc/10/32/47/974103247.db2.gz IANCLYFWQBDYJL-LBPRGKRZSA-N 2 1 242.363 2.281 20 0 BEADMP CCOC(=[NH2+])CCCCO[C@H]1CC[N@@H+](CC)C1 ZINC001224963173 974103253 /nfs/dbraw/zinc/10/32/53/974103253.db2.gz IANCLYFWQBDYJL-LBPRGKRZSA-N 2 1 242.363 2.281 20 0 BEADMP CCOC(=[NH2+])CCCCO[C@@H]1CC[N@H+](CC)C1 ZINC001224963172 974103863 /nfs/dbraw/zinc/10/38/63/974103863.db2.gz IANCLYFWQBDYJL-GFCCVEGCSA-N 2 1 242.363 2.281 20 0 BEADMP CCOC(=[NH2+])CCCCO[C@@H]1CC[N@@H+](CC)C1 ZINC001224963172 974103870 /nfs/dbraw/zinc/10/38/70/974103870.db2.gz IANCLYFWQBDYJL-GFCCVEGCSA-N 2 1 242.363 2.281 20 0 BEADMP Cc1nocc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172098506 974338039 /nfs/dbraw/zinc/33/80/39/974338039.db2.gz FKPBRFSIOOYWTM-ZSOGYDGISA-N 2 1 249.358 2.088 20 0 BEADMP Cc1nocc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098506 974338048 /nfs/dbraw/zinc/33/80/48/974338048.db2.gz FKPBRFSIOOYWTM-ZSOGYDGISA-N 2 1 249.358 2.088 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C13CC(C1)C3)C2 ZINC001172104051 974370649 /nfs/dbraw/zinc/37/06/49/974370649.db2.gz ZFCYMDFJUOVQEF-VDLCUWCOSA-N 2 1 220.360 2.144 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C13CC(C1)C3)C2 ZINC001172104051 974370666 /nfs/dbraw/zinc/37/06/66/974370666.db2.gz ZFCYMDFJUOVQEF-VDLCUWCOSA-N 2 1 220.360 2.144 20 0 BEADMP CC[N@H+](C1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172112864 974373159 /nfs/dbraw/zinc/37/31/59/974373159.db2.gz GEPMNJHPPSQNNH-BTTYYORXSA-N 2 1 222.376 2.486 20 0 BEADMP CC[N@@H+](C1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172112864 974373168 /nfs/dbraw/zinc/37/31/68/974373168.db2.gz GEPMNJHPPSQNNH-BTTYYORXSA-N 2 1 222.376 2.486 20 0 BEADMP CC[NH+](C1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112864 974373178 /nfs/dbraw/zinc/37/31/78/974373178.db2.gz GEPMNJHPPSQNNH-BTTYYORXSA-N 2 1 222.376 2.486 20 0 BEADMP CC[NH+](C1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112864 974373183 /nfs/dbraw/zinc/37/31/83/974373183.db2.gz GEPMNJHPPSQNNH-BTTYYORXSA-N 2 1 222.376 2.486 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC(C)(C)C1)C2 ZINC001172109155 974376925 /nfs/dbraw/zinc/37/69/25/974376925.db2.gz BUHCPGLHDBTZED-CLLJXQQHSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@@H]1C[C@H](F)C[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120455 974381978 /nfs/dbraw/zinc/38/19/78/974381978.db2.gz KZXWAIWTQSFWRU-BJJPWKGXSA-N 2 1 240.366 2.434 20 0 BEADMP C[C@@H]1C[C@H](F)C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120455 974381989 /nfs/dbraw/zinc/38/19/89/974381989.db2.gz KZXWAIWTQSFWRU-BJJPWKGXSA-N 2 1 240.366 2.434 20 0 BEADMP C[C@@H]1C[C@H](F)C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120455 974381999 /nfs/dbraw/zinc/38/19/99/974381999.db2.gz KZXWAIWTQSFWRU-BJJPWKGXSA-N 2 1 240.366 2.434 20 0 BEADMP [NH3+][C@H]1CC[N@H+](Cc2ccccc2F)CC[C@@H]1F ZINC001206157335 974382337 /nfs/dbraw/zinc/38/23/37/974382337.db2.gz XZFSYNQDJVFCBE-STQMWFEESA-N 2 1 240.297 2.087 20 0 BEADMP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2F)CC[C@@H]1F ZINC001206157335 974382350 /nfs/dbraw/zinc/38/23/50/974382350.db2.gz XZFSYNQDJVFCBE-STQMWFEESA-N 2 1 240.297 2.087 20 0 BEADMP CC[NH+](CC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114091 974384060 /nfs/dbraw/zinc/38/40/60/974384060.db2.gz PDLAPTXWSPIFKR-CLLJXQQHSA-N 2 1 210.365 2.344 20 0 BEADMP CC[NH+](CC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172114091 974384064 /nfs/dbraw/zinc/38/40/64/974384064.db2.gz PDLAPTXWSPIFKR-CLLJXQQHSA-N 2 1 210.365 2.344 20 0 BEADMP CC/C=C\CCC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206157455 974389094 /nfs/dbraw/zinc/38/90/94/974389094.db2.gz YTFIQBKWMWNEPC-LDIIPZEWSA-N 2 1 228.355 2.494 20 0 BEADMP CC/C=C\CCC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206157455 974389102 /nfs/dbraw/zinc/38/91/02/974389102.db2.gz YTFIQBKWMWNEPC-LDIIPZEWSA-N 2 1 228.355 2.494 20 0 BEADMP Cc1csc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206163804 974514963 /nfs/dbraw/zinc/51/49/63/974514963.db2.gz GCTDDVXZXGKPLO-NEPJUHHUSA-N 2 1 242.363 2.318 20 0 BEADMP Cc1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)cs1 ZINC001331286432 974670835 /nfs/dbraw/zinc/67/08/35/974670835.db2.gz BMDNYCKPJGZKBH-UHFFFAOYSA-N 2 1 236.384 2.384 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@H](C)CCOC(C)C ZINC001172432852 974720268 /nfs/dbraw/zinc/72/02/68/974720268.db2.gz CYAXMEHWCKTZOY-CYBMUJFWSA-N 2 1 230.396 2.251 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CC[C@H](C)[C@@H]1c1ccccc1 ZINC001331707938 974798402 /nfs/dbraw/zinc/79/84/02/974798402.db2.gz XVOMXVDFVVOXKI-SGMGOOAPSA-N 2 1 218.344 2.417 20 0 BEADMP CC(C)COCC[C@H](C)n1c[nH+]cc1CC[NH3+] ZINC001172453001 974816897 /nfs/dbraw/zinc/81/68/97/974816897.db2.gz AHTHELKKSXQSOL-LBPRGKRZSA-N 2 1 239.363 2.008 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccccc1OC ZINC001331832637 974830329 /nfs/dbraw/zinc/83/03/29/974830329.db2.gz GAVVLSCUZWGNRK-NEPJUHHUSA-N 2 1 236.359 2.344 20 0 BEADMP CC[C@@H]([NH2+]C/C=C\C1CC1)[C@@H]1CCC[NH2+]1 ZINC001331836551 974833163 /nfs/dbraw/zinc/83/31/63/974833163.db2.gz XTCYRNVBMDOBAC-NZTAEXDXSA-N 2 1 208.349 2.073 20 0 BEADMP CC(C)(C[NH3+])[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001172708486 974925312 /nfs/dbraw/zinc/92/53/12/974925312.db2.gz HBSYYKWUZUKCIK-LBPRGKRZSA-N 2 1 238.762 2.134 20 0 BEADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1C[C@H]1N ZINC001172840211 974956419 /nfs/dbraw/zinc/95/64/19/974956419.db2.gz CUERYRIRXHSWEK-NZXMKCKXSA-N 2 1 242.725 2.099 20 0 BEADMP CC[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)C1 ZINC001173295495 975178824 /nfs/dbraw/zinc/17/88/24/975178824.db2.gz QFTBXVOOFBOOJQ-APIJFGDWSA-N 2 1 236.403 2.449 20 0 BEADMP C[C@@H](C1CC1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC001332991555 975360006 /nfs/dbraw/zinc/36/00/06/975360006.db2.gz QUGQJBCVFMVUPI-AAEUAGOBSA-N 2 1 210.365 2.201 20 0 BEADMP Cc1ncoc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC001334366922 976469331 /nfs/dbraw/zinc/46/93/31/976469331.db2.gz IEJJGHWSJZCOCT-UHFFFAOYSA-N 2 1 249.358 2.043 20 0 BEADMP C[C@H](C[NH+](C)C)Oc1ccc2c(c1)CC[N@H+](C)C2 ZINC001228936125 976592263 /nfs/dbraw/zinc/59/22/63/976592263.db2.gz BXNZKJMMKWLUTO-GFCCVEGCSA-N 2 1 248.370 2.003 20 0 BEADMP C[C@H](c1cccc(O[C@@H]2CC[N@@H+](C)C2)c1)[NH+](C)C ZINC001229625583 976915863 /nfs/dbraw/zinc/91/58/63/976915863.db2.gz IDQDXBKJMSGZLZ-IUODEOHRSA-N 2 1 248.370 2.392 20 0 BEADMP c1cc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc[nH+]1 ZINC001336398633 977660127 /nfs/dbraw/zinc/66/01/27/977660127.db2.gz DFQKPXMMELMTBW-CQSZACIVSA-N 2 1 245.370 2.322 20 0 BEADMP CC1(C)C[NH+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232012109 977839650 /nfs/dbraw/zinc/83/96/50/977839650.db2.gz SPNPRVYPSFJNMM-UHFFFAOYSA-N 2 1 215.300 2.405 20 0 BEADMP Cc1cc[nH+]c(N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC001277679280 978172229 /nfs/dbraw/zinc/17/22/29/978172229.db2.gz AGWGOCWSXXLXIQ-HNNXBMFYSA-N 2 1 245.370 2.312 20 0 BEADMP Cc1cc[nH+]c(N2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC001277679280 978172234 /nfs/dbraw/zinc/17/22/34/978172234.db2.gz AGWGOCWSXXLXIQ-HNNXBMFYSA-N 2 1 245.370 2.312 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC000149345950 978426459 /nfs/dbraw/zinc/42/64/59/978426459.db2.gz KLKVZEBDSNWECR-IAQYHMDHSA-N 2 1 248.345 2.354 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)nc1 ZINC001206312067 978494449 /nfs/dbraw/zinc/49/44/49/978494449.db2.gz YWHKATZKPZGNFX-OAHLLOKOSA-N 2 1 247.386 2.341 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)nc1 ZINC001206312066 978495442 /nfs/dbraw/zinc/49/54/42/978495442.db2.gz YWHKATZKPZGNFX-HNNXBMFYSA-N 2 1 247.386 2.341 20 0 BEADMP C[NH+](C)CCC[N@H+](C)Cc1cccc2c1CCO2 ZINC001233273910 978526151 /nfs/dbraw/zinc/52/61/51/978526151.db2.gz XAJLMAYJQSHKNR-UHFFFAOYSA-N 2 1 248.370 2.005 20 0 BEADMP C[NH+](C)CCC[N@@H+](C)Cc1cccc2c1CCO2 ZINC001233273910 978526157 /nfs/dbraw/zinc/52/61/57/978526157.db2.gz XAJLMAYJQSHKNR-UHFFFAOYSA-N 2 1 248.370 2.005 20 0 BEADMP Cc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc(C)n1 ZINC001178311069 978551034 /nfs/dbraw/zinc/55/10/34/978551034.db2.gz WXUSCLNLDPAWFP-UHFFFAOYSA-N 2 1 245.370 2.050 20 0 BEADMP C[N@@H+]1CCC[C@@H](Oc2ccc3[nH+]ccn3c2)CC1 ZINC001233748382 978687027 /nfs/dbraw/zinc/68/70/27/978687027.db2.gz IONBSWMYNXFACQ-GFCCVEGCSA-N 2 1 245.326 2.197 20 0 BEADMP C[N@H+]1CCC[C@@H](Oc2ccc3[nH+]ccn3c2)CC1 ZINC001233748382 978687037 /nfs/dbraw/zinc/68/70/37/978687037.db2.gz IONBSWMYNXFACQ-GFCCVEGCSA-N 2 1 245.326 2.197 20 0 BEADMP CCc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)o1 ZINC001179817651 978760827 /nfs/dbraw/zinc/76/08/27/978760827.db2.gz RAJPBUUFGRCAQC-BYCMXARLSA-N 2 1 248.370 2.272 20 0 BEADMP CCc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)o1 ZINC001179817651 978760829 /nfs/dbraw/zinc/76/08/29/978760829.db2.gz RAJPBUUFGRCAQC-BYCMXARLSA-N 2 1 248.370 2.272 20 0 BEADMP CC1=C[C@@H](C)[C@@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001235006921 978949725 /nfs/dbraw/zinc/94/97/25/978949725.db2.gz MPNKYFPMICNLQD-LXTVHRRPSA-N 2 1 234.387 2.273 20 0 BEADMP C(C1CCCCC1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235074157 978970029 /nfs/dbraw/zinc/97/00/29/978970029.db2.gz FLXTYFQAIOUAET-CHWSQXEVSA-N 2 1 208.349 2.003 20 0 BEADMP C(C1CCCCC1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235074157 978970036 /nfs/dbraw/zinc/97/00/36/978970036.db2.gz FLXTYFQAIOUAET-CHWSQXEVSA-N 2 1 208.349 2.003 20 0 BEADMP CCCCC[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235126093 978979526 /nfs/dbraw/zinc/97/95/26/978979526.db2.gz RXTFRHNEPSCJLA-CYBMUJFWSA-N 2 1 210.365 2.395 20 0 BEADMP CCCCC[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235126093 978979530 /nfs/dbraw/zinc/97/95/30/978979530.db2.gz RXTFRHNEPSCJLA-CYBMUJFWSA-N 2 1 210.365 2.395 20 0 BEADMP C(C1CCC1)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235122643 978979642 /nfs/dbraw/zinc/97/96/42/978979642.db2.gz HPWIHAUGJIGRAF-CYBMUJFWSA-N 2 1 208.349 2.005 20 0 BEADMP CCc1cccc(C)c1C[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235170482 978986952 /nfs/dbraw/zinc/98/69/52/978986952.db2.gz BDNWJDSBNQZQHD-GOEBONIOSA-N 2 1 244.382 2.481 20 0 BEADMP CCc1cccc(C)c1C[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235170482 978986953 /nfs/dbraw/zinc/98/69/53/978986953.db2.gz BDNWJDSBNQZQHD-GOEBONIOSA-N 2 1 244.382 2.481 20 0 BEADMP C[N@H+]1CCC2(C1)CC[NH+](C1CCCC1)CC2 ZINC001277929507 978993323 /nfs/dbraw/zinc/99/33/23/978993323.db2.gz WASICITZOPPQKA-UHFFFAOYSA-N 2 1 222.376 2.347 20 0 BEADMP [NH3+][C@@H]1[C@H]2C[N@H+](CCCC3CCCCC3)C[C@H]21 ZINC001235210619 979000630 /nfs/dbraw/zinc/00/06/30/979000630.db2.gz OTBBWLWHFCUHBY-WDNDVIMCSA-N 2 1 222.376 2.236 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)CC1 ZINC001235256768 979009155 /nfs/dbraw/zinc/00/91/55/979009155.db2.gz GQMUBVNKTKODFG-AJNGGQMLSA-N 2 1 234.387 2.273 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@@H]3C[NH2+]CC[C@H]32)CC1 ZINC001235256776 979009498 /nfs/dbraw/zinc/00/94/98/979009498.db2.gz GQMUBVNKTKODFG-ZQDZILKHSA-N 2 1 234.387 2.273 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)c(C)c1 ZINC001235261765 979015851 /nfs/dbraw/zinc/01/58/51/979015851.db2.gz PULLAPQYSGVTHP-HOCLYGCPSA-N 2 1 244.382 2.406 20 0 BEADMP Cc1cc(C)c(C[N@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)c(C)c1 ZINC001235261765 979015857 /nfs/dbraw/zinc/01/58/57/979015857.db2.gz PULLAPQYSGVTHP-HOCLYGCPSA-N 2 1 244.382 2.406 20 0 BEADMP CCCC1CC[NH+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001235673626 979113391 /nfs/dbraw/zinc/11/33/91/979113391.db2.gz PXYPRPVDMGSFNQ-ZDUSSCGKSA-N 2 1 240.391 2.223 20 0 BEADMP [NH3+]CCCC[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001235690661 979117933 /nfs/dbraw/zinc/11/79/33/979117933.db2.gz GTCDOJHXDMNKMO-OAHLLOKOSA-N 2 1 248.370 2.269 20 0 BEADMP CCc1ccc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235710611 979131089 /nfs/dbraw/zinc/13/10/89/979131089.db2.gz CGHIYUDPKORFAP-UHFFFAOYSA-N 2 1 244.382 2.434 20 0 BEADMP CCc1ccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235710611 979131094 /nfs/dbraw/zinc/13/10/94/979131094.db2.gz CGHIYUDPKORFAP-UHFFFAOYSA-N 2 1 244.382 2.434 20 0 BEADMP Cc1cccc(CC[N@H+]2C[C@@H]([NH3+])CC[C@@H]2C)c1 ZINC001235891969 979183613 /nfs/dbraw/zinc/18/36/13/979183613.db2.gz IXVZKHJIAYXYRU-ZFWWWQNUSA-N 2 1 232.371 2.349 20 0 BEADMP Cc1cccc(CC[N@@H+]2C[C@@H]([NH3+])CC[C@@H]2C)c1 ZINC001235891969 979183618 /nfs/dbraw/zinc/18/36/18/979183618.db2.gz IXVZKHJIAYXYRU-ZFWWWQNUSA-N 2 1 232.371 2.349 20 0 BEADMP [NH3+]CCCC[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001235934259 979212453 /nfs/dbraw/zinc/21/24/53/979212453.db2.gz KVOAVJUMGKAORW-ZDUSSCGKSA-N 2 1 236.334 2.354 20 0 BEADMP C(CC1CCCC1)C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235929330 979213595 /nfs/dbraw/zinc/21/35/95/979213595.db2.gz MCKSDXMAFQAWIU-GJZGRUSLSA-N 2 1 236.403 2.498 20 0 BEADMP CC(C)[N@H+](CC[NH3+])Cc1ccc2c(c1)NCCC2 ZINC001235946926 979218749 /nfs/dbraw/zinc/21/87/49/979218749.db2.gz DHLZBBNYVIKDBB-UHFFFAOYSA-N 2 1 247.386 2.214 20 0 BEADMP CC(C)[N@@H+](CC[NH3+])Cc1ccc2c(c1)NCCC2 ZINC001235946926 979218761 /nfs/dbraw/zinc/21/87/61/979218761.db2.gz DHLZBBNYVIKDBB-UHFFFAOYSA-N 2 1 247.386 2.214 20 0 BEADMP C[N@@H+](CC[C@H]1CCCC[NH2+]1)C[C@@H]1CC1(C)C ZINC001235959556 979228834 /nfs/dbraw/zinc/22/88/34/979228834.db2.gz YRUHZIIAFDIEPQ-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H](C[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1)c1ccccc1 ZINC001235976608 979240428 /nfs/dbraw/zinc/24/04/28/979240428.db2.gz AJMBNGWFBNUNCJ-SNPRPXQTSA-N 2 1 230.355 2.213 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235977789 979245157 /nfs/dbraw/zinc/24/51/57/979245157.db2.gz HYKUKIJAQUAQFP-XQLPTFJDSA-N 2 1 234.387 2.402 20 0 BEADMP [NH3+][C@]12CC[C@H]1C[N@H+](CC1CCC(F)(F)CC1)C2 ZINC001235979930 979251698 /nfs/dbraw/zinc/25/16/98/979251698.db2.gz OKAOHBHAOSQZKI-RYUDHWBXSA-N 2 1 244.329 2.235 20 0 BEADMP [NH3+][C@]12CC[C@H]1C[N@@H+](CC1CCC(F)(F)CC1)C2 ZINC001235979930 979251713 /nfs/dbraw/zinc/25/17/13/979251713.db2.gz OKAOHBHAOSQZKI-RYUDHWBXSA-N 2 1 244.329 2.235 20 0 BEADMP [NH3+][C@]12CC[C@@H]1C[N@H+](CCCc1cccc(F)c1)C2 ZINC001235981818 979256252 /nfs/dbraw/zinc/25/62/52/979256252.db2.gz XRJVBDNFQWBTCG-HIFRSBDPSA-N 2 1 248.345 2.181 20 0 BEADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](CCCc1cccc(F)c1)C2 ZINC001235981818 979256266 /nfs/dbraw/zinc/25/62/66/979256266.db2.gz XRJVBDNFQWBTCG-HIFRSBDPSA-N 2 1 248.345 2.181 20 0 BEADMP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1c[nH]c3ccccc13)C2 ZINC001235982158 979260700 /nfs/dbraw/zinc/26/07/00/979260700.db2.gz UFWKGIFYLQLMKO-SWLSCSKDSA-N 2 1 241.338 2.091 20 0 BEADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1c[nH]c3ccccc13)C2 ZINC001235982158 979260714 /nfs/dbraw/zinc/26/07/14/979260714.db2.gz UFWKGIFYLQLMKO-SWLSCSKDSA-N 2 1 241.338 2.091 20 0 BEADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccccc1C1CC1)C2 ZINC001235989217 979271086 /nfs/dbraw/zinc/27/10/86/979271086.db2.gz IJGGFZYPSNIDHV-GDBMZVCRSA-N 2 1 242.366 2.487 20 0 BEADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccccc1C1CC1)C2 ZINC001235989217 979271106 /nfs/dbraw/zinc/27/11/06/979271106.db2.gz IJGGFZYPSNIDHV-GDBMZVCRSA-N 2 1 242.366 2.487 20 0 BEADMP CC[N@@H+](CCCC[NH3+])Cc1cccc(F)c1 ZINC001236042251 979336643 /nfs/dbraw/zinc/33/66/43/979336643.db2.gz PMEJIWLONQXBRP-UHFFFAOYSA-N 2 1 224.323 2.387 20 0 BEADMP COc1ccc([C@H]2CC[N@@H+](CCCC[NH3+])C2)cc1 ZINC001236097718 979388070 /nfs/dbraw/zinc/38/80/70/979388070.db2.gz MTYBQBWZHCJZRV-AWEZNQCLSA-N 2 1 248.370 2.223 20 0 BEADMP COc1ccc([C@@H]2CC[N@@H+](CCCC[NH3+])C2)cc1 ZINC001236097719 979390102 /nfs/dbraw/zinc/39/01/02/979390102.db2.gz MTYBQBWZHCJZRV-CQSZACIVSA-N 2 1 248.370 2.223 20 0 BEADMP CNc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236218337 979453755 /nfs/dbraw/zinc/45/37/55/979453755.db2.gz SDEVTIORHRFACZ-GJZGRUSLSA-N 2 1 247.386 2.430 20 0 BEADMP CNc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236218337 979453759 /nfs/dbraw/zinc/45/37/59/979453759.db2.gz SDEVTIORHRFACZ-GJZGRUSLSA-N 2 1 247.386 2.430 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+]1CC1CCC(F)(F)CC1 ZINC001236244789 979463207 /nfs/dbraw/zinc/46/32/07/979463207.db2.gz NTPYYQOXJOOYSU-LLVKDONJSA-N 2 1 232.318 2.235 20 0 BEADMP [NH3+]C[C@H]1CCC[N@H+]1CC1CCC(F)(F)CC1 ZINC001236244789 979463214 /nfs/dbraw/zinc/46/32/14/979463214.db2.gz NTPYYQOXJOOYSU-LLVKDONJSA-N 2 1 232.318 2.235 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc2ccoc21 ZINC001236251185 979473281 /nfs/dbraw/zinc/47/32/81/979473281.db2.gz PNPCFXYPHLTCTL-CYBMUJFWSA-N 2 1 230.311 2.356 20 0 BEADMP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc2ccoc21 ZINC001236251185 979473286 /nfs/dbraw/zinc/47/32/86/979473286.db2.gz PNPCFXYPHLTCTL-CYBMUJFWSA-N 2 1 230.311 2.356 20 0 BEADMP C1=CC[C@H](C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC1 ZINC001236314039 979522984 /nfs/dbraw/zinc/52/29/84/979522984.db2.gz GXZGXLGSQQEOMR-SOUVJXGZSA-N 2 1 234.387 2.274 20 0 BEADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000085622341 979525877 /nfs/dbraw/zinc/52/58/77/979525877.db2.gz GQZQJRGWIJZHED-ZDUSSCGKSA-N 2 1 244.382 2.359 20 0 BEADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000085622341 979525889 /nfs/dbraw/zinc/52/58/89/979525889.db2.gz GQZQJRGWIJZHED-ZDUSSCGKSA-N 2 1 244.382 2.359 20 0 BEADMP CCc1cccc(C)c1C[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236410448 979585883 /nfs/dbraw/zinc/58/58/83/979585883.db2.gz BQCVDDMZVDBXCO-FOLVSLTJSA-N 2 1 244.382 2.207 20 0 BEADMP CCc1cccc(C)c1C[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236410448 979585904 /nfs/dbraw/zinc/58/59/04/979585904.db2.gz BQCVDDMZVDBXCO-FOLVSLTJSA-N 2 1 244.382 2.207 20 0 BEADMP CCCC[C@@H](CC)C[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412466 979588583 /nfs/dbraw/zinc/58/85/83/979588583.db2.gz VEVXZWGZCWMPAK-MQYQWHSLSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1cccc2c1CCC2 ZINC001236419277 979590285 /nfs/dbraw/zinc/59/02/85/979590285.db2.gz LLLRUOYYTZZBGL-BLLLJJGKSA-N 2 1 244.382 2.487 20 0 BEADMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1cccc2c1CCC2 ZINC001236419277 979590289 /nfs/dbraw/zinc/59/02/89/979590289.db2.gz LLLRUOYYTZZBGL-BLLLJJGKSA-N 2 1 244.382 2.487 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1cccc2c1CCC2 ZINC001236419280 979590571 /nfs/dbraw/zinc/59/05/71/979590571.db2.gz LLLRUOYYTZZBGL-LRDDRELGSA-N 2 1 244.382 2.487 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1cccc2c1CCC2 ZINC001236419280 979590588 /nfs/dbraw/zinc/59/05/88/979590588.db2.gz LLLRUOYYTZZBGL-LRDDRELGSA-N 2 1 244.382 2.487 20 0 BEADMP Cc1cccc(CC[N@H+]2CCC[C@H]([NH3+])[C@@H]2C)c1 ZINC001236416563 979591216 /nfs/dbraw/zinc/59/12/16/979591216.db2.gz VMYCZXMTANSOKQ-ZFWWWQNUSA-N 2 1 232.371 2.349 20 0 BEADMP Cc1cccc(CC[N@@H+]2CCC[C@H]([NH3+])[C@@H]2C)c1 ZINC001236416563 979591225 /nfs/dbraw/zinc/59/12/25/979591225.db2.gz VMYCZXMTANSOKQ-ZFWWWQNUSA-N 2 1 232.371 2.349 20 0 BEADMP CCOC(C)(C)C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206542353 979654742 /nfs/dbraw/zinc/65/47/42/979654742.db2.gz YZQQYFHYWJVSSI-CQSZACIVSA-N 2 1 242.407 2.252 20 0 BEADMP CCC(CC)[N@@H+](CCCO)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236781926 979723390 /nfs/dbraw/zinc/72/33/90/979723390.db2.gz BNHLVSQKRMPKGB-MQMHXKEQSA-N 2 1 242.407 2.129 20 0 BEADMP CCC(CC)[N@@H+](C[C@H](C)N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236781973 979730685 /nfs/dbraw/zinc/73/06/85/979730685.db2.gz DBBXKJQGBOXZGE-OBJOEFQTSA-N 2 1 241.423 2.094 20 0 BEADMP Cc1cnccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205267014 979823092 /nfs/dbraw/zinc/82/30/92/979823092.db2.gz ZTKCWEDNTDPHOQ-CQSZACIVSA-N 2 1 233.359 2.093 20 0 BEADMP Cc1cnccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205267013 979823678 /nfs/dbraw/zinc/82/36/78/979823678.db2.gz ZTKCWEDNTDPHOQ-AWEZNQCLSA-N 2 1 233.359 2.093 20 0 BEADMP CNc1ccccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205280682 979874740 /nfs/dbraw/zinc/87/47/40/979874740.db2.gz FUNIIQSFSPIKRP-OAHLLOKOSA-N 2 1 247.386 2.432 20 0 BEADMP CS[C@H](C)CC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237383613 979879463 /nfs/dbraw/zinc/87/94/63/979879463.db2.gz QQAIOHKBXDQBBJ-FRRDWIJNSA-N 2 1 242.432 2.202 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cnc1C ZINC001205289145 979939637 /nfs/dbraw/zinc/93/96/37/979939637.db2.gz TXRUQLDCDWFIGE-OAHLLOKOSA-N 2 1 247.386 2.402 20 0 BEADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001184386310 980058731 /nfs/dbraw/zinc/05/87/31/980058731.db2.gz BRKGZNJAWKPDFQ-PDWCTOEPSA-N 2 1 224.392 2.351 20 0 BEADMP CC[N@H+](Cc1cccc2c[nH+]cn21)C1CC1 ZINC001238103699 980152151 /nfs/dbraw/zinc/15/21/51/980152151.db2.gz ORUOTVFYPAKULU-UHFFFAOYSA-N 2 1 215.300 2.319 20 0 BEADMP CC[N@@H+](Cc1cccc2c[nH+]cn21)C1CC1 ZINC001238103699 980152162 /nfs/dbraw/zinc/15/21/62/980152162.db2.gz ORUOTVFYPAKULU-UHFFFAOYSA-N 2 1 215.300 2.319 20 0 BEADMP CC[NH+](CC)Cc1cccc2c[nH+]cn21 ZINC001238104573 980158273 /nfs/dbraw/zinc/15/82/73/980158273.db2.gz XFEYKUVVZXFJJQ-UHFFFAOYSA-N 2 1 203.289 2.176 20 0 BEADMP CCSC[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000157074896 980832886 /nfs/dbraw/zinc/83/28/86/980832886.db2.gz KLUBAIXGVSYGIW-NSHDSACASA-N 2 1 230.421 2.202 20 0 BEADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3C)C[C@@H]2C1 ZINC001203713847 980857024 /nfs/dbraw/zinc/85/70/24/980857024.db2.gz YFCDRRSQPSCLRQ-IYBDPMFKSA-N 2 1 244.382 2.379 20 0 BEADMP [NH3+]C[C@@]1(F)CCC[N@@H+](C[C@@H]2CC=CCC2)CC1 ZINC001205539442 980913541 /nfs/dbraw/zinc/91/35/41/980913541.db2.gz ZDTLOSJQXFDSNE-ZIAGYGMSSA-N 2 1 240.366 2.496 20 0 BEADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccsc2)CC1 ZINC001205545670 980947432 /nfs/dbraw/zinc/94/74/32/980947432.db2.gz LNFOBTADWUUHKZ-LBPRGKRZSA-N 2 1 242.363 2.401 20 0 BEADMP C[C@@H]1CC[N@@H+](CCC2CC2)CC[C@H]1C[NH3+] ZINC001205600448 981155892 /nfs/dbraw/zinc/15/58/92/981155892.db2.gz BSVWGBBXAWSABE-YPMHNXCESA-N 2 1 210.365 2.093 20 0 BEADMP CCCCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205602646 981165310 /nfs/dbraw/zinc/16/53/10/981165310.db2.gz KXRDNHFAAANRKN-QWHCGFSZSA-N 2 1 212.381 2.483 20 0 BEADMP C[C@@H]1CCC[N@@H+](CCCCNc2cc[nH+]cc2)C1 ZINC001347772063 981168697 /nfs/dbraw/zinc/16/86/97/981168697.db2.gz JZNLBQLFYYIGJM-CQSZACIVSA-N 2 1 247.386 2.428 20 0 BEADMP Cn1cc[nH+]c1[C@H]1CCCN(c2cc[nH+]cc2)C1 ZINC001347784022 981170434 /nfs/dbraw/zinc/17/04/34/981170434.db2.gz KQZCUJXWUUTEED-LBPRGKRZSA-N 2 1 242.326 2.199 20 0 BEADMP C[C@@H]1C[C@@H](NCc2cccn2C2CC2)CC[N@H+]1C ZINC001347781890 981170551 /nfs/dbraw/zinc/17/05/51/981170551.db2.gz JHZUFJVGVDTFAA-OLZOCXBDSA-N 2 1 247.386 2.395 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccn2C2CC2)CCN1C ZINC001347781890 981170556 /nfs/dbraw/zinc/17/05/56/981170556.db2.gz JHZUFJVGVDTFAA-OLZOCXBDSA-N 2 1 247.386 2.395 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccn2C2CC2)CC[N@@H+]1C ZINC001347781890 981170563 /nfs/dbraw/zinc/17/05/63/981170563.db2.gz JHZUFJVGVDTFAA-OLZOCXBDSA-N 2 1 247.386 2.395 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccn2C2CC2)CC[N@H+]1C ZINC001347781890 981170568 /nfs/dbraw/zinc/17/05/68/981170568.db2.gz JHZUFJVGVDTFAA-OLZOCXBDSA-N 2 1 247.386 2.395 20 0 BEADMP C[C@H]1C[C@H](NCc2cccn2C2CC2)CC[N@H+]1C ZINC001347781891 981172568 /nfs/dbraw/zinc/17/25/68/981172568.db2.gz JHZUFJVGVDTFAA-QWHCGFSZSA-N 2 1 247.386 2.395 20 0 BEADMP C[C@H]1C[C@H]([NH2+]Cc2cccn2C2CC2)CCN1C ZINC001347781891 981172571 /nfs/dbraw/zinc/17/25/71/981172571.db2.gz JHZUFJVGVDTFAA-QWHCGFSZSA-N 2 1 247.386 2.395 20 0 BEADMP C[C@H]1C[C@H]([NH2+]Cc2cccn2C2CC2)CC[N@@H+]1C ZINC001347781891 981172574 /nfs/dbraw/zinc/17/25/74/981172574.db2.gz JHZUFJVGVDTFAA-QWHCGFSZSA-N 2 1 247.386 2.395 20 0 BEADMP C[C@H]1C[C@H]([NH2+]Cc2cccn2C2CC2)CC[N@H+]1C ZINC001347781891 981172581 /nfs/dbraw/zinc/17/25/81/981172581.db2.gz JHZUFJVGVDTFAA-QWHCGFSZSA-N 2 1 247.386 2.395 20 0 BEADMP Cc1cccnc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205603991 981174604 /nfs/dbraw/zinc/17/46/04/981174604.db2.gz SXSIKGFAADBTGI-OCCSQVGLSA-N 2 1 247.386 2.197 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)o1 ZINC001205604821 981181999 /nfs/dbraw/zinc/18/19/99/981181999.db2.gz XUUMHOKJVIUUML-YPMHNXCESA-N 2 1 236.359 2.395 20 0 BEADMP C[N@H+]1CC[C@@H](c2ccc(C3=CCC[NH2+]C3)cc2)C1 ZINC001240671351 981583301 /nfs/dbraw/zinc/58/33/01/981583301.db2.gz SNZAUJHHZMJEHY-MRXNPFEDSA-N 2 1 242.366 2.482 20 0 BEADMP Nc1cc(-c2ccc3c(c2)[C@H]([NH3+])CC3)cc[nH+]1 ZINC001241175423 982323324 /nfs/dbraw/zinc/32/33/24/982323324.db2.gz BDTWQIAIUPEUIJ-CYBMUJFWSA-N 2 1 225.295 2.277 20 0 BEADMP C[N@H+]1CC=C(c2cc(N3CCCC3)cc[nH+]2)CC1 ZINC001241311135 982457937 /nfs/dbraw/zinc/45/79/37/982457937.db2.gz QFRGFOLPLCCBJO-UHFFFAOYSA-N 2 1 243.354 2.401 20 0 BEADMP C[N@@H+]1CC=C(c2cc(N3CCCC3)cc[nH+]2)CC1 ZINC001241311135 982457947 /nfs/dbraw/zinc/45/79/47/982457947.db2.gz QFRGFOLPLCCBJO-UHFFFAOYSA-N 2 1 243.354 2.401 20 0 BEADMP CC(C)C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001352113656 982474999 /nfs/dbraw/zinc/47/49/99/982474999.db2.gz TUJRLEINIGBMQF-IHRRRGAJSA-N 2 1 224.392 2.305 20 0 BEADMP C[C@H]([NH3+])c1cccc(C2=CC[N@@H+](C)CC2)c1 ZINC001241330519 982491128 /nfs/dbraw/zinc/49/11/28/982491128.db2.gz UVPYQNMTBBZXBH-NSHDSACASA-N 2 1 216.328 2.425 20 0 BEADMP C[N@@H+]1CC=C(c2ccc([C@H]3CC[NH2+]C3)cc2)CC1 ZINC001241333403 982499545 /nfs/dbraw/zinc/49/95/45/982499545.db2.gz VESHRZQOPMYQHR-INIZCTEOSA-N 2 1 242.366 2.482 20 0 BEADMP C[N@H+]1CCC=C(c2ccc([C@@H]3CCC[NH2+]3)cn2)C1 ZINC001241565020 982806957 /nfs/dbraw/zinc/80/69/57/982806957.db2.gz FOIWIDFWDMFROD-AWEZNQCLSA-N 2 1 243.354 2.225 20 0 BEADMP C[C@H]([NH3+])c1ccccc1C1=CCC[N@@H+](C)C1 ZINC001241570551 982823334 /nfs/dbraw/zinc/82/33/34/982823334.db2.gz KJMKBCZWEZKFQO-NSHDSACASA-N 2 1 216.328 2.425 20 0 BEADMP Cc1cc(C)c(-c2cnn(C3C[NH2+]C3)c2)c(C)[nH+]1 ZINC001241621118 982855275 /nfs/dbraw/zinc/85/52/75/982855275.db2.gz WBDRKNPWFGMGSQ-UHFFFAOYSA-N 2 1 242.326 2.015 20 0 BEADMP CC[N@H+]1C[C@@H](C)N(c2cc[nH+]cc2)C[C@@H]1C ZINC001354019629 983118302 /nfs/dbraw/zinc/11/83/02/983118302.db2.gz UBOVYSZGSRIGEY-NWDGAFQWSA-N 2 1 219.332 2.001 20 0 BEADMP CNc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1 ZINC001205915861 983185264 /nfs/dbraw/zinc/18/52/64/983185264.db2.gz RBYAWNMQBBDWMW-OCCSQVGLSA-N 2 1 247.386 2.288 20 0 BEADMP Cc1cc(N)[nH+]cc1-c1ccc(CC[NH3+])cc1 ZINC001242095380 983337547 /nfs/dbraw/zinc/33/75/47/983337547.db2.gz GIXFJYMZWAMOAJ-UHFFFAOYSA-N 2 1 227.311 2.140 20 0 BEADMP Cc1cc(N)[nH+]cc1-c1cccc(C[NH3+])c1F ZINC001242095940 983340106 /nfs/dbraw/zinc/34/01/06/983340106.db2.gz UIHLKQPWFOFJDZ-UHFFFAOYSA-N 2 1 231.274 2.237 20 0 BEADMP C[N@H+](CC1CCCC1)C1CC[NH+](C)CC1 ZINC001202120005 983562353 /nfs/dbraw/zinc/56/23/53/983562353.db2.gz CMDOWCZXZLVHJL-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP C[N@@H+](CC1CCCC1)C1CC[NH+](C)CC1 ZINC001202120005 983562372 /nfs/dbraw/zinc/56/23/72/983562372.db2.gz CMDOWCZXZLVHJL-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP CN1CCC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC001202190299 983594836 /nfs/dbraw/zinc/59/48/36/983594836.db2.gz NOAQXSRFJVFOON-UONOGXRCSA-N 2 1 222.376 2.203 20 0 BEADMP CC[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000150121410 983966636 /nfs/dbraw/zinc/96/66/36/983966636.db2.gz YVYFOKCGKGRFSZ-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000150121410 983966643 /nfs/dbraw/zinc/96/66/43/983966643.db2.gz YVYFOKCGKGRFSZ-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000339211246 984023223 /nfs/dbraw/zinc/02/32/23/984023223.db2.gz GUJCFSZJSRVAHS-HZSPNIEDSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1CC[C@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000339211246 984023233 /nfs/dbraw/zinc/02/32/33/984023233.db2.gz GUJCFSZJSRVAHS-HZSPNIEDSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1CC[C@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000339211246 984023243 /nfs/dbraw/zinc/02/32/43/984023243.db2.gz GUJCFSZJSRVAHS-HZSPNIEDSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC001578638377 984215919 /nfs/dbraw/zinc/21/59/19/984215919.db2.gz MRTQEUUIXKUUDO-PWQPVHBWSA-N 2 1 236.334 2.269 20 0 BEADMP C[C@H]1C[N@@H+](CC2CCCC2)CCC[C@H]1C[NH3+] ZINC001205985017 984220420 /nfs/dbraw/zinc/22/04/20/984220420.db2.gz VBHBJELQMSVOCA-JSGCOSHPSA-N 2 1 224.392 2.483 20 0 BEADMP C[N@H+]1CCC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001275180775 984512904 /nfs/dbraw/zinc/51/29/04/984512904.db2.gz JRCMODTVBWMDAR-UHFFFAOYSA-N 2 1 222.376 2.204 20 0 BEADMP C[C@@H]1C[C@H]1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001276031483 984790412 /nfs/dbraw/zinc/79/04/12/984790412.db2.gz HRLNDIDBRFKFLV-OLZOCXBDSA-N 2 1 222.376 2.060 20 0 BEADMP CCC[C@@H](CC)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001257266665 984865640 /nfs/dbraw/zinc/86/56/40/984865640.db2.gz QOKBLMPDIRCUBY-FRRDWIJNSA-N 2 1 210.365 2.059 20 0 BEADMP CCC[C@@H](CC)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001257266665 984865642 /nfs/dbraw/zinc/86/56/42/984865642.db2.gz QOKBLMPDIRCUBY-FRRDWIJNSA-N 2 1 210.365 2.059 20 0 BEADMP CCC[C@@H](CC)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001257266665 984865645 /nfs/dbraw/zinc/86/56/45/984865645.db2.gz QOKBLMPDIRCUBY-FRRDWIJNSA-N 2 1 210.365 2.059 20 0 BEADMP CC1(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CCCC1 ZINC000685990073 985027936 /nfs/dbraw/zinc/02/79/36/985027936.db2.gz WRGPHZCAQDRCLU-QWHCGFSZSA-N 2 1 222.376 2.251 20 0 BEADMP C[N@@H+](CCCCc1ccccc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578466432 985101646 /nfs/dbraw/zinc/10/16/46/985101646.db2.gz LUDHIKBLSNQVEO-ZSHCYNCHSA-N 2 1 244.382 2.159 20 0 BEADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCCSC2)CC1 ZINC001257677495 985250433 /nfs/dbraw/zinc/25/04/33/985250433.db2.gz ZYEBCOVHUQQWLO-CYBMUJFWSA-N 2 1 242.432 2.298 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCCSC2)CC1 ZINC001257677495 985250452 /nfs/dbraw/zinc/25/04/52/985250452.db2.gz ZYEBCOVHUQQWLO-CYBMUJFWSA-N 2 1 242.432 2.298 20 0 BEADMP COC1(C[N@H+](C)[C@@H](C)C[NH3+])CCCCCC1 ZINC001578926740 985520798 /nfs/dbraw/zinc/52/07/98/985520798.db2.gz MSXWKBBTUUGXIA-LBPRGKRZSA-N 2 1 228.380 2.005 20 0 BEADMP COC1(C[N@@H+](C)[C@@H](C)C[NH3+])CCCCCC1 ZINC001578926740 985520817 /nfs/dbraw/zinc/52/08/17/985520817.db2.gz MSXWKBBTUUGXIA-LBPRGKRZSA-N 2 1 228.380 2.005 20 0 BEADMP CSCC[C@H](C)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001258229119 985682373 /nfs/dbraw/zinc/68/23/73/985682373.db2.gz NANQIWODFLYHDS-LBPRGKRZSA-N 2 1 242.432 2.298 20 0 BEADMP CO[C@H]1C[C@@H]([N@H+](C)C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC001579132398 985805566 /nfs/dbraw/zinc/80/55/66/985805566.db2.gz CXQSBTSEYZEJDB-UPJWGTAASA-N 2 1 242.407 2.249 20 0 BEADMP CO[C@H]1C[C@@H]([N@@H+](C)C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC001579132398 985805573 /nfs/dbraw/zinc/80/55/73/985805573.db2.gz CXQSBTSEYZEJDB-UPJWGTAASA-N 2 1 242.407 2.249 20 0 BEADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CC[NH2+]2)cc1 ZINC001579192717 985820156 /nfs/dbraw/zinc/82/01/56/985820156.db2.gz HLRVHCRVJHMDNG-BZPMIXESSA-N 2 1 248.370 2.139 20 0 BEADMP [NH3+]C[C@H]1CCCC[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001206606787 985938481 /nfs/dbraw/zinc/93/84/81/985938481.db2.gz SKGZWBPAJLSXAK-YJNKXOJESA-N 2 1 234.387 2.259 20 0 BEADMP CC[C@@H](C)C[C@@H](CC)[NH2+]CCC[N@@H+](C)CCO ZINC001258786957 986202555 /nfs/dbraw/zinc/20/25/55/986202555.db2.gz DAZCZUFGDAPCPU-ZIAGYGMSSA-N 2 1 244.423 2.105 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](C)[C@@H]2C)CC1 ZINC001461886966 986217399 /nfs/dbraw/zinc/21/73/99/986217399.db2.gz KMHMGFYPKRRJGE-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001258807689 986265949 /nfs/dbraw/zinc/26/59/49/986265949.db2.gz JQNCSLPKMWJRKT-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CC)CCOC ZINC001258907622 986311957 /nfs/dbraw/zinc/31/19/57/986311957.db2.gz LKWNEPLGCGCMCY-AWEZNQCLSA-N 2 1 244.423 2.465 20 0 BEADMP Cc1nsc(C)c1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC001579925459 986336591 /nfs/dbraw/zinc/33/65/91/986336591.db2.gz QLTANAUUMWMKIX-UHFFFAOYSA-N 2 1 241.404 2.177 20 0 BEADMP Cc1nsc(C)c1C[N@H+](C)CC(C)(C)C[NH3+] ZINC001579925459 986336602 /nfs/dbraw/zinc/33/66/02/986336602.db2.gz QLTANAUUMWMKIX-UHFFFAOYSA-N 2 1 241.404 2.177 20 0 BEADMP Cn1cccc1[C@H]1CCC[N@H+]1CC(C)(C)C[NH3+] ZINC001579974621 986377009 /nfs/dbraw/zinc/37/70/09/986377009.db2.gz PMAXNBGIMZGSIO-CYBMUJFWSA-N 2 1 235.375 2.147 20 0 BEADMP [NH3+][C@H](C[NH2+]CC1CCCC1)CC(F)(F)F ZINC001580132923 986600818 /nfs/dbraw/zinc/60/08/18/986600818.db2.gz RTNBKRBQLMKUFJ-VIFPVBQESA-N 2 1 224.270 2.046 20 0 BEADMP CCCC[C@H](CC)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC000378661743 986610265 /nfs/dbraw/zinc/61/02/65/986610265.db2.gz BYGVETDBNLGBOU-RWMBFGLXSA-N 2 1 210.365 2.249 20 0 BEADMP CCCC(CCC)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC000378663861 986613773 /nfs/dbraw/zinc/61/37/73/986613773.db2.gz DOYURVFWNBYCDL-WCQYABFASA-N 2 1 210.365 2.249 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@H](F)CC2)CC1 ZINC001254517560 986651139 /nfs/dbraw/zinc/65/11/39/986651139.db2.gz VKZZPMXRRGCDMA-QWHCGFSZSA-N 2 1 228.355 2.295 20 0 BEADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@H](F)CC2)CC1 ZINC001254517560 986651143 /nfs/dbraw/zinc/65/11/43/986651143.db2.gz VKZZPMXRRGCDMA-QWHCGFSZSA-N 2 1 228.355 2.295 20 0 BEADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@H](F)CC2)CC1 ZINC001254517560 986651148 /nfs/dbraw/zinc/65/11/48/986651148.db2.gz VKZZPMXRRGCDMA-QWHCGFSZSA-N 2 1 228.355 2.295 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@](C)(CF)C2)CC1 ZINC001254515986 986653269 /nfs/dbraw/zinc/65/32/69/986653269.db2.gz ICGJJGDNLROAPS-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@](C)(CF)C2)CC1 ZINC001254515986 986653279 /nfs/dbraw/zinc/65/32/79/986653279.db2.gz ICGJJGDNLROAPS-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@](C)(CF)C2)CC1 ZINC001254515986 986653290 /nfs/dbraw/zinc/65/32/90/986653290.db2.gz ICGJJGDNLROAPS-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP [NH3+]C[C@@H]([NH2+]C[C@@H]1CCCCC1(F)F)C1CC1 ZINC001580228790 986654029 /nfs/dbraw/zinc/65/40/29/986654029.db2.gz FUVFFINUQLMMOA-WDEREUQCSA-N 2 1 232.318 2.139 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC001254525093 986670035 /nfs/dbraw/zinc/67/00/35/986670035.db2.gz FZKAHYKBJWAHIH-RYUDHWBXSA-N 2 1 244.329 2.202 20 0 BEADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC001254525093 986670042 /nfs/dbraw/zinc/67/00/42/986670042.db2.gz FZKAHYKBJWAHIH-RYUDHWBXSA-N 2 1 244.329 2.202 20 0 BEADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC001254525093 986670058 /nfs/dbraw/zinc/67/00/58/986670058.db2.gz FZKAHYKBJWAHIH-RYUDHWBXSA-N 2 1 244.329 2.202 20 0 BEADMP C[N@@H+](CC1CC(F)(F)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000383152447 986785461 /nfs/dbraw/zinc/78/54/61/986785461.db2.gz MEWVWSBHTLQNSH-FOSCPWQOSA-N 2 1 244.329 2.247 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H]2c2ccc(F)cc2)C1 ZINC001580419068 986838503 /nfs/dbraw/zinc/83/85/03/986838503.db2.gz RKPGJGIHXBLNNE-DDTOSNHZSA-N 2 1 234.318 2.310 20 0 BEADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000691657806 987288594 /nfs/dbraw/zinc/28/85/94/987288594.db2.gz AIGBDFCZIYVSAN-CVSAEHQPSA-N 2 1 236.403 2.483 20 0 BEADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000697037163 987346269 /nfs/dbraw/zinc/34/62/69/987346269.db2.gz OBGWUAAIFFDMND-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000697052268 987348640 /nfs/dbraw/zinc/34/86/40/987348640.db2.gz MKKSDCIUTCTBJR-ZIAGYGMSSA-N 2 1 224.392 2.354 20 0 BEADMP CCCCC[C@H](O)C[N@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001246067851 987355685 /nfs/dbraw/zinc/35/56/85/987355685.db2.gz VGKKOGDIYIINPO-UONOGXRCSA-N 2 1 242.407 2.002 20 0 BEADMP CCCCC[C@H](O)C[N@@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001246067851 987355689 /nfs/dbraw/zinc/35/56/89/987355689.db2.gz VGKKOGDIYIINPO-UONOGXRCSA-N 2 1 242.407 2.002 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C[C@H]1C ZINC001246095434 987406308 /nfs/dbraw/zinc/40/63/08/987406308.db2.gz IODWOOKTZVVCNE-KSTCHIGDSA-N 2 1 224.392 2.399 20 0 BEADMP CCc1ccc(C[C@@H](C)[NH2+][C@H]2C[NH2+]C[C@@H]2C)cc1 ZINC001246118409 987462728 /nfs/dbraw/zinc/46/27/28/987462728.db2.gz XPFSYZCKQBNYEI-ZENOOKHLSA-N 2 1 246.398 2.378 20 0 BEADMP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246132100 987485535 /nfs/dbraw/zinc/48/55/35/987485535.db2.gz KWXWBSHNEZVCAJ-BXUZGUMPSA-N 2 1 248.345 2.098 20 0 BEADMP CCCCC[C@@H](CC)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246133006 987487292 /nfs/dbraw/zinc/48/72/92/987487292.db2.gz HJRPPYGSWWLJNJ-XQQFMLRXSA-N 2 1 210.365 2.297 20 0 BEADMP C1[C@H]2C[NH2+]C[C@@]12[NH2+]C1CCC2(CCCC2)CC1 ZINC001246151074 987512461 /nfs/dbraw/zinc/51/24/61/987512461.db2.gz VTPDTANEYOISMH-WFASDCNBSA-N 2 1 234.387 2.441 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCC2CCCCC2)C[NH2+]1 ZINC001246177765 987549370 /nfs/dbraw/zinc/54/93/70/987549370.db2.gz JUMSCYGFFJYKFD-DGCLKSJQSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@]1([NH2+]C2CCCCCC2)CCC[NH2+]C1 ZINC001246190209 987582289 /nfs/dbraw/zinc/58/22/89/987582289.db2.gz QCHCZHPHFBHQRV-ZDUSSCGKSA-N 2 1 210.365 2.441 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)CCO1 ZINC001116465768 987592549 /nfs/dbraw/zinc/59/25/49/987592549.db2.gz XDKLSDWOSHDNKO-SYQHCUMBSA-N 2 1 240.391 2.016 20 0 BEADMP Fc1ccc(CCCN[C@H]2CCC[NH2+]C2)cc1 ZINC001246207741 987602905 /nfs/dbraw/zinc/60/29/05/987602905.db2.gz YKUYLLABTKWOPF-AWEZNQCLSA-N 2 1 236.334 2.100 20 0 BEADMP Fc1ccc(CCC[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001246207741 987602908 /nfs/dbraw/zinc/60/29/08/987602908.db2.gz YKUYLLABTKWOPF-AWEZNQCLSA-N 2 1 236.334 2.100 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c(F)c1 ZINC001246229570 987624457 /nfs/dbraw/zinc/62/44/57/987624457.db2.gz DJRYTQIPPNGYOA-DGCLKSJQSA-N 2 1 236.334 2.364 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)C[NH2+]1 ZINC001246228869 987626280 /nfs/dbraw/zinc/62/62/80/987626280.db2.gz GYCLRYSFJHDAOT-QMVSFRDZSA-N 2 1 222.376 2.295 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccccn1 ZINC001246240607 987641474 /nfs/dbraw/zinc/64/14/74/987641474.db2.gz QYSKABQBKWTTAO-UPJWGTAASA-N 2 1 233.359 2.263 20 0 BEADMP CC[NH+]1CCC(C[N@@H+](C)C2CCC2)CC1 ZINC001474355256 987695274 /nfs/dbraw/zinc/69/52/74/987695274.db2.gz KICPTTWRQGDPPI-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP CC[NH+]1CCC(C[N@@H+]2CC=C(C)CC2)CC1 ZINC001474370264 987702983 /nfs/dbraw/zinc/70/29/83/987702983.db2.gz RCBSGNDUPAMPTR-UHFFFAOYSA-N 2 1 222.376 2.370 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCC[C@H](C)C1 ZINC001246328284 987734259 /nfs/dbraw/zinc/73/42/59/987734259.db2.gz WXXBJANRIDGYFV-RNJOBUHISA-N 2 1 210.365 2.295 20 0 BEADMP CC[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC001246329691 987734364 /nfs/dbraw/zinc/73/43/64/987734364.db2.gz RNZYWZBMPAJHOP-YVECIDJPSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@H]1CC([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C[C@H](C)C1 ZINC001246331269 987739307 /nfs/dbraw/zinc/73/93/07/987739307.db2.gz NUFNGLGMBXHAMO-NMKXLXIOSA-N 2 1 224.392 2.399 20 0 BEADMP CC1(C)[C@@H]2C[C@H]([NH2+][C@H]3C[NH2+]CCC3(C)C)C[C@@H]21 ZINC001246333590 987740992 /nfs/dbraw/zinc/74/09/92/987740992.db2.gz WCCUEVFFJPQHAV-RNJOBUHISA-N 2 1 236.403 2.399 20 0 BEADMP c1ccc(CCCC[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001246338100 987742275 /nfs/dbraw/zinc/74/22/75/987742275.db2.gz AALRNXNUUPOTDA-HNNXBMFYSA-N 2 1 232.371 2.351 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]C2(C)Cc3ccccc3C2)C[NH2+]1 ZINC001246347175 987756151 /nfs/dbraw/zinc/75/61/51/987756151.db2.gz GHSYVXMCSFIKRX-SWLSCSKDSA-N 2 1 244.382 2.274 20 0 BEADMP C[C@H](Cc1cccc(O)c1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246352490 987762201 /nfs/dbraw/zinc/76/22/01/987762201.db2.gz PBHPQRYOXWBFBX-BZPMIXESSA-N 2 1 248.370 2.053 20 0 BEADMP C[C@H](Cc1cccc(O)c1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246352490 987762203 /nfs/dbraw/zinc/76/22/03/987762203.db2.gz PBHPQRYOXWBFBX-BZPMIXESSA-N 2 1 248.370 2.053 20 0 BEADMP Fc1cccc2c1CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC001246360984 987769293 /nfs/dbraw/zinc/76/92/93/987769293.db2.gz YGWUVGNTVWOQNO-QWHCGFSZSA-N 2 1 248.345 2.025 20 0 BEADMP CCCC[C@@H](CC)[NH2+]C[C@H]1C[NH2+]CC(C)(C)O1 ZINC001246411407 987790565 /nfs/dbraw/zinc/79/05/65/987790565.db2.gz DDXFMKJKLHMKAB-CHWSQXEVSA-N 2 1 242.407 2.312 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]CC2(CC3CC3)CC2)C[NH2+]1 ZINC001246429661 987795470 /nfs/dbraw/zinc/79/54/70/987795470.db2.gz CGQMDKXYECRAEE-AAEUAGOBSA-N 2 1 222.376 2.297 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C(C)(C)Cc2cccnc2)C[NH2+]1 ZINC001246445293 987801748 /nfs/dbraw/zinc/80/17/48/987801748.db2.gz DXEWYSNSROJZJW-TZMCWYRMSA-N 2 1 247.386 2.133 20 0 BEADMP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001117743573 987884646 /nfs/dbraw/zinc/88/46/46/987884646.db2.gz IPCYXEWIBQDCJM-NDBYEHHHSA-N 2 1 242.432 2.200 20 0 BEADMP C[C@]1([NH3+])CC[N@H+](C2CC(C)(C)OC(C)(C)C2)C1 ZINC001246532816 987889510 /nfs/dbraw/zinc/88/95/10/987889510.db2.gz YJNKFDHINZWTKE-AWEZNQCLSA-N 2 1 240.391 2.146 20 0 BEADMP C[C@H]1C[C@H]([N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)C[C@@H](C)C1 ZINC001246535369 987893564 /nfs/dbraw/zinc/89/35/64/987893564.db2.gz YEKBGQHLAMIXDE-MROQNXINSA-N 2 1 222.376 2.234 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]([NH3+])C3(CC3)C2)C[C@@H](C)C1 ZINC001246535369 987893568 /nfs/dbraw/zinc/89/35/68/987893568.db2.gz YEKBGQHLAMIXDE-MROQNXINSA-N 2 1 222.376 2.234 20 0 BEADMP CCCC[C@H](CCC)[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC001246536318 987894609 /nfs/dbraw/zinc/89/46/09/987894609.db2.gz ULRNRQAORQYOND-UONOGXRCSA-N 2 1 242.407 2.395 20 0 BEADMP CC(C)OCC[C@H](C)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246538415 987897066 /nfs/dbraw/zinc/89/70/66/987897066.db2.gz BVMVTEZYKXIRQR-STQMWFEESA-N 2 1 228.380 2.003 20 0 BEADMP C[C@H]1C[N@H+]([C@@H]2CC[C@@H](C)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC001246541668 987913168 /nfs/dbraw/zinc/91/31/68/987913168.db2.gz MNKURBWAUIAWSS-MBJXGIAVSA-N 2 1 224.392 2.338 20 0 BEADMP CC(C)CC[C@@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246542979 987913712 /nfs/dbraw/zinc/91/37/12/987913712.db2.gz QOQCBHPDWUPNRH-YNEHKIRRSA-N 2 1 212.381 2.338 20 0 BEADMP CCCC[C@@H](CC)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246545129 987920433 /nfs/dbraw/zinc/92/04/33/987920433.db2.gz TYZFCTJJCOJLSZ-KGLIPLIRSA-N 2 1 242.407 2.131 20 0 BEADMP CCCC[C@@H](CC)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246545133 987921804 /nfs/dbraw/zinc/92/18/04/987921804.db2.gz TYZFCTJJCOJLSZ-ZIAGYGMSSA-N 2 1 242.407 2.131 20 0 BEADMP C[C@H](Cc1ccco1)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246547898 987928900 /nfs/dbraw/zinc/92/89/00/987928900.db2.gz CZWUYTFNVDVXFN-OCCSQVGLSA-N 2 1 236.359 2.414 20 0 BEADMP Cc1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@H]([NH3+])[C@H]1C)CC2 ZINC001246546108 987929030 /nfs/dbraw/zinc/92/90/30/987929030.db2.gz YGKRPQSEBQNIFO-UHOFOFEASA-N 2 1 244.382 2.274 20 0 BEADMP C[C@H](CC(F)(F)F)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246548209 987933330 /nfs/dbraw/zinc/93/33/30/987933330.db2.gz SUJLEHKQVXJYME-RKDXNWHRSA-N 2 1 224.270 2.141 20 0 BEADMP C[C@H](Cc1ccncc1)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246548388 987937677 /nfs/dbraw/zinc/93/76/77/987937677.db2.gz GKXQUCGGILPRRI-UKRRQHHQSA-N 2 1 247.386 2.216 20 0 BEADMP C[C@@]1([NH3+])CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC001246551059 987942290 /nfs/dbraw/zinc/94/22/90/987942290.db2.gz KISMRTZLDQLAPN-MRXNPFEDSA-N 2 1 244.382 2.357 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001246549970 987942562 /nfs/dbraw/zinc/94/25/62/987942562.db2.gz LAQBWAJWQVJKGT-YIYPIFLZSA-N 2 1 236.403 2.352 20 0 BEADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@H]2CCCSC2)CC1 ZINC001246551065 987942937 /nfs/dbraw/zinc/94/29/37/987942937.db2.gz OUDAKWATTAVEMW-RYUDHWBXSA-N 2 1 246.395 2.035 20 0 BEADMP CSCC[C@H](C)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246552936 987950284 /nfs/dbraw/zinc/95/02/84/987950284.db2.gz QDXBDAMEBHOKGZ-NWDGAFQWSA-N 2 1 230.421 2.331 20 0 BEADMP CC1(C)C[C@@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CCO1 ZINC001246552073 987952631 /nfs/dbraw/zinc/95/26/31/987952631.db2.gz NRBVZNCPKHXICI-JSGCOSHPSA-N 2 1 240.391 2.147 20 0 BEADMP CSCC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246555387 987965095 /nfs/dbraw/zinc/96/50/95/987965095.db2.gz DVSIYTSHRDEUAG-AGIUHOORSA-N 2 1 244.448 2.435 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC001117953794 987966526 /nfs/dbraw/zinc/96/65/26/987966526.db2.gz PYZMOZPPFROYHI-MRVPVSSYSA-N 2 1 246.276 2.192 20 0 BEADMP C[C@H]1CC[N@H+](C2CCSCC2)CC[C@@H]1C[NH3+] ZINC001246557249 987977061 /nfs/dbraw/zinc/97/70/61/987977061.db2.gz KFXFTQMWIMDWRS-NWDGAFQWSA-N 2 1 242.432 2.189 20 0 BEADMP CCCCC[C@H](CCC)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246558718 987982693 /nfs/dbraw/zinc/98/26/93/987982693.db2.gz MPTLRZDIUDNXCD-BFHYXJOUSA-N 2 1 242.407 2.129 20 0 BEADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1C[NH3+] ZINC001246561418 987991025 /nfs/dbraw/zinc/99/10/25/987991025.db2.gz SLTVLHYHBFMFMJ-XGFWRYKXSA-N 2 1 222.376 2.092 20 0 BEADMP C[C@@H](CC1CC1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246563699 988003507 /nfs/dbraw/zinc/00/35/07/988003507.db2.gz XNYZMGKPMNROIE-MBNYWOFBSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H]1CC[N@H+]([C@H]2CCCSC2)CC[C@@H]1C[NH3+] ZINC001246564773 988018277 /nfs/dbraw/zinc/01/82/77/988018277.db2.gz ZVISTNWUKMFYAQ-UPJWGTAASA-N 2 1 242.432 2.189 20 0 BEADMP CC(C)CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246565361 988021210 /nfs/dbraw/zinc/02/12/10/988021210.db2.gz CLHOWJJINWMKNQ-JHJVBQTASA-N 2 1 212.381 2.480 20 0 BEADMP CCCOC1CCC([N@H+]2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC001246566645 988025351 /nfs/dbraw/zinc/02/53/51/988025351.db2.gz IGKFGQCARLDCHY-BLYZHGLHSA-N 2 1 240.391 2.003 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@H]1CCCOc2ccccc21 ZINC001118122038 988029288 /nfs/dbraw/zinc/02/92/88/988029288.db2.gz NBTYWEAXLLFZJE-OCCSQVGLSA-N 2 1 248.370 2.488 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)C1 ZINC001246567931 988030978 /nfs/dbraw/zinc/03/09/78/988030978.db2.gz NELLSDZIAPVAML-RQJABVFESA-N 2 1 224.392 2.482 20 0 BEADMP C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1(F)F ZINC001246567668 988031040 /nfs/dbraw/zinc/03/10/40/988031040.db2.gz XJRKDIFYXKAAQR-WSMDXJOWSA-N 2 1 244.329 2.247 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](C2CCC3(CC3)CC2)CC[C@H]1F ZINC001246568607 988045851 /nfs/dbraw/zinc/04/58/51/988045851.db2.gz ANBLHAHKRISXII-CHWSQXEVSA-N 2 1 240.366 2.470 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](C2CCC3(CC3)CC2)CC[C@H]1F ZINC001246568607 988045868 /nfs/dbraw/zinc/04/58/68/988045868.db2.gz ANBLHAHKRISXII-CHWSQXEVSA-N 2 1 240.366 2.470 20 0 BEADMP C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@](F)(C[NH3+])C2)C1 ZINC001246572731 988060484 /nfs/dbraw/zinc/06/04/84/988060484.db2.gz BAIOFEQMWCIJHW-UPJWGTAASA-N 2 1 228.355 2.328 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@](F)(C[NH3+])C2)C1 ZINC001246572731 988060500 /nfs/dbraw/zinc/06/05/00/988060500.db2.gz BAIOFEQMWCIJHW-UPJWGTAASA-N 2 1 228.355 2.328 20 0 BEADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@@H](C)[C@H](C)C1 ZINC001246572967 988070848 /nfs/dbraw/zinc/07/08/48/988070848.db2.gz LNHDZFKQQNZENQ-UPJWGTAASA-N 2 1 212.381 2.352 20 0 BEADMP CCCCCC[C@H](CC)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246573690 988073012 /nfs/dbraw/zinc/07/30/12/988073012.db2.gz ZBXNORFYAXWRAS-BFHYXJOUSA-N 2 1 242.407 2.129 20 0 BEADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CCO1 ZINC001246579848 988104850 /nfs/dbraw/zinc/10/48/50/988104850.db2.gz LTSHHWBNKMLITL-MELADBBJSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@@](C)(C[NH3+])C2)CCO1 ZINC001246585584 988131921 /nfs/dbraw/zinc/13/19/21/988131921.db2.gz PIEDEAYFKWHYIY-MCIONIFRSA-N 2 1 240.391 2.005 20 0 BEADMP CCCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246585409 988132553 /nfs/dbraw/zinc/13/25/53/988132553.db2.gz KHALVSDSMUOPPU-QJPTWQEYSA-N 2 1 216.344 2.326 20 0 BEADMP CCCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246585409 988132556 /nfs/dbraw/zinc/13/25/56/988132556.db2.gz KHALVSDSMUOPPU-QJPTWQEYSA-N 2 1 216.344 2.326 20 0 BEADMP C[C@@H]1CCC[C@H]([N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)C1 ZINC001246589507 988155994 /nfs/dbraw/zinc/15/59/94/988155994.db2.gz SFWYWCVMCRFTGR-VOAKCMCISA-N 2 1 228.355 2.326 20 0 BEADMP C[C@@H]1CCC[C@H]([N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)C1 ZINC001246589507 988156004 /nfs/dbraw/zinc/15/60/04/988156004.db2.gz SFWYWCVMCRFTGR-VOAKCMCISA-N 2 1 228.355 2.326 20 0 BEADMP C[C@@H](Cc1ccncc1)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246590582 988165140 /nfs/dbraw/zinc/16/51/40/988165140.db2.gz HHTRHMIAFNEUCN-DZGCQCFKSA-N 2 1 247.386 2.073 20 0 BEADMP CC1(C)C[N@H+](C2CC[NH2+]CC2)CCC1(F)F ZINC001246599940 988207187 /nfs/dbraw/zinc/20/71/87/988207187.db2.gz QDJAHQXXPHDUDB-UHFFFAOYSA-N 2 1 232.318 2.106 20 0 BEADMP C[C@H](Cc1ccco1)[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246613489 988236317 /nfs/dbraw/zinc/23/63/17/988236317.db2.gz ZUEOPADQWIQNIJ-UKRRQHHQSA-N 2 1 248.370 2.429 20 0 BEADMP C[C@H](Cc1ccco1)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246613489 988236324 /nfs/dbraw/zinc/23/63/24/988236324.db2.gz ZUEOPADQWIQNIJ-UKRRQHHQSA-N 2 1 248.370 2.429 20 0 BEADMP CSCC[C@H](C)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246609749 988238076 /nfs/dbraw/zinc/23/80/76/988238076.db2.gz NAGCSMWTWLXONL-STQMWFEESA-N 2 1 242.432 2.346 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)C[C@H]1C ZINC001246617540 988252879 /nfs/dbraw/zinc/25/28/79/988252879.db2.gz DBILPCBQUSZUSJ-UXXRCYHCSA-N 2 1 236.403 2.495 20 0 BEADMP CCCCC[C@H](CC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246628084 988288585 /nfs/dbraw/zinc/28/85/85/988288585.db2.gz WVPQFPZHIMULPB-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)CCC[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246628166 988297713 /nfs/dbraw/zinc/29/77/13/988297713.db2.gz XUWRHDFHZITTDJ-MELADBBJSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1CCC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246629654 988310231 /nfs/dbraw/zinc/31/02/31/988310231.db2.gz FQPZPGIEUVFHPP-MROQNXINSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@H]1CCC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246629659 988310672 /nfs/dbraw/zinc/31/06/72/988310672.db2.gz FQPZPGIEUVFHPP-ZDEQEGDKSA-N 2 1 208.349 2.001 20 0 BEADMP CCCCC[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246640346 988338102 /nfs/dbraw/zinc/33/81/02/988338102.db2.gz SOXZOOXOMPSSCJ-YNEHKIRRSA-N 2 1 210.365 2.391 20 0 BEADMP CCCCC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246640346 988338117 /nfs/dbraw/zinc/33/81/17/988338117.db2.gz SOXZOOXOMPSSCJ-YNEHKIRRSA-N 2 1 210.365 2.391 20 0 BEADMP CCCCC[C@@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246640344 988340785 /nfs/dbraw/zinc/34/07/85/988340785.db2.gz SOXZOOXOMPSSCJ-JHJVBQTASA-N 2 1 210.365 2.391 20 0 BEADMP CCCCC[C@@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246640344 988340795 /nfs/dbraw/zinc/34/07/95/988340795.db2.gz SOXZOOXOMPSSCJ-JHJVBQTASA-N 2 1 210.365 2.391 20 0 BEADMP CC[C@H](C)C[C@H](CC)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246643811 988353672 /nfs/dbraw/zinc/35/36/72/988353672.db2.gz DJBDXGRZCKIJRS-XDQVBPFNSA-N 2 1 224.392 2.495 20 0 BEADMP CCc1ccc(C[C@@H](C)[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001246644101 988355641 /nfs/dbraw/zinc/35/56/41/988355641.db2.gz JJNZLDBIXACQQN-KCXAZCMYSA-N 2 1 244.382 2.213 20 0 BEADMP CCc1ccc(C[C@@H](C)[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001246644101 988355657 /nfs/dbraw/zinc/35/56/57/988355657.db2.gz JJNZLDBIXACQQN-KCXAZCMYSA-N 2 1 244.382 2.213 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]32)C[C@H]1C ZINC001246644884 988359485 /nfs/dbraw/zinc/35/94/85/988359485.db2.gz JKVJDJFCXRXNMX-RKQHYHRCSA-N 2 1 222.376 2.105 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@]23CC[NH2+]C3)C1 ZINC001246645843 988363275 /nfs/dbraw/zinc/36/32/75/988363275.db2.gz WOLCXFBLDDNIMY-HZSPNIEDSA-N 2 1 222.376 2.393 20 0 BEADMP CC(C)C1CCC([N@H+]2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246647317 988363966 /nfs/dbraw/zinc/36/39/66/988363966.db2.gz RTOCSCHNLSIEBI-OOJKYFRXSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C[C@@H]1C ZINC001246647142 988364677 /nfs/dbraw/zinc/36/46/77/988364677.db2.gz ZEYVORMFGNMNBC-IKOXMDCHSA-N 2 1 222.376 2.247 20 0 BEADMP CCC[C@@H](Cc1ccccc1)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246653854 988379835 /nfs/dbraw/zinc/37/98/35/988379835.db2.gz AOGLKUOMMWXMKW-CAOSSQGBSA-N 2 1 244.382 2.287 20 0 BEADMP C1C[C@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]2C1 ZINC001246656411 988382855 /nfs/dbraw/zinc/38/28/55/988382855.db2.gz NQHUFJDJNMNKQS-DRWKLNATSA-N 2 1 234.387 2.391 20 0 BEADMP C1C[C@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]2C1 ZINC001246656411 988382863 /nfs/dbraw/zinc/38/28/63/988382863.db2.gz NQHUFJDJNMNKQS-DRWKLNATSA-N 2 1 234.387 2.391 20 0 BEADMP CCCC1CCC([N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC001246659111 988384092 /nfs/dbraw/zinc/38/40/92/988384092.db2.gz RBIBDJYQZYOJOD-TWASESMYSA-N 2 1 222.376 2.234 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3CCC[C@H]3C2)C[NH2+]1 ZINC001246655752 988387422 /nfs/dbraw/zinc/38/74/22/988387422.db2.gz KPWDWZPXUFMISZ-MQYQWHSLSA-N 2 1 222.376 2.249 20 0 BEADMP CCCC[C@@H](CCC)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246661463 988400977 /nfs/dbraw/zinc/40/09/77/988400977.db2.gz XRVVYGXYMYXATN-NDBYEHHHSA-N 2 1 210.365 2.234 20 0 BEADMP CCC[C@H](C)CC[C@@H](C)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246665974 988403538 /nfs/dbraw/zinc/40/35/38/988403538.db2.gz VOMDTPRPHJXJAN-VJTDZRGJSA-N 2 1 224.392 2.480 20 0 BEADMP CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246665556 988405234 /nfs/dbraw/zinc/40/52/34/988405234.db2.gz QOEXGGLBJOXHEE-RFQIPJPRSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246665556 988405243 /nfs/dbraw/zinc/40/52/43/988405243.db2.gz QOEXGGLBJOXHEE-RFQIPJPRSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)CCC[C@H](C)[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001246669873 988410426 /nfs/dbraw/zinc/41/04/26/988410426.db2.gz CFOHPPNMUVQRHY-BFHYXJOUSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3C[NH2+]CC[C@@H]32)CC(C)(C)C1 ZINC001246672749 988414780 /nfs/dbraw/zinc/41/47/80/988414780.db2.gz LGJIRXWEVMKIAM-MQYQWHSLSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H]2c2ccccn2)CC[NH2+]1 ZINC001246786830 988466892 /nfs/dbraw/zinc/46/68/92/988466892.db2.gz AIIFANYEGHNOCQ-NFAWXSAZSA-N 2 1 245.370 2.359 20 0 BEADMP CC(C)CC[C@H](C)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246792891 988467653 /nfs/dbraw/zinc/46/76/53/988467653.db2.gz RXNBDZDMGAVEAG-ZDUSSCGKSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C)[C@H]2C)CC[NH2+]1 ZINC001246786925 988470294 /nfs/dbraw/zinc/47/02/94/988470294.db2.gz BFFRSWMZRDXURF-LPWJVIDDSA-N 2 1 210.365 2.247 20 0 BEADMP FC(F)[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246805221 988483194 /nfs/dbraw/zinc/48/31/94/988483194.db2.gz CGAMJUBQZXBNHO-YIBTVLSRSA-N 2 1 244.329 2.247 20 0 BEADMP FC1(F)C[C@@]12CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246804721 988486125 /nfs/dbraw/zinc/48/61/25/988486125.db2.gz BPLFEVOMMVCCQM-AYLPWXGPSA-N 2 1 242.313 2.001 20 0 BEADMP C[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)[C@@H](C)C1 ZINC001246811410 988498242 /nfs/dbraw/zinc/49/82/42/988498242.db2.gz VELJTGIBRWVDFS-NDBYEHHHSA-N 2 1 210.365 2.247 20 0 BEADMP CCCCC(CCCC)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001246822901 988507354 /nfs/dbraw/zinc/50/73/54/988507354.db2.gz BYJYRVKZXXYQHK-AWEZNQCLSA-N 2 1 242.407 2.395 20 0 BEADMP CC(C)CC[C@H](C)[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001246842682 988550737 /nfs/dbraw/zinc/55/07/37/988550737.db2.gz DAGDJKVRDDUYOU-BFHYXJOUSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CC2(C)C)CC[NH2+]1 ZINC001246846179 988555208 /nfs/dbraw/zinc/55/52/08/988555208.db2.gz NDDBSKYPKCPMMD-IJLUTSLNSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@H]1C[C@@H]([N@@H+]2CCCCC23CC3)CC[NH2+]1 ZINC001246845111 988559242 /nfs/dbraw/zinc/55/92/42/988559242.db2.gz KSDVLFYGGKZTOB-RYUDHWBXSA-N 2 1 208.349 2.145 20 0 BEADMP C[C@H]1C[C@@H]([N@H+]2CCCCC23CC3)CC[NH2+]1 ZINC001246845111 988559257 /nfs/dbraw/zinc/55/92/57/988559257.db2.gz KSDVLFYGGKZTOB-RYUDHWBXSA-N 2 1 208.349 2.145 20 0 BEADMP C[C@H]1CC[C@@H]([N@@H+]2CCCCC23CC3)C[NH2+]1 ZINC001246844631 988559503 /nfs/dbraw/zinc/55/95/03/988559503.db2.gz JVFSXIHXRQAKFT-NWDGAFQWSA-N 2 1 208.349 2.145 20 0 BEADMP C[C@H]1CC[C@@H]([N@H+]2CCCCC23CC3)C[NH2+]1 ZINC001246844631 988559515 /nfs/dbraw/zinc/55/95/15/988559515.db2.gz JVFSXIHXRQAKFT-NWDGAFQWSA-N 2 1 208.349 2.145 20 0 BEADMP CC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246851720 988570932 /nfs/dbraw/zinc/57/09/32/988570932.db2.gz GSXIIWDIUCXZFA-BZUAXINKSA-N 2 1 244.382 2.431 20 0 BEADMP CCCCC[C@H](C)[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246857568 988586271 /nfs/dbraw/zinc/58/62/71/988586271.db2.gz AZWHTYFKLVCCOG-XQQFMLRXSA-N 2 1 210.365 2.378 20 0 BEADMP CC(C)CC[C@H](C)[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246862127 988597776 /nfs/dbraw/zinc/59/77/76/988597776.db2.gz QBMRWEPKEWYPEA-XQQFMLRXSA-N 2 1 210.365 2.234 20 0 BEADMP CCCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246867042 988621472 /nfs/dbraw/zinc/62/14/72/988621472.db2.gz MZVDKJSAULNGEA-AVGNSLFASA-N 2 1 210.365 2.249 20 0 BEADMP CCCC[C@H](CCC)[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246868059 988625354 /nfs/dbraw/zinc/62/53/54/988625354.db2.gz JUKKLXPNJQQMSO-FRRDWIJNSA-N 2 1 210.365 2.378 20 0 BEADMP CCCC[C@H](CCC)[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246868059 988625371 /nfs/dbraw/zinc/62/53/71/988625371.db2.gz JUKKLXPNJQQMSO-FRRDWIJNSA-N 2 1 210.365 2.378 20 0 BEADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3C[C@H]4CC[C@@H](C3)[NH2+]C4)C[C@@H]21 ZINC001246870719 988633196 /nfs/dbraw/zinc/63/31/96/988633196.db2.gz ZHROHIUXLPRHGH-HTVCTNPSSA-N 2 1 234.387 2.105 20 0 BEADMP CC(C)CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001246877353 988644976 /nfs/dbraw/zinc/64/49/76/988644976.db2.gz CLHOWJJINWMKNQ-UPJWGTAASA-N 2 1 212.381 2.480 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccncc2)CC1(C)C ZINC001118856470 988654456 /nfs/dbraw/zinc/65/44/56/988654456.db2.gz XHPOPQOIXNODNA-CQSZACIVSA-N 2 1 247.386 2.087 20 0 BEADMP C[C@@H]1C[N@@H+]([C@H]2CC[NH2+][C@@H](C)C2)C2(CC2)C1 ZINC001246895957 988670277 /nfs/dbraw/zinc/67/02/77/988670277.db2.gz RKWFQJWLQWPNCK-SRVKXCTJSA-N 2 1 208.349 2.001 20 0 BEADMP NC[C@H]1CCC[N@H+]1[C@@H]1CCc2cc(F)ccc2C1 ZINC001246907669 988690452 /nfs/dbraw/zinc/69/04/52/988690452.db2.gz HFPXDZHPJFQWAY-HUUCEWRRSA-N 2 1 248.345 2.106 20 0 BEADMP [NH3+]C[C@H]1CCC[N@H+]1[C@@H]1CCc2cc(F)ccc2C1 ZINC001246907669 988690473 /nfs/dbraw/zinc/69/04/73/988690473.db2.gz HFPXDZHPJFQWAY-HUUCEWRRSA-N 2 1 248.345 2.106 20 0 BEADMP CC(C)C1CCC([N@@H+]2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001246921246 988731165 /nfs/dbraw/zinc/73/11/65/988731165.db2.gz RTPVMOCXZQQQOW-GNRIBBGQSA-N 2 1 222.376 2.105 20 0 BEADMP CC(C)C1CCC([N@H+]2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001246921246 988731183 /nfs/dbraw/zinc/73/11/83/988731183.db2.gz RTPVMOCXZQQQOW-GNRIBBGQSA-N 2 1 222.376 2.105 20 0 BEADMP CC1(C)[C@@H]2C[C@H]([N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)C[C@@H]21 ZINC001246931028 988761574 /nfs/dbraw/zinc/76/15/74/988761574.db2.gz MMZMMYVFDCFOMQ-SBAKFKMJSA-N 2 1 248.414 2.352 20 0 BEADMP C[C@H](CC1CC1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246930505 988763373 /nfs/dbraw/zinc/76/33/73/988763373.db2.gz JSQIQHIYWSYDFS-BNOWGMLFSA-N 2 1 222.376 2.106 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C(C)(C)OC)C1 ZINC001324240027 988766742 /nfs/dbraw/zinc/76/67/42/988766742.db2.gz QDNZPDFRQUSFLU-OLZOCXBDSA-N 2 1 242.407 2.121 20 0 BEADMP CCC(CC)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246936796 988768264 /nfs/dbraw/zinc/76/82/64/988768264.db2.gz XQTXPUFMAJXRAM-TXEJJXNPSA-N 2 1 210.365 2.106 20 0 BEADMP CCCC(CCC)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246947232 988778848 /nfs/dbraw/zinc/77/88/48/988778848.db2.gz KANSRRQPPQMSLH-ITGUQSILSA-N 2 1 210.365 2.105 20 0 BEADMP CSC(C)(C)C[C@H](C)[N@@H+](C)C[C@H](C)[NH3+] ZINC001246981887 988811143 /nfs/dbraw/zinc/81/11/43/988811143.db2.gz SWGDVIBLYKSODZ-UWVGGRQHSA-N 2 1 218.410 2.186 20 0 BEADMP CCCCC[C@H](CC)[N@@H+]1C[C@@H](OC)[C@@H](N)C1 ZINC001246982962 988815978 /nfs/dbraw/zinc/81/59/78/988815978.db2.gz LGMIVICJYIOBIK-RWMBFGLXSA-N 2 1 228.380 2.003 20 0 BEADMP CCCCC[C@H](CC)N1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982962 988815983 /nfs/dbraw/zinc/81/59/83/988815983.db2.gz LGMIVICJYIOBIK-RWMBFGLXSA-N 2 1 228.380 2.003 20 0 BEADMP C[C@H](CC1CC1)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247014148 988841492 /nfs/dbraw/zinc/84/14/92/988841492.db2.gz JECWANFUBCDOPW-BNOWGMLFSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@H](CC1CC1)[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247014148 988841493 /nfs/dbraw/zinc/84/14/93/988841493.db2.gz JECWANFUBCDOPW-BNOWGMLFSA-N 2 1 222.376 2.249 20 0 BEADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC001119243377 988859764 /nfs/dbraw/zinc/85/97/64/988859764.db2.gz QFWXTDMEIIZABJ-XLWJZTARSA-N 2 1 236.403 2.495 20 0 BEADMP CC(C)([NH3+])C[NH2+]Cc1ccccc1N1CCCC1 ZINC001325610800 989208496 /nfs/dbraw/zinc/20/84/96/989208496.db2.gz OMWQWIJZWHBYQO-UHFFFAOYSA-N 2 1 247.386 2.114 20 0 BEADMP [NH3+]C[C@H]([NH2+]Cc1ccc2c(c1)CCC2)C1CC1 ZINC001325610432 989213273 /nfs/dbraw/zinc/21/32/73/989213273.db2.gz IVHQKRANXBCQKW-HNNXBMFYSA-N 2 1 230.355 2.002 20 0 BEADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC(C(F)F)C1 ZINC001325634072 989218440 /nfs/dbraw/zinc/21/84/40/989218440.db2.gz DFZFLYXHYGARFJ-MMVSWEMESA-N 2 1 246.345 2.493 20 0 BEADMP CC(C)=CCC[C@H](C)[NH2+]CCC[N@@H+](C)CCO ZINC001258086753 990996126 /nfs/dbraw/zinc/99/61/26/990996126.db2.gz DCVSBAQWBTXQLX-AWEZNQCLSA-N 2 1 242.407 2.025 20 0 BEADMP C[C@H](Cc1ccco1)[NH+]1CCC([NH+](C)C)CC1 ZINC001258185491 991090173 /nfs/dbraw/zinc/09/01/73/991090173.db2.gz PNPPREIANTYDCM-GFCCVEGCSA-N 2 1 236.359 2.237 20 0 BEADMP C[C@H](Cc1ccco1)[N@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001258196921 991111181 /nfs/dbraw/zinc/11/11/81/991111181.db2.gz BNTLSOYACQAMAQ-NFAWXSAZSA-N 2 1 248.370 2.237 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)[C@@H](C)Cc1ccco1 ZINC001258198798 991114784 /nfs/dbraw/zinc/11/47/84/991114784.db2.gz JRXDMZQHZKUOHR-ZDUSSCGKSA-N 2 1 238.375 2.484 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)[C@H](C)Cc1ccco1 ZINC001258198797 991117220 /nfs/dbraw/zinc/11/72/20/991117220.db2.gz JRXDMZQHZKUOHR-CYBMUJFWSA-N 2 1 238.375 2.484 20 0 BEADMP CSCC[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258226764 991162724 /nfs/dbraw/zinc/16/27/24/991162724.db2.gz RHHBGBGAQLLMOE-OLZOCXBDSA-N 2 1 242.432 2.156 20 0 BEADMP CSCC[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001258226764 991162742 /nfs/dbraw/zinc/16/27/42/991162742.db2.gz RHHBGBGAQLLMOE-OLZOCXBDSA-N 2 1 242.432 2.156 20 0 BEADMP CSCC[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001258226764 991162756 /nfs/dbraw/zinc/16/27/56/991162756.db2.gz RHHBGBGAQLLMOE-OLZOCXBDSA-N 2 1 242.432 2.156 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CC4(CCC4)C3)[C@@H]2C1 ZINC001308983731 991251561 /nfs/dbraw/zinc/25/15/61/991251561.db2.gz AVYILQVSOFLQMX-YUTCNCBUSA-N 2 1 234.387 2.249 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H](C)CC3CC3)C[C@@H]2C1 ZINC001258472885 991439928 /nfs/dbraw/zinc/43/99/28/991439928.db2.gz QCZHTPTYTNMZGW-BNOWGMLFSA-N 2 1 222.376 2.059 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)CC3CC3)C[C@@H]2C1 ZINC001258472885 991439938 /nfs/dbraw/zinc/43/99/38/991439938.db2.gz QCZHTPTYTNMZGW-BNOWGMLFSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H](CC1CC1)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001258473913 991444995 /nfs/dbraw/zinc/44/49/95/991444995.db2.gz YXYZANYMIHTELG-LBPRGKRZSA-N 2 1 222.376 2.345 20 0 BEADMP CCCC1CCC([NH2+]C2(C[NH3+])CC2)CC1 ZINC001258530048 991477711 /nfs/dbraw/zinc/47/77/11/991477711.db2.gz GDLAIIBTFQYBSB-UHFFFAOYSA-N 2 1 210.365 2.426 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001560622565 991525805 /nfs/dbraw/zinc/52/58/05/991525805.db2.gz KSRMRUOLXDYHLW-XHJNMGKDSA-N 2 1 222.376 2.105 20 0 BEADMP CC(C)[N@@H+](CCC[NH3+])[C@@H](C)Cc1cccnc1 ZINC001258613071 991536698 /nfs/dbraw/zinc/53/66/98/991536698.db2.gz LBDSTIKMJYAKFR-ZDUSSCGKSA-N 2 1 235.375 2.072 20 0 BEADMP CC(C)SCC[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC001560813850 991607650 /nfs/dbraw/zinc/60/76/50/991607650.db2.gz JGXUBXZZTIPUBU-STQMWFEESA-N 2 1 244.448 2.400 20 0 BEADMP CC(C)SCC[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC001560813850 991607652 /nfs/dbraw/zinc/60/76/52/991607652.db2.gz JGXUBXZZTIPUBU-STQMWFEESA-N 2 1 244.448 2.400 20 0 BEADMP CC(C)SCC[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC001560813850 991607653 /nfs/dbraw/zinc/60/76/53/991607653.db2.gz JGXUBXZZTIPUBU-STQMWFEESA-N 2 1 244.448 2.400 20 0 BEADMP CC(C)SCC[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001560813850 991607655 /nfs/dbraw/zinc/60/76/55/991607655.db2.gz JGXUBXZZTIPUBU-STQMWFEESA-N 2 1 244.448 2.400 20 0 BEADMP CC(C)SCC[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC001560813847 991610938 /nfs/dbraw/zinc/61/09/38/991610938.db2.gz JGXUBXZZTIPUBU-CHWSQXEVSA-N 2 1 244.448 2.400 20 0 BEADMP CC(C)SCC[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC001560813847 991610946 /nfs/dbraw/zinc/61/09/46/991610946.db2.gz JGXUBXZZTIPUBU-CHWSQXEVSA-N 2 1 244.448 2.400 20 0 BEADMP CC(C)SCC[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC001560813847 991610952 /nfs/dbraw/zinc/61/09/52/991610952.db2.gz JGXUBXZZTIPUBU-CHWSQXEVSA-N 2 1 244.448 2.400 20 0 BEADMP CC(C)SCC[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001560813847 991610963 /nfs/dbraw/zinc/61/09/63/991610963.db2.gz JGXUBXZZTIPUBU-CHWSQXEVSA-N 2 1 244.448 2.400 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12)C1CCC1 ZINC001561053066 991707435 /nfs/dbraw/zinc/70/74/35/991707435.db2.gz RYVQAQGYUXEUHI-AHLTXXRQSA-N 2 1 222.376 2.105 20 0 BEADMP CCC[NH+]1CCC([NH+]2CC(C)(C)C2)CC1 ZINC001258771776 991737770 /nfs/dbraw/zinc/73/77/70/991737770.db2.gz UGEFROGJWSWFIJ-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCOC[C@H]1C ZINC001258907280 991894334 /nfs/dbraw/zinc/89/43/34/991894334.db2.gz HKWMHHKAZLQWMS-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001258902845 991894921 /nfs/dbraw/zinc/89/49/21/991894921.db2.gz HEMQRVDPJUXSNB-ZIAGYGMSSA-N 2 1 243.439 2.024 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)CC ZINC001258907006 991896583 /nfs/dbraw/zinc/89/65/83/991896583.db2.gz CQHZEIXXUFSSML-GFCCVEGCSA-N 2 1 200.370 2.449 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001258902844 991896841 /nfs/dbraw/zinc/89/68/41/991896841.db2.gz HEMQRVDPJUXSNB-UONOGXRCSA-N 2 1 243.439 2.024 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccncc2)C1 ZINC001319691780 991942965 /nfs/dbraw/zinc/94/29/65/991942965.db2.gz VCKDOFBSUNGTAP-KGLIPLIRSA-N 2 1 247.386 2.464 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccc(C)o1 ZINC001261424484 992294838 /nfs/dbraw/zinc/29/48/38/992294838.db2.gz VTCOXRYYSCUWPY-GXSJLCMTSA-N 2 1 210.321 2.237 20 0 BEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ncccc2C)C1 ZINC001320843130 992377923 /nfs/dbraw/zinc/37/79/23/992377923.db2.gz NNTDFUYGUUBOBJ-AWEZNQCLSA-N 2 1 247.386 2.212 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ncccc2C)C1 ZINC001320843130 992377931 /nfs/dbraw/zinc/37/79/31/992377931.db2.gz NNTDFUYGUUBOBJ-AWEZNQCLSA-N 2 1 247.386 2.212 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@H]3C3CC3)[C@H]2C1 ZINC001474756470 992512975 /nfs/dbraw/zinc/51/29/75/992512975.db2.gz GSWPMXFINWBMHY-LXFSFDBISA-N 2 1 234.387 2.105 20 0 BEADMP CCC[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](CC)C1)OC ZINC001262008729 992591038 /nfs/dbraw/zinc/59/10/38/992591038.db2.gz WNCLOTQIIWJNIR-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001262161025 992720520 /nfs/dbraw/zinc/72/05/20/992720520.db2.gz WDFBESDSYNUYIU-KGLIPLIRSA-N 2 1 236.403 2.498 20 0 BEADMP C[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C[C@H]1F ZINC001262365147 992860926 /nfs/dbraw/zinc/86/09/26/992860926.db2.gz SWWBETSVDJVKFP-WCQYABFASA-N 2 1 228.355 2.008 20 0 BEADMP CC(C)(C[NH3+])[NH2+]Cc1ccc2occc2c1 ZINC001575317496 993010666 /nfs/dbraw/zinc/01/06/66/993010666.db2.gz DAZCAXUIDWDHCL-UHFFFAOYSA-N 2 1 218.300 2.260 20 0 BEADMP CC(C)=CC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001575391074 993033835 /nfs/dbraw/zinc/03/38/35/993033835.db2.gz FSEXKPCDPSQAQQ-AWEZNQCLSA-N 2 1 222.376 2.418 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+]C[C@@H]1CC=CCC1 ZINC001575543940 993069214 /nfs/dbraw/zinc/06/92/14/993069214.db2.gz DQGPPQGMGXWUGR-CHWSQXEVSA-N 2 1 210.365 2.306 20 0 BEADMP C[C@H]([NH3+])C[N@H+](C)CCCc1ccc(F)c(F)c1 ZINC001576149708 993185704 /nfs/dbraw/zinc/18/57/04/993185704.db2.gz LSJMWMZHHILIBX-JTQLQIEISA-N 2 1 242.313 2.176 20 0 BEADMP C[C@H]([NH3+])C[N@@H+](C)CCCc1ccc(F)c(F)c1 ZINC001576149708 993185709 /nfs/dbraw/zinc/18/57/09/993185709.db2.gz LSJMWMZHHILIBX-JTQLQIEISA-N 2 1 242.313 2.176 20 0 BEADMP C[C@@H]1CCC(F)(F)C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001576657663 993383389 /nfs/dbraw/zinc/38/33/89/993383389.db2.gz PWZPMEMPIWTODR-NEPJUHHUSA-N 2 1 246.345 2.496 20 0 BEADMP C[C@@H]1CCC(F)(F)C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001576657663 993383395 /nfs/dbraw/zinc/38/33/95/993383395.db2.gz PWZPMEMPIWTODR-NEPJUHHUSA-N 2 1 246.345 2.496 20 0 BEADMP C[C@H]([NH2+][C@H]1[C@H](C)CC[NH2+][C@@H]1C)C1CC(F)(F)C1 ZINC001576748364 993411558 /nfs/dbraw/zinc/41/15/58/993411558.db2.gz IYXWQLZKQZTBRC-KLBPJQLPSA-N 2 1 246.345 2.396 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC001576750616 993414425 /nfs/dbraw/zinc/41/44/25/993414425.db2.gz WCXSLATZKIFRNQ-SYQHCUMBSA-N 2 1 222.376 2.319 20 0 BEADMP C[C@H]1C[N@@H+](CCSC(C)(C)C)CC[C@@H]1C[NH3+] ZINC001576807268 993427222 /nfs/dbraw/zinc/42/72/22/993427222.db2.gz OZUNNOSCAGXQDD-NWDGAFQWSA-N 2 1 244.448 2.435 20 0 BEADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C1 ZINC001576851124 993433633 /nfs/dbraw/zinc/43/36/33/993433633.db2.gz XWJZCVPCYWFEBK-PYJNHQTQSA-N 2 1 222.376 2.010 20 0 BEADMP CC[C@H](C)[C@H](C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1)OC ZINC001576961229 993469595 /nfs/dbraw/zinc/46/95/95/993469595.db2.gz LZTCBGMRFQORMR-XUXIUFHCSA-N 2 1 242.407 2.107 20 0 BEADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000383512962 993497497 /nfs/dbraw/zinc/49/74/97/993497497.db2.gz LQVLLGXBYDHQLO-CYBMUJFWSA-N 2 1 236.334 2.387 20 0 BEADMP CCC[N@@H+](CC(C)C)C[C@@H](O)C[NH+](CC)CC ZINC000383645808 993506420 /nfs/dbraw/zinc/50/64/20/993506420.db2.gz HYRVBGAAXMWJQU-AWEZNQCLSA-N 2 1 244.423 2.057 20 0 BEADMP CCC1(CC)CCC[N@@H+](CC2C[NH2+]C2)CC1 ZINC001577212194 993543850 /nfs/dbraw/zinc/54/38/50/993543850.db2.gz CONUIBHFLDCWOI-UHFFFAOYSA-N 2 1 224.392 2.498 20 0 BEADMP CCc1ccc(C[N@@H+]2CC[NH2+]C[C@@H](C)C2)s1 ZINC000385254278 993654613 /nfs/dbraw/zinc/65/46/13/993654613.db2.gz KJGSJAIFYQRXPP-LLVKDONJSA-N 2 1 238.400 2.352 20 0 BEADMP CCc1ccc(C[N@H+]2CC[NH2+]C[C@@H](C)C2)s1 ZINC000385254278 993654621 /nfs/dbraw/zinc/65/46/21/993654621.db2.gz KJGSJAIFYQRXPP-LLVKDONJSA-N 2 1 238.400 2.352 20 0 BEADMP CCCSC[C@H](C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001577597108 993690122 /nfs/dbraw/zinc/69/01/22/993690122.db2.gz QGDPRUBXYIQFCW-WOPDTQHZSA-N 2 1 230.421 2.248 20 0 BEADMP Cc1ncc(C[N@H+]2CCCC[C@H](C[NH3+])C2)s1 ZINC000390682726 993800460 /nfs/dbraw/zinc/80/04/60/993800460.db2.gz YHDHUDCYZIJOMM-LLVKDONJSA-N 2 1 239.388 2.012 20 0 BEADMP CC1CCC([N@H+]2CCC[C@H]([NH3+])CC2)CC1 ZINC000393196287 993910092 /nfs/dbraw/zinc/91/00/92/993910092.db2.gz AHVWCICJQCWFPY-CPCZMJQVSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@]1([NH3+])CC[N@H+](CC2(c3ccccc3)CC2)C1 ZINC000702836187 994050505 /nfs/dbraw/zinc/05/05/05/994050505.db2.gz OTVTWHXQBRPVQF-AWEZNQCLSA-N 2 1 230.355 2.141 20 0 BEADMP C[C@]1([NH3+])CC[N@@H+](CC2(c3ccccc3)CC2)C1 ZINC000702836187 994050512 /nfs/dbraw/zinc/05/05/12/994050512.db2.gz OTVTWHXQBRPVQF-AWEZNQCLSA-N 2 1 230.355 2.141 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](SC)C2)CC1 ZINC001621360139 1170119686 /nfs/dbraw/zinc/11/96/86/1170119686.db2.gz WODFPGMAGFJTLE-CYBMUJFWSA-N 2 1 242.432 2.156 20 0 BEADMP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001621570550 1170163927 /nfs/dbraw/zinc/16/39/27/1170163927.db2.gz XACUCJSLKICMMB-REBRKWNGSA-N 2 1 236.403 2.495 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001621570546 1170858305 /nfs/dbraw/zinc/85/83/05/1170858305.db2.gz WYYBWVJIZJGHDY-XGFWRYKXSA-N 2 1 222.376 2.105 20 0 BEADMP CCC[N@@H+](CC1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747570 1171153207 /nfs/dbraw/zinc/15/32/07/1171153207.db2.gz YJUBNOJCRCLFBI-PBWFPOADSA-N 2 1 222.376 2.391 20 0 BEADMP CCC1CCC([N@@H+]2CC[C@@H]([NH2+]C)C2)CC1 ZINC000042580721 1171240461 /nfs/dbraw/zinc/24/04/61/1171240461.db2.gz OYTPGYJHPWZCFO-OTTFEQOBSA-N 2 1 210.365 2.249 20 0 BEADMP CCC1CCC([N@H+]2CC[C@@H]([NH2+]C)C2)CC1 ZINC000042580721 1171240469 /nfs/dbraw/zinc/24/04/69/1171240469.db2.gz OYTPGYJHPWZCFO-OTTFEQOBSA-N 2 1 210.365 2.249 20 0 BEADMP CCCC1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC000049545616 1171704670 /nfs/dbraw/zinc/70/46/70/1171704670.db2.gz PUIZFAZRLVHFNE-OTTFEQOBSA-N 2 1 210.365 2.378 20 0 BEADMP CCCC1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC000049545616 1171704679 /nfs/dbraw/zinc/70/46/79/1171704679.db2.gz PUIZFAZRLVHFNE-OTTFEQOBSA-N 2 1 210.365 2.378 20 0 BEADMP Cc1ccc(C[N@@H+](CCN)C(C)C)cc1C ZINC000049668698 1171717698 /nfs/dbraw/zinc/71/76/98/1171717698.db2.gz DMMGZGHWYLQMNP-UHFFFAOYSA-N 2 1 220.360 2.473 20 0 BEADMP Cc1ccc(C[N@H+](CCN)C(C)C)cc1C ZINC000049668698 1171717707 /nfs/dbraw/zinc/71/77/07/1171717707.db2.gz DMMGZGHWYLQMNP-UHFFFAOYSA-N 2 1 220.360 2.473 20 0 BEADMP Cc1ccc(C[N@@H+](CC[NH3+])C(C)C)cc1C ZINC000049668698 1171717713 /nfs/dbraw/zinc/71/77/13/1171717713.db2.gz DMMGZGHWYLQMNP-UHFFFAOYSA-N 2 1 220.360 2.473 20 0 BEADMP Cc1ccc(C[N@H+](CC[NH3+])C(C)C)cc1C ZINC000049668698 1171717717 /nfs/dbraw/zinc/71/77/17/1171717717.db2.gz DMMGZGHWYLQMNP-UHFFFAOYSA-N 2 1 220.360 2.473 20 0 BEADMP COc1ccc(CC[C@@H](C)[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000050228047 1171776769 /nfs/dbraw/zinc/77/67/69/1171776769.db2.gz PXWRKOAPKOUWHX-OCCSQVGLSA-N 2 1 248.370 2.049 20 0 BEADMP COc1ccc(CC[C@@H](C)[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000050228047 1171776777 /nfs/dbraw/zinc/77/67/77/1171776777.db2.gz PXWRKOAPKOUWHX-OCCSQVGLSA-N 2 1 248.370 2.049 20 0 BEADMP c1ccc([C@H]2CC[N@@H+]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000050599361 1171820352 /nfs/dbraw/zinc/82/03/52/1171820352.db2.gz JRSZTULCLLFNCP-LSDHHAIUSA-N 2 1 230.355 2.228 20 0 BEADMP c1ccc([C@H]2CC[N@H+]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000050599361 1171820364 /nfs/dbraw/zinc/82/03/64/1171820364.db2.gz JRSZTULCLLFNCP-LSDHHAIUSA-N 2 1 230.355 2.228 20 0 BEADMP CC[C@@H]1CO[C@H](C)C[N@H+]1CC(CC)(CC)C[NH3+] ZINC000051257652 1171889312 /nfs/dbraw/zinc/88/93/12/1171889312.db2.gz SJPFQSAYWLHHBV-CHWSQXEVSA-N 2 1 242.407 2.251 20 0 BEADMP C1=C(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000385161153 398137393 /nfs/dbraw/zinc/13/73/93/398137393.db2.gz LGXHNRLEPRCWSA-OKILXGFUSA-N 2 1 220.360 2.028 20 0 BEADMP CO[C@H](C[N@H+]1C[C@H](C[NH3+])C[C@H]1C)c1ccccc1 ZINC000379241322 398140994 /nfs/dbraw/zinc/14/09/94/398140994.db2.gz WZKTUCDRJVNGKP-VNHYZAJKSA-N 2 1 248.370 2.043 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2F)CC[N@@H+]1C ZINC000378684327 346808700 /nfs/dbraw/zinc/80/87/00/346808700.db2.gz DHMKHQAICNLNSD-YVECIDJPSA-N 2 1 228.355 2.339 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2F)CC[N@H+]1C ZINC000378684327 346808702 /nfs/dbraw/zinc/80/87/02/346808702.db2.gz DHMKHQAICNLNSD-YVECIDJPSA-N 2 1 228.355 2.339 20 0 BEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC2CC2)C1 ZINC000336706977 187321455 /nfs/dbraw/zinc/32/14/55/187321455.db2.gz LDBWWMUMSVXPBI-OAHLLOKOSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC2CC2)C1 ZINC000336706977 187321457 /nfs/dbraw/zinc/32/14/57/187321457.db2.gz LDBWWMUMSVXPBI-OAHLLOKOSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC000336706977 187321458 /nfs/dbraw/zinc/32/14/58/187321458.db2.gz LDBWWMUMSVXPBI-OAHLLOKOSA-N 2 1 236.403 2.450 20 0 BEADMP C([NH2+][C@H]1CCC12CCC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000337399692 187324437 /nfs/dbraw/zinc/32/44/37/187324437.db2.gz PEZLIFTZOIISPA-OCCSQVGLSA-N 2 1 234.387 2.393 20 0 BEADMP C[N@H+](CCC[NH3+])Cc1cnc2ccccc2c1 ZINC000379605366 398156592 /nfs/dbraw/zinc/15/65/92/398156592.db2.gz AUZFPWWVGCJTID-UHFFFAOYSA-N 2 1 229.327 2.015 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1cnc2ccccc2c1 ZINC000379605366 398156596 /nfs/dbraw/zinc/15/65/96/398156596.db2.gz AUZFPWWVGCJTID-UHFFFAOYSA-N 2 1 229.327 2.015 20 0 BEADMP C[C@@H]1SCC[N@@H+](CC[C@H]2CCC[NH+]2C)[C@H]1C ZINC000245605397 398167757 /nfs/dbraw/zinc/16/77/57/398167757.db2.gz JYMAPSHBYWEFBV-RWMBFGLXSA-N 2 1 242.432 2.297 20 0 BEADMP C[C@@H]1SCC[NH+](CC[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC000245605397 398167758 /nfs/dbraw/zinc/16/77/58/398167758.db2.gz JYMAPSHBYWEFBV-RWMBFGLXSA-N 2 1 242.432 2.297 20 0 BEADMP C[C@@H]1SCC[NH+](CC[C@H]2CCC[N@H+]2C)[C@H]1C ZINC000245605397 398167759 /nfs/dbraw/zinc/16/77/59/398167759.db2.gz JYMAPSHBYWEFBV-RWMBFGLXSA-N 2 1 242.432 2.297 20 0 BEADMP C[N@H+](Cc1cccc(O)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746484 398168753 /nfs/dbraw/zinc/16/87/53/398168753.db2.gz LVVSCYHXHPCFDV-PBWFPOADSA-N 2 1 246.354 2.107 20 0 BEADMP C[N@@H+](Cc1cccc(O)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746484 398168756 /nfs/dbraw/zinc/16/87/56/398168756.db2.gz LVVSCYHXHPCFDV-PBWFPOADSA-N 2 1 246.354 2.107 20 0 BEADMP CC[C@@H]1C[C@@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)CCO1 ZINC000379794771 398168845 /nfs/dbraw/zinc/16/88/45/398168845.db2.gz CFHZLLANZGWQEZ-HZSPNIEDSA-N 2 1 242.407 2.262 20 0 BEADMP CC[C@@H]1C[C@@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)CCO1 ZINC000379794771 398168850 /nfs/dbraw/zinc/16/88/50/398168850.db2.gz CFHZLLANZGWQEZ-HZSPNIEDSA-N 2 1 242.407 2.262 20 0 BEADMP CC[N@@H+](CCC[NH+]1CCCC1)CC1CC1 ZINC000161841116 349511764 /nfs/dbraw/zinc/51/17/64/349511764.db2.gz WUUPPLBDEWJLJE-UHFFFAOYSA-N 2 1 210.365 2.204 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@]2(CC2(F)F)C1 ZINC000649907375 398180944 /nfs/dbraw/zinc/18/09/44/398180944.db2.gz PZEXGHWIESUXNB-NEPJUHHUSA-N 2 1 244.329 2.202 20 0 BEADMP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000415119065 398163160 /nfs/dbraw/zinc/16/31/60/398163160.db2.gz YOQMJUFBZLVJKX-HIFRSBDPSA-N 2 1 247.386 2.134 20 0 BEADMP C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423174060 398164490 /nfs/dbraw/zinc/16/44/90/398164490.db2.gz BDDPBPWMJLPKQE-KKOKHZNYSA-N 2 1 228.405 2.001 20 0 BEADMP CC[C@H]([NH2+]CC1([NH3+])CCC1)c1ccncc1 ZINC000423327148 398166248 /nfs/dbraw/zinc/16/62/48/398166248.db2.gz LFFJPBLMUJMCFQ-LBPRGKRZSA-N 2 1 219.332 2.004 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000083390386 398185687 /nfs/dbraw/zinc/18/56/87/398185687.db2.gz OACOQGIYOAHRGI-XJFOESAGSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000083390386 398185690 /nfs/dbraw/zinc/18/56/90/398185690.db2.gz OACOQGIYOAHRGI-XJFOESAGSA-N 2 1 222.376 2.391 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000235751278 178085810 /nfs/dbraw/zinc/08/58/10/178085810.db2.gz BLBFMOZWGLXXAN-AWEZNQCLSA-N 2 1 236.334 2.305 20 0 BEADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094339196 178086328 /nfs/dbraw/zinc/08/63/28/178086328.db2.gz LGODTSYLCZHEQN-BXUZGUMPSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094339196 178086331 /nfs/dbraw/zinc/08/63/31/178086331.db2.gz LGODTSYLCZHEQN-BXUZGUMPSA-N 2 1 236.334 2.303 20 0 BEADMP C[N@@H+]1CCC[C@H](CNc2cc[nH+]cc2Cl)C1 ZINC000086833134 398192112 /nfs/dbraw/zinc/19/21/12/398192112.db2.gz ZILNDPVWSBOIOJ-SNVBAGLBSA-N 2 1 239.750 2.489 20 0 BEADMP C[N@H+]1CCC[C@H](CNc2cc[nH+]cc2Cl)C1 ZINC000086833134 398192113 /nfs/dbraw/zinc/19/21/13/398192113.db2.gz ZILNDPVWSBOIOJ-SNVBAGLBSA-N 2 1 239.750 2.489 20 0 BEADMP CC1CC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000228671009 398196755 /nfs/dbraw/zinc/19/67/55/398196755.db2.gz HRGJMPKAKPWADA-TUUUFIMRSA-N 2 1 208.349 2.001 20 0 BEADMP CC1CC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000228671009 398196758 /nfs/dbraw/zinc/19/67/58/398196758.db2.gz HRGJMPKAKPWADA-TUUUFIMRSA-N 2 1 208.349 2.001 20 0 BEADMP Cc1cc(N2CCC[N@H+]3CCC[C@H]3C2)cc[nH+]1 ZINC000372227313 178114214 /nfs/dbraw/zinc/11/42/14/178114214.db2.gz LDXCLKONZWMLDQ-AWEZNQCLSA-N 2 1 231.343 2.065 20 0 BEADMP Cc1nc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cs1 ZINC000069723919 398213900 /nfs/dbraw/zinc/21/39/00/398213900.db2.gz DRCJDQDVSNCCAZ-LLVKDONJSA-N 2 1 239.388 2.012 20 0 BEADMP Cc1cc(NC[C@@H]2CCC[N@H+](C)C2)cc[nH+]1 ZINC000229565547 178167695 /nfs/dbraw/zinc/16/76/95/178167695.db2.gz VEZVFCZTPXXDEP-LBPRGKRZSA-N 2 1 219.332 2.144 20 0 BEADMP Cc1cc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc[nH+]1 ZINC000290737956 178184916 /nfs/dbraw/zinc/18/49/16/178184916.db2.gz GUKZSDXCUSNMJS-WCQYABFASA-N 2 1 231.343 2.427 20 0 BEADMP Cc1cc(N[C@@H](C)C2=CC[N@H+](C)CC2)nc(C)[nH+]1 ZINC000275827492 538931914 /nfs/dbraw/zinc/93/19/14/538931914.db2.gz NTAAFJFOHYYTKZ-NSHDSACASA-N 2 1 246.358 2.156 20 0 BEADMP Cc1cc(N[C@@H](C)C2=CC[N@@H+](C)CC2)nc(C)[nH+]1 ZINC000275827492 538931916 /nfs/dbraw/zinc/93/19/16/538931916.db2.gz NTAAFJFOHYYTKZ-NSHDSACASA-N 2 1 246.358 2.156 20 0 BEADMP Cc1cc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)on1 ZINC000336523844 178241315 /nfs/dbraw/zinc/24/13/15/178241315.db2.gz FJWSQMOFZDUBCG-OLZOCXBDSA-N 2 1 249.358 2.120 20 0 BEADMP Cc1cc([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)on1 ZINC000336523844 178241318 /nfs/dbraw/zinc/24/13/18/178241318.db2.gz FJWSQMOFZDUBCG-OLZOCXBDSA-N 2 1 249.358 2.120 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000229539148 538939651 /nfs/dbraw/zinc/93/96/51/538939651.db2.gz PZHBMFMTNTYDNX-YPMHNXCESA-N 2 1 210.365 2.391 20 0 BEADMP CCOc1cccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000252793813 136226849 /nfs/dbraw/zinc/22/68/49/136226849.db2.gz XULNXZAYXDGLLO-JSGCOSHPSA-N 2 1 248.370 2.254 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC000162021598 349548615 /nfs/dbraw/zinc/54/86/15/349548615.db2.gz NBGFPSHUULNCEB-UPJWGTAASA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC000162021598 349548616 /nfs/dbraw/zinc/54/86/16/349548616.db2.gz NBGFPSHUULNCEB-UPJWGTAASA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000378738796 346819520 /nfs/dbraw/zinc/81/95/20/346819520.db2.gz GWPMVDISSALGBP-RXGFPQBGSA-N 2 1 228.355 2.195 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000378738796 346819522 /nfs/dbraw/zinc/81/95/22/346819522.db2.gz GWPMVDISSALGBP-RXGFPQBGSA-N 2 1 228.355 2.195 20 0 BEADMP CC(C)(C)CC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000381594230 398265352 /nfs/dbraw/zinc/26/53/52/398265352.db2.gz KWDZMNXDFXDITP-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)(C)CC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000381594230 398265353 /nfs/dbraw/zinc/26/53/53/398265353.db2.gz KWDZMNXDFXDITP-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CCS1 ZINC000162099357 349564279 /nfs/dbraw/zinc/56/42/79/349564279.db2.gz WGUJUCNFUCPKTN-STQMWFEESA-N 2 1 242.432 2.298 20 0 BEADMP CC[C@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CCS1 ZINC000162099357 349564281 /nfs/dbraw/zinc/56/42/81/349564281.db2.gz WGUJUCNFUCPKTN-STQMWFEESA-N 2 1 242.432 2.298 20 0 BEADMP CC[C@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CCS1 ZINC000162099357 349564282 /nfs/dbraw/zinc/56/42/82/349564282.db2.gz WGUJUCNFUCPKTN-STQMWFEESA-N 2 1 242.432 2.298 20 0 BEADMP C[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)C(C)(C)C ZINC000381595578 398265100 /nfs/dbraw/zinc/26/51/00/398265100.db2.gz JRISTSNIMWOORZ-UPJWGTAASA-N 2 1 224.392 2.352 20 0 BEADMP CC(C)CC[N@@H+](CCn1ccnc1)C1CC1 ZINC000179314066 538954787 /nfs/dbraw/zinc/95/47/87/538954787.db2.gz YDMYHIBVOMUWAB-UHFFFAOYSA-N 2 1 221.348 2.394 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)C1(C)CC1 ZINC000166566781 361852711 /nfs/dbraw/zinc/85/27/11/361852711.db2.gz PKOXRBIBFBADMN-LBPRGKRZSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)C1(C)CC1 ZINC000166566897 361852878 /nfs/dbraw/zinc/85/28/78/361852878.db2.gz PKOXRBIBFBADMN-GFCCVEGCSA-N 2 1 212.381 2.495 20 0 BEADMP CSC1(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000600191492 342697988 /nfs/dbraw/zinc/69/79/88/342697988.db2.gz PJULDOZPVUFNLO-LBPRGKRZSA-N 2 1 242.432 2.204 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000382309835 361895477 /nfs/dbraw/zinc/89/54/77/361895477.db2.gz ICPILYPPTRBBKM-TUAOUCFPSA-N 2 1 246.345 2.481 20 0 BEADMP Fc1ccc2c(c1)C[N@@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000335338224 398285296 /nfs/dbraw/zinc/28/52/96/398285296.db2.gz HKDJGRDSGXJRBX-LBPRGKRZSA-N 2 1 248.345 2.183 20 0 BEADMP Fc1ccc2c(c1)C[N@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000335338224 398285299 /nfs/dbraw/zinc/28/52/99/398285299.db2.gz HKDJGRDSGXJRBX-LBPRGKRZSA-N 2 1 248.345 2.183 20 0 BEADMP CCC(CC)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036996877 168390921 /nfs/dbraw/zinc/39/09/21/168390921.db2.gz CHGDKWVCPMPNOV-CHWSQXEVSA-N 2 1 210.365 2.391 20 0 BEADMP CCC(CC)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036996877 168390922 /nfs/dbraw/zinc/39/09/22/168390922.db2.gz CHGDKWVCPMPNOV-CHWSQXEVSA-N 2 1 210.365 2.391 20 0 BEADMP CCC(CC)[NH2+][C@@H](C)C[NH+](CC)CC ZINC000045690687 168391252 /nfs/dbraw/zinc/39/12/52/168391252.db2.gz VFPKAHFRKLURJW-NSHDSACASA-N 2 1 200.370 2.495 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCCO2)CC1 ZINC000383258636 539011772 /nfs/dbraw/zinc/01/17/72/539011772.db2.gz SNLGXOWKWOAGJN-OCCSQVGLSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CC[C@@H](C)NC2)C1 ZINC000062948546 539017478 /nfs/dbraw/zinc/01/74/78/539017478.db2.gz HPAUANATDMMYES-YVECIDJPSA-N 2 1 210.365 2.105 20 0 BEADMP CCC[N@H+](CCCc1c[nH+]cn1C)CC1CC1 ZINC000519835804 398307961 /nfs/dbraw/zinc/30/79/61/398307961.db2.gz YMMMPNMOBDFCCZ-UHFFFAOYSA-N 2 1 235.375 2.475 20 0 BEADMP CCC[N@@H+](CCCc1c[nH+]cn1C)CC1CC1 ZINC000519835804 398307964 /nfs/dbraw/zinc/30/79/64/398307964.db2.gz YMMMPNMOBDFCCZ-UHFFFAOYSA-N 2 1 235.375 2.475 20 0 BEADMP CCc1ccc(C[N@@H+](C)CCC[NH3+])cc1 ZINC000036198793 342897382 /nfs/dbraw/zinc/89/73/82/342897382.db2.gz DOYJQZCWGUTXPO-UHFFFAOYSA-N 2 1 206.333 2.030 20 0 BEADMP CC1(C)COC[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000313054185 259330257 /nfs/dbraw/zinc/33/02/57/259330257.db2.gz HQVDZAPEYVMUPO-RDBSUJKOSA-N 2 1 246.354 2.146 20 0 BEADMP CSCC[C@H](C)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000156910392 398339738 /nfs/dbraw/zinc/33/97/38/398339738.db2.gz ZIWWWCPNIHIGNO-LBPRGKRZSA-N 2 1 244.448 2.450 20 0 BEADMP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000232673166 259332811 /nfs/dbraw/zinc/33/28/11/259332811.db2.gz UVLUOUFJFLXCGS-VXGBXAGGSA-N 2 1 236.359 2.472 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000223328110 259334311 /nfs/dbraw/zinc/33/43/11/259334311.db2.gz SJNTTZUYTCOSML-BDAKNGLRSA-N 2 1 212.724 2.338 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000167478457 136255526 /nfs/dbraw/zinc/25/55/26/136255526.db2.gz WRIPMOIYFYFAPJ-RTXFEEFZSA-N 2 1 210.365 2.140 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)C1CCOCC1 ZINC000353910384 187208927 /nfs/dbraw/zinc/20/89/27/187208927.db2.gz DDYCFXBYOBHYFK-ZDUSSCGKSA-N 2 1 242.407 2.121 20 0 BEADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccncc1 ZINC000019942940 342964008 /nfs/dbraw/zinc/96/40/08/342964008.db2.gz FNVUOYJYXPHTBI-ZDUSSCGKSA-N 2 1 235.375 2.464 20 0 BEADMP CCCCOCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000355889001 187212014 /nfs/dbraw/zinc/21/20/14/187212014.db2.gz JONSMKIVIFZSGA-AWEZNQCLSA-N 2 1 242.407 2.077 20 0 BEADMP CCCCOCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000355889001 187212015 /nfs/dbraw/zinc/21/20/15/187212015.db2.gz JONSMKIVIFZSGA-AWEZNQCLSA-N 2 1 242.407 2.077 20 0 BEADMP CCCCOCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000355889001 187212016 /nfs/dbraw/zinc/21/20/16/187212016.db2.gz JONSMKIVIFZSGA-AWEZNQCLSA-N 2 1 242.407 2.077 20 0 BEADMP CC[C@H](CSC)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223827443 259339044 /nfs/dbraw/zinc/33/90/44/259339044.db2.gz VEVTZUAXZHWZBR-QJPTWQEYSA-N 2 1 230.421 2.200 20 0 BEADMP CC[C@H](CSC)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223827443 259339045 /nfs/dbraw/zinc/33/90/45/259339045.db2.gz VEVTZUAXZHWZBR-QJPTWQEYSA-N 2 1 230.421 2.200 20 0 BEADMP CC[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000037914081 343002209 /nfs/dbraw/zinc/00/22/09/343002209.db2.gz BOXGXBSKRAETBX-ZDUSSCGKSA-N 2 1 210.365 2.251 20 0 BEADMP CC[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000037914080 343002299 /nfs/dbraw/zinc/00/22/99/343002299.db2.gz BOXGXBSKRAETBX-CYBMUJFWSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@H](F)CC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000351875393 136261011 /nfs/dbraw/zinc/26/10/11/136261011.db2.gz LPONVKOGHCQZDG-GHMZBOCLSA-N 2 1 225.311 2.337 20 0 BEADMP Cc1ccncc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000162636230 349779088 /nfs/dbraw/zinc/77/90/88/349779088.db2.gz BQHGPGMUKIXLEL-KCQAQPDRSA-N 2 1 247.386 2.208 20 0 BEADMP Cc1ccncc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000162636230 349779090 /nfs/dbraw/zinc/77/90/90/349779090.db2.gz BQHGPGMUKIXLEL-KCQAQPDRSA-N 2 1 247.386 2.208 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000124494724 343162545 /nfs/dbraw/zinc/16/25/45/343162545.db2.gz PXBUIXSKYSTARG-MLGOLLRUSA-N 2 1 244.382 2.487 20 0 BEADMP Cc1ccc(F)c(C[NH2+]CCc2c[nH+]cn2C)c1 ZINC000401764448 343228743 /nfs/dbraw/zinc/22/87/43/343228743.db2.gz FIQFIPJRVOYHQM-UHFFFAOYSA-N 2 1 247.317 2.200 20 0 BEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)nc2)[C@@H](C)C1 ZINC000268765828 136282164 /nfs/dbraw/zinc/28/21/64/136282164.db2.gz JEIPPBRCHRQRJN-SWLSCSKDSA-N 2 1 247.386 2.210 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)nc2)[C@@H](C)C1 ZINC000268765828 136282165 /nfs/dbraw/zinc/28/21/65/136282165.db2.gz JEIPPBRCHRQRJN-SWLSCSKDSA-N 2 1 247.386 2.210 20 0 BEADMP c1cnc2cccc(C[N@@H+]3CCC[NH2+]CC3)c2c1 ZINC000634687368 343239845 /nfs/dbraw/zinc/23/98/45/343239845.db2.gz ITAYONRKVKHIPP-UHFFFAOYSA-N 2 1 241.338 2.030 20 0 BEADMP c1cnc2cccc(C[N@H+]3CCC[NH2+]CC3)c2c1 ZINC000634687368 343239846 /nfs/dbraw/zinc/23/98/46/343239846.db2.gz ITAYONRKVKHIPP-UHFFFAOYSA-N 2 1 241.338 2.030 20 0 BEADMP C[C@@H]1CC[C@H](C[NH2+][C@H](C[NH3+])C2CCCCC2)O1 ZINC000634688338 343246852 /nfs/dbraw/zinc/24/68/52/343246852.db2.gz PLEUPHKZEWHZOL-MRVWCRGKSA-N 2 1 240.391 2.051 20 0 BEADMP CC[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000302365362 529701872 /nfs/dbraw/zinc/70/18/72/529701872.db2.gz KKDAZURKEUHPEL-CFVMTHIKSA-N 2 1 232.371 2.459 20 0 BEADMP CCC1([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000335626659 136299842 /nfs/dbraw/zinc/29/98/42/136299842.db2.gz VYUCOWCTGSNKEO-NEPJUHHUSA-N 2 1 208.349 2.145 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000166224981 136313573 /nfs/dbraw/zinc/31/35/73/136313573.db2.gz CYYCZCKLPMETPY-AAEUAGOBSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]1CCC[N@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000335698430 136327709 /nfs/dbraw/zinc/32/77/09/136327709.db2.gz NYVUYONZBKVEBD-STQMWFEESA-N 2 1 210.365 2.345 20 0 BEADMP C[C@H]1CCC[NH+]1CC[C@@H]1CCCC[N@@H+]1C ZINC000335698430 136327710 /nfs/dbraw/zinc/32/77/10/136327710.db2.gz NYVUYONZBKVEBD-STQMWFEESA-N 2 1 210.365 2.345 20 0 BEADMP C[C@H]1CCC[NH+]1CC[C@@H]1CCCC[N@H+]1C ZINC000335698430 136327711 /nfs/dbraw/zinc/32/77/11/136327711.db2.gz NYVUYONZBKVEBD-STQMWFEESA-N 2 1 210.365 2.345 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H]1CCSC1 ZINC000349365428 136343142 /nfs/dbraw/zinc/34/31/42/136343142.db2.gz HVFDWRFPZRQRCG-ZDUSSCGKSA-N 2 1 244.448 2.403 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1C[C@H]1C ZINC000349408375 136344438 /nfs/dbraw/zinc/34/44/38/136344438.db2.gz PUZSUGRTCSQHDQ-YPMHNXCESA-N 2 1 221.348 2.169 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1C[C@H]1C ZINC000349408375 136344439 /nfs/dbraw/zinc/34/44/39/136344439.db2.gz PUZSUGRTCSQHDQ-YPMHNXCESA-N 2 1 221.348 2.169 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H]1CCCOC1 ZINC000349408855 136344471 /nfs/dbraw/zinc/34/44/71/136344471.db2.gz QPIDLYSRRJTURI-CQSZACIVSA-N 2 1 242.407 2.077 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1C[C@@H]1C ZINC000349408374 136344644 /nfs/dbraw/zinc/34/46/44/136344644.db2.gz PUZSUGRTCSQHDQ-WCQYABFASA-N 2 1 221.348 2.169 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1C[C@@H]1C ZINC000349408374 136344645 /nfs/dbraw/zinc/34/46/45/136344645.db2.gz PUZSUGRTCSQHDQ-WCQYABFASA-N 2 1 221.348 2.169 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@H](C(C)C)C1 ZINC000166313192 136345530 /nfs/dbraw/zinc/34/55/30/136345530.db2.gz QERJDOVKCVVVFU-QWHCGFSZSA-N 2 1 212.381 2.338 20 0 BEADMP CC(C)OC1CC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000349351131 136342680 /nfs/dbraw/zinc/34/26/80/136342680.db2.gz FCBGWSRJXZPIAM-MRFVTOPCSA-N 2 1 240.391 2.015 20 0 BEADMP CC(C)OC1CC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000349351131 136342681 /nfs/dbraw/zinc/34/26/81/136342681.db2.gz FCBGWSRJXZPIAM-MRFVTOPCSA-N 2 1 240.391 2.015 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC000166530441 136358097 /nfs/dbraw/zinc/35/80/97/136358097.db2.gz FURIRQNBNMOQRP-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@H+]1CCC[C@H]1CNc1cc(C)ccn1 ZINC000043561431 343477889 /nfs/dbraw/zinc/47/78/89/343477889.db2.gz DIYSCTZCPUOLDC-LBPRGKRZSA-N 2 1 219.332 2.286 20 0 BEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000083565807 343490881 /nfs/dbraw/zinc/49/08/81/343490881.db2.gz RCSXUZRJTLLVCH-GWCFXTLKSA-N 2 1 204.317 2.075 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(C)cc1 ZINC000049329934 343596035 /nfs/dbraw/zinc/59/60/35/343596035.db2.gz CEPKXNVWDLZVMT-UHFFFAOYSA-N 2 1 229.327 2.290 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)c1c[nH+]ccc1N ZINC000580565122 365781466 /nfs/dbraw/zinc/78/14/66/365781466.db2.gz VVTMJNOISYOQEL-HBNTYKKESA-N 2 1 237.322 2.425 20 0 BEADMP CC[NH2+]CCC[NH2+][C@H](C)c1ncccc1CC ZINC000577053487 365794873 /nfs/dbraw/zinc/79/48/73/365794873.db2.gz AVJPSNGRHVWHPL-GFCCVEGCSA-N 2 1 235.375 2.294 20 0 BEADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000336396566 537806544 /nfs/dbraw/zinc/80/65/44/537806544.db2.gz CVAFIILUMNSYRV-IUODEOHRSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000336396566 537806548 /nfs/dbraw/zinc/80/65/48/537806548.db2.gz CVAFIILUMNSYRV-IUODEOHRSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cn1 ZINC000336396566 537806550 /nfs/dbraw/zinc/80/65/50/537806550.db2.gz CVAFIILUMNSYRV-IUODEOHRSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cn1 ZINC000336396566 537806553 /nfs/dbraw/zinc/80/65/53/537806553.db2.gz CVAFIILUMNSYRV-IUODEOHRSA-N 2 1 247.386 2.162 20 0 BEADMP C[C@@H](C[N@H+]1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000044528046 343781277 /nfs/dbraw/zinc/78/12/77/343781277.db2.gz QIKLPOPRTBEGTO-UONOGXRCSA-N 2 1 232.371 2.461 20 0 BEADMP Cc1ccsc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044527838 343781301 /nfs/dbraw/zinc/78/13/01/343781301.db2.gz YCOGWWMYVPRJNH-NSHDSACASA-N 2 1 224.373 2.227 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000336682614 537823207 /nfs/dbraw/zinc/82/32/07/537823207.db2.gz RZSDPTKQOUDGKQ-OLZOCXBDSA-N 2 1 221.348 2.216 20 0 BEADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)ccn1 ZINC000621776702 343899378 /nfs/dbraw/zinc/89/93/78/343899378.db2.gz SZWUBVAASGCCRL-LNSITVRQSA-N 2 1 247.386 2.195 20 0 BEADMP Cc1cc(C[NH2+]CCc2c[nH+]cn2C)c(C)s1 ZINC000401873069 343924643 /nfs/dbraw/zinc/92/46/43/343924643.db2.gz LWHFYAIWKJGWOO-UHFFFAOYSA-N 2 1 249.383 2.431 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCCC2)C1 ZINC000040620882 187281307 /nfs/dbraw/zinc/28/13/07/187281307.db2.gz LSMYJMRLITYEHD-GFCCVEGCSA-N 2 1 210.365 2.249 20 0 BEADMP COc1cccc2c1CCC[C@H]2[NH2+]CC(C)(C)[NH3+] ZINC000518359995 344210858 /nfs/dbraw/zinc/21/08/58/344210858.db2.gz MALXQCFBOHOBFL-CYBMUJFWSA-N 2 1 248.370 2.400 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000336751299 537842166 /nfs/dbraw/zinc/84/21/66/537842166.db2.gz CHQVVAYINSLLQK-KWCYVHTRSA-N 2 1 222.376 2.106 20 0 BEADMP Cc1ccccc1C(C)(C)C[NH2+][C@H]1CC[NH2+]C1 ZINC000215645523 349905927 /nfs/dbraw/zinc/90/59/27/349905927.db2.gz PNDSZLXFPLCAAX-ZDUSSCGKSA-N 2 1 232.371 2.224 20 0 BEADMP CCC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000309212254 168477493 /nfs/dbraw/zinc/47/74/93/168477493.db2.gz DVBNSPMYRCIWGJ-UHFFFAOYSA-N 2 1 222.376 2.393 20 0 BEADMP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000224187350 344314698 /nfs/dbraw/zinc/31/46/98/344314698.db2.gz IGLCJYOXIZKHDQ-OLZOCXBDSA-N 2 1 204.317 2.171 20 0 BEADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC000224187350 344314699 /nfs/dbraw/zinc/31/46/99/344314699.db2.gz IGLCJYOXIZKHDQ-OLZOCXBDSA-N 2 1 204.317 2.171 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000385164065 344356982 /nfs/dbraw/zinc/35/69/82/344356982.db2.gz CIDIONYEEUCZBQ-STQMWFEESA-N 2 1 218.344 2.225 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000385164065 344356984 /nfs/dbraw/zinc/35/69/84/344356984.db2.gz CIDIONYEEUCZBQ-STQMWFEESA-N 2 1 218.344 2.225 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C(C)C)C1CC1 ZINC000381258203 344309952 /nfs/dbraw/zinc/30/99/52/344309952.db2.gz RINUEKQTEQRVEP-CYBMUJFWSA-N 2 1 221.348 2.216 20 0 BEADMP CC(C)[N@@H+](CC1CC1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000300055816 344383986 /nfs/dbraw/zinc/38/39/86/344383986.db2.gz KLMGDXXPIXYCHO-TZMCWYRMSA-N 2 1 224.392 2.495 20 0 BEADMP Cc1cc(N[C@@H]2CC[NH2+]CC(C)(C)C2)nc(C)[nH+]1 ZINC000634813591 344399026 /nfs/dbraw/zinc/39/90/26/344399026.db2.gz QOCIVSJXFNJAHB-GFCCVEGCSA-N 2 1 248.374 2.284 20 0 BEADMP COCCCCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152339459 344521873 /nfs/dbraw/zinc/52/18/73/344521873.db2.gz RRILTIPHOJVMNA-CQSZACIVSA-N 2 1 242.407 2.077 20 0 BEADMP Cc1nc(C)c([C@@H](C)[NH2+]CC(C)(C)[NH3+])s1 ZINC000049538761 344651746 /nfs/dbraw/zinc/65/17/46/344651746.db2.gz USQDIJWKTRGSOU-SSDOTTSWSA-N 2 1 227.377 2.148 20 0 BEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000569616293 344683819 /nfs/dbraw/zinc/68/38/19/344683819.db2.gz QRIDRUZBTQCGNC-QEJZJMRPSA-N 2 1 236.403 2.495 20 0 BEADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)CC1(C)CCC1 ZINC000432833659 537866923 /nfs/dbraw/zinc/86/69/23/537866923.db2.gz DYMNSCNVNPQOQR-CYBMUJFWSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)CC1(C)CCC1 ZINC000432833659 537866931 /nfs/dbraw/zinc/86/69/31/537866931.db2.gz DYMNSCNVNPQOQR-CYBMUJFWSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC1(C)CCC1 ZINC000432833659 537866936 /nfs/dbraw/zinc/86/69/36/537866936.db2.gz DYMNSCNVNPQOQR-CYBMUJFWSA-N 2 1 224.392 2.450 20 0 BEADMP CC(C)c1cnc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])s1 ZINC000578442614 344884550 /nfs/dbraw/zinc/88/45/50/344884550.db2.gz ACJLYNSWUBQYFM-NXEZZACHSA-N 2 1 241.404 2.482 20 0 BEADMP CC(C)c1cnc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])s1 ZINC000578442617 344882320 /nfs/dbraw/zinc/88/23/20/344882320.db2.gz ACJLYNSWUBQYFM-ZJUUUORDSA-N 2 1 241.404 2.482 20 0 BEADMP C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000306073390 187296041 /nfs/dbraw/zinc/29/60/41/187296041.db2.gz DNFJOCUWIWKGKC-AHDPXTMNSA-N 2 1 234.387 2.391 20 0 BEADMP [NH3+]CC[NH2+]C1CCC2(CCCCC2)CC1 ZINC000044460145 345081860 /nfs/dbraw/zinc/08/18/60/345081860.db2.gz YJQJZGIKZWCIES-UHFFFAOYSA-N 2 1 210.365 2.428 20 0 BEADMP CO[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)C ZINC000154907272 345056658 /nfs/dbraw/zinc/05/66/58/345056658.db2.gz QPQOCXBSLAJZDJ-UPJWGTAASA-N 2 1 242.407 2.120 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)CC[N@H+]1C ZINC000156095979 345122612 /nfs/dbraw/zinc/12/26/12/345122612.db2.gz FBQZSTGRTXPTSI-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993397 345190358 /nfs/dbraw/zinc/19/03/58/345190358.db2.gz SZDBDWLWLYZWFG-FVEONMQPSA-N 2 1 234.387 2.391 20 0 BEADMP C[C@H]1CC[N@H+](CC23CC(C2)CN3)C[C@H](C)C1 ZINC000634993579 345190556 /nfs/dbraw/zinc/19/05/56/345190556.db2.gz YOOQFVKJAXRWSI-MRFVTOPCSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@H]1CC[N@@H+](CC23CC(C2)CN3)C[C@H](C)C1 ZINC000634993579 345190557 /nfs/dbraw/zinc/19/05/57/345190557.db2.gz YOOQFVKJAXRWSI-MRFVTOPCSA-N 2 1 222.376 2.106 20 0 BEADMP CCC(C)(C)CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000635024494 345225493 /nfs/dbraw/zinc/22/54/93/345225493.db2.gz YZGRLTSNRDXVSS-RYUDHWBXSA-N 2 1 212.381 2.400 20 0 BEADMP CCOc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000227058004 345246396 /nfs/dbraw/zinc/24/63/96/345246396.db2.gz QJMRYCNSBGAUPI-WFASDCNBSA-N 2 1 248.370 2.254 20 0 BEADMP C[C@H]1C[N@@H+](Cc2coc3ccccc23)C[C@H]1C[NH3+] ZINC000634998091 345197736 /nfs/dbraw/zinc/19/77/36/345197736.db2.gz ANHCOFUNYRDIIL-NWDGAFQWSA-N 2 1 244.338 2.459 20 0 BEADMP C[C@H](Cc1ccccc1)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999616 345200340 /nfs/dbraw/zinc/20/03/40/345200340.db2.gz WZXDXGJGOXAFRM-IJEWVQPXSA-N 2 1 246.398 2.392 20 0 BEADMP CCc1cccc(C[NH+]2CCC([NH2+]C)CC2)c1 ZINC000146636098 345201402 /nfs/dbraw/zinc/20/14/02/345201402.db2.gz SYKJNLJGRAXLGO-UHFFFAOYSA-N 2 1 232.371 2.433 20 0 BEADMP Cc1ccccc1[C@@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000635002321 345204063 /nfs/dbraw/zinc/20/40/63/345204063.db2.gz QDBQPZDZQGXSHK-DNOWBOINSA-N 2 1 230.355 2.398 20 0 BEADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000635014061 345219147 /nfs/dbraw/zinc/21/91/47/345219147.db2.gz YHDFANGYTKGZDA-XFWSIPNHSA-N 2 1 236.281 2.187 20 0 BEADMP Cc1scc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1C ZINC000635023075 345222229 /nfs/dbraw/zinc/22/22/29/345222229.db2.gz RMOMIWCSEQCUQT-NEPJUHHUSA-N 2 1 224.373 2.334 20 0 BEADMP Cc1c[nH+]ccc1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158451696 345337114 /nfs/dbraw/zinc/33/71/14/345337114.db2.gz IVPOFJXYCKRAHG-NEPJUHHUSA-N 2 1 219.332 2.285 20 0 BEADMP CCC1CC[NH+](C[C@H]2CCCC[NH2+]2)CC1 ZINC000042447402 168528233 /nfs/dbraw/zinc/52/82/33/168528233.db2.gz LVNZSIPBVMOYQZ-CYBMUJFWSA-N 2 1 210.365 2.251 20 0 BEADMP Cc1ccc(C[N@H+](C)[C@@H](CN)C2CC2)cc1C ZINC000159705694 345489444 /nfs/dbraw/zinc/48/94/44/345489444.db2.gz PBVDZSSIOLWWHJ-HNNXBMFYSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1ccc(C[N@@H+](C)[C@@H](C[NH3+])C2CC2)cc1C ZINC000159705694 345489448 /nfs/dbraw/zinc/48/94/48/345489448.db2.gz PBVDZSSIOLWWHJ-HNNXBMFYSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1ccc(C[N@H+](C)[C@@H](C[NH3+])C2CC2)cc1C ZINC000159705694 345489450 /nfs/dbraw/zinc/48/94/50/345489450.db2.gz PBVDZSSIOLWWHJ-HNNXBMFYSA-N 2 1 232.371 2.473 20 0 BEADMP CC1CCC([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000089555128 345560871 /nfs/dbraw/zinc/56/08/71/345560871.db2.gz QTHTYBOOMWTMBM-FKZOYECMSA-N 2 1 224.392 2.495 20 0 BEADMP CC1CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000089555128 345560873 /nfs/dbraw/zinc/56/08/73/345560873.db2.gz QTHTYBOOMWTMBM-FKZOYECMSA-N 2 1 224.392 2.495 20 0 BEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1(C2CC2)CC1 ZINC000090772696 345575467 /nfs/dbraw/zinc/57/54/67/345575467.db2.gz VUZHWDSIQVJVQA-KGLIPLIRSA-N 2 1 234.387 2.393 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCC(C)(F)F ZINC000390243264 259383807 /nfs/dbraw/zinc/38/38/07/259383807.db2.gz PEORAJNBMCRFOP-GHMZBOCLSA-N 2 1 234.334 2.352 20 0 BEADMP C[C@@H](C[NH2+][C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000215655234 345742818 /nfs/dbraw/zinc/74/28/18/345742818.db2.gz SEGOAWBBRHMOEU-FZMZJTMJSA-N 2 1 236.334 2.271 20 0 BEADMP CC1(C)SC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000309815622 187311259 /nfs/dbraw/zinc/31/12/59/187311259.db2.gz VFHHABUJJJNSRB-WOPDTQHZSA-N 2 1 240.416 2.097 20 0 BEADMP CCOC[C@@H]1CC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000191803854 346065042 /nfs/dbraw/zinc/06/50/42/346065042.db2.gz STFGWMXFPZFRPY-CQSZACIVSA-N 2 1 242.407 2.077 20 0 BEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CC2(C)CC2)C1 ZINC000381521490 346242555 /nfs/dbraw/zinc/24/25/55/346242555.db2.gz UVIMQJWVXAAEMI-CYBMUJFWSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000122155258 179035011 /nfs/dbraw/zinc/03/50/11/179035011.db2.gz OLQGZXCWBMSHGT-CYBMUJFWSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000122155258 179035012 /nfs/dbraw/zinc/03/50/12/179035012.db2.gz OLQGZXCWBMSHGT-CYBMUJFWSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1cccc(C)c1C[NH2+]C1CC[NH+](C)CC1 ZINC000083359008 179037403 /nfs/dbraw/zinc/03/74/03/179037403.db2.gz QRGAIEZMHFBDNK-UHFFFAOYSA-N 2 1 232.371 2.487 20 0 BEADMP C[C@@H](CC1CC1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000069662174 349952538 /nfs/dbraw/zinc/95/25/38/349952538.db2.gz UXGRXJAZNSKQMP-WCQYABFASA-N 2 1 210.365 2.106 20 0 BEADMP Cc1cccc(C[N@H+](C)C2CC[NH2+]CC2)c1 ZINC000036301451 179064115 /nfs/dbraw/zinc/06/41/15/179064115.db2.gz WIBJDOBALBFQOJ-UHFFFAOYSA-N 2 1 218.344 2.179 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000228204718 179081905 /nfs/dbraw/zinc/08/19/05/179081905.db2.gz BPSLYPCHBVNWEJ-JSGCOSHPSA-N 2 1 218.344 2.164 20 0 BEADMP Cc1[nH+]ccn1[C@@H]1CCCN(CC(F)F)C1 ZINC000603413087 349961454 /nfs/dbraw/zinc/96/14/54/349961454.db2.gz VKDJXGDPVXNIFD-SNVBAGLBSA-N 2 1 229.274 2.094 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000335271825 179082842 /nfs/dbraw/zinc/08/28/42/179082842.db2.gz WDQBHOOGUVKSTE-IYBDPMFKSA-N 2 1 244.382 2.426 20 0 BEADMP CCC(F)(F)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000641799429 362748040 /nfs/dbraw/zinc/74/80/40/362748040.db2.gz MVAGHGAEMFWUON-LLVKDONJSA-N 2 1 246.345 2.496 20 0 BEADMP CCC(F)(F)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000641797110 362741362 /nfs/dbraw/zinc/74/13/62/362741362.db2.gz USMBARHTDFQBGL-VIFPVBQESA-N 2 1 220.307 2.091 20 0 BEADMP COc1ccc(C)cc1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641805083 362762401 /nfs/dbraw/zinc/76/24/01/362762401.db2.gz MNMLIPZWKYBFQX-ZIAGYGMSSA-N 2 1 248.370 2.219 20 0 BEADMP Cc1ccncc1CCC[N@H+]1CCC[C@@]1(C)CO ZINC000580060656 346501435 /nfs/dbraw/zinc/50/14/35/346501435.db2.gz VLMWDXODROLERW-HNNXBMFYSA-N 2 1 248.370 2.169 20 0 BEADMP C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000186330206 346501888 /nfs/dbraw/zinc/50/18/88/346501888.db2.gz WYEBNRITZBTHBZ-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000641809364 362767552 /nfs/dbraw/zinc/76/75/52/362767552.db2.gz WQSMRCGGTSETNN-MNOVXSKESA-N 2 1 240.297 2.180 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000104949686 346548781 /nfs/dbraw/zinc/54/87/81/346548781.db2.gz PANSLSQRYWQEGU-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP Cc1nccn1CCC[N@H+](C)C(C)(C)C ZINC000563614783 323131555 /nfs/dbraw/zinc/13/15/55/323131555.db2.gz FCPSZQAAARAHEK-UHFFFAOYSA-N 2 1 209.337 2.312 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C(C)(C)C ZINC000563614783 323131556 /nfs/dbraw/zinc/13/15/56/323131556.db2.gz FCPSZQAAARAHEK-UHFFFAOYSA-N 2 1 209.337 2.312 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)C(C)(C)C ZINC000563614783 323131557 /nfs/dbraw/zinc/13/15/57/323131557.db2.gz FCPSZQAAARAHEK-UHFFFAOYSA-N 2 1 209.337 2.312 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580715153 346658948 /nfs/dbraw/zinc/65/89/48/346658948.db2.gz QAFWTKYEMCEVRX-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP Cc1cccc(OCC[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000228202298 179168180 /nfs/dbraw/zinc/16/81/80/179168180.db2.gz IWDJZXHEHHTUFB-KBPBESRZSA-N 2 1 248.370 2.043 20 0 BEADMP Cc1cccc(OCC[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000131784838 179168445 /nfs/dbraw/zinc/16/84/45/179168445.db2.gz WWLCIKSNBIPCTD-KBPBESRZSA-N 2 1 248.370 2.043 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000387970946 347138353 /nfs/dbraw/zinc/13/83/53/347138353.db2.gz GBNXKDXUPSABQK-XHJNMGKDSA-N 2 1 224.392 2.351 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CCC23CCC3)CC1 ZINC000309649365 347130042 /nfs/dbraw/zinc/13/00/42/347130042.db2.gz NMZRSAVSIJSRFA-CYBMUJFWSA-N 2 1 222.376 2.393 20 0 BEADMP Cc1sccc1C[NH2+]CCc1c[nH+]cn1C ZINC000401765768 362779067 /nfs/dbraw/zinc/77/90/67/362779067.db2.gz YHJOBJIGGLAWSD-UHFFFAOYSA-N 2 1 235.356 2.122 20 0 BEADMP CC[C@@H](C[NH2+][C@H](C)CCCCO)[NH+]1CCCC1 ZINC000679332795 488340749 /nfs/dbraw/zinc/34/07/49/488340749.db2.gz YWIWQDUJCIGCSX-KGLIPLIRSA-N 2 1 242.407 2.002 20 0 BEADMP CCOCCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000388381466 347374213 /nfs/dbraw/zinc/37/42/13/347374213.db2.gz QAXWVZQROWMJFA-UHFFFAOYSA-N 2 1 240.391 2.020 20 0 BEADMP CCOCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590818945 347568803 /nfs/dbraw/zinc/56/88/03/347568803.db2.gz LAOHTNWHZIUJNM-UHFFFAOYSA-N 2 1 242.407 2.075 20 0 BEADMP Cc1ccccc1C[N@@H+](C)CCCC[NH3+] ZINC000036127821 179269729 /nfs/dbraw/zinc/26/97/29/179269729.db2.gz VXSUVZZPOHDWPV-UHFFFAOYSA-N 2 1 206.333 2.166 20 0 BEADMP CCS[C@@H]1CCCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000592477066 347791477 /nfs/dbraw/zinc/79/14/77/347791477.db2.gz QYLYNUMHGZSOEE-QWHCGFSZSA-N 2 1 242.432 2.204 20 0 BEADMP Cc1ccccc1OCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000011888572 179310579 /nfs/dbraw/zinc/31/05/79/179310579.db2.gz XAQGQQQDEWKYHO-CQSZACIVSA-N 2 1 248.370 2.045 20 0 BEADMP C[C@H](CC[N@H+](C)CCN)c1ccccc1 ZINC000054417261 347875885 /nfs/dbraw/zinc/87/58/85/347875885.db2.gz KMYCQXNRVJJXJJ-GFCCVEGCSA-N 2 1 206.333 2.071 20 0 BEADMP C[C@H](CC[N@@H+](C)CCN)c1ccccc1 ZINC000054417261 347875887 /nfs/dbraw/zinc/87/58/87/347875887.db2.gz KMYCQXNRVJJXJJ-GFCCVEGCSA-N 2 1 206.333 2.071 20 0 BEADMP C[C@H](CC[N@H+](C)CC[NH3+])c1ccccc1 ZINC000054417261 347875889 /nfs/dbraw/zinc/87/58/89/347875889.db2.gz KMYCQXNRVJJXJJ-GFCCVEGCSA-N 2 1 206.333 2.071 20 0 BEADMP C[C@H](CC[N@@H+](C)CC[NH3+])c1ccccc1 ZINC000054417261 347875890 /nfs/dbraw/zinc/87/58/90/347875890.db2.gz KMYCQXNRVJJXJJ-GFCCVEGCSA-N 2 1 206.333 2.071 20 0 BEADMP CC[C@H](C)[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000319604597 259399476 /nfs/dbraw/zinc/39/94/76/259399476.db2.gz WPSLGINHQLTJHZ-SDDRHHMPSA-N 2 1 200.370 2.384 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CSCCF)C1 ZINC000595010210 348159950 /nfs/dbraw/zinc/15/99/50/348159950.db2.gz IZPGPNKGEUGIND-NWDGAFQWSA-N 2 1 248.411 2.009 20 0 BEADMP C[C@H](CSCCF)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000595015917 348185828 /nfs/dbraw/zinc/18/58/28/348185828.db2.gz FEDNYMWKBFDATF-VXGBXAGGSA-N 2 1 248.411 2.009 20 0 BEADMP Cc1cncc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000397310602 362874883 /nfs/dbraw/zinc/87/48/83/362874883.db2.gz ORUHSGYKWBSUGU-YDHLFZDLSA-N 2 1 247.386 2.195 20 0 BEADMP Cc1cncc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000397310599 362874943 /nfs/dbraw/zinc/87/49/43/362874943.db2.gz ORUHSGYKWBSUGU-NFAWXSAZSA-N 2 1 247.386 2.195 20 0 BEADMP CC(C)(C)[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000257782418 535075715 /nfs/dbraw/zinc/07/57/15/535075715.db2.gz QLPVATVGLHXTPK-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP CCSC1(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000596650797 348606264 /nfs/dbraw/zinc/60/62/64/348606264.db2.gz KRFNHVMVVPCSQI-NEPJUHHUSA-N 2 1 242.432 2.392 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000401891423 348606698 /nfs/dbraw/zinc/60/66/98/348606698.db2.gz XOWLQZICZCUFHO-MBNYWOFBSA-N 2 1 235.375 2.377 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000038812866 348734485 /nfs/dbraw/zinc/73/44/85/348734485.db2.gz MRWADXJLYWZRTH-SGMGOOAPSA-N 2 1 218.344 2.417 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000082858364 348851844 /nfs/dbraw/zinc/85/18/44/348851844.db2.gz ORGQYIWVYGXRSF-MBNYWOFBSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000082858366 348851936 /nfs/dbraw/zinc/85/19/36/348851936.db2.gz ORGQYIWVYGXRSF-YRGRVCCFSA-N 2 1 224.392 2.495 20 0 BEADMP CSC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000598965327 349068633 /nfs/dbraw/zinc/06/86/33/349068633.db2.gz XZFGIMGPBLHBSB-MNOVXSKESA-N 2 1 230.421 2.200 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)C2CC2)C1 ZINC000250475319 349170884 /nfs/dbraw/zinc/17/08/84/349170884.db2.gz AHDNCOBMGLDNLK-VXGBXAGGSA-N 2 1 210.365 2.105 20 0 BEADMP CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000252685974 349210131 /nfs/dbraw/zinc/21/01/31/349210131.db2.gz IYTBJFSIMGWWNY-OCCSQVGLSA-N 2 1 248.370 2.397 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623524326 362944579 /nfs/dbraw/zinc/94/45/79/362944579.db2.gz OASJFEAYKRVBPG-UTUOFQBUSA-N 2 1 210.365 2.247 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCCCF)CC1(C)C ZINC000623529523 362948095 /nfs/dbraw/zinc/94/80/95/362948095.db2.gz MVPWSHJMPXTAFN-NSHDSACASA-N 2 1 216.344 2.199 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CC[C@@H](C)C2)C1 ZINC000070643535 350035840 /nfs/dbraw/zinc/03/58/40/350035840.db2.gz ALEZIGMLRIHGLW-RDBSUJKOSA-N 2 1 224.392 2.495 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@H](C[NH2+]C)C2)s1 ZINC000070798690 350059375 /nfs/dbraw/zinc/05/93/75/350059375.db2.gz WWQBRUGKYWUHCU-LLVKDONJSA-N 2 1 238.400 2.352 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC2CC(F)(F)C2)CC1(C)C ZINC000623530052 362949431 /nfs/dbraw/zinc/94/94/31/362949431.db2.gz LAUNDINRMYTWDS-NSHDSACASA-N 2 1 246.345 2.494 20 0 BEADMP CSC1(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000304248332 350150792 /nfs/dbraw/zinc/15/07/92/350150792.db2.gz GLOBHMGINKUYAG-GFCCVEGCSA-N 2 1 242.432 2.202 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(C)ccc2F)C1 ZINC000219960305 350152846 /nfs/dbraw/zinc/15/28/46/350152846.db2.gz BTCLATOCTOOLOC-GFCCVEGCSA-N 2 1 236.334 2.175 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(C)ccc2F)C1 ZINC000219960305 350152850 /nfs/dbraw/zinc/15/28/50/350152850.db2.gz BTCLATOCTOOLOC-GFCCVEGCSA-N 2 1 236.334 2.175 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC[N@@H+]1C ZINC000304424141 350156015 /nfs/dbraw/zinc/15/60/15/350156015.db2.gz AHHRONQSITVESW-ITGHMWBKSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC[N@H+]1C ZINC000304424141 350156019 /nfs/dbraw/zinc/15/60/19/350156019.db2.gz AHHRONQSITVESW-ITGHMWBKSA-N 2 1 222.376 2.247 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304531845 350161984 /nfs/dbraw/zinc/16/19/84/350161984.db2.gz HBHQISNRUMLMLV-FQUUOJAGSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)C(C)(C)C ZINC000314257777 350170692 /nfs/dbraw/zinc/17/06/92/350170692.db2.gz ATAINSBITLOKQL-LLVKDONJSA-N 2 1 223.364 2.377 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)[C@@H]1C ZINC000339570157 180234106 /nfs/dbraw/zinc/23/41/06/180234106.db2.gz QKMLIGCVFMANJA-NEPJUHHUSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000339570157 180234107 /nfs/dbraw/zinc/23/41/07/180234107.db2.gz QKMLIGCVFMANJA-NEPJUHHUSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1nccn1CCCC[N@@H+]1C[C@H](C)[C@@H]1C ZINC000339570159 180236456 /nfs/dbraw/zinc/23/64/56/180236456.db2.gz QKMLIGCVFMANJA-RYUDHWBXSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)[C@@H]1C ZINC000339570159 180236459 /nfs/dbraw/zinc/23/64/59/180236459.db2.gz QKMLIGCVFMANJA-RYUDHWBXSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)[C@@H]1C ZINC000339570159 180236460 /nfs/dbraw/zinc/23/64/60/180236460.db2.gz QKMLIGCVFMANJA-RYUDHWBXSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCC=CO1 ZINC000290404102 180237160 /nfs/dbraw/zinc/23/71/60/180237160.db2.gz JORJPRUGCUAEFE-AWEZNQCLSA-N 2 1 249.358 2.206 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCC=CO1 ZINC000290404102 180237162 /nfs/dbraw/zinc/23/71/62/180237162.db2.gz JORJPRUGCUAEFE-AWEZNQCLSA-N 2 1 249.358 2.206 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)C1(C)CC1 ZINC000309407484 180246633 /nfs/dbraw/zinc/24/66/33/180246633.db2.gz IBYHEVSKXOFYLX-LLVKDONJSA-N 2 1 221.348 2.360 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cccnc1 ZINC000271323579 180247416 /nfs/dbraw/zinc/24/74/16/180247416.db2.gz KNUUQEIXYPLENV-GFCCVEGCSA-N 2 1 244.342 2.327 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)CC1CCCC1 ZINC000336708457 180247757 /nfs/dbraw/zinc/24/77/57/180247757.db2.gz UKSFASCFKDTQAO-UHFFFAOYSA-N 2 1 221.348 2.314 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)CC1CCCC1 ZINC000336708457 180247760 /nfs/dbraw/zinc/24/77/60/180247760.db2.gz UKSFASCFKDTQAO-UHFFFAOYSA-N 2 1 221.348 2.314 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+]([C@@H](C)C1CC1)C1CC1 ZINC000346281263 180252331 /nfs/dbraw/zinc/25/23/31/180252331.db2.gz SPGZJRUPVKRFMW-NSHDSACASA-N 2 1 233.359 2.454 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000346281263 180252332 /nfs/dbraw/zinc/25/23/32/180252332.db2.gz SPGZJRUPVKRFMW-NSHDSACASA-N 2 1 233.359 2.454 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[C@H](C)C1 ZINC000049330053 180261339 /nfs/dbraw/zinc/26/13/39/180261339.db2.gz JBJZZWPAJRMDMI-AAEUAGOBSA-N 2 1 221.348 2.360 20 0 BEADMP CC(C)C1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC000054557523 1172123704 /nfs/dbraw/zinc/12/37/04/1172123704.db2.gz QLAHCAVGNQNQIC-OTTFEQOBSA-N 2 1 210.365 2.234 20 0 BEADMP CC(C)C1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC000054557523 1172123705 /nfs/dbraw/zinc/12/37/05/1172123705.db2.gz QLAHCAVGNQNQIC-OTTFEQOBSA-N 2 1 210.365 2.234 20 0 BEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H]1CCC=CO1 ZINC000194194111 180264556 /nfs/dbraw/zinc/26/45/56/180264556.db2.gz WAXIOVXVKVHZAQ-JSGCOSHPSA-N 2 1 249.358 2.110 20 0 BEADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cs1 ZINC000309297965 350270003 /nfs/dbraw/zinc/27/00/03/350270003.db2.gz LFOWATCHJSRIIF-GFCCVEGCSA-N 2 1 238.400 2.488 20 0 BEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CC(C)(C)C ZINC000105442656 180266533 /nfs/dbraw/zinc/26/65/33/180266533.db2.gz YJAVOSZQOVKWHM-NSHDSACASA-N 2 1 223.364 2.463 20 0 BEADMP CCOc1ccccc1[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000422780048 192464926 /nfs/dbraw/zinc/46/49/26/192464926.db2.gz JSCTURAHVSQZIM-LBPRGKRZSA-N 2 1 248.370 2.488 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000224116955 350309506 /nfs/dbraw/zinc/30/95/06/350309506.db2.gz RNTPZQVZSQFYDG-UHTWSYAYSA-N 2 1 210.365 2.247 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000224116955 350309508 /nfs/dbraw/zinc/30/95/08/350309508.db2.gz RNTPZQVZSQFYDG-UHTWSYAYSA-N 2 1 210.365 2.247 20 0 BEADMP Cc1ncsc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000126798658 180312855 /nfs/dbraw/zinc/31/28/55/180312855.db2.gz CRGATJWUYCUHOV-LLVKDONJSA-N 2 1 241.404 2.257 20 0 BEADMP Cc1ncsc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000126798658 180312858 /nfs/dbraw/zinc/31/28/58/180312858.db2.gz CRGATJWUYCUHOV-LLVKDONJSA-N 2 1 241.404 2.257 20 0 BEADMP CCCC[C@H](COC)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000163276888 350514946 /nfs/dbraw/zinc/51/49/46/350514946.db2.gz TVZCUCTWOKOXMN-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP C[NH2+]CCC[NH2+]Cc1coc2ccccc12 ZINC000163313624 350517263 /nfs/dbraw/zinc/51/72/63/350517263.db2.gz RDZHEUNXWOOYMJ-UHFFFAOYSA-N 2 1 218.300 2.132 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCC2CC2)[C@@H](C)C1 ZINC000222133604 490574827 /nfs/dbraw/zinc/57/48/27/490574827.db2.gz SVFYJPMEJDTZRF-AAEUAGOBSA-N 2 1 210.365 2.106 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1(C)C ZINC000623555184 362975388 /nfs/dbraw/zinc/97/53/88/362975388.db2.gz CAGLYZCELBHWON-RNJOBUHISA-N 2 1 222.376 2.247 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CC2(F)F)CC1(C)C ZINC000623570152 362999955 /nfs/dbraw/zinc/99/99/55/362999955.db2.gz JEADXLFZSUGSDX-CMPLNLGQSA-N 2 1 246.345 2.494 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@@H]2CC2(F)F)CC1(C)C ZINC000623575975 363006366 /nfs/dbraw/zinc/00/63/66/363006366.db2.gz YIPCNDXYUCEMRE-GHMZBOCLSA-N 2 1 246.345 2.494 20 0 BEADMP CC(C)[C@@H](C)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000348078404 535159538 /nfs/dbraw/zinc/15/95/38/535159538.db2.gz LAMJCSXKBSYTJB-CHWSQXEVSA-N 2 1 212.381 2.447 20 0 BEADMP CC(C)[C@@H](C)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000348078404 535159543 /nfs/dbraw/zinc/15/95/43/535159543.db2.gz LAMJCSXKBSYTJB-CHWSQXEVSA-N 2 1 212.381 2.447 20 0 BEADMP CC(C)[C@@H](C)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000348078404 535159544 /nfs/dbraw/zinc/15/95/44/535159544.db2.gz LAMJCSXKBSYTJB-CHWSQXEVSA-N 2 1 212.381 2.447 20 0 BEADMP [NH3+]CCC[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000414680854 351588504 /nfs/dbraw/zinc/58/85/04/351588504.db2.gz UVMSNISATVHOFI-CYBMUJFWSA-N 2 1 236.384 2.125 20 0 BEADMP CCC[C@H](C[N@@H+](C)C1CCN(CC)CC1)OC ZINC000637887701 351755149 /nfs/dbraw/zinc/75/51/49/351755149.db2.gz XSCIMTXSPWIHAS-CQSZACIVSA-N 2 1 242.407 2.218 20 0 BEADMP CCC[C@H](C[N@H+](C)C1CC[NH+](CC)CC1)OC ZINC000637887701 351755151 /nfs/dbraw/zinc/75/51/51/351755151.db2.gz XSCIMTXSPWIHAS-CQSZACIVSA-N 2 1 242.407 2.218 20 0 BEADMP CCC[C@H](C[N@@H+](C)C1CC[NH+](CC)CC1)OC ZINC000637887701 351755154 /nfs/dbraw/zinc/75/51/54/351755154.db2.gz XSCIMTXSPWIHAS-CQSZACIVSA-N 2 1 242.407 2.218 20 0 BEADMP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000638088986 351967286 /nfs/dbraw/zinc/96/72/86/351967286.db2.gz JDAJFYDKZSECPJ-GZBLMMOJSA-N 2 1 234.387 2.106 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000638088987 351967307 /nfs/dbraw/zinc/96/73/07/351967307.db2.gz JDAJFYDKZSECPJ-NIFZNCRKSA-N 2 1 234.387 2.106 20 0 BEADMP Cc1scc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000638185745 352050080 /nfs/dbraw/zinc/05/00/80/352050080.db2.gz AACAQCDBOVOTSZ-TXEJJXNPSA-N 2 1 236.384 2.016 20 0 BEADMP CO[C@](C)(C[NH2+]CCC[N@@H+](C)C(C)C)C1CC1 ZINC000638338521 352158917 /nfs/dbraw/zinc/15/89/17/352158917.db2.gz YALFBCWLRXMCAD-CQSZACIVSA-N 2 1 242.407 2.121 20 0 BEADMP C([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000638358335 352170311 /nfs/dbraw/zinc/17/03/11/352170311.db2.gz CDIOXWAXYKULJA-FQUUOJAGSA-N 2 1 234.387 2.106 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CC1(F)F ZINC000638361024 352171666 /nfs/dbraw/zinc/17/16/66/352171666.db2.gz ZHTKRSCRDQNMFE-JBLDHEPKSA-N 2 1 244.329 2.104 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@](C)(CC)OC)C1 ZINC000638408451 352214669 /nfs/dbraw/zinc/21/46/69/352214669.db2.gz BBOPGDHXXBXYLV-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000336653156 187647214 /nfs/dbraw/zinc/64/72/14/187647214.db2.gz FZYLVRLPFGTQPB-FQUUOJAGSA-N 2 1 224.392 2.338 20 0 BEADMP CC(C)(C)OCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252761148 538102476 /nfs/dbraw/zinc/10/24/76/538102476.db2.gz XHJKFHXMYOGRDK-OLZOCXBDSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1nc(C)c([C@@H](C)[NH2+]C2CC[NH2+]CC2)s1 ZINC000040518384 352603729 /nfs/dbraw/zinc/60/37/29/352603729.db2.gz INGHAOCOZYRKMB-SECBINFHSA-N 2 1 239.388 2.163 20 0 BEADMP Cc1nc(C)c([C@H](C)[NH2+]C2CC[NH2+]CC2)s1 ZINC000040518385 352603962 /nfs/dbraw/zinc/60/39/62/352603962.db2.gz INGHAOCOZYRKMB-VIFPVBQESA-N 2 1 239.388 2.163 20 0 BEADMP C[C@H](C[N@@H+]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000041271335 352605513 /nfs/dbraw/zinc/60/55/13/352605513.db2.gz XGELVAJDZJNKQI-GFCCVEGCSA-N 2 1 236.334 2.225 20 0 BEADMP C[C@H](C[N@H+]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000041271335 352605517 /nfs/dbraw/zinc/60/55/17/352605517.db2.gz XGELVAJDZJNKQI-GFCCVEGCSA-N 2 1 236.334 2.225 20 0 BEADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000044527773 352654480 /nfs/dbraw/zinc/65/44/80/352654480.db2.gz LTWJFRAEQGUMJN-AWEZNQCLSA-N 2 1 248.370 2.256 20 0 BEADMP CCOc1cccc(C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000044528032 352654540 /nfs/dbraw/zinc/65/45/40/352654540.db2.gz XLYCURWDHDANRG-CQSZACIVSA-N 2 1 248.370 2.256 20 0 BEADMP CC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334217493 352817837 /nfs/dbraw/zinc/81/78/37/352817837.db2.gz HGCXOSIFIKYVRS-KBPBESRZSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@H](C)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334217493 352817841 /nfs/dbraw/zinc/81/78/41/352817841.db2.gz HGCXOSIFIKYVRS-KBPBESRZSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@H]1C[N@H+](C)C[C@H]1NCc1cc(F)cc(F)c1 ZINC000334267987 352903802 /nfs/dbraw/zinc/90/38/02/352903802.db2.gz OFEGHOZTAWSKLH-TVQRCGJNSA-N 2 1 240.297 2.005 20 0 BEADMP C[C@H]1C[N@@H+](C)C[C@H]1NCc1cc(F)cc(F)c1 ZINC000334267987 352903805 /nfs/dbraw/zinc/90/38/05/352903805.db2.gz OFEGHOZTAWSKLH-TVQRCGJNSA-N 2 1 240.297 2.005 20 0 BEADMP Cc1[nH+]ccc(N2CC[N@H+](C)C[C@@H]2C)c1Cl ZINC000334336182 352971463 /nfs/dbraw/zinc/97/14/63/352971463.db2.gz RWEHMOKWKWBSEF-VIFPVBQESA-N 2 1 239.750 2.184 20 0 BEADMP C[C@@H]1Cc2ccccc2C[N@@H+]1CC(C)(C)[NH3+] ZINC000334318872 352949436 /nfs/dbraw/zinc/94/94/36/352949436.db2.gz XCTCCTFMUYCBOT-LLVKDONJSA-N 2 1 218.344 2.171 20 0 BEADMP C[C@@H]1Cc2ccccc2C[N@H+]1CC(C)(C)[NH3+] ZINC000334318872 352949439 /nfs/dbraw/zinc/94/94/39/352949439.db2.gz XCTCCTFMUYCBOT-LLVKDONJSA-N 2 1 218.344 2.171 20 0 BEADMP CCCCOCC[N@@H+](C)CCCn1ccnc1 ZINC000341142379 188043791 /nfs/dbraw/zinc/04/37/91/188043791.db2.gz YAPYPIXWTBQYMS-UHFFFAOYSA-N 2 1 239.363 2.022 20 0 BEADMP CC[NH2+]CC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000414846603 259434101 /nfs/dbraw/zinc/43/41/01/259434101.db2.gz NQXNOSCONBGOCK-UHFFFAOYSA-N 2 1 238.297 2.307 20 0 BEADMP CC(C)C[C@H](C)C[N@@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000300987393 188043091 /nfs/dbraw/zinc/04/30/91/188043091.db2.gz VBERXDRECRSPLG-IHRRRGAJSA-N 2 1 224.392 2.352 20 0 BEADMP COc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000070533451 188047736 /nfs/dbraw/zinc/04/77/36/188047736.db2.gz RWFPAYTWSTWHSG-ZDUSSCGKSA-N 2 1 248.370 2.256 20 0 BEADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000062050565 188050409 /nfs/dbraw/zinc/05/04/09/188050409.db2.gz KZJNDPSZCZYTPG-RISCZKNCSA-N 2 1 236.334 2.098 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)C2CCC2)C1 ZINC000336768278 353279179 /nfs/dbraw/zinc/27/91/79/353279179.db2.gz QSIOFSOHALNVRB-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP C1C[N@@H+]2CCCC[C@H]2[C@H]1[NH2+]C1CCSCC1 ZINC000036997089 188254781 /nfs/dbraw/zinc/25/47/81/188254781.db2.gz ZEYQMBAQXSVVBQ-STQMWFEESA-N 2 1 240.416 2.098 20 0 BEADMP C1C[N@H+]2CCCC[C@H]2[C@H]1[NH2+]C1CCSCC1 ZINC000036997089 188254783 /nfs/dbraw/zinc/25/47/83/188254783.db2.gz ZEYQMBAQXSVVBQ-STQMWFEESA-N 2 1 240.416 2.098 20 0 BEADMP C(C[N@H+]1CCC2(CCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000335663574 188256458 /nfs/dbraw/zinc/25/64/58/188256458.db2.gz NVFKDLMGDXQTIX-CYBMUJFWSA-N 2 1 222.376 2.252 20 0 BEADMP Cc1ccc(F)c(C[NH2+]C[C@H](C)C[NH+](C)C)c1 ZINC000291706216 188267913 /nfs/dbraw/zinc/26/79/13/188267913.db2.gz KULDLDVSQFMBRG-LBPRGKRZSA-N 2 1 238.350 2.421 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](C)c1ccccc1 ZINC000252683931 353303539 /nfs/dbraw/zinc/30/35/39/353303539.db2.gz FNKILNQUMLSMIB-ZFWWWQNUSA-N 2 1 232.371 2.474 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H](C)c1ccccc1 ZINC000252683931 353303541 /nfs/dbraw/zinc/30/35/41/353303541.db2.gz FNKILNQUMLSMIB-ZFWWWQNUSA-N 2 1 232.371 2.474 20 0 BEADMP CC(C)(C)[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000252876158 353313024 /nfs/dbraw/zinc/31/30/24/353313024.db2.gz WCENZTRHPDZKQW-QWHCGFSZSA-N 2 1 224.392 2.354 20 0 BEADMP CC(C)C[C@H](C)[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000336682872 188341710 /nfs/dbraw/zinc/34/17/10/188341710.db2.gz SCRKBPJULJUBNY-WDEREUQCSA-N 2 1 221.348 2.291 20 0 BEADMP [NH3+][C@H](C[NH2+][C@H](c1cccnc1)C1CCC1)C1CC1 ZINC000571669587 353493400 /nfs/dbraw/zinc/49/34/00/353493400.db2.gz CJPZVXGRNMJDAK-CABCVRRESA-N 2 1 245.370 2.250 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000353565941 188393485 /nfs/dbraw/zinc/39/34/85/188393485.db2.gz LIJUMCJNDWOTAO-STQMWFEESA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000353565941 188393487 /nfs/dbraw/zinc/39/34/87/188393487.db2.gz LIJUMCJNDWOTAO-STQMWFEESA-N 2 1 242.407 2.120 20 0 BEADMP CC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000094927765 353518859 /nfs/dbraw/zinc/51/88/59/353518859.db2.gz LFMUPRACUJWNTB-AWEZNQCLSA-N 2 1 233.359 2.046 20 0 BEADMP CC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000094927765 353518861 /nfs/dbraw/zinc/51/88/61/353518861.db2.gz LFMUPRACUJWNTB-AWEZNQCLSA-N 2 1 233.359 2.046 20 0 BEADMP CC[C@H]1C[C@H](C)C[N@H+]1CCCn1ccnc1 ZINC000343306100 353524809 /nfs/dbraw/zinc/52/48/09/353524809.db2.gz UPDMOSXZSHPAFQ-STQMWFEESA-N 2 1 221.348 2.394 20 0 BEADMP CC[C@@](C)(C[N@H+]1CCC[C@H]([NH+](C)C)CC1)OC ZINC000639106205 353621613 /nfs/dbraw/zinc/62/16/13/353621613.db2.gz XBUPFOKVWHUAPX-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP CCC[C@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)OC ZINC000639106239 353612859 /nfs/dbraw/zinc/61/28/59/353612859.db2.gz XLRLXKYMIRCJJE-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH2+][C@H](C)C[NH2+][C@H](C)Cc1ccsc1 ZINC000577940476 366114197 /nfs/dbraw/zinc/11/41/97/366114197.db2.gz XLIHNFQUPKZKDX-GHMZBOCLSA-N 2 1 226.389 2.267 20 0 BEADMP C[C@H](c1ccncc1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000220425229 353836505 /nfs/dbraw/zinc/83/65/05/353836505.db2.gz LUNNIFRTPGFKIL-CHWSQXEVSA-N 2 1 233.359 2.074 20 0 BEADMP C[C@H](c1ccncc1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000220425229 353836507 /nfs/dbraw/zinc/83/65/07/353836507.db2.gz LUNNIFRTPGFKIL-CHWSQXEVSA-N 2 1 233.359 2.074 20 0 BEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CCSC1 ZINC000343610576 353933219 /nfs/dbraw/zinc/93/32/19/353933219.db2.gz YHJFIHWMUYOESA-ZDUSSCGKSA-N 2 1 242.432 2.157 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000639165370 354015850 /nfs/dbraw/zinc/01/58/50/354015850.db2.gz GWLDAEFBNRMVBU-UONOGXRCSA-N 2 1 240.391 2.020 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000639165370 354015852 /nfs/dbraw/zinc/01/58/52/354015852.db2.gz GWLDAEFBNRMVBU-UONOGXRCSA-N 2 1 240.391 2.020 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000343985896 354060699 /nfs/dbraw/zinc/06/06/99/354060699.db2.gz MRVGRZSUGRSVHZ-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000343985896 354060700 /nfs/dbraw/zinc/06/07/00/354060700.db2.gz MRVGRZSUGRSVHZ-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CC(F)(F)C1 ZINC000529548275 324336864 /nfs/dbraw/zinc/33/68/64/324336864.db2.gz KFQZUIFTMAEQBX-GHMZBOCLSA-N 2 1 246.345 2.352 20 0 BEADMP CC[N@@H+](CC1CCC1)[C@H]1CCC[NH2+]CC1 ZINC000231671189 363348046 /nfs/dbraw/zinc/34/80/46/363348046.db2.gz QBLDSCHIDPKRGB-ZDUSSCGKSA-N 2 1 210.365 2.251 20 0 BEADMP CC[C@](C)(C[N@@H+](C)[C@H]1CCN(C)C[C@@H]1C)OC ZINC000639179543 354272680 /nfs/dbraw/zinc/27/26/80/354272680.db2.gz UCTSGLMUNNYPBY-MELADBBJSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@](C)(C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)OC ZINC000639179543 354272682 /nfs/dbraw/zinc/27/26/82/354272682.db2.gz UCTSGLMUNNYPBY-MELADBBJSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@](C)(C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)OC ZINC000639179543 354272685 /nfs/dbraw/zinc/27/26/85/354272685.db2.gz UCTSGLMUNNYPBY-MELADBBJSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@](C)(C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C)OC ZINC000639179543 354272690 /nfs/dbraw/zinc/27/26/90/354272690.db2.gz UCTSGLMUNNYPBY-MELADBBJSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@](C)(C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C)OC ZINC000639179543 354272692 /nfs/dbraw/zinc/27/26/92/354272692.db2.gz UCTSGLMUNNYPBY-MELADBBJSA-N 2 1 242.407 2.074 20 0 BEADMP CCOC1CC(C[NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000639188414 354394561 /nfs/dbraw/zinc/39/45/61/354394561.db2.gz JILXNBGEIGDNAB-HSBZDZAISA-N 2 1 242.407 2.120 20 0 BEADMP CCOC1CC(C[NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000639188414 354394563 /nfs/dbraw/zinc/39/45/63/354394563.db2.gz JILXNBGEIGDNAB-HSBZDZAISA-N 2 1 242.407 2.120 20 0 BEADMP Cc1nccn1CC[N@H+]1CCCC(C)(C)C1 ZINC000334684499 354430401 /nfs/dbraw/zinc/43/04/01/354430401.db2.gz XGTMLZZOZWQIQI-UHFFFAOYSA-N 2 1 221.348 2.314 20 0 BEADMP Cc1cc[nH+]c(N2CCC([NH2+]C(C)C)CC2)c1 ZINC000334764206 354584885 /nfs/dbraw/zinc/58/48/85/354584885.db2.gz QHRUHJQRQVPRGI-UHFFFAOYSA-N 2 1 233.359 2.357 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+]CCC[C@@H]1CCO1 ZINC000639198140 354600035 /nfs/dbraw/zinc/60/00/35/354600035.db2.gz NUAOJFIMYOWEEP-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]CCC[C@@H]1CCO1 ZINC000639198140 354600038 /nfs/dbraw/zinc/60/00/38/354600038.db2.gz NUAOJFIMYOWEEP-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP C[NH+](C)C1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000335107020 354691957 /nfs/dbraw/zinc/69/19/57/354691957.db2.gz HLVKSTHAOVHBJT-NSHDSACASA-N 2 1 246.345 2.448 20 0 BEADMP C[C@H]1C[C@H](Nc2cc3c(c[nH+]2)CCC3)CC[N@@H+]1C ZINC000639211386 354751798 /nfs/dbraw/zinc/75/17/98/354751798.db2.gz UBERYVMGQJYFFI-SMDDNHRTSA-N 2 1 245.370 2.465 20 0 BEADMP C[C@H]1C[C@H](Nc2cc3c(c[nH+]2)CCC3)CC[N@H+]1C ZINC000639211386 354751804 /nfs/dbraw/zinc/75/18/04/354751804.db2.gz UBERYVMGQJYFFI-SMDDNHRTSA-N 2 1 245.370 2.465 20 0 BEADMP CC1CC([NH2+]C[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000232832551 363384574 /nfs/dbraw/zinc/38/45/74/363384574.db2.gz VWAURMKFFHCSKW-HTAVTVPLSA-N 2 1 210.365 2.153 20 0 BEADMP COc1ccc([C@@H](C)C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000346075953 354857817 /nfs/dbraw/zinc/85/78/17/354857817.db2.gz AFIAILZXAMZBGF-GXTWGEPZSA-N 2 1 248.370 2.222 20 0 BEADMP COc1ccc([C@@H](C)C[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000346075953 354857820 /nfs/dbraw/zinc/85/78/20/354857820.db2.gz AFIAILZXAMZBGF-GXTWGEPZSA-N 2 1 248.370 2.222 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)C(C1CC1)C1CC1 ZINC000346312158 354892913 /nfs/dbraw/zinc/89/29/13/354892913.db2.gz OPLALGMVFSVACO-UHFFFAOYSA-N 2 1 233.359 2.312 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)C(C1CC1)C1CC1 ZINC000346312158 354892914 /nfs/dbraw/zinc/89/29/14/354892914.db2.gz OPLALGMVFSVACO-UHFFFAOYSA-N 2 1 233.359 2.312 20 0 BEADMP F[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000335169424 354931947 /nfs/dbraw/zinc/93/19/47/354931947.db2.gz KQNDLTASUMAFRC-PWSUYJOCSA-N 2 1 226.339 2.093 20 0 BEADMP C1CC2(CCCC2)[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000335177546 354947804 /nfs/dbraw/zinc/94/78/04/354947804.db2.gz IRNSGHPRAMGQNC-RYUDHWBXSA-N 2 1 208.349 2.051 20 0 BEADMP Cc1csc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000335164183 354950796 /nfs/dbraw/zinc/95/07/96/354950796.db2.gz OTTVKAJQHHAZLT-GHMZBOCLSA-N 2 1 210.346 2.026 20 0 BEADMP Cc1ccc(F)c(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000335192070 355025139 /nfs/dbraw/zinc/02/51/39/355025139.db2.gz GSHOKQQNSVILEH-OKILXGFUSA-N 2 1 248.345 2.128 20 0 BEADMP c1ccc2c(c1)CCC([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC000335181380 355078560 /nfs/dbraw/zinc/07/85/60/355078560.db2.gz PMLPLVKXCFTFDE-INIZCTEOSA-N 2 1 244.382 2.276 20 0 BEADMP CC[N@H+](Cc1ccc(OC)cc1)CC(C)(C)[NH3+] ZINC000346844711 355134789 /nfs/dbraw/zinc/13/47/89/355134789.db2.gz JQLXANVYOZBIEP-UHFFFAOYSA-N 2 1 236.359 2.254 20 0 BEADMP CC[N@@H+](Cc1ccc(OC)cc1)CC(C)(C)[NH3+] ZINC000346844711 355134793 /nfs/dbraw/zinc/13/47/93/355134793.db2.gz JQLXANVYOZBIEP-UHFFFAOYSA-N 2 1 236.359 2.254 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H](C)C1 ZINC000346972748 355208253 /nfs/dbraw/zinc/20/82/53/355208253.db2.gz HXPYBTDNWFWDFX-HZSPNIEDSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@H]1Cc2ccccc2C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346975494 355208878 /nfs/dbraw/zinc/20/88/78/355208878.db2.gz JEOZXBLISFPACL-UONOGXRCSA-N 2 1 244.382 2.433 20 0 BEADMP CC[C@]1(C)CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346977891 355211639 /nfs/dbraw/zinc/21/16/39/355211639.db2.gz NECZOWBPQOIPNF-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP Fc1ccc2c(c1)C[N@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000335241755 355176458 /nfs/dbraw/zinc/17/64/58/355176458.db2.gz PPEJIUGAWFHUOI-LBPRGKRZSA-N 2 1 248.345 2.183 20 0 BEADMP CC(C)([NH3+])C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000347012180 355204544 /nfs/dbraw/zinc/20/45/44/355204544.db2.gz UYOAZLTWTJTVMR-ZDUSSCGKSA-N 2 1 248.370 2.125 20 0 BEADMP CC(C)([NH3+])C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000347012180 355204548 /nfs/dbraw/zinc/20/45/48/355204548.db2.gz UYOAZLTWTJTVMR-ZDUSSCGKSA-N 2 1 248.370 2.125 20 0 BEADMP C[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@H]1CC1(F)F ZINC000639241409 355227070 /nfs/dbraw/zinc/22/70/70/355227070.db2.gz FOZNLMZLDYFQNW-GHMZBOCLSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@H]1CC1(F)F ZINC000639241409 355227075 /nfs/dbraw/zinc/22/70/75/355227075.db2.gz FOZNLMZLDYFQNW-GHMZBOCLSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CS1 ZINC000639244745 355248582 /nfs/dbraw/zinc/24/85/82/355248582.db2.gz OQLHIIMSVQKORD-VXGBXAGGSA-N 2 1 242.432 2.344 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC000113514766 355250893 /nfs/dbraw/zinc/25/08/93/355250893.db2.gz SFJDRNRTMLBNEJ-GFCCVEGCSA-N 2 1 212.381 2.306 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC000113514767 355251054 /nfs/dbraw/zinc/25/10/54/355251054.db2.gz SFJDRNRTMLBNEJ-LBPRGKRZSA-N 2 1 212.381 2.306 20 0 BEADMP [NH3+]CC1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000335288313 355258551 /nfs/dbraw/zinc/25/85/51/355258551.db2.gz XMPVHZBIFYYHTL-UHFFFAOYSA-N 2 1 247.367 2.471 20 0 BEADMP CCC[C@H](C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)OC ZINC000639256577 355299576 /nfs/dbraw/zinc/29/95/76/355299576.db2.gz CQUBRVKMGDWTJC-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639256712 355300143 /nfs/dbraw/zinc/30/01/43/355300143.db2.gz DUJPVZQWXUBQDH-APIJFGDWSA-N 2 1 236.403 2.354 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414783683 191567706 /nfs/dbraw/zinc/56/77/06/191567706.db2.gz QIRTVPPXCGCHHO-KGLIPLIRSA-N 2 1 224.392 2.354 20 0 BEADMP CC(C)CCC[NH2+][C@H](C[NH3+])CC(C)C ZINC000414834695 191594076 /nfs/dbraw/zinc/59/40/76/191594076.db2.gz GXWABHMTWXJFEJ-LBPRGKRZSA-N 2 1 200.370 2.386 20 0 BEADMP [NH3+][C@@H](C[NH2+]Cc1ccc2ncccc2c1)C1CC1 ZINC000414883968 191614699 /nfs/dbraw/zinc/61/46/99/191614699.db2.gz AMZUBZNNWSXPKJ-AWEZNQCLSA-N 2 1 241.338 2.062 20 0 BEADMP Cc1cc(F)ccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000215965363 355622024 /nfs/dbraw/zinc/62/20/24/355622024.db2.gz DMRVSFGPYCYWEG-NWDGAFQWSA-N 2 1 236.334 2.303 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCCOC ZINC000353986612 355747882 /nfs/dbraw/zinc/74/78/82/355747882.db2.gz JZTGXDZHBUIQAE-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCCOC ZINC000353986612 355747886 /nfs/dbraw/zinc/74/78/86/355747886.db2.gz JZTGXDZHBUIQAE-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP COC[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000608494921 355820767 /nfs/dbraw/zinc/82/07/67/355820767.db2.gz LXSKKLBSEFKDAW-ZDUSSCGKSA-N 2 1 242.407 2.074 20 0 BEADMP C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000166716303 355829236 /nfs/dbraw/zinc/82/92/36/355829236.db2.gz LESAHKZIPUPBGK-ZOBORPQBSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H](CC[N@H+]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000216161056 355910953 /nfs/dbraw/zinc/91/09/53/355910953.db2.gz KRYJPHUVKDNLFB-KBPBESRZSA-N 2 1 232.371 2.461 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000351471952 355996118 /nfs/dbraw/zinc/99/61/18/355996118.db2.gz NIIQRMBMUPKVHS-BZPMIXESSA-N 2 1 232.327 2.191 20 0 BEADMP CCC(C)(C)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351494623 356001969 /nfs/dbraw/zinc/00/19/69/356001969.db2.gz OLTYAYQOPFGGGH-AVGNSLFASA-N 2 1 224.392 2.482 20 0 BEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1C[C@H]1C ZINC000351232413 355965019 /nfs/dbraw/zinc/96/50/19/355965019.db2.gz XWSUUNCHDFJHKY-RQJABVFESA-N 2 1 222.376 2.201 20 0 BEADMP COc1cc(C)ccc1C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000422872726 192493851 /nfs/dbraw/zinc/49/38/51/192493851.db2.gz IKOWHEBHMJXTGU-OLZOCXBDSA-N 2 1 248.370 2.091 20 0 BEADMP Cc1ccc(C[C@@H]2CCC[N@@H+]2C[C@@H](C)[NH3+])cc1 ZINC000420298200 192204264 /nfs/dbraw/zinc/20/42/64/192204264.db2.gz GZTWYGZGJVVCHT-HIFRSBDPSA-N 2 1 232.371 2.349 20 0 BEADMP C[NH2+]C1CC[NH+](CCCc2ccsc2)CC1 ZINC000420296700 192204279 /nfs/dbraw/zinc/20/42/79/192204279.db2.gz QPJFLVVALSAURH-UHFFFAOYSA-N 2 1 238.400 2.365 20 0 BEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCCCCF ZINC000420296899 192204583 /nfs/dbraw/zinc/20/45/83/192204583.db2.gz CMKNJAJRSMVORG-LLVKDONJSA-N 2 1 204.333 2.089 20 0 BEADMP CCc1cccc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)c1 ZINC000420297065 192204690 /nfs/dbraw/zinc/20/46/90/192204690.db2.gz QVVIJBGNEFSLDM-HNNXBMFYSA-N 2 1 232.371 2.290 20 0 BEADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCCCCF ZINC000420296900 192205576 /nfs/dbraw/zinc/20/55/76/192205576.db2.gz CMKNJAJRSMVORG-NSHDSACASA-N 2 1 204.333 2.089 20 0 BEADMP C[C@H](C1CC1)[N@@H+](CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000420300004 192206511 /nfs/dbraw/zinc/20/65/11/192206511.db2.gz GYGXXYQIUXBBIK-VXGBXAGGSA-N 2 1 222.376 2.249 20 0 BEADMP CC[N@@H+](CCOCC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000420319550 192195309 /nfs/dbraw/zinc/19/53/09/192195309.db2.gz XRXUTRAEALSINY-AWEZNQCLSA-N 2 1 242.407 2.123 20 0 BEADMP CCc1cccc(C[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC000420278447 192198414 /nfs/dbraw/zinc/19/84/14/192198414.db2.gz VQBFWKCFAHCMOU-UHFFFAOYSA-N 2 1 232.371 2.433 20 0 BEADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)C1Cc2ccccc2C1 ZINC000420303522 192206648 /nfs/dbraw/zinc/20/66/48/192206648.db2.gz KMZDCWKHADVWBW-ZDUSSCGKSA-N 2 1 244.382 2.085 20 0 BEADMP CC(C)[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000420301728 192206718 /nfs/dbraw/zinc/20/67/18/192206718.db2.gz IXLRBYULZNJEGU-GFCCVEGCSA-N 2 1 210.365 2.249 20 0 BEADMP CCc1cccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000420302423 192206725 /nfs/dbraw/zinc/20/67/25/192206725.db2.gz GAXPOEPHCSXRPQ-DOMZBBRYSA-N 2 1 232.371 2.418 20 0 BEADMP CC[C@@]1(C)CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420313589 192213484 /nfs/dbraw/zinc/21/34/84/192213484.db2.gz YDEUDSHVFBQQLP-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP CC(C)COCC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420358164 192218781 /nfs/dbraw/zinc/21/87/81/192218781.db2.gz FBBDHASOZZJPEA-AWEZNQCLSA-N 2 1 242.407 2.156 20 0 BEADMP C[N@@H+](CCCCC(F)(F)F)C1CC([NH3+])C1 ZINC000420340804 192216509 /nfs/dbraw/zinc/21/65/09/192216509.db2.gz ULOSNRWHHKRJAL-UHFFFAOYSA-N 2 1 224.270 2.141 20 0 BEADMP C(C[N@H+]1CCC[C@@H]1C1CCC1)[C@@H]1CC[NH2+]C1 ZINC000420306638 192209784 /nfs/dbraw/zinc/20/97/84/192209784.db2.gz QREMSUZPLMMJRH-GXTWGEPZSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000420310956 192210408 /nfs/dbraw/zinc/21/04/08/192210408.db2.gz VMAGIFXIGLEBBK-YDHLFZDLSA-N 2 1 232.371 2.287 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000420310955 192210514 /nfs/dbraw/zinc/21/05/14/192210514.db2.gz VMAGIFXIGLEBBK-KCQAQPDRSA-N 2 1 232.371 2.287 20 0 BEADMP CC(C)[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCS1 ZINC000420314102 192212251 /nfs/dbraw/zinc/21/22/51/192212251.db2.gz YSVUWFCXCCTVGV-CHWSQXEVSA-N 2 1 242.432 2.059 20 0 BEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@H](C)C2)cc1 ZINC000420317669 192212968 /nfs/dbraw/zinc/21/29/68/192212968.db2.gz NPZDNQOBOLFFPA-TZMCWYRMSA-N 2 1 248.370 2.079 20 0 BEADMP CN(C)c1ccccc1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420369909 192227171 /nfs/dbraw/zinc/22/71/71/192227171.db2.gz VFZNUQNABZEXHB-AWEZNQCLSA-N 2 1 249.402 2.216 20 0 BEADMP CC(C)[N@@H+](CC[C@H]1CC[NH2+]C1)CC1CCC1 ZINC000420370553 192228007 /nfs/dbraw/zinc/22/80/07/192228007.db2.gz JNYQRZWIKNHAGC-CYBMUJFWSA-N 2 1 224.392 2.497 20 0 BEADMP COc1cccc(CCC[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000420326262 192229244 /nfs/dbraw/zinc/22/92/44/192229244.db2.gz DSJFKQDERILQHO-UHFFFAOYSA-N 2 1 248.370 2.049 20 0 BEADMP CC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)C1CC1 ZINC000420326243 192230393 /nfs/dbraw/zinc/23/03/93/192230393.db2.gz XAMRXKFARCAMPQ-ZDUSSCGKSA-N 2 1 248.370 2.222 20 0 BEADMP C[C@@H]1CCCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420364054 192223500 /nfs/dbraw/zinc/22/35/00/192223500.db2.gz CLTBCXGPIAAXRB-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000420362880 192224055 /nfs/dbraw/zinc/22/40/55/192224055.db2.gz ZPLMEDFYPUEFPC-AXFHLTTASA-N 2 1 232.318 2.233 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000420362880 192224057 /nfs/dbraw/zinc/22/40/57/192224057.db2.gz ZPLMEDFYPUEFPC-AXFHLTTASA-N 2 1 232.318 2.233 20 0 BEADMP c1cc([C@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)ccn1 ZINC000420363490 192224303 /nfs/dbraw/zinc/22/43/03/192224303.db2.gz PHBXAVVNPDHRNG-UKRRQHHQSA-N 2 1 245.370 2.218 20 0 BEADMP C[NH2+]CCC[N@@H+](C)CCCc1cccc(F)c1 ZINC000420383746 192235603 /nfs/dbraw/zinc/23/56/03/192235603.db2.gz CINKMBJAWQCALW-UHFFFAOYSA-N 2 1 238.350 2.300 20 0 BEADMP CCSCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420396046 192236575 /nfs/dbraw/zinc/23/65/75/192236575.db2.gz LMJMOSBNDFBCIT-OLZOCXBDSA-N 2 1 242.432 2.204 20 0 BEADMP [NH3+]CC[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000420392463 192236873 /nfs/dbraw/zinc/23/68/73/192236873.db2.gz BNFBQJFAKYRQQM-LSDHHAIUSA-N 2 1 232.371 2.336 20 0 BEADMP CCSCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420396047 192237544 /nfs/dbraw/zinc/23/75/44/192237544.db2.gz LMJMOSBNDFBCIT-QWHCGFSZSA-N 2 1 242.432 2.204 20 0 BEADMP CC(C)[N@@H+](C)CC1CC[NH+](CC2CC2)CC1 ZINC000532421422 356420266 /nfs/dbraw/zinc/42/02/66/356420266.db2.gz FRWGGLNYKMBWEL-UHFFFAOYSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCCCCF ZINC000420375586 192232349 /nfs/dbraw/zinc/23/23/49/192232349.db2.gz TYUXZJYKCWQWIP-WOPDTQHZSA-N 2 1 216.344 2.102 20 0 BEADMP CCOc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC000020521654 356489201 /nfs/dbraw/zinc/48/92/01/356489201.db2.gz YCAIZWQAKZVILB-UHFFFAOYSA-N 2 1 234.343 2.008 20 0 BEADMP CCc1ccc(C[NH2+]CCC[NH+](CC)CC)cn1 ZINC000352240819 134118238 /nfs/dbraw/zinc/11/82/38/134118238.db2.gz JKBHDJSCACPVOH-UHFFFAOYSA-N 2 1 249.402 2.466 20 0 BEADMP CCCCOCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249904792 535312819 /nfs/dbraw/zinc/31/28/19/535312819.db2.gz XTPIKNBNZCNBEZ-KGLIPLIRSA-N 2 1 240.391 2.020 20 0 BEADMP CCCCOCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000249613224 535313340 /nfs/dbraw/zinc/31/33/40/535313340.db2.gz IFZFBRCSFFJZCR-HZSPNIEDSA-N 2 1 242.407 2.121 20 0 BEADMP CCOC1CC([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC000449777993 202031491 /nfs/dbraw/zinc/03/14/91/202031491.db2.gz AOOSCSNJSNXFOJ-UHFFFAOYSA-N 2 1 240.391 2.018 20 0 BEADMP CCOC1CC([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC000449777993 202031492 /nfs/dbraw/zinc/03/14/92/202031492.db2.gz AOOSCSNJSNXFOJ-UHFFFAOYSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1c[nH+]ccc1N ZINC000423064521 192556436 /nfs/dbraw/zinc/55/64/36/192556436.db2.gz RNODIVZCJBCJTD-OUAUKWLOSA-N 2 1 219.332 2.333 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757066 356664256 /nfs/dbraw/zinc/66/42/56/356664256.db2.gz FANOKISXSYABJS-CHWSQXEVSA-N 2 1 222.376 2.060 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758874 356669620 /nfs/dbraw/zinc/66/96/20/356669620.db2.gz YADCCLDJCUREBW-ZDUSSCGKSA-N 2 1 224.392 2.450 20 0 BEADMP CCc1cc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc[nH+]1 ZINC000450373552 202144403 /nfs/dbraw/zinc/14/44/03/202144403.db2.gz CSHDLHDSVVURMK-RISCZKNCSA-N 2 1 245.370 2.103 20 0 BEADMP Cn1c[nH+]cc1CCC[NH+](CC1CC1)CC1CC1 ZINC000582249685 356683275 /nfs/dbraw/zinc/68/32/75/356683275.db2.gz VNRDEPORTOQPET-UHFFFAOYSA-N 2 1 247.386 2.475 20 0 BEADMP CC[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000036169798 356706883 /nfs/dbraw/zinc/70/68/83/356706883.db2.gz SYOPIZOXFYVSRG-CYBMUJFWSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623357485 356794908 /nfs/dbraw/zinc/79/49/08/356794908.db2.gz RIPIJAAQJCFTGN-UTUOFQBUSA-N 2 1 210.365 2.105 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCCO2)CC1(C)C ZINC000623353642 356781544 /nfs/dbraw/zinc/78/15/44/356781544.db2.gz SCFYAGVAKYUVQI-QWHCGFSZSA-N 2 1 240.391 2.018 20 0 BEADMP CCc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)s1 ZINC000019843415 356901591 /nfs/dbraw/zinc/90/15/91/356901591.db2.gz ZHOBWWOMZJERAV-LLVKDONJSA-N 2 1 238.400 2.481 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261550466 535351038 /nfs/dbraw/zinc/35/10/38/535351038.db2.gz PLYFTMNKMOBEGE-VXGBXAGGSA-N 2 1 212.381 2.482 20 0 BEADMP C[NH2+]CCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000423200321 192625475 /nfs/dbraw/zinc/62/54/75/192625475.db2.gz LUSUGARABKPXMZ-CYBMUJFWSA-N 2 1 234.343 2.099 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+]CC1(C)CC1 ZINC000389913344 357066662 /nfs/dbraw/zinc/06/66/62/357066662.db2.gz KBRRTBCFEAUJGX-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]CC1(C)CC1 ZINC000389913344 357066665 /nfs/dbraw/zinc/06/66/65/357066665.db2.gz KBRRTBCFEAUJGX-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccncc2C)C1 ZINC000582400857 357132753 /nfs/dbraw/zinc/13/27/53/357132753.db2.gz YQUOJMXXKWSREC-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccncc2C)C1 ZINC000582400857 357132756 /nfs/dbraw/zinc/13/27/56/357132756.db2.gz YQUOJMXXKWSREC-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccncc2C)C1 ZINC000582400857 357132760 /nfs/dbraw/zinc/13/27/60/357132760.db2.gz YQUOJMXXKWSREC-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccncc2C)C1 ZINC000582400857 357132762 /nfs/dbraw/zinc/13/27/62/357132762.db2.gz YQUOJMXXKWSREC-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccncc2C)C1 ZINC000582400857 357132767 /nfs/dbraw/zinc/13/27/67/357132767.db2.gz YQUOJMXXKWSREC-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP C[C@@H](CCCC[NH3+])[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423262185 192658062 /nfs/dbraw/zinc/65/80/62/192658062.db2.gz LYEAELALORBXBM-GXTWGEPZSA-N 3 1 241.423 2.001 20 0 BEADMP Fc1cccc(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000390800106 357116479 /nfs/dbraw/zinc/11/64/79/357116479.db2.gz XMSNKUZSVSSUGC-UHFFFAOYSA-N 2 1 222.307 2.011 20 0 BEADMP COc1cccc2c1CCC[C@@H]2[NH2+][C@H](C)C[NH3+] ZINC000582540670 357338726 /nfs/dbraw/zinc/33/87/26/357338726.db2.gz ROBUFPXRIXSAQM-MFKMUULPSA-N 2 1 234.343 2.009 20 0 BEADMP CC[C@H]1CCC[C@H](C[N@@H+](C)CCC[NH3+])C1 ZINC000394504803 357363202 /nfs/dbraw/zinc/36/32/02/357363202.db2.gz FCASSFUWLJELPC-STQMWFEESA-N 2 1 212.381 2.483 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000583054020 357462331 /nfs/dbraw/zinc/46/23/31/357462331.db2.gz DQSDHUIOTFLKBZ-MCIONIFRSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000583054020 357462334 /nfs/dbraw/zinc/46/23/34/357462334.db2.gz DQSDHUIOTFLKBZ-MCIONIFRSA-N 2 1 242.407 2.121 20 0 BEADMP Cc1cnccc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397487374 357515642 /nfs/dbraw/zinc/51/56/42/357515642.db2.gz WHIJTFVAPMHXQS-KYOSRNDESA-N 2 1 247.386 2.195 20 0 BEADMP CSCCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000231726546 357623029 /nfs/dbraw/zinc/62/30/29/357623029.db2.gz UKMDGVRZFSUIEK-UHFFFAOYSA-N 2 1 242.432 2.346 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000189930638 357676347 /nfs/dbraw/zinc/67/63/47/357676347.db2.gz LGTXDMMDFNTHKC-CYBMUJFWSA-N 2 1 244.423 2.057 20 0 BEADMP C[C@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CCS1 ZINC000248956061 358333324 /nfs/dbraw/zinc/33/33/24/358333324.db2.gz BMYJMQAULLPXID-QWHCGFSZSA-N 2 1 242.432 2.298 20 0 BEADMP C[C@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)CCS1 ZINC000248956061 358333326 /nfs/dbraw/zinc/33/33/26/358333326.db2.gz BMYJMQAULLPXID-QWHCGFSZSA-N 2 1 242.432 2.298 20 0 BEADMP Cc1ccccc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000226878741 358346931 /nfs/dbraw/zinc/34/69/31/358346931.db2.gz PRFUTTUEDNVVQT-OCCSQVGLSA-N 2 1 218.344 2.307 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000227057426 358347449 /nfs/dbraw/zinc/34/74/49/358347449.db2.gz BPPVLRLHXLUTFQ-GXFFZTMASA-N 2 1 238.400 2.480 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1F ZINC000228338467 358373762 /nfs/dbraw/zinc/37/37/62/358373762.db2.gz HWWKWLHRGQNCAG-DGCLKSJQSA-N 2 1 236.334 2.446 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1F ZINC000228338467 358373764 /nfs/dbraw/zinc/37/37/64/358373764.db2.gz HWWKWLHRGQNCAG-DGCLKSJQSA-N 2 1 236.334 2.446 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1C[C@H]1C ZINC000321768452 259479725 /nfs/dbraw/zinc/47/97/25/259479725.db2.gz DXLMGEWOTBGLPA-MOLYVOAJSA-N 2 1 210.365 2.103 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1C[C@H]1C ZINC000321768452 259479727 /nfs/dbraw/zinc/47/97/27/259479727.db2.gz DXLMGEWOTBGLPA-MOLYVOAJSA-N 2 1 210.365 2.103 20 0 BEADMP CCCCC[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173891605 134278591 /nfs/dbraw/zinc/27/85/91/134278591.db2.gz FFTXQXQPLMJDOY-CYBMUJFWSA-N 2 1 212.381 2.450 20 0 BEADMP CCCCC[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000173891605 134278592 /nfs/dbraw/zinc/27/85/92/134278592.db2.gz FFTXQXQPLMJDOY-CYBMUJFWSA-N 2 1 212.381 2.450 20 0 BEADMP CCCCC[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000173891605 134278593 /nfs/dbraw/zinc/27/85/93/134278593.db2.gz FFTXQXQPLMJDOY-CYBMUJFWSA-N 2 1 212.381 2.450 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+]C2Cc3ccccc3C2)C1 ZINC000044533421 358390112 /nfs/dbraw/zinc/39/01/12/358390112.db2.gz ZXQMJJDWXIIQIJ-ZDUSSCGKSA-N 2 1 244.382 2.085 20 0 BEADMP CC[NH+]1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000048436438 358635140 /nfs/dbraw/zinc/63/51/40/358635140.db2.gz GNVIZTTVYAPUCI-UHFFFAOYSA-N 2 1 248.370 2.139 20 0 BEADMP C[NH2+]CCC[N@H+](C)Cc1coc2ccccc12 ZINC000131047600 358658857 /nfs/dbraw/zinc/65/88/57/358658857.db2.gz PKWFHPJJKDCUBW-UHFFFAOYSA-N 2 1 232.327 2.474 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1coc2ccccc12 ZINC000131047600 358658859 /nfs/dbraw/zinc/65/88/59/358658859.db2.gz PKWFHPJJKDCUBW-UHFFFAOYSA-N 2 1 232.327 2.474 20 0 BEADMP CC(C)CSCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000131530540 358681025 /nfs/dbraw/zinc/68/10/25/358681025.db2.gz XIZBWKOUULTOOD-STQMWFEESA-N 2 1 244.448 2.305 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]CC1CCCCC1 ZINC000049330060 358682526 /nfs/dbraw/zinc/68/25/26/358682526.db2.gz QNNFDYFFUFTROO-UHFFFAOYSA-N 2 1 221.348 2.361 20 0 BEADMP FCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000133774142 358767270 /nfs/dbraw/zinc/76/72/70/358767270.db2.gz LRHXNOIBNDIKER-CYBMUJFWSA-N 2 1 228.355 2.154 20 0 BEADMP CCCC[C@H](COC)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000133992691 358775462 /nfs/dbraw/zinc/77/54/62/358775462.db2.gz ABFZJAMJJCCBEU-MGPQQGTHSA-N 2 1 242.407 2.264 20 0 BEADMP CCCC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000133992691 358775463 /nfs/dbraw/zinc/77/54/63/358775463.db2.gz ABFZJAMJJCCBEU-MGPQQGTHSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccc1OC ZINC000423323849 192708853 /nfs/dbraw/zinc/70/88/53/192708853.db2.gz OYUIQSADFIIEEB-ZIAGYGMSSA-N 2 1 248.370 2.473 20 0 BEADMP Cc1cncc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000246516965 359144304 /nfs/dbraw/zinc/14/43/04/359144304.db2.gz UKGNIQBFDWHJAB-VNHYZAJKSA-N 2 1 247.386 2.208 20 0 BEADMP Cc1cncc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000246516965 359144309 /nfs/dbraw/zinc/14/43/09/359144309.db2.gz UKGNIQBFDWHJAB-VNHYZAJKSA-N 2 1 247.386 2.208 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCCOC)C1 ZINC000247160914 359198198 /nfs/dbraw/zinc/19/81/98/359198198.db2.gz UDVZLZPBVDDEOP-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@]2(C)CCCO2)CC1(C)C ZINC000623443993 359335021 /nfs/dbraw/zinc/33/50/21/359335021.db2.gz XNGCHOAUJMOBHC-OCCSQVGLSA-N 2 1 240.391 2.018 20 0 BEADMP COc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])CC2 ZINC000423433332 192768062 /nfs/dbraw/zinc/76/80/62/192768062.db2.gz CDFWBGOGGGEWDB-IMSIIYSGSA-N 2 1 234.343 2.008 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)[C@H](C)[NH3+] ZINC000423483424 192789285 /nfs/dbraw/zinc/78/92/85/192789285.db2.gz XTSJWOUEDPKQBP-CWSCBRNRSA-N 2 1 234.343 2.095 20 0 BEADMP C[C@H]1C[C@@H](C[N@H+]2CCSC[C@@H](C)C2)CC[NH2+]1 ZINC000379554242 359541546 /nfs/dbraw/zinc/54/15/46/359541546.db2.gz ZXCVMBKYZWSOOR-AVGNSLFASA-N 2 1 242.432 2.059 20 0 BEADMP CC[C@@H](C)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000088536899 359965893 /nfs/dbraw/zinc/96/58/93/359965893.db2.gz HDNZWWZZVXWBII-CHWSQXEVSA-N 2 1 212.381 2.306 20 0 BEADMP CC[C@@H](C)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000088536899 359965897 /nfs/dbraw/zinc/96/58/97/359965897.db2.gz HDNZWWZZVXWBII-CHWSQXEVSA-N 2 1 212.381 2.306 20 0 BEADMP CC[C@@H](C)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000088536899 359965902 /nfs/dbraw/zinc/96/59/02/359965902.db2.gz HDNZWWZZVXWBII-CHWSQXEVSA-N 2 1 212.381 2.306 20 0 BEADMP CCc1cc(N[C@H](C)CC[NH+](C)C)nc(C)[nH+]1 ZINC000088760301 359977062 /nfs/dbraw/zinc/97/70/62/359977062.db2.gz KZMCFFAHFKKJPH-SNVBAGLBSA-N 2 1 236.363 2.100 20 0 BEADMP C[C@@H](CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000090320649 360069806 /nfs/dbraw/zinc/06/98/06/360069806.db2.gz ZBRDSZZLKCOBMI-CWRNSKLLSA-N 2 1 244.382 2.331 20 0 BEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CSC2)C1 ZINC000309360467 491147485 /nfs/dbraw/zinc/14/74/85/491147485.db2.gz OOKKLHZARDAKRR-GFCCVEGCSA-N 2 1 242.432 2.059 20 0 BEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccnc2C)C1 ZINC000093770637 360274272 /nfs/dbraw/zinc/27/42/72/360274272.db2.gz ORHJJXSZYFDDAT-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccnc2C)C1 ZINC000093770637 360274276 /nfs/dbraw/zinc/27/42/76/360274276.db2.gz ORHJJXSZYFDDAT-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccnc2C)C1 ZINC000093770637 360274278 /nfs/dbraw/zinc/27/42/78/360274278.db2.gz ORHJJXSZYFDDAT-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccnc2C)C1 ZINC000093770637 360274281 /nfs/dbraw/zinc/27/42/81/360274281.db2.gz ORHJJXSZYFDDAT-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000309418758 491148916 /nfs/dbraw/zinc/14/89/16/491148916.db2.gz ACZVONPBKQUERC-KWCYVHTRSA-N 2 1 224.392 2.495 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000309418760 491148923 /nfs/dbraw/zinc/14/89/23/491148923.db2.gz ACZVONPBKQUERC-XBFCOCLRSA-N 2 1 224.392 2.495 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C)[C@H](C)C1 ZINC000178677709 219866406 /nfs/dbraw/zinc/86/64/06/219866406.db2.gz FMWNDGYPTPCJLG-NEPJUHHUSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CC2CCCC2)CC[N@H+]1C ZINC000155880826 360932314 /nfs/dbraw/zinc/93/23/14/360932314.db2.gz LRDUKCGLVODQIS-AAEUAGOBSA-N 2 1 210.365 2.249 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C(C)C)CC1 ZINC000309673650 491153660 /nfs/dbraw/zinc/15/36/60/491153660.db2.gz WYKAWAWIZJCINH-KGLIPLIRSA-N 2 1 224.392 2.495 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C(C)C)CC1 ZINC000309673657 491153662 /nfs/dbraw/zinc/15/36/62/491153662.db2.gz WYKAWAWIZJCINH-ZIAGYGMSSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629406954 361055266 /nfs/dbraw/zinc/05/52/66/361055266.db2.gz ROKBEOXLYBQBCO-NWANDNLSSA-N 2 1 232.371 2.348 20 0 BEADMP CC[C@@H](Cc1cccs1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629407761 361056605 /nfs/dbraw/zinc/05/66/05/361056605.db2.gz KCVLWVXPAPLBMI-GMXVVIOVSA-N 2 1 238.400 2.409 20 0 BEADMP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629408179 361057154 /nfs/dbraw/zinc/05/71/54/361057154.db2.gz RBDKDHFSZAMJFA-JFGNBEQYSA-N 2 1 224.373 2.019 20 0 BEADMP C[C@H](Cc1cccs1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629406405 361054258 /nfs/dbraw/zinc/05/42/58/361054258.db2.gz MWIVRPUXWWCGKT-JFGNBEQYSA-N 2 1 224.373 2.019 20 0 BEADMP CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629406953 361054772 /nfs/dbraw/zinc/05/47/72/361054772.db2.gz ROKBEOXLYBQBCO-AEGPPILISA-N 2 1 232.371 2.348 20 0 BEADMP CC[C@H](C[NH2+][C@H](C)C[NH3+])c1ccccc1 ZINC000161997478 361074454 /nfs/dbraw/zinc/07/44/54/361074454.db2.gz UGDLPLMACHWCGH-VXGBXAGGSA-N 2 1 206.333 2.117 20 0 BEADMP Cc1nc(C(C)C)ccc1C[NH+]1CCC([NH3+])CC1 ZINC000629509048 361102230 /nfs/dbraw/zinc/10/22/30/361102230.db2.gz HVMOLUYYKAGTFQ-UHFFFAOYSA-N 2 1 247.386 2.437 20 0 BEADMP Cc1cncc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000629511293 361109801 /nfs/dbraw/zinc/10/98/01/361109801.db2.gz XRNZLXQXNSJKHI-UHFFFAOYSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1cncc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000629511293 361109806 /nfs/dbraw/zinc/10/98/06/361109806.db2.gz XRNZLXQXNSJKHI-UHFFFAOYSA-N 2 1 245.370 2.106 20 0 BEADMP CCC[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)OCC ZINC000629515891 361110315 /nfs/dbraw/zinc/11/03/15/361110315.db2.gz VTXDUMGRXNGFCR-MJBXVCDLSA-N 2 1 242.407 2.312 20 0 BEADMP CCO[C@H](C[N@H+]1CCCC[C@@H]1CC[NH3+])C1CC1 ZINC000629531658 361148690 /nfs/dbraw/zinc/14/86/90/361148690.db2.gz SUIWLOSJSLONAX-ZIAGYGMSSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccncc1 ZINC000424334280 200916020 /nfs/dbraw/zinc/91/60/20/200916020.db2.gz NSHWKZIDDKHHMB-RAIGVLPGSA-N 2 1 219.332 2.002 20 0 BEADMP CC1(C)CC(C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000629534004 361163337 /nfs/dbraw/zinc/16/33/37/361163337.db2.gz HVESJYFKBNBHOH-QWHCGFSZSA-N 2 1 222.376 2.106 20 0 BEADMP CC1(C)CC(C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000629534004 361163342 /nfs/dbraw/zinc/16/33/42/361163342.db2.gz HVESJYFKBNBHOH-QWHCGFSZSA-N 2 1 222.376 2.106 20 0 BEADMP CC1(C)CC(C[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000629534003 361163468 /nfs/dbraw/zinc/16/34/68/361163468.db2.gz HVESJYFKBNBHOH-OLZOCXBDSA-N 2 1 222.376 2.106 20 0 BEADMP CC1(C)CC(C[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000629534003 361163472 /nfs/dbraw/zinc/16/34/72/361163472.db2.gz HVESJYFKBNBHOH-OLZOCXBDSA-N 2 1 222.376 2.106 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+]CC1(C)CCC1 ZINC000309704718 491155393 /nfs/dbraw/zinc/15/53/93/491155393.db2.gz NZGDKULEFUQDDE-UHFFFAOYSA-N 2 1 221.348 2.361 20 0 BEADMP Cc1nccn1CCC[N@H+](C)[C@@H](C)C1CC1 ZINC000579070215 366703055 /nfs/dbraw/zinc/70/30/55/366703055.db2.gz IPENVZMBPXVJOL-NSHDSACASA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C1CC1 ZINC000579070215 366703058 /nfs/dbraw/zinc/70/30/58/366703058.db2.gz IPENVZMBPXVJOL-NSHDSACASA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C1CC1 ZINC000579070215 366703061 /nfs/dbraw/zinc/70/30/61/366703061.db2.gz IPENVZMBPXVJOL-NSHDSACASA-N 2 1 221.348 2.312 20 0 BEADMP CO[C@H](C)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533870 361302911 /nfs/dbraw/zinc/30/29/11/361302911.db2.gz XTSKCURUBLDNMR-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP C/C=C\C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000629536613 361400135 /nfs/dbraw/zinc/40/01/35/361400135.db2.gz IBEDEJCVWMOCQA-KIMDAOQFSA-N 2 1 218.344 2.111 20 0 BEADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2ccccc2C1 ZINC000629547905 361432080 /nfs/dbraw/zinc/43/20/80/361432080.db2.gz WGJJLVJVJQSCMQ-VBNZEHGJSA-N 2 1 244.382 2.274 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCCC12CC2 ZINC000629554897 361436303 /nfs/dbraw/zinc/43/63/03/361436303.db2.gz OKUJOPRTFUGYPO-UPJWGTAASA-N 2 1 222.376 2.154 20 0 BEADMP C[C@@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)CC[C@@H]1[NH3+] ZINC000430941316 201158797 /nfs/dbraw/zinc/15/87/97/201158797.db2.gz VPRCWGIJHVLZDR-WKPIXPDZSA-N 2 1 248.345 2.482 20 0 BEADMP C/C=C\C[C@H]1CCC[N@H+](CCC[NH2+]C)C1 ZINC000629595400 361481887 /nfs/dbraw/zinc/48/18/87/361481887.db2.gz ONENBHOHVPJBQP-SCOBNMCVSA-N 2 1 210.365 2.274 20 0 BEADMP FC1(F)CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000629558477 361452696 /nfs/dbraw/zinc/45/26/96/361452696.db2.gz IKGPQARLLCQCLY-NSHDSACASA-N 2 1 232.318 2.107 20 0 BEADMP C[NH2+]CCC[NH2+]Cc1sccc1Cl ZINC000163314036 361453150 /nfs/dbraw/zinc/45/31/50/361453150.db2.gz RYXHUKUYNJHXMD-UHFFFAOYSA-N 2 1 218.753 2.101 20 0 BEADMP FC1(F)CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000629559953 361455264 /nfs/dbraw/zinc/45/52/64/361455264.db2.gz VWFBECYDOUSXOL-LBPRGKRZSA-N 2 1 246.345 2.497 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]2C(C)C)C1 ZINC000309966771 491158630 /nfs/dbraw/zinc/15/86/30/491158630.db2.gz NVEILGGYULBHNL-MGPQQGTHSA-N 2 1 224.392 2.352 20 0 BEADMP Cc1ccc(CCCN[C@@H]2CC[C@@H](C)[NH2+]C2)cn1 ZINC000629659775 361564747 /nfs/dbraw/zinc/56/47/47/361564747.db2.gz GTQPDJHTPKMLHH-UKRRQHHQSA-N 3 1 247.386 2.053 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+]CC(C)(C)C)C1 ZINC000163800764 361579396 /nfs/dbraw/zinc/57/93/96/361579396.db2.gz KDMLGBXXXIQIKZ-GFCCVEGCSA-N 2 1 212.381 2.354 20 0 BEADMP CC[C@H]1CCC[C@@H](C[N@@H+](C)CCOCC[NH3+])C1 ZINC000629667999 361588728 /nfs/dbraw/zinc/58/87/28/361588728.db2.gz ZAIUKPYABRYGCE-UONOGXRCSA-N 2 1 242.407 2.110 20 0 BEADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000152828713 201209243 /nfs/dbraw/zinc/20/92/43/201209243.db2.gz JFJOYZJKTJTOJJ-QNWHQSFQSA-N 2 1 212.381 2.493 20 0 BEADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000152828713 201209246 /nfs/dbraw/zinc/20/92/46/201209246.db2.gz JFJOYZJKTJTOJJ-QNWHQSFQSA-N 2 1 212.381 2.493 20 0 BEADMP CCCc1cccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000435368854 201265096 /nfs/dbraw/zinc/26/50/96/201265096.db2.gz JLIQTFIXPGMBCB-HNNXBMFYSA-N 2 1 232.371 2.420 20 0 BEADMP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000435370284 201266531 /nfs/dbraw/zinc/26/65/31/201266531.db2.gz HZWIENKBJAPESN-DZGCQCFKSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000435370284 201266535 /nfs/dbraw/zinc/26/65/35/201266535.db2.gz HZWIENKBJAPESN-DZGCQCFKSA-N 2 1 232.371 2.288 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000435886225 201296702 /nfs/dbraw/zinc/29/67/02/201296702.db2.gz URVFIVMCVZIMEY-OAHLLOKOSA-N 2 1 248.370 2.442 20 0 BEADMP C[NH2+]CCC[N@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000435878062 201293416 /nfs/dbraw/zinc/29/34/16/201293416.db2.gz XPGLWWTYSYKDJA-ZDUSSCGKSA-N 2 1 248.370 2.094 20 0 BEADMP CC[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000123892980 541318726 /nfs/dbraw/zinc/31/87/26/541318726.db2.gz YNIMEXCKSUXSMU-UHFFFAOYSA-N 2 1 230.355 2.317 20 0 BEADMP CSC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000133965089 364380528 /nfs/dbraw/zinc/38/05/28/364380528.db2.gz QAFINOGIMHLPGJ-NOOOWODRSA-N 2 1 230.421 2.056 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000233005929 541376192 /nfs/dbraw/zinc/37/61/92/541376192.db2.gz LIZMBZLMBHVOCS-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000233005929 541376194 /nfs/dbraw/zinc/37/61/94/541376194.db2.gz LIZMBZLMBHVOCS-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@H](Cc1cccs1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399025232 364727097 /nfs/dbraw/zinc/72/70/97/364727097.db2.gz JIVXCDHFZQWOCZ-UTUOFQBUSA-N 2 1 238.400 2.409 20 0 BEADMP Cc1ccc(CC[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000573931523 364949588 /nfs/dbraw/zinc/94/95/88/364949588.db2.gz XAIWMECWOHUNQY-ZFWWWQNUSA-N 2 1 232.371 2.349 20 0 BEADMP Cc1ccc(CC[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000573931520 364949846 /nfs/dbraw/zinc/94/98/46/364949846.db2.gz XAIWMECWOHUNQY-DZGCQCFKSA-N 2 1 232.371 2.349 20 0 BEADMP COc1ccc2oc(C[N@@H+](C)CCC[NH3+])cc2c1 ZINC000574277259 365025819 /nfs/dbraw/zinc/02/58/19/365025819.db2.gz NUVAUMQCPJKMTO-UHFFFAOYSA-N 2 1 248.326 2.222 20 0 BEADMP [NH3+]CCC[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000036883467 181380258 /nfs/dbraw/zinc/38/02/58/181380258.db2.gz XZFYGLFPEGBDBK-UHFFFAOYSA-N 2 1 222.307 2.139 20 0 BEADMP NCC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000037712334 181397781 /nfs/dbraw/zinc/39/77/81/181397781.db2.gz SMHJLNADBOMQEB-CYBMUJFWSA-N 2 1 204.317 2.002 20 0 BEADMP [NH3+]CC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000037712334 181397783 /nfs/dbraw/zinc/39/77/83/181397783.db2.gz SMHJLNADBOMQEB-CYBMUJFWSA-N 2 1 204.317 2.002 20 0 BEADMP C1CC1[NH+]1CCC([NH2+]C2(C3CC3)CC2)CC1 ZINC000574662064 365116393 /nfs/dbraw/zinc/11/63/93/365116393.db2.gz WKJPQKTUIVGEIB-UHFFFAOYSA-N 2 1 220.360 2.145 20 0 BEADMP C[C@H]1CCCC[C@H]1C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000574793029 365146088 /nfs/dbraw/zinc/14/60/88/365146088.db2.gz AJRHWVIPXWLCCF-ZQDZILKHSA-N 2 1 236.403 2.497 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000575197936 365238977 /nfs/dbraw/zinc/23/89/77/365238977.db2.gz RJOHMYOFTQJNCL-LXTVHRRPSA-N 2 1 236.403 2.497 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000575197937 365239342 /nfs/dbraw/zinc/23/93/42/365239342.db2.gz RJOHMYOFTQJNCL-XQLPTFJDSA-N 2 1 236.403 2.497 20 0 BEADMP CC1(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000579958583 367103170 /nfs/dbraw/zinc/10/31/70/367103170.db2.gz KMBWOKDXWBCQMK-STQMWFEESA-N 2 1 222.376 2.108 20 0 BEADMP c1ccc(CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887133 370833986 /nfs/dbraw/zinc/83/39/86/370833986.db2.gz OCGUHYSEZDXCRR-HOTGVXAUSA-N 2 1 244.382 2.303 20 0 BEADMP CC(C)[N@H+](Cc1ccccn1)C[C@@]1(C)CC[NH2+]C1 ZINC000580893666 367200521 /nfs/dbraw/zinc/20/05/21/367200521.db2.gz ZIXZUZNMVOAQRE-HNNXBMFYSA-N 2 1 247.386 2.292 20 0 BEADMP CC(C)[N@@H+](Cc1ccccn1)C[C@@]1(C)CC[NH2+]C1 ZINC000580893666 367200526 /nfs/dbraw/zinc/20/05/26/367200526.db2.gz ZIXZUZNMVOAQRE-HNNXBMFYSA-N 2 1 247.386 2.292 20 0 BEADMP C[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@H]1C ZINC000380669944 367275716 /nfs/dbraw/zinc/27/57/16/367275716.db2.gz KXHAGPLNWSLCBW-QNWHQSFQSA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)C[C@H](N)C[N@H+]1C[C@@H](C)CC1(C)C ZINC000380576898 367245683 /nfs/dbraw/zinc/24/56/83/367245683.db2.gz VIWIKQWORONPNJ-RYUDHWBXSA-N 2 1 212.381 2.480 20 0 BEADMP Cc1cncc([C@@H](C)[NH2+]CCC[NH2+]C(C)C)c1 ZINC000581245533 367306584 /nfs/dbraw/zinc/30/65/84/367306584.db2.gz HBZFIKCFWIEWMT-CYBMUJFWSA-N 2 1 235.375 2.429 20 0 BEADMP C[N@@H+](CCC[NH3+])C[C@@H]1C[C@H]1c1ccccc1 ZINC000382082206 367484286 /nfs/dbraw/zinc/48/42/86/367484286.db2.gz QETKVUHLYNSTPP-KBPBESRZSA-N 2 1 218.344 2.071 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)CC[N@H+]1C ZINC000382184839 367495032 /nfs/dbraw/zinc/49/50/32/367495032.db2.gz AWEVJURBBLLHBG-PYJNHQTQSA-N 2 1 222.376 2.105 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CC1(C)C ZINC000399124837 367596107 /nfs/dbraw/zinc/59/61/07/367596107.db2.gz JMCSZRLBWOOJHV-RHYQMDGZSA-N 2 1 210.365 2.151 20 0 BEADMP COc1cc(C)ccc1[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000581601881 367625521 /nfs/dbraw/zinc/62/55/21/367625521.db2.gz SFBCUHWVBBRWAE-LBPRGKRZSA-N 2 1 248.370 2.406 20 0 BEADMP CC[C@@H]1[C@@H](C)CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000384027840 367669574 /nfs/dbraw/zinc/66/95/74/367669574.db2.gz ZECUUGQBEKPSEW-MELADBBJSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1ccc(C[N@H+](C)C2CC([NH3+])C2)c(C)c1 ZINC000384741588 367724648 /nfs/dbraw/zinc/72/46/48/367724648.db2.gz LZOOHLZOROSOMX-UHFFFAOYSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1ccc(C)c(OCC[N@H+](C)C2CC([NH3+])C2)c1 ZINC000384969838 367768104 /nfs/dbraw/zinc/76/81/04/367768104.db2.gz XWAXCNSTWFMPPJ-UHFFFAOYSA-N 2 1 248.370 2.104 20 0 BEADMP Cc1cc(C)cc(C[N@H+](C)C2CC([NH3+])C2)c1 ZINC000384974736 367768780 /nfs/dbraw/zinc/76/87/80/367768780.db2.gz ITQROWNNLCKKFA-UHFFFAOYSA-N 2 1 218.344 2.225 20 0 BEADMP CCOc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1 ZINC000385093533 367788362 /nfs/dbraw/zinc/78/83/62/367788362.db2.gz YKVFERXFPAZUEG-UHFFFAOYSA-N 2 1 234.343 2.007 20 0 BEADMP C[C@H](CC(C)(C)C)[NH2+]C1CC[NH+](C)CC1 ZINC000385099916 367790739 /nfs/dbraw/zinc/79/07/39/367790739.db2.gz HMAWQKRRFVVNJJ-LLVKDONJSA-N 2 1 212.381 2.495 20 0 BEADMP Cc1cnccc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000385175752 367805142 /nfs/dbraw/zinc/80/51/42/367805142.db2.gz MTIKGMOLGJIFLM-CQSZACIVSA-N 2 1 247.386 2.210 20 0 BEADMP C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000385373271 367823552 /nfs/dbraw/zinc/82/35/52/367823552.db2.gz LNRKSYFCUZJARV-SYQHCUMBSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@H]1CCC[C@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000385373269 367823561 /nfs/dbraw/zinc/82/35/61/367823561.db2.gz LNRKSYFCUZJARV-FQUUOJAGSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCSCC[C@@H]2C)CC[NH2+]1 ZINC000385411261 367826931 /nfs/dbraw/zinc/82/69/31/367826931.db2.gz UVBSIKWXLRAHRU-FRRDWIJNSA-N 2 1 242.432 2.202 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000581824634 367832884 /nfs/dbraw/zinc/83/28/84/367832884.db2.gz RXQZVOSMDTYPGA-HUUCEWRRSA-N 2 1 247.386 2.244 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000581824634 367832887 /nfs/dbraw/zinc/83/28/87/367832887.db2.gz RXQZVOSMDTYPGA-HUUCEWRRSA-N 2 1 247.386 2.244 20 0 BEADMP CC(C)SCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386589771 367998048 /nfs/dbraw/zinc/99/80/48/367998048.db2.gz QZAMCJWUKYGCJW-RYUDHWBXSA-N 2 1 230.421 2.248 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCCS1)[C@H]1CCCC[NH2+]1 ZINC000386588901 367998322 /nfs/dbraw/zinc/99/83/22/367998322.db2.gz QUWKHNBHAHUXKQ-QJPTWQEYSA-N 2 1 228.405 2.002 20 0 BEADMP CC(C)[N@H+](CC[C@@H]1CCC[NH2+]C1)CC(F)F ZINC000387020831 368042052 /nfs/dbraw/zinc/04/20/52/368042052.db2.gz IMXXPNQTZDPJGZ-NSHDSACASA-N 2 1 234.334 2.352 20 0 BEADMP CC(C)[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(F)F ZINC000387020831 368042059 /nfs/dbraw/zinc/04/20/59/368042059.db2.gz IMXXPNQTZDPJGZ-NSHDSACASA-N 2 1 234.334 2.352 20 0 BEADMP CC(C)[N@H+](CC(F)F)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000387098871 368050641 /nfs/dbraw/zinc/05/06/41/368050641.db2.gz WTTHSWRWGOYQOD-MNOVXSKESA-N 2 1 234.334 2.350 20 0 BEADMP CC(C)[N@@H+](CC(F)F)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000387098871 368050647 /nfs/dbraw/zinc/05/06/47/368050647.db2.gz WTTHSWRWGOYQOD-MNOVXSKESA-N 2 1 234.334 2.350 20 0 BEADMP C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000567102614 326116147 /nfs/dbraw/zinc/11/61/47/326116147.db2.gz WPTAGDQTUUEHOP-GMXVVIOVSA-N 2 1 238.400 2.409 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC[C@H]2C)C1 ZINC000083390740 368771977 /nfs/dbraw/zinc/77/19/77/368771977.db2.gz HEWSJGGECOMNGV-RDBSUJKOSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@](C[NH3+])([NH2+]C[C@@H]1CCC(F)(F)C1)C1CC1 ZINC000631822372 368977058 /nfs/dbraw/zinc/97/70/58/368977058.db2.gz APVYVOMXJDYLHQ-MWLCHTKSSA-N 2 1 232.318 2.139 20 0 BEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000623656993 368997257 /nfs/dbraw/zinc/99/72/57/368997257.db2.gz HHZAHOAAHCZMRE-STQMWFEESA-N 2 1 242.432 2.204 20 0 BEADMP C[N@H+]1CCCC[C@@H](C[NH2+]CC2(C)CC2)C1 ZINC000623657114 368998151 /nfs/dbraw/zinc/99/81/51/368998151.db2.gz KASYQPNCMNYYIV-LBPRGKRZSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000623655835 368991157 /nfs/dbraw/zinc/99/11/57/368991157.db2.gz GZPJSKKWKHMYDS-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631837386 369093873 /nfs/dbraw/zinc/09/38/73/369093873.db2.gz BADIHTYRQLVLSP-WCQYABFASA-N 2 1 236.334 2.161 20 0 BEADMP CCc1ccccc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631839061 369123918 /nfs/dbraw/zinc/12/39/18/369123918.db2.gz ZJCXDUNNDPNVOU-SWLSCSKDSA-N 2 1 232.371 2.276 20 0 BEADMP C[C@H](Cc1ccsc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400483038 369350025 /nfs/dbraw/zinc/35/00/25/369350025.db2.gz WPTAGDQTUUEHOP-WZRBSPASSA-N 2 1 238.400 2.409 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459730471 203336908 /nfs/dbraw/zinc/33/69/08/203336908.db2.gz KDTKJUNAPPZDIW-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H](C)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459723599 203342106 /nfs/dbraw/zinc/34/21/06/203342106.db2.gz AGPISJSQXYJKFF-QWHCGFSZSA-N 2 1 212.381 2.354 20 0 BEADMP Cc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)o1 ZINC000459732737 203344428 /nfs/dbraw/zinc/34/44/28/203344428.db2.gz MTTNCEFQVMZDPM-CYBMUJFWSA-N 2 1 236.359 2.410 20 0 BEADMP CCSCC[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459732364 203345406 /nfs/dbraw/zinc/34/54/06/203345406.db2.gz FUHXCPAECHWHGK-LBPRGKRZSA-N 2 1 230.421 2.061 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459776119 203364422 /nfs/dbraw/zinc/36/44/22/203364422.db2.gz KCANJWWJJMKGRC-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CSC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459798036 203373298 /nfs/dbraw/zinc/37/32/98/203373298.db2.gz XKELHXXGWGDTRY-FRRDWIJNSA-N 2 1 242.432 2.059 20 0 BEADMP C[C@@H](CC1CC1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459795984 203374144 /nfs/dbraw/zinc/37/41/44/203374144.db2.gz VRKWLJLPCUYNJB-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459795017 203374758 /nfs/dbraw/zinc/37/47/58/203374758.db2.gz XDKBTJJOOMVBLZ-RDBSUJKOSA-N 2 1 233.359 2.360 20 0 BEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)C1CC1 ZINC000165292456 203384156 /nfs/dbraw/zinc/38/41/56/203384156.db2.gz JJFHATSRHSITFY-QWRGUYRKSA-N 2 1 221.348 2.216 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)C1CC1 ZINC000165372584 203383479 /nfs/dbraw/zinc/38/34/79/203383479.db2.gz AYYIPKZDAMDRSS-NSHDSACASA-N 2 1 221.348 2.360 20 0 BEADMP CC(C)OC[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459783998 203368333 /nfs/dbraw/zinc/36/83/33/203368333.db2.gz NSWPMSRNVOFYRG-KBPBESRZSA-N 2 1 242.407 2.121 20 0 BEADMP COc1ccc(C)cc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252698588 370116799 /nfs/dbraw/zinc/11/67/99/370116799.db2.gz NYKAIWCVHBKNNN-OLZOCXBDSA-N 2 1 248.370 2.173 20 0 BEADMP CCOc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000252754357 370122788 /nfs/dbraw/zinc/12/27/88/370122788.db2.gz BAXMBCKYOZUBNV-JSGCOSHPSA-N 2 1 248.370 2.254 20 0 BEADMP CCSCC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000309635125 370237636 /nfs/dbraw/zinc/23/76/36/370237636.db2.gz MBNKKXNVLFCJNE-NWDGAFQWSA-N 2 1 230.421 2.059 20 0 BEADMP CC1CC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000621384336 370328367 /nfs/dbraw/zinc/32/83/67/370328367.db2.gz CCIHNBZXGNMDBN-PQAZSJQKSA-N 2 1 222.376 2.249 20 0 BEADMP CC1CC(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000621770701 370513756 /nfs/dbraw/zinc/51/37/56/370513756.db2.gz WFDRFPFFVSSKDE-MMCPYJTDSA-N 2 1 236.403 2.495 20 0 BEADMP CC1CC(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000621771812 370514523 /nfs/dbraw/zinc/51/45/23/370514523.db2.gz NGKGNURXKTWFEF-POOIEITISA-N 2 1 210.365 2.105 20 0 BEADMP FC1(F)C[C@@H]1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000621733866 370490070 /nfs/dbraw/zinc/49/00/70/370490070.db2.gz ZYERVPQBNSVHRP-JTQLQIEISA-N 2 1 244.329 2.248 20 0 BEADMP C[NH+](C/C=C\C[N@H+](C)CC1CC1)CC1CC1 ZINC000255416060 370528526 /nfs/dbraw/zinc/52/85/26/370528526.db2.gz HSEBIYRUBYFMAL-ARJAWSKDSA-N 2 1 222.376 2.226 20 0 BEADMP CCC(CC)C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621784131 370535189 /nfs/dbraw/zinc/53/51/89/370535189.db2.gz KIIBIYMXVHTOAC-OLZOCXBDSA-N 2 1 210.365 2.236 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@H]2CCCC23CC3)CC1 ZINC000623825012 371113017 /nfs/dbraw/zinc/11/30/17/371113017.db2.gz UWDRQQLGEWQDSO-GFCCVEGCSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H](Cc1ccccc1)C[N@@H+](C)CCC[NH3+] ZINC000568983397 326384482 /nfs/dbraw/zinc/38/44/82/326384482.db2.gz IAQJNLOSKYOPEP-ZDUSSCGKSA-N 2 1 220.360 2.146 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000624120919 371321669 /nfs/dbraw/zinc/32/16/69/371321669.db2.gz KFEQJKZWLXQMES-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccncc1 ZINC000624122644 371323529 /nfs/dbraw/zinc/32/35/29/371323529.db2.gz XNAKRCPUCLYEIP-KBPBESRZSA-N 2 1 247.386 2.464 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)[C@@H]1C ZINC000624124122 371325124 /nfs/dbraw/zinc/32/51/24/371325124.db2.gz XTDSHSXYNFRKQQ-SYQHCUMBSA-N 2 1 224.392 2.352 20 0 BEADMP C/C=C\C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000624199678 371391406 /nfs/dbraw/zinc/39/14/06/371391406.db2.gz VLZLVMVKNOOHOW-LBRDAYAISA-N 2 1 208.349 2.025 20 0 BEADMP Cc1cccc(C[NH2+]CCc2c[nH+]cn2C)c1F ZINC000401643744 371795390 /nfs/dbraw/zinc/79/53/90/371795390.db2.gz JUHBXHHYQGPVBB-UHFFFAOYSA-N 2 1 247.317 2.200 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H](C)O1 ZINC000631218277 372239909 /nfs/dbraw/zinc/23/99/09/372239909.db2.gz MHSCYJOFIRUHJD-NDBYEHHHSA-N 2 1 240.391 2.015 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c(C)n1 ZINC000631822441 372598564 /nfs/dbraw/zinc/59/85/64/372598564.db2.gz DETYDOCUIBQAKA-OCCSQVGLSA-N 2 1 247.386 2.176 20 0 BEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@H]1CCC(F)(F)C1)C2 ZINC000631829877 372612604 /nfs/dbraw/zinc/61/26/04/372612604.db2.gz CLTHGTRRPQQNHL-TUAOUCFPSA-N 2 1 244.329 2.235 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1C ZINC000631837646 372629466 /nfs/dbraw/zinc/62/94/66/372629466.db2.gz DMPVVFJVZVNNRC-UKRRQHHQSA-N 2 1 232.371 2.330 20 0 BEADMP C[C@H]1C[N@H+](Cc2sccc2Cl)C[C@H]1C[NH3+] ZINC000631838240 372632196 /nfs/dbraw/zinc/63/21/96/372632196.db2.gz KXVFGOCPKIAJHS-DTWKUNHWSA-N 2 1 244.791 2.428 20 0 BEADMP C[C@H]1C[N@@H+](Cc2sccc2Cl)C[C@H]1C[NH3+] ZINC000631838240 372632201 /nfs/dbraw/zinc/63/22/01/372632201.db2.gz KXVFGOCPKIAJHS-DTWKUNHWSA-N 2 1 244.791 2.428 20 0 BEADMP C[C@H]1C[N@H+](Cc2ccc(Cl)s2)C[C@H]1C[NH3+] ZINC000631838649 372633415 /nfs/dbraw/zinc/63/34/15/372633415.db2.gz SIDFNTBIXUPLCG-DTWKUNHWSA-N 2 1 244.791 2.428 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)s2)C[C@H]1C[NH3+] ZINC000631838649 372633422 /nfs/dbraw/zinc/63/34/22/372633422.db2.gz SIDFNTBIXUPLCG-DTWKUNHWSA-N 2 1 244.791 2.428 20 0 BEADMP C[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C[NH3+] ZINC000631839947 372635960 /nfs/dbraw/zinc/63/59/60/372635960.db2.gz NEVFXQZDWVQKFL-DGCLKSJQSA-N 2 1 210.365 2.093 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631843883 372641379 /nfs/dbraw/zinc/64/13/79/372641379.db2.gz STYARPQHRUTRHL-TZMCWYRMSA-N 2 1 218.344 2.022 20 0 BEADMP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)C1CCC1 ZINC000631890473 372675410 /nfs/dbraw/zinc/67/54/10/372675410.db2.gz PTLFTJKFNCIUHT-ZIAGYGMSSA-N 2 1 222.376 2.251 20 0 BEADMP C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)C1CCC1 ZINC000631890473 372675413 /nfs/dbraw/zinc/67/54/13/372675413.db2.gz PTLFTJKFNCIUHT-ZIAGYGMSSA-N 2 1 222.376 2.251 20 0 BEADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000631873776 372675422 /nfs/dbraw/zinc/67/54/22/372675422.db2.gz WBCADJVWECMQBS-DZGCQCFKSA-N 2 1 236.403 2.498 20 0 BEADMP CCCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631883946 372679647 /nfs/dbraw/zinc/67/96/47/372679647.db2.gz DQVZBBFVKZTZSK-QWHCGFSZSA-N 2 1 210.365 2.251 20 0 BEADMP CCCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631883946 372679649 /nfs/dbraw/zinc/67/96/49/372679649.db2.gz DQVZBBFVKZTZSK-QWHCGFSZSA-N 2 1 210.365 2.251 20 0 BEADMP C(C1CCCC1)[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631885916 372681723 /nfs/dbraw/zinc/68/17/23/372681723.db2.gz CQZKHPHEAVBMGR-UONOGXRCSA-N 2 1 222.376 2.251 20 0 BEADMP C(C1CCCC1)[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631885916 372681726 /nfs/dbraw/zinc/68/17/26/372681726.db2.gz CQZKHPHEAVBMGR-UONOGXRCSA-N 2 1 222.376 2.251 20 0 BEADMP Fc1cccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631886895 372682935 /nfs/dbraw/zinc/68/29/35/372682935.db2.gz MWYLHLLQUTUYFV-ZFWWWQNUSA-N 2 1 248.345 2.400 20 0 BEADMP Fc1cccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631886895 372682940 /nfs/dbraw/zinc/68/29/40/372682940.db2.gz MWYLHLLQUTUYFV-ZFWWWQNUSA-N 2 1 248.345 2.400 20 0 BEADMP C[NH+](C)C1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000172189508 372900925 /nfs/dbraw/zinc/90/09/25/372900925.db2.gz UUXZVKDFMGXJEI-CYBMUJFWSA-N 2 1 208.349 2.121 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCCO2)CC[N@H+]1C ZINC000180255790 205657615 /nfs/dbraw/zinc/65/76/15/205657615.db2.gz OLSMRPWOAZGNDL-MCIONIFRSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246559600 374274123 /nfs/dbraw/zinc/27/41/23/374274123.db2.gz KUKRNAUGFUSGAA-JSGCOSHPSA-N 2 1 222.376 2.345 20 0 BEADMP CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246559600 374274129 /nfs/dbraw/zinc/27/41/29/374274129.db2.gz KUKRNAUGFUSGAA-JSGCOSHPSA-N 2 1 222.376 2.345 20 0 BEADMP CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246559600 374274133 /nfs/dbraw/zinc/27/41/33/374274133.db2.gz KUKRNAUGFUSGAA-JSGCOSHPSA-N 2 1 222.376 2.345 20 0 BEADMP CC(C)(C)CC[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000220397764 134306632 /nfs/dbraw/zinc/30/66/32/134306632.db2.gz PQWKLFZYNVQFFC-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP COCC(C)(C)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000426417777 206049482 /nfs/dbraw/zinc/04/94/82/206049482.db2.gz CKGOFYJFTNIJGW-OLZOCXBDSA-N 2 1 242.407 2.074 20 0 BEADMP COCC(C)(C)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000426417777 206049489 /nfs/dbraw/zinc/04/94/89/206049489.db2.gz CKGOFYJFTNIJGW-OLZOCXBDSA-N 2 1 242.407 2.074 20 0 BEADMP COCC(C)(C)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000426417777 206049493 /nfs/dbraw/zinc/04/94/93/206049493.db2.gz CKGOFYJFTNIJGW-OLZOCXBDSA-N 2 1 242.407 2.074 20 0 BEADMP COCC(C)(C)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000426417777 206049498 /nfs/dbraw/zinc/04/94/98/206049498.db2.gz CKGOFYJFTNIJGW-OLZOCXBDSA-N 2 1 242.407 2.074 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000356878282 169122576 /nfs/dbraw/zinc/12/25/76/169122576.db2.gz SRKVGKDZCPNCAW-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000356878282 169122577 /nfs/dbraw/zinc/12/25/77/169122577.db2.gz SRKVGKDZCPNCAW-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000356506776 169125609 /nfs/dbraw/zinc/12/56/09/169125609.db2.gz PLHXSDZPFQMTGO-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000356506776 169125611 /nfs/dbraw/zinc/12/56/11/169125611.db2.gz PLHXSDZPFQMTGO-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000356506774 169126263 /nfs/dbraw/zinc/12/62/63/169126263.db2.gz PLHXSDZPFQMTGO-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000356506774 169126264 /nfs/dbraw/zinc/12/62/64/169126264.db2.gz PLHXSDZPFQMTGO-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000353487276 169127988 /nfs/dbraw/zinc/12/79/88/169127988.db2.gz DQSDHUIOTFLKBZ-BFHYXJOUSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000353487276 169127990 /nfs/dbraw/zinc/12/79/90/169127990.db2.gz DQSDHUIOTFLKBZ-BFHYXJOUSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[NH+](CCC)CC[NH2+]C(C)(C)C ZINC000042302475 169147549 /nfs/dbraw/zinc/14/75/49/169147549.db2.gz MZWUILWXPSTSCJ-UHFFFAOYSA-N 2 1 200.370 2.497 20 0 BEADMP CCC[N@H+](Cc1ncccc1C)C1CC[NH2+]CC1 ZINC000161850247 169180596 /nfs/dbraw/zinc/18/05/96/169180596.db2.gz BLZRPIOASLKQFM-UHFFFAOYSA-N 2 1 247.386 2.354 20 0 BEADMP CCC[N@@H+](Cc1ncccc1C)C1CC[NH2+]CC1 ZINC000161850247 169180599 /nfs/dbraw/zinc/18/05/99/169180599.db2.gz BLZRPIOASLKQFM-UHFFFAOYSA-N 2 1 247.386 2.354 20 0 BEADMP CCC[NH+]1CCC([NH2+]Cc2ccc(C)nc2)CC1 ZINC000062051114 169188422 /nfs/dbraw/zinc/18/84/22/169188422.db2.gz UAWPEJPMOKWRLZ-UHFFFAOYSA-N 2 1 247.386 2.354 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000353133621 169196330 /nfs/dbraw/zinc/19/63/30/169196330.db2.gz DXAMGRZRLDYHGQ-MELADBBJSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000353133621 169196332 /nfs/dbraw/zinc/19/63/32/169196332.db2.gz DXAMGRZRLDYHGQ-MELADBBJSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CC(CC)C2)C1 ZINC000336779298 169206550 /nfs/dbraw/zinc/20/65/50/169206550.db2.gz NWVPPYRPJVSWCT-MOKVOYLWSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CC(C)(C)C2)C1 ZINC000336781278 169206670 /nfs/dbraw/zinc/20/66/70/169206670.db2.gz UFNCUIPRWCHFME-GFCCVEGCSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000158770637 169207535 /nfs/dbraw/zinc/20/75/35/169207535.db2.gz AQUXCQFZRLTGJO-KBPBESRZSA-N 2 1 247.386 2.464 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000158770637 169207536 /nfs/dbraw/zinc/20/75/36/169207536.db2.gz AQUXCQFZRLTGJO-KBPBESRZSA-N 2 1 247.386 2.464 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccncc2)C1 ZINC000156487792 169209270 /nfs/dbraw/zinc/20/92/70/169209270.db2.gz GOEDZZMCOMJCIJ-UONOGXRCSA-N 2 1 247.386 2.464 20 0 BEADMP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000106868337 183353660 /nfs/dbraw/zinc/35/36/60/183353660.db2.gz FFZBLPQFCVXNSN-QWHCGFSZSA-N 2 1 236.384 2.465 20 0 BEADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cs1 ZINC000106868337 183353662 /nfs/dbraw/zinc/35/36/62/183353662.db2.gz FFZBLPQFCVXNSN-QWHCGFSZSA-N 2 1 236.384 2.465 20 0 BEADMP CCC[C@@H](C)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352539759 169358052 /nfs/dbraw/zinc/35/80/52/169358052.db2.gz CMAJSUOCDKYPOS-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000179884880 134325200 /nfs/dbraw/zinc/32/52/00/134325200.db2.gz UTBFORRTNZPADB-ZDUSSCGKSA-N 2 1 212.381 2.306 20 0 BEADMP CCC(CC)C[N@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000221394144 134324016 /nfs/dbraw/zinc/32/40/16/134324016.db2.gz KBMZFPYRLFLGLF-CHWSQXEVSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]1CC[C@H](C)[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000251686717 171053734 /nfs/dbraw/zinc/05/37/34/171053734.db2.gz PPSWVQXXPHDNNZ-YNEHKIRRSA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@H](C)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000226813819 134370048 /nfs/dbraw/zinc/37/00/48/134370048.db2.gz VPTWHJVNVGHCGO-AGIUHOORSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000226813819 134370049 /nfs/dbraw/zinc/37/00/49/134370049.db2.gz VPTWHJVNVGHCGO-AGIUHOORSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1c[nH]cn1 ZINC000185200873 134375287 /nfs/dbraw/zinc/37/52/87/134375287.db2.gz DVTHWXULNXUWMF-QWHCGFSZSA-N 2 1 237.347 2.093 20 0 BEADMP C[NH+]1CCC([NH2+]CCC2=CCCC2)CC1 ZINC000090798462 383856809 /nfs/dbraw/zinc/85/68/09/383856809.db2.gz BEAVLOAELKCAQF-UHFFFAOYSA-N 2 1 208.349 2.171 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000069626873 383834435 /nfs/dbraw/zinc/83/44/35/383834435.db2.gz YWUQWTDDWTUTAH-MNOVXSKESA-N 2 1 224.373 2.307 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+]CC1CCSCC1 ZINC000401732847 383884118 /nfs/dbraw/zinc/88/41/18/383884118.db2.gz DRWFSRNIXCFUOY-LBPRGKRZSA-N 2 1 244.448 2.450 20 0 BEADMP [NH3+][C@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000050227949 383983022 /nfs/dbraw/zinc/98/30/22/383983022.db2.gz RJGTXTWFZPHABU-JSGCOSHPSA-N 2 1 216.328 2.097 20 0 BEADMP [NH3+][C@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000050227949 383983025 /nfs/dbraw/zinc/98/30/25/383983025.db2.gz RJGTXTWFZPHABU-JSGCOSHPSA-N 2 1 216.328 2.097 20 0 BEADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C1 ZINC000643543518 383983135 /nfs/dbraw/zinc/98/31/35/383983135.db2.gz VOULAYUESPJFMS-MJBXVCDLSA-N 2 1 240.391 2.051 20 0 BEADMP C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccco1 ZINC000037649097 383990827 /nfs/dbraw/zinc/99/08/27/383990827.db2.gz QIYNEAXCBTWPQI-NWDGAFQWSA-N 2 1 234.343 2.415 20 0 BEADMP C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccn1 ZINC000037649372 383992583 /nfs/dbraw/zinc/99/25/83/383992583.db2.gz MQNPEPXKKNPJHC-STQMWFEESA-N 2 1 245.370 2.217 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccn1 ZINC000037649372 383992591 /nfs/dbraw/zinc/99/25/91/383992591.db2.gz MQNPEPXKKNPJHC-STQMWFEESA-N 2 1 245.370 2.217 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccn1 ZINC000037649372 383992596 /nfs/dbraw/zinc/99/25/96/383992596.db2.gz MQNPEPXKKNPJHC-STQMWFEESA-N 2 1 245.370 2.217 20 0 BEADMP COC1(C[N@@H+](C)CCC[NH+](C)C)CCCCC1 ZINC000558416531 383993179 /nfs/dbraw/zinc/99/31/79/383993179.db2.gz XMOOGBBZMNVRNH-UHFFFAOYSA-N 2 1 242.407 2.219 20 0 BEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccnc1 ZINC000037140966 383944628 /nfs/dbraw/zinc/94/46/28/383944628.db2.gz LXCIIJBFFUVLOL-LBPRGKRZSA-N 2 1 245.370 2.359 20 0 BEADMP CC1(C)CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000070655267 383951924 /nfs/dbraw/zinc/95/19/24/383951924.db2.gz LPQSMEUKCQWJQG-LBPRGKRZSA-N 2 1 210.365 2.297 20 0 BEADMP CC1(C)CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000070655266 383952496 /nfs/dbraw/zinc/95/24/96/383952496.db2.gz LPQSMEUKCQWJQG-GFCCVEGCSA-N 2 1 210.365 2.297 20 0 BEADMP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)CS1 ZINC000336491084 384000791 /nfs/dbraw/zinc/00/07/91/384000791.db2.gz HHSJVJFDGRFHCW-OLZOCXBDSA-N 2 1 242.432 2.200 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000235876985 384021105 /nfs/dbraw/zinc/02/11/05/384021105.db2.gz SZTGHIXVHJQNCL-OAHLLOKOSA-N 2 1 232.371 2.474 20 0 BEADMP CCC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564973523 384053583 /nfs/dbraw/zinc/05/35/83/384053583.db2.gz NRQKIIISPOKHPD-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C)CCC2)[C@H](C)C1 ZINC000090219868 384036405 /nfs/dbraw/zinc/03/64/05/384036405.db2.gz IFGIANBTQISFAK-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccncc1 ZINC000643548528 384037195 /nfs/dbraw/zinc/03/71/95/384037195.db2.gz QLVRAVQOEPDDRR-JSGCOSHPSA-N 2 1 245.370 2.407 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2)CC[N@@H+]1C ZINC000090721541 384071955 /nfs/dbraw/zinc/07/19/55/384071955.db2.gz UXLBAUANSLMZAT-BXUZGUMPSA-N 2 1 236.334 2.398 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2)CC[N@H+]1C ZINC000090721541 384071959 /nfs/dbraw/zinc/07/19/59/384071959.db2.gz UXLBAUANSLMZAT-BXUZGUMPSA-N 2 1 236.334 2.398 20 0 BEADMP CC(C)[C@H]1CCC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000530460309 384072296 /nfs/dbraw/zinc/07/22/96/384072296.db2.gz JXITUXYYOGSRTJ-KGLIPLIRSA-N 2 1 235.375 2.377 20 0 BEADMP CCC[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)OC ZINC000449379261 384078619 /nfs/dbraw/zinc/07/86/19/384078619.db2.gz SIXIEUORTKRGRO-MJBXVCDLSA-N 2 1 242.407 2.121 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000309409126 384105885 /nfs/dbraw/zinc/10/58/85/384105885.db2.gz BMWYGPJTPRKVNW-YIZWMMSDSA-N 2 1 222.376 2.249 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000224085434 384128571 /nfs/dbraw/zinc/12/85/71/384128571.db2.gz SFSULZYIBGSAOM-CABZTGNLSA-N 2 1 224.373 2.226 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000163208075 384164369 /nfs/dbraw/zinc/16/43/69/384164369.db2.gz QYEKOMXKVMAXSJ-KOLCDFICSA-N 2 1 240.297 2.134 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000163208075 384164374 /nfs/dbraw/zinc/16/43/74/384164374.db2.gz QYEKOMXKVMAXSJ-KOLCDFICSA-N 2 1 240.297 2.134 20 0 BEADMP C[NH2+]CCC[N@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000309636651 384184875 /nfs/dbraw/zinc/18/48/75/384184875.db2.gz MYGIERPFAZSWBT-UPJWGTAASA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccsc1 ZINC000050340188 384193000 /nfs/dbraw/zinc/19/30/00/384193000.db2.gz VIPCAZDNAOPFPL-SNVBAGLBSA-N 2 1 224.373 2.493 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000558700118 384252120 /nfs/dbraw/zinc/25/21/20/384252120.db2.gz PJECVSPMODDHMB-LXTVHRRPSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000082645630 384253132 /nfs/dbraw/zinc/25/31/32/384253132.db2.gz YACRAAHCUORGQV-WCQYABFASA-N 2 1 210.365 2.236 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000228471953 384257186 /nfs/dbraw/zinc/25/71/86/384257186.db2.gz CJUGFXOBRUGASE-BPLDGKMQSA-N 2 1 248.345 2.385 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCc3ccccc3)C[C@H]21 ZINC000228471943 384257265 /nfs/dbraw/zinc/25/72/65/384257265.db2.gz JJPZCAXYXGHNLE-ARFHVFGLSA-N 2 1 244.382 2.288 20 0 BEADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)CC(F)F ZINC000647319770 384266029 /nfs/dbraw/zinc/26/60/29/384266029.db2.gz LHXUMNXMMNECDM-JTQLQIEISA-N 2 1 246.345 2.494 20 0 BEADMP CC(C)[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000011953195 384304722 /nfs/dbraw/zinc/30/47/22/384304722.db2.gz BDHPJWSPJJFUKH-UHFFFAOYSA-N 2 1 206.333 2.246 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000308823637 384313593 /nfs/dbraw/zinc/31/35/93/384313593.db2.gz HFEDIZAONRTMOW-CHWSQXEVSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)C1CC1 ZINC000083055491 384278947 /nfs/dbraw/zinc/27/89/47/384278947.db2.gz UFFBWFOMBNABCF-WCQYABFASA-N 2 1 210.365 2.106 20 0 BEADMP CCC[N@@H+](CC[C@H]1CCC[NH+]1C)C1CC1 ZINC000179422377 384289701 /nfs/dbraw/zinc/28/97/01/384289701.db2.gz VZPCDRCBSABSDQ-GFCCVEGCSA-N 2 1 210.365 2.345 20 0 BEADMP CCC[NH+](CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000179422377 384289706 /nfs/dbraw/zinc/28/97/06/384289706.db2.gz VZPCDRCBSABSDQ-GFCCVEGCSA-N 2 1 210.365 2.345 20 0 BEADMP CCC[NH+](CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC000179422377 384289711 /nfs/dbraw/zinc/28/97/11/384289711.db2.gz VZPCDRCBSABSDQ-GFCCVEGCSA-N 2 1 210.365 2.345 20 0 BEADMP Cc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1F ZINC000335480081 384298021 /nfs/dbraw/zinc/29/80/21/384298021.db2.gz ZLNJLIDLNMONRG-UHFFFAOYSA-N 2 1 222.307 2.056 20 0 BEADMP Cc1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1F ZINC000335480081 384298026 /nfs/dbraw/zinc/29/80/26/384298026.db2.gz ZLNJLIDLNMONRG-UHFFFAOYSA-N 2 1 222.307 2.056 20 0 BEADMP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+]C2CCCC2)cc1 ZINC000335494733 384300953 /nfs/dbraw/zinc/30/09/53/384300953.db2.gz FHABEKGYKQZTCY-LSDHHAIUSA-N 2 1 230.355 2.274 20 0 BEADMP CCC1([NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000449415648 384302206 /nfs/dbraw/zinc/30/22/06/384302206.db2.gz PVCREFWSMFJNLC-UHFFFAOYSA-N 2 1 239.388 2.237 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(C)CC1 ZINC000300359086 384357774 /nfs/dbraw/zinc/35/77/74/384357774.db2.gz MNCPLLRIZULHKZ-GRYCIOLGSA-N 2 1 210.365 2.105 20 0 BEADMP C[N@H+](Cc1cccc(O)c1)CC1CC[NH+](C)CC1 ZINC000134007076 384326191 /nfs/dbraw/zinc/32/61/91/384326191.db2.gz AHPYYXSEPAGWPE-UHFFFAOYSA-N 2 1 248.370 2.166 20 0 BEADMP CCCC[N@@H+](CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000084385229 384392697 /nfs/dbraw/zinc/39/26/97/384392697.db2.gz ANFROEKORSERCL-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP CC1(C[N@H+](CCN)Cc2ccccc2)CC1 ZINC000647512972 384414871 /nfs/dbraw/zinc/41/48/71/384414871.db2.gz ZOXWUILYAYBJCL-UHFFFAOYSA-N 2 1 218.344 2.247 20 0 BEADMP Cc1ccoc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000135152642 384418844 /nfs/dbraw/zinc/41/88/44/384418844.db2.gz IPYCMAMWKDJUCM-LBPRGKRZSA-N 2 1 236.359 2.410 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1cccc(OC(F)F)c1 ZINC000560961454 384425799 /nfs/dbraw/zinc/42/57/99/384425799.db2.gz UMVGGFBRSOFBJS-UHFFFAOYSA-N 2 1 244.285 2.069 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1c[nH+]ccc1N ZINC000566103998 384446390 /nfs/dbraw/zinc/44/63/90/384446390.db2.gz WJAYXVXRAUMNQP-NURSFMCSSA-N 2 1 231.343 2.333 20 0 BEADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)CC(F)F ZINC000647227017 384438122 /nfs/dbraw/zinc/43/81/22/384438122.db2.gz MHPXLQQJUSHISC-SDDRHHMPSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000037140989 384481445 /nfs/dbraw/zinc/48/14/45/384481445.db2.gz HKRYYNZJHMHYMK-JTQLQIEISA-N 2 1 208.349 2.001 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC=C(C)CC2)C1 ZINC000556816633 384502072 /nfs/dbraw/zinc/50/20/72/384502072.db2.gz FMIXTCSQHNRAQL-ZIAGYGMSSA-N 2 1 222.376 2.417 20 0 BEADMP Cc1ccsc1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000122726027 384505441 /nfs/dbraw/zinc/50/54/41/384505441.db2.gz LMTAIAIPRNSLKO-RYUDHWBXSA-N 2 1 238.400 2.486 20 0 BEADMP Cc1ccsc1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000122726027 384505444 /nfs/dbraw/zinc/50/54/44/384505444.db2.gz LMTAIAIPRNSLKO-RYUDHWBXSA-N 2 1 238.400 2.486 20 0 BEADMP FC1(F)CC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000309484230 384542429 /nfs/dbraw/zinc/54/24/29/384542429.db2.gz FRNJNHCAKCDLGK-GXSJLCMTSA-N 2 1 230.302 2.001 20 0 BEADMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccncc1 ZINC000019905772 384556654 /nfs/dbraw/zinc/55/66/54/384556654.db2.gz TXIUARBZNMHFNA-GFCCVEGCSA-N 2 1 235.375 2.320 20 0 BEADMP CC(C)[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040621547 384589493 /nfs/dbraw/zinc/58/94/93/384589493.db2.gz AFXVSPFALRJPHW-STQMWFEESA-N 2 1 212.381 2.351 20 0 BEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000040621385 384589836 /nfs/dbraw/zinc/58/98/36/384589836.db2.gz JRICFOBWVDHJLY-KBPBESRZSA-N 2 1 247.386 2.463 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000040621385 384589846 /nfs/dbraw/zinc/58/98/46/384589846.db2.gz JRICFOBWVDHJLY-KBPBESRZSA-N 2 1 247.386 2.463 20 0 BEADMP CSCCC[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000300855845 384611276 /nfs/dbraw/zinc/61/12/76/384611276.db2.gz OKYQYOAACCPFOJ-RYUDHWBXSA-N 2 1 230.421 2.059 20 0 BEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC000020523984 384621996 /nfs/dbraw/zinc/62/19/96/384621996.db2.gz ZSEGKKPMXQEOKZ-JZIBPQBNSA-N 2 1 245.370 2.357 20 0 BEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC000020523984 384622004 /nfs/dbraw/zinc/62/20/04/384622004.db2.gz ZSEGKKPMXQEOKZ-JZIBPQBNSA-N 2 1 245.370 2.357 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@H]2CCCCC2(F)F)CC1 ZINC000336144954 384630865 /nfs/dbraw/zinc/63/08/65/384630865.db2.gz DKAMLOHXOMIGGL-LLVKDONJSA-N 2 1 246.345 2.496 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403438453 384664645 /nfs/dbraw/zinc/66/46/45/384664645.db2.gz ZHKWBKZQNCAOPV-MCIONIFRSA-N 2 1 233.359 2.217 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403438450 384665903 /nfs/dbraw/zinc/66/59/03/384665903.db2.gz ZHKWBKZQNCAOPV-HZSPNIEDSA-N 2 1 233.359 2.217 20 0 BEADMP C[C@H](C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)C(C)(C)C ZINC000647533982 384645177 /nfs/dbraw/zinc/64/51/77/384645177.db2.gz CZDJFDPZPMTZOZ-FRRDWIJNSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000647534539 384647110 /nfs/dbraw/zinc/64/71/10/384647110.db2.gz QDUWHPUUIDELQL-LXTVHRRPSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000647535594 384651761 /nfs/dbraw/zinc/65/17/61/384651761.db2.gz VMMYBKDQLXDCAU-OKILXGFUSA-N 2 1 244.382 2.115 20 0 BEADMP CC[N@@H+](CCC1CC1)CC1CC[NH2+]CC1 ZINC000086703081 384679027 /nfs/dbraw/zinc/67/90/27/384679027.db2.gz IGIDSMXMXSWZOJ-UHFFFAOYSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300358199 384683426 /nfs/dbraw/zinc/68/34/26/384683426.db2.gz CTXGMSAWONUCHY-BBBLOLIVSA-N 2 1 238.297 2.400 20 0 BEADMP C[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300358199 384683431 /nfs/dbraw/zinc/68/34/31/384683431.db2.gz CTXGMSAWONUCHY-BBBLOLIVSA-N 2 1 238.297 2.400 20 0 BEADMP CC1(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647542819 384704024 /nfs/dbraw/zinc/70/40/24/384704024.db2.gz CKOIFMOWLOMTAG-UONOGXRCSA-N 2 1 236.403 2.498 20 0 BEADMP FC1(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647543747 384713467 /nfs/dbraw/zinc/71/34/67/384713467.db2.gz RPJHQPHJYKERLV-QWHCGFSZSA-N 2 1 240.366 2.200 20 0 BEADMP C[C@]1(C[N@H+]2CC[C@H](C3CCC3)C2)CC[NH2+]C1 ZINC000647552013 384757892 /nfs/dbraw/zinc/75/78/92/384757892.db2.gz AHNDZPNZLLLZIB-KBPBESRZSA-N 2 1 222.376 2.108 20 0 BEADMP Cc1ccc(F)cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000083363897 384766144 /nfs/dbraw/zinc/76/61/44/384766144.db2.gz CHLZHICJZXROTL-UHFFFAOYSA-N 2 1 236.334 2.318 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000301013745 384829921 /nfs/dbraw/zinc/82/99/21/384829921.db2.gz ZEZNXFMIMGGYOE-RWMBFGLXSA-N 2 1 212.381 2.338 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)CC ZINC000308597408 384831593 /nfs/dbraw/zinc/83/15/93/384831593.db2.gz NARQFMXKEFLPFK-NEPJUHHUSA-N 2 1 200.370 2.495 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)CC ZINC000308597408 384831608 /nfs/dbraw/zinc/83/16/08/384831608.db2.gz NARQFMXKEFLPFK-NEPJUHHUSA-N 2 1 200.370 2.495 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000105480646 384784025 /nfs/dbraw/zinc/78/40/25/384784025.db2.gz JPRHVNFZRMBVTD-GXFFZTMASA-N 2 1 238.400 2.486 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000105480646 384784033 /nfs/dbraw/zinc/78/40/33/384784033.db2.gz JPRHVNFZRMBVTD-GXFFZTMASA-N 2 1 238.400 2.486 20 0 BEADMP [NH3+][C@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)C1CC1 ZINC000423312869 384794528 /nfs/dbraw/zinc/79/45/28/384794528.db2.gz DXDDGKQNOFNBJP-ZIAGYGMSSA-N 2 1 234.318 2.140 20 0 BEADMP CCC[NH+]1CCC([N@@H+](C)CCSC)CC1 ZINC000177052441 384856322 /nfs/dbraw/zinc/85/63/22/384856322.db2.gz PMVWAEKMYJAGEL-UHFFFAOYSA-N 2 1 230.421 2.156 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccs1 ZINC000049712689 384899922 /nfs/dbraw/zinc/89/99/22/384899922.db2.gz RPMZHVZUTQBWJA-NXEZZACHSA-N 2 1 210.346 2.060 20 0 BEADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@H](C)C1(C)CC1 ZINC000127639257 384908632 /nfs/dbraw/zinc/90/86/32/384908632.db2.gz ZSASOVXGKXGCHO-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)C[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336268401 384909125 /nfs/dbraw/zinc/90/91/25/384909125.db2.gz IAVNRIPBFNAGDD-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)C[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336268401 384909132 /nfs/dbraw/zinc/90/91/32/384909132.db2.gz IAVNRIPBFNAGDD-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)C[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336268401 384909137 /nfs/dbraw/zinc/90/91/37/384909137.db2.gz IAVNRIPBFNAGDD-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccn2)C1 ZINC000250497352 384909582 /nfs/dbraw/zinc/90/95/82/384909582.db2.gz JRICFOBWVDHJLY-ZIAGYGMSSA-N 2 1 247.386 2.463 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccn2)C1 ZINC000250497352 384909587 /nfs/dbraw/zinc/90/95/87/384909587.db2.gz JRICFOBWVDHJLY-ZIAGYGMSSA-N 2 1 247.386 2.463 20 0 BEADMP CC[C@@H]([NH2+]CC[N@H+](CC)C(C)C)[C@H]1CCOC1 ZINC000156631193 384911590 /nfs/dbraw/zinc/91/15/90/384911590.db2.gz YDCISLHLRCUMDT-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@@H]([NH2+]CC[N@@H+](CC)C(C)C)[C@H]1CCOC1 ZINC000156631193 384911602 /nfs/dbraw/zinc/91/16/02/384911602.db2.gz YDCISLHLRCUMDT-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP COC1(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)CCCC1 ZINC000318932278 384916527 /nfs/dbraw/zinc/91/65/27/384916527.db2.gz ANVVYQUHFWOLFB-QWHCGFSZSA-N 2 1 240.391 2.005 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(CC)OC)[C@H](C)C1 ZINC000449474811 384920244 /nfs/dbraw/zinc/92/02/44/384920244.db2.gz KJFNBGKITQRKFO-HZSPNIEDSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@@](C)(C[NH2+]CCC[N@@H+](C)C(C)C)OC ZINC000318936913 384920426 /nfs/dbraw/zinc/92/04/26/384920426.db2.gz BHTZBUZSUUFJRC-ZDUSSCGKSA-N 2 1 230.396 2.121 20 0 BEADMP CC(C)(C)[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000257777260 384926596 /nfs/dbraw/zinc/92/65/96/384926596.db2.gz MRQDOHUKJVNXEE-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)[C@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000257770884 384927423 /nfs/dbraw/zinc/92/74/23/384927423.db2.gz IFTVDTFCCSQSJX-ZIAGYGMSSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000156682527 384928568 /nfs/dbraw/zinc/92/85/68/384928568.db2.gz WJJRVLVDCCSGMU-FQUUOJAGSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156682527 384928575 /nfs/dbraw/zinc/92/85/75/384928575.db2.gz WJJRVLVDCCSGMU-FQUUOJAGSA-N 2 1 240.391 2.016 20 0 BEADMP CC(C)(C)[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000257777261 384929285 /nfs/dbraw/zinc/92/92/85/384929285.db2.gz MRQDOHUKJVNXEE-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CCc1ccc(C(C)(C)C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000259228665 384960012 /nfs/dbraw/zinc/96/00/12/384960012.db2.gz XVVPHHWBMOZWCJ-HNNXBMFYSA-N 2 1 246.398 2.478 20 0 BEADMP Cc1cc(N2CCC[C@@H](C)[C@H]2CC[NH3+])nc(C)[nH+]1 ZINC000404369369 384972389 /nfs/dbraw/zinc/97/23/89/384972389.db2.gz QLASJMUVCGUXNC-ZWNOBZJWSA-N 2 1 248.374 2.047 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)C1CCOCC1 ZINC000156827862 384977877 /nfs/dbraw/zinc/97/78/77/384977877.db2.gz YKNIITCUVAZHRN-ZDUSSCGKSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)C1CCOCC1 ZINC000156827862 384977879 /nfs/dbraw/zinc/97/78/79/384977879.db2.gz YKNIITCUVAZHRN-ZDUSSCGKSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058041114 384980546 /nfs/dbraw/zinc/98/05/46/384980546.db2.gz IMUMZPSUQCFIOJ-JSGCOSHPSA-N 2 1 218.344 2.246 20 0 BEADMP Cc1ncsc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000164422500 384988602 /nfs/dbraw/zinc/98/86/02/384988602.db2.gz QXIPGEBDJNWGDP-UHFFFAOYSA-N 2 1 241.404 2.271 20 0 BEADMP Cc1ncsc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000164422500 384988608 /nfs/dbraw/zinc/98/86/08/384988608.db2.gz QXIPGEBDJNWGDP-UHFFFAOYSA-N 2 1 241.404 2.271 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccoc1 ZINC000094868873 384988773 /nfs/dbraw/zinc/98/87/73/384988773.db2.gz JAJYPCRNVXSYEQ-NEPJUHHUSA-N 2 1 234.343 2.415 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccoc1 ZINC000094868873 384988779 /nfs/dbraw/zinc/98/87/79/384988779.db2.gz JAJYPCRNVXSYEQ-NEPJUHHUSA-N 2 1 234.343 2.415 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)C1CCCC1 ZINC000423516872 385014317 /nfs/dbraw/zinc/01/43/17/385014317.db2.gz YGAPKTZBVLPPJG-MJBXVCDLSA-N 2 1 222.376 2.282 20 0 BEADMP [NH3+][C@@H]1C[C@H]([NH2+]CC2=CCCOC2)c2ccccc21 ZINC000336230847 385015718 /nfs/dbraw/zinc/01/57/18/385015718.db2.gz QFNAVPFFDJFVAS-CABCVRRESA-N 2 1 244.338 2.068 20 0 BEADMP C[C@@H](Cn1ccnc1)Nc1cc[nH+]cc1Cl ZINC000086833118 385052646 /nfs/dbraw/zinc/05/26/46/385052646.db2.gz IZRHXGMIGQMYNK-VIFPVBQESA-N 2 1 236.706 2.432 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000163470497 385076441 /nfs/dbraw/zinc/07/64/41/385076441.db2.gz HGWYNHIXNXPMCB-UKRRQHHQSA-N 2 1 232.371 2.412 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000157116687 385077235 /nfs/dbraw/zinc/07/72/35/385077235.db2.gz XETDFYCGWJVXQD-ONGXEEELSA-N 2 1 240.297 2.134 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000157116687 385077239 /nfs/dbraw/zinc/07/72/39/385077239.db2.gz XETDFYCGWJVXQD-ONGXEEELSA-N 2 1 240.297 2.134 20 0 BEADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000157115036 385079545 /nfs/dbraw/zinc/07/95/45/385079545.db2.gz LMVGBAQASXHWRH-ONGXEEELSA-N 2 1 240.297 2.134 20 0 BEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(F)cc(F)c1 ZINC000157115036 385079549 /nfs/dbraw/zinc/07/95/49/385079549.db2.gz LMVGBAQASXHWRH-ONGXEEELSA-N 2 1 240.297 2.134 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC23CC3)[C@@H]2CCC[C@@H]21 ZINC000424321272 385162826 /nfs/dbraw/zinc/16/28/26/385162826.db2.gz KCMFLPRVTBXEMI-ZDEQEGDKSA-N 2 1 220.360 2.001 20 0 BEADMP CC[NH+]1CCC([N@H+](C)CCCCCOC)CC1 ZINC000157407833 385165248 /nfs/dbraw/zinc/16/52/48/385165248.db2.gz RSJCSNHJKCSJLI-UHFFFAOYSA-N 2 1 242.407 2.219 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)CCCCCOC)CC1 ZINC000157407833 385165252 /nfs/dbraw/zinc/16/52/52/385165252.db2.gz RSJCSNHJKCSJLI-UHFFFAOYSA-N 2 1 242.407 2.219 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccccc2)CC[N@@H+]1C ZINC000129652247 385174584 /nfs/dbraw/zinc/17/45/84/385174584.db2.gz XBJHOCRFFJIVDB-ZIAGYGMSSA-N 2 1 248.370 2.138 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccccc2)CC[N@H+]1C ZINC000129652247 385174592 /nfs/dbraw/zinc/17/45/92/385174592.db2.gz XBJHOCRFFJIVDB-ZIAGYGMSSA-N 2 1 248.370 2.138 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCCSC1 ZINC000252714390 385222385 /nfs/dbraw/zinc/22/23/85/385222385.db2.gz RVVIQCLXNZALAC-FVCCEPFGSA-N 2 1 242.432 2.200 20 0 BEADMP CCC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CCC1 ZINC000252714912 385223753 /nfs/dbraw/zinc/22/37/53/385223753.db2.gz UAHJAVIUJKEGDE-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1(C)CC1 ZINC000037485299 385302995 /nfs/dbraw/zinc/30/29/95/385302995.db2.gz BTKOKAVPNQUBFC-NWDGAFQWSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@H]([NH2+]CC[NH3+])c1cccc2ccccc21 ZINC000037712349 385273236 /nfs/dbraw/zinc/27/32/36/385273236.db2.gz RVKCNXZTXIAGGC-NSHDSACASA-N 2 1 214.312 2.449 20 0 BEADMP CC1(C)CCC[C@@H](C[N@H+]2CC[C@@H](C[NH3+])C2)C1 ZINC000647490853 385282059 /nfs/dbraw/zinc/28/20/59/385282059.db2.gz VOCAWENLJACLBV-OLZOCXBDSA-N 2 1 224.392 2.483 20 0 BEADMP CC(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000307808755 385288654 /nfs/dbraw/zinc/28/86/54/385288654.db2.gz MTJVPLFJLWRXMS-UONOGXRCSA-N 2 1 224.392 2.354 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C2CCC2)C1 ZINC000178510419 385291270 /nfs/dbraw/zinc/29/12/70/385291270.db2.gz SDQJFFZKWWRFBI-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C2CCC2)[C@@H]2CCC[C@@H]21 ZINC000308924849 385296605 /nfs/dbraw/zinc/29/66/05/385296605.db2.gz HXXNZNYTIBFCLI-AVGNSLFASA-N 2 1 208.349 2.001 20 0 BEADMP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000361922421 385342248 /nfs/dbraw/zinc/34/22/48/385342248.db2.gz AAVUGKFBMYSNTL-YRGRVCCFSA-N 2 1 236.359 2.283 20 0 BEADMP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000361922421 385342255 /nfs/dbraw/zinc/34/22/55/385342255.db2.gz AAVUGKFBMYSNTL-YRGRVCCFSA-N 2 1 236.359 2.283 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000228204681 385363139 /nfs/dbraw/zinc/36/31/39/385363139.db2.gz ZPZHCIHRZUVCFQ-GXTWGEPZSA-N 2 1 218.344 2.164 20 0 BEADMP C[C@@H](C[NH3+])[N@H+](C)Cc1cccc2cnccc21 ZINC000647496011 385380367 /nfs/dbraw/zinc/38/03/67/385380367.db2.gz BKFYHWQWEFDULR-NSHDSACASA-N 2 1 229.327 2.014 20 0 BEADMP C[C@@H](C[NH3+])[N@@H+](C)Cc1cccc2cnccc21 ZINC000647496011 385380371 /nfs/dbraw/zinc/38/03/71/385380371.db2.gz BKFYHWQWEFDULR-NSHDSACASA-N 2 1 229.327 2.014 20 0 BEADMP CC[NH+](CC)[C@@H](C)C[NH2+]C1CC(C)(C)C1 ZINC000309049635 385383882 /nfs/dbraw/zinc/38/38/82/385383882.db2.gz QDSYUDJOCMHLRR-NSHDSACASA-N 2 1 212.381 2.495 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000309058778 385395786 /nfs/dbraw/zinc/39/57/86/385395786.db2.gz VPCPDWVNWCZAPI-FVCCEPFGSA-N 2 1 212.381 2.351 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)C1CCC1 ZINC000309075942 385397434 /nfs/dbraw/zinc/39/74/34/385397434.db2.gz KJOFGXQXLGQLQP-GFCCVEGCSA-N 2 1 212.381 2.495 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1cccc2cnccc21 ZINC000647497036 385398570 /nfs/dbraw/zinc/39/85/70/385398570.db2.gz YTVMIQPFQKNIQZ-UHFFFAOYSA-N 2 1 229.327 2.015 20 0 BEADMP CCc1cc(OC)ccc1C[N@@H+](C)CCC[NH3+] ZINC000647497016 385399693 /nfs/dbraw/zinc/39/96/93/385399693.db2.gz RIUDFMGGDRCHAU-UHFFFAOYSA-N 2 1 236.359 2.038 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000309072614 385403421 /nfs/dbraw/zinc/40/34/21/385403421.db2.gz GFJVJBADYYYHHX-UPJWGTAASA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000309072614 385403427 /nfs/dbraw/zinc/40/34/27/385403427.db2.gz GFJVJBADYYYHHX-UPJWGTAASA-N 2 1 212.381 2.493 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)C1CC1 ZINC000309172069 385447936 /nfs/dbraw/zinc/44/79/36/385447936.db2.gz LOEORWAWVVRYAX-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)C1CC1 ZINC000309172069 385447939 /nfs/dbraw/zinc/44/79/39/385447939.db2.gz LOEORWAWVVRYAX-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000309125144 385429345 /nfs/dbraw/zinc/42/93/45/385429345.db2.gz VZIRBCBKMYQWBS-RYUDHWBXSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000309125144 385429349 /nfs/dbraw/zinc/42/93/49/385429349.db2.gz VZIRBCBKMYQWBS-RYUDHWBXSA-N 2 1 212.381 2.493 20 0 BEADMP [NH3+]CC[C@H]1CCC[N@@H+](CCCCCF)C1 ZINC000336720728 385468901 /nfs/dbraw/zinc/46/89/01/385468901.db2.gz ZWVMNMIMLQXGPH-GFCCVEGCSA-N 2 1 216.344 2.187 20 0 BEADMP CC[C@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1C ZINC000309326014 385530215 /nfs/dbraw/zinc/53/02/15/385530215.db2.gz HYSMVXPDBPOAQH-QWHCGFSZSA-N 2 1 221.348 2.360 20 0 BEADMP Cc1[nH]c2nc[nH+]c(N[C@@H](C)CCC[NH3+])c2c1C ZINC000647708652 385594825 /nfs/dbraw/zinc/59/48/25/385594825.db2.gz UVAVKXBPMJHKBI-QMMMGPOBSA-N 2 1 247.346 2.114 20 0 BEADMP C[NH+](C)CCC[N@@H+](C)CC1CCCCC1 ZINC000337293288 385586461 /nfs/dbraw/zinc/58/64/61/385586461.db2.gz GRCUOTAKDBWEGS-UHFFFAOYSA-N 2 1 212.381 2.450 20 0 BEADMP C[C@H](CCC1CC1)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000336734752 385680972 /nfs/dbraw/zinc/68/09/72/385680972.db2.gz HNONZADLYJLQME-BXUZGUMPSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H](CCC1CC1)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000336734755 385683957 /nfs/dbraw/zinc/68/39/57/385683957.db2.gz HNONZADLYJLQME-SMDDNHRTSA-N 2 1 224.392 2.495 20 0 BEADMP c1cn(CCC[N@H+]2CCc3ccccc3C2)cn1 ZINC000182615426 385688004 /nfs/dbraw/zinc/68/80/04/385688004.db2.gz NZMRLIIGFBLWSG-UHFFFAOYSA-N 2 1 241.338 2.332 20 0 BEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CCCC1 ZINC000309557242 385695507 /nfs/dbraw/zinc/69/55/07/385695507.db2.gz KAJZLLIYAXEAKU-GFCCVEGCSA-N 2 1 222.376 2.417 20 0 BEADMP Cc1ncccc1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414854768 385697332 /nfs/dbraw/zinc/69/73/32/385697332.db2.gz VKZQHVROCKQDJI-OAHLLOKOSA-N 2 1 247.386 2.387 20 0 BEADMP [NH3+]C[C@H]([NH2+]Cc1cccnc1)C1CCCCC1 ZINC000414855919 385707267 /nfs/dbraw/zinc/70/72/67/385707267.db2.gz XXJYUYXWOVTYPI-AWEZNQCLSA-N 2 1 233.359 2.079 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000309576754 385708536 /nfs/dbraw/zinc/70/85/36/385708536.db2.gz PEBXKBQERWLNBE-IGHBBLSQSA-N 2 1 222.376 2.247 20 0 BEADMP CCC[C@]1(C)CCC[N@@H+](CCC[NH2+]C)C1 ZINC000336689183 385710129 /nfs/dbraw/zinc/71/01/29/385710129.db2.gz VVNGFTPPEGITOQ-CYBMUJFWSA-N 2 1 212.381 2.498 20 0 BEADMP CC(C)CCC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000363854205 385746854 /nfs/dbraw/zinc/74/68/54/385746854.db2.gz MXILQICIJBYOFT-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000363854205 385746862 /nfs/dbraw/zinc/74/68/62/385746862.db2.gz MXILQICIJBYOFT-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CCC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000363854205 385746868 /nfs/dbraw/zinc/74/68/68/385746868.db2.gz MXILQICIJBYOFT-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CCC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000363854205 385746872 /nfs/dbraw/zinc/74/68/72/385746872.db2.gz MXILQICIJBYOFT-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP c1ccc(OCCCCC[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414864237 385766792 /nfs/dbraw/zinc/76/67/92/385766792.db2.gz BPLZNEAZIJWHOV-CQSZACIVSA-N 2 1 248.370 2.187 20 0 BEADMP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414865318 385768301 /nfs/dbraw/zinc/76/83/01/385768301.db2.gz KPRAEVRKSKRUPO-VHSXEESVSA-N 2 1 238.297 2.449 20 0 BEADMP CC[N@@H+](CCC(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000309652763 385770022 /nfs/dbraw/zinc/77/00/22/385770022.db2.gz UFRXJYLWLXDERW-CYBMUJFWSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@H](C[NH3+])[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000414943763 385775661 /nfs/dbraw/zinc/77/56/61/385775661.db2.gz MLHLDJOPUKJGAD-VIFPVBQESA-N 2 1 249.745 2.325 20 0 BEADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000414943814 385778267 /nfs/dbraw/zinc/77/82/67/385778267.db2.gz MVMAEHHTIVLGQB-SRVKXCTJSA-N 2 1 200.370 2.384 20 0 BEADMP CC(C)C[C@@H](C)C[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000414943816 385778460 /nfs/dbraw/zinc/77/84/60/385778460.db2.gz MVMAEHHTIVLGQB-UTUOFQBUSA-N 2 1 200.370 2.384 20 0 BEADMP CC(C)[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000414866527 385780075 /nfs/dbraw/zinc/78/00/75/385780075.db2.gz FITSDYZSLWXBIL-HUUCEWRRSA-N 2 1 232.371 2.378 20 0 BEADMP CC[N@@H+](CCn1ccnc1)Cc1cccs1 ZINC000183635580 385782803 /nfs/dbraw/zinc/78/28/03/385782803.db2.gz HHZPWUWGQBPDJY-UHFFFAOYSA-N 2 1 235.356 2.467 20 0 BEADMP CCC[NH2+]CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000414871503 385857003 /nfs/dbraw/zinc/85/70/03/385857003.db2.gz OAMACQVTRFVWKE-OAHLLOKOSA-N 2 1 232.371 2.133 20 0 BEADMP CC[NH2+][C@H](C)C[NH2+][C@@H](C)Cc1ccccc1F ZINC000414952678 385826477 /nfs/dbraw/zinc/82/64/77/385826477.db2.gz IOTJWLMPOBMHEB-NWDGAFQWSA-N 2 1 238.350 2.344 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)nc1C ZINC000335595754 385826786 /nfs/dbraw/zinc/82/67/86/385826786.db2.gz OOIVTSBTIPOSPH-DOMZBBRYSA-N 2 1 247.386 2.176 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCS[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000647804759 385839806 /nfs/dbraw/zinc/83/98/06/385839806.db2.gz YIDNHYPUVUPKCB-RHYQMDGZSA-N 2 1 228.405 2.001 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1c[nH+]ccc1N ZINC000647804429 385840341 /nfs/dbraw/zinc/84/03/41/385840341.db2.gz QKIAZYGBIOFSTB-IRCOFANPSA-N 2 1 231.343 2.333 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1c[nH+]ccc1N ZINC000647804393 385841262 /nfs/dbraw/zinc/84/12/62/385841262.db2.gz PGVCVUYYOXHHGQ-HOTUBEGUSA-N 2 1 237.372 2.039 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCCCCF)C1 ZINC000336706142 385791372 /nfs/dbraw/zinc/79/13/72/385791372.db2.gz RIDGGTQFTFPFKG-RYUDHWBXSA-N 2 1 216.344 2.185 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCCCCF)C1 ZINC000336706143 385791522 /nfs/dbraw/zinc/79/15/22/385791522.db2.gz RIDGGTQFTFPFKG-VXGBXAGGSA-N 2 1 216.344 2.185 20 0 BEADMP CC(C)C1(C[N@H+]2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000638077464 385797048 /nfs/dbraw/zinc/79/70/48/385797048.db2.gz TYKVHWIDTYXSNZ-CYBMUJFWSA-N 2 1 224.392 2.306 20 0 BEADMP CC(C)CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000122132706 385888959 /nfs/dbraw/zinc/88/89/59/385888959.db2.gz GSDHUHDQDJRVIO-OLZOCXBDSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000414964202 385902157 /nfs/dbraw/zinc/90/21/57/385902157.db2.gz YJINIMWHHBELFC-DOERSZECSA-N 2 1 222.376 2.295 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000353565922 385907742 /nfs/dbraw/zinc/90/77/42/385907742.db2.gz LIJUMCJNDWOTAO-OLZOCXBDSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000353565922 385907744 /nfs/dbraw/zinc/90/77/44/385907744.db2.gz LIJUMCJNDWOTAO-OLZOCXBDSA-N 2 1 242.407 2.120 20 0 BEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC1CCCCC1 ZINC000122312460 385910420 /nfs/dbraw/zinc/91/04/20/385910420.db2.gz CGUUJETWSSGYCW-DGCLKSJQSA-N 2 1 210.365 2.236 20 0 BEADMP CN(Cc1ccncc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285355388 385916820 /nfs/dbraw/zinc/91/68/20/385916820.db2.gz BDUDNUIXXJLRBM-YIONKMFJSA-N 2 1 245.370 2.139 20 0 BEADMP C[N@H+](Cc1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285355388 385916824 /nfs/dbraw/zinc/91/68/24/385916824.db2.gz BDUDNUIXXJLRBM-YIONKMFJSA-N 2 1 245.370 2.139 20 0 BEADMP C[N@@H+](Cc1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285355388 385916829 /nfs/dbraw/zinc/91/68/29/385916829.db2.gz BDUDNUIXXJLRBM-YIONKMFJSA-N 2 1 245.370 2.139 20 0 BEADMP C[NH+](Cc1ccncc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285355388 385916834 /nfs/dbraw/zinc/91/68/34/385916834.db2.gz BDUDNUIXXJLRBM-YIONKMFJSA-N 2 1 245.370 2.139 20 0 BEADMP C[NH+](Cc1ccncc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285355388 385916838 /nfs/dbraw/zinc/91/68/38/385916838.db2.gz BDUDNUIXXJLRBM-YIONKMFJSA-N 2 1 245.370 2.139 20 0 BEADMP Cc1cc(F)c(C[NH2+]C[C@H](C)C[NH3+])c(Cl)c1 ZINC000414871603 385862566 /nfs/dbraw/zinc/86/25/66/385862566.db2.gz DLHJWBBNHWYYAV-SECBINFHSA-N 2 1 244.741 2.472 20 0 BEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCCCCF)C1 ZINC000336720731 385880897 /nfs/dbraw/zinc/88/08/97/385880897.db2.gz ZWVMNMIMLQXGPH-LBPRGKRZSA-N 2 1 216.344 2.187 20 0 BEADMP C[C@H]([NH2+][C@H]1CCC1(C)C)c1c[nH+]ccc1N ZINC000335018275 385976283 /nfs/dbraw/zinc/97/62/83/385976283.db2.gz RXSCVCHUSSOYSI-CABZTGNLSA-N 2 1 219.332 2.333 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1C ZINC000414136449 385983444 /nfs/dbraw/zinc/98/34/44/385983444.db2.gz FOTWEPLOBQCXGB-FVCCEPFGSA-N 2 1 212.381 2.349 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1C ZINC000414136449 385983452 /nfs/dbraw/zinc/98/34/52/385983452.db2.gz FOTWEPLOBQCXGB-FVCCEPFGSA-N 2 1 212.381 2.349 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@H]1C[C@H]1C ZINC000414136466 385984221 /nfs/dbraw/zinc/98/42/21/385984221.db2.gz FOTWEPLOBQCXGB-NDBYEHHHSA-N 2 1 212.381 2.349 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@H]1C[C@H]1C ZINC000414136466 385984228 /nfs/dbraw/zinc/98/42/28/385984228.db2.gz FOTWEPLOBQCXGB-NDBYEHHHSA-N 2 1 212.381 2.349 20 0 BEADMP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)C)s1 ZINC000336767803 385930590 /nfs/dbraw/zinc/93/05/90/385930590.db2.gz SRTKKLAVFDPDBA-UHFFFAOYSA-N 2 1 227.377 2.093 20 0 BEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000335041387 385932822 /nfs/dbraw/zinc/93/28/22/385932822.db2.gz PWPFXVMRJWBKHU-RYUDHWBXSA-N 2 1 224.735 2.309 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000414067621 385944038 /nfs/dbraw/zinc/94/40/38/385944038.db2.gz JDLRBWCGZFAQJF-DMDPSCGWSA-N 2 1 221.348 2.216 20 0 BEADMP [NH3+]C1(C[NH2+][C@H]2CCCOc3ccccc32)CCC1 ZINC000335052471 385952197 /nfs/dbraw/zinc/95/21/97/385952197.db2.gz LKRGYMXXNBGVRQ-ZDUSSCGKSA-N 2 1 246.354 2.371 20 0 BEADMP CCC1CC([N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000335056471 385956245 /nfs/dbraw/zinc/95/62/45/385956245.db2.gz LEMHVMZIBRHIFE-IKWCTNDRSA-N 2 1 210.365 2.092 20 0 BEADMP C1CCC2(C1)CCC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000335056884 385957013 /nfs/dbraw/zinc/95/70/13/385957013.db2.gz ASJOCCZKVKIZGM-CHWSQXEVSA-N 2 1 222.376 2.441 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H](CO)CC(C)C ZINC000338297787 385958613 /nfs/dbraw/zinc/95/86/13/385958613.db2.gz XCKDIFSAEXLNMQ-CQSZACIVSA-N 2 1 244.423 2.057 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000335013359 385968619 /nfs/dbraw/zinc/96/86/19/385968619.db2.gz UEBFBFPMVWTYNZ-KBPBESRZSA-N 2 1 233.359 2.140 20 0 BEADMP C[C@H](CC[NH3+])[NH2+]Cc1cccc(Cl)c1F ZINC000220491669 385968813 /nfs/dbraw/zinc/96/88/13/385968813.db2.gz QMGZQJWGRRGVAQ-MRVPVSSYSA-N 2 1 230.714 2.306 20 0 BEADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1C[C@H]1C ZINC000414146338 385994363 /nfs/dbraw/zinc/99/43/63/385994363.db2.gz KYMBWVPWAXNXBQ-YRGRVCCFSA-N 2 1 224.392 2.495 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](C)CCCSC ZINC000338345927 385975047 /nfs/dbraw/zinc/97/50/47/385975047.db2.gz IQPIRDFRBAPQMH-UHFFFAOYSA-N 2 1 232.437 2.403 20 0 BEADMP CC(C)CCC[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000338439546 386002511 /nfs/dbraw/zinc/00/25/11/386002511.db2.gz MQKMSXGHDVSNGO-UHFFFAOYSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000414882054 386002920 /nfs/dbraw/zinc/00/29/20/386002920.db2.gz LVOQYWONSFTLSS-OBJOEFQTSA-N 2 1 218.344 2.130 20 0 BEADMP COCC[C@H](C)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000345146729 386012956 /nfs/dbraw/zinc/01/29/56/386012956.db2.gz BSMFEWGHWCJZSG-IHRRRGAJSA-N 2 1 242.407 2.264 20 0 BEADMP COCC[C@H](C)[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000345146729 386012963 /nfs/dbraw/zinc/01/29/63/386012963.db2.gz BSMFEWGHWCJZSG-IHRRRGAJSA-N 2 1 242.407 2.264 20 0 BEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCC2(C)C)C1 ZINC000414168602 386015996 /nfs/dbraw/zinc/01/59/96/386015996.db2.gz ANUPTYXQDIYIGU-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccnc1 ZINC000414185505 386024853 /nfs/dbraw/zinc/02/48/53/386024853.db2.gz OTDAYPUSAYMWGX-KGLIPLIRSA-N 2 1 247.386 2.464 20 0 BEADMP [NH3+][C@H](C[NH2+]Cc1ccc2ncccc2c1)C1CC1 ZINC000414883970 386035200 /nfs/dbraw/zinc/03/52/00/386035200.db2.gz AMZUBZNNWSXPKJ-CQSZACIVSA-N 2 1 241.338 2.062 20 0 BEADMP CC(C)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334429122 386039476 /nfs/dbraw/zinc/03/94/76/386039476.db2.gz IRTHRNMXDNCYAN-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP CC(C)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334429122 386039482 /nfs/dbraw/zinc/03/94/82/386039482.db2.gz IRTHRNMXDNCYAN-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP CC(C)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000334429122 386039488 /nfs/dbraw/zinc/03/94/88/386039488.db2.gz IRTHRNMXDNCYAN-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]C/C=C/c1ccc(F)cc1F ZINC000414979225 386043495 /nfs/dbraw/zinc/04/34/95/386043495.db2.gz NEGVPZHXODNVHY-PCAWENJQSA-N 2 1 240.297 2.305 20 0 BEADMP C[C@@H](CC[NH3+])[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000414884183 386046009 /nfs/dbraw/zinc/04/60/09/386046009.db2.gz AYEJIQCOMSPNCH-VIFPVBQESA-N 2 1 241.404 2.268 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000414163020 386046385 /nfs/dbraw/zinc/04/63/85/386046385.db2.gz MSPMAYHEFDVXMZ-MQYQWHSLSA-N 2 1 224.392 2.495 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000414163020 386046386 /nfs/dbraw/zinc/04/63/86/386046386.db2.gz MSPMAYHEFDVXMZ-MQYQWHSLSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cscn1 ZINC000334432465 386050876 /nfs/dbraw/zinc/05/08/76/386050876.db2.gz WVYUERJSKXESID-DTWKUNHWSA-N 2 1 248.355 2.074 20 0 BEADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H]1C[C@H]1C ZINC000414146336 385995652 /nfs/dbraw/zinc/99/56/52/385995652.db2.gz KYMBWVPWAXNXBQ-DYEKYZERSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000414881631 385996598 /nfs/dbraw/zinc/99/65/98/385996598.db2.gz LEMGKGIQCSBGBA-XHSDSOJGSA-N 2 1 244.382 2.448 20 0 BEADMP C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000414881628 385996808 /nfs/dbraw/zinc/99/68/08/385996808.db2.gz LEMGKGIQCSBGBA-PMPSAXMXSA-N 2 1 244.382 2.448 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000414982242 386062620 /nfs/dbraw/zinc/06/26/20/386062620.db2.gz SAJGYLQSQVZNEZ-SNVBAGLBSA-N 2 1 244.285 2.115 20 0 BEADMP C[C@H](CCC1CC1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336728557 386072309 /nfs/dbraw/zinc/07/23/09/386072309.db2.gz CPHMSNAMRKSQFS-GFCCVEGCSA-N 2 1 222.376 2.417 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)CC[C@H]1[NH3+] ZINC000414653883 386073465 /nfs/dbraw/zinc/07/34/65/386073465.db2.gz FIAUZWUGQSRHIK-SYAUCNOPSA-N 2 1 244.382 2.459 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CS[C@H](C)C2)[C@@H](C)C1 ZINC000414228076 386077134 /nfs/dbraw/zinc/07/71/34/386077134.db2.gz LKFNRXSAYISUGH-RNJOBUHISA-N 2 1 242.432 2.200 20 0 BEADMP C1CC1[C@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000414886540 386077573 /nfs/dbraw/zinc/07/75/73/386077573.db2.gz HLQWSKKLQKDFLP-IHRRRGAJSA-N 2 1 222.376 2.297 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CS[C@@H](C)C2)[C@H](C)C1 ZINC000414228078 386078115 /nfs/dbraw/zinc/07/81/15/386078115.db2.gz LKFNRXSAYISUGH-VOAKCMCISA-N 2 1 242.432 2.200 20 0 BEADMP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414886748 386078281 /nfs/dbraw/zinc/07/82/81/386078281.db2.gz QKVRXHYFZWJNQZ-JYJNAYRXSA-N 2 1 244.382 2.349 20 0 BEADMP CSCCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365402743 386078424 /nfs/dbraw/zinc/07/84/24/386078424.db2.gz KDKJBTJWBCCQHQ-LBPRGKRZSA-N 2 1 230.421 2.156 20 0 BEADMP [NH3+][C@@H](C[NH2+]Cc1ccc(F)c(Cl)c1)C1CC1 ZINC000414887223 386080143 /nfs/dbraw/zinc/08/01/43/386080143.db2.gz DCNPGRNMRYMVQA-LBPRGKRZSA-N 2 1 242.725 2.306 20 0 BEADMP [NH3+][C@H](C[NH2+]Cc1ccc(F)c(Cl)c1)C1CC1 ZINC000414887221 386080572 /nfs/dbraw/zinc/08/05/72/386080572.db2.gz DCNPGRNMRYMVQA-GFCCVEGCSA-N 2 1 242.725 2.306 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000414984117 386082239 /nfs/dbraw/zinc/08/22/39/386082239.db2.gz UXTMLCPJWVWOGK-DHCBQETCSA-N 2 1 222.307 2.166 20 0 BEADMP FC1(F)CC[C@@H](C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000310087567 386082536 /nfs/dbraw/zinc/08/25/36/386082536.db2.gz BLOPNIZDEWTGOT-VXGBXAGGSA-N 2 1 244.329 2.107 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000414887005 386082729 /nfs/dbraw/zinc/08/27/29/386082729.db2.gz WHWQDARSYVRFNF-ZFWWWQNUSA-N 2 1 247.386 2.340 20 0 BEADMP FC1(F)CC[C@H](C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000310087564 386083129 /nfs/dbraw/zinc/08/31/29/386083129.db2.gz BLOPNIZDEWTGOT-NWDGAFQWSA-N 2 1 244.329 2.107 20 0 BEADMP CCCc1cccc(C[NH2+]C[C@H]([NH3+])CC)c1 ZINC000414984851 386088183 /nfs/dbraw/zinc/08/81/83/386088183.db2.gz GXPMZENHGAWRMX-CQSZACIVSA-N 2 1 220.360 2.466 20 0 BEADMP c1cc([C@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cs1 ZINC000647876881 386145846 /nfs/dbraw/zinc/14/58/46/386145846.db2.gz BXBJEKIIYMAPCX-DGCLKSJQSA-N 2 1 236.384 2.495 20 0 BEADMP c1cc([C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cs1 ZINC000647876883 386146440 /nfs/dbraw/zinc/14/64/40/386146440.db2.gz BXBJEKIIYMAPCX-YPMHNXCESA-N 2 1 236.384 2.495 20 0 BEADMP C[C@H]1CCCC[C@H]1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000414892527 386148893 /nfs/dbraw/zinc/14/88/93/386148893.db2.gz QBNWHYTVCMRRRZ-AVGNSLFASA-N 2 1 210.365 2.154 20 0 BEADMP CC(C)[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000414677465 386158144 /nfs/dbraw/zinc/15/81/44/386158144.db2.gz OVADFTHQSJGXPT-VXGBXAGGSA-N 2 1 210.365 2.247 20 0 BEADMP [NH3+]CCC[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000414682669 386165698 /nfs/dbraw/zinc/16/56/98/386165698.db2.gz ADVHRYYXIVOZSD-CQSZACIVSA-N 2 1 236.334 2.181 20 0 BEADMP Cc1cc(Cl)ccc1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414894213 386171641 /nfs/dbraw/zinc/17/16/41/386171641.db2.gz SLARWIBACISNBI-ZDUSSCGKSA-N 2 1 238.762 2.475 20 0 BEADMP Cc1ccc([C@H]2CCC[N@H+]2CCC[NH3+])cc1 ZINC000414685576 386171772 /nfs/dbraw/zinc/17/17/72/386171772.db2.gz ZVHMIZDCJBTCOU-CQSZACIVSA-N 2 1 218.344 2.481 20 0 BEADMP COc1ccccc1[C@H]1CCC[N@H+]1CCC[NH3+] ZINC000414686746 386176868 /nfs/dbraw/zinc/17/68/68/386176868.db2.gz AZGNMRGKWMFEIV-CYBMUJFWSA-N 2 1 234.343 2.181 20 0 BEADMP C1CC1[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000414895061 386187274 /nfs/dbraw/zinc/18/72/74/386187274.db2.gz VOOKHAYETJCTOK-MJBXVCDLSA-N 2 1 222.376 2.297 20 0 BEADMP CO[C@@H](C)C[N@@H+](C[C@@H]([NH3+])CC(C)C)C(C)C ZINC000414691396 386187415 /nfs/dbraw/zinc/18/74/15/386187415.db2.gz BOJXCHARHXUBSJ-STQMWFEESA-N 2 1 230.396 2.105 20 0 BEADMP CO[C@H](C)C[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000414691361 386187829 /nfs/dbraw/zinc/18/78/29/386187829.db2.gz BJWMLFVSFYSUIV-MJBXVCDLSA-N 2 1 242.407 2.120 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000336718422 386188912 /nfs/dbraw/zinc/18/89/12/386188912.db2.gz YKBLUGZUZLXIHS-MROQNXINSA-N 2 1 212.381 2.351 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+]CC1(COC)CCC1 ZINC000310126801 386128897 /nfs/dbraw/zinc/12/88/97/386128897.db2.gz JKPXPIRJZJXMQJ-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP [NH3+]CCC[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000414670290 386136068 /nfs/dbraw/zinc/13/60/68/386136068.db2.gz CWBUKZCFOABMBB-CYBMUJFWSA-N 2 1 210.365 2.380 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@]1(C)CCCO1 ZINC000340259218 386140920 /nfs/dbraw/zinc/14/09/20/386140920.db2.gz PCJHIZFGSAMFOG-AAVRWANBSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@]1(C)CCCO1 ZINC000340259218 386140923 /nfs/dbraw/zinc/14/09/23/386140923.db2.gz PCJHIZFGSAMFOG-AAVRWANBSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@]1(C)CCCO1 ZINC000340259221 386141183 /nfs/dbraw/zinc/14/11/83/386141183.db2.gz PCJHIZFGSAMFOG-SYQHCUMBSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@]1(C)CCCO1 ZINC000340259221 386141190 /nfs/dbraw/zinc/14/11/90/386141190.db2.gz PCJHIZFGSAMFOG-SYQHCUMBSA-N 2 1 240.391 2.016 20 0 BEADMP COc1ccc([C@H](C)[N@@H+](C)C[C@H]2CC[NH2+]C2)cc1 ZINC000647874680 386142032 /nfs/dbraw/zinc/14/20/32/386142032.db2.gz MMPZRICYWGCPKN-STQMWFEESA-N 2 1 248.370 2.298 20 0 BEADMP CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CC[NH2+]C1 ZINC000647880940 386201762 /nfs/dbraw/zinc/20/17/62/386201762.db2.gz HOEADKOEFPDYMK-AWEZNQCLSA-N 2 1 248.370 2.127 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000414702305 386207473 /nfs/dbraw/zinc/20/74/73/386207473.db2.gz IGMWHLIQIHCCCU-QWHCGFSZSA-N 2 1 244.448 2.433 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000414702305 386207478 /nfs/dbraw/zinc/20/74/78/386207478.db2.gz IGMWHLIQIHCCCU-QWHCGFSZSA-N 2 1 244.448 2.433 20 0 BEADMP COC1CCC([N@H+](C)CC[NH2+]C(C)(C)C)CC1 ZINC000414702161 386208075 /nfs/dbraw/zinc/20/80/75/386208075.db2.gz UVKLQKRXVSGAEU-UHFFFAOYSA-N 2 1 242.407 2.264 20 0 BEADMP COC1CCC([N@@H+](C)CC[NH2+]C(C)(C)C)CC1 ZINC000414702161 386208077 /nfs/dbraw/zinc/20/80/77/386208077.db2.gz UVKLQKRXVSGAEU-UHFFFAOYSA-N 2 1 242.407 2.264 20 0 BEADMP CCc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000131546945 386209821 /nfs/dbraw/zinc/20/98/21/386209821.db2.gz HMBKIVGFRFODGX-WFASDCNBSA-N 2 1 232.371 2.418 20 0 BEADMP Oc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647882072 386217705 /nfs/dbraw/zinc/21/77/05/386217705.db2.gz HZYHKDVUJAMRDZ-WFASDCNBSA-N 2 1 246.354 2.139 20 0 BEADMP CCSCC[N@@H+](C)[C@@H]1CCN(C)C[C@@H]1C ZINC000336648795 386259960 /nfs/dbraw/zinc/25/99/60/386259960.db2.gz PPWGSARFHVPBII-NWDGAFQWSA-N 2 1 230.421 2.012 20 0 BEADMP CCSCC[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000336648795 386259964 /nfs/dbraw/zinc/25/99/64/386259964.db2.gz PPWGSARFHVPBII-NWDGAFQWSA-N 2 1 230.421 2.012 20 0 BEADMP CCSCC[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000336648795 386259966 /nfs/dbraw/zinc/25/99/66/386259966.db2.gz PPWGSARFHVPBII-NWDGAFQWSA-N 2 1 230.421 2.012 20 0 BEADMP CCSCC[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000336648795 386259971 /nfs/dbraw/zinc/25/99/71/386259971.db2.gz PPWGSARFHVPBII-NWDGAFQWSA-N 2 1 230.421 2.012 20 0 BEADMP CCSCC[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000336648795 386259976 /nfs/dbraw/zinc/25/99/76/386259976.db2.gz PPWGSARFHVPBII-NWDGAFQWSA-N 2 1 230.421 2.012 20 0 BEADMP c1cncc([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)c1 ZINC000132292555 386229765 /nfs/dbraw/zinc/22/97/65/386229765.db2.gz JQXKFWINMCNHOS-OAHLLOKOSA-N 2 1 245.370 2.218 20 0 BEADMP Fc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000132240285 386230437 /nfs/dbraw/zinc/23/04/37/386230437.db2.gz XGPUVMQANRUYSW-JTQLQIEISA-N 2 1 240.297 2.054 20 0 BEADMP COc1ccc([C@H](C)C[N@H+]2CCC[C@H]2CN)cc1 ZINC000347125418 386237374 /nfs/dbraw/zinc/23/73/74/386237374.db2.gz YFVPLCJEWFKGCU-OCCSQVGLSA-N 2 1 248.370 2.222 20 0 BEADMP COc1ccc([C@H](C)C[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000347125418 386237380 /nfs/dbraw/zinc/23/73/80/386237380.db2.gz YFVPLCJEWFKGCU-OCCSQVGLSA-N 2 1 248.370 2.222 20 0 BEADMP COc1ccc([C@H](C)C[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000347125418 386237386 /nfs/dbraw/zinc/23/73/86/386237386.db2.gz YFVPLCJEWFKGCU-OCCSQVGLSA-N 2 1 248.370 2.222 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+]C/C=C/c1ccc(F)cc1 ZINC000415002059 386239125 /nfs/dbraw/zinc/23/91/25/386239125.db2.gz DEWLOWZHRGLKPA-SEUFLZDSSA-N 2 1 222.307 2.164 20 0 BEADMP CC(C)c1ncc(C[N@@H+]2CC[C@H](C[NH3+])C2)s1 ZINC000347089546 386245311 /nfs/dbraw/zinc/24/53/11/386245311.db2.gz FBUYKGMVUBCYNY-SNVBAGLBSA-N 2 1 239.388 2.047 20 0 BEADMP CC(C)c1ncc(C[N@H+]2CC[C@H](C[NH3+])C2)s1 ZINC000347089546 386245315 /nfs/dbraw/zinc/24/53/15/386245315.db2.gz FBUYKGMVUBCYNY-SNVBAGLBSA-N 2 1 239.388 2.047 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC23CCC3)CC[N@@H+]1C ZINC000336742862 386250950 /nfs/dbraw/zinc/25/09/50/386250950.db2.gz ORCZDNJNZWHDPL-UPJWGTAASA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC23CCC3)CC[N@H+]1C ZINC000336742862 386250952 /nfs/dbraw/zinc/25/09/52/386250952.db2.gz ORCZDNJNZWHDPL-UPJWGTAASA-N 2 1 222.376 2.391 20 0 BEADMP [NH3+][C@@H](C[NH2+]C/C=C\c1ccc(F)cc1)C1CC1 ZINC000414896089 386196219 /nfs/dbraw/zinc/19/62/19/386196219.db2.gz OEAOYHWWBUOWIV-BOPNBLERSA-N 2 1 234.318 2.166 20 0 BEADMP CCCCO[C@@H]1C[C@H]([N@@H+](C)CCC[NH3+])C1(C)C ZINC000414696041 386196955 /nfs/dbraw/zinc/19/69/55/386196955.db2.gz AULASGGQKUCTAW-QWHCGFSZSA-N 2 1 242.407 2.251 20 0 BEADMP COCC1(C[NH2+][C@H](C)C[N@H+](C)C(C)C)CCC1 ZINC000310530036 386197613 /nfs/dbraw/zinc/19/76/13/386197613.db2.gz PSMQAQFBUPLMJD-CYBMUJFWSA-N 2 1 242.407 2.121 20 0 BEADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)c1cccc(O)c1 ZINC000647880365 386197518 /nfs/dbraw/zinc/19/75/18/386197518.db2.gz NSWXFNYNFLZJHY-CHWSQXEVSA-N 2 1 248.370 2.385 20 0 BEADMP COCC1(C[NH2+][C@H](C)C[N@@H+](C)C(C)C)CCC1 ZINC000310530036 386197615 /nfs/dbraw/zinc/19/76/15/386197615.db2.gz PSMQAQFBUPLMJD-CYBMUJFWSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@H]1c2ccccc2CC[N@H+]1C[C@H](C)[NH3+] ZINC000647885811 386285686 /nfs/dbraw/zinc/28/56/86/386285686.db2.gz SPMDJOGBIFSYLQ-FZMZJTMJSA-N 2 1 218.344 2.343 20 0 BEADMP CC[C@H]1c2ccccc2CC[N@@H+]1C[C@H](C)[NH3+] ZINC000647885811 386285692 /nfs/dbraw/zinc/28/56/92/386285692.db2.gz SPMDJOGBIFSYLQ-FZMZJTMJSA-N 2 1 218.344 2.343 20 0 BEADMP C[C@@H]1c2c(F)cccc2CC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647885854 386286273 /nfs/dbraw/zinc/28/62/73/386286273.db2.gz YGADSQJXTMUSEB-VXGBXAGGSA-N 2 1 248.345 2.354 20 0 BEADMP C[C@@H]1c2c(F)cccc2CC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647885854 386286275 /nfs/dbraw/zinc/28/62/75/386286275.db2.gz YGADSQJXTMUSEB-VXGBXAGGSA-N 2 1 248.345 2.354 20 0 BEADMP CCC[C@]1(C)CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647886127 386293568 /nfs/dbraw/zinc/29/35/68/386293568.db2.gz XKWLNKGAINCQJF-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP CC[NH+]1CCC([N@H+](C)CCc2cccnc2)CC1 ZINC000347295269 386297416 /nfs/dbraw/zinc/29/74/16/386297416.db2.gz AWWNBKXTLUFORO-UHFFFAOYSA-N 2 1 247.386 2.040 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)CCc2cccnc2)CC1 ZINC000347295269 386297423 /nfs/dbraw/zinc/29/74/23/386297423.db2.gz AWWNBKXTLUFORO-UHFFFAOYSA-N 2 1 247.386 2.040 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414737037 386304470 /nfs/dbraw/zinc/30/44/70/386304470.db2.gz IFTNPZXSIFWRBR-SYQHCUMBSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H](CNc1[nH+]c2ccccc2n1C)C[NH+](C)C ZINC000291969124 386305631 /nfs/dbraw/zinc/30/56/31/386305631.db2.gz VXGCMRNVSBEKDF-LLVKDONJSA-N 2 1 246.358 2.183 20 0 BEADMP CC[C@H]1CC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000336669956 386312802 /nfs/dbraw/zinc/31/28/02/386312802.db2.gz IEVUBVDMHAILJG-ZDUSSCGKSA-N 2 1 221.348 2.314 20 0 BEADMP CC[C@H]1CC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000336669956 386312806 /nfs/dbraw/zinc/31/28/06/386312806.db2.gz IEVUBVDMHAILJG-ZDUSSCGKSA-N 2 1 221.348 2.314 20 0 BEADMP C[C@@H]1c2ccccc2CC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647884444 386263826 /nfs/dbraw/zinc/26/38/26/386263826.db2.gz QKNNKCOMESBINQ-OLZOCXBDSA-N 2 1 230.355 2.215 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc(N)c1 ZINC000340581663 386279614 /nfs/dbraw/zinc/27/96/14/386279614.db2.gz DHCYAONWHHGFOE-AWEZNQCLSA-N 2 1 235.375 2.074 20 0 BEADMP CC[C@@H](C)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335277587 386344248 /nfs/dbraw/zinc/34/42/48/386344248.db2.gz JSLPTMVEBFTWFR-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1nc2ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc2s1 ZINC000415006864 386347510 /nfs/dbraw/zinc/34/75/10/386347510.db2.gz CAPIABQYPFOQIP-RKDXNWHRSA-N 2 1 249.383 2.430 20 0 BEADMP Cn1cccc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000265664449 386357301 /nfs/dbraw/zinc/35/73/01/386357301.db2.gz TVUBAOZDNLBYIC-UHFFFAOYSA-N 2 1 247.386 2.132 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000063191809 386364426 /nfs/dbraw/zinc/36/44/26/386364426.db2.gz AFERYDOMUDHULF-GXTWGEPZSA-N 2 1 218.344 2.388 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000063191809 386364430 /nfs/dbraw/zinc/36/44/30/386364430.db2.gz AFERYDOMUDHULF-GXTWGEPZSA-N 2 1 218.344 2.388 20 0 BEADMP CSCCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000336693258 386365038 /nfs/dbraw/zinc/36/50/38/386365038.db2.gz CCBCIDJEXPBITD-UHFFFAOYSA-N 2 1 230.421 2.157 20 0 BEADMP COC(C)(C)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336692784 386366199 /nfs/dbraw/zinc/36/61/99/386366199.db2.gz IYXBJOZDZTXRAA-QWHCGFSZSA-N 2 1 242.407 2.216 20 0 BEADMP COC(C)(C)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336692784 386366202 /nfs/dbraw/zinc/36/62/02/386366202.db2.gz IYXBJOZDZTXRAA-QWHCGFSZSA-N 2 1 242.407 2.216 20 0 BEADMP COC(C)(C)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336692784 386366204 /nfs/dbraw/zinc/36/62/04/386366204.db2.gz IYXBJOZDZTXRAA-QWHCGFSZSA-N 2 1 242.407 2.216 20 0 BEADMP COC(C)(C)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336692784 386366206 /nfs/dbraw/zinc/36/62/06/386366206.db2.gz IYXBJOZDZTXRAA-QWHCGFSZSA-N 2 1 242.407 2.216 20 0 BEADMP CC1(C)C[N@@H+](CCC[NH3+])CC[C@@H]1C(F)(F)F ZINC000414751763 386377625 /nfs/dbraw/zinc/37/76/25/386377625.db2.gz AZAUAHCTPOJFGF-VIFPVBQESA-N 2 1 238.297 2.246 20 0 BEADMP C[C@@H]1C[C@H]([NH+](C)CCC2CC2)CC[N@@H+]1C ZINC000336699512 386383305 /nfs/dbraw/zinc/38/33/05/386383305.db2.gz XQDQGVRDLOREHC-DGCLKSJQSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@H]([NH+](C)CCC2CC2)CC[N@H+]1C ZINC000336699512 386383311 /nfs/dbraw/zinc/38/33/11/386383311.db2.gz XQDQGVRDLOREHC-DGCLKSJQSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@H]([N@H+](C)CCC2CC2)CC[NH+]1C ZINC000336699512 386383317 /nfs/dbraw/zinc/38/33/17/386383317.db2.gz XQDQGVRDLOREHC-DGCLKSJQSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+](C)CCC2CC2)CC[NH+]1C ZINC000336699512 386383322 /nfs/dbraw/zinc/38/33/22/386383322.db2.gz XQDQGVRDLOREHC-DGCLKSJQSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCC[NH3+] ZINC000414740230 386331374 /nfs/dbraw/zinc/33/13/74/386331374.db2.gz JRCHLIUSXOGVSI-UKRRQHHQSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](C)C(F)(F)C2)CC[NH2+]1 ZINC000414740180 386331405 /nfs/dbraw/zinc/33/14/05/386331405.db2.gz JOCSLEFLFIXIQT-IJLUTSLNSA-N 2 1 246.345 2.352 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C)C(F)(F)C2)CC[NH2+]1 ZINC000414740180 386331408 /nfs/dbraw/zinc/33/14/08/386331408.db2.gz JOCSLEFLFIXIQT-IJLUTSLNSA-N 2 1 246.345 2.352 20 0 BEADMP [NH3+]CCC[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000414754381 386397052 /nfs/dbraw/zinc/39/70/52/386397052.db2.gz XRASLSUZCZCWLU-OAHLLOKOSA-N 2 1 232.371 2.290 20 0 BEADMP [NH3+]CCC[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000414754380 386397237 /nfs/dbraw/zinc/39/72/37/386397237.db2.gz XRASLSUZCZCWLU-HNNXBMFYSA-N 2 1 232.371 2.290 20 0 BEADMP CC1CCC([NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000414908866 386404333 /nfs/dbraw/zinc/40/43/33/386404333.db2.gz BKXJXRBHMZLXST-KPFVRQRISA-N 2 1 210.365 2.153 20 0 BEADMP CCCC[N@H+](CCn1cc[nH+]c1C)C1CC1 ZINC000336706566 386412310 /nfs/dbraw/zinc/41/23/10/386412310.db2.gz RZOMEBFCGXHPCZ-UHFFFAOYSA-N 2 1 221.348 2.456 20 0 BEADMP CCCC[N@@H+](CCn1cc[nH+]c1C)C1CC1 ZINC000336706566 386412312 /nfs/dbraw/zinc/41/23/12/386412312.db2.gz RZOMEBFCGXHPCZ-UHFFFAOYSA-N 2 1 221.348 2.456 20 0 BEADMP C[C@@H]1C[C@H]1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000339406330 386418544 /nfs/dbraw/zinc/41/85/44/386418544.db2.gz GEGUPNWLMMYFKQ-HIFRSBDPSA-N 2 1 232.371 2.493 20 0 BEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCc2cccnc2)CC1 ZINC000277262350 386421852 /nfs/dbraw/zinc/42/18/52/386421852.db2.gz RAPJYKZASVZDRS-OAHLLOKOSA-N 2 1 247.386 2.040 20 0 BEADMP CC[C@H]1C[C@@H](C)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000399164030 386427062 /nfs/dbraw/zinc/42/70/62/386427062.db2.gz LUZQSENITHRGKH-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1C[C@@H](C)C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000399163024 386428871 /nfs/dbraw/zinc/42/88/71/386428871.db2.gz LOLHRVQTVQATEM-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP CO[C@@H](C)C[N@@H+](CC[C@@H]1CCC[NH+]1C)C(C)C ZINC000336714276 386434362 /nfs/dbraw/zinc/43/43/62/386434362.db2.gz QPHPUVCEJWYRBA-KBPBESRZSA-N 2 1 242.407 2.216 20 0 BEADMP CO[C@@H](C)C[NH+](CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000336714276 386434367 /nfs/dbraw/zinc/43/43/67/386434367.db2.gz QPHPUVCEJWYRBA-KBPBESRZSA-N 2 1 242.407 2.216 20 0 BEADMP CO[C@@H](C)C[NH+](CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000336714276 386434371 /nfs/dbraw/zinc/43/43/71/386434371.db2.gz QPHPUVCEJWYRBA-KBPBESRZSA-N 2 1 242.407 2.216 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1C ZINC000414910361 386435787 /nfs/dbraw/zinc/43/57/87/386435787.db2.gz CMDICYZXJDHMCR-SYQHCUMBSA-N 2 1 224.392 2.400 20 0 BEADMP CC[C@H]1C[N@@H+](CCCc2ccncc2)CC[C@@H]1[NH3+] ZINC000647934483 386478187 /nfs/dbraw/zinc/47/81/87/386478187.db2.gz GXQUJUQYYXROGD-GJZGRUSLSA-N 2 1 247.386 2.073 20 0 BEADMP Cc1cccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])c1C ZINC000415015505 386499716 /nfs/dbraw/zinc/49/97/16/386499716.db2.gz YUZVSSOVEFGKLO-RYUDHWBXSA-N 2 1 206.333 2.129 20 0 BEADMP Cc1cccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])c1C ZINC000415015507 386500767 /nfs/dbraw/zinc/50/07/67/386500767.db2.gz YUZVSSOVEFGKLO-VXGBXAGGSA-N 2 1 206.333 2.129 20 0 BEADMP Cc1ccncc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000135468142 386514953 /nfs/dbraw/zinc/51/49/53/386514953.db2.gz GFJFARDDSRPUKF-LSDHHAIUSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1ccncc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000135468142 386514958 /nfs/dbraw/zinc/51/49/58/386514958.db2.gz GFJFARDDSRPUKF-LSDHHAIUSA-N 2 1 245.370 2.106 20 0 BEADMP CC(C)CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415041297 386526316 /nfs/dbraw/zinc/52/63/16/386526316.db2.gz LJESLLVSXGLUME-ZIAGYGMSSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@H](C)C[NH3+] ZINC000414920881 386576081 /nfs/dbraw/zinc/57/60/81/386576081.db2.gz AIOCRYMVIUVZNO-OCCSQVGLSA-N 2 1 220.360 2.253 20 0 BEADMP C[C@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CC2)C[C@@H](C)C1 ZINC000414795699 386576445 /nfs/dbraw/zinc/57/64/45/386576445.db2.gz GYOGMPIRXKGVIO-RSLMWUCJSA-N 2 1 210.365 2.138 20 0 BEADMP [NH3+][C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC000394583552 386576857 /nfs/dbraw/zinc/57/68/57/386576857.db2.gz UFXQDACGCHHWDK-ZDUSSCGKSA-N 2 1 210.365 2.380 20 0 BEADMP [NH3+][C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC000394583552 386576867 /nfs/dbraw/zinc/57/68/67/386576867.db2.gz UFXQDACGCHHWDK-ZDUSSCGKSA-N 2 1 210.365 2.380 20 0 BEADMP C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414797126 386578781 /nfs/dbraw/zinc/57/87/81/386578781.db2.gz AZNSGLNAJWDPNE-SCZZXKLOSA-N 2 1 238.297 2.434 20 0 BEADMP CC[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977778 386579030 /nfs/dbraw/zinc/57/90/30/386579030.db2.gz HNSXPYOXGFAIQT-IHRRRGAJSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)(C[NH2+][C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000415079959 386584655 /nfs/dbraw/zinc/58/46/55/386584655.db2.gz IXTBTBONXLRVMP-AWEZNQCLSA-N 2 1 232.371 2.207 20 0 BEADMP C[C@H](C[NH3+])[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000414921452 386585877 /nfs/dbraw/zinc/58/58/77/386585877.db2.gz BKZZARXNULKGQO-NXEZZACHSA-N 2 1 226.751 2.380 20 0 BEADMP CC1CCC(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000414922004 386590627 /nfs/dbraw/zinc/59/06/27/386590627.db2.gz FPNGQQVVKUQSMG-FKZOYECMSA-N 2 1 224.392 2.400 20 0 BEADMP C[C@@H](CCC(F)(F)F)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414800004 386593354 /nfs/dbraw/zinc/59/33/54/386593354.db2.gz FKMOHXKESBMQOC-IONNQARKSA-N 2 1 224.270 2.044 20 0 BEADMP Cc1ccc(C)c(C[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000414788628 386532507 /nfs/dbraw/zinc/53/25/07/386532507.db2.gz DRDLJMSEGBIMJU-CQSZACIVSA-N 2 1 220.360 2.376 20 0 BEADMP CC(C)(C)[C@@H](CN)[NH2+]Cc1ccc(F)cc1 ZINC000415055818 386538851 /nfs/dbraw/zinc/53/88/51/386538851.db2.gz OXMLNTROWRVISA-GFCCVEGCSA-N 2 1 224.323 2.289 20 0 BEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(F)cc1 ZINC000415055818 386538857 /nfs/dbraw/zinc/53/88/57/386538857.db2.gz OXMLNTROWRVISA-GFCCVEGCSA-N 2 1 224.323 2.289 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC23CC3)C1 ZINC000519710469 386539368 /nfs/dbraw/zinc/53/93/68/386539368.db2.gz NSOLOWADUSNXDY-OLZOCXBDSA-N 2 1 222.376 2.251 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC23CC3)C1 ZINC000519710464 386540308 /nfs/dbraw/zinc/54/03/08/386540308.db2.gz NSOLOWADUSNXDY-CHWSQXEVSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@H](CC1CC1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415063936 386543360 /nfs/dbraw/zinc/54/33/60/386543360.db2.gz JGPKWROQYBCDEK-MFKMUULPSA-N 2 1 210.365 2.282 20 0 BEADMP COC1CCC([NH2+][C@H](C[NH3+])C2CCCC2)CC1 ZINC000415064165 386544626 /nfs/dbraw/zinc/54/46/26/386544626.db2.gz KCIXYOYXFQKXHV-JXQTWKCFSA-N 2 1 240.391 2.051 20 0 BEADMP Cc1cc(C)cc(C[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000414790794 386545673 /nfs/dbraw/zinc/54/56/73/386545673.db2.gz AJENOAAUGQIVLH-CQSZACIVSA-N 2 1 218.344 2.130 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000647995266 386546698 /nfs/dbraw/zinc/54/66/98/386546698.db2.gz KBDZTNJYZDNYPV-RWMBFGLXSA-N 2 1 224.392 2.482 20 0 BEADMP FC(F)(F)C[C@@H]1CC[N@@H+](CCn2ccnc2)C1 ZINC000278567191 386549426 /nfs/dbraw/zinc/54/94/26/386549426.db2.gz BVUAMGRRFQZUCW-JTQLQIEISA-N 2 1 247.264 2.157 20 0 BEADMP COC[C@@H](CC(C)C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415070132 386551440 /nfs/dbraw/zinc/55/14/40/386551440.db2.gz UNKBEIFDCBMIJO-ZIAGYGMSSA-N 2 1 242.407 2.155 20 0 BEADMP CC(C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647974879 386555208 /nfs/dbraw/zinc/55/52/08/386555208.db2.gz AEWLAVCMRPSYAD-STQMWFEESA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(Cl)cs1 ZINC000414793009 386561200 /nfs/dbraw/zinc/56/12/00/386561200.db2.gz JOQUNHOLCSDQBD-JTQLQIEISA-N 2 1 232.780 2.474 20 0 BEADMP CC(C)([NH3+])C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414795954 386564315 /nfs/dbraw/zinc/56/43/15/386564315.db2.gz BEKVRMMGIIAHEI-UHFFFAOYSA-N 2 1 218.344 2.391 20 0 BEADMP CC(C)([NH3+])C[NH2+]C/C=C/c1ccc(F)cc1F ZINC000414802586 386597899 /nfs/dbraw/zinc/59/78/99/386597899.db2.gz KSWJJRSESWNHOT-ONEGZZNKSA-N 2 1 240.297 2.305 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000414795162 386571831 /nfs/dbraw/zinc/57/18/31/386571831.db2.gz MTFPKWWSNLQCST-RDFMZFSFSA-N 2 1 236.334 2.412 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1CCCCC1 ZINC000414924251 386619519 /nfs/dbraw/zinc/61/95/19/386619519.db2.gz IMZXRMRYKBOPAY-DGCLKSJQSA-N 2 1 210.365 2.154 20 0 BEADMP CC(C)([NH3+])C[NH2+]Cc1cc(Cl)cs1 ZINC000414810028 386621243 /nfs/dbraw/zinc/62/12/43/386621243.db2.gz WLKWLZXQPMFVQR-UHFFFAOYSA-N 2 1 218.753 2.228 20 0 BEADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CC1CCOCC1 ZINC000414818448 386656555 /nfs/dbraw/zinc/65/65/55/386656555.db2.gz VVFOVSSMFMWVHO-JSGCOSHPSA-N 2 1 242.407 2.299 20 0 BEADMP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000415141354 386639998 /nfs/dbraw/zinc/63/99/98/386639998.db2.gz NATYVSRBNCZNOV-JHJVBQTASA-N 2 1 212.381 2.399 20 0 BEADMP CCC([NH3+])(CC)C[NH2+]Cc1cccc2c[nH]nc21 ZINC000414813214 386643736 /nfs/dbraw/zinc/64/37/36/386643736.db2.gz SQGLKBZNJMKNRG-UHFFFAOYSA-N 2 1 246.358 2.170 20 0 BEADMP CC[N@H+](C)C[C@@H]1CCN(c2cc(C)cc[nH+]2)C1 ZINC000268368374 386644633 /nfs/dbraw/zinc/64/46/33/386644633.db2.gz YFDUHOPOSAXRBI-ZDUSSCGKSA-N 2 1 233.359 2.168 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CCN(c2cc(C)cc[nH+]2)C1 ZINC000268368374 386644638 /nfs/dbraw/zinc/64/46/38/386644638.db2.gz YFDUHOPOSAXRBI-ZDUSSCGKSA-N 2 1 233.359 2.168 20 0 BEADMP Cc1cc[nH+]c(N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000268369834 386645120 /nfs/dbraw/zinc/64/51/20/386645120.db2.gz YMOJWJIKZIAGDA-CYBMUJFWSA-N 2 1 233.359 2.168 20 0 BEADMP Cc1cc[nH+]c(N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000268369834 386645124 /nfs/dbraw/zinc/64/51/24/386645124.db2.gz YMOJWJIKZIAGDA-CYBMUJFWSA-N 2 1 233.359 2.168 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CC1CCOCC1 ZINC000414818450 386656262 /nfs/dbraw/zinc/65/62/62/386656262.db2.gz VVFOVSSMFMWVHO-TZMCWYRMSA-N 2 1 242.407 2.299 20 0 BEADMP Cc1cc[nH+]c(N(C)CC2CC[NH+](C)CC2)c1 ZINC000268374141 386649215 /nfs/dbraw/zinc/64/92/15/386649215.db2.gz ZMOYEVBBQVNJCW-UHFFFAOYSA-N 2 1 233.359 2.168 20 0 BEADMP Cc1cccc(C)c1CC[NH2+][C@@H]1CCC[NH2+]C1 ZINC000415085346 386602212 /nfs/dbraw/zinc/60/22/12/386602212.db2.gz PYVBUJXPUFJTIF-CQSZACIVSA-N 2 1 232.371 2.188 20 0 BEADMP FCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978565 386606100 /nfs/dbraw/zinc/60/61/00/386606100.db2.gz UWORQOSCYUECBA-OLZOCXBDSA-N 2 1 228.355 2.058 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000336781670 386606832 /nfs/dbraw/zinc/60/68/32/386606832.db2.gz VGFLZNYJNAHTQQ-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP [NH3+]C[C@@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC000414804327 386609566 /nfs/dbraw/zinc/60/95/66/386609566.db2.gz OPZMLFRKFYAWFP-CYBMUJFWSA-N 2 1 210.365 2.284 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+]C[C@H]1CCO[C@H](CC)C1 ZINC000414808184 386611248 /nfs/dbraw/zinc/61/12/48/386611248.db2.gz DPSSRSQLZPVJIO-BFHYXJOUSA-N 2 1 242.407 2.299 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000335496110 386618839 /nfs/dbraw/zinc/61/88/39/386618839.db2.gz LKWIVSCCVISRJL-PRHODGIISA-N 2 1 224.735 2.264 20 0 BEADMP C[NH2+]CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000414819536 386660491 /nfs/dbraw/zinc/66/04/91/386660491.db2.gz AKHWMBYRAFGHKT-GJZGRUSLSA-N 2 1 232.371 2.207 20 0 BEADMP CC[NH2+]CC[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000414822774 386672949 /nfs/dbraw/zinc/67/29/49/386672949.db2.gz HBGKKRVEIOPEGT-AWEZNQCLSA-N 2 1 234.387 2.454 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000414821343 386673829 /nfs/dbraw/zinc/67/38/29/386673829.db2.gz DTCIEKSUOSXIQH-LBPRGKRZSA-N 2 1 238.350 2.346 20 0 BEADMP CC[NH2+]CC[NH2+]C[C@H](C)CCc1ccccc1 ZINC000414822776 386674292 /nfs/dbraw/zinc/67/42/92/386674292.db2.gz HBGKKRVEIOPEGT-CQSZACIVSA-N 2 1 234.387 2.454 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H](C)CCc1ccccc1F ZINC000414820785 386675223 /nfs/dbraw/zinc/67/52/23/386675223.db2.gz BDCPVECQTXOZCD-LBPRGKRZSA-N 2 1 238.350 2.346 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCCc2ccccc21 ZINC000335469349 386686928 /nfs/dbraw/zinc/68/69/28/386686928.db2.gz ZRDOZHFTOYMLCE-RISCZKNCSA-N 2 1 218.344 2.391 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414828921 386700033 /nfs/dbraw/zinc/70/00/33/386700033.db2.gz LNAKLPJCFHVWFO-HUUCEWRRSA-N 2 1 232.371 2.306 20 0 BEADMP Cc1ccncc1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414831568 386706976 /nfs/dbraw/zinc/70/69/76/386706976.db2.gz CNTVWSAUFFBIPW-HNNXBMFYSA-N 2 1 247.386 2.387 20 0 BEADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C[C@@H](C)C1 ZINC000414929367 386733273 /nfs/dbraw/zinc/73/32/73/386733273.db2.gz NUFNGLGMBXHAMO-MEBFFEOJSA-N 2 1 224.392 2.399 20 0 BEADMP [NH3+]C[C@@H]([NH2+]Cc1ccncc1)C1CCCCC1 ZINC000414840456 386738897 /nfs/dbraw/zinc/73/88/97/386738897.db2.gz MIIBPPRQBRSBAG-CQSZACIVSA-N 2 1 233.359 2.079 20 0 BEADMP CC[NH2+]CC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000414831890 386715926 /nfs/dbraw/zinc/71/59/26/386715926.db2.gz PWSXVCKEZDCGHV-OLZOCXBDSA-N 2 1 210.365 2.154 20 0 BEADMP CCC[C@H](C)C[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414840870 386750716 /nfs/dbraw/zinc/75/07/16/386750716.db2.gz MRTKGNRUYVZXBM-NWDGAFQWSA-N 2 1 200.370 2.386 20 0 BEADMP C[N@@H+](CCn1ccnc1)Cc1cccs1 ZINC000269096411 386752151 /nfs/dbraw/zinc/75/21/51/386752151.db2.gz NBVAEIZAWJESMQ-UHFFFAOYSA-N 2 1 221.329 2.077 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CCC(F)(F)F)CC[N@H+]1C ZINC000156617164 386763918 /nfs/dbraw/zinc/76/39/18/386763918.db2.gz WIHKDPFESIUBLM-DTWKUNHWSA-N 2 1 224.270 2.011 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1F ZINC000335641159 386765211 /nfs/dbraw/zinc/76/52/11/386765211.db2.gz RPNRNJIEOCCMNO-YPMHNXCESA-N 2 1 236.334 2.364 20 0 BEADMP Cc1ccc(F)c(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000335641180 386765704 /nfs/dbraw/zinc/76/57/04/386765704.db2.gz SHIFKAUZEXAGGL-DGCLKSJQSA-N 2 1 236.334 2.364 20 0 BEADMP CC(C)c1nccc(NC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000301286595 386830426 /nfs/dbraw/zinc/83/04/26/386830426.db2.gz VKLGEBZTTQPWOW-GFCCVEGCSA-N 2 1 248.374 2.354 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000414936200 386836794 /nfs/dbraw/zinc/83/67/94/386836794.db2.gz BSKIVZFFNOAIPO-NWANDNLSSA-N 2 1 232.371 2.335 20 0 BEADMP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[C@H]1C)[NH+]1CCCC1 ZINC000336674443 386850086 /nfs/dbraw/zinc/85/00/86/386850086.db2.gz BGVXWAATOQXBDF-AAVRWANBSA-N 2 1 224.392 2.495 20 0 BEADMP Cc1nc2ccc(C[NH2+][C@@H](C)C[NH3+])cc2s1 ZINC000414938303 386851206 /nfs/dbraw/zinc/85/12/06/386851206.db2.gz FBTQDKYRLGIRSW-QMMMGPOBSA-N 2 1 235.356 2.042 20 0 BEADMP CC1(C)CCC[C@H]1[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000334846679 386893806 /nfs/dbraw/zinc/89/38/06/386893806.db2.gz KJMGVFZSTAGMBP-WDEREUQCSA-N 2 1 246.345 2.400 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000334790793 386856031 /nfs/dbraw/zinc/85/60/31/386856031.db2.gz VZJINCPJKMOCTG-KGLIPLIRSA-N 2 1 233.359 2.456 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000334790793 386856033 /nfs/dbraw/zinc/85/60/33/386856033.db2.gz VZJINCPJKMOCTG-KGLIPLIRSA-N 2 1 233.359 2.456 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H](C)CCCC(F)(F)F ZINC000414938048 386857162 /nfs/dbraw/zinc/85/71/62/386857162.db2.gz YBOMVOGMCMAVRR-JGVFFNPUSA-N 2 1 212.259 2.044 20 0 BEADMP F[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000334842244 386889363 /nfs/dbraw/zinc/88/93/63/386889363.db2.gz IVADRIVKWAFBBZ-ZIAGYGMSSA-N 2 1 240.366 2.484 20 0 BEADMP c1cc2c(cc1[NH2+]CC1CC[NH2+]CC1)CCCN2 ZINC000334863234 386917430 /nfs/dbraw/zinc/91/74/30/386917430.db2.gz LVTKCFQFSPKXOX-UHFFFAOYSA-N 2 1 245.370 2.456 20 0 BEADMP C[C@H](CCc1ccsc1)[NH2+][C@@H](C)C[NH3+] ZINC000414942336 386900892 /nfs/dbraw/zinc/90/08/92/386900892.db2.gz KBIVBRMIUNCZSH-ZJUUUORDSA-N 2 1 212.362 2.006 20 0 BEADMP Cc1ccc(F)c(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000334858849 386911247 /nfs/dbraw/zinc/91/12/47/386911247.db2.gz WIQFXIXCICZYMA-FZMZJTMJSA-N 2 1 236.334 2.222 20 0 BEADMP c1cncc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000334867977 386925392 /nfs/dbraw/zinc/92/53/92/386925392.db2.gz HEOBKYZNFJNTQQ-HUUCEWRRSA-N 2 1 245.370 2.046 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCCC23CCC3)CC[NH2+]1 ZINC000334816831 386942468 /nfs/dbraw/zinc/94/24/68/386942468.db2.gz BXKZKMZPOMJAIM-CHWSQXEVSA-N 2 1 222.376 2.393 20 0 BEADMP CSC1(C[NH2+]CC2([NH+](C)C)CCCC2)CC1 ZINC000304257377 386969173 /nfs/dbraw/zinc/96/91/73/386969173.db2.gz ILIUKFVRJJBSLJ-UHFFFAOYSA-N 2 1 242.432 2.346 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCCCF)C1 ZINC000341876314 386981050 /nfs/dbraw/zinc/98/10/50/386981050.db2.gz NEJBQHYJPWCKHJ-GFCCVEGCSA-N 2 1 216.344 2.010 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCCCF)C1 ZINC000341885624 386984871 /nfs/dbraw/zinc/98/48/71/386984871.db2.gz FRAWBDLIOAAYIG-CYBMUJFWSA-N 2 1 230.371 2.400 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCCCF)C1 ZINC000341885624 386984877 /nfs/dbraw/zinc/98/48/77/386984877.db2.gz FRAWBDLIOAAYIG-CYBMUJFWSA-N 2 1 230.371 2.400 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCCCF)C1 ZINC000341885624 386984879 /nfs/dbraw/zinc/98/48/79/386984879.db2.gz FRAWBDLIOAAYIG-CYBMUJFWSA-N 2 1 230.371 2.400 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000107934680 387039486 /nfs/dbraw/zinc/03/94/86/387039486.db2.gz ZPZHCIHRZUVCFQ-TZMCWYRMSA-N 2 1 218.344 2.164 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000126873297 387054842 /nfs/dbraw/zinc/05/48/42/387054842.db2.gz JRARVLLLAJZYFS-TZMCWYRMSA-N 2 1 248.370 2.173 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000165980403 387070495 /nfs/dbraw/zinc/07/04/95/387070495.db2.gz XEVXFIWERNPMFQ-DZGCQCFKSA-N 2 1 232.371 2.288 20 0 BEADMP [NH3+][C@@H]1CCCN(c2cc[nH+]c3ccsc32)C1 ZINC000334994764 387085530 /nfs/dbraw/zinc/08/55/30/387085530.db2.gz HOYLSDKNZAFDMU-SECBINFHSA-N 2 1 233.340 2.224 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000127228490 387100966 /nfs/dbraw/zinc/10/09/66/387100966.db2.gz HPRVDICNGHPYNR-FFAUQURTSA-N 2 1 230.355 2.369 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])s1 ZINC000335007929 387103577 /nfs/dbraw/zinc/10/35/77/387103577.db2.gz BPXFOURJFLNLPS-QWRGUYRKSA-N 2 1 210.346 2.026 20 0 BEADMP Cc1cc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])ccn1 ZINC000335009720 387105361 /nfs/dbraw/zinc/10/53/61/387105361.db2.gz HKLRRMUZZMPIHI-UONOGXRCSA-N 2 1 233.359 2.140 20 0 BEADMP C[C@H]([NH2+]C1CCCCC1)c1c[nH+]ccc1N ZINC000335023934 387114441 /nfs/dbraw/zinc/11/44/41/387114441.db2.gz LVSCWWBGGVTGPH-JTQLQIEISA-N 2 1 219.332 2.477 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000335024124 387114815 /nfs/dbraw/zinc/11/48/15/387114815.db2.gz WEOSWJKCXDAJAO-CMPLNLGQSA-N 2 1 246.345 2.400 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1F ZINC000335025965 387119353 /nfs/dbraw/zinc/11/93/53/387119353.db2.gz WZEBEAYWHHUEGI-CHWSQXEVSA-N 2 1 222.307 2.104 20 0 BEADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000250639619 387121058 /nfs/dbraw/zinc/12/10/58/387121058.db2.gz WGAVVGBFHSRTLX-OCCSQVGLSA-N 2 1 248.370 2.254 20 0 BEADMP CCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000250507084 387124479 /nfs/dbraw/zinc/12/44/79/387124479.db2.gz FQZNAAUGYWLEPT-TZMCWYRMSA-N 2 1 248.370 2.254 20 0 BEADMP C[C@H]1CCC[C@H](C)C1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423299487 387129218 /nfs/dbraw/zinc/12/92/18/387129218.db2.gz BVSARIMGGQNNGK-SRVKXCTJSA-N 2 1 210.365 2.153 20 0 BEADMP c1ccc2[nH+]c(NCC[C@H]3CCC[NH2+]C3)[nH]c2c1 ZINC000110793436 387068474 /nfs/dbraw/zinc/06/84/74/387068474.db2.gz OADWVPUMJQVGHY-LLVKDONJSA-N 2 1 244.342 2.365 20 0 BEADMP C[C@@H](F)CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000352393912 387146260 /nfs/dbraw/zinc/14/62/60/387146260.db2.gz DXMQZHOUTHWDRE-GFCCVEGCSA-N 2 1 216.344 2.152 20 0 BEADMP CCC[NH2+]CC[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000423309323 387146945 /nfs/dbraw/zinc/14/69/45/387146945.db2.gz KZNMKTANVDBCGU-STQMWFEESA-N 2 1 242.407 2.168 20 0 BEADMP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423311247 387148999 /nfs/dbraw/zinc/14/89/99/387148999.db2.gz BJRMSADHVBMIRR-YGRLFVJLSA-N 2 1 234.343 2.083 20 0 BEADMP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423313444 387152455 /nfs/dbraw/zinc/15/24/55/387152455.db2.gz FUCPGLOQAUNTEX-GJZGRUSLSA-N 2 1 230.355 2.309 20 0 BEADMP Cc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cs1 ZINC000423312864 387152582 /nfs/dbraw/zinc/15/25/82/387152582.db2.gz DXBHLMULUFFKOW-JOYOIKCWSA-N 2 1 224.373 2.444 20 0 BEADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1nccc2ccccc21 ZINC000423314216 387154711 /nfs/dbraw/zinc/15/47/11/387154711.db2.gz GVKXJULSNVGPBE-LLVKDONJSA-N 2 1 241.338 2.105 20 0 BEADMP Cc1cccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000423315921 387156798 /nfs/dbraw/zinc/15/67/98/387156798.db2.gz JHHQDNLHMPKVJY-RISCZKNCSA-N 2 1 218.344 2.383 20 0 BEADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)C[NH3+])[C@@H](C)C2 ZINC000423315641 387156953 /nfs/dbraw/zinc/15/69/53/387156953.db2.gz ACYZFOPSEBLXPQ-WDMOLILDSA-N 2 1 218.344 2.165 20 0 BEADMP Cc1cc([C@H](C)[NH2+][C@H](C)C[NH3+])cc(C)c1F ZINC000423316903 387157178 /nfs/dbraw/zinc/15/71/78/387157178.db2.gz BPFMSWGBTWMINK-MNOVXSKESA-N 2 1 224.323 2.440 20 0 BEADMP COc1cccc2c1CC[C@@H]2[NH2+]CC1([NH3+])CCC1 ZINC000423315982 387157565 /nfs/dbraw/zinc/15/75/65/387157565.db2.gz BJAIHQCQASDSHK-ZDUSSCGKSA-N 2 1 246.354 2.154 20 0 BEADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@H](C)C[NH3+] ZINC000423320935 387162648 /nfs/dbraw/zinc/16/26/48/387162648.db2.gz HAYKVJULAOCKMS-QMTHXVAHSA-N 2 1 248.370 2.354 20 0 BEADMP COc1ccc2c(c1)[C@H]([NH2+][C@H](C)C[NH3+])CCC2 ZINC000423322005 387165505 /nfs/dbraw/zinc/16/55/05/387165505.db2.gz IIOGVCSUSAIZSQ-QMTHXVAHSA-N 2 1 234.343 2.009 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000423323231 387165534 /nfs/dbraw/zinc/16/55/34/387165534.db2.gz OQXXLLWYNYAUGU-ZWNOBZJWSA-N 2 1 204.317 2.075 20 0 BEADMP CCO[C@H]1C[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000571745703 387166849 /nfs/dbraw/zinc/16/68/49/387166849.db2.gz WKIZNBPEFOJHLQ-STQMWFEESA-N 2 1 240.391 2.016 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000423324271 387167959 /nfs/dbraw/zinc/16/79/59/387167959.db2.gz KLLIEVMRAXJVLY-IPYPFGDCSA-N 2 1 248.370 2.091 20 0 BEADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423328162 387170547 /nfs/dbraw/zinc/17/05/47/387170547.db2.gz NTLOHPVGHGVRRJ-YIKOMLBNSA-N 2 1 248.370 2.124 20 0 BEADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cncs1 ZINC000423328845 387170835 /nfs/dbraw/zinc/17/08/35/387170835.db2.gz MFRLUZQWNASLHI-ZYHUDNBSSA-N 2 1 239.388 2.183 20 0 BEADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[NH3+])C12CCCCC2 ZINC000423329555 387173229 /nfs/dbraw/zinc/17/32/29/387173229.db2.gz OSELUCJGJXTKJE-FRRDWIJNSA-N 2 1 240.391 2.051 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000423331280 387175743 /nfs/dbraw/zinc/17/57/43/387175743.db2.gz QARNTNGNXSYQTE-DYEKYZERSA-N 2 1 233.359 2.045 20 0 BEADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc2c(c1)COC2 ZINC000423331726 387177587 /nfs/dbraw/zinc/17/75/87/387177587.db2.gz UUADZNSIEMLYLW-BONVTDFDSA-N 2 1 246.354 2.105 20 0 BEADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]([NH3+])C1CC1)CC2 ZINC000423333158 387179300 /nfs/dbraw/zinc/17/93/00/387179300.db2.gz VMEODQKRMFLQGP-LSDHHAIUSA-N 2 1 230.355 2.309 20 0 BEADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423334865 387180272 /nfs/dbraw/zinc/18/02/72/387180272.db2.gz SVBUHGBKMRLPML-UTUOFQBUSA-N 2 1 236.359 2.124 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000423333992 387182034 /nfs/dbraw/zinc/18/20/34/387182034.db2.gz SBRBRHTUFNLAKG-VXGBXAGGSA-N 2 1 220.360 2.290 20 0 BEADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1N(C)C ZINC000423336641 387182787 /nfs/dbraw/zinc/18/27/87/387182787.db2.gz UUMLBXIPCMVNPW-LBPRGKRZSA-N 2 1 247.386 2.285 20 0 BEADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccccn1 ZINC000423338060 387185529 /nfs/dbraw/zinc/18/55/29/387185529.db2.gz KMRAMTOZFVRBFS-OCCSQVGLSA-N 2 1 233.359 2.122 20 0 BEADMP [NH3+][C@@H](C[NH2+][C@@H]1CCCc2ccc(O)cc21)C1CC1 ZINC000423337372 387185736 /nfs/dbraw/zinc/18/57/36/387185736.db2.gz YGMDCJUDMFOEHJ-LSDHHAIUSA-N 2 1 246.354 2.097 20 0 BEADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccccn1 ZINC000423338063 387185983 /nfs/dbraw/zinc/18/59/83/387185983.db2.gz KMRAMTOZFVRBFS-TZMCWYRMSA-N 2 1 233.359 2.122 20 0 BEADMP c1ccc(CCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000336794650 387189805 /nfs/dbraw/zinc/18/98/05/387189805.db2.gz DPDRBMHDXUSNPD-CVEARBPZSA-N 2 1 244.382 2.303 20 0 BEADMP FCCC[C@H]1CCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423302744 387135548 /nfs/dbraw/zinc/13/55/48/387135548.db2.gz KFPNQBQZAQQYRB-FRRDWIJNSA-N 2 1 228.355 2.246 20 0 BEADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423356472 387207310 /nfs/dbraw/zinc/20/73/10/387207310.db2.gz JWCQKRMKPLXLAF-QJPTWQEYSA-N 2 1 210.365 2.153 20 0 BEADMP Cc1cc([C@H](C)[NH2+][C@@H](C)C[NH3+])cc(C)c1F ZINC000423358541 387209460 /nfs/dbraw/zinc/20/94/60/387209460.db2.gz BPFMSWGBTWMINK-QWRGUYRKSA-N 2 1 224.323 2.440 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)[C@H](C)C1 ZINC000423359845 387210849 /nfs/dbraw/zinc/21/08/49/387210849.db2.gz KZIHCXXDEFHQNC-XGFWRYKXSA-N 2 1 224.392 2.399 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])cc1C ZINC000423361913 387212667 /nfs/dbraw/zinc/21/26/67/387212667.db2.gz GZUWCFVDUSXHLC-RYUDHWBXSA-N 2 1 206.333 2.301 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1C ZINC000423361512 387213378 /nfs/dbraw/zinc/21/33/78/387213378.db2.gz GZUWCFVDUSXHLC-NWDGAFQWSA-N 2 1 206.333 2.301 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000423360550 387213962 /nfs/dbraw/zinc/21/39/62/387213962.db2.gz FSTYBNZASCTDSB-QWRGUYRKSA-N 2 1 218.344 2.173 20 0 BEADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCC2 ZINC000423426760 387252867 /nfs/dbraw/zinc/25/28/67/387252867.db2.gz HYVOPVNBVGHNCZ-BARDWOONSA-N 2 1 246.329 2.011 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000423365570 387217887 /nfs/dbraw/zinc/21/78/87/387217887.db2.gz KLLIEVMRAXJVLY-GUTXKFCHSA-N 2 1 248.370 2.091 20 0 BEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCc3ccccc3)C[C@H]12 ZINC000336796094 387226189 /nfs/dbraw/zinc/22/61/89/387226189.db2.gz PKKFEZHLSSWPSW-HRCADAONSA-N 2 1 244.382 2.288 20 0 BEADMP [NH3+]CCC[N@@H+](CCCF)Cc1ccccc1 ZINC000230030881 387228843 /nfs/dbraw/zinc/22/88/43/387228843.db2.gz IEHXSIGVNFGYEV-UHFFFAOYSA-N 2 1 224.323 2.197 20 0 BEADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H](C)C[NH3+] ZINC000423326342 387229402 /nfs/dbraw/zinc/22/94/02/387229402.db2.gz MRGKYIGINCQNRE-WZRBSPASSA-N 2 1 218.344 2.480 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)o1 ZINC000423373687 387230415 /nfs/dbraw/zinc/23/04/15/387230415.db2.gz JIYQQHNBOIVZJX-USWWRNFRSA-N 2 1 222.332 2.379 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000353579274 387233293 /nfs/dbraw/zinc/23/32/93/387233293.db2.gz TUDYZPCAZPMTJP-RDBSUJKOSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000353579274 387233296 /nfs/dbraw/zinc/23/32/96/387233296.db2.gz TUDYZPCAZPMTJP-RDBSUJKOSA-N 2 1 242.407 2.120 20 0 BEADMP CCC[C@H]([NH2+]C[C@H](C)[NH2+]C)C(C)(C)C ZINC000423398697 387234092 /nfs/dbraw/zinc/23/40/92/387234092.db2.gz UCXRYLPCPANQDC-QWRGUYRKSA-N 2 1 200.370 2.399 20 0 BEADMP CCc1[nH+]ccn1C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000572117685 387238590 /nfs/dbraw/zinc/23/85/90/387238590.db2.gz ACZPFDQIEBRRBE-GFCCVEGCSA-N 2 1 247.317 2.327 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000423405231 387241204 /nfs/dbraw/zinc/24/12/04/387241204.db2.gz SXQHQARAVFJWRO-NRUUGDAUSA-N 2 1 204.317 2.172 20 0 BEADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCC2 ZINC000423424287 387249791 /nfs/dbraw/zinc/24/97/91/387249791.db2.gz FRJVYXWKJPRXAR-XUWVNRHRSA-N 2 1 242.366 2.180 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000423462127 387310477 /nfs/dbraw/zinc/31/04/77/387310477.db2.gz KIMSETGGRHHCOF-JSGCOSHPSA-N 2 1 236.359 2.473 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000423463480 387311297 /nfs/dbraw/zinc/31/12/97/387311297.db2.gz LGERMCGMVQEJBK-KOLCDFICSA-N 2 1 240.322 2.222 20 0 BEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1C[C@H]1C ZINC000321903029 387313194 /nfs/dbraw/zinc/31/31/94/387313194.db2.gz NYSWDCSEBISATE-NCXFDQOBSA-N 2 1 222.376 2.246 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cncc(F)c1 ZINC000423376213 387257819 /nfs/dbraw/zinc/25/78/19/387257819.db2.gz KWJTWNQQFFHKKU-NRUUGDAUSA-N 2 1 237.322 2.012 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCCc2ccccc21 ZINC000423381409 387263577 /nfs/dbraw/zinc/26/35/77/387263577.db2.gz ZRDOZHFTOYMLCE-SMDDNHRTSA-N 2 1 218.344 2.391 20 0 BEADMP Cc1ccnc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000423389538 387274817 /nfs/dbraw/zinc/27/48/17/387274817.db2.gz VCPBLLKVURCNGZ-RWMBFGLXSA-N 2 1 233.359 2.181 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1cccc(OC)c1 ZINC000423471072 387317827 /nfs/dbraw/zinc/31/78/27/387317827.db2.gz POAQMOVLZZIVPH-GXTWGEPZSA-N 2 1 236.359 2.473 20 0 BEADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000423433408 387283098 /nfs/dbraw/zinc/28/30/98/387283098.db2.gz CIFCUPUGVHXOAD-VWYCJHECSA-N 2 1 249.358 2.031 20 0 BEADMP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000423432464 387284303 /nfs/dbraw/zinc/28/43/03/387284303.db2.gz MJRHTVNBRARMFD-RZFFKMDDSA-N 2 1 230.355 2.172 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCCNc2ccccc21)[C@H](C)[NH3+] ZINC000423431790 387284501 /nfs/dbraw/zinc/28/45/01/387284501.db2.gz AYKRRPMFIHKPEY-MISXGVKJSA-N 2 1 233.359 2.259 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1csc(C)c1 ZINC000423440068 387289912 /nfs/dbraw/zinc/28/99/12/387289912.db2.gz AJZWYZRZWBZREQ-GXSJLCMTSA-N 2 1 212.362 2.444 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000423440076 387291319 /nfs/dbraw/zinc/29/13/19/387291319.db2.gz AKSVCCJNACQXET-GXSJLCMTSA-N 2 1 240.322 2.222 20 0 BEADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000423444269 387292436 /nfs/dbraw/zinc/29/24/36/387292436.db2.gz LNLZKBSTSDCOQO-RWSFTLGLSA-N 2 1 248.370 2.398 20 0 BEADMP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccs1 ZINC000423443583 387293725 /nfs/dbraw/zinc/29/37/25/387293725.db2.gz VXLCCWIYJICESP-MIZYBKAJSA-N 2 1 222.357 2.007 20 0 BEADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Cl)cc1 ZINC000423444658 387294311 /nfs/dbraw/zinc/29/43/11/387294311.db2.gz WYPFZQNGXBDXHZ-KMLBCRHOSA-N 2 1 236.746 2.208 20 0 BEADMP COc1cc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])ccc1F ZINC000423448172 387298342 /nfs/dbraw/zinc/29/83/42/387298342.db2.gz PWYAJYCYBNRANC-GUBZILKMSA-N 2 1 240.322 2.221 20 0 BEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000423449778 387299326 /nfs/dbraw/zinc/29/93/26/387299326.db2.gz SCJIYQINXSYXAH-UTUOFQBUSA-N 2 1 235.375 2.139 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000423449776 387300553 /nfs/dbraw/zinc/30/05/53/387300553.db2.gz SCJIYQINXSYXAH-SRVKXCTJSA-N 2 1 235.375 2.139 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2c1cccc2OC ZINC000423455202 387302381 /nfs/dbraw/zinc/30/23/81/387302381.db2.gz BZYPJYJNCHXJMG-GWCFXTLKSA-N 2 1 234.343 2.009 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2sccc21 ZINC000423455427 387304008 /nfs/dbraw/zinc/30/40/08/387304008.db2.gz CLYZFUGEQSZQCY-MWLCHTKSSA-N 2 1 224.373 2.452 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCCc2sccc21 ZINC000423455429 387304853 /nfs/dbraw/zinc/30/48/53/387304853.db2.gz CLYZFUGEQSZQCY-ONGXEEELSA-N 2 1 224.373 2.452 20 0 BEADMP C[N@@H+](CC1(C)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000514928335 387308316 /nfs/dbraw/zinc/30/83/16/387308316.db2.gz TZDDECPXMXYOIO-FUNVUKJBSA-N 2 1 222.376 2.344 20 0 BEADMP C[NH+](CC1(C)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000514928335 387308322 /nfs/dbraw/zinc/30/83/22/387308322.db2.gz TZDDECPXMXYOIO-FUNVUKJBSA-N 2 1 222.376 2.344 20 0 BEADMP C[NH+](CC1(C)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000514928335 387308327 /nfs/dbraw/zinc/30/83/27/387308327.db2.gz TZDDECPXMXYOIO-FUNVUKJBSA-N 2 1 222.376 2.344 20 0 BEADMP [NH3+]C1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000430618908 387375813 /nfs/dbraw/zinc/37/58/13/387375813.db2.gz XSAHFBUGZYDGRK-UHFFFAOYSA-N 2 1 240.391 2.149 20 0 BEADMP CO[C@@H](C)[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373522735 387378044 /nfs/dbraw/zinc/37/80/44/387378044.db2.gz OAFOMBMOBIJYIQ-KBHBFKLGSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(OC)c1 ZINC000423484522 387330086 /nfs/dbraw/zinc/33/00/86/387330086.db2.gz YOADTNPJWSPKEV-PWSUYJOCSA-N 2 1 222.332 2.083 20 0 BEADMP C[C@@H](C[NH3+])[NH2+]Cc1cccc2ccccc21 ZINC000162061358 387332317 /nfs/dbraw/zinc/33/23/17/387332317.db2.gz FSHWVTSLBVCGTE-NSHDSACASA-N 2 1 214.312 2.277 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000515125242 387338268 /nfs/dbraw/zinc/33/82/68/387338268.db2.gz KCGJRBXBXVGYOR-RGDJUOJXSA-N 2 1 240.391 2.015 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000515125242 387338272 /nfs/dbraw/zinc/33/82/72/387338272.db2.gz KCGJRBXBXVGYOR-RGDJUOJXSA-N 2 1 240.391 2.015 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423502399 387343956 /nfs/dbraw/zinc/34/39/56/387343956.db2.gz LWAXFCXTLLHNRB-RTXFEEFZSA-N 2 1 210.365 2.282 20 0 BEADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000423509715 387344563 /nfs/dbraw/zinc/34/45/63/387344563.db2.gz IXVXUNDYJTUATF-CABCVRRESA-N 2 1 248.370 2.106 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1C[C@H]1C ZINC000321989886 387345113 /nfs/dbraw/zinc/34/51/13/387345113.db2.gz DWWGNUCUHUVTGH-FRRDWIJNSA-N 2 1 212.381 2.351 20 0 BEADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)C1CC1 ZINC000423508467 387345524 /nfs/dbraw/zinc/34/55/24/387345524.db2.gz QVRATTDTMDBVPK-OLZOCXBDSA-N 2 1 210.365 2.282 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@@H]1C[C@H]1C ZINC000423508656 387345960 /nfs/dbraw/zinc/34/59/60/387345960.db2.gz IXDRIYIRGYOQKA-XHXGSEDSSA-N 2 1 244.382 2.376 20 0 BEADMP c1cnc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000643501128 387349569 /nfs/dbraw/zinc/34/95/69/387349569.db2.gz VMFDHUKTBMYNIJ-GXTWGEPZSA-N 2 1 245.370 2.048 20 0 BEADMP CCSCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000121865942 387423409 /nfs/dbraw/zinc/42/34/09/387423409.db2.gz RUWVDMSCNJBRQB-ZDUSSCGKSA-N 2 1 242.432 2.157 20 0 BEADMP CSC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CCC1 ZINC000304004846 387428269 /nfs/dbraw/zinc/42/82/69/387428269.db2.gz SYEMWLFCOLLZIC-NEPJUHHUSA-N 2 1 242.432 2.202 20 0 BEADMP CC(C)c1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])on1 ZINC000643455250 387389021 /nfs/dbraw/zinc/38/90/21/387389021.db2.gz PFHAQBOSRYNVFU-UWVGGRQHSA-N 2 1 225.336 2.013 20 0 BEADMP CC(C)c1cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])on1 ZINC000643455190 387391023 /nfs/dbraw/zinc/39/10/23/387391023.db2.gz DSINFAZVFKPNMI-PWSUYJOCSA-N 2 1 237.347 2.015 20 0 BEADMP CC[C@@H](C)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000121684772 387392437 /nfs/dbraw/zinc/39/24/37/387392437.db2.gz CDPFHFWLGWJEDL-ZIAGYGMSSA-N 2 1 224.392 2.450 20 0 BEADMP c1cn(CC[N@@H+](CC2CC2)C2CCC2)cn1 ZINC000361578046 387498179 /nfs/dbraw/zinc/49/81/79/387498179.db2.gz NHENFEMTNRFFLP-UHFFFAOYSA-N 2 1 219.332 2.148 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000355295865 387515286 /nfs/dbraw/zinc/51/52/86/387515286.db2.gz SFJNGIMXPOVDQQ-MCIONIFRSA-N 2 1 242.407 2.121 20 0 BEADMP CO[C@H](C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000379241319 387532098 /nfs/dbraw/zinc/53/20/98/387532098.db2.gz WZKTUCDRJVNGKP-GZBFAFLISA-N 2 1 248.370 2.043 20 0 BEADMP Cc1nccn1CC[N@H+](C)Cc1cnccc1C ZINC000361444069 387462690 /nfs/dbraw/zinc/46/26/90/387462690.db2.gz GQOPXLDBOZTFAP-UHFFFAOYSA-N 2 1 244.342 2.027 20 0 BEADMP CC(C)=CCC[C@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643506058 387466890 /nfs/dbraw/zinc/46/68/90/387466890.db2.gz JLCHHAZHOGOFQE-LBPRGKRZSA-N 2 1 210.365 2.463 20 0 BEADMP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507791 387479786 /nfs/dbraw/zinc/47/97/86/387479786.db2.gz PPVRZWCQUAPLFP-RYUDHWBXSA-N 2 1 210.365 2.153 20 0 BEADMP C(C[NH2+][C@@H]1CCCC12CCC2)[NH2+]C1CC1 ZINC000643508012 387481350 /nfs/dbraw/zinc/48/13/50/387481350.db2.gz ZONTWVUVDLSEJB-GFCCVEGCSA-N 2 1 208.349 2.051 20 0 BEADMP CC1CCC([NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396708648 387483263 /nfs/dbraw/zinc/48/32/63/387483263.db2.gz OKANJBCXBRHBHB-KPFVRQRISA-N 2 1 210.365 2.295 20 0 BEADMP COC[C@H](C)C[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000527115920 387484505 /nfs/dbraw/zinc/48/45/05/387484505.db2.gz GGFVBXYHQZHONI-RDBSUJKOSA-N 2 1 242.407 2.121 20 0 BEADMP COC[C@H](C)C[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000527115920 387484512 /nfs/dbraw/zinc/48/45/12/387484512.db2.gz GGFVBXYHQZHONI-RDBSUJKOSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)C[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000396780036 387492537 /nfs/dbraw/zinc/49/25/37/387492537.db2.gz URZICZSHJUQPIL-ZIAGYGMSSA-N 2 1 224.392 2.497 20 0 BEADMP CCSCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375763842 387580366 /nfs/dbraw/zinc/58/03/66/387580366.db2.gz NXJCDTOLKUBBMU-FUNVUKJBSA-N 2 1 242.432 2.297 20 0 BEADMP CCSCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375763842 387580367 /nfs/dbraw/zinc/58/03/67/387580367.db2.gz NXJCDTOLKUBBMU-FUNVUKJBSA-N 2 1 242.432 2.297 20 0 BEADMP CCSCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375763842 387580372 /nfs/dbraw/zinc/58/03/72/387580372.db2.gz NXJCDTOLKUBBMU-FUNVUKJBSA-N 2 1 242.432 2.297 20 0 BEADMP C[C@H](Cc1cccs1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000643512660 387596840 /nfs/dbraw/zinc/59/68/40/387596840.db2.gz OJUUYMWNCJPOHL-SKDRFNHKSA-N 2 1 224.373 2.006 20 0 BEADMP CC[C@H](Cc1cccs1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000643512625 387597062 /nfs/dbraw/zinc/59/70/62/387597062.db2.gz LPBQKMLYLAAVEL-DGCLKSJQSA-N 2 1 238.400 2.396 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000643514590 387598906 /nfs/dbraw/zinc/59/89/06/387598906.db2.gz WMUMUCUMRNRPCO-YNEHKIRRSA-N 2 1 228.380 2.051 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(C2CC2)c1 ZINC000422558899 387600357 /nfs/dbraw/zinc/60/03/57/387600357.db2.gz ZXZZYSLPPNULNH-CQSZACIVSA-N 2 1 218.344 2.391 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)ccn1 ZINC000527538878 387607930 /nfs/dbraw/zinc/60/79/30/387607930.db2.gz KCHRNTFEGUZEMZ-HNNXBMFYSA-N 2 1 247.386 2.306 20 0 BEADMP Cc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)ccn1 ZINC000527538878 387607934 /nfs/dbraw/zinc/60/79/34/387607934.db2.gz KCHRNTFEGUZEMZ-HNNXBMFYSA-N 2 1 247.386 2.306 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c(C)c1 ZINC000422700403 387615561 /nfs/dbraw/zinc/61/55/61/387615561.db2.gz GWSZRCKLZMBSCZ-CZUORRHYSA-N 2 1 246.398 2.434 20 0 BEADMP Cc1csc([C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+])n1 ZINC000422707378 387620308 /nfs/dbraw/zinc/62/03/08/387620308.db2.gz WMVDOQIWHGKTQB-XKSSXDPKSA-N 2 1 227.377 2.228 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)c(C)n1 ZINC000643516383 387623664 /nfs/dbraw/zinc/62/36/64/387623664.db2.gz NBSLATPGHVALAK-YGRLFVJLSA-N 2 1 233.359 2.086 20 0 BEADMP CCC(CC)[C@@H](C[NH2+]C1CCOCC1)[NH+](C)C ZINC000036304523 387554865 /nfs/dbraw/zinc/55/48/65/387554865.db2.gz GZTIIMWVSDKEEU-CQSZACIVSA-N 2 1 242.407 2.121 20 0 BEADMP COCCCCC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430556769 387627653 /nfs/dbraw/zinc/62/76/53/387627653.db2.gz VBIAKKYYAGMRLK-ZDUSSCGKSA-N 2 1 230.396 2.108 20 0 BEADMP CC(C)OCCC[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000430645220 387636860 /nfs/dbraw/zinc/63/68/60/387636860.db2.gz ZXQDHWKMEKRDTP-QWHCGFSZSA-N 2 1 228.380 2.003 20 0 BEADMP CC(C)OCCC[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000430645220 387636862 /nfs/dbraw/zinc/63/68/62/387636862.db2.gz ZXQDHWKMEKRDTP-QWHCGFSZSA-N 2 1 228.380 2.003 20 0 BEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(F)ccc1F ZINC000422736876 387645639 /nfs/dbraw/zinc/64/56/39/387645639.db2.gz HFRGOLYRGZEGBR-RKDXNWHRSA-N 2 1 228.286 2.180 20 0 BEADMP Cc1cccnc1[C@H]([NH2+][C@H](C)C1C[NH2+]C1)C(C)C ZINC000422748786 387653356 /nfs/dbraw/zinc/65/33/56/387653356.db2.gz WEOVGKJLRQRPML-TZMCWYRMSA-N 2 1 247.386 2.285 20 0 BEADMP C[C@H](C[C@H](C)[NH3+])NC[C@H](c1ccccc1)[NH+](C)C ZINC000422750977 387654973 /nfs/dbraw/zinc/65/49/73/387654973.db2.gz FCFPTKOTCWOYCF-GZBFAFLISA-N 2 1 249.402 2.005 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000125464930 387656536 /nfs/dbraw/zinc/65/65/36/387656536.db2.gz LLAYEOXJBXUEQP-KBPBESRZSA-N 2 1 222.376 2.226 20 0 BEADMP Cc1ccccc1CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422756612 387660926 /nfs/dbraw/zinc/66/09/26/387660926.db2.gz LWOWQDABMPXESO-UKRRQHHQSA-N 2 1 232.371 2.125 20 0 BEADMP C[C@H](CCC[NH3+])[NH2+][C@@H](CCN(C)C)C(C)(C)C ZINC000422760057 387664240 /nfs/dbraw/zinc/66/42/40/387664240.db2.gz LMISRIDRBMPSST-OLZOCXBDSA-N 2 1 243.439 2.070 20 0 BEADMP CC[C@@H]([NH2+]CCOc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422768194 387668967 /nfs/dbraw/zinc/66/89/67/387668967.db2.gz ZDNKYZWNEIQALA-CABCVRRESA-N 2 1 248.370 2.186 20 0 BEADMP CC[C@H](COC)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000125971802 387670972 /nfs/dbraw/zinc/67/09/72/387670972.db2.gz MIOZSOGTWIPLKV-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(F)cc1F ZINC000422776274 387672153 /nfs/dbraw/zinc/67/21/53/387672153.db2.gz CMRZXKPSRKDRHC-DTWKUNHWSA-N 2 1 228.286 2.180 20 0 BEADMP COc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422774399 387673206 /nfs/dbraw/zinc/67/32/06/387673206.db2.gz WVFFQHAHDVPESI-LSDHHAIUSA-N 2 1 248.370 2.445 20 0 BEADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422782174 387680691 /nfs/dbraw/zinc/68/06/91/387680691.db2.gz JNXBMIXBICHWIF-NEPJUHHUSA-N 2 1 248.370 2.262 20 0 BEADMP CC(C)[C@H](O)CC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422788018 387686418 /nfs/dbraw/zinc/68/64/18/387686418.db2.gz VANHHNKOJYFUEA-QLFBSQMISA-N 2 1 248.370 2.128 20 0 BEADMP C1=CC[C@H](C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CC1 ZINC000128416249 387745718 /nfs/dbraw/zinc/74/57/18/387745718.db2.gz JTRANVTUCAOJGJ-MELADBBJSA-N 2 1 220.360 2.027 20 0 BEADMP CCCOc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643526308 387750633 /nfs/dbraw/zinc/75/06/33/387750633.db2.gz YYKAHDUDARGASG-RYUDHWBXSA-N 2 1 236.359 2.473 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000643526301 387750653 /nfs/dbraw/zinc/75/06/53/387750653.db2.gz XXTTWOFHZXPKDK-RKDXNWHRSA-N 2 1 244.285 2.286 20 0 BEADMP CCOc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643526157 387750692 /nfs/dbraw/zinc/75/06/92/387750692.db2.gz RAABQHOYDVTECX-QWRGUYRKSA-N 2 1 222.332 2.083 20 0 BEADMP CCc1noc(CC)c1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422869652 387750844 /nfs/dbraw/zinc/75/08/44/387750844.db2.gz WOHWLPWXEXZXTF-NXEZZACHSA-N 2 1 239.363 2.015 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(F)cc1 ZINC000643526209 387750859 /nfs/dbraw/zinc/75/08/59/387750859.db2.gz URGITXVWXBSARK-BXKDBHETSA-N 2 1 210.296 2.214 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000643525769 387752069 /nfs/dbraw/zinc/75/20/69/387752069.db2.gz FBBSEPCXVSRNCL-RKDXNWHRSA-N 2 1 212.724 2.338 20 0 BEADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](C)[NH3+] ZINC000643525723 387752909 /nfs/dbraw/zinc/75/29/09/387752909.db2.gz CRTFKENDBAAZKR-HZMBPMFUSA-N 2 1 234.343 2.009 20 0 BEADMP CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000422878761 387754851 /nfs/dbraw/zinc/75/48/51/387754851.db2.gz KOBJREQDIAOQJS-ZIAGYGMSSA-N 2 1 234.343 2.055 20 0 BEADMP C[C@H](CCc1ccco1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000643520935 387706844 /nfs/dbraw/zinc/70/68/44/387706844.db2.gz FZUZMWQFMGUXBG-BZPMIXESSA-N 2 1 236.359 2.188 20 0 BEADMP C[C@]12C[N@@H+](CCn3ccnc3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000452042312 387711790 /nfs/dbraw/zinc/71/17/90/387711790.db2.gz FGIWVSBQFIZJAH-LXTVHRRPSA-N 2 1 245.370 2.251 20 0 BEADMP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)s1 ZINC000643525847 387755577 /nfs/dbraw/zinc/75/55/77/387755577.db2.gz UVFYJYQSZYVPTP-WCABBAIRSA-N 2 1 239.388 2.243 20 0 BEADMP CCC[C@H]([NH2+]C[C@H](C)[NH3+])c1ccccc1 ZINC000643525944 387755791 /nfs/dbraw/zinc/75/57/91/387755791.db2.gz JOOJPSAUSCEKTA-AAEUAGOBSA-N 2 1 206.333 2.465 20 0 BEADMP Cc1cccc(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000422844061 387733272 /nfs/dbraw/zinc/73/32/72/387733272.db2.gz KSKFYSSIUNHHOT-UKRRQHHQSA-N 2 1 232.371 2.125 20 0 BEADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422899030 387766679 /nfs/dbraw/zinc/76/66/79/387766679.db2.gz GRUYVYFGXWAUBB-UTUOFQBUSA-N 2 1 249.358 2.102 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000643527612 387767270 /nfs/dbraw/zinc/76/72/70/387767270.db2.gz PFBUEJOUNSRWRJ-YGRLFVJLSA-N 2 1 243.354 2.482 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000643527611 387767501 /nfs/dbraw/zinc/76/75/01/387767501.db2.gz PFBUEJOUNSRWRJ-QMTHXVAHSA-N 2 1 243.354 2.482 20 0 BEADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)[NH3+])CCC2 ZINC000643528395 387770609 /nfs/dbraw/zinc/77/06/09/387770609.db2.gz IRJWJSKJTXKHFO-IINYFYTJSA-N 2 1 234.343 2.009 20 0 BEADMP CCc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])s1 ZINC000643528925 387771980 /nfs/dbraw/zinc/77/19/80/387771980.db2.gz QVUNUDBPVPUZQS-BDAKNGLRSA-N 2 1 212.362 2.308 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000643528851 387773400 /nfs/dbraw/zinc/77/34/00/387773400.db2.gz QESSTFQQGSKVFW-QWRGUYRKSA-N 2 1 218.344 2.173 20 0 BEADMP Cc1cc([C@H](C)[NH2+]C[C@H](C)[NH3+])cc(C)c1F ZINC000643529075 387773817 /nfs/dbraw/zinc/77/38/17/387773817.db2.gz UKJONSPXGRJHEN-QWRGUYRKSA-N 2 1 224.323 2.440 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCCc2sccc21 ZINC000643529099 387774340 /nfs/dbraw/zinc/77/43/40/387774340.db2.gz VETNZUKNYQFSSN-WCBMZHEXSA-N 2 1 210.346 2.062 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000643528164 387774551 /nfs/dbraw/zinc/77/45/51/387774551.db2.gz DUFHKGIIYBRKKM-BXUZGUMPSA-N 2 1 218.344 2.465 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000643528122 387775388 /nfs/dbraw/zinc/77/53/88/387775388.db2.gz ZURQWIBPBRONHM-TVQRCGJNSA-N 2 1 222.307 2.140 20 0 BEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CC(C)C1 ZINC000422922235 387778197 /nfs/dbraw/zinc/77/81/97/387778197.db2.gz SGSSBYONSPPCBD-SROGKVSYSA-N 2 1 232.371 2.333 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1CC=CC1 ZINC000527947006 387782810 /nfs/dbraw/zinc/78/28/10/387782810.db2.gz WEBOSCMHYLRRJE-MBNYWOFBSA-N 2 1 222.376 2.271 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422980113 387790854 /nfs/dbraw/zinc/79/08/54/387790854.db2.gz KVNZMXPMZQQTPM-ZFWWWQNUSA-N 2 1 232.371 2.268 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C2(C)CC2)C1 ZINC000151131147 387801879 /nfs/dbraw/zinc/80/18/79/387801879.db2.gz FDIJKVHFAQEVSH-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000422995001 387802543 /nfs/dbraw/zinc/80/25/43/387802543.db2.gz WUJJJHQGJTUXDI-MXWKQRLJSA-N 2 1 232.318 2.152 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000422999179 387805049 /nfs/dbraw/zinc/80/50/49/387805049.db2.gz DVIJNVRXOBAZAG-AAEUAGOBSA-N 2 1 222.376 2.154 20 0 BEADMP C[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)C1C[NH2+]C1 ZINC000422949522 387807080 /nfs/dbraw/zinc/80/70/80/387807080.db2.gz VLHCLYPATQLWGT-SNVBAGLBSA-N 2 1 234.318 2.012 20 0 BEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCC1 ZINC000422954234 387809486 /nfs/dbraw/zinc/80/94/86/387809486.db2.gz HKQXHESKKIICEW-RISCZKNCSA-N 2 1 218.344 2.087 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CC1(C)C)c1c[nH+]ccc1N ZINC000422953607 387809540 /nfs/dbraw/zinc/80/95/40/387809540.db2.gz FWHHBZGGXCIDMN-UWVGGRQHSA-N 2 1 219.332 2.191 20 0 BEADMP CSC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000193826620 387810273 /nfs/dbraw/zinc/81/02/73/387810273.db2.gz PIQKAGGOXVZLQP-IJLUTSLNSA-N 2 1 242.432 2.200 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CC12CC2 ZINC000527852993 387756818 /nfs/dbraw/zinc/75/68/18/387756818.db2.gz SAOAJRMNZLNELG-DGAVXFQQSA-N 2 1 234.387 2.391 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CC12CC2 ZINC000527852993 387756826 /nfs/dbraw/zinc/75/68/26/387756826.db2.gz SAOAJRMNZLNELG-DGAVXFQQSA-N 2 1 234.387 2.391 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000643527056 387759450 /nfs/dbraw/zinc/75/94/50/387759450.db2.gz COEPVTWVMNSRME-PRHODGIISA-N 2 1 224.735 2.264 20 0 BEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@H]1CCc2ccc(F)cc21 ZINC000442779838 387839983 /nfs/dbraw/zinc/83/99/83/387839983.db2.gz JQVCJFMBVCIOKL-HFAKWTLXSA-N 2 1 248.345 2.482 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCCCS1)[C@H]1CCCC[NH2+]1 ZINC000423033271 387849180 /nfs/dbraw/zinc/84/91/80/387849180.db2.gz NXZCDPAUSGAECU-FRRDWIJNSA-N 2 1 242.432 2.392 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCCCS1)[C@@H]1CCCC[NH2+]1 ZINC000423033273 387849261 /nfs/dbraw/zinc/84/92/61/387849261.db2.gz NXZCDPAUSGAECU-UPJWGTAASA-N 2 1 242.432 2.392 20 0 BEADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1C[C@@H]1C ZINC000322025150 387856335 /nfs/dbraw/zinc/85/63/35/387856335.db2.gz LAXQQBIBALMDSD-DRZSPHRISA-N 2 1 210.365 2.105 20 0 BEADMP COc1ccc(F)cc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423066127 387870492 /nfs/dbraw/zinc/87/04/92/387870492.db2.gz WBGKIRIBMKDFLY-NXEZZACHSA-N 2 1 240.322 2.050 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC12CCCC2)[C@@H]1CCCC[NH2+]1 ZINC000423071928 387872381 /nfs/dbraw/zinc/87/23/81/387872381.db2.gz GLJLYQPPKLWPCG-FRRDWIJNSA-N 2 1 222.376 2.439 20 0 BEADMP C[C@H]([NH3+])C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000442662651 387816780 /nfs/dbraw/zinc/81/67/80/387816780.db2.gz FQZOXKWZPJUGBW-LOWVWBTDSA-N 2 1 236.334 2.351 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000442662651 387816784 /nfs/dbraw/zinc/81/67/84/387816784.db2.gz FQZOXKWZPJUGBW-LOWVWBTDSA-N 2 1 236.334 2.351 20 0 BEADMP Cc1cnccc1CC[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000564081159 387819278 /nfs/dbraw/zinc/81/92/78/387819278.db2.gz ZDVPRGORBQBCTH-GJZGRUSLSA-N 2 1 248.370 2.025 20 0 BEADMP CC[C@@H]([NH2+]CCSC(C)C)[C@@H]1CCC[NH2+]1 ZINC000423101184 387889607 /nfs/dbraw/zinc/88/96/07/387889607.db2.gz CPLRUWNFQRJPIR-NEPJUHHUSA-N 2 1 230.421 2.248 20 0 BEADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)c2ccccc21 ZINC000423107622 387891164 /nfs/dbraw/zinc/89/11/64/387891164.db2.gz LDQOBMSMPPUVKY-WHOHXGKFSA-N 2 1 238.281 2.374 20 0 BEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]1C ZINC000423109605 387893976 /nfs/dbraw/zinc/89/39/76/387893976.db2.gz NXMFEFDGVWISLL-OSRDXIQISA-N 2 1 232.371 2.333 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000423117615 387898342 /nfs/dbraw/zinc/89/83/42/387898342.db2.gz WGAIUBRWQNAMFQ-IJLUTSLNSA-N 2 1 246.345 2.400 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])c(C)n1 ZINC000643539850 387881905 /nfs/dbraw/zinc/88/19/05/387881905.db2.gz DPVOLNCOJYZGBL-FOGDFJRCSA-N 2 1 221.348 2.085 20 0 BEADMP CC[C@H]([NH2+]CCc1ncccc1C)[C@@H]1CCC[NH2+]1 ZINC000423151311 387929218 /nfs/dbraw/zinc/92/92/18/387929218.db2.gz JSVMSPRDKUPOSZ-ZFWWWQNUSA-N 2 1 247.386 2.053 20 0 BEADMP Cc1occc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000321030038 387932491 /nfs/dbraw/zinc/93/24/91/387932491.db2.gz XMMGPFUYTBRZKS-GFCCVEGCSA-N 2 1 234.343 2.162 20 0 BEADMP Cc1occc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000321030038 387932495 /nfs/dbraw/zinc/93/24/95/387932495.db2.gz XMMGPFUYTBRZKS-GFCCVEGCSA-N 2 1 234.343 2.162 20 0 BEADMP CC[C@@H]([NH2+]C[C@H](OC)[C@@H](C)CC)[C@@H]1CCC[NH2+]1 ZINC000423152466 387932896 /nfs/dbraw/zinc/93/28/96/387932896.db2.gz FEMSMKPBRPPBLE-CRWXNKLISA-N 2 1 242.407 2.168 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCOC2CCCC2)CC[N@H+]1C ZINC000156147081 387926000 /nfs/dbraw/zinc/92/60/00/387926000.db2.gz RUICNPXDCJYEDF-OLZOCXBDSA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423148231 387926113 /nfs/dbraw/zinc/92/61/13/387926113.db2.gz FLCPQBANONRXSD-WOPDTQHZSA-N 2 1 233.359 2.437 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)C1CCC1 ZINC000423150245 387927186 /nfs/dbraw/zinc/92/71/86/387927186.db2.gz ILYQAMUGHOCHQA-YPMHNXCESA-N 2 1 224.392 2.400 20 0 BEADMP CCSCC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424287487 387953486 /nfs/dbraw/zinc/95/34/86/387953486.db2.gz IWKOADFTNLDQRV-LBPRGKRZSA-N 2 1 242.432 2.204 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1C[C@H]1C ZINC000321056694 387938369 /nfs/dbraw/zinc/93/83/69/387938369.db2.gz HVZMEESONKCQFP-HTOAHKCRSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1C[C@H]1C ZINC000321056694 387938374 /nfs/dbraw/zinc/93/83/74/387938374.db2.gz HVZMEESONKCQFP-HTOAHKCRSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H](CCC[NH3+])[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000423161419 387943480 /nfs/dbraw/zinc/94/34/80/387943480.db2.gz NUOBNXWEWZNJFC-STQMWFEESA-N 2 1 242.432 2.333 20 0 BEADMP CC[C@H](C)[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)OC ZINC000423162859 387945885 /nfs/dbraw/zinc/94/58/85/387945885.db2.gz UJTVRSBOZBRCOD-XDQVBPFNSA-N 2 1 242.407 2.168 20 0 BEADMP Cc1occc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000321096798 387946919 /nfs/dbraw/zinc/94/69/19/387946919.db2.gz ROXNAHBMBLOKPC-LBPRGKRZSA-N 2 1 236.359 2.410 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)[C@@H]1C[C@@H]1C ZINC000321096409 387947134 /nfs/dbraw/zinc/94/71/34/387947134.db2.gz OGMGPKLYCBCSQK-FQUUOJAGSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@H](CCCC[NH3+])[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000423164543 387948721 /nfs/dbraw/zinc/94/87/21/387948721.db2.gz SWPKWSCJPLBVBM-KGLIPLIRSA-N 2 1 240.391 2.006 20 0 BEADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CCC1 ZINC000392298125 387951332 /nfs/dbraw/zinc/95/13/32/387951332.db2.gz WSKCBDORHRKEHA-AWEZNQCLSA-N 2 1 222.376 2.417 20 0 BEADMP Cc1cc([C@H]([NH2+]CC[NH3+])C2CC2)ccc1F ZINC000423187697 387972140 /nfs/dbraw/zinc/97/21/40/387972140.db2.gz PCLKYUDKEZPVJZ-CYBMUJFWSA-N 2 1 222.307 2.134 20 0 BEADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)[C@H]1C ZINC000245603553 387965583 /nfs/dbraw/zinc/96/55/83/387965583.db2.gz JLVCENIRZQBVIT-FRRDWIJNSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC000245603553 387965588 /nfs/dbraw/zinc/96/55/88/387965588.db2.gz JLVCENIRZQBVIT-FRRDWIJNSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)[C@H]1C ZINC000245603553 387965591 /nfs/dbraw/zinc/96/55/91/387965591.db2.gz JLVCENIRZQBVIT-FRRDWIJNSA-N 2 1 210.365 2.201 20 0 BEADMP CC[NH+]1CCC([N@H+](C)CCCOC(C)C)CC1 ZINC000158879440 387967806 /nfs/dbraw/zinc/96/78/06/387967806.db2.gz DBYKMEKXMYLERV-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)CCCOC(C)C)CC1 ZINC000158879440 387967810 /nfs/dbraw/zinc/96/78/10/387967810.db2.gz DBYKMEKXMYLERV-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)CC(F)(F)F ZINC000423182882 387968265 /nfs/dbraw/zinc/96/82/65/387968265.db2.gz LVOSINCBDSENEB-IVZWLZJFSA-N 2 1 238.297 2.163 20 0 BEADMP CC1(C)CC[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423183753 387969160 /nfs/dbraw/zinc/96/91/60/387969160.db2.gz GWGRHXSXFNWTQB-AWEZNQCLSA-N 2 1 247.386 2.340 20 0 BEADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423186046 387969366 /nfs/dbraw/zinc/96/93/66/387969366.db2.gz JWCQKRMKPLXLAF-IJLUTSLNSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424321183 387969633 /nfs/dbraw/zinc/96/96/33/387969633.db2.gz GYAODFBZGZXMSR-ZVJHWVFESA-N 2 1 236.403 2.493 20 0 BEADMP Cc1cc([C@@H]([NH2+]CC[NH3+])C2CC2)ccc1F ZINC000423187698 387970950 /nfs/dbraw/zinc/97/09/50/387970950.db2.gz PCLKYUDKEZPVJZ-ZDUSSCGKSA-N 2 1 222.307 2.134 20 0 BEADMP C[C@H]([NH2+]CCC[NH3+])c1nc2c(s1)CCCC2 ZINC000423186056 387971772 /nfs/dbraw/zinc/97/17/72/387971772.db2.gz JWLUSIYVNBWTEX-VIFPVBQESA-N 2 1 239.388 2.021 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1C1CC1 ZINC000423171528 387957702 /nfs/dbraw/zinc/95/77/02/387957702.db2.gz OUSNPZCBYBAXGX-BEAPCOKYSA-N 2 1 236.403 2.400 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453068857 387978707 /nfs/dbraw/zinc/97/87/07/387978707.db2.gz TVYMFRFXPSYVCW-DOMZBBRYSA-N 2 1 236.403 2.497 20 0 BEADMP CCc1cccnc1[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000423193904 387979645 /nfs/dbraw/zinc/97/96/45/387979645.db2.gz XIVLHQXFAVNOAC-NSHDSACASA-N 2 1 233.359 2.047 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000245739379 387979838 /nfs/dbraw/zinc/97/98/38/387979838.db2.gz LLAYEOXJBXUEQP-ZIAGYGMSSA-N 2 1 222.376 2.226 20 0 BEADMP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000453051380 387973677 /nfs/dbraw/zinc/97/36/77/387973677.db2.gz BEVUKRLPUUTTCY-LOWDOPEQSA-N 2 1 210.365 2.247 20 0 BEADMP [NH3+]CC[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000423189707 387974664 /nfs/dbraw/zinc/97/46/64/387974664.db2.gz RBTASTZMDITWRT-ZDUSSCGKSA-N 2 1 238.762 2.209 20 0 BEADMP C[C@@H]([NH2+]CC[NH3+])[C@@H](C)c1ccc(Cl)cc1 ZINC000423190172 387975888 /nfs/dbraw/zinc/97/58/88/387975888.db2.gz SBTXYYAFDGZOHH-NXEZZACHSA-N 2 1 226.751 2.380 20 0 BEADMP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]CC[NH3+])cc1 ZINC000423191507 387976256 /nfs/dbraw/zinc/97/62/56/387976256.db2.gz UIPFTRDQYXDTEW-KGLIPLIRSA-N 2 1 218.344 2.179 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccncc1 ZINC000453067923 387978363 /nfs/dbraw/zinc/97/83/63/387978363.db2.gz SFIQSVDKJLMBDD-DZGCQCFKSA-N 2 1 247.386 2.464 20 0 BEADMP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000423202534 387989106 /nfs/dbraw/zinc/98/91/06/387989106.db2.gz QXDUPLYALONGJX-JTQLQIEISA-N 2 1 240.322 2.094 20 0 BEADMP Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424370516 387994149 /nfs/dbraw/zinc/99/41/49/387994149.db2.gz DNDHDZYGOGRUAK-IACUBPJLSA-N 2 1 233.359 2.311 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)[C@@H]2CCC[C@@H]21 ZINC000424342176 387982783 /nfs/dbraw/zinc/98/27/83/387982783.db2.gz FJMJYNNHUHLMOT-IWTMDLJTSA-N 2 1 234.387 2.247 20 0 BEADMP C[NH2+]CCC[NH2+][C@H](C)c1cc(C)oc1C ZINC000423198371 387984031 /nfs/dbraw/zinc/98/40/31/387984031.db2.gz FNQFZHLRAOYJEI-SNVBAGLBSA-N 2 1 210.321 2.157 20 0 BEADMP C[NH2+]CCC[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000423198930 387985492 /nfs/dbraw/zinc/98/54/92/387985492.db2.gz IRHBPRSRPIDRDC-AWEZNQCLSA-N 2 1 235.375 2.368 20 0 BEADMP C[NH2+]CCC[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000423201846 387987066 /nfs/dbraw/zinc/98/70/66/387987066.db2.gz PXFLTDHKHFBUBT-LBPRGKRZSA-N 2 1 243.354 2.495 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)c1cncs1)[C@@H]1CCC[NH2+]C1 ZINC000423216170 387997426 /nfs/dbraw/zinc/99/74/26/387997426.db2.gz NZVOJBSXWIWFAA-OUAUKWLOSA-N 2 1 239.388 2.182 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424375937 387999178 /nfs/dbraw/zinc/99/91/78/387999178.db2.gz KUSMSFOZPDDWJO-VZZFWQQMSA-N 2 1 222.376 2.010 20 0 BEADMP C[NH2+]CC[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000423223423 388005398 /nfs/dbraw/zinc/00/53/98/388005398.db2.gz GLEJWRVDBWFKLW-OAHLLOKOSA-N 2 1 232.371 2.125 20 0 BEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000156584951 388006444 /nfs/dbraw/zinc/00/64/44/388006444.db2.gz GKLVAASCEAXVPI-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP C[NH2+]CC[NH2+][C@@H](Cc1ccc(C)cc1)C(C)C ZINC000423225625 388007921 /nfs/dbraw/zinc/00/79/21/388007921.db2.gz NNHREPKWEKPMKL-HNNXBMFYSA-N 2 1 234.387 2.371 20 0 BEADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000423226235 388009193 /nfs/dbraw/zinc/00/91/93/388009193.db2.gz PVSDXRKQVJXLQM-QPUJVOFHSA-N 2 1 240.297 2.279 20 0 BEADMP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)o1 ZINC000423214271 387996703 /nfs/dbraw/zinc/99/67/03/387996703.db2.gz ONUOKAWJENTOTP-NWDGAFQWSA-N 2 1 236.359 2.492 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C2CC(C)(F)C2)[C@@H]2CCC[C@@H]21 ZINC000453244820 388023963 /nfs/dbraw/zinc/02/39/63/388023963.db2.gz ZFZJWGIQBMLSQY-XCONPDAUSA-N 2 1 240.366 2.339 20 0 BEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccnc2)[C@@H](C)C1 ZINC000246273024 388025529 /nfs/dbraw/zinc/02/55/29/388025529.db2.gz AICNSSLIIGHRCQ-DZGCQCFKSA-N 2 1 247.386 2.244 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccnc2)[C@@H](C)C1 ZINC000246273024 388025533 /nfs/dbraw/zinc/02/55/33/388025533.db2.gz AICNSSLIIGHRCQ-DZGCQCFKSA-N 2 1 247.386 2.244 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccnc2)[C@@H](C)C1 ZINC000246273024 388025536 /nfs/dbraw/zinc/02/55/36/388025536.db2.gz AICNSSLIIGHRCQ-DZGCQCFKSA-N 2 1 247.386 2.244 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccnc2)[C@@H](C)C1 ZINC000246273024 388025538 /nfs/dbraw/zinc/02/55/38/388025538.db2.gz AICNSSLIIGHRCQ-DZGCQCFKSA-N 2 1 247.386 2.244 20 0 BEADMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(Cl)cn1 ZINC000423228278 388012809 /nfs/dbraw/zinc/01/28/09/388012809.db2.gz YYSOQXMLCIWEIA-DTWKUNHWSA-N 2 1 227.739 2.123 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCC(C)(F)F)[C@@H]2CCC[C@H]21 ZINC000453219442 388013110 /nfs/dbraw/zinc/01/31/10/388013110.db2.gz LNNBNTAGJSCUEB-SDDRHHMPSA-N 2 1 246.345 2.494 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000423235378 388018554 /nfs/dbraw/zinc/01/85/54/388018554.db2.gz AQWQJVKUCKZJSS-GFCCVEGCSA-N 2 1 210.365 2.298 20 0 BEADMP C[NH2+]CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000423235442 388018607 /nfs/dbraw/zinc/01/86/07/388018607.db2.gz AZHRNDYUHOCEAL-KBPBESRZSA-N 2 1 218.344 2.132 20 0 BEADMP C[NH2+]CC[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000423236760 388021338 /nfs/dbraw/zinc/02/13/38/388021338.db2.gz COYQSWLAFHIWAU-AWEZNQCLSA-N 2 1 220.360 2.063 20 0 BEADMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(F)cc1F ZINC000423237521 388021403 /nfs/dbraw/zinc/02/14/03/388021403.db2.gz UGMDWGHBHXVTNJ-DTWKUNHWSA-N 2 1 228.286 2.353 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000423252998 388035786 /nfs/dbraw/zinc/03/57/86/388035786.db2.gz YDBSCADFFJJQBL-OAHLLOKOSA-N 2 1 232.371 2.207 20 0 BEADMP C[C@@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C1CC1 ZINC000453298030 388038175 /nfs/dbraw/zinc/03/81/75/388038175.db2.gz WUSBWJKUCHKNBM-LSCVPOLPSA-N 2 1 210.365 2.103 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)[C@@H](C)O1 ZINC000423263470 388042532 /nfs/dbraw/zinc/04/25/32/388042532.db2.gz OKSVSCOODVWDDW-RFHZTLPTSA-N 2 1 240.391 2.050 20 0 BEADMP [NH3+]C[C@@H]([NH2+][C@H]1CCCc2ccccc21)C1CC1 ZINC000423265097 388043587 /nfs/dbraw/zinc/04/35/87/388043587.db2.gz AROJGWSSTMMKAP-LSDHHAIUSA-N 2 1 230.355 2.391 20 0 BEADMP CCC[C@@H]([NH2+]CC[NH2+]CC)C(C)(C)C ZINC000423245503 388028809 /nfs/dbraw/zinc/02/88/09/388028809.db2.gz YJVBWNCUXZPVBY-LLVKDONJSA-N 2 1 200.370 2.400 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000423265241 388044312 /nfs/dbraw/zinc/04/43/12/388044312.db2.gz CRODXQRNFCBDQC-UONOGXRCSA-N 2 1 236.334 2.386 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000423271974 388051469 /nfs/dbraw/zinc/05/14/69/388051469.db2.gz JNDRSFLUHLLPKC-UWVGGRQHSA-N 2 1 242.313 2.471 20 0 BEADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423273846 388052673 /nfs/dbraw/zinc/05/26/73/388052673.db2.gz JQAWTRIGDAOUEW-DFBGVHRSSA-N 2 1 248.370 2.090 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)CCO1 ZINC000423273142 388053790 /nfs/dbraw/zinc/05/37/90/388053790.db2.gz ZXYXPIOVXDBXOJ-XBFCOCLRSA-N 2 1 240.391 2.051 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000423275736 388056858 /nfs/dbraw/zinc/05/68/58/388056858.db2.gz NOKPNUOFWGUCLZ-GJZGRUSLSA-N 2 1 248.370 2.343 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000423277562 388058000 /nfs/dbraw/zinc/05/80/00/388058000.db2.gz PYSFDWXUFUTMSI-NXEZZACHSA-N 2 1 242.313 2.471 20 0 BEADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000453362255 388059981 /nfs/dbraw/zinc/05/99/81/388059981.db2.gz QYNAGTXDMHYPFM-FQUUOJAGSA-N 2 1 224.392 2.351 20 0 BEADMP COc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423279613 388062383 /nfs/dbraw/zinc/06/23/83/388062383.db2.gz RQUDMGOTUQIVRV-QMTHXVAHSA-N 2 1 234.343 2.083 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@H](C[NH3+])C2CC2)C1 ZINC000423281703 388063266 /nfs/dbraw/zinc/06/32/66/388063266.db2.gz UKXSSJCXZYKGCG-RSLMWUCJSA-N 2 1 210.365 2.138 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@@H](C[NH3+])C2CC2)C1 ZINC000423281704 388063344 /nfs/dbraw/zinc/06/33/44/388063344.db2.gz UKXSSJCXZYKGCG-URBCHYCLSA-N 2 1 210.365 2.138 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H](C[NH3+])C2CC2)C1 ZINC000423281701 388063419 /nfs/dbraw/zinc/06/34/19/388063419.db2.gz UKXSSJCXZYKGCG-DNIRFERGSA-N 2 1 210.365 2.138 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cc(C)oc1C ZINC000423281414 388064044 /nfs/dbraw/zinc/06/40/44/388064044.db2.gz VKVZVKQNHPDSSP-ONGXEEELSA-N 2 1 224.348 2.403 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccccc1N(C)C ZINC000423285590 388069748 /nfs/dbraw/zinc/06/97/48/388069748.db2.gz ZJMNBFFGRLGWAZ-TZMCWYRMSA-N 2 1 249.402 2.387 20 0 BEADMP C[C@@H]1CC[C@@H](C)[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000084048326 388069868 /nfs/dbraw/zinc/06/98/68/388069868.db2.gz OKOUGHNLHWSCFE-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000084048320 388071024 /nfs/dbraw/zinc/07/10/24/388071024.db2.gz OKOUGHNLHWSCFE-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@H]1C ZINC000453396859 388071278 /nfs/dbraw/zinc/07/12/78/388071278.db2.gz IWWWADXJWPERAL-DYEKYZERSA-N 2 1 224.392 2.495 20 0 BEADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccncc1 ZINC000423288560 388072650 /nfs/dbraw/zinc/07/26/50/388072650.db2.gz SVFRBPRSBJMJRZ-NSHDSACASA-N 2 1 221.348 2.250 20 0 BEADMP CCc1nc(C)c([C@H](C)[NH2+]CC(C)(C)[NH3+])s1 ZINC000423288688 388072794 /nfs/dbraw/zinc/07/27/94/388072794.db2.gz UJUORGXLNYRZQW-QMMMGPOBSA-N 2 1 241.404 2.402 20 0 BEADMP CC(C)[C@@H]([NH2+]CC(C)(C)[NH3+])c1cccnc1 ZINC000423288578 388072830 /nfs/dbraw/zinc/07/28/30/388072830.db2.gz TUBKQEMTBZZMRZ-GFCCVEGCSA-N 2 1 221.348 2.106 20 0 BEADMP Cc1cc[nH+]c(N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000084213370 388073087 /nfs/dbraw/zinc/07/30/87/388073087.db2.gz GXRMPCVWQYTFKT-NWDGAFQWSA-N 2 1 219.332 2.319 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H](C[NH3+])C2)C1 ZINC000084344487 388076602 /nfs/dbraw/zinc/07/66/02/388076602.db2.gz KPKMVIXWUOYEPM-HZSPNIEDSA-N 2 1 224.392 2.483 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1C[C@H](OCC)C1(C)C ZINC000423298185 388079917 /nfs/dbraw/zinc/07/99/17/388079917.db2.gz NMELIBVFCIZXQT-AGIUHOORSA-N 2 1 242.407 2.297 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453432675 388081054 /nfs/dbraw/zinc/08/10/54/388081054.db2.gz SBRCTWXFJFAMAX-CMPLNLGQSA-N 2 1 246.345 2.352 20 0 BEADMP CC(C)OC[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453601804 388089917 /nfs/dbraw/zinc/08/99/17/388089917.db2.gz VXSUWSNQTSBKPO-ZDUSSCGKSA-N 2 1 242.407 2.264 20 0 BEADMP Cc1cc(NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc[nH+]1 ZINC000447808877 388094228 /nfs/dbraw/zinc/09/42/28/388094228.db2.gz WUKPYVCPGLOBFK-AWEZNQCLSA-N 2 1 247.386 2.344 20 0 BEADMP C[C@@H](CC[NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000086729953 388108078 /nfs/dbraw/zinc/10/80/78/388108078.db2.gz BCXJVEYGINOXNH-JSGCOSHPSA-N 2 1 218.344 2.132 20 0 BEADMP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000083055232 388044928 /nfs/dbraw/zinc/04/49/28/388044928.db2.gz XEEOEKZVZYWSKH-MELADBBJSA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000083055232 388044929 /nfs/dbraw/zinc/04/49/29/388044929.db2.gz XEEOEKZVZYWSKH-MELADBBJSA-N 2 1 222.376 2.391 20 0 BEADMP Cc1cc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cs1 ZINC000423267643 388045315 /nfs/dbraw/zinc/04/53/15/388045315.db2.gz CZMSXOCEUCFUKJ-JOYOIKCWSA-N 2 1 224.373 2.444 20 0 BEADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(F)cc1 ZINC000423267684 388045830 /nfs/dbraw/zinc/04/58/30/388045830.db2.gz DCDLTCRKBLZHRS-NOZJJQNGSA-N 2 1 222.307 2.214 20 0 BEADMP C[C@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCC2)C1 ZINC000521370547 256519004 /nfs/dbraw/zinc/51/90/04/256519004.db2.gz WPRQPYCCORTFBH-QWHCGFSZSA-N 2 1 210.365 2.251 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000451578832 388282778 /nfs/dbraw/zinc/28/27/78/388282778.db2.gz XUPVKUBOFRIWIN-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000451579035 388282825 /nfs/dbraw/zinc/28/28/25/388282825.db2.gz XUPVKUBOFRIWIN-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](SC)C1 ZINC000451327005 388263613 /nfs/dbraw/zinc/26/36/13/388263613.db2.gz RUKJOBWXVILEET-LBPRGKRZSA-N 2 1 230.421 2.156 20 0 BEADMP CCC[N@@H+](C[C@@H]1CC[C@H](C)O1)C1CC[NH2+]CC1 ZINC000300034453 388346345 /nfs/dbraw/zinc/34/63/45/388346345.db2.gz XMZYAULPWGHSIR-JSGCOSHPSA-N 2 1 240.391 2.018 20 0 BEADMP CCOC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000233788495 388349043 /nfs/dbraw/zinc/34/90/43/388349043.db2.gz DSPFWPZGWGXGBQ-MJBXVCDLSA-N 2 1 242.407 2.120 20 0 BEADMP CCOC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000233788495 388349044 /nfs/dbraw/zinc/34/90/44/388349044.db2.gz DSPFWPZGWGXGBQ-MJBXVCDLSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CS[C@H](C)C1 ZINC000300369668 388362835 /nfs/dbraw/zinc/36/28/35/388362835.db2.gz ZQSKJOLMSWIVDA-NEPJUHHUSA-N 2 1 230.421 2.200 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@@H](C)CN)c(C)c1 ZINC000235145027 388365487 /nfs/dbraw/zinc/36/54/87/388365487.db2.gz YLLCKWLLHQNOLF-RYUDHWBXSA-N 2 1 206.333 2.301 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])c(C)c1 ZINC000235145027 388365491 /nfs/dbraw/zinc/36/54/91/388365491.db2.gz YLLCKWLLHQNOLF-RYUDHWBXSA-N 2 1 206.333 2.301 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000572887573 388384983 /nfs/dbraw/zinc/38/49/83/388384983.db2.gz USSUOHFJZKCOKO-SNPRPXQTSA-N 2 1 236.403 2.495 20 0 BEADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CC1(C)C ZINC000397580210 388480293 /nfs/dbraw/zinc/48/02/93/388480293.db2.gz HAXIBJAHGBGZGO-STQMWFEESA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CC1(C)C ZINC000397580207 388480657 /nfs/dbraw/zinc/48/06/57/388480657.db2.gz HAXIBJAHGBGZGO-QWHCGFSZSA-N 2 1 224.392 2.495 20 0 BEADMP c1csc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000335269852 388449113 /nfs/dbraw/zinc/44/91/13/388449113.db2.gz KNVAUGMOUHBZBA-TXEJJXNPSA-N 2 1 236.384 2.180 20 0 BEADMP CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336696012 388463089 /nfs/dbraw/zinc/46/30/89/388463089.db2.gz LWLTWNFHCPMIDC-FVCCEPFGSA-N 2 1 240.416 2.097 20 0 BEADMP CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336696015 388463558 /nfs/dbraw/zinc/46/35/58/388463558.db2.gz LWLTWNFHCPMIDC-MROQNXINSA-N 2 1 240.416 2.097 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403862762 388415245 /nfs/dbraw/zinc/41/52/45/388415245.db2.gz WSURMDYGKVRAJZ-APIJFGDWSA-N 2 1 236.403 2.354 20 0 BEADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)CO2 ZINC000573082370 388418897 /nfs/dbraw/zinc/41/88/97/388418897.db2.gz VZKMWNKJRWYVDO-YRGRVCCFSA-N 2 1 246.354 2.016 20 0 BEADMP CCC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)OC ZINC000356333487 388547689 /nfs/dbraw/zinc/54/76/89/388547689.db2.gz LDCBHIKUWFPZAU-REWJHTLYSA-N 2 1 242.407 2.120 20 0 BEADMP CCC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)OC ZINC000356333485 388548554 /nfs/dbraw/zinc/54/85/54/388548554.db2.gz LDCBHIKUWFPZAU-AAVRWANBSA-N 2 1 242.407 2.120 20 0 BEADMP CCC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)OC ZINC000356333474 388548605 /nfs/dbraw/zinc/54/86/05/388548605.db2.gz KYNXDFPWMLXFCU-MGPQQGTHSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)C1CC1 ZINC000397976431 388513730 /nfs/dbraw/zinc/51/37/30/388513730.db2.gz KRJAUPNCDIHQBW-CMPLNLGQSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH2+]CCc2c[nH+]cn2C)[C@H]1C ZINC000347772792 388524548 /nfs/dbraw/zinc/52/45/48/388524548.db2.gz JWRRCZOZYWFEAG-MBNYWOFBSA-N 2 1 235.375 2.377 20 0 BEADMP CC[C@H]1CC[C@H](C)[N@H+]1CC1CC[NH2+]CC1 ZINC000136185201 388525463 /nfs/dbraw/zinc/52/54/63/388525463.db2.gz CZYLIZODMZHZAZ-AAEUAGOBSA-N 2 1 210.365 2.249 20 0 BEADMP Cn1cncc1CCC[N@H+]1CCCC1(C)C ZINC000516978410 388529956 /nfs/dbraw/zinc/52/99/56/388529956.db2.gz FMKFBRBGXAZHLE-UHFFFAOYSA-N 2 1 221.348 2.227 20 0 BEADMP CCc1cc(N2CC[N@H+](CC)[C@@H](C)C2)cc[nH+]1 ZINC000649311190 388597911 /nfs/dbraw/zinc/59/79/11/388597911.db2.gz WPCQNOYZAXVWGE-LBPRGKRZSA-N 2 1 233.359 2.174 20 0 BEADMP Cc1ncccc1CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245744282 388602578 /nfs/dbraw/zinc/60/25/78/388602578.db2.gz MLQYUQGDLANSLB-SWLSCSKDSA-N 2 1 247.386 2.305 20 0 BEADMP Cc1ncccc1C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000245744282 388602580 /nfs/dbraw/zinc/60/25/80/388602580.db2.gz MLQYUQGDLANSLB-SWLSCSKDSA-N 2 1 247.386 2.305 20 0 BEADMP Cc1ncccc1C[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000245744282 388602582 /nfs/dbraw/zinc/60/25/82/388602582.db2.gz MLQYUQGDLANSLB-SWLSCSKDSA-N 2 1 247.386 2.305 20 0 BEADMP CC[N@H+]1CC[C@@H](CN[C@H](C)c2ccoc2)C1 ZINC000245867565 388609037 /nfs/dbraw/zinc/60/90/37/388609037.db2.gz MFJGSSMDRUOYIC-NEPJUHHUSA-N 2 1 222.332 2.272 20 0 BEADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccoc2)C1 ZINC000245867565 388609039 /nfs/dbraw/zinc/60/90/39/388609039.db2.gz MFJGSSMDRUOYIC-NEPJUHHUSA-N 2 1 222.332 2.272 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccoc2)C1 ZINC000245867565 388609040 /nfs/dbraw/zinc/60/90/40/388609040.db2.gz MFJGSSMDRUOYIC-NEPJUHHUSA-N 2 1 222.332 2.272 20 0 BEADMP Cc1ccc(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)o1 ZINC000521025811 388559416 /nfs/dbraw/zinc/55/94/16/388559416.db2.gz PZTNGAJHAZMDBF-OCCSQVGLSA-N 2 1 236.359 2.251 20 0 BEADMP CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367621440 388566143 /nfs/dbraw/zinc/56/61/43/388566143.db2.gz SXDORDIQVCYDBG-JHJVBQTASA-N 2 1 210.365 2.249 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOC(C)C)[C@@H](C)C1 ZINC000245412692 388577727 /nfs/dbraw/zinc/57/77/27/388577727.db2.gz AVPLBWSBHOEOPB-UONOGXRCSA-N 2 1 242.407 2.074 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOC(C)C)[C@@H](C)C1 ZINC000245412692 388577729 /nfs/dbraw/zinc/57/77/29/388577729.db2.gz AVPLBWSBHOEOPB-UONOGXRCSA-N 2 1 242.407 2.074 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOC(C)C)[C@@H](C)C1 ZINC000245412692 388577730 /nfs/dbraw/zinc/57/77/30/388577730.db2.gz AVPLBWSBHOEOPB-UONOGXRCSA-N 2 1 242.407 2.074 20 0 BEADMP CC/C=C/CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000184553037 388579497 /nfs/dbraw/zinc/57/94/97/388579497.db2.gz RBWKHNLHBQMAJB-URWSZGRFSA-N 2 1 210.365 2.226 20 0 BEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOC(C)C)C1 ZINC000081569609 388584879 /nfs/dbraw/zinc/58/48/79/388584879.db2.gz GHLWFOQMCPAEQR-AWEZNQCLSA-N 2 1 242.407 2.075 20 0 BEADMP COC[C@H](C)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247673365 388668638 /nfs/dbraw/zinc/66/86/38/388668638.db2.gz YWCIIBJJNZHWAI-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP COC[C@H](C)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247673365 388668640 /nfs/dbraw/zinc/66/86/40/388668640.db2.gz YWCIIBJJNZHWAI-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP COC[C@H](C)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247673365 388668643 /nfs/dbraw/zinc/66/86/43/388668643.db2.gz YWCIIBJJNZHWAI-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C(C)C)[C@@H](C)C1 ZINC000247977827 388671710 /nfs/dbraw/zinc/67/17/10/388671710.db2.gz LNZCAAJHTOVZHE-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248154198 388674491 /nfs/dbraw/zinc/67/44/91/388674491.db2.gz RECAQBROWPGEJY-WZRBSPASSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248154198 388674494 /nfs/dbraw/zinc/67/44/94/388674494.db2.gz RECAQBROWPGEJY-WZRBSPASSA-N 2 1 210.365 2.247 20 0 BEADMP CCN1CCC([N@@H+](C)CC2(C)CC2)CC1 ZINC000522055478 388676309 /nfs/dbraw/zinc/67/63/09/388676309.db2.gz PVHRZNQZFXEUQE-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP CC[NH+]1CCC([N@H+](C)CC2(C)CC2)CC1 ZINC000522055478 388676312 /nfs/dbraw/zinc/67/63/12/388676312.db2.gz PVHRZNQZFXEUQE-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)CC2(C)CC2)CC1 ZINC000522055478 388676314 /nfs/dbraw/zinc/67/63/14/388676314.db2.gz PVHRZNQZFXEUQE-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248374788 388677396 /nfs/dbraw/zinc/67/73/96/388677396.db2.gz UCQYOHNOAKDWQR-XQQFMLRXSA-N 2 1 210.365 2.201 20 0 BEADMP CC[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248374788 388677398 /nfs/dbraw/zinc/67/73/98/388677398.db2.gz UCQYOHNOAKDWQR-XQQFMLRXSA-N 2 1 210.365 2.201 20 0 BEADMP CC[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248374788 388677400 /nfs/dbraw/zinc/67/74/00/388677400.db2.gz UCQYOHNOAKDWQR-XQQFMLRXSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCCO2)CC[N@H+]1C ZINC000248415648 388677629 /nfs/dbraw/zinc/67/76/29/388677629.db2.gz OLSMRPWOAZGNDL-MGPQQGTHSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@](C[NH3+])([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC000530206623 388626696 /nfs/dbraw/zinc/62/66/96/388626696.db2.gz AYVKKZVUEFZRNY-CYBMUJFWSA-N 2 1 210.365 2.140 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@H]1CC=CCC1 ZINC000530221845 388632969 /nfs/dbraw/zinc/63/29/69/388632969.db2.gz YPLWBVOGJIRORB-HZSPNIEDSA-N 2 1 222.376 2.320 20 0 BEADMP CC1(C)CC(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000530223922 388634545 /nfs/dbraw/zinc/63/45/45/388634545.db2.gz IXZSQOAVQVNLET-OAHLLOKOSA-N 2 1 236.403 2.498 20 0 BEADMP COCC[C@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000246856145 388653883 /nfs/dbraw/zinc/65/38/83/388653883.db2.gz CTOXVWXNDSBLDW-MELADBBJSA-N 2 1 242.407 2.121 20 0 BEADMP COCC[C@H](C)[NH2+]C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000246856145 388653884 /nfs/dbraw/zinc/65/38/84/388653884.db2.gz CTOXVWXNDSBLDW-MELADBBJSA-N 2 1 242.407 2.121 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCSC)[C@@H](C)C1 ZINC000223738209 388658336 /nfs/dbraw/zinc/65/83/36/388658336.db2.gz YGWJQASXJPGHBT-QWHCGFSZSA-N 2 1 244.448 2.450 20 0 BEADMP Cc1ccnc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c1 ZINC000552043847 388663671 /nfs/dbraw/zinc/66/36/71/388663671.db2.gz DCEVBWWEORKLGL-UONOGXRCSA-N 2 1 247.386 2.382 20 0 BEADMP Cc1ccnc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000552043847 388663672 /nfs/dbraw/zinc/66/36/72/388663672.db2.gz DCEVBWWEORKLGL-UONOGXRCSA-N 2 1 247.386 2.382 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000251567897 388749580 /nfs/dbraw/zinc/74/95/80/388749580.db2.gz AOKZPQDHUQWSSE-VOAKCMCISA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000251567897 388749582 /nfs/dbraw/zinc/74/95/82/388749582.db2.gz AOKZPQDHUQWSSE-VOAKCMCISA-N 2 1 210.365 2.247 20 0 BEADMP Cc1cc(NCCC[NH+]2CCCCC2)nc(C)[nH+]1 ZINC000193095313 388755995 /nfs/dbraw/zinc/75/59/95/388755995.db2.gz AWOFTHQPZRKCFD-UHFFFAOYSA-N 2 1 248.374 2.381 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000252180560 388761358 /nfs/dbraw/zinc/76/13/58/388761358.db2.gz PYOKJFOPPONBTB-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP CCC(CC)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252708761 388772284 /nfs/dbraw/zinc/77/22/84/388772284.db2.gz BAQNCAXKNZVKOY-YPMHNXCESA-N 2 1 212.381 2.352 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCSC2)[C@@H](C)C1 ZINC000252715723 388775373 /nfs/dbraw/zinc/77/53/73/388775373.db2.gz WNFLRZDMGZDMGC-AVGNSLFASA-N 2 1 242.432 2.202 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000228988291 388778437 /nfs/dbraw/zinc/77/84/37/388778437.db2.gz ISLWBCJGLUPLAK-AAEUAGOBSA-N 2 1 212.381 2.339 20 0 BEADMP CCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000230676184 388829619 /nfs/dbraw/zinc/82/96/19/388829619.db2.gz DLEFOXAYHPBHOM-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccncc1 ZINC000129579876 388854224 /nfs/dbraw/zinc/85/42/24/388854224.db2.gz XCCKNVBNJITRAZ-OBJOEFQTSA-N 2 1 233.359 2.215 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccncc1 ZINC000129579876 388854227 /nfs/dbraw/zinc/85/42/27/388854227.db2.gz XCCKNVBNJITRAZ-OBJOEFQTSA-N 2 1 233.359 2.215 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccncc1 ZINC000129579222 388854263 /nfs/dbraw/zinc/85/42/63/388854263.db2.gz XCCKNVBNJITRAZ-MBNYWOFBSA-N 2 1 233.359 2.215 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccncc1 ZINC000129579222 388854266 /nfs/dbraw/zinc/85/42/66/388854266.db2.gz XCCKNVBNJITRAZ-MBNYWOFBSA-N 2 1 233.359 2.215 20 0 BEADMP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000232675954 388856688 /nfs/dbraw/zinc/85/66/88/388856688.db2.gz UVLUOUFJFLXCGS-RYUDHWBXSA-N 2 1 236.359 2.472 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2C)C1 ZINC000556155984 388869284 /nfs/dbraw/zinc/86/92/84/388869284.db2.gz WXAYMNNGGWADEI-AWEZNQCLSA-N 2 1 247.386 2.212 20 0 BEADMP C[C@H](Cc1ccsc1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000565762722 388967623 /nfs/dbraw/zinc/96/76/23/388967623.db2.gz FLKNQOKCUKQFPL-BXKDBHETSA-N 2 1 224.373 2.006 20 0 BEADMP CC[NH2+]CCC[NH2+][C@@H]1CCCc2occc21 ZINC000566088006 388986397 /nfs/dbraw/zinc/98/63/97/388986397.db2.gz KHXOVJQFBBOAHM-GFCCVEGCSA-N 2 1 222.332 2.246 20 0 BEADMP COCCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300408601 533233222 /nfs/dbraw/zinc/23/32/22/533233222.db2.gz CAOAORRTKFXVRY-KGLIPLIRSA-N 2 1 240.391 2.020 20 0 BEADMP C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)C1CCCC1 ZINC000261569371 533365638 /nfs/dbraw/zinc/36/56/38/533365638.db2.gz GFOFSMRPBNKKLV-CQSZACIVSA-N 2 1 222.376 2.252 20 0 BEADMP Cc1cc(N2CC[N@H+]3CCCC[C@H]3C2)cc[nH+]1 ZINC000274311100 132202937 /nfs/dbraw/zinc/20/29/37/132202937.db2.gz AVFJETPMUFKXMH-AWEZNQCLSA-N 2 1 231.343 2.065 20 0 BEADMP C[NH2+]CCC1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000070190120 132230390 /nfs/dbraw/zinc/23/03/90/132230390.db2.gz PSSOOGVXHGIJEO-UHFFFAOYSA-N 2 1 233.359 2.216 20 0 BEADMP c1c[nH+]c(C2CC[NH+](Cc3cncs3)CC2)[nH]1 ZINC000335944337 134019134 /nfs/dbraw/zinc/01/91/34/134019134.db2.gz IJCJQQNPZYRBFF-UHFFFAOYSA-N 2 1 248.355 2.246 20 0 BEADMP Cc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1F ZINC000336053436 134060949 /nfs/dbraw/zinc/06/09/49/134060949.db2.gz WUFKVHROYQXYFO-UHFFFAOYSA-N 2 1 236.334 2.318 20 0 BEADMP Cc1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1F ZINC000336053436 134060950 /nfs/dbraw/zinc/06/09/50/134060950.db2.gz WUFKVHROYQXYFO-UHFFFAOYSA-N 2 1 236.334 2.318 20 0 BEADMP C[C@H]1CC[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1 ZINC000336054444 134065878 /nfs/dbraw/zinc/06/58/78/134065878.db2.gz AURFSMYCRYCJHB-DZGCQCFKSA-N 2 1 236.403 2.498 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000167596483 134118756 /nfs/dbraw/zinc/11/87/56/134118756.db2.gz CNHUWTXKMZMZPT-CMPLNLGQSA-N 2 1 238.400 2.473 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000168510419 134225066 /nfs/dbraw/zinc/22/50/66/134225066.db2.gz BBLMGAFLDVWLFC-MQYQWHSLSA-N 2 1 224.392 2.482 20 0 BEADMP Cc1cccc(C[N@@H+]2CCC[C@@H]2CN)c1C ZINC000168796580 134247947 /nfs/dbraw/zinc/24/79/47/134247947.db2.gz DVEYVMXXWHCZJB-CQSZACIVSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1cccc(C[N@H+]2CCC[C@@H]2CN)c1C ZINC000168796580 134247948 /nfs/dbraw/zinc/24/79/48/134247948.db2.gz DVEYVMXXWHCZJB-CQSZACIVSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1cccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c1C ZINC000168796580 134247949 /nfs/dbraw/zinc/24/79/49/134247949.db2.gz DVEYVMXXWHCZJB-CQSZACIVSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1cccc(C[N@H+]2CCC[C@@H]2C[NH3+])c1C ZINC000168796580 134247950 /nfs/dbraw/zinc/24/79/50/134247950.db2.gz DVEYVMXXWHCZJB-CQSZACIVSA-N 2 1 218.344 2.227 20 0 BEADMP C[C@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000217529700 134248426 /nfs/dbraw/zinc/24/84/26/134248426.db2.gz QIKLPOPRTBEGTO-KGLIPLIRSA-N 2 1 232.371 2.461 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+]1CC1CCC(C)CC1 ZINC000169225440 134250058 /nfs/dbraw/zinc/25/00/58/134250058.db2.gz BCIBQSPLVWXDLI-JXQTWKCFSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H](CC[NH3+])[NH2+]Cc1cccc(Cl)c1F ZINC000220491611 134305160 /nfs/dbraw/zinc/30/51/60/134305160.db2.gz QMGZQJWGRRGVAQ-QMMMGPOBSA-N 2 1 230.714 2.306 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)C1 ZINC000220396980 134306444 /nfs/dbraw/zinc/30/64/44/134306444.db2.gz GXQFRDSJRVWWGQ-CBBWQLFWSA-N 2 1 236.403 2.497 20 0 BEADMP CCC[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178975668 134314234 /nfs/dbraw/zinc/31/42/34/134314234.db2.gz MIBSUYYMMUNVBV-ZDUSSCGKSA-N 2 1 224.392 2.498 20 0 BEADMP CC[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000179308492 134319967 /nfs/dbraw/zinc/31/99/67/134319967.db2.gz UNGXMUVTHPFJPF-NSHDSACASA-N 2 1 209.337 2.312 20 0 BEADMP CC[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000179308492 134319968 /nfs/dbraw/zinc/31/99/68/134319968.db2.gz UNGXMUVTHPFJPF-NSHDSACASA-N 2 1 209.337 2.312 20 0 BEADMP CO[C@H](C)[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000221817688 134328054 /nfs/dbraw/zinc/32/80/54/134328054.db2.gz IJROWCHYEGUBNK-BFHYXJOUSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC=CCC1 ZINC000222092481 134329100 /nfs/dbraw/zinc/32/91/00/134329100.db2.gz JBPTWSKNXNWMFB-UPJWGTAASA-N 2 1 208.349 2.025 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CC=CCC1 ZINC000222092481 134329101 /nfs/dbraw/zinc/32/91/01/134329101.db2.gz JBPTWSKNXNWMFB-UPJWGTAASA-N 2 1 208.349 2.025 20 0 BEADMP CCC[N@H+](CC)CC[NH2+]CC(C)(C)C ZINC000223236425 134338098 /nfs/dbraw/zinc/33/80/98/134338098.db2.gz XAXVWWKIKVGQKM-UHFFFAOYSA-N 2 1 200.370 2.354 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+]CC(C)(C)C ZINC000223236425 134338099 /nfs/dbraw/zinc/33/80/99/134338099.db2.gz XAXVWWKIKVGQKM-UHFFFAOYSA-N 2 1 200.370 2.354 20 0 BEADMP CSCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000225980139 134358122 /nfs/dbraw/zinc/35/81/22/134358122.db2.gz IFWHOFPJBVBQDS-QJPTWQEYSA-N 2 1 230.421 2.058 20 0 BEADMP CS[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000226323780 134360161 /nfs/dbraw/zinc/36/01/61/134360161.db2.gz XQFAGWLHJYCZSJ-OLZOCXBDSA-N 2 1 242.432 2.344 20 0 BEADMP CC[C@H](Cc1ccccc1)[N@@H+](C)CCC[NH3+] ZINC000227741968 134392062 /nfs/dbraw/zinc/39/20/62/134392062.db2.gz UUTKJNGQGLJZHU-CQSZACIVSA-N 2 1 220.360 2.288 20 0 BEADMP CC[N@H+]1CCC[C@H]1CNc1cc[nH+]cc1C ZINC000070046754 134907160 /nfs/dbraw/zinc/90/71/60/134907160.db2.gz HMNLWQLWPMHUQS-LBPRGKRZSA-N 2 1 219.332 2.286 20 0 BEADMP CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000070643029 135000640 /nfs/dbraw/zinc/00/06/40/135000640.db2.gz XSMQHIPNBGAFGC-YPMHNXCESA-N 2 1 210.365 2.249 20 0 BEADMP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000251777184 135078023 /nfs/dbraw/zinc/07/80/23/135078023.db2.gz FILYVAHYYKAPHM-ZOBORPQBSA-N 2 1 240.391 2.016 20 0 BEADMP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000251777184 135078025 /nfs/dbraw/zinc/07/80/25/135078025.db2.gz FILYVAHYYKAPHM-ZOBORPQBSA-N 2 1 240.391 2.016 20 0 BEADMP COc1cccc([C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000251889673 135080751 /nfs/dbraw/zinc/08/07/51/135080751.db2.gz VKZRCAVKEOWNQG-TYNCELHUSA-N 2 1 248.370 2.425 20 0 BEADMP CC[C@H](C)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000252018431 135082946 /nfs/dbraw/zinc/08/29/46/135082946.db2.gz WYOVUARAIRKMQA-ACJTYDJDSA-N 2 1 210.365 2.247 20 0 BEADMP CCC(CC)[N@@H+](CCOCC[NH3+])CC(C)C ZINC000086453693 135085245 /nfs/dbraw/zinc/08/52/45/135085245.db2.gz ALGNIONGKBJKIN-UHFFFAOYSA-N 2 1 230.396 2.108 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000252167658 135085928 /nfs/dbraw/zinc/08/59/28/135085928.db2.gz QRTSFKYXOJNPDP-IMRBUKKESA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000252181253 135086065 /nfs/dbraw/zinc/08/60/65/135086065.db2.gz QBNWHYTVCMRRRZ-AGIUHOORSA-N 2 1 210.365 2.154 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1(C)CC1 ZINC000252179188 135086150 /nfs/dbraw/zinc/08/61/50/135086150.db2.gz SPKMFAIYGKRKCY-UTUOFQBUSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1(C)CC1 ZINC000252179188 135086151 /nfs/dbraw/zinc/08/61/51/135086151.db2.gz SPKMFAIYGKRKCY-UTUOFQBUSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C[C@@H](C)C1 ZINC000252201540 135086337 /nfs/dbraw/zinc/08/63/37/135086337.db2.gz WJKHEONFQBJHMO-XQHKEYJVSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000252207442 135086930 /nfs/dbraw/zinc/08/69/30/135086930.db2.gz VKJTUBXRAAFNRQ-YRGRVCCFSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000252513101 135092141 /nfs/dbraw/zinc/09/21/41/135092141.db2.gz KJSPOLHLNADXMV-NDBYEHHHSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000252513101 135092142 /nfs/dbraw/zinc/09/21/42/135092142.db2.gz KJSPOLHLNADXMV-NDBYEHHHSA-N 2 1 210.365 2.247 20 0 BEADMP Cc1ccsc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000086701683 135094200 /nfs/dbraw/zinc/09/42/00/135094200.db2.gz QVXOVMJXWVAYQQ-UHFFFAOYSA-N 2 1 238.400 2.488 20 0 BEADMP C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000086730290 135096009 /nfs/dbraw/zinc/09/60/09/135096009.db2.gz CUXNURRAYIXTJP-JHJVBQTASA-N 2 1 210.365 2.154 20 0 BEADMP C[NH2+]C[C@@H]1CCCN(c2cc[nH+]cc2Cl)C1 ZINC000086839726 135097315 /nfs/dbraw/zinc/09/73/15/135097315.db2.gz CMETWDXWUOPEEP-JTQLQIEISA-N 2 1 239.750 2.171 20 0 BEADMP Clc1c[nH+]ccc1NCC[C@H]1CC[NH2+]C1 ZINC000086839933 135097896 /nfs/dbraw/zinc/09/78/96/135097896.db2.gz NXPSERBTYQOUHI-SECBINFHSA-N 2 1 225.723 2.147 20 0 BEADMP [NH3+]C[C@@H]1CCC[C@@H]1Nc1cc[nH+]cc1Cl ZINC000086840121 135098584 /nfs/dbraw/zinc/09/85/84/135098584.db2.gz UDZUFQMNSZBVSU-WPRPVWTQSA-N 2 1 225.723 2.274 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CC=CCC1 ZINC000252729950 135103730 /nfs/dbraw/zinc/10/37/30/135103730.db2.gz JBPTWSKNXNWMFB-FRRDWIJNSA-N 2 1 208.349 2.025 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CC=CCC1 ZINC000252729950 135103732 /nfs/dbraw/zinc/10/37/32/135103732.db2.gz JBPTWSKNXNWMFB-FRRDWIJNSA-N 2 1 208.349 2.025 20 0 BEADMP CC1CC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000252733124 135105116 /nfs/dbraw/zinc/10/51/16/135105116.db2.gz YACIYMGCMGWNQR-MVKMKZAISA-N 2 1 208.349 2.001 20 0 BEADMP CC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252875211 135115503 /nfs/dbraw/zinc/11/55/03/135115503.db2.gz VOJJTLOLMKSIDR-CYDGBPFRSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccsc1 ZINC000252888908 135116184 /nfs/dbraw/zinc/11/61/84/135116184.db2.gz BYFHNPHPLUQZHS-CMPLNLGQSA-N 2 1 224.373 2.178 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccsc1 ZINC000252888908 135116185 /nfs/dbraw/zinc/11/61/85/135116185.db2.gz BYFHNPHPLUQZHS-CMPLNLGQSA-N 2 1 224.373 2.178 20 0 BEADMP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000252895689 135116746 /nfs/dbraw/zinc/11/67/46/135116746.db2.gz ZGYKOAUGHLRSPA-IUODEOHRSA-N 2 1 248.370 2.125 20 0 BEADMP C[NH2+]C1CC[NH+](Cc2sccc2C)CC1 ZINC000087310873 135123762 /nfs/dbraw/zinc/12/37/62/135123762.db2.gz UPEZRCWFCBCLKH-UHFFFAOYSA-N 2 1 224.373 2.240 20 0 BEADMP C[C@@H]1CC[N@@H+](CCC(C)(C)C)C[C@H]1C[NH3+] ZINC000253246654 135125478 /nfs/dbraw/zinc/12/54/78/135125478.db2.gz SBIHQKKKMLLHFJ-VXGBXAGGSA-N 2 1 212.381 2.339 20 0 BEADMP Cc1ccsc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000258748565 135134000 /nfs/dbraw/zinc/13/40/00/135134000.db2.gz ACCZTTQNTQRXLG-ZJUUUORDSA-N 2 1 210.346 2.026 20 0 BEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000258944832 135136035 /nfs/dbraw/zinc/13/60/35/135136035.db2.gz KEHNPCXDVOZHNT-NWDGAFQWSA-N 2 1 224.735 2.309 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257641471 135137706 /nfs/dbraw/zinc/13/77/06/135137706.db2.gz BAOVWNMCWOKAGQ-ZDUSSCGKSA-N 2 1 210.365 2.108 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1F ZINC000257711081 135140685 /nfs/dbraw/zinc/14/06/85/135140685.db2.gz SVQYDOLNDDVRGO-OAHLLOKOSA-N 2 1 248.345 2.320 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1F ZINC000257711081 135140686 /nfs/dbraw/zinc/14/06/86/135140686.db2.gz SVQYDOLNDDVRGO-OAHLLOKOSA-N 2 1 248.345 2.320 20 0 BEADMP Cc1ccc(CC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000257721869 135141119 /nfs/dbraw/zinc/14/11/19/135141119.db2.gz VSKIHEXWDNBXNH-MRXNPFEDSA-N 2 1 244.382 2.223 20 0 BEADMP CC(C)(C)[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000257769295 135141533 /nfs/dbraw/zinc/14/15/33/135141533.db2.gz HCZOXZOSZOAYBD-CYBMUJFWSA-N 2 1 224.392 2.497 20 0 BEADMP CC1(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000261531916 135161724 /nfs/dbraw/zinc/16/17/24/135161724.db2.gz IJQBLDKNNYNZRC-NEPJUHHUSA-N 2 1 208.349 2.003 20 0 BEADMP CC1(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000261531916 135161725 /nfs/dbraw/zinc/16/17/25/135161725.db2.gz IJQBLDKNNYNZRC-NEPJUHHUSA-N 2 1 208.349 2.003 20 0 BEADMP C[C@H]1C[N@@H+](C[C@H]2CCC[C@@H](C)C2)C[C@@H]1[NH3+] ZINC000261531842 135162028 /nfs/dbraw/zinc/16/20/28/135162028.db2.gz IALMBPNPHJGOON-VOAKCMCISA-N 2 1 210.365 2.092 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C)[C@@H](C)C2)CC[NH2+]1 ZINC000261532389 135162449 /nfs/dbraw/zinc/16/24/49/135162449.db2.gz ARXCWQRKBJWRAI-IGQOVBAYSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C)[C@H](C)C2)CC[NH2+]1 ZINC000261532390 135162614 /nfs/dbraw/zinc/16/26/14/135162614.db2.gz ARXCWQRKBJWRAI-REWJHTLYSA-N 2 1 224.392 2.352 20 0 BEADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCC(C)(C)C1 ZINC000261534481 135167001 /nfs/dbraw/zinc/16/70/01/135167001.db2.gz RDPKKIHJHGFTRL-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000261534737 135167542 /nfs/dbraw/zinc/16/75/42/135167542.db2.gz TYIMXBXKLXKSEE-XJFOESAGSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCS[C@H](C)[C@H]2C)CC[NH2+]1 ZINC000261534770 135168008 /nfs/dbraw/zinc/16/80/08/135168008.db2.gz UCIVMCQTDWUCME-FDYHWXHSSA-N 2 1 242.432 2.200 20 0 BEADMP C[C@H]1[C@H]([NH3+])CC[N@H+]1CC1CCCCCC1 ZINC000261534856 135168407 /nfs/dbraw/zinc/16/84/07/135168407.db2.gz NFHFCLSXMCWUMF-WCQYABFASA-N 2 1 210.365 2.378 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CC1CCCCCC1 ZINC000261534854 135168474 /nfs/dbraw/zinc/16/84/74/135168474.db2.gz NFHFCLSXMCWUMF-AAEUAGOBSA-N 2 1 210.365 2.378 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000261535801 135170709 /nfs/dbraw/zinc/17/07/09/135170709.db2.gz PGAKKJXSOOJLNE-CYBMUJFWSA-N 2 1 210.365 2.237 20 0 BEADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cccc(F)c1 ZINC000261536163 135171488 /nfs/dbraw/zinc/17/14/88/135171488.db2.gz QPFGKIXCYPFLIM-SECBINFHSA-N 2 1 210.296 2.214 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+]1CCC1CCCC1 ZINC000261536627 135172122 /nfs/dbraw/zinc/17/21/22/135172122.db2.gz SFGRKPPZYCEDBS-CYBMUJFWSA-N 2 1 210.365 2.251 20 0 BEADMP CC(C)(C)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261537102 135172803 /nfs/dbraw/zinc/17/28/03/135172803.db2.gz UWSOULUHYKMPJQ-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000261536967 135173092 /nfs/dbraw/zinc/17/30/92/135173092.db2.gz UJVVCECLNZAVRX-WCBMZHEXSA-N 2 1 244.791 2.489 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000261538898 135176793 /nfs/dbraw/zinc/17/67/93/135176793.db2.gz ZSWPITWONYNDLQ-SRVKXCTJSA-N 2 1 206.333 2.381 20 0 BEADMP C[C@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1[NH3+] ZINC000261538931 135176978 /nfs/dbraw/zinc/17/69/78/135176978.db2.gz ZVRBWVXUAJALGW-WCQYABFASA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1[NH3+] ZINC000261538930 135177266 /nfs/dbraw/zinc/17/72/66/135177266.db2.gz ZVRBWVXUAJALGW-DGCLKSJQSA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261539802 135178944 /nfs/dbraw/zinc/17/89/44/135178944.db2.gz DEPZGYNZQVWNCI-YNEHKIRRSA-N 2 1 210.365 2.106 20 0 BEADMP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000261542162 135182693 /nfs/dbraw/zinc/18/26/93/135182693.db2.gz BWNRPYWBTSMEOR-LSDHHAIUSA-N 2 1 236.403 2.498 20 0 BEADMP CC[N@H+](CCc1cccs1)CC(C)(C)[NH3+] ZINC000261543439 135184075 /nfs/dbraw/zinc/18/40/75/135184075.db2.gz HUBBQXAWNQJUHJ-UHFFFAOYSA-N 2 1 226.389 2.350 20 0 BEADMP CC[N@@H+](CCc1cccs1)CC(C)(C)[NH3+] ZINC000261543439 135184077 /nfs/dbraw/zinc/18/40/77/135184077.db2.gz HUBBQXAWNQJUHJ-UHFFFAOYSA-N 2 1 226.389 2.350 20 0 BEADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)C(C)(C)C1 ZINC000261548690 135187475 /nfs/dbraw/zinc/18/74/75/135187475.db2.gz NVYXZAZJANVJMD-LLVKDONJSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC000261549145 135187593 /nfs/dbraw/zinc/18/75/93/135187593.db2.gz OGHKUTZUFXUHPX-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1ncsc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000084149530 135188009 /nfs/dbraw/zinc/18/80/09/135188009.db2.gz GGRNWYUNUNONBA-NSHDSACASA-N 2 1 239.388 2.155 20 0 BEADMP CCC(C)(C)CC[N@@H+](C)C1CC[NH2+]CC1 ZINC000261550590 135188886 /nfs/dbraw/zinc/18/88/86/135188886.db2.gz PPQRFCXCDFBLOU-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000261550304 135189109 /nfs/dbraw/zinc/18/91/09/135189109.db2.gz LFBBLGRGEMITCM-BARDWOONSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000261550304 135189111 /nfs/dbraw/zinc/18/91/11/135189111.db2.gz LFBBLGRGEMITCM-BARDWOONSA-N 2 1 236.403 2.497 20 0 BEADMP CC1CCC(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000261550948 135190331 /nfs/dbraw/zinc/19/03/31/135190331.db2.gz LQDLKCGVTBUCIF-HGSUQPQSSA-N 2 1 236.403 2.482 20 0 BEADMP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC000261550985 135190410 /nfs/dbraw/zinc/19/04/10/135190410.db2.gz LRQUZASCMFDBTJ-BARDWOONSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+](C)C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261552338 135191129 /nfs/dbraw/zinc/19/11/29/135191129.db2.gz RDFBAFBXKNMERM-AGIUHOORSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+](C)C[C@]2(C)CC[NH2+]C2)C1 ZINC000261552339 135191242 /nfs/dbraw/zinc/19/12/42/135191242.db2.gz RDFBAFBXKNMERM-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1C ZINC000261553060 135191947 /nfs/dbraw/zinc/19/19/47/135191947.db2.gz ABOOVRFOPLPRTJ-HOTGVXAUSA-N 2 1 244.382 2.487 20 0 BEADMP C(C1CC[NH2+]CC1)[N@H+]1CCCC12CCC2 ZINC000261552853 135192249 /nfs/dbraw/zinc/19/22/49/135192249.db2.gz RYCGRFDMNUQVOL-UHFFFAOYSA-N 2 1 208.349 2.005 20 0 BEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000261553577 135192590 /nfs/dbraw/zinc/19/25/90/135192590.db2.gz OAUXYOBPOOQDSX-RAIGVLPGSA-N 2 1 234.343 2.245 20 0 BEADMP C[C@H](C[N@H+]1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000261553592 135192864 /nfs/dbraw/zinc/19/28/64/135192864.db2.gz OBNHSEOTJIGQMB-HIFRSBDPSA-N 2 1 232.371 2.461 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261554050 135193499 /nfs/dbraw/zinc/19/34/99/135193499.db2.gz AOXVSQNJHNTAEQ-GDBMZVCRSA-N 2 1 244.382 2.290 20 0 BEADMP Cc1ccc(F)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261554340 135193713 /nfs/dbraw/zinc/19/37/13/135193713.db2.gz ATVSFKSVLHOLPF-JSGCOSHPSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1ccc(F)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261554340 135193715 /nfs/dbraw/zinc/19/37/15/135193715.db2.gz ATVSFKSVLHOLPF-JSGCOSHPSA-N 2 1 248.345 2.175 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCC1CC[NH2+]CC1 ZINC000261554130 135193744 /nfs/dbraw/zinc/19/37/44/135193744.db2.gz TXQNZAIQLMWEPL-TXEJJXNPSA-N 2 1 210.365 2.249 20 0 BEADMP Cc1ncccc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000261555231 135194971 /nfs/dbraw/zinc/19/49/71/135194971.db2.gz PNPYHRSLIVLPQN-AWEZNQCLSA-N 2 1 233.359 2.093 20 0 BEADMP CC[C@H]1CCC[C@@H](C[N@H+]2CC[C@@H](N)C2)C1 ZINC000261555772 135195111 /nfs/dbraw/zinc/19/51/11/135195111.db2.gz VGSDJIONGWUPKW-YNEHKIRRSA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@H]1CCC[C@@H](C[N@@H+]2CC[C@@H]([NH3+])C2)C1 ZINC000261555772 135195114 /nfs/dbraw/zinc/19/51/14/135195114.db2.gz VGSDJIONGWUPKW-YNEHKIRRSA-N 2 1 210.365 2.236 20 0 BEADMP CC[N@H+](Cc1ccccn1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261555996 135195944 /nfs/dbraw/zinc/19/59/44/135195944.db2.gz BTXUGWRIYUOHEO-ZIAGYGMSSA-N 2 1 247.386 2.292 20 0 BEADMP COc1ccccc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000261555998 135196241 /nfs/dbraw/zinc/19/62/41/135196241.db2.gz BUAQUIJFJIVEFP-AWEZNQCLSA-N 2 1 248.370 2.173 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261556907 135197109 /nfs/dbraw/zinc/19/71/09/135197109.db2.gz CFRTWQJWHXLSGL-BPUTZDHNSA-N 2 1 244.382 2.473 20 0 BEADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000261558462 135199465 /nfs/dbraw/zinc/19/94/65/135199465.db2.gz SLNQRXWESAVHCL-ZANVPECISA-N 2 1 240.297 2.052 20 0 BEADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(C)(C)[NH3+])C1 ZINC000261560080 135201087 /nfs/dbraw/zinc/20/10/87/135201087.db2.gz ZNJAYPDIJYZKSN-GHMZBOCLSA-N 2 1 230.421 2.330 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000261560151 135201135 /nfs/dbraw/zinc/20/11/35/135201135.db2.gz UFZXTCGQTKOVBL-QLFBSQMISA-N 2 1 236.403 2.498 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261561385 135202868 /nfs/dbraw/zinc/20/28/68/135202868.db2.gz VHFYVHGZICLGLM-LSDHHAIUSA-N 2 1 230.355 2.036 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)s1 ZINC000261562338 135203505 /nfs/dbraw/zinc/20/35/05/135203505.db2.gz BFRHYRMGELWQRP-AAEUAGOBSA-N 2 1 236.384 2.240 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)s1 ZINC000261562338 135203506 /nfs/dbraw/zinc/20/35/06/135203506.db2.gz BFRHYRMGELWQRP-AAEUAGOBSA-N 2 1 236.384 2.240 20 0 BEADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])c1 ZINC000261562566 135204791 /nfs/dbraw/zinc/20/47/91/135204791.db2.gz GMVJIAGOCANKOA-MXWKQRLJSA-N 2 1 249.358 2.031 20 0 BEADMP C[C@H](c1ccccc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261562948 135205380 /nfs/dbraw/zinc/20/53/80/135205380.db2.gz WSZJTFIYZKVUHL-UQOMUDLDSA-N 2 1 230.355 2.417 20 0 BEADMP [NH3+]CC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000261569713 135211333 /nfs/dbraw/zinc/21/13/33/135211333.db2.gz GLTMEOZJFNNRMI-CYBMUJFWSA-N 2 1 204.317 2.076 20 0 BEADMP Cc1cccc(OCC[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000261569773 135212250 /nfs/dbraw/zinc/21/22/50/135212250.db2.gz KAKIRISKHGLNAC-OAHLLOKOSA-N 2 1 248.370 2.045 20 0 BEADMP CC[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCS1 ZINC000164179408 135214298 /nfs/dbraw/zinc/21/42/98/135214298.db2.gz AOSMSEJPAJJCTA-STQMWFEESA-N 2 1 242.432 2.204 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261574272 135215696 /nfs/dbraw/zinc/21/56/96/135215696.db2.gz MQROYXJMEJMJKV-HOCLYGCPSA-N 2 1 244.382 2.487 20 0 BEADMP Cc1ccsc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261575054 135216660 /nfs/dbraw/zinc/21/66/60/135216660.db2.gz JOKGIOXCQFFCGS-SDDRHHMPSA-N 2 1 236.384 2.226 20 0 BEADMP Cc1ccsc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261575057 135216802 /nfs/dbraw/zinc/21/68/02/135216802.db2.gz JOKGIOXCQFFCGS-TUAOUCFPSA-N 2 1 236.384 2.226 20 0 BEADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC1CCCC1 ZINC000084385916 135217988 /nfs/dbraw/zinc/21/79/88/135217988.db2.gz MTLUKQHIZMXGGE-LBPRGKRZSA-N 2 1 210.365 2.108 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261578037 135218959 /nfs/dbraw/zinc/21/89/59/135218959.db2.gz OSDXXPLPHGBHPI-WFASDCNBSA-N 2 1 248.345 2.318 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261578037 135218960 /nfs/dbraw/zinc/21/89/60/135218960.db2.gz OSDXXPLPHGBHPI-WFASDCNBSA-N 2 1 248.345 2.318 20 0 BEADMP CC1(C[N@H+]2CCC3(C2)CC[NH2+]CC3)CCC1 ZINC000261579596 135220567 /nfs/dbraw/zinc/22/05/67/135220567.db2.gz MJPSIXDFZFDUOD-UHFFFAOYSA-N 2 1 222.376 2.252 20 0 BEADMP C[NH2+]C1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000261579419 135221014 /nfs/dbraw/zinc/22/10/14/135221014.db2.gz PMYZJUFALDCIOX-LBPRGKRZSA-N 2 1 248.370 2.440 20 0 BEADMP C[C@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000261581336 135222210 /nfs/dbraw/zinc/22/22/10/135222210.db2.gz QPBQNOXPLLRNRL-VNQPRFMTSA-N 2 1 244.382 2.331 20 0 BEADMP C[C@H](c1ccccc1F)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261582413 135223121 /nfs/dbraw/zinc/22/31/21/135223121.db2.gz REAGFVITWXEQCO-JHJVBQTASA-N 2 1 248.345 2.428 20 0 BEADMP C[C@H](c1ccccc1F)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261582413 135223122 /nfs/dbraw/zinc/22/31/22/135223122.db2.gz REAGFVITWXEQCO-JHJVBQTASA-N 2 1 248.345 2.428 20 0 BEADMP CCOc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261583108 135223912 /nfs/dbraw/zinc/22/39/12/135223912.db2.gz RNQNHBDEPXEVGV-OAHLLOKOSA-N 2 1 248.370 2.256 20 0 BEADMP CCC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164372775 135224627 /nfs/dbraw/zinc/22/46/27/135224627.db2.gz GIJVFFVYVVHYIS-FQUUOJAGSA-N 2 1 224.392 2.482 20 0 BEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCC3CCCC3)C[C@H]12 ZINC000261589701 135230464 /nfs/dbraw/zinc/23/04/64/135230464.db2.gz UCSIQIRFKKDSBG-HZSPNIEDSA-N 2 1 222.376 2.236 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261593518 135234103 /nfs/dbraw/zinc/23/41/03/135234103.db2.gz ZFNACOHVQZINRO-GOEBONIOSA-N 2 1 244.382 2.487 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000261594292 135234415 /nfs/dbraw/zinc/23/44/15/135234415.db2.gz XLNXSOUVPORQIW-JSGCOSHPSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000261594292 135234416 /nfs/dbraw/zinc/23/44/16/135234416.db2.gz XLNXSOUVPORQIW-JSGCOSHPSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000261597505 135237185 /nfs/dbraw/zinc/23/71/85/135237185.db2.gz ZDOLFHVFOUEKDZ-RYUDHWBXSA-N 2 1 236.384 2.098 20 0 BEADMP CCC(C)(C)CC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000261546686 135239172 /nfs/dbraw/zinc/23/91/72/135239172.db2.gz LFOTVAFIHORERU-RYUDHWBXSA-N 2 1 212.381 2.482 20 0 BEADMP CC[C@@H]1[C@H](C)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000261546632 135239189 /nfs/dbraw/zinc/23/91/89/135239189.db2.gz LCGFSXSDRPPVDA-DGCLKSJQSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccccc1F ZINC000261547503 135240258 /nfs/dbraw/zinc/24/02/58/135240258.db2.gz IFVIVCOJUZZXFV-SUNKGSAMSA-N 2 1 236.334 2.474 20 0 BEADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261548187 135242060 /nfs/dbraw/zinc/24/20/60/135242060.db2.gz NHHZWWZUPAFXHY-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261548189 135242120 /nfs/dbraw/zinc/24/21/20/135242120.db2.gz NHHZWWZUPAFXHY-XQQFMLRXSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000261652302 135242833 /nfs/dbraw/zinc/24/28/33/135242833.db2.gz BCXWNZFTRRUMCB-NWDGAFQWSA-N 2 1 236.334 2.210 20 0 BEADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(N)c2)CC[N@@H+]1C ZINC000261613990 135244338 /nfs/dbraw/zinc/24/43/38/135244338.db2.gz APCUMVYQUZTZOP-IUODEOHRSA-N 2 1 247.386 2.183 20 0 BEADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(N)c2)CC[N@H+]1C ZINC000261613990 135244339 /nfs/dbraw/zinc/24/43/39/135244339.db2.gz APCUMVYQUZTZOP-IUODEOHRSA-N 2 1 247.386 2.183 20 0 BEADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(N)c2)CC[NH+]1C ZINC000261613990 135244340 /nfs/dbraw/zinc/24/43/40/135244340.db2.gz APCUMVYQUZTZOP-IUODEOHRSA-N 2 1 247.386 2.183 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(N)c2)CC[NH+]1C ZINC000261613990 135244341 /nfs/dbraw/zinc/24/43/41/135244341.db2.gz APCUMVYQUZTZOP-IUODEOHRSA-N 2 1 247.386 2.183 20 0 BEADMP [NH3+]C[C@@H]1C[N@@H+](CC2CC2)C[C@H]1c1ccccc1 ZINC000261713578 135247618 /nfs/dbraw/zinc/24/76/18/135247618.db2.gz MTDYJSZWISGLKZ-CABCVRRESA-N 2 1 230.355 2.071 20 0 BEADMP C[C@@H]1CC[C@@]2(CC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)C1 ZINC000261742114 135249218 /nfs/dbraw/zinc/24/92/18/135249218.db2.gz IPYBQJWJXJRRKF-QLFBSQMISA-N 2 1 236.403 2.498 20 0 BEADMP CCC[C@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261758071 135250393 /nfs/dbraw/zinc/25/03/93/135250393.db2.gz KXDZCGZFQXKGMY-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP CCc1cccc(F)c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261770336 135251716 /nfs/dbraw/zinc/25/17/16/135251716.db2.gz DQAQURHUZIJRFF-BETUJISGSA-N 2 1 248.345 2.039 20 0 BEADMP CCc1cccc(F)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261770336 135251718 /nfs/dbraw/zinc/25/17/18/135251718.db2.gz DQAQURHUZIJRFF-BETUJISGSA-N 2 1 248.345 2.039 20 0 BEADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccc1C ZINC000261787630 135252634 /nfs/dbraw/zinc/25/26/34/135252634.db2.gz FYYJGFKQUCXKPM-GXTWGEPZSA-N 2 1 248.370 2.173 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000164419962 135253100 /nfs/dbraw/zinc/25/31/00/135253100.db2.gz KSNKPKQMWILXIB-YNEHKIRRSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1(C)C ZINC000261813357 135255309 /nfs/dbraw/zinc/25/53/09/135255309.db2.gz HVAWEDALHFXRML-STQMWFEESA-N 2 1 224.392 2.354 20 0 BEADMP C[C@]1(C[NH3+])CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000261815868 135255371 /nfs/dbraw/zinc/25/53/71/135255371.db2.gz PCMFQBMUHYHXNT-HUUCEWRRSA-N 2 1 248.345 2.484 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000342293538 135256726 /nfs/dbraw/zinc/25/67/26/135256726.db2.gz GWJBURKIVBFIGD-VXGBXAGGSA-N 2 1 237.322 2.128 20 0 BEADMP C[C@@]1(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)CC[NH2+]C1 ZINC000261878425 135259094 /nfs/dbraw/zinc/25/90/94/135259094.db2.gz QJZOMRMSMUUOLH-ZIAGYGMSSA-N 2 1 233.359 2.151 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)CC12CCC2 ZINC000261917406 135262631 /nfs/dbraw/zinc/26/26/31/135262631.db2.gz ZUHBSANXONROJQ-ZIAGYGMSSA-N 2 1 236.403 2.498 20 0 BEADMP Cc1ccc(C[N@H+](C)C[C@]2(C)CC[NH2+]C2)s1 ZINC000261953954 135265986 /nfs/dbraw/zinc/26/59/86/135265986.db2.gz GJOWFQNWBMPHSI-CYBMUJFWSA-N 2 1 238.400 2.488 20 0 BEADMP CC[C@@H]1CCC[C@H](C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)C1 ZINC000261961717 135267218 /nfs/dbraw/zinc/26/72/18/135267218.db2.gz HJGBMLNDKDXVHO-RFQIPJPRSA-N 2 1 224.392 2.482 20 0 BEADMP CC[N@@H+](Cc1cnccc1C)[C@@H]1CCC[NH2+]CC1 ZINC000261997006 135270285 /nfs/dbraw/zinc/27/02/85/135270285.db2.gz SXUNKAKEWLPHEY-OAHLLOKOSA-N 2 1 247.386 2.354 20 0 BEADMP c1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H]1CC[NH2+]C1 ZINC000262115425 135279860 /nfs/dbraw/zinc/27/98/60/135279860.db2.gz MYNXBCWJKNZZFE-UONOGXRCSA-N 2 1 230.355 2.058 20 0 BEADMP c1c[nH]c([C@H]2CCC[N@H+](C[C@@H]3CCCOC3)C2)n1 ZINC000334223915 135328746 /nfs/dbraw/zinc/32/87/46/135328746.db2.gz AESXHLSOSMVKKD-STQMWFEESA-N 2 1 249.358 2.016 20 0 BEADMP CC(C)(C)CC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299892809 135380675 /nfs/dbraw/zinc/38/06/75/135380675.db2.gz DLYJTMSDLNMXAE-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)(C)CC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299892809 135380676 /nfs/dbraw/zinc/38/06/76/135380676.db2.gz DLYJTMSDLNMXAE-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H](C[N@@H+]1C[C@H]2CCC[NH2+][C@@H]2C1)c1ccccc1 ZINC000299912366 135382535 /nfs/dbraw/zinc/38/25/35/135382535.db2.gz BPEARXPZHJYSQB-FVQBIDKESA-N 2 1 244.382 2.474 20 0 BEADMP C[C@H](C[N@H+]1C[C@H]2CCC[NH2+][C@@H]2C1)c1ccccc1 ZINC000299912366 135382537 /nfs/dbraw/zinc/38/25/37/135382537.db2.gz BPEARXPZHJYSQB-FVQBIDKESA-N 2 1 244.382 2.474 20 0 BEADMP C[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000083390493 135447095 /nfs/dbraw/zinc/44/70/95/135447095.db2.gz STXNALHIBOKMBA-FZMZJTMJSA-N 2 1 222.376 2.391 20 0 BEADMP CC(C)C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000335312710 136030825 /nfs/dbraw/zinc/03/08/25/136030825.db2.gz FGCAWORTECJLEN-STQMWFEESA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000335312710 136030826 /nfs/dbraw/zinc/03/08/26/136030826.db2.gz FGCAWORTECJLEN-STQMWFEESA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000335312710 136030827 /nfs/dbraw/zinc/03/08/27/136030827.db2.gz FGCAWORTECJLEN-STQMWFEESA-N 2 1 210.365 2.059 20 0 BEADMP [NH3+]C[C@H]1CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000335335943 136056039 /nfs/dbraw/zinc/05/60/39/136056039.db2.gz RDSYXZRREBGUHA-YGRLFVJLSA-N 2 1 234.318 2.094 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](F)C2)[C@@H]2CCC[C@@H]21 ZINC000348391217 136076167 /nfs/dbraw/zinc/07/61/67/136076167.db2.gz HUPQOSUVPLTAOD-NDKCEZKHSA-N 2 1 240.366 2.339 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](F)C2)CC1 ZINC000335398669 136093420 /nfs/dbraw/zinc/09/34/20/136093420.db2.gz KBHCYARCAVLZOM-YPMHNXCESA-N 2 1 228.355 2.341 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](F)C2)CC1 ZINC000335398667 136093520 /nfs/dbraw/zinc/09/35/20/136093520.db2.gz KBHCYARCAVLZOM-WCQYABFASA-N 2 1 228.355 2.341 20 0 BEADMP c1csc(C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000335559723 136100693 /nfs/dbraw/zinc/10/06/93/136100693.db2.gz GQSKFINJIZXYJM-UHFFFAOYSA-N 2 1 222.357 2.076 20 0 BEADMP CC(C)([NH3+])C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000335595272 136104735 /nfs/dbraw/zinc/10/47/35/136104735.db2.gz ACOMGAPQOPYWOA-LBPRGKRZSA-N 2 1 234.343 2.097 20 0 BEADMP C[C@@H]1CCC[N@H+](Cc2ccns2)[C@@H]1CC[NH3+] ZINC000405215636 397749301 /nfs/dbraw/zinc/74/93/01/397749301.db2.gz JWAOIBJFRFSWBB-ZYHUDNBSSA-N 2 1 239.388 2.092 20 0 BEADMP C[C@@H]1CCC[N@@H+](Cc2ccns2)[C@@H]1CC[NH3+] ZINC000405215636 397749304 /nfs/dbraw/zinc/74/93/04/397749304.db2.gz JWAOIBJFRFSWBB-ZYHUDNBSSA-N 2 1 239.388 2.092 20 0 BEADMP C[C@H]1C[C@@H](N)C[N@H+]1CCC(C)(C)C1CC1 ZINC000405983524 397777976 /nfs/dbraw/zinc/77/79/76/397777976.db2.gz BJERUDWDKUNUDD-CMPLNLGQSA-N 2 1 210.365 2.234 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCC(C)(C)C1CC1 ZINC000405983524 397777982 /nfs/dbraw/zinc/77/79/82/397777982.db2.gz BJERUDWDKUNUDD-CMPLNLGQSA-N 2 1 210.365 2.234 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCSCC1 ZINC000161585110 397745642 /nfs/dbraw/zinc/74/56/42/397745642.db2.gz NGMYNWHOPGQRMU-WZRBSPASSA-N 2 1 242.432 2.200 20 0 BEADMP Cc1ccncc1CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000269617643 397958290 /nfs/dbraw/zinc/95/82/90/397958290.db2.gz RQIXXATYNYXPEO-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP CSCC[C@H](C)[N@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000156886866 397926199 /nfs/dbraw/zinc/92/61/99/397926199.db2.gz INPGAKYWWZJVDG-RYUDHWBXSA-N 2 1 232.437 2.433 20 0 BEADMP CSCC[C@H](C)[N@@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000156886866 397926204 /nfs/dbraw/zinc/92/62/04/397926204.db2.gz INPGAKYWWZJVDG-RYUDHWBXSA-N 2 1 232.437 2.433 20 0 BEADMP Cc1ccc(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000334141480 397999992 /nfs/dbraw/zinc/99/99/92/397999992.db2.gz HMNOKLIRGOARLQ-HZPDHXFCSA-N 2 1 244.382 2.079 20 0 BEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000414657547 398005858 /nfs/dbraw/zinc/00/58/58/398005858.db2.gz HQYGHMLFZCKXMH-VDERGJSUSA-N 2 1 244.382 2.459 20 0 BEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000414657545 398006008 /nfs/dbraw/zinc/00/60/08/398006008.db2.gz HQYGHMLFZCKXMH-SDADXPQNSA-N 2 1 244.382 2.459 20 0 BEADMP Cc1cncc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c1 ZINC000274577368 398011383 /nfs/dbraw/zinc/01/13/83/398011383.db2.gz IEPXNUYUPBBAPG-STQMWFEESA-N 2 1 235.375 2.381 20 0 BEADMP C[NH+](C)[C@H]1CCC[N@@H+](CCc2ccccn2)CC1 ZINC000277272175 398027299 /nfs/dbraw/zinc/02/72/99/398027299.db2.gz RRFJQCLPCCNSCV-HNNXBMFYSA-N 2 1 247.386 2.040 20 0 BEADMP FC1(F)CCC[N@@H+](CCC2CC[NH2+]CC2)CC1 ZINC000629559228 397970593 /nfs/dbraw/zinc/97/05/93/397970593.db2.gz QQSSLCCVGHDOIJ-UHFFFAOYSA-N 2 1 246.345 2.497 20 0 BEADMP Cc1[nH+]ccn1CCCN1CCCC(F)(F)C1 ZINC000649695156 398043101 /nfs/dbraw/zinc/04/31/01/398043101.db2.gz KBOHLXNDLRVFJN-UHFFFAOYSA-N 2 1 243.301 2.313 20 0 BEADMP CC[C@@H](C)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000093067127 398094234 /nfs/dbraw/zinc/09/42/34/398094234.db2.gz PSIWGHGJVWAULZ-VXGBXAGGSA-N 2 1 223.364 2.463 20 0 BEADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(O)c1)C1CCCCC1 ZINC000414838368 398052913 /nfs/dbraw/zinc/05/29/13/398052913.db2.gz KMNCIYYRKHGRBM-OAHLLOKOSA-N 2 1 248.370 2.389 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccoc2)C1 ZINC000449089324 398058553 /nfs/dbraw/zinc/05/85/53/398058553.db2.gz JWELQWYAMXSTDC-TZMCWYRMSA-N 2 1 236.359 2.142 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000090720443 398111470 /nfs/dbraw/zinc/11/14/70/398111470.db2.gz KJSPOLHLNADXMV-FVCCEPFGSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000090720443 398111472 /nfs/dbraw/zinc/11/14/72/398111472.db2.gz KJSPOLHLNADXMV-FVCCEPFGSA-N 2 1 210.365 2.247 20 0 BEADMP CC(C)Oc1ccc(C[NH2+]CC(C)(C)[NH3+])cc1 ZINC000258871024 322879287 /nfs/dbraw/zinc/87/92/87/322879287.db2.gz PFWQQVWUHVVLAJ-UHFFFAOYSA-N 2 1 236.359 2.301 20 0 BEADMP C[C@H]1C[N@@H+](CCC(C)(C)C2CC2)CC[C@@H]1[NH3+] ZINC000382254331 487535990 /nfs/dbraw/zinc/53/59/90/487535990.db2.gz VVZDTUNYIIWSMK-AAEUAGOBSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H]1C[N@@H+](CCC(C)(C)C2CC2)CC[C@H]1[NH3+] ZINC000382254335 487536025 /nfs/dbraw/zinc/53/60/25/487536025.db2.gz VVZDTUNYIIWSMK-DGCLKSJQSA-N 2 1 224.392 2.482 20 0 BEADMP CO[C@H]1CCC[C@@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C1 ZINC000685662242 487571985 /nfs/dbraw/zinc/57/19/85/487571985.db2.gz XQQSWZJFODXXLU-MCIONIFRSA-N 2 1 242.407 2.262 20 0 BEADMP CO[C@H]1CCC[C@@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000685662242 487571993 /nfs/dbraw/zinc/57/19/93/487571993.db2.gz XQQSWZJFODXXLU-MCIONIFRSA-N 2 1 242.407 2.262 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+]1CCC(C)(C)C1CC1 ZINC000406051030 487585375 /nfs/dbraw/zinc/58/53/75/487585375.db2.gz HHSQWFHRKHVJLW-CYBMUJFWSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@@H+](CCC(C)(C)C1CC1)C1CC[NH2+]CC1 ZINC000405950275 487585509 /nfs/dbraw/zinc/58/55/09/487585509.db2.gz AAOFWGIWXWPDAP-UHFFFAOYSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H](Cc1cccc(F)c1)[N@@H+](C)CCC[NH3+] ZINC000162599301 487591666 /nfs/dbraw/zinc/59/16/66/487591666.db2.gz LCBDFTVEUUQATM-LLVKDONJSA-N 2 1 224.323 2.037 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000662267747 409569770 /nfs/dbraw/zinc/56/97/70/409569770.db2.gz YIDDHVDQEMDAMA-HBNTYKKESA-N 2 1 234.334 2.337 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000662244506 409535900 /nfs/dbraw/zinc/53/59/00/409535900.db2.gz HUDMYJSGVJZGNW-DGCLKSJQSA-N 2 1 208.349 2.012 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]21 ZINC000662267431 409569442 /nfs/dbraw/zinc/56/94/42/409569442.db2.gz VVAWXKRJMLLBPD-JSLGZRHDSA-N 2 1 234.387 2.092 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)[C@@H]1CC[NH3+] ZINC000662285840 409619181 /nfs/dbraw/zinc/61/91/81/409619181.db2.gz NPKQNJLDNOPVGV-UXXRCYHCSA-N 2 1 236.403 2.482 20 0 BEADMP [NH3+]CCC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000662285107 409615342 /nfs/dbraw/zinc/61/53/42/409615342.db2.gz WQVYCUYMPLETEB-CQSZACIVSA-N 2 1 218.344 2.215 20 0 BEADMP C[C@@H](C[NH2+]Cc1cc2cnccc2o1)C[NH+](C)C ZINC000651967519 409807595 /nfs/dbraw/zinc/80/75/95/409807595.db2.gz JFXMZGQFMIXAQT-NSHDSACASA-N 2 1 247.342 2.115 20 0 BEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000650703104 410332566 /nfs/dbraw/zinc/33/25/66/410332566.db2.gz KZUBPBLLVXIWJR-INIZCTEOSA-N 2 1 244.382 2.346 20 0 BEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000650703105 410333732 /nfs/dbraw/zinc/33/37/32/410333732.db2.gz KZUBPBLLVXIWJR-MRXNPFEDSA-N 2 1 244.382 2.346 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000650703281 410335371 /nfs/dbraw/zinc/33/53/71/410335371.db2.gz SNYHTYYKMFNUCV-JSGCOSHPSA-N 2 1 244.382 2.344 20 0 BEADMP C[C@H]1C[N@@H+](Cc2cccc3c2CCC3)CC[C@H]1[NH3+] ZINC000650703245 410335753 /nfs/dbraw/zinc/33/57/53/410335753.db2.gz QYZUBTWLWWUKFV-BLLLJJGKSA-N 2 1 244.382 2.344 20 0 BEADMP [NH3+]C[C@H]([NH2+]Cc1cccc2c1CCC2)C1CC1 ZINC000650703819 410336027 /nfs/dbraw/zinc/33/60/27/410336027.db2.gz SPMZQSWMLFLMCR-HNNXBMFYSA-N 2 1 230.355 2.002 20 0 BEADMP C[C@]1(c2cccc(F)c2)CC[N@@H+](CCC[NH3+])C1 ZINC000650708786 410340148 /nfs/dbraw/zinc/34/01/48/410340148.db2.gz MIBCLTJSTVPQJG-AWEZNQCLSA-N 2 1 236.334 2.138 20 0 BEADMP CC(C)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650724050 410360913 /nfs/dbraw/zinc/36/09/13/410360913.db2.gz XNCZEOTWMJVPCQ-MJBXVCDLSA-N 2 1 240.391 2.003 20 0 BEADMP CC[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1F ZINC000650742695 410376982 /nfs/dbraw/zinc/37/69/82/410376982.db2.gz BUQFSZJFXZTARB-HZMBPMFUSA-N 2 1 236.334 2.474 20 0 BEADMP C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000665266553 410740189 /nfs/dbraw/zinc/74/01/89/410740189.db2.gz FCYFZUNQTSKRIC-OUAUKWLOSA-N 2 1 232.318 2.152 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000665297883 410823819 /nfs/dbraw/zinc/82/38/19/410823819.db2.gz NKUWJERLURFHND-SDDRHHMPSA-N 2 1 216.344 2.102 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+]C1CCc2ccccc2CC1 ZINC000665297447 410818149 /nfs/dbraw/zinc/81/81/49/410818149.db2.gz GAPQYIJRCSEAJA-GFCCVEGCSA-N 2 1 232.371 2.132 20 0 BEADMP CC(C)C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000019912956 167003600 /nfs/dbraw/zinc/00/36/00/167003600.db2.gz ASPYMTATKKHQCA-ZDUSSCGKSA-N 2 1 212.381 2.497 20 0 BEADMP CC(C)C[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000020200623 167007277 /nfs/dbraw/zinc/00/72/77/167007277.db2.gz RYBHRZRAILRMSP-CYBMUJFWSA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)[NH2+]C1CC[NH+](CCc2cccnc2)CC1 ZINC000172161060 167094889 /nfs/dbraw/zinc/09/48/89/167094889.db2.gz XBCLGFIWJDYUPG-UHFFFAOYSA-N 2 1 247.386 2.087 20 0 BEADMP CC(C)[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000125264196 167098307 /nfs/dbraw/zinc/09/83/07/167098307.db2.gz CXSZLKLCLIAOOQ-LBPRGKRZSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000125264196 167098309 /nfs/dbraw/zinc/09/83/09/167098309.db2.gz CXSZLKLCLIAOOQ-LBPRGKRZSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)Oc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000050245496 167294968 /nfs/dbraw/zinc/29/49/68/167294968.db2.gz GYOZIXQGBIVTMI-CQSZACIVSA-N 2 1 248.370 2.254 20 0 BEADMP CC(C)[C@@H](C)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000251303388 167367225 /nfs/dbraw/zinc/36/72/25/167367225.db2.gz ILCLDUCLYHAHAE-CHWSQXEVSA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)[C@@H](C[N@@H+]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000339413640 167399685 /nfs/dbraw/zinc/39/96/85/167399685.db2.gz YARUAUCDSBMKMA-LSDHHAIUSA-N 2 1 232.371 2.459 20 0 BEADMP CC(C)[C@@H](C[N@H+]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000339413640 167399687 /nfs/dbraw/zinc/39/96/87/167399687.db2.gz YARUAUCDSBMKMA-LSDHHAIUSA-N 2 1 232.371 2.459 20 0 BEADMP CC(C)CC[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000042457201 411009018 /nfs/dbraw/zinc/00/90/18/411009018.db2.gz YJAXWUFPHAFMTR-UHFFFAOYSA-N 2 1 212.381 2.354 20 0 BEADMP C[N@@H+](CCC(C)(C)C)C[C@@]1(C)CC[NH2+]C1 ZINC000399794555 411065550 /nfs/dbraw/zinc/06/55/50/411065550.db2.gz VSSFUSIHUKQOGK-ZDUSSCGKSA-N 2 1 212.381 2.354 20 0 BEADMP CC(C)(C)[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000108324141 411144326 /nfs/dbraw/zinc/14/43/26/411144326.db2.gz JWBAPILCSYUBKG-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000300670435 411125080 /nfs/dbraw/zinc/12/50/80/411125080.db2.gz VUMSLKQTONTXIX-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000300670435 411125082 /nfs/dbraw/zinc/12/50/82/411125082.db2.gz VUMSLKQTONTXIX-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP C[N@H+]1CCC[C@H]2C[NH+](CC3CC=CC3)CC[C@H]21 ZINC000660009880 411172966 /nfs/dbraw/zinc/17/29/66/411172966.db2.gz CIIKLEYYTBMOOL-LSDHHAIUSA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@H+](CC3CC=CC3)CC[C@H]21 ZINC000660009880 411172967 /nfs/dbraw/zinc/17/29/67/411172967.db2.gz CIIKLEYYTBMOOL-LSDHHAIUSA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3CC=CC3)CC[C@H]21 ZINC000660009880 411172968 /nfs/dbraw/zinc/17/29/68/411172968.db2.gz CIIKLEYYTBMOOL-LSDHHAIUSA-N 2 1 234.387 2.369 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)CS1 ZINC000655696814 411242719 /nfs/dbraw/zinc/24/27/19/411242719.db2.gz KVQSIFJBOVQLDB-RTXFEEFZSA-N 2 1 242.432 2.200 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCSCC2)CC1 ZINC000657938880 411174626 /nfs/dbraw/zinc/17/46/26/411174626.db2.gz RJNHHNJDDOQVJF-ZDUSSCGKSA-N 2 1 240.416 2.124 20 0 BEADMP c1c2ccccc2[nH]c1C[NH2+]CCC[NH+]1CCC1 ZINC000655754491 411183892 /nfs/dbraw/zinc/18/38/92/411183892.db2.gz XMKXSCZHERRKNM-UHFFFAOYSA-N 2 1 243.354 2.353 20 0 BEADMP Cc1ccoc1C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000653695610 411188329 /nfs/dbraw/zinc/18/83/29/411188329.db2.gz XZBBCWGFHVLHOJ-UHFFFAOYSA-N 2 1 247.342 2.386 20 0 BEADMP Cc1ccoc1C[N@H+](C)CCCc1c[nH+]cn1C ZINC000653695610 411188332 /nfs/dbraw/zinc/18/83/32/411188332.db2.gz XZBBCWGFHVLHOJ-UHFFFAOYSA-N 2 1 247.342 2.386 20 0 BEADMP CC[C@H](C)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000310036689 411195878 /nfs/dbraw/zinc/19/58/78/411195878.db2.gz UNEQAVMKDMNAQT-NSHDSACASA-N 2 1 210.365 2.249 20 0 BEADMP COC[C@@H](CC(C)(C)C)[NH2+]CC[NH2+]C(C)(C)C ZINC000656193869 411199305 /nfs/dbraw/zinc/19/93/05/411199305.db2.gz WLAZYNKPWRPFOA-GFCCVEGCSA-N 2 1 244.423 2.415 20 0 BEADMP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)[C@H]1CCCCO1 ZINC000656202092 411206873 /nfs/dbraw/zinc/20/68/73/411206873.db2.gz YHCRWVSVHSQVBU-IGQOVBAYSA-N 2 1 240.391 2.064 20 0 BEADMP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223539010 411208138 /nfs/dbraw/zinc/20/81/38/411208138.db2.gz RECAQBROWPGEJY-MDZLAQPJSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223539010 411208140 /nfs/dbraw/zinc/20/81/40/411208140.db2.gz RECAQBROWPGEJY-MDZLAQPJSA-N 2 1 210.365 2.247 20 0 BEADMP CC(C)CC[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000652343513 411208258 /nfs/dbraw/zinc/20/82/58/411208258.db2.gz OSBPNTCCVVXXRW-KBPBESRZSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000652343559 411208481 /nfs/dbraw/zinc/20/84/81/411208481.db2.gz WIOQRHMZQYYXJM-MELADBBJSA-N 2 1 224.392 2.497 20 0 BEADMP CCCC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346354 411209458 /nfs/dbraw/zinc/20/94/58/411209458.db2.gz ZOZVRFAJZHSLEW-MJBXVCDLSA-N 2 1 240.391 2.005 20 0 BEADMP CC[C@H](C)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349530 411211090 /nfs/dbraw/zinc/21/10/90/411211090.db2.gz ROOFPXFKPUEHRV-FQUUOJAGSA-N 2 1 240.391 2.003 20 0 BEADMP C[C@@H]1CCC[N@@H+](Cc2cccc(N)c2)[C@@H]1CC[NH3+] ZINC000652356108 411214613 /nfs/dbraw/zinc/21/46/13/411214613.db2.gz SCDOEEXXZNIFLV-IUODEOHRSA-N 2 1 247.386 2.218 20 0 BEADMP Cc1c[nH+]ccc1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656226290 411215331 /nfs/dbraw/zinc/21/53/31/411215331.db2.gz LPYMHMQMSGUQNE-CABCVRRESA-N 2 1 245.370 2.241 20 0 BEADMP C([C@H]1CC[NH2+]C1)[N@@H+](C1CC1)C1CCCC1 ZINC000309720081 411218853 /nfs/dbraw/zinc/21/88/53/411218853.db2.gz VQJDEJDWVJZTCB-NSHDSACASA-N 2 1 208.349 2.003 20 0 BEADMP CC[C@@H]([NH2+]CCC[NH2+]C)c1ccccc1OC ZINC000423202889 411237313 /nfs/dbraw/zinc/23/73/13/411237313.db2.gz RRAHDRZQEOJLHI-CYBMUJFWSA-N 2 1 236.359 2.345 20 0 BEADMP CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423203097 411237557 /nfs/dbraw/zinc/23/75/57/411237557.db2.gz CAQAPXMADUEHOP-QWHCGFSZSA-N 2 1 247.386 2.294 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](C)SC2)C1 ZINC000655693954 411239722 /nfs/dbraw/zinc/23/97/22/411239722.db2.gz BIQKVFOAOLXVQU-UPJWGTAASA-N 2 1 242.432 2.202 20 0 BEADMP CC(C)[N@@H+](CCc1cncn1C)CC1CC1 ZINC000656461316 411270646 /nfs/dbraw/zinc/27/06/46/411270646.db2.gz SODHLXCXXJVZRN-UHFFFAOYSA-N 2 1 221.348 2.083 20 0 BEADMP c1ccc([C@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000051890179 411284468 /nfs/dbraw/zinc/28/44/68/411284468.db2.gz GVPORTGQBXZZQJ-HIFRSBDPSA-N 2 1 230.355 2.085 20 0 BEADMP CC[N@H+](Cc1cccs1)C[C@H]1CC[NH2+]C1 ZINC000051890026 411284965 /nfs/dbraw/zinc/28/49/65/411284965.db2.gz NXMYUZSUUCVZKI-NSHDSACASA-N 2 1 224.373 2.180 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccoc2)[C@H]2CCC[C@@H]21 ZINC000658196215 411289274 /nfs/dbraw/zinc/28/92/74/411289274.db2.gz CQPRCVRMHQQWNK-ILXRZTDVSA-N 2 1 248.370 2.285 20 0 BEADMP CCC[C@H](C)C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000309854017 411295478 /nfs/dbraw/zinc/29/54/78/411295478.db2.gz ZKLFNKJAHLBFPE-XQQFMLRXSA-N 2 1 210.365 2.106 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000309854017 411295480 /nfs/dbraw/zinc/29/54/80/411295480.db2.gz ZKLFNKJAHLBFPE-XQQFMLRXSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CC2(F)F)CC[N@H+]1C ZINC000658218637 411298797 /nfs/dbraw/zinc/29/87/97/411298797.db2.gz KJLQNQYKDFGRCZ-OUAUKWLOSA-N 2 1 232.318 2.104 20 0 BEADMP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)O1 ZINC000658220352 411299269 /nfs/dbraw/zinc/29/92/69/411299269.db2.gz PTSPCOZABSFFQI-RFQIPJPRSA-N 2 1 240.391 2.016 20 0 BEADMP Cc1cccc(CC[NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)c1 ZINC000401787908 411330946 /nfs/dbraw/zinc/33/09/46/411330946.db2.gz VAKFFKVLVRYKIM-ZFWWWQNUSA-N 2 1 232.371 2.125 20 0 BEADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC000658236328 411306198 /nfs/dbraw/zinc/30/61/98/411306198.db2.gz INWQLCYMKMXVCQ-CHWSQXEVSA-N 2 1 210.365 2.249 20 0 BEADMP C(=C/C[N@H+]1CC[C@@H]2C[C@@H]2C1)\C[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000661965871 411332371 /nfs/dbraw/zinc/33/23/71/411332371.db2.gz BIVCCUWRKBJAHY-JEKYVBGCSA-N 2 1 246.398 2.226 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C(C)(C)C2(F)F)CC[N@H+]1C ZINC000658279765 411319378 /nfs/dbraw/zinc/31/93/78/411319378.db2.gz CPDBQPQESAMTIX-VWYCJHECSA-N 2 1 246.345 2.350 20 0 BEADMP c1ccc2c(c1)CCC[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000062944701 411325061 /nfs/dbraw/zinc/32/50/61/411325061.db2.gz HCOQZDXWFLRSFP-CYBMUJFWSA-N 2 1 230.355 2.044 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)s1 ZINC000050248240 411256125 /nfs/dbraw/zinc/25/61/25/411256125.db2.gz IPRIUBLYWMWBCL-SNVBAGLBSA-N 2 1 224.373 2.091 20 0 BEADMP C[N@H+](Cc1cccc2ncccc12)CC(C)(C)[NH3+] ZINC000656787366 411366426 /nfs/dbraw/zinc/36/64/26/411366426.db2.gz JDMJRQMUKLZPHH-UHFFFAOYSA-N 2 1 243.354 2.404 20 0 BEADMP C[N@@H+](Cc1cccc2ncccc12)CC(C)(C)[NH3+] ZINC000656787366 411366427 /nfs/dbraw/zinc/36/64/27/411366427.db2.gz JDMJRQMUKLZPHH-UHFFFAOYSA-N 2 1 243.354 2.404 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656789343 411368915 /nfs/dbraw/zinc/36/89/15/411368915.db2.gz WEHDNRVCCFLPKG-DTZQCDIJSA-N 2 1 244.382 2.378 20 0 BEADMP COc1cccc([C@@]2(C)CC[N@@H+](CCC[NH3+])C2)c1 ZINC000656791420 411370476 /nfs/dbraw/zinc/37/04/76/411370476.db2.gz GACHHSWXKYBLAA-HNNXBMFYSA-N 2 1 248.370 2.007 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCCc2ccco2)CC[N@H+]1C ZINC000658327779 411335905 /nfs/dbraw/zinc/33/59/05/411335905.db2.gz RKCPLCCSXOPDOO-OLZOCXBDSA-N 2 1 236.359 2.285 20 0 BEADMP CCCC[N@H+](C)CCCc1c[nH+]cn1C ZINC000653479404 411339201 /nfs/dbraw/zinc/33/92/01/411339201.db2.gz RIEVFUVRXADCGZ-UHFFFAOYSA-N 2 1 209.337 2.085 20 0 BEADMP CCCC[N@@H+](C)CCCc1c[nH+]cn1C ZINC000653479404 411339204 /nfs/dbraw/zinc/33/92/04/411339204.db2.gz RIEVFUVRXADCGZ-UHFFFAOYSA-N 2 1 209.337 2.085 20 0 BEADMP CSc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000659850178 411342442 /nfs/dbraw/zinc/34/24/42/411342442.db2.gz OBIXNUAUYYMLQE-BETUJISGSA-N 2 1 248.395 2.060 20 0 BEADMP CSc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000659850178 411342444 /nfs/dbraw/zinc/34/24/44/411342444.db2.gz OBIXNUAUYYMLQE-BETUJISGSA-N 2 1 248.395 2.060 20 0 BEADMP CC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000336689450 168041154 /nfs/dbraw/zinc/04/11/54/168041154.db2.gz LXWYMFFTKUDOKZ-UHFFFAOYSA-N 2 1 208.349 2.003 20 0 BEADMP CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H](C)C(C)C ZINC000659858238 411348263 /nfs/dbraw/zinc/34/82/63/411348263.db2.gz WAPHEKKIELVHOZ-UONOGXRCSA-N 2 1 244.423 2.054 20 0 BEADMP CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@@H](C)C(C)C ZINC000659858238 411348265 /nfs/dbraw/zinc/34/82/65/411348265.db2.gz WAPHEKKIELVHOZ-UONOGXRCSA-N 2 1 244.423 2.054 20 0 BEADMP CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@@H](C)C(C)C ZINC000659858238 411348269 /nfs/dbraw/zinc/34/82/69/411348269.db2.gz WAPHEKKIELVHOZ-UONOGXRCSA-N 2 1 244.423 2.054 20 0 BEADMP CC1=CC[N@@H+](Cc2ccc(C[NH3+])cc2)CC1 ZINC000075423277 168114542 /nfs/dbraw/zinc/11/45/42/168114542.db2.gz IRZBOTUQHBPTJJ-UHFFFAOYSA-N 2 1 216.328 2.297 20 0 BEADMP CC1CC([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000336780785 168147233 /nfs/dbraw/zinc/14/72/33/168147233.db2.gz SCMDAETVACOBIA-UHFFFAOYSA-N 2 1 239.388 2.093 20 0 BEADMP Cc1cccnc1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404286476 411388425 /nfs/dbraw/zinc/38/84/25/411388425.db2.gz IFRGYDIYQKEJGH-DZGCQCFKSA-N 2 1 247.386 2.339 20 0 BEADMP C[N@@H+](CC1CC=CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000659945409 411389816 /nfs/dbraw/zinc/38/98/16/411389816.db2.gz BGFGHIZKMQKLMB-CQSZACIVSA-N 2 1 222.376 2.226 20 0 BEADMP C[NH+](CC1CC=CC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000659945409 411389820 /nfs/dbraw/zinc/38/98/20/411389820.db2.gz BGFGHIZKMQKLMB-CQSZACIVSA-N 2 1 222.376 2.226 20 0 BEADMP C[NH+](CC1CC=CC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000659945409 411389825 /nfs/dbraw/zinc/38/98/25/411389825.db2.gz BGFGHIZKMQKLMB-CQSZACIVSA-N 2 1 222.376 2.226 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357075965 168276959 /nfs/dbraw/zinc/27/69/59/168276959.db2.gz JNKMEHOBIWIRMS-OLZOCXBDSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@H]1CCC[N@@H+](CCc2cccnc2)[C@@H]1CC[NH3+] ZINC000404278375 411387412 /nfs/dbraw/zinc/38/74/12/411387412.db2.gz CFKZIHIIIGFBKE-DZGCQCFKSA-N 2 1 247.386 2.073 20 0 BEADMP Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])nc1 ZINC000404407978 411394177 /nfs/dbraw/zinc/39/41/77/411394177.db2.gz AZRWPCPQFPQRID-HIFRSBDPSA-N 2 1 247.386 2.339 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCSC2)[C@@H]1CC[NH3+] ZINC000404492787 411399533 /nfs/dbraw/zinc/39/95/33/411399533.db2.gz CMFFBBHWJIJEJW-JHJVBQTASA-N 2 1 242.432 2.189 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000404502545 411399649 /nfs/dbraw/zinc/39/96/49/411399649.db2.gz FBAVXFNRRXHQJJ-KGLIPLIRSA-N 2 1 242.407 2.249 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000404502545 411399652 /nfs/dbraw/zinc/39/96/52/411399652.db2.gz FBAVXFNRRXHQJJ-KGLIPLIRSA-N 2 1 242.407 2.249 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000070360810 411409570 /nfs/dbraw/zinc/40/95/70/411409570.db2.gz IVHYBZVNJBERCT-CHWSQXEVSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCc2ccccc21 ZINC000404880764 411410954 /nfs/dbraw/zinc/41/09/54/411410954.db2.gz FVQYXAYFJZRMOH-KBPBESRZSA-N 2 1 244.382 2.258 20 0 BEADMP CC[C@@H]1C[N@H+]([C@@H](C)c2ccncc2)CC[C@@H]1[NH3+] ZINC000122287555 411429259 /nfs/dbraw/zinc/42/92/59/411429259.db2.gz CMWOQXROWDZXLO-SCRDCRAPSA-N 2 1 233.359 2.202 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CS1 ZINC000655738194 411444827 /nfs/dbraw/zinc/44/48/27/411444827.db2.gz JJDJDSLKKHHUNQ-AAEUAGOBSA-N 2 1 240.416 2.122 20 0 BEADMP CC1(C)CCCC[C@H]1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659850922 411477434 /nfs/dbraw/zinc/47/74/34/411477434.db2.gz WSHZNBZKMMGSCH-MJBXVCDLSA-N 2 1 236.403 2.354 20 0 BEADMP C[NH+](C)[C@H]1CCC[N@@H+](CC2CC=CC2)CC1 ZINC000660415810 411488891 /nfs/dbraw/zinc/48/88/91/411488891.db2.gz JAJZPIPNMCZNNW-AWEZNQCLSA-N 2 1 222.376 2.369 20 0 BEADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc(N)c2)CC1 ZINC000660415697 411489333 /nfs/dbraw/zinc/48/93/33/411489333.db2.gz IAZCUIFDEUOELQ-OAHLLOKOSA-N 2 1 247.386 2.185 20 0 BEADMP C([C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1)[NH+]1CCCC1 ZINC000659948917 411508463 /nfs/dbraw/zinc/50/84/63/411508463.db2.gz UDPRPRAZKXFNKQ-JONQDZQNSA-N 2 1 248.414 2.450 20 0 BEADMP C[C@H](Cc1ccccn1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000655836747 411531926 /nfs/dbraw/zinc/53/19/26/411531926.db2.gz NXLOXLSDMFTHBI-NFAWXSAZSA-N 2 1 247.386 2.085 20 0 BEADMP C[C@H](Cc1ccccn1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000655836747 411531929 /nfs/dbraw/zinc/53/19/29/411531929.db2.gz NXLOXLSDMFTHBI-NFAWXSAZSA-N 2 1 247.386 2.085 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CC(C)(C)C2)C1 ZINC000336762606 170007456 /nfs/dbraw/zinc/00/74/56/170007456.db2.gz NZFPTAKRPMRMNC-NSHDSACASA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]CC2(SC)CCC2)C1 ZINC000304244740 170008135 /nfs/dbraw/zinc/00/81/35/170008135.db2.gz FIXLCYHQUOAEPO-LBPRGKRZSA-N 2 1 242.432 2.204 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCC2(C)C)C1 ZINC000308785937 170008932 /nfs/dbraw/zinc/00/89/32/170008932.db2.gz FNOTUNHGBBKSLK-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccn(C)c2)[C@H](C)C1 ZINC000093638987 170009976 /nfs/dbraw/zinc/00/99/76/170009976.db2.gz UMMAGAUKJDAYPU-UKRRQHHQSA-N 2 1 249.402 2.187 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccn(C)c2)[C@H](C)C1 ZINC000093638987 170009977 /nfs/dbraw/zinc/00/99/77/170009977.db2.gz UMMAGAUKJDAYPU-UKRRQHHQSA-N 2 1 249.402 2.187 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC(C)C)C[C@@H]1C ZINC000336643811 170010177 /nfs/dbraw/zinc/01/01/77/170010177.db2.gz DSODZKHMPBFUQF-QWHCGFSZSA-N 2 1 212.381 2.447 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC(C)C)C[C@@H]1C ZINC000336643811 170010179 /nfs/dbraw/zinc/01/01/79/170010179.db2.gz DSODZKHMPBFUQF-QWHCGFSZSA-N 2 1 212.381 2.447 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC(C)C)C[C@@H]1C ZINC000336643811 170010181 /nfs/dbraw/zinc/01/01/81/170010181.db2.gz DSODZKHMPBFUQF-QWHCGFSZSA-N 2 1 212.381 2.447 20 0 BEADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccco2)C1 ZINC000249370392 170010508 /nfs/dbraw/zinc/01/05/08/170010508.db2.gz ASVIUPXATPTTLE-NEPJUHHUSA-N 2 1 222.332 2.272 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccco2)C1 ZINC000249370392 170010509 /nfs/dbraw/zinc/01/05/09/170010509.db2.gz ASVIUPXATPTTLE-NEPJUHHUSA-N 2 1 222.332 2.272 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C(F)F)CC2)[C@@H](C)C1 ZINC000355146726 170010996 /nfs/dbraw/zinc/01/09/96/170010996.db2.gz GTBURPPNQUIYEM-WDEREUQCSA-N 2 1 246.345 2.352 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC2(C)C)C1 ZINC000308785941 170016638 /nfs/dbraw/zinc/01/66/38/170016638.db2.gz FNOTUNHGBBKSLK-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)C1 ZINC000337378451 170016954 /nfs/dbraw/zinc/01/69/54/170016954.db2.gz HYGNNKWLFWDWOP-LXTVHRRPSA-N 2 1 236.403 2.497 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000337983865 170017360 /nfs/dbraw/zinc/01/73/60/170017360.db2.gz CHLOFLOWKSSAKB-BPLDGKMQSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@H]1C[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)CO1 ZINC000657501637 411538633 /nfs/dbraw/zinc/53/86/33/411538633.db2.gz YQWCUPIWVUDQML-KBPBESRZSA-N 2 1 242.407 2.121 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CCSC)C[C@@H]1C ZINC000336652066 170017742 /nfs/dbraw/zinc/01/77/42/170017742.db2.gz WGKPKGOZMWTXRM-RYUDHWBXSA-N 2 1 230.421 2.154 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CCSC)C[C@@H]1C ZINC000336652066 170017743 /nfs/dbraw/zinc/01/77/43/170017743.db2.gz WGKPKGOZMWTXRM-RYUDHWBXSA-N 2 1 230.421 2.154 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCSC)C[C@@H]1C ZINC000336652066 170017745 /nfs/dbraw/zinc/01/77/45/170017745.db2.gz WGKPKGOZMWTXRM-RYUDHWBXSA-N 2 1 230.421 2.154 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCOC)C[C@H]1C ZINC000336718076 170018625 /nfs/dbraw/zinc/01/86/25/170018625.db2.gz ZPSYWRFCHCFCJP-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCOC)C[C@H]1C ZINC000336718076 170018627 /nfs/dbraw/zinc/01/86/27/170018627.db2.gz ZPSYWRFCHCFCJP-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCOC)C[C@H]1C ZINC000336718076 170018628 /nfs/dbraw/zinc/01/86/28/170018628.db2.gz ZPSYWRFCHCFCJP-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CCSC)C[C@H]1C ZINC000336652064 170018841 /nfs/dbraw/zinc/01/88/41/170018841.db2.gz WGKPKGOZMWTXRM-NEPJUHHUSA-N 2 1 230.421 2.154 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CCSC)C[C@H]1C ZINC000336652064 170018842 /nfs/dbraw/zinc/01/88/42/170018842.db2.gz WGKPKGOZMWTXRM-NEPJUHHUSA-N 2 1 230.421 2.154 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCSC)C[C@H]1C ZINC000336652064 170018843 /nfs/dbraw/zinc/01/88/43/170018843.db2.gz WGKPKGOZMWTXRM-NEPJUHHUSA-N 2 1 230.421 2.154 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CC2(C)C)[C@H](C)C1 ZINC000309426299 170020304 /nfs/dbraw/zinc/02/03/04/170020304.db2.gz FIFFYMMZZJRRNB-UPJWGTAASA-N 2 1 224.392 2.352 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cnccc2C)[C@H](C)C1 ZINC000354498474 170020472 /nfs/dbraw/zinc/02/04/72/170020472.db2.gz JPEQTURNMXVFNZ-HIFRSBDPSA-N 2 1 247.386 2.210 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cnccc2C)[C@H](C)C1 ZINC000354498474 170020475 /nfs/dbraw/zinc/02/04/75/170020475.db2.gz JPEQTURNMXVFNZ-HIFRSBDPSA-N 2 1 247.386 2.210 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCCCCOC)[C@H](C)C1 ZINC000122665771 170021156 /nfs/dbraw/zinc/02/11/56/170021156.db2.gz HQKOAIOWVOXRMZ-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccco2)[C@@H](C)C1 ZINC000359425946 170021339 /nfs/dbraw/zinc/02/13/39/170021339.db2.gz OISFXISJZCXXBA-JSGCOSHPSA-N 2 1 236.359 2.142 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCSC2)[C@H](C)C1 ZINC000336779016 170021501 /nfs/dbraw/zinc/02/15/01/170021501.db2.gz MZGUFMJUXDOLFG-AGIUHOORSA-N 2 1 242.432 2.059 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C)[C@H](C)C1 ZINC000336746412 170022111 /nfs/dbraw/zinc/02/21/11/170022111.db2.gz BKLBCAXYAGYYME-LPWJVIDDSA-N 2 1 210.365 2.105 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CSC)[C@@H](C)C1 ZINC000336759663 170023143 /nfs/dbraw/zinc/02/31/43/170023143.db2.gz KYOSYHILFYPIDC-SRVKXCTJSA-N 2 1 230.421 2.058 20 0 BEADMP CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000307624121 170031639 /nfs/dbraw/zinc/03/16/39/170031639.db2.gz FJTSJNSPVZSZPB-JKSUJKDBSA-N 2 1 244.382 2.460 20 0 BEADMP CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000307624121 170031640 /nfs/dbraw/zinc/03/16/40/170031640.db2.gz FJTSJNSPVZSZPB-JKSUJKDBSA-N 2 1 244.382 2.460 20 0 BEADMP CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000307624121 170031642 /nfs/dbraw/zinc/03/16/42/170031642.db2.gz FJTSJNSPVZSZPB-JKSUJKDBSA-N 2 1 244.382 2.460 20 0 BEADMP CC(C)(F)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657645273 411568967 /nfs/dbraw/zinc/56/89/67/411568967.db2.gz QEINEHCLXSVVHO-NEPJUHHUSA-N 2 1 228.355 2.341 20 0 BEADMP c1cc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)co1 ZINC000657653328 411570248 /nfs/dbraw/zinc/57/02/48/411570248.db2.gz JJZJZAPHNIFSGK-KBPBESRZSA-N 2 1 234.343 2.039 20 0 BEADMP CCC[N@H+](C)CC(C)(C)[NH2+]CC1CCOCC1 ZINC000657793472 411598884 /nfs/dbraw/zinc/59/88/84/411598884.db2.gz UTEKQTUPGSNOMZ-UHFFFAOYSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CC1CCOCC1 ZINC000657793472 411598887 /nfs/dbraw/zinc/59/88/87/411598887.db2.gz UTEKQTUPGSNOMZ-UHFFFAOYSA-N 2 1 242.407 2.123 20 0 BEADMP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCCSCC1 ZINC000657815999 411605033 /nfs/dbraw/zinc/60/50/33/411605033.db2.gz HBQZUGCBSFNCKS-LLVKDONJSA-N 2 1 230.421 2.202 20 0 BEADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC000660616371 411607750 /nfs/dbraw/zinc/60/77/50/411607750.db2.gz KNASTAGBDUKUFA-LXTVHRRPSA-N 2 1 234.387 2.060 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC000660616371 411607751 /nfs/dbraw/zinc/60/77/51/411607751.db2.gz KNASTAGBDUKUFA-LXTVHRRPSA-N 2 1 234.387 2.060 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC000660616371 411607754 /nfs/dbraw/zinc/60/77/54/411607754.db2.gz KNASTAGBDUKUFA-LXTVHRRPSA-N 2 1 234.387 2.060 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657841045 411609971 /nfs/dbraw/zinc/60/99/71/411609971.db2.gz MKMJRRIXNLRDCR-LLVKDONJSA-N 2 1 246.345 2.006 20 0 BEADMP CC(C)=CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660653895 411613163 /nfs/dbraw/zinc/61/31/63/411613163.db2.gz DISVALVPVFMDTH-CQSZACIVSA-N 2 1 222.376 2.370 20 0 BEADMP CC(C)=CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660653895 411613165 /nfs/dbraw/zinc/61/31/65/411613165.db2.gz DISVALVPVFMDTH-CQSZACIVSA-N 2 1 222.376 2.370 20 0 BEADMP CC(C)=CC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660653895 411613167 /nfs/dbraw/zinc/61/31/67/411613167.db2.gz DISVALVPVFMDTH-CQSZACIVSA-N 2 1 222.376 2.370 20 0 BEADMP CCCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656768 411614404 /nfs/dbraw/zinc/61/44/04/411614404.db2.gz XPWBGUYTNYFMLJ-ZDUSSCGKSA-N 2 1 210.365 2.204 20 0 BEADMP CCCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660656768 411614405 /nfs/dbraw/zinc/61/44/05/411614405.db2.gz XPWBGUYTNYFMLJ-ZDUSSCGKSA-N 2 1 210.365 2.204 20 0 BEADMP CCCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660656768 411614406 /nfs/dbraw/zinc/61/44/06/411614406.db2.gz XPWBGUYTNYFMLJ-ZDUSSCGKSA-N 2 1 210.365 2.204 20 0 BEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C1CCCC1)C2 ZINC000660656942 411614996 /nfs/dbraw/zinc/61/49/96/411614996.db2.gz BYOFMRWESVDABG-AWEZNQCLSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C1CCCC1)C2 ZINC000660656942 411614998 /nfs/dbraw/zinc/61/49/98/411614998.db2.gz BYOFMRWESVDABG-AWEZNQCLSA-N 2 1 222.376 2.347 20 0 BEADMP CC[C@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662368 411615504 /nfs/dbraw/zinc/61/55/04/411615504.db2.gz IXACTWLAMYJZHK-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660662368 411615505 /nfs/dbraw/zinc/61/55/05/411615505.db2.gz IXACTWLAMYJZHK-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660662368 411615506 /nfs/dbraw/zinc/61/55/06/411615506.db2.gz IXACTWLAMYJZHK-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)c2ccncc2)C1 ZINC000218068154 411619092 /nfs/dbraw/zinc/61/90/92/411619092.db2.gz PINSYXNOGMEWOC-STQMWFEESA-N 2 1 233.359 2.074 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)c2ccncc2)C1 ZINC000218068154 411619093 /nfs/dbraw/zinc/61/90/93/411619093.db2.gz PINSYXNOGMEWOC-STQMWFEESA-N 2 1 233.359 2.074 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCCC2)CS1 ZINC000131962006 411704610 /nfs/dbraw/zinc/70/46/10/411704610.db2.gz HRZXFLFATLRAEO-NEPJUHHUSA-N 2 1 242.432 2.344 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000663508475 411690232 /nfs/dbraw/zinc/69/02/32/411690232.db2.gz APVHNICAHOXLMM-VXGBXAGGSA-N 2 1 238.350 2.344 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1C ZINC000663512684 411694355 /nfs/dbraw/zinc/69/43/55/411694355.db2.gz HIUYGSCODOEHBR-QWHCGFSZSA-N 2 1 220.360 2.124 20 0 BEADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@H]2CC2(C)C)CC[NH2+]1 ZINC000663513122 411694527 /nfs/dbraw/zinc/69/45/27/411694527.db2.gz ILZBCPUDLDCFSU-FRRDWIJNSA-N 2 1 224.392 2.352 20 0 BEADMP CCc1cc(NC[C@@H]2CC[N@H+]2C(C)(C)C)cc[nH+]1 ZINC000664139583 411867725 /nfs/dbraw/zinc/86/77/25/411867725.db2.gz WUWRTCHHSQWNKU-AWEZNQCLSA-N 2 1 247.386 2.351 20 0 BEADMP CCc1nc(NCC[C@@H](C)[NH+](C)C)cc(C)[nH+]1 ZINC000664246860 411897347 /nfs/dbraw/zinc/89/73/47/411897347.db2.gz ZDBWFJWQBZIUNM-LLVKDONJSA-N 2 1 236.363 2.100 20 0 BEADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1cccnc1 ZINC000314980038 411898421 /nfs/dbraw/zinc/89/84/21/411898421.db2.gz XLBXPFYVMGAHDE-GFCCVEGCSA-N 2 1 244.342 2.099 20 0 BEADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000662233520 412032204 /nfs/dbraw/zinc/03/22/04/412032204.db2.gz GGUUDGSXXPCQIX-CLLJXQQHSA-N 2 1 234.387 2.249 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000662235255 412033952 /nfs/dbraw/zinc/03/39/52/412033952.db2.gz OXQHWCMUAHKRRT-NXEZZACHSA-N 2 1 220.307 2.091 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000662235255 412033955 /nfs/dbraw/zinc/03/39/55/412033955.db2.gz OXQHWCMUAHKRRT-NXEZZACHSA-N 2 1 220.307 2.091 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC1CC=CC1 ZINC000662247809 412037491 /nfs/dbraw/zinc/03/74/91/412037491.db2.gz LOCKZNMTLZBEJZ-ZDUSSCGKSA-N 2 1 210.365 2.258 20 0 BEADMP c1ccc2c(c1)CC[C@H]2CC[N@H+]1CCC[NH2+]CC1 ZINC000662240791 412037741 /nfs/dbraw/zinc/03/77/41/412037741.db2.gz MSAGLSJTQKATJY-HNNXBMFYSA-N 2 1 244.382 2.402 20 0 BEADMP CC1(C)CCCC[C@H]1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000662244666 412042004 /nfs/dbraw/zinc/04/20/04/412042004.db2.gz RKSPBIZNHRNFOA-RYUDHWBXSA-N 2 1 210.365 2.236 20 0 BEADMP CC1(C)CCCC[C@H]1C[N@H+]1CC[C@H]([NH3+])C1 ZINC000662244666 412042007 /nfs/dbraw/zinc/04/20/07/412042007.db2.gz RKSPBIZNHRNFOA-RYUDHWBXSA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000662245504 412042147 /nfs/dbraw/zinc/04/21/47/412042147.db2.gz RTNWMUKWTVGKCO-AXFHLTTASA-N 2 1 234.334 2.337 20 0 BEADMP CC(C)=CCC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000662245763 412043176 /nfs/dbraw/zinc/04/31/76/412043176.db2.gz OKZXUSFQLABCMR-STQMWFEESA-N 2 1 210.365 2.402 20 0 BEADMP CC[C@@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1C ZINC000309326008 171001065 /nfs/dbraw/zinc/00/10/65/171001065.db2.gz HYSMVXPDBPOAQH-CHWSQXEVSA-N 2 1 221.348 2.360 20 0 BEADMP CC[C@@H]1CCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000336751136 171001599 /nfs/dbraw/zinc/00/15/99/171001599.db2.gz ZYWIEDVXTSBOBJ-DGCLKSJQSA-N 2 1 221.348 2.131 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1CC[C@H]1CC ZINC000309176730 171041598 /nfs/dbraw/zinc/04/15/98/171041598.db2.gz MZDCAGBXUCASBM-UPJWGTAASA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1CC[C@H]1CC ZINC000309176730 171041599 /nfs/dbraw/zinc/04/15/99/171041599.db2.gz MZDCAGBXUCASBM-UPJWGTAASA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC000310036767 171043928 /nfs/dbraw/zinc/04/39/28/171043928.db2.gz UNXCJDIKDNUZMF-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000336660803 171044400 /nfs/dbraw/zinc/04/44/00/171044400.db2.gz BXABFRUWHKBKTL-XQQFMLRXSA-N 2 1 212.381 2.493 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000336660803 171044403 /nfs/dbraw/zinc/04/44/03/171044403.db2.gz BXABFRUWHKBKTL-XQQFMLRXSA-N 2 1 212.381 2.493 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000310018932 171058836 /nfs/dbraw/zinc/05/88/36/171058836.db2.gz MGCCUOQCNXHRPB-OUCADQQQSA-N 2 1 222.376 2.249 20 0 BEADMP CC[C@H]1C[N@@H+](CC2CC=CC2)CC[C@@H]1[NH3+] ZINC000662270853 412062485 /nfs/dbraw/zinc/06/24/85/412062485.db2.gz PZZXQZTUMOPXIU-STQMWFEESA-N 2 1 208.349 2.012 20 0 BEADMP C[C@@H]1C[N@H+](CC[C@H]2CCc3ccccc32)C[C@H]1[NH3+] ZINC000662275949 412067186 /nfs/dbraw/zinc/06/71/86/412067186.db2.gz GBFPQYKAEYFBNT-XNRPHZJLSA-N 2 1 244.382 2.386 20 0 BEADMP C[C@@H]1C[N@@H+](CC[C@H]2CCc3ccccc32)C[C@H]1[NH3+] ZINC000662275949 412067190 /nfs/dbraw/zinc/06/71/90/412067190.db2.gz GBFPQYKAEYFBNT-XNRPHZJLSA-N 2 1 244.382 2.386 20 0 BEADMP CC(C)=CCC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662276398 412068745 /nfs/dbraw/zinc/06/87/45/412068745.db2.gz MDILOWNOJWREKG-CHWSQXEVSA-N 2 1 208.349 2.027 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662276398 412068749 /nfs/dbraw/zinc/06/87/49/412068749.db2.gz MDILOWNOJWREKG-CHWSQXEVSA-N 2 1 208.349 2.027 20 0 BEADMP C1=CCC(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000662276492 412068968 /nfs/dbraw/zinc/06/89/68/412068968.db2.gz NMMNFJQUMUFXIO-CABCVRRESA-N 2 1 234.387 2.417 20 0 BEADMP C(CC1CCC1)C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000662276681 412069654 /nfs/dbraw/zinc/06/96/54/412069654.db2.gz OIXUGDGQTKZLAO-UONOGXRCSA-N 2 1 222.376 2.251 20 0 BEADMP C(CC1CCC1)C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000662276681 412069656 /nfs/dbraw/zinc/06/96/56/412069656.db2.gz OIXUGDGQTKZLAO-UONOGXRCSA-N 2 1 222.376 2.251 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000335570590 171279732 /nfs/dbraw/zinc/27/97/32/171279732.db2.gz LPCHEWUWSANWQF-LBPRGKRZSA-N 2 1 210.365 2.108 20 0 BEADMP CC[C@H](C)C[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000336660059 171286953 /nfs/dbraw/zinc/28/69/53/171286953.db2.gz RFBRVGDBBMMTIT-NWDGAFQWSA-N 2 1 200.370 2.351 20 0 BEADMP CC[C@H](C)C[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000336660059 171286954 /nfs/dbraw/zinc/28/69/54/171286954.db2.gz RFBRVGDBBMMTIT-NWDGAFQWSA-N 2 1 200.370 2.351 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)C(C)C ZINC000053377691 171306075 /nfs/dbraw/zinc/30/60/75/171306075.db2.gz PIVKTFBXIKPZKL-RYUDHWBXSA-N 2 1 200.370 2.351 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)C(C)C ZINC000053377691 171306078 /nfs/dbraw/zinc/30/60/78/171306078.db2.gz PIVKTFBXIKPZKL-RYUDHWBXSA-N 2 1 200.370 2.351 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000336659921 171307649 /nfs/dbraw/zinc/30/76/49/171307649.db2.gz BQZICSIZAQBHIJ-MROQNXINSA-N 2 1 212.381 2.351 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000336659921 171307651 /nfs/dbraw/zinc/30/76/51/171307651.db2.gz BQZICSIZAQBHIJ-MROQNXINSA-N 2 1 212.381 2.351 20 0 BEADMP CC[C@H](C)[N@H+](C)CCNc1cc(C)[nH+]c(C)n1 ZINC000132306900 171307664 /nfs/dbraw/zinc/30/76/64/171307664.db2.gz XAPWTKVPYNSQNP-NSHDSACASA-N 2 1 236.363 2.236 20 0 BEADMP CC[C@H](C)[N@@H+](C)CCNc1cc(C)[nH+]c(C)n1 ZINC000132306900 171307666 /nfs/dbraw/zinc/30/76/66/171307666.db2.gz XAPWTKVPYNSQNP-NSHDSACASA-N 2 1 236.363 2.236 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)C1CCOCC1 ZINC000354326589 171308645 /nfs/dbraw/zinc/30/86/45/171308645.db2.gz DSUAJKPDKDQHQN-QWHCGFSZSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)C1CCOCC1 ZINC000354326589 171308648 /nfs/dbraw/zinc/30/86/48/171308648.db2.gz DSUAJKPDKDQHQN-QWHCGFSZSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294072 412082129 /nfs/dbraw/zinc/08/21/29/412082129.db2.gz OSDQDVFDNJQEMX-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC2CC1(C)C2 ZINC000662385629 412138119 /nfs/dbraw/zinc/13/81/19/412138119.db2.gz YLYKOQADXIQBKQ-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@H](C)[C@H](C)[N@@H+](CCC[NH2+]C)C1CC1 ZINC000336674216 171386382 /nfs/dbraw/zinc/38/63/82/171386382.db2.gz KBVBWKQULVASRN-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP C[NH2+]CCC[N@H+]1CCc2ccccc2C(C)(C)C1 ZINC000662299664 412086343 /nfs/dbraw/zinc/08/63/43/412086343.db2.gz UHNVYFRDCPGFLL-UHFFFAOYSA-N 2 1 246.398 2.432 20 0 BEADMP [NH3+]CC12CC(C1)C[N@@H+]2CCCC1CCCC1 ZINC000662304377 412089074 /nfs/dbraw/zinc/08/90/74/412089074.db2.gz PRMBCCPMNNONRU-UHFFFAOYSA-N 2 1 222.376 2.380 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662304408 412089624 /nfs/dbraw/zinc/08/96/24/412089624.db2.gz RJGFNRUILWHOOR-UHFFFAOYSA-N 2 1 230.355 2.227 20 0 BEADMP C[C@@H](c1ccccc1)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662306771 412093038 /nfs/dbraw/zinc/09/30/38/412093038.db2.gz DEJLKVWBZBVMOV-DCBWTQNWSA-N 2 1 216.328 2.171 20 0 BEADMP C[C@@H](c1ccccc1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662306771 412093040 /nfs/dbraw/zinc/09/30/40/412093040.db2.gz DEJLKVWBZBVMOV-DCBWTQNWSA-N 2 1 216.328 2.171 20 0 BEADMP FCC[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000662312694 412094663 /nfs/dbraw/zinc/09/46/63/412094663.db2.gz YZFNCJNMYYYBBR-UONOGXRCSA-N 2 1 242.382 2.448 20 0 BEADMP CC(C)OCC[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315911 412096162 /nfs/dbraw/zinc/09/61/62/412096162.db2.gz VDZFXKDNCXEQOH-ZIAGYGMSSA-N 2 1 242.407 2.251 20 0 BEADMP c1cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000662315952 412096584 /nfs/dbraw/zinc/09/65/84/412096584.db2.gz RGLKEJQLFXUBKS-IUODEOHRSA-N 2 1 242.366 2.174 20 0 BEADMP C(C[N@H+]1CCC[C@H](C2CCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000662317277 412098481 /nfs/dbraw/zinc/09/84/81/412098481.db2.gz OBGLBTOOXMSJLK-ZFWWWQNUSA-N 2 1 236.403 2.498 20 0 BEADMP CC12CC(C1)C[N@H+]2CCCC1CC[NH2+]CC1 ZINC000662336788 412108479 /nfs/dbraw/zinc/10/84/79/412108479.db2.gz GSVLGURDHDESCI-UHFFFAOYSA-N 2 1 222.376 2.251 20 0 BEADMP CC[C@H](C[NH2+]C[C@@H]1CCSC1)[NH+]1CCCC1 ZINC000309687730 171437833 /nfs/dbraw/zinc/43/78/33/171437833.db2.gz HWBDGFSFQUWFKV-QWHCGFSZSA-N 2 1 242.432 2.204 20 0 BEADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@@H]1CC1(C)C ZINC000662345688 412115121 /nfs/dbraw/zinc/11/51/21/412115121.db2.gz LCEFZRZFNCCBPN-QWHCGFSZSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@@H]1CC1(C)C ZINC000662345688 412115123 /nfs/dbraw/zinc/11/51/23/412115123.db2.gz LCEFZRZFNCCBPN-QWHCGFSZSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@@H]1CC1(C)C ZINC000662345688 412115126 /nfs/dbraw/zinc/11/51/26/412115126.db2.gz LCEFZRZFNCCBPN-QWHCGFSZSA-N 2 1 224.392 2.449 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC2CC1(C)C2 ZINC000662384654 412135354 /nfs/dbraw/zinc/13/53/54/412135354.db2.gz RYFIKHXWDASKTP-UHFFFAOYSA-N 2 1 219.332 2.066 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CC2CC1(C)C2 ZINC000662384654 412135357 /nfs/dbraw/zinc/13/53/57/412135357.db2.gz RYFIKHXWDASKTP-UHFFFAOYSA-N 2 1 219.332 2.066 20 0 BEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000665237453 412178709 /nfs/dbraw/zinc/17/87/09/412178709.db2.gz BGPPMHDJBOWDSY-STQMWFEESA-N 2 1 230.311 2.402 20 0 BEADMP Cc1cc(C)cc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000665245471 412189204 /nfs/dbraw/zinc/18/92/04/412189204.db2.gz JSAVNBIJPHQENB-KGLIPLIRSA-N 2 1 218.344 2.273 20 0 BEADMP CC[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccncc1 ZINC000665247143 412193567 /nfs/dbraw/zinc/19/35/67/412193567.db2.gz WLEINPADSRVOPF-ZDUSSCGKSA-N 2 1 233.359 2.394 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCC1CCC1 ZINC000665267306 412210493 /nfs/dbraw/zinc/21/04/93/412210493.db2.gz UJWOVXNDOWIGDG-DGCLKSJQSA-N 2 1 210.365 2.154 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000665267070 412210947 /nfs/dbraw/zinc/21/09/47/412210947.db2.gz PDOSMWTVOUIZSH-MXWKQRLJSA-N 2 1 232.318 2.009 20 0 BEADMP CC[C@H]([NH2+]CC1=CCCC1)[C@@H]1CCC[NH2+]1 ZINC000665274408 412217798 /nfs/dbraw/zinc/21/77/98/412217798.db2.gz POVRSESKUXQNKN-STQMWFEESA-N 2 1 208.349 2.217 20 0 BEADMP Cc1ccc2c(c1)[C@@H]([NH2+]CC13CC(C1)C[NH2+]3)CC2 ZINC000665277020 412219310 /nfs/dbraw/zinc/21/93/10/412219310.db2.gz RIAXZGLWEWAILR-NRAUKZCXSA-N 2 1 242.366 2.324 20 0 BEADMP c1ccc([C@H]([NH2+]CC23CC(C2)C[NH2+]3)C2CC2)cc1 ZINC000665279038 412222611 /nfs/dbraw/zinc/22/26/11/412222611.db2.gz VMEIBZUMRPFWFD-NRAUKZCXSA-N 2 1 242.366 2.479 20 0 BEADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000665280617 412225276 /nfs/dbraw/zinc/22/52/76/412225276.db2.gz HSOKWOKOVXZCNG-CMPLNLGQSA-N 2 1 239.338 2.245 20 0 BEADMP C[C@@H]([NH2+]CCCc1ccco1)[C@H]1CCCC[NH2+]1 ZINC000665283553 412230051 /nfs/dbraw/zinc/23/00/51/412230051.db2.gz PSOFIRHJWWRSES-TZMCWYRMSA-N 2 1 236.359 2.332 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000665295813 412242634 /nfs/dbraw/zinc/24/26/34/412242634.db2.gz JSOVSBXYIQMDGE-RWMBFGLXSA-N 2 1 242.407 2.024 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000665298169 412245697 /nfs/dbraw/zinc/24/56/97/412245697.db2.gz TTYKYUPHKOJQDA-DHMWGJHJSA-N 2 1 232.371 2.376 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000665298170 412246569 /nfs/dbraw/zinc/24/65/69/412246569.db2.gz TTYKYUPHKOJQDA-JURCDPSOSA-N 2 1 232.371 2.376 20 0 BEADMP CC[C@H]1CC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000310010551 171648311 /nfs/dbraw/zinc/64/83/11/171648311.db2.gz ILIXYWFWFMLTJU-QWHCGFSZSA-N 2 1 221.348 2.360 20 0 BEADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccco3)C2)CC1 ZINC000290331651 173000011 /nfs/dbraw/zinc/00/00/11/173000011.db2.gz DURYXNJJFIGBHD-AWEZNQCLSA-N 2 1 248.370 2.443 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC12CCC2 ZINC000336555779 173029128 /nfs/dbraw/zinc/02/91/28/173029128.db2.gz UYCDBVHCCUTNIO-GFCCVEGCSA-N 2 1 208.349 2.099 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC12CCC2 ZINC000336555779 173029130 /nfs/dbraw/zinc/02/91/30/173029130.db2.gz UYCDBVHCCUTNIO-GFCCVEGCSA-N 2 1 208.349 2.099 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC12CCC2 ZINC000336555779 173029131 /nfs/dbraw/zinc/02/91/31/173029131.db2.gz UYCDBVHCCUTNIO-GFCCVEGCSA-N 2 1 208.349 2.099 20 0 BEADMP C[N@H+]1CCC[C@H]2C[NH+](CCC3CC3)CC[C@@H]21 ZINC000335904936 173059163 /nfs/dbraw/zinc/05/91/63/173059163.db2.gz NYEYWFWAYBDVLA-KBPBESRZSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@H+](CCC3CC3)CC[C@@H]21 ZINC000335904936 173059165 /nfs/dbraw/zinc/05/91/65/173059165.db2.gz NYEYWFWAYBDVLA-KBPBESRZSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC3CC3)CC[C@@H]21 ZINC000335904936 173059166 /nfs/dbraw/zinc/05/91/66/173059166.db2.gz NYEYWFWAYBDVLA-KBPBESRZSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCCCF)[C@@H]2CCC[C@@H]21 ZINC000336763902 173152058 /nfs/dbraw/zinc/15/20/58/173152058.db2.gz MQQDKERDGRPLFF-AVGNSLFASA-N 2 1 228.355 2.199 20 0 BEADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000375733654 173197200 /nfs/dbraw/zinc/19/72/00/173197200.db2.gz BWHAPWVFJWFTFO-FRRDWIJNSA-N 2 1 222.376 2.059 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000375733654 173197202 /nfs/dbraw/zinc/19/72/02/173197202.db2.gz BWHAPWVFJWFTFO-FRRDWIJNSA-N 2 1 222.376 2.059 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000375733654 173197204 /nfs/dbraw/zinc/19/72/04/173197204.db2.gz BWHAPWVFJWFTFO-FRRDWIJNSA-N 2 1 222.376 2.059 20 0 BEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000054627697 173323565 /nfs/dbraw/zinc/32/35/65/173323565.db2.gz HLTSXIQQDWKWBM-GOOCMWNKSA-N 2 1 230.355 2.401 20 0 BEADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000077299949 173346401 /nfs/dbraw/zinc/34/64/01/173346401.db2.gz UHVUAVYWAXSXBP-LBPRGKRZSA-N 2 1 206.333 2.289 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@H](CC(C)C)C1 ZINC000309651968 173346794 /nfs/dbraw/zinc/34/67/94/173346794.db2.gz UBKZHZPLVKEOQK-CYBMUJFWSA-N 2 1 212.381 2.354 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC2(C1)CCCCC2 ZINC000308940075 173347564 /nfs/dbraw/zinc/34/75/64/173347564.db2.gz RNBUPAXZUIGSFP-UHFFFAOYSA-N 2 1 210.365 2.252 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000227550575 173370691 /nfs/dbraw/zinc/37/06/91/173370691.db2.gz GNDJYIUWQFTCNE-MCIONIFRSA-N 2 1 224.392 2.354 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2sccc2C)C1 ZINC000040591979 173378479 /nfs/dbraw/zinc/37/84/79/173378479.db2.gz HJQUDXYRXVLKEL-GFCCVEGCSA-N 2 1 238.400 2.488 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(OC)c2)C1 ZINC000011888744 173378534 /nfs/dbraw/zinc/37/85/34/173378534.db2.gz DZPWBRRMTPAMQT-CQSZACIVSA-N 2 1 248.370 2.127 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000011888744 173378536 /nfs/dbraw/zinc/37/85/36/173378536.db2.gz DZPWBRRMTPAMQT-CQSZACIVSA-N 2 1 248.370 2.127 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H](C)c1ccccc1 ZINC000133013022 173380265 /nfs/dbraw/zinc/38/02/65/173380265.db2.gz FNKILNQUMLSMIB-DZGCQCFKSA-N 2 1 232.371 2.474 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H](C)c1ccccc1 ZINC000133013022 173380267 /nfs/dbraw/zinc/38/02/67/173380267.db2.gz FNKILNQUMLSMIB-DZGCQCFKSA-N 2 1 232.371 2.474 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC000053032160 173381589 /nfs/dbraw/zinc/38/15/89/173381589.db2.gz DIMMXLIUXHJEDD-NWDGAFQWSA-N 2 1 236.334 2.428 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC000053032160 173381590 /nfs/dbraw/zinc/38/15/90/173381590.db2.gz DIMMXLIUXHJEDD-NWDGAFQWSA-N 2 1 236.334 2.428 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC000300965185 173381957 /nfs/dbraw/zinc/38/19/57/173381957.db2.gz RLIJABTYJGVGLW-QWHCGFSZSA-N 2 1 212.381 2.210 20 0 BEADMP COC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000336655252 174004517 /nfs/dbraw/zinc/00/45/17/174004517.db2.gz JCVRGXFDFNAUSM-STQMWFEESA-N 2 1 240.391 2.018 20 0 BEADMP COc1ccc(C)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227073616 175075648 /nfs/dbraw/zinc/07/56/48/175075648.db2.gz BXQAKALPYWFWCZ-GXTWGEPZSA-N 2 1 248.370 2.173 20 0 BEADMP COc1ccc(C)cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227073616 175075650 /nfs/dbraw/zinc/07/56/50/175075650.db2.gz BXQAKALPYWFWCZ-GXTWGEPZSA-N 2 1 248.370 2.173 20 0 BEADMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000042442232 175096058 /nfs/dbraw/zinc/09/60/58/175096058.db2.gz HVNVOJKQYURHJA-CQSZACIVSA-N 2 1 248.370 2.127 20 0 BEADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000125537862 175102497 /nfs/dbraw/zinc/10/24/97/175102497.db2.gz MJDNOQWVRIYVMG-AWEZNQCLSA-N 2 1 248.370 2.079 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000125537862 175102499 /nfs/dbraw/zinc/10/24/99/175102499.db2.gz MJDNOQWVRIYVMG-AWEZNQCLSA-N 2 1 248.370 2.079 20 0 BEADMP COc1ccccc1C[N@H+](CCC[NH3+])C1CC1 ZINC000043457200 175326372 /nfs/dbraw/zinc/32/63/72/175326372.db2.gz KBPYKTPTNAZJTJ-UHFFFAOYSA-N 2 1 234.343 2.008 20 0 BEADMP COc1ccccc1C[N@@H+](CCC[NH3+])C1CC1 ZINC000043457200 175326374 /nfs/dbraw/zinc/32/63/74/175326374.db2.gz KBPYKTPTNAZJTJ-UHFFFAOYSA-N 2 1 234.343 2.008 20 0 BEADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000049509036 176015511 /nfs/dbraw/zinc/01/55/11/176015511.db2.gz FGFOVDQKNMJXSB-WDEREUQCSA-N 2 1 222.307 2.167 20 0 BEADMP C[C@@H](c1cccc(F)c1)[NH+]1CCC([NH3+])CC1 ZINC000020521417 176018536 /nfs/dbraw/zinc/01/85/36/176018536.db2.gz XDVCVLAQZMSCTG-JTQLQIEISA-N 2 1 222.307 2.310 20 0 BEADMP C[C@@H](c1ccccn1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000247720587 176025883 /nfs/dbraw/zinc/02/58/83/176025883.db2.gz AEVYYNQGMOLKNQ-STQMWFEESA-N 2 1 233.359 2.074 20 0 BEADMP C[C@@H](c1ccccn1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000247720587 176025885 /nfs/dbraw/zinc/02/58/85/176025885.db2.gz AEVYYNQGMOLKNQ-STQMWFEESA-N 2 1 233.359 2.074 20 0 BEADMP C[C@@H](c1cccnc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000358458798 176029908 /nfs/dbraw/zinc/02/99/08/176029908.db2.gz UGQNOYURJQJTRH-QWHCGFSZSA-N 2 1 233.359 2.026 20 0 BEADMP C[C@@H](c1cccnc1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000358458798 176029910 /nfs/dbraw/zinc/02/99/10/176029910.db2.gz UGQNOYURJQJTRH-QWHCGFSZSA-N 2 1 233.359 2.026 20 0 BEADMP C[C@@H]1CCCCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000226736999 176063432 /nfs/dbraw/zinc/06/34/32/176063432.db2.gz QIMBGJFXRMUIGM-OLZOCXBDSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccn1C ZINC000020360526 176071087 /nfs/dbraw/zinc/07/10/87/176071087.db2.gz ZXNLKLBYQFBZQB-CQSZACIVSA-N 2 1 249.402 2.379 20 0 BEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccn1C ZINC000020360526 176071089 /nfs/dbraw/zinc/07/10/89/176071089.db2.gz ZXNLKLBYQFBZQB-CQSZACIVSA-N 2 1 249.402 2.379 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357045026 176076566 /nfs/dbraw/zinc/07/65/66/176076566.db2.gz HMEVJWXMEMXBFD-BARDWOONSA-N 2 1 236.403 2.354 20 0 BEADMP C[C@@H]1CCC[C@@H](CC[N@H+]2CC[C@@H](C[NH3+])C2)C1 ZINC000226869766 176117043 /nfs/dbraw/zinc/11/70/43/176117043.db2.gz BNYFRJVVAAVKJT-RDBSUJKOSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000336775789 176128166 /nfs/dbraw/zinc/12/81/66/176128166.db2.gz CRNNJBUSBORSKR-SYQHCUMBSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000337693636 176167235 /nfs/dbraw/zinc/16/72/35/176167235.db2.gz QRABICHAEBIDEA-JHZNUDOXSA-N 2 1 222.376 2.226 20 0 BEADMP C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000051732499 176168917 /nfs/dbraw/zinc/16/89/17/176168917.db2.gz LFIJCLZCMNVQIZ-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336717144 176217670 /nfs/dbraw/zinc/21/76/70/176217670.db2.gz XUVHLWQQVGGQPA-XQHKEYJVSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000300239966 176227107 /nfs/dbraw/zinc/22/71/07/176227107.db2.gz BTVIILDGYXBOIG-YIYPIFLZSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000335550951 176236760 /nfs/dbraw/zinc/23/67/60/176236760.db2.gz UKFQQRMNMRNFFE-ZWNOBZJWSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000336781259 176268435 /nfs/dbraw/zinc/26/84/35/176268435.db2.gz UEXONEOUPWBHFP-AGIUHOORSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCSC1 ZINC000304519494 176269224 /nfs/dbraw/zinc/26/92/24/176269224.db2.gz PEYPHDYBPMHZBG-UPJWGTAASA-N 2 1 242.432 2.059 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1 ZINC000073653773 176269440 /nfs/dbraw/zinc/26/94/40/176269440.db2.gz IOHGIIBXOUYHLW-OCCSQVGLSA-N 2 1 218.344 2.116 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000304519490 176270842 /nfs/dbraw/zinc/27/08/42/176270842.db2.gz PEYPHDYBPMHZBG-FRRDWIJNSA-N 2 1 242.432 2.059 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCCS1 ZINC000336781261 176271140 /nfs/dbraw/zinc/27/11/40/176271140.db2.gz UEXONEOUPWBHFP-JHJVBQTASA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000336781260 176271292 /nfs/dbraw/zinc/27/12/92/176271292.db2.gz UEXONEOUPWBHFP-FRRDWIJNSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CCCC1 ZINC000036908585 176278590 /nfs/dbraw/zinc/27/85/90/176278590.db2.gz ADPPVWLZEVORLJ-YRGRVCCFSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1F ZINC000340525358 176279279 /nfs/dbraw/zinc/27/92/79/176279279.db2.gz GWPMVDISSALGBP-VEGXAWMVSA-N 2 1 228.355 2.195 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1F ZINC000340525358 176279280 /nfs/dbraw/zinc/27/92/80/176279280.db2.gz GWPMVDISSALGBP-VEGXAWMVSA-N 2 1 228.355 2.195 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CC1(C)C ZINC000045117136 176279708 /nfs/dbraw/zinc/27/97/08/176279708.db2.gz XOLBYBXNFITZAE-DDHJBXDOSA-N 2 1 210.365 2.103 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000300230003 176279741 /nfs/dbraw/zinc/27/97/41/176279741.db2.gz NPCBEIXOGQZEPK-FVCCEPFGSA-N 2 1 242.432 2.058 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCCc2ccccn2)CC[N@H+]1C ZINC000181493624 176375398 /nfs/dbraw/zinc/37/53/98/176375398.db2.gz CUCFFOIDOBUUEB-HIFRSBDPSA-N 2 1 247.386 2.087 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCC(C)(F)F)CC[N@H+]1C ZINC000357715630 176375623 /nfs/dbraw/zinc/37/56/23/176375623.db2.gz YFXHLOLOXMWKNZ-ZJUUUORDSA-N 2 1 220.307 2.104 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCSC2)CC[N@H+]1C ZINC000304332844 176376653 /nfs/dbraw/zinc/37/66/53/176376653.db2.gz AOMXGNCCYIVOQJ-UPJWGTAASA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC23CCC3)CC[N@@H+]1C ZINC000336742859 176378763 /nfs/dbraw/zinc/37/87/63/176378763.db2.gz ORCZDNJNZWHDPL-AGIUHOORSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC23CCC3)CC[N@H+]1C ZINC000336742859 176378765 /nfs/dbraw/zinc/37/87/65/176378765.db2.gz ORCZDNJNZWHDPL-AGIUHOORSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000339406331 176391946 /nfs/dbraw/zinc/39/19/46/176391946.db2.gz GEGUPNWLMMYFKQ-UKRRQHHQSA-N 2 1 232.371 2.493 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+]CC[N@H+](C)C1CCCC1 ZINC000336763594 176396715 /nfs/dbraw/zinc/39/67/15/176396715.db2.gz PIXQRWCWNSTMRL-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000336763594 176396716 /nfs/dbraw/zinc/39/67/16/176396716.db2.gz PIXQRWCWNSTMRL-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H](c1cccc(F)c1)[NH+]1CCC([NH3+])CC1 ZINC000020521416 177036692 /nfs/dbraw/zinc/03/66/92/177036692.db2.gz XDVCVLAQZMSCTG-SNVBAGLBSA-N 2 1 222.307 2.310 20 0 BEADMP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000031993135 177038442 /nfs/dbraw/zinc/03/84/42/177038442.db2.gz XMRFBZGJZDPMJZ-YPMHNXCESA-N 2 1 204.317 2.171 20 0 BEADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000031993135 177038443 /nfs/dbraw/zinc/03/84/43/177038443.db2.gz XMRFBZGJZDPMJZ-YPMHNXCESA-N 2 1 204.317 2.171 20 0 BEADMP C[C@H](c1cccnc1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000265915995 177045461 /nfs/dbraw/zinc/04/54/61/177045461.db2.gz BISOGZVZYBOYSU-KGLIPLIRSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@H](c1cccnc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000265915995 177045467 /nfs/dbraw/zinc/04/54/67/177045467.db2.gz BISOGZVZYBOYSU-KGLIPLIRSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@H](c1cccnc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000265915995 177045470 /nfs/dbraw/zinc/04/54/70/177045470.db2.gz BISOGZVZYBOYSU-KGLIPLIRSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@H]1CCCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335607809 177088906 /nfs/dbraw/zinc/08/89/06/177088906.db2.gz HVBMYMZDXBTGKI-GXTWGEPZSA-N 2 1 222.376 2.417 20 0 BEADMP C[C@H]1CC[N@H+](CCCCCF)[C@@H](C[NH3+])C1 ZINC000336672705 177161150 /nfs/dbraw/zinc/16/11/50/177161150.db2.gz GKQMIMNFQNLYTN-NWDGAFQWSA-N 2 1 216.344 2.185 20 0 BEADMP C[C@H]1CC[N@@H+](CCCCCF)[C@@H](C[NH3+])C1 ZINC000336672705 177161151 /nfs/dbraw/zinc/16/11/51/177161151.db2.gz GKQMIMNFQNLYTN-NWDGAFQWSA-N 2 1 216.344 2.185 20 0 BEADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000333233303 177174672 /nfs/dbraw/zinc/17/46/72/177174672.db2.gz CMBMBPCCUGIBCH-GXFFZTMASA-N 2 1 249.358 2.030 20 0 BEADMP C[C@H](Cc1ccccc1)C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000340693006 177258251 /nfs/dbraw/zinc/25/82/51/177258251.db2.gz WXKOYBGDRLIFOZ-IPYPFGDCSA-N 2 1 232.371 2.144 20 0 BEADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000300239965 177332800 /nfs/dbraw/zinc/33/28/00/177332800.db2.gz BTVIILDGYXBOIG-RFGFWPKPSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]1C[C@H](C[N@H+]2CCC3(CCC3)C2)CC[NH2+]1 ZINC000335664644 177362480 /nfs/dbraw/zinc/36/24/80/177362480.db2.gz VXCSALFNQBQIIH-QWHCGFSZSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CCc2cccs2)CC[N@H+]1C ZINC000129658839 177370374 /nfs/dbraw/zinc/37/03/74/177370374.db2.gz YHDATGJFMAUXTB-NWDGAFQWSA-N 2 1 238.400 2.363 20 0 BEADMP C[C@H]1C[C@H]1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000488320626 225371756 /nfs/dbraw/zinc/37/17/56/225371756.db2.gz MRGLOPBFEBKOIE-JSGCOSHPSA-N 2 1 247.386 2.331 20 0 BEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCSC2)CC[N@@H+]1C ZINC000494935431 226271773 /nfs/dbraw/zinc/27/17/73/226271773.db2.gz JBINGDDRCVPLPM-AGIUHOORSA-N 2 1 242.432 2.154 20 0 BEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCSC2)CC[N@H+]1C ZINC000494935431 226271774 /nfs/dbraw/zinc/27/17/74/226271774.db2.gz JBINGDDRCVPLPM-AGIUHOORSA-N 2 1 242.432 2.154 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCSC2)CC[NH+]1C ZINC000494935431 226271775 /nfs/dbraw/zinc/27/17/75/226271775.db2.gz JBINGDDRCVPLPM-AGIUHOORSA-N 2 1 242.432 2.154 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCSC2)CC[NH+]1C ZINC000494935431 226271776 /nfs/dbraw/zinc/27/17/76/226271776.db2.gz JBINGDDRCVPLPM-AGIUHOORSA-N 2 1 242.432 2.154 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CCc2c[nH+]cn2C)[C@H](C)C1 ZINC000401729736 226361780 /nfs/dbraw/zinc/36/17/80/226361780.db2.gz AUIOTEAZEZMGES-YRGRVCCFSA-N 2 1 235.375 2.377 20 0 BEADMP C[C@H]1CCC[C@H](C)C1[NH2+]CCc1c[nH+]cn1C ZINC000401874798 226362745 /nfs/dbraw/zinc/36/27/45/226362745.db2.gz MTLSMVKPHNBLIG-RYUDHWBXSA-N 2 1 235.375 2.377 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000307576056 229216354 /nfs/dbraw/zinc/21/63/54/229216354.db2.gz LWVSSRANZONVSB-IPYPFGDCSA-N 2 1 232.371 2.492 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C[NH3+] ZINC000307576062 229216441 /nfs/dbraw/zinc/21/64/41/229216441.db2.gz LWVSSRANZONVSB-VNHYZAJKSA-N 2 1 232.371 2.492 20 0 BEADMP C[C@H]([NH2+]CCCOc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400535498 229240356 /nfs/dbraw/zinc/24/03/56/229240356.db2.gz TURPPNSMMLATKA-ZFWWWQNUSA-N 2 1 248.370 2.186 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCCC12CCCC2 ZINC000308882332 229256144 /nfs/dbraw/zinc/25/61/44/229256144.db2.gz DLGZFHSEOREELO-RYUDHWBXSA-N 2 1 210.365 2.426 20 0 BEADMP C[C@H]1CC([NH2+][C@H]2C[NH2+]C[C@@H](C)C2)C[C@H](C)C1 ZINC000401708711 487682972 /nfs/dbraw/zinc/68/29/72/487682972.db2.gz CSACSSPBWCYWDH-NRWUCQMLSA-N 2 1 224.392 2.399 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc2ncccc2c1 ZINC000414786929 487683504 /nfs/dbraw/zinc/68/35/04/487683504.db2.gz BYFXLOGXWSPRSU-AWEZNQCLSA-N 2 1 243.354 2.308 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc2ncccc2c1 ZINC000414786930 487683607 /nfs/dbraw/zinc/68/36/07/487683607.db2.gz BYFXLOGXWSPRSU-CQSZACIVSA-N 2 1 243.354 2.308 20 0 BEADMP CC(C)CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000096997296 487684866 /nfs/dbraw/zinc/68/48/66/487684866.db2.gz RUAKSIVNWNHGAX-ZDUSSCGKSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC000414838043 487694054 /nfs/dbraw/zinc/69/40/54/487694054.db2.gz YJHRLQGDOZLHCT-QWHCGFSZSA-N 2 1 212.381 2.400 20 0 BEADMP c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccn1 ZINC000250163504 487727530 /nfs/dbraw/zinc/72/75/30/487727530.db2.gz IQBRZZXSXZGHJP-HUUCEWRRSA-N 2 1 245.370 2.046 20 0 BEADMP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccn1 ZINC000250163504 487727536 /nfs/dbraw/zinc/72/75/36/487727536.db2.gz IQBRZZXSXZGHJP-HUUCEWRRSA-N 2 1 245.370 2.046 20 0 BEADMP FC(F)C1CC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000681112197 487730644 /nfs/dbraw/zinc/73/06/44/487730644.db2.gz BTCWWZWMLVIQLK-ADPBJBESSA-N 2 1 244.329 2.247 20 0 BEADMP C[C@H](c1ccncc1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251266704 487752862 /nfs/dbraw/zinc/75/28/62/487752862.db2.gz MUUPRRMLDMJSTE-OUCADQQQSA-N 2 1 233.359 2.202 20 0 BEADMP CC(C)[C@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000251329699 487753839 /nfs/dbraw/zinc/75/38/39/487753839.db2.gz NYNXRHISTOGBHF-QWHCGFSZSA-N 2 1 210.365 2.106 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251363588 487754702 /nfs/dbraw/zinc/75/47/02/487754702.db2.gz SQABZFBHKYFATE-YNEHKIRRSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CC1(F)F ZINC000666228488 487764848 /nfs/dbraw/zinc/76/48/48/487764848.db2.gz RSVNBEPZHANCJL-YTWAJWBKSA-N 2 1 232.318 2.102 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CC1(F)F ZINC000666228488 487764852 /nfs/dbraw/zinc/76/48/52/487764852.db2.gz RSVNBEPZHANCJL-YTWAJWBKSA-N 2 1 232.318 2.102 20 0 BEADMP C[C@H](c1ccccc1)[N@H+](C)CC(C)(C)[NH3+] ZINC000106887162 487775025 /nfs/dbraw/zinc/77/50/25/487775025.db2.gz DNNQAMXXZGWGSZ-LLVKDONJSA-N 2 1 206.333 2.417 20 0 BEADMP C[C@H](c1ccccc1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000106887162 487775032 /nfs/dbraw/zinc/77/50/32/487775032.db2.gz DNNQAMXXZGWGSZ-LLVKDONJSA-N 2 1 206.333 2.417 20 0 BEADMP CC[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675882030 487786476 /nfs/dbraw/zinc/78/64/76/487786476.db2.gz PTBLSTWCUOVZNM-OCCSQVGLSA-N 2 1 240.391 2.018 20 0 BEADMP C[N@@H+](CCC(C)(C)C)C[C@H]1CCC[NH2+]C1 ZINC000234288896 487793271 /nfs/dbraw/zinc/79/32/71/487793271.db2.gz UGKUOSXWTQCFPD-LBPRGKRZSA-N 2 1 212.381 2.354 20 0 BEADMP CC[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1[NH3+] ZINC000251935414 487808437 /nfs/dbraw/zinc/80/84/37/487808437.db2.gz ZRNVHNGETJENMA-VXGBXAGGSA-N 2 1 212.381 2.482 20 0 BEADMP CC[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1[NH3+] ZINC000251935413 487808562 /nfs/dbraw/zinc/80/85/62/487808562.db2.gz ZRNVHNGETJENMA-NWDGAFQWSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CS1 ZINC000322749039 487821628 /nfs/dbraw/zinc/82/16/28/487821628.db2.gz WWRJRMKDDPJEJO-FOJMLEQCSA-N 2 1 240.416 2.095 20 0 BEADMP CC[N@@H+](CCC[NH3+])[C@@H](C)Cc1ccsc1 ZINC000414759526 487822848 /nfs/dbraw/zinc/82/28/48/487822848.db2.gz OQECBDWIVNABMI-NSHDSACASA-N 2 1 226.389 2.350 20 0 BEADMP CC[C@@H]1C[N@@H+](CCCCCC[NH3+])CCS1 ZINC000133055775 591760915 /nfs/dbraw/zinc/76/09/15/591760915.db2.gz FBQIGRVPGNITEO-GFCCVEGCSA-N 2 1 230.421 2.333 20 0 BEADMP CC[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000167307235 487853282 /nfs/dbraw/zinc/85/32/82/487853282.db2.gz DMQWULWDXFDCLB-GHMZBOCLSA-N 2 1 209.337 2.216 20 0 BEADMP CCc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)s1 ZINC000666746305 487870874 /nfs/dbraw/zinc/87/08/74/487870874.db2.gz FIGILYGJJMLQQZ-LBPRGKRZSA-N 2 1 224.373 2.137 20 0 BEADMP CC(C)([NH3+])C[NH2+]Cc1ccc2cnccc2c1 ZINC000666752839 487872133 /nfs/dbraw/zinc/87/21/33/487872133.db2.gz ZGOWMMLNDBHCDL-UHFFFAOYSA-N 2 1 229.327 2.062 20 0 BEADMP CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770542 487877727 /nfs/dbraw/zinc/87/77/27/487877727.db2.gz IKEQDHPSAHMUGU-CHWSQXEVSA-N 2 1 212.381 2.400 20 0 BEADMP Fc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1F ZINC000666855148 487890860 /nfs/dbraw/zinc/89/08/60/487890860.db2.gz AHBRMROHSIMRLP-LLVKDONJSA-N 2 1 240.297 2.197 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@@](C)(C[NH3+])C1)C(C)(C)C ZINC000309053397 487892198 /nfs/dbraw/zinc/89/21/98/487892198.db2.gz RFIXVGIHCQSDLY-AAEUAGOBSA-N 2 1 212.381 2.339 20 0 BEADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)C(C)(C)C ZINC000666861441 487893197 /nfs/dbraw/zinc/89/31/97/487893197.db2.gz ZDGUFAZGCXWFEA-IJLUTSLNSA-N 2 1 212.381 2.256 20 0 BEADMP CN1CC(C[N@@H+](C)C/C=C\c2ccc(F)cc2)C1 ZINC000668539737 487905363 /nfs/dbraw/zinc/90/53/63/487905363.db2.gz KHHPBNLKDGVILH-ARJAWSKDSA-N 2 1 248.345 2.332 20 0 BEADMP C[C@H]1CCC[N@@H+](Cc2cccc(O)c2)[C@@H]1CC[NH3+] ZINC000404294061 487917021 /nfs/dbraw/zinc/91/70/21/487917021.db2.gz MROAIQNFCHFBPZ-SWLSCSKDSA-N 2 1 248.370 2.342 20 0 BEADMP CC1(C)CCC[N@@H+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000083680594 487927773 /nfs/dbraw/zinc/92/77/73/487927773.db2.gz PCSQBOQVHJAHHA-GFCCVEGCSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@H]1C[C@H](C)[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000157983117 487931841 /nfs/dbraw/zinc/93/18/41/487931841.db2.gz PZDUFOJIIZFIPY-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000562860785 323032218 /nfs/dbraw/zinc/03/22/18/323032218.db2.gz IPAPRUBREFIBSG-KBPBESRZSA-N 2 1 247.386 2.382 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCC23CC3)CC1 ZINC000569710116 323038064 /nfs/dbraw/zinc/03/80/64/323038064.db2.gz NCNVSZFXZIJSBN-ZDUSSCGKSA-N 2 1 220.360 2.171 20 0 BEADMP Cc1nc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)sc1C ZINC000570106710 323050124 /nfs/dbraw/zinc/05/01/24/323050124.db2.gz OLWNZPHCRQSEBG-WDEREUQCSA-N 2 1 239.388 2.119 20 0 BEADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccoc1 ZINC000570709442 323067967 /nfs/dbraw/zinc/06/79/67/323067967.db2.gz ZNCVRULUJCPOGG-SDDRHHMPSA-N 2 1 222.332 2.318 20 0 BEADMP Cc1cccnc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397254632 323077386 /nfs/dbraw/zinc/07/73/86/323077386.db2.gz FAYJGITWBMYPMX-MCIONIFRSA-N 2 1 247.386 2.195 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC[N@H+]1C ZINC000403838005 323128267 /nfs/dbraw/zinc/12/82/67/323128267.db2.gz OQUSEYLSOIFDGP-ARILJUKYSA-N 2 1 236.403 2.495 20 0 BEADMP Cc1[nH+]ccn1CCCOc1ccccc1C[NH3+] ZINC000037050489 323151764 /nfs/dbraw/zinc/15/17/64/323151764.db2.gz GUQZBLBWMCJPSL-UHFFFAOYSA-N 2 1 245.326 2.119 20 0 BEADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1C ZINC000216060212 323195183 /nfs/dbraw/zinc/19/51/83/323195183.db2.gz HVAODTRYECNVOX-GXTWGEPZSA-N 2 1 248.370 2.173 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@@H+](C)C1CC(C)(C)C1 ZINC000395463568 323227474 /nfs/dbraw/zinc/22/74/74/323227474.db2.gz PYDWFMCRJYLYMY-NSHDSACASA-N 2 1 212.381 2.480 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC1CC(C)(C)C1 ZINC000530225304 323219016 /nfs/dbraw/zinc/21/90/16/323219016.db2.gz VNGCNHGMVONRSI-PWSUYJOCSA-N 2 1 210.365 2.234 20 0 BEADMP CC[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043326376 323272999 /nfs/dbraw/zinc/27/29/99/323272999.db2.gz LNYMFBWFLGQALI-YNEHKIRRSA-N 2 1 210.365 2.297 20 0 BEADMP C1CC(C([NH2+][C@@H]2CCC[NH2+]C2)C2CCC2)C1 ZINC000324992591 323307053 /nfs/dbraw/zinc/30/70/53/323307053.db2.gz WXMXNSKCCCLPFV-CYBMUJFWSA-N 2 1 222.376 2.297 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccoc1 ZINC000309228528 323330717 /nfs/dbraw/zinc/33/07/17/323330717.db2.gz SJSVREPEASJTHQ-JTQLQIEISA-N 2 1 219.288 2.135 20 0 BEADMP CC1(C)CCC[C@@H](C[N@@H+]2CC[C@@H]([NH3+])C2)C1 ZINC000309399075 323372807 /nfs/dbraw/zinc/37/28/07/323372807.db2.gz HDNIWVNUKKYEIR-VXGBXAGGSA-N 2 1 210.365 2.236 20 0 BEADMP CC1(C)CCC[C@@H](C[N@H+]2CC[C@@H]([NH3+])C2)C1 ZINC000309399075 323372809 /nfs/dbraw/zinc/37/28/09/323372809.db2.gz HDNIWVNUKKYEIR-VXGBXAGGSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](CC2CCCC2)C[C@H]1C[NH3+] ZINC000397331363 324212361 /nfs/dbraw/zinc/21/23/61/324212361.db2.gz RBIVBSCRVIAOEI-MBNYWOFBSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CS1 ZINC000227502139 487962820 /nfs/dbraw/zinc/96/28/20/487962820.db2.gz CUGZNQJZDZAWFE-XQHKEYJVSA-N 2 1 240.416 2.097 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CS1 ZINC000227502139 487962828 /nfs/dbraw/zinc/96/28/28/487962828.db2.gz CUGZNQJZDZAWFE-XQHKEYJVSA-N 2 1 240.416 2.097 20 0 BEADMP CC[N@H+](CC[NH3+])[C@H]1CCCc2ccccc21 ZINC000115307159 487966753 /nfs/dbraw/zinc/96/67/53/487966753.db2.gz LGNANIOUQPKEKX-AWEZNQCLSA-N 2 1 218.344 2.345 20 0 BEADMP CC[N@@H+](CC[NH3+])[C@H]1CCCc2ccccc21 ZINC000115307159 487966757 /nfs/dbraw/zinc/96/67/57/487966757.db2.gz LGNANIOUQPKEKX-AWEZNQCLSA-N 2 1 218.344 2.345 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CSC[C@H]2C)C1 ZINC000304365272 325146245 /nfs/dbraw/zinc/14/62/45/325146245.db2.gz FFYHAEMWNOEDRZ-UPJWGTAASA-N 2 1 242.432 2.058 20 0 BEADMP CC[C@H]1C[N@@H+](Cc2ccsc2)CC[C@@H]1[NH3+] ZINC000122221437 487969136 /nfs/dbraw/zinc/96/91/36/487969136.db2.gz IKDYGKRRAHYDRX-RYUDHWBXSA-N 2 1 224.373 2.307 20 0 BEADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccccc1F ZINC000564822545 325812340 /nfs/dbraw/zinc/81/23/40/325812340.db2.gz NKDQRXLXEAFZIE-LLVKDONJSA-N 2 1 224.323 2.476 20 0 BEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000565781993 325957239 /nfs/dbraw/zinc/95/72/39/325957239.db2.gz BFPOTFNFIRNMJE-KWCYVHTRSA-N 2 1 233.359 2.131 20 0 BEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000566423926 326044464 /nfs/dbraw/zinc/04/44/64/326044464.db2.gz HBMZFTLUQXNDDS-CQSZACIVSA-N 2 1 247.386 2.475 20 0 BEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](CC2CC2)C1 ZINC000566423926 326044465 /nfs/dbraw/zinc/04/44/65/326044465.db2.gz HBMZFTLUQXNDDS-CQSZACIVSA-N 2 1 247.386 2.475 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000567034175 326104352 /nfs/dbraw/zinc/10/43/52/326104352.db2.gz URDZZDBQTPTXDK-MCIONIFRSA-N 2 1 242.407 2.264 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000567034175 326104355 /nfs/dbraw/zinc/10/43/55/326104355.db2.gz URDZZDBQTPTXDK-MCIONIFRSA-N 2 1 242.407 2.264 20 0 BEADMP C[NH+]1CCC([C@H]2CC[N@@H+](CC3(C)CC3)C2)CC1 ZINC000567399472 326183293 /nfs/dbraw/zinc/18/32/93/326183293.db2.gz DZRPBKBGEPWJFB-AWEZNQCLSA-N 2 1 236.403 2.450 20 0 BEADMP COCC[C@H](C)[NH2+]C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000155979367 326215955 /nfs/dbraw/zinc/21/59/55/326215955.db2.gz CTOXVWXNDSBLDW-IHRRRGAJSA-N 2 1 242.407 2.121 20 0 BEADMP COCC[C@H](C)[NH2+]C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000155979367 326215957 /nfs/dbraw/zinc/21/59/57/326215957.db2.gz CTOXVWXNDSBLDW-IHRRRGAJSA-N 2 1 242.407 2.121 20 0 BEADMP c1cc2cc(C[NH2+]CCC[NH+]3CCC3)ccc2[nH]1 ZINC000568236325 326331908 /nfs/dbraw/zinc/33/19/08/326331908.db2.gz HYTPFDSYGMRCRB-UHFFFAOYSA-N 2 1 243.354 2.353 20 0 BEADMP CCc1[nH+]ccn1C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000568856922 326379474 /nfs/dbraw/zinc/37/94/74/326379474.db2.gz ATTHPHNDAPKHEL-HAQNSBGRSA-N 2 1 221.348 2.211 20 0 BEADMP Cn1ccnc1[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC000569235842 326396871 /nfs/dbraw/zinc/39/68/71/326396871.db2.gz ZWEPABXFLNUYBA-GFCCVEGCSA-N 2 1 219.332 2.010 20 0 BEADMP COC(C)(C)CC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000682528933 487977390 /nfs/dbraw/zinc/97/73/90/487977390.db2.gz FBZDEBMAUZQJPE-CYBMUJFWSA-N 2 1 242.407 2.264 20 0 BEADMP COC(C)(C)CC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000682528933 487977392 /nfs/dbraw/zinc/97/73/92/487977392.db2.gz FBZDEBMAUZQJPE-CYBMUJFWSA-N 2 1 242.407 2.264 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000677236877 488004099 /nfs/dbraw/zinc/00/40/99/488004099.db2.gz VLBTZYFYIMMGPE-KBPBESRZSA-N 2 1 248.370 2.347 20 0 BEADMP CC[C@H]1C[N@@H+](CCCc2ccc(C)nc2)C[C@@H]1O ZINC000353816856 488021039 /nfs/dbraw/zinc/02/10/39/488021039.db2.gz QALDHSSYSUFAKN-GJZGRUSLSA-N 2 1 248.370 2.025 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000663510188 488055031 /nfs/dbraw/zinc/05/50/31/488055031.db2.gz CQIYDFMYWMCUDB-WDEREUQCSA-N 2 1 240.778 2.469 20 0 BEADMP CC1(C)CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000083680581 488071311 /nfs/dbraw/zinc/07/13/11/488071311.db2.gz JLAKXLNUTQUAGH-ZDUSSCGKSA-N 2 1 224.392 2.498 20 0 BEADMP CC1(C)CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000083680606 488071467 /nfs/dbraw/zinc/07/14/67/488071467.db2.gz SJANSWZUICGECL-UHFFFAOYSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000667650032 488072396 /nfs/dbraw/zinc/07/23/96/488072396.db2.gz KCMXAFSYWUAFBH-NEPJUHHUSA-N 2 1 233.359 2.450 20 0 BEADMP Cc1ncc(C[N@@H+]2CC[C@H](C)[C@H](C)C2)n1C ZINC000667649648 488073247 /nfs/dbraw/zinc/07/32/47/488073247.db2.gz ZPDPZCTXZTZVPH-WDEREUQCSA-N 2 1 221.348 2.206 20 0 BEADMP Cc1ncc(C[N@H+]2C[C@H](C)CC[C@H]2C)n1C ZINC000667650363 488073293 /nfs/dbraw/zinc/07/32/93/488073293.db2.gz VRLAMHKETDPMAM-GHMZBOCLSA-N 2 1 221.348 2.349 20 0 BEADMP Cc1ncc(C[N@H+](C(C)C)C2CCC2)n1C ZINC000667664780 488080120 /nfs/dbraw/zinc/08/01/20/488080120.db2.gz SJHFXJHCGBCHBA-UHFFFAOYSA-N 2 1 221.348 2.491 20 0 BEADMP C[C@@H](c1ccncc1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257687939 488081776 /nfs/dbraw/zinc/08/17/76/488081776.db2.gz IMCQKJDRNOILEF-ZFWWWQNUSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@@H](c1ccncc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257687939 488081783 /nfs/dbraw/zinc/08/17/83/488081783.db2.gz IMCQKJDRNOILEF-ZFWWWQNUSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@@H](c1ccccn1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257700545 488082488 /nfs/dbraw/zinc/08/24/88/488082488.db2.gz LGJBDSCWYLDNPS-DZGCQCFKSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@@H](c1ccccn1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257700545 488082491 /nfs/dbraw/zinc/08/24/91/488082491.db2.gz LGJBDSCWYLDNPS-DZGCQCFKSA-N 2 1 245.370 2.218 20 0 BEADMP Cc1ncc(C[N@H+](C)[C@@H](C)C2(C)CC2)n1C ZINC000667695751 488089993 /nfs/dbraw/zinc/08/99/93/488089993.db2.gz APYXNFYSLSNNLK-JTQLQIEISA-N 2 1 221.348 2.349 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000403451163 488124574 /nfs/dbraw/zinc/12/45/74/488124574.db2.gz GBJDAVBNRVNALV-QMIVOQANSA-N 2 1 234.387 2.249 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667820181 488129074 /nfs/dbraw/zinc/12/90/74/488129074.db2.gz RJOHMYOFTQJNCL-LJISPDSOSA-N 2 1 236.403 2.497 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667820180 488129203 /nfs/dbraw/zinc/12/92/03/488129203.db2.gz RJOHMYOFTQJNCL-KBXIAJHMSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1ccc(CC[N@@H+](C)CC(C)(C)[NH3+])cc1 ZINC000258756719 488132501 /nfs/dbraw/zinc/13/25/01/488132501.db2.gz GXIPRLPNEMCUOC-UHFFFAOYSA-N 2 1 220.360 2.207 20 0 BEADMP Cc1ccc(CC[N@H+](C)CC(C)(C)[NH3+])cc1 ZINC000258756719 488132506 /nfs/dbraw/zinc/13/25/06/488132506.db2.gz GXIPRLPNEMCUOC-UHFFFAOYSA-N 2 1 220.360 2.207 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000382114113 487531387 /nfs/dbraw/zinc/53/13/87/487531387.db2.gz LOBJZUAVAZXHEG-CRWXNKLISA-N 2 1 222.376 2.106 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000382102340 487531855 /nfs/dbraw/zinc/53/18/55/487531855.db2.gz HBHQISNRUMLMLV-RFQIPJPRSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@H]1C ZINC000086015087 487471554 /nfs/dbraw/zinc/47/15/54/487471554.db2.gz OPUDMVATMFGQCF-BETUJISGSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000405986321 487494410 /nfs/dbraw/zinc/49/44/10/487494410.db2.gz CFSYSZQOHFTZDA-RYUDHWBXSA-N 2 1 224.392 2.482 20 0 BEADMP CC(C)(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1CC1 ZINC000406061569 487498801 /nfs/dbraw/zinc/49/88/01/487498801.db2.gz MTUCMTCYLGWUTJ-OCCSQVGLSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1CC1 ZINC000406061569 487498806 /nfs/dbraw/zinc/49/88/06/487498806.db2.gz MTUCMTCYLGWUTJ-OCCSQVGLSA-N 2 1 236.403 2.497 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000304585677 487511497 /nfs/dbraw/zinc/51/14/97/487511497.db2.gz OSHFETMEHCKCDC-RFQIPJPRSA-N 2 1 224.392 2.495 20 0 BEADMP c1cc2cc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)ccc2o1 ZINC000685420855 487519666 /nfs/dbraw/zinc/51/96/66/487519666.db2.gz SNDVWOWSYAKYFH-ZIAGYGMSSA-N 2 1 242.322 2.084 20 0 BEADMP CC[C@@H](CC(F)F)C[N@@H+](C)C1CC([NH3+])C1 ZINC000662274263 487523272 /nfs/dbraw/zinc/52/32/72/487523272.db2.gz SJSIHNYCMFDKSY-IDKOKCKLSA-N 2 1 220.307 2.089 20 0 BEADMP CCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000249907249 487725968 /nfs/dbraw/zinc/72/59/68/487725968.db2.gz YXOKMQJJFIBUQN-QWHCGFSZSA-N 2 1 210.365 2.251 20 0 BEADMP Cc1ccc(CCC[N@H+]2CCC3(COC3)C2)cn1 ZINC000668720341 488163107 /nfs/dbraw/zinc/16/31/07/488163107.db2.gz RRFWCWIFAUYXCH-UHFFFAOYSA-N 2 1 246.354 2.045 20 0 BEADMP C[C@H](C[N@@H+](C)C1CC[NH2+]CC1)C(C)(C)C ZINC000399423752 488189225 /nfs/dbraw/zinc/18/92/25/488189225.db2.gz CFPJCWZBDXFLRJ-LLVKDONJSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H](CCC1CC1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000398109429 488211118 /nfs/dbraw/zinc/21/11/18/488211118.db2.gz WTLQOFJIVZDXAG-WCQYABFASA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](CCC2CCC2)C[C@H]1C[NH3+] ZINC000398899101 488225435 /nfs/dbraw/zinc/22/54/35/488225435.db2.gz HDQKYRDYWUNLJW-MBNYWOFBSA-N 2 1 224.392 2.482 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)c(C)n1 ZINC000678411727 488252261 /nfs/dbraw/zinc/25/22/61/488252261.db2.gz KOTYFKWDLDWACV-CYBMUJFWSA-N 2 1 247.386 2.443 20 0 BEADMP Cc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000459723581 490132926 /nfs/dbraw/zinc/13/29/26/490132926.db2.gz AERBXNWYGILKDD-AWEZNQCLSA-N 2 1 247.386 2.212 20 0 BEADMP CCC(CC)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000130292437 490348816 /nfs/dbraw/zinc/34/88/16/490348816.db2.gz KCVBACQEBQFVGP-LBPRGKRZSA-N 2 1 200.370 2.386 20 0 BEADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000091661371 491131319 /nfs/dbraw/zinc/13/13/19/491131319.db2.gz NXTTUVKXLPTAPV-TZMCWYRMSA-N 2 1 247.386 2.389 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCS[C@H]2C)[C@H](C)C1 ZINC000309630425 491153219 /nfs/dbraw/zinc/15/32/19/491153219.db2.gz HPUFBJRJMFHBPT-MROQNXINSA-N 2 1 242.432 2.200 20 0 BEADMP CC[C@@H]([NH2+][C@@H](C)C[NH+](CC)CC)C1CC1 ZINC000083056251 491159566 /nfs/dbraw/zinc/15/95/66/491159566.db2.gz VYUAPOKDVNQJEZ-WCQYABFASA-N 2 1 212.381 2.495 20 0 BEADMP CCCCCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000757133898 582510554 /nfs/dbraw/zinc/51/05/54/582510554.db2.gz VNRGNTWZFCVROR-ZDUSSCGKSA-N 2 1 210.365 2.395 20 0 BEADMP CCCCCC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000757133898 582510555 /nfs/dbraw/zinc/51/05/55/582510555.db2.gz VNRGNTWZFCVROR-ZDUSSCGKSA-N 2 1 210.365 2.395 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000488443243 533728707 /nfs/dbraw/zinc/72/87/07/533728707.db2.gz GIEADNHWCORHJV-BPLDGKMQSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000488443243 533728725 /nfs/dbraw/zinc/72/87/25/533728725.db2.gz GIEADNHWCORHJV-BPLDGKMQSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000401874795 533831142 /nfs/dbraw/zinc/83/11/42/533831142.db2.gz MTLSMVKPHNBLIG-IMRBUKKESA-N 2 1 235.375 2.377 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424377037 534018861 /nfs/dbraw/zinc/01/88/61/534018861.db2.gz LPAQFAIXCILICM-UPJWGTAASA-N 2 1 222.376 2.106 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424377029 534019346 /nfs/dbraw/zinc/01/93/46/534019346.db2.gz LPAQFAIXCILICM-AGIUHOORSA-N 2 1 222.376 2.106 20 0 BEADMP CC[C@@]1(C)CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000892144228 582800573 /nfs/dbraw/zinc/80/05/73/582800573.db2.gz MNSJGBQPFKDHBP-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@H]2C)C[C@@H]1C ZINC000488302149 527833421 /nfs/dbraw/zinc/83/34/21/527833421.db2.gz SEQJWIANPMUGFG-RFGFWPKPSA-N 2 1 224.392 2.447 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2C[C@H]2C)C[C@@H]1C ZINC000488302149 527833424 /nfs/dbraw/zinc/83/34/24/527833424.db2.gz SEQJWIANPMUGFG-RFGFWPKPSA-N 2 1 224.392 2.447 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2C[C@H]2C)C[C@@H]1C ZINC000488302149 527833426 /nfs/dbraw/zinc/83/34/26/527833426.db2.gz SEQJWIANPMUGFG-RFGFWPKPSA-N 2 1 224.392 2.447 20 0 BEADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2C[C@H]2C)CC1 ZINC000488352569 528970938 /nfs/dbraw/zinc/97/09/38/528970938.db2.gz OMOWHIYRHSLJOI-NEPJUHHUSA-N 2 1 210.365 2.059 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2C[C@H]2C)CC1 ZINC000488352569 528970946 /nfs/dbraw/zinc/97/09/46/528970946.db2.gz OMOWHIYRHSLJOI-NEPJUHHUSA-N 2 1 210.365 2.059 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCCOC)C1 ZINC000178511359 534958978 /nfs/dbraw/zinc/95/89/78/534958978.db2.gz UDVZLZPBVDDEOP-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CC1(C)Cc2occc2[C@@H]([NH2+]CC2C[NH2+]C2)C1 ZINC000335553114 534962388 /nfs/dbraw/zinc/96/23/88/534962388.db2.gz VCDMGQSTXLTHBE-LBPRGKRZSA-N 2 1 234.343 2.102 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@H]1CCSC1 ZINC000226373791 535003317 /nfs/dbraw/zinc/00/33/17/535003317.db2.gz MRUJVNFTMJHXSL-GFCCVEGCSA-N 2 1 230.421 2.059 20 0 BEADMP CC(C)(C)[C@@H]([NH2+]CC[NH3+])c1ccccc1 ZINC000261531798 535055211 /nfs/dbraw/zinc/05/52/11/535055211.db2.gz HWZIVWXFEYRVJC-LBPRGKRZSA-N 2 1 206.333 2.322 20 0 BEADMP CC(C)([NH3+])C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000258928136 535209966 /nfs/dbraw/zinc/20/99/66/535209966.db2.gz VARHWHUMEQNCSI-UHFFFAOYSA-N 2 1 230.714 2.306 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000261550456 535350859 /nfs/dbraw/zinc/35/08/59/535350859.db2.gz PLYFTMNKMOBEGE-NEPJUHHUSA-N 2 1 212.381 2.482 20 0 BEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC000352003498 535585692 /nfs/dbraw/zinc/58/56/92/535585692.db2.gz LUVWPEWJXQQIMA-STQMWFEESA-N 2 1 230.371 2.398 20 0 BEADMP CC[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@H]([NH3+])C2)C1 ZINC000261555770 535820935 /nfs/dbraw/zinc/82/09/35/535820935.db2.gz VGSDJIONGWUPKW-UPJWGTAASA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H]([NH3+])C2)C1 ZINC000261555770 535820936 /nfs/dbraw/zinc/82/09/36/535820936.db2.gz VGSDJIONGWUPKW-UPJWGTAASA-N 2 1 210.365 2.236 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261576451 535936684 /nfs/dbraw/zinc/93/66/84/535936684.db2.gz NQMWSZNUDYXOOT-JKSUJKDBSA-N 2 1 244.382 2.433 20 0 BEADMP CCc1ccc(CC[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261704995 536170810 /nfs/dbraw/zinc/17/08/10/536170810.db2.gz LXCLGEKIBCTOHP-INIZCTEOSA-N 2 1 246.398 2.462 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1cc2ccccc2o1 ZINC000227743708 536342814 /nfs/dbraw/zinc/34/28/14/536342814.db2.gz NSIICAWOHWODRS-UHFFFAOYSA-N 2 1 218.300 2.213 20 0 BEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCSCC1 ZINC000335934797 536354320 /nfs/dbraw/zinc/35/43/20/536354320.db2.gz NEQWBPHGMLWJBK-CYBMUJFWSA-N 2 1 242.432 2.300 20 0 BEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCSCC1 ZINC000335934797 536354322 /nfs/dbraw/zinc/35/43/22/536354322.db2.gz NEQWBPHGMLWJBK-CYBMUJFWSA-N 2 1 242.432 2.300 20 0 BEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCCSCC1 ZINC000335934797 536354325 /nfs/dbraw/zinc/35/43/25/536354325.db2.gz NEQWBPHGMLWJBK-CYBMUJFWSA-N 2 1 242.432 2.300 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](C2CC2)C1 ZINC000348072812 536370254 /nfs/dbraw/zinc/37/02/54/536370254.db2.gz KVDDBXDTMMDJRG-UONOGXRCSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](C2CC2)C1 ZINC000348072812 536370255 /nfs/dbraw/zinc/37/02/55/536370255.db2.gz KVDDBXDTMMDJRG-UONOGXRCSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](C2CC2)C1 ZINC000348072812 536370257 /nfs/dbraw/zinc/37/02/57/536370257.db2.gz KVDDBXDTMMDJRG-UONOGXRCSA-N 2 1 222.376 2.203 20 0 BEADMP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000251777182 536592608 /nfs/dbraw/zinc/59/26/08/536592608.db2.gz FILYVAHYYKAPHM-YIYPIFLZSA-N 2 1 240.391 2.016 20 0 BEADMP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000251777182 536592619 /nfs/dbraw/zinc/59/26/19/536592619.db2.gz FILYVAHYYKAPHM-YIYPIFLZSA-N 2 1 240.391 2.016 20 0 BEADMP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000261593403 536901520 /nfs/dbraw/zinc/90/15/20/536901520.db2.gz WUAHUPUVSXPRJM-DCAQKATOSA-N 2 1 222.332 2.082 20 0 BEADMP C[C@@H]1CCSCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000894000698 583271508 /nfs/dbraw/zinc/27/15/08/583271508.db2.gz RYOGEZXFEPLNLS-GFCCVEGCSA-N 2 1 242.432 2.156 20 0 BEADMP C[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)CCS1 ZINC000894029883 583281430 /nfs/dbraw/zinc/28/14/30/583281430.db2.gz OATGVWYQRWQMDX-LBPRGKRZSA-N 2 1 242.432 2.156 20 0 BEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCC1SCCS1 ZINC000853022528 588716320 /nfs/dbraw/zinc/71/63/20/588716320.db2.gz ARKKNWVGIQETEA-SECBINFHSA-N 2 1 248.461 2.146 20 0 BEADMP Cc1cc([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1N ZINC000853248049 588729020 /nfs/dbraw/zinc/72/90/20/588729020.db2.gz KOYQUZYHEQIOCA-OUCADQQQSA-N 2 1 245.370 2.377 20 0 BEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1C=CCC1 ZINC000854221601 588780152 /nfs/dbraw/zinc/78/01/52/588780152.db2.gz PUHKGNZNWPCKQF-NWANDNLSSA-N 2 1 230.355 2.253 20 0 BEADMP CC(C)[N@@H+](CC1CC1)CC1CC[NH+](C)CC1 ZINC000891684019 582709913 /nfs/dbraw/zinc/70/99/13/582709913.db2.gz NZOHYWLEEIYIRV-UHFFFAOYSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)[C@@H]1C ZINC000891860925 582730449 /nfs/dbraw/zinc/73/04/49/582730449.db2.gz DUIDBGMWSPUHQF-CHWSQXEVSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000892105237 582792865 /nfs/dbraw/zinc/79/28/65/582792865.db2.gz XSWFJTQSIBHGRP-NWDGAFQWSA-N 2 1 210.365 2.059 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CC[C@H](C3CC3)C2)CC1 ZINC000892144398 582799301 /nfs/dbraw/zinc/79/93/01/582799301.db2.gz NWAXUGBZOFYLOU-AWEZNQCLSA-N 2 1 222.376 2.060 20 0 BEADMP CCc1ccc[nH+]c1NCC1CC[NH+](C)CC1 ZINC000893381419 583132721 /nfs/dbraw/zinc/13/27/21/583132721.db2.gz DRJCPCBLSQRHDT-UHFFFAOYSA-N 2 1 233.359 2.398 20 0 BEADMP C[C@@H]1CSCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000894009021 583270251 /nfs/dbraw/zinc/27/02/51/583270251.db2.gz JSIULDSUBAHDJG-LBPRGKRZSA-N 2 1 242.432 2.013 20 0 BEADMP Cc1coc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000894002247 583272429 /nfs/dbraw/zinc/27/24/29/583272429.db2.gz OHVHBWQSDIYYKI-UHFFFAOYSA-N 2 1 236.359 2.362 20 0 BEADMP Cc1ncoc1C[NH2+]CCCCn1cc[nH+]c1C ZINC000894288499 583411867 /nfs/dbraw/zinc/41/18/67/583411867.db2.gz VCBFSNIOVXTPQX-UHFFFAOYSA-N 2 1 248.330 2.058 20 0 BEADMP CCO[C@H](C[NH2+]Cc1c[nH]cn1)c1ccccc1 ZINC000894575586 583486640 /nfs/dbraw/zinc/48/66/40/583486640.db2.gz GHQCINPPTGXXFM-CQSZACIVSA-N 2 1 245.326 2.277 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](CF)C1 ZINC000880237081 583505561 /nfs/dbraw/zinc/50/55/61/583505561.db2.gz PQJFWUHTRMIKBL-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](CF)C1 ZINC000880237081 583505564 /nfs/dbraw/zinc/50/55/64/583505564.db2.gz PQJFWUHTRMIKBL-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](CF)C1 ZINC000880237081 583505566 /nfs/dbraw/zinc/50/55/66/583505566.db2.gz PQJFWUHTRMIKBL-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+](C)Cc1ccc(NCc2cnc[nH]2)c(F)c1 ZINC000894994134 583564578 /nfs/dbraw/zinc/56/45/78/583564578.db2.gz YNCQOHIZVFFXBF-UHFFFAOYSA-N 2 1 248.305 2.223 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CCC23CCCC3)CC1 ZINC000895137032 583602441 /nfs/dbraw/zinc/60/24/41/583602441.db2.gz GHHICDNVBZAETC-UHFFFAOYSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC000895188231 583619618 /nfs/dbraw/zinc/61/96/18/583619618.db2.gz IHUAPEAEZALKCP-GFCCVEGCSA-N 2 1 244.329 2.059 20 0 BEADMP C[C@@H]1C[N@H+](CC2(F)CC2)CCN1c1cc[nH+]cc1 ZINC000895556527 583690897 /nfs/dbraw/zinc/69/08/97/583690897.db2.gz JLEYLLFXSNPRCH-GFCCVEGCSA-N 2 1 249.333 2.094 20 0 BEADMP C[C@@H]1C[N@@H+](CC2(F)CC2)CCN1c1cc[nH+]cc1 ZINC000895556527 583690898 /nfs/dbraw/zinc/69/08/98/583690898.db2.gz JLEYLLFXSNPRCH-GFCCVEGCSA-N 2 1 249.333 2.094 20 0 BEADMP C[NH+]1CCC([NH2+]CC(C)(C)C2CC2)CC1 ZINC000897439206 583983525 /nfs/dbraw/zinc/98/35/25/583983525.db2.gz RODJAEPOOOYWJJ-UHFFFAOYSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C2CC2)CC[N@H+]1C ZINC000897437950 583983622 /nfs/dbraw/zinc/98/36/22/583983622.db2.gz QEFXKVLKTQNATL-AAEUAGOBSA-N 2 1 224.392 2.495 20 0 BEADMP Cl/C=C/CN1CCC[C@H](n2ccnc2)C1 ZINC000729932029 584030114 /nfs/dbraw/zinc/03/01/14/584030114.db2.gz SXKNIFONDUNLMI-FWEMWIAWSA-N 2 1 225.723 2.273 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2CCSC(C)(C)C2)CC1 ZINC000897797303 584049393 /nfs/dbraw/zinc/04/93/93/584049393.db2.gz FNMVNYLXZKQZLT-GFCCVEGCSA-N 2 1 242.432 2.344 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000897955912 584065614 /nfs/dbraw/zinc/06/56/14/584065614.db2.gz YYJBXBCBDMPSPL-MRVWCRGKSA-N 2 1 245.370 2.426 20 0 BEADMP C[C@H](Cc1cccnc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000897966978 584069333 /nfs/dbraw/zinc/06/93/33/584069333.db2.gz IOAPUUDUYMOPGY-UMVBOHGHSA-N 2 1 247.386 2.085 20 0 BEADMP C[C@H](Cc1cccnc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000897966978 584069334 /nfs/dbraw/zinc/06/93/34/584069334.db2.gz IOAPUUDUYMOPGY-UMVBOHGHSA-N 2 1 247.386 2.085 20 0 BEADMP C[C@H](Cc1cccnc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000897966977 584069348 /nfs/dbraw/zinc/06/93/48/584069348.db2.gz IOAPUUDUYMOPGY-NFAWXSAZSA-N 2 1 247.386 2.085 20 0 BEADMP C[C@H](Cc1cccnc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000897966977 584069349 /nfs/dbraw/zinc/06/93/49/584069349.db2.gz IOAPUUDUYMOPGY-NFAWXSAZSA-N 2 1 247.386 2.085 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)Cc2cccnc2)CC1 ZINC000897969447 584070110 /nfs/dbraw/zinc/07/01/10/584070110.db2.gz JTOJAUMCRVQNSH-CYBMUJFWSA-N 2 1 247.386 2.087 20 0 BEADMP C[C@@H]1CC=CC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000898224100 584102092 /nfs/dbraw/zinc/10/20/92/584102092.db2.gz ODSXWPDVBPCDMZ-DGCLKSJQSA-N 2 1 208.349 2.025 20 0 BEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000858490871 588960110 /nfs/dbraw/zinc/96/01/10/588960110.db2.gz RILDURTXFMOXBB-SNPRPXQTSA-N 2 1 236.403 2.497 20 0 BEADMP CCNc1ccccc1C[NH2+]CCC[NH+](C)C ZINC000902027519 584513187 /nfs/dbraw/zinc/51/31/87/584513187.db2.gz ILVUQXDDYZUGNL-UHFFFAOYSA-N 2 1 235.375 2.160 20 0 BEADMP CC[NH+]1CCC([NH2+]Cc2ccccc2NC)CC1 ZINC000902037844 584515074 /nfs/dbraw/zinc/51/50/74/584515074.db2.gz RTTMPCGVFJMBFM-UHFFFAOYSA-N 2 1 247.386 2.302 20 0 BEADMP [NH3+]C1(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000902406571 584573741 /nfs/dbraw/zinc/57/37/41/584573741.db2.gz OFTXRQSUJDCVFJ-KBPBESRZSA-N 2 1 230.355 2.404 20 0 BEADMP CCC[C@@H]([NH2+]CC1([NH3+])CC1)c1cccnc1 ZINC000902406569 584574108 /nfs/dbraw/zinc/57/41/08/584574108.db2.gz OFSBGRNDTZKHJJ-GFCCVEGCSA-N 2 1 219.332 2.004 20 0 BEADMP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000902406574 584574216 /nfs/dbraw/zinc/57/42/16/584574216.db2.gz OFTXRQSUJDCVFJ-ZIAGYGMSSA-N 2 1 230.355 2.404 20 0 BEADMP C[C@@H](CCc1ccsc1)[NH2+]CC1([NH3+])CC1 ZINC000902406567 584574243 /nfs/dbraw/zinc/57/42/43/584574243.db2.gz OFEAVMZTNKVVTR-JTQLQIEISA-N 2 1 224.373 2.150 20 0 BEADMP C[C@H](CCc1ccsc1)[NH2+]CC1([NH3+])CC1 ZINC000902406568 584574430 /nfs/dbraw/zinc/57/44/30/584574430.db2.gz OFEAVMZTNKVVTR-SNVBAGLBSA-N 2 1 224.373 2.150 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000902399704 584585969 /nfs/dbraw/zinc/58/59/69/584585969.db2.gz VUBJJEAYGUBORL-GFCCVEGCSA-N 2 1 236.359 2.456 20 0 BEADMP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(Cl)cc1 ZINC000902415773 584589474 /nfs/dbraw/zinc/58/94/74/584589474.db2.gz QONAERZAOQFFFU-VIFPVBQESA-N 2 1 224.735 2.482 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]CC2([NH3+])CC2)c(C)c1 ZINC000902416195 584590387 /nfs/dbraw/zinc/59/03/87/584590387.db2.gz UDOLPWRHEUXFJE-LBPRGKRZSA-N 2 1 218.344 2.445 20 0 BEADMP CCOc1cccc([C@H](C)[NH2+]CC2([NH3+])CC2)c1 ZINC000902418828 584591671 /nfs/dbraw/zinc/59/16/71/584591671.db2.gz ZNPVMJMLUWJCLC-NSHDSACASA-N 2 1 234.343 2.227 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)C1CC1 ZINC000902432196 584595676 /nfs/dbraw/zinc/59/56/76/584595676.db2.gz OGXITIPAILNLEG-JQWIXIFHSA-N 2 1 210.365 2.010 20 0 BEADMP C[C@@H](Cc1cccs1)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902443151 584598609 /nfs/dbraw/zinc/59/86/09/584598609.db2.gz DGLFVRNDYQLTER-CMPLNLGQSA-N 2 1 238.400 2.267 20 0 BEADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1([NH3+])CC1 ZINC000902414261 584599396 /nfs/dbraw/zinc/59/93/96/584599396.db2.gz UWBHTUXMAKSBGJ-JTQLQIEISA-N 2 1 238.762 2.352 20 0 BEADMP [NH3+]C1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000902413835 584599474 /nfs/dbraw/zinc/59/94/74/584599474.db2.gz ORDBVXTUJOEQID-CABCVRRESA-N 2 1 244.382 2.479 20 0 BEADMP C[C@H](Cc1ccsc1)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902448463 584605291 /nfs/dbraw/zinc/60/52/91/584605291.db2.gz FVPZJEXNQGKRSS-ZYHUDNBSSA-N 2 1 238.400 2.267 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)[C@@H]1CCC[NH2+]1 ZINC000902461269 584611428 /nfs/dbraw/zinc/61/14/28/584611428.db2.gz NLYXXBHELCNDNC-AGIUHOORSA-N 2 1 240.391 2.064 20 0 BEADMP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902465242 584613403 /nfs/dbraw/zinc/61/34/03/584613403.db2.gz DDDNIQGDZHASSN-ARLBYUKCSA-N 2 1 244.382 2.409 20 0 BEADMP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466871 584615058 /nfs/dbraw/zinc/61/50/58/584615058.db2.gz ODTILWIWIWNFGY-MMMKDXCPSA-N 2 1 248.345 2.239 20 0 BEADMP CC1(C)[C@@H]([NH2+]C/C=C\Cl)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902520587 584631602 /nfs/dbraw/zinc/63/16/02/584631602.db2.gz PJFFCGSURMFGBR-GYJXYANXSA-N 2 1 228.767 2.105 20 0 BEADMP C[NH+]1CCC([NH2+]C2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000902727861 584661843 /nfs/dbraw/zinc/66/18/43/584661843.db2.gz FDVNUHKPSWZPAG-RYUDHWBXSA-N 2 1 222.376 2.249 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](F)C1 ZINC000902996503 584714362 /nfs/dbraw/zinc/71/43/62/584714362.db2.gz STOBKFUHMDSMCF-ZDUSSCGKSA-N 2 1 239.338 2.406 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](F)C1 ZINC000902996503 584714363 /nfs/dbraw/zinc/71/43/63/584714363.db2.gz STOBKFUHMDSMCF-ZDUSSCGKSA-N 2 1 239.338 2.406 20 0 BEADMP C1=CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903113883 584729462 /nfs/dbraw/zinc/72/94/62/584729462.db2.gz YCUWXPBWCUHWEZ-LQDVMPOASA-N 2 1 232.371 2.452 20 0 BEADMP C[C@H](C[NH2+][C@H](c1ccccn1)C1CC1)C[NH+](C)C ZINC000903174930 584732556 /nfs/dbraw/zinc/73/25/56/584732556.db2.gz PJNPXTLUDZJRIQ-DOMZBBRYSA-N 2 1 247.386 2.320 20 0 BEADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000903252500 584739199 /nfs/dbraw/zinc/73/91/99/584739199.db2.gz DITRWFOBDWPRHK-ZAQNNHEOSA-N 2 1 234.387 2.247 20 0 BEADMP C[C@@H]([NH2+]Cc1cnc2ccccc2c1)[C@H](C)[NH3+] ZINC000841076642 584749688 /nfs/dbraw/zinc/74/96/88/584749688.db2.gz KOUZTPWDRASTHO-WDEREUQCSA-N 2 1 229.327 2.060 20 0 BEADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)C1CC1 ZINC000903382309 584757458 /nfs/dbraw/zinc/75/74/58/584757458.db2.gz DOQDQFYNBOBJEY-SWLSCSKDSA-N 2 1 247.386 2.463 20 0 BEADMP CC(F)(F)CCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000903459441 584766170 /nfs/dbraw/zinc/76/61/70/584766170.db2.gz KQLCWBSSCOEDTF-UHFFFAOYSA-N 2 1 232.318 2.250 20 0 BEADMP C[NH+]1CCC([NH2+]C2(C)C(C)(C)C2(C)C)CC1 ZINC000903442832 584767755 /nfs/dbraw/zinc/76/77/55/584767755.db2.gz WAMATNMFDLQPLK-UHFFFAOYSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903447138 584770421 /nfs/dbraw/zinc/77/04/21/584770421.db2.gz GOFGYSHYKISOQK-RISCZKNCSA-N 2 1 243.354 2.337 20 0 BEADMP C[N@@H+](C[C@@H]1CC1(C)C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903464553 584770882 /nfs/dbraw/zinc/77/08/82/584770882.db2.gz RFXRHYUEHPJVQR-WOPDTQHZSA-N 2 1 210.365 2.092 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000903454126 584772788 /nfs/dbraw/zinc/77/27/88/584772788.db2.gz VNFPXWVCVABOPR-APIJFGDWSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000903453833 584773042 /nfs/dbraw/zinc/77/30/42/584773042.db2.gz NJEYFYSEIRDEMP-BARDWOONSA-N 2 1 236.403 2.354 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000903454406 584773396 /nfs/dbraw/zinc/77/33/96/584773396.db2.gz BMKCVGOQTGQBPZ-IEECTRCBSA-N 2 1 210.365 2.009 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000903454128 584773596 /nfs/dbraw/zinc/77/35/96/584773596.db2.gz VNFPXWVCVABOPR-KBXIAJHMSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903455500 584774300 /nfs/dbraw/zinc/77/43/00/584774300.db2.gz WXODGAKPHPKEJO-VLEAKVRGSA-N 2 1 246.345 2.241 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000903471920 584775151 /nfs/dbraw/zinc/77/51/51/584775151.db2.gz WJVPKPKJEMXOJK-HNNXBMFYSA-N 2 1 244.382 2.412 20 0 BEADMP c1cc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)cs1 ZINC000903470876 584775356 /nfs/dbraw/zinc/77/53/56/584775356.db2.gz OSSGCOVLNGPDDQ-LBPRGKRZSA-N 2 1 236.384 2.165 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C[NH3+] ZINC000903477315 584777819 /nfs/dbraw/zinc/77/78/19/584777819.db2.gz YDZFFDLCOUXABU-SMDDNHRTSA-N 2 1 243.354 2.195 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C[NH3+] ZINC000903477312 584778121 /nfs/dbraw/zinc/77/81/21/584778121.db2.gz YDZFFDLCOUXABU-BXUZGUMPSA-N 2 1 243.354 2.195 20 0 BEADMP CC1CC(C[N@H+]2CCCC[C@@H]2CC[NH3+])C1 ZINC000903749395 584795014 /nfs/dbraw/zinc/79/50/14/584795014.db2.gz KKSXQKRTFKOEPS-WXRRBKDZSA-N 2 1 210.365 2.236 20 0 BEADMP CC1CC(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000903752457 584795777 /nfs/dbraw/zinc/79/57/77/584795777.db2.gz SSGLFIPHTABYHI-CVSAEHQPSA-N 2 1 236.403 2.497 20 0 BEADMP CC1CC(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000903740888 584795984 /nfs/dbraw/zinc/79/59/84/584795984.db2.gz LTJDSCSDCWYTFY-PFSRBDOWSA-N 2 1 236.403 2.497 20 0 BEADMP CC1CC(C[N@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000903742561 584796425 /nfs/dbraw/zinc/79/64/25/584796425.db2.gz DHVSUDGJZUKTFW-UHFFFAOYSA-N 2 1 222.376 2.108 20 0 BEADMP CC1CC(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000903743086 584796510 /nfs/dbraw/zinc/79/65/10/584796510.db2.gz IEPBWOKAWSQDSP-DMTXQYTPSA-N 2 1 222.376 2.092 20 0 BEADMP FCc1ccccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000903761647 584797671 /nfs/dbraw/zinc/79/76/71/584797671.db2.gz YNBZNHYOAJSJHG-UHFFFAOYSA-N 2 1 248.345 2.484 20 0 BEADMP FC1(F)C[C@@]12CC[N@@H+](C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903768793 584797780 /nfs/dbraw/zinc/79/77/80/584797780.db2.gz QVVYUOSUXMZFHI-VXGBXAGGSA-N 2 1 244.329 2.107 20 0 BEADMP NC[C@]12CC[C@@H]1CCC[N@H+]2CCc1ccccc1 ZINC000903795034 584799018 /nfs/dbraw/zinc/79/90/18/584799018.db2.gz HXXZJBYKJVMXCS-JKSUJKDBSA-N 2 1 244.382 2.432 20 0 BEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2CCc1ccccc1 ZINC000903795034 584799020 /nfs/dbraw/zinc/79/90/20/584799020.db2.gz HXXZJBYKJVMXCS-JKSUJKDBSA-N 2 1 244.382 2.432 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccccc2CF)C[C@H]1C[NH3+] ZINC000903775006 584799038 /nfs/dbraw/zinc/79/90/38/584799038.db2.gz FCOHJNUKTAHHSA-BXUZGUMPSA-N 2 1 236.334 2.183 20 0 BEADMP NC[C@@]12CC[C@@H]1CCC[N@@H+]2Cc1ccccc1 ZINC000903794767 584799375 /nfs/dbraw/zinc/79/93/75/584799375.db2.gz DMNDTKGLUUIWSU-GJZGRUSLSA-N 2 1 230.355 2.390 20 0 BEADMP NC[C@@]12CC[C@@H]1CCC[N@H+]2Cc1ccccc1 ZINC000903794767 584799377 /nfs/dbraw/zinc/79/93/77/584799377.db2.gz DMNDTKGLUUIWSU-GJZGRUSLSA-N 2 1 230.355 2.390 20 0 BEADMP [NH3+]C[C@@]12CC[C@@H]1CCC[N@@H+]2Cc1ccccc1 ZINC000903794767 584799379 /nfs/dbraw/zinc/79/93/79/584799379.db2.gz DMNDTKGLUUIWSU-GJZGRUSLSA-N 2 1 230.355 2.390 20 0 BEADMP [NH3+]C[C@@]12CC[C@@H]1CCC[N@H+]2Cc1ccccc1 ZINC000903794767 584799380 /nfs/dbraw/zinc/79/93/80/584799380.db2.gz DMNDTKGLUUIWSU-GJZGRUSLSA-N 2 1 230.355 2.390 20 0 BEADMP CC1CC(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000903784708 584799984 /nfs/dbraw/zinc/79/99/84/584799984.db2.gz QKMZQPXVPJJZLW-YMAMQOFZSA-N 2 1 236.403 2.498 20 0 BEADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CCCF)CCC1 ZINC000903810300 584803253 /nfs/dbraw/zinc/80/32/53/584803253.db2.gz ADIUMQMVASQPIG-GFCCVEGCSA-N 2 1 228.355 2.330 20 0 BEADMP COCCC[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903810716 584803303 /nfs/dbraw/zinc/80/33/03/584803303.db2.gz FZYZJIJLIFPBGC-CYBMUJFWSA-N 2 1 240.391 2.006 20 0 BEADMP C[C@H]1CSCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000903829323 584805502 /nfs/dbraw/zinc/80/55/02/584805502.db2.gz CSDZXYNLVCPTKP-LBPRGKRZSA-N 2 1 242.432 2.204 20 0 BEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1CF)C2 ZINC000903840968 584807249 /nfs/dbraw/zinc/80/72/49/584807249.db2.gz VLZTWAXMFRAQPU-CQDKDKBSSA-N 2 1 248.345 2.468 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903854038 584808088 /nfs/dbraw/zinc/80/80/88/584808088.db2.gz IQFPIMMXXUDMTK-CABCVRRESA-N 2 1 230.355 2.308 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903854038 584808089 /nfs/dbraw/zinc/80/80/89/584808089.db2.gz IQFPIMMXXUDMTK-CABCVRRESA-N 2 1 230.355 2.308 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903854051 584808306 /nfs/dbraw/zinc/80/83/06/584808306.db2.gz IQFPIMMXXUDMTK-HUUCEWRRSA-N 2 1 230.355 2.308 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903854051 584808307 /nfs/dbraw/zinc/80/83/07/584808307.db2.gz IQFPIMMXXUDMTK-HUUCEWRRSA-N 2 1 230.355 2.308 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@H]2CC[C@]21CN ZINC000903856533 584809379 /nfs/dbraw/zinc/80/93/79/584809379.db2.gz ABFUZHQDEOEACN-OLZOCXBDSA-N 2 1 208.349 2.156 20 0 BEADMP CC(C)=CCC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903856533 584809381 /nfs/dbraw/zinc/80/93/81/584809381.db2.gz ABFUZHQDEOEACN-OLZOCXBDSA-N 2 1 208.349 2.156 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903856533 584809382 /nfs/dbraw/zinc/80/93/82/584809382.db2.gz ABFUZHQDEOEACN-OLZOCXBDSA-N 2 1 208.349 2.156 20 0 BEADMP CC(F)(F)CCC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903858135 584809890 /nfs/dbraw/zinc/80/98/90/584809890.db2.gz HFYWIHGNCXIREB-JQWIXIFHSA-N 2 1 232.318 2.235 20 0 BEADMP CC(F)(F)CCC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903858135 584809891 /nfs/dbraw/zinc/80/98/91/584809891.db2.gz HFYWIHGNCXIREB-JQWIXIFHSA-N 2 1 232.318 2.235 20 0 BEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCc1ccccc1 ZINC000903859042 584810561 /nfs/dbraw/zinc/81/05/61/584810561.db2.gz ZAUBUBLPLPLYJI-HUUCEWRRSA-N 2 1 230.355 2.042 20 0 BEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCc1ccccc1 ZINC000903859042 584810563 /nfs/dbraw/zinc/81/05/63/584810563.db2.gz ZAUBUBLPLPLYJI-HUUCEWRRSA-N 2 1 230.355 2.042 20 0 BEADMP CC1(C)CC(C[N@H+]2CCC[C@]23CC[NH2+]C3)C1 ZINC000903869322 584814659 /nfs/dbraw/zinc/81/46/59/584814659.db2.gz GXACRTFFIAOPTG-CQSZACIVSA-N 2 1 222.376 2.251 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903871433 584814942 /nfs/dbraw/zinc/81/49/42/584814942.db2.gz UNDNXJWGVGCXSX-APIJFGDWSA-N 2 1 234.387 2.251 20 0 BEADMP Cc1ccccc1C[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903919500 584823139 /nfs/dbraw/zinc/82/31/39/584823139.db2.gz DATFCWISQPKCLV-LLVKDONJSA-N 2 1 228.286 2.067 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]([NH3+])CC(F)F)c1ccccc1 ZINC000903922785 584823823 /nfs/dbraw/zinc/82/38/23/584823823.db2.gz DXLGYXJBLYNIAI-KOLCDFICSA-N 2 1 228.286 2.320 20 0 BEADMP Cc1cc(C[NH2+]C[C@H]([NH3+])CC(F)F)ccc1F ZINC000903923204 584823877 /nfs/dbraw/zinc/82/38/77/584823877.db2.gz NRKPFIUFFPDVEA-SNVBAGLBSA-N 2 1 246.276 2.206 20 0 BEADMP CC1(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000903960032 584827473 /nfs/dbraw/zinc/82/74/73/584827473.db2.gz VKOFIAMPJUBKKO-AWEZNQCLSA-N 2 1 222.376 2.252 20 0 BEADMP [NH3+][C@@H](C[NH2+]C1CCC=CCC1)CC(F)F ZINC000903960055 584827772 /nfs/dbraw/zinc/82/77/72/584827772.db2.gz WDYGHWYBEXNVJI-SECBINFHSA-N 2 1 218.291 2.057 20 0 BEADMP C[C@@H](CCc1ccsc1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903963600 584833411 /nfs/dbraw/zinc/83/34/11/584833411.db2.gz BWAZKLVTRVFXEJ-NTZNESFSSA-N 2 1 238.400 2.267 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccc1Cl ZINC000903964310 584834289 /nfs/dbraw/zinc/83/42/89/584834289.db2.gz JBRJSQCARUYXFH-PWSUYJOCSA-N 2 1 238.762 2.285 20 0 BEADMP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903965084 584834726 /nfs/dbraw/zinc/83/47/26/584834726.db2.gz ZOHQEOHGKYFVPN-UKTARXLSSA-N 2 1 232.371 2.376 20 0 BEADMP CC(C)(/C=C/Cl)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903987639 584835995 /nfs/dbraw/zinc/83/59/95/584835995.db2.gz ICQLYINYBVOBJF-SDLBARTOSA-N 2 1 226.698 2.090 20 0 BEADMP CCOc1ccc(C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904301444 584861629 /nfs/dbraw/zinc/86/16/29/584861629.db2.gz IBQMGSGBICIZFK-OKILXGFUSA-N 2 1 248.370 2.254 20 0 BEADMP C[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)CC1CC1 ZINC000904312154 584862886 /nfs/dbraw/zinc/86/28/86/584862886.db2.gz NACCSPIVKPZPJG-GFCCVEGCSA-N 2 1 212.381 2.482 20 0 BEADMP CCS[C@H]1CCCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904321367 584864199 /nfs/dbraw/zinc/86/41/99/584864199.db2.gz XUAKCJGQIJATFY-XQQFMLRXSA-N 2 1 242.432 2.331 20 0 BEADMP COC[C@H]1CC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904321024 584864320 /nfs/dbraw/zinc/86/43/20/584864320.db2.gz TXHPMMYWKQXQTG-STQMWFEESA-N 2 1 242.407 2.108 20 0 BEADMP COC[C@H]1CC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904321024 584864321 /nfs/dbraw/zinc/86/43/21/584864321.db2.gz TXHPMMYWKQXQTG-STQMWFEESA-N 2 1 242.407 2.108 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)C1 ZINC000904324220 584864560 /nfs/dbraw/zinc/86/45/60/584864560.db2.gz FRHGMWYGPUUNJQ-QNWHQSFQSA-N 2 1 240.416 2.084 20 0 BEADMP C[C@@H]1c2c(F)cccc2CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904322312 584864891 /nfs/dbraw/zinc/86/48/91/584864891.db2.gz WDBAXQNRNYXICZ-WZRBSPASSA-N 2 1 248.345 2.482 20 0 BEADMP C[C@H]1c2c(F)cccc2CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904322311 584864950 /nfs/dbraw/zinc/86/49/50/584864950.db2.gz WDBAXQNRNYXICZ-GMXVVIOVSA-N 2 1 248.345 2.482 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCS[C@H]3CCCC[C@H]32)C1 ZINC000904324222 584865003 /nfs/dbraw/zinc/86/50/03/584865003.db2.gz FRHGMWYGPUUNJQ-XQHKEYJVSA-N 2 1 240.416 2.084 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H]2CCCC[C@@H]21 ZINC000904330688 584866151 /nfs/dbraw/zinc/86/61/51/584866151.db2.gz AKVGUKXDOOBUCG-RKQHYHRCSA-N 2 1 222.376 2.234 20 0 BEADMP C[C@H]1C[C@H](c2cccnc2)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904341783 584867046 /nfs/dbraw/zinc/86/70/46/584867046.db2.gz VXVXBZCPKMRNAY-DDHJSBNISA-N 2 1 245.370 2.202 20 0 BEADMP Cc1ccc(F)c(C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904343285 584867706 /nfs/dbraw/zinc/86/77/06/584867706.db2.gz SDHMCQNOAHCAAP-BJHJDKERSA-N 2 1 236.334 2.303 20 0 BEADMP CCC[C@@]1(COC)CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345133 584867856 /nfs/dbraw/zinc/86/78/56/584867856.db2.gz DAQXAJLRHORXLO-MJBXVCDLSA-N 2 1 240.391 2.005 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@@H+](CC(F)F)CC2CCC2)C1 ZINC000904345541 584868400 /nfs/dbraw/zinc/86/84/00/584868400.db2.gz JMCBQBTZBLOGBT-PHIMTYICSA-N 2 1 232.318 2.091 20 0 BEADMP C[C@@H]1COc2ccccc2C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345333 584868416 /nfs/dbraw/zinc/86/84/16/584868416.db2.gz CWHBYBDSPNVDHB-BZPMIXESSA-N 2 1 246.354 2.007 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@](F)(c3ccccc3)C2)C1 ZINC000904350978 584869514 /nfs/dbraw/zinc/86/95/14/584869514.db2.gz SSSZQHNVFITXLZ-CFVMTHIKSA-N 2 1 248.345 2.294 20 0 BEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CC[C@@H](CF)C1 ZINC000904386407 584877774 /nfs/dbraw/zinc/87/77/74/584877774.db2.gz YWBQMXNMVIJKPH-NWDGAFQWSA-N 2 1 230.371 2.431 20 0 BEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CC[C@@H](CF)C1 ZINC000904386407 584877776 /nfs/dbraw/zinc/87/77/76/584877776.db2.gz YWBQMXNMVIJKPH-NWDGAFQWSA-N 2 1 230.371 2.431 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccsc2)CC[C@@H]1C[NH3+] ZINC000904410874 584879031 /nfs/dbraw/zinc/87/90/31/584879031.db2.gz HBLFFCDXSVGHKK-CMPLNLGQSA-N 2 1 224.373 2.165 20 0 BEADMP C[C@@H]1C[N@@H+](CC2(C)CCC2)CC[C@@H]1C[NH3+] ZINC000904409387 584879328 /nfs/dbraw/zinc/87/93/28/584879328.db2.gz ASWKSAOBKIMVPI-VXGBXAGGSA-N 2 1 210.365 2.093 20 0 BEADMP C[C@@H](C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000904415364 584880055 /nfs/dbraw/zinc/88/00/55/584880055.db2.gz GIIHAWNZOMSUQB-MISXGVKJSA-N 2 1 236.334 2.208 20 0 BEADMP C[C@@H](C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000904415364 584880057 /nfs/dbraw/zinc/88/00/57/584880057.db2.gz GIIHAWNZOMSUQB-MISXGVKJSA-N 2 1 236.334 2.208 20 0 BEADMP CC[C@@H](C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000904415213 584880437 /nfs/dbraw/zinc/88/04/37/584880437.db2.gz WNSMXQITFCZKTH-VNHYZAJKSA-N 2 1 232.371 2.459 20 0 BEADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1F ZINC000904420572 584881885 /nfs/dbraw/zinc/88/18/85/584881885.db2.gz AAZJAVYLQRQECC-UONOGXRCSA-N 2 1 248.345 2.175 20 0 BEADMP COc1c(C)cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1C ZINC000841082170 584883136 /nfs/dbraw/zinc/88/31/36/584883136.db2.gz WPRVCXHSYXAKPM-NEPJUHHUSA-N 2 1 236.359 2.137 20 0 BEADMP CSCCCCCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000817921852 584991378 /nfs/dbraw/zinc/99/13/78/584991378.db2.gz JBQPJKGZGABRKG-STQMWFEESA-N 2 1 244.448 2.497 20 0 BEADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc2c(c1)CCO2 ZINC000817960983 584992224 /nfs/dbraw/zinc/99/22/24/584992224.db2.gz VQTKIYPJBPCIFO-SNVBAGLBSA-N 2 1 234.343 2.009 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccoc2)C1 ZINC000839182660 585096689 /nfs/dbraw/zinc/09/66/89/585096689.db2.gz OSFKUMMOEXJNSQ-GFCCVEGCSA-N 2 1 222.332 2.101 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000839183329 585096819 /nfs/dbraw/zinc/09/68/19/585096819.db2.gz WMLNHWITVFCXMH-AGIUHOORSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H]2C[C@H]21 ZINC000767588172 585522928 /nfs/dbraw/zinc/52/29/28/585522928.db2.gz LNONGDLGEDABNI-QWHCGFSZSA-N 2 1 219.332 2.066 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H]2C[C@H]21 ZINC000767588172 585522929 /nfs/dbraw/zinc/52/29/29/585522929.db2.gz LNONGDLGEDABNI-QWHCGFSZSA-N 2 1 219.332 2.066 20 0 BEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C2CC2)C1 ZINC000782185543 585810586 /nfs/dbraw/zinc/81/05/86/585810586.db2.gz HGSNFLPSTGCFKQ-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C2CC2)C1 ZINC000782185543 585810587 /nfs/dbraw/zinc/81/05/87/585810587.db2.gz HGSNFLPSTGCFKQ-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C2CC2)C1 ZINC000782185543 585810588 /nfs/dbraw/zinc/81/05/88/585810588.db2.gz HGSNFLPSTGCFKQ-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000788471087 585925254 /nfs/dbraw/zinc/92/52/54/585925254.db2.gz UCTIPNKCMWTLIM-LBPRGKRZSA-N 2 1 210.365 2.060 20 0 BEADMP CC[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCS1 ZINC000788480635 585925430 /nfs/dbraw/zinc/92/54/30/585925430.db2.gz BWBRTCIMLQIVED-ZDUSSCGKSA-N 2 1 242.432 2.156 20 0 BEADMP CSC[C@@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000788489306 585925518 /nfs/dbraw/zinc/92/55/18/585925518.db2.gz XHFBIDAJFFGHFE-ZDUSSCGKSA-N 2 1 242.432 2.156 20 0 BEADMP CC(C)C(=O)CC[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000808733299 586485525 /nfs/dbraw/zinc/48/55/25/586485525.db2.gz PFZVRHKXVMBRGU-QWHCGFSZSA-N 2 1 240.391 2.016 20 0 BEADMP CC(C)C(=O)CC[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000808733301 586485534 /nfs/dbraw/zinc/48/55/34/586485534.db2.gz PFZVRHKXVMBRGU-STQMWFEESA-N 2 1 240.391 2.016 20 0 BEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC000809756114 586517577 /nfs/dbraw/zinc/51/75/77/586517577.db2.gz PXESPSWXOGXBDW-OAHLLOKOSA-N 2 1 248.370 2.443 20 0 BEADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccoc2)C1 ZINC000809767224 586518807 /nfs/dbraw/zinc/51/88/07/586518807.db2.gz HTRWFMUTCUUMKN-ZIAGYGMSSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccoc2)C1 ZINC000809767224 586518809 /nfs/dbraw/zinc/51/88/09/586518809.db2.gz HTRWFMUTCUUMKN-ZIAGYGMSSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccoc2)C1 ZINC000809767224 586518810 /nfs/dbraw/zinc/51/88/10/586518810.db2.gz HTRWFMUTCUUMKN-ZIAGYGMSSA-N 2 1 234.343 2.196 20 0 BEADMP CN1CCC[C@]2(CC[N@@H+](C[Si](C)(C)C)C2)C1 ZINC000815146612 586670154 /nfs/dbraw/zinc/67/01/54/586670154.db2.gz SZLSANBDHOHGCY-ZDUSSCGKSA-N 2 1 240.467 2.282 20 0 BEADMP C[N@@H+]1CCC[C@]2(CC[NH+](C[Si](C)(C)C)C2)C1 ZINC000815146612 586670156 /nfs/dbraw/zinc/67/01/56/586670156.db2.gz SZLSANBDHOHGCY-ZDUSSCGKSA-N 2 1 240.467 2.282 20 0 BEADMP C[N@H+]1CCC[C@]2(CC[NH+](C[Si](C)(C)C)C2)C1 ZINC000815146612 586670157 /nfs/dbraw/zinc/67/01/57/586670157.db2.gz SZLSANBDHOHGCY-ZDUSSCGKSA-N 2 1 240.467 2.282 20 0 BEADMP C[NH+]1CCC[C@]2(CC[N@H+](C[Si](C)(C)C)C2)C1 ZINC000815146612 586670159 /nfs/dbraw/zinc/67/01/59/586670159.db2.gz SZLSANBDHOHGCY-ZDUSSCGKSA-N 2 1 240.467 2.282 20 0 BEADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[Si](C)(C)C)C2)C1 ZINC000815146612 586670160 /nfs/dbraw/zinc/67/01/60/586670160.db2.gz SZLSANBDHOHGCY-ZDUSSCGKSA-N 2 1 240.467 2.282 20 0 BEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(F)cnc1Cl ZINC000817933376 586841284 /nfs/dbraw/zinc/84/12/84/586841284.db2.gz BYNNXETTWLBXTK-YUMQZZPRSA-N 2 1 245.729 2.090 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccnc(Cl)c1 ZINC000817937677 586844771 /nfs/dbraw/zinc/84/47/71/586844771.db2.gz ZLWQGLKPKFAVHI-SECBINFHSA-N 2 1 239.750 2.138 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000817954228 586849426 /nfs/dbraw/zinc/84/94/26/586849426.db2.gz XNKRMWROYARVIZ-FRRDWIJNSA-N 2 1 210.365 2.154 20 0 BEADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]([NH3+])C1CC1 ZINC000817964495 586854157 /nfs/dbraw/zinc/85/41/57/586854157.db2.gz ANFFFPLARWZGJU-LSDHHAIUSA-N 2 1 230.355 2.309 20 0 BEADMP CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccc2c(c1)CCO2 ZINC000817977143 586861654 /nfs/dbraw/zinc/86/16/54/586861654.db2.gz CHQXAIDREVAXNL-MJVIPROJSA-N 2 1 248.370 2.398 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000817979155 586861725 /nfs/dbraw/zinc/86/17/25/586861725.db2.gz IGVPBYZZNVKORJ-MFKMUULPSA-N 2 1 234.343 2.009 20 0 BEADMP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccc2c(c1)CCO2 ZINC000817977145 586862075 /nfs/dbraw/zinc/86/20/75/586862075.db2.gz CHQXAIDREVAXNL-WDMOLILDSA-N 2 1 248.370 2.398 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CSC[C@H]2C)C1 ZINC000823736910 587238766 /nfs/dbraw/zinc/23/87/66/587238766.db2.gz OPBQWUZRPJEWLH-JHJVBQTASA-N 2 1 242.432 2.059 20 0 BEADMP CC[C@@H]1C[C@@H]([NH2+]CC[N@H+](CC)C(C)C)CCO1 ZINC000823756866 587239561 /nfs/dbraw/zinc/23/95/61/587239561.db2.gz DIXNYOBGUOGAEN-UONOGXRCSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@@H]1C[C@@H]([NH2+]CC[N@@H+](CC)C(C)C)CCO1 ZINC000823756866 587239563 /nfs/dbraw/zinc/23/95/63/587239563.db2.gz DIXNYOBGUOGAEN-UONOGXRCSA-N 2 1 242.407 2.264 20 0 BEADMP Cc1ncc(C[N@H+]2CCC3(CCCC3)C2)n1C ZINC000824783047 587287432 /nfs/dbraw/zinc/28/74/32/587287432.db2.gz PZTYXXJPJSQBSO-UHFFFAOYSA-N 2 1 233.359 2.495 20 0 BEADMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CC(C(F)F)C1 ZINC000825332506 587315245 /nfs/dbraw/zinc/31/52/45/587315245.db2.gz ZHDPJFDIQXDJJQ-UHFFFAOYSA-N 2 1 246.345 2.494 20 0 BEADMP CC1(C)CCC[N@H+]1CC[NH2+]C1CC(C(F)F)C1 ZINC000825332506 587315247 /nfs/dbraw/zinc/31/52/47/587315247.db2.gz ZHDPJFDIQXDJJQ-UHFFFAOYSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000834909624 587769540 /nfs/dbraw/zinc/76/95/40/587769540.db2.gz SPQUITOBSMPDLN-YPMHNXCESA-N 2 1 210.365 2.249 20 0 BEADMP C[N@@H+](CCCC[NH2+]C1CC(C(F)F)C1)C1CC1 ZINC000835064771 587779998 /nfs/dbraw/zinc/77/99/98/587779998.db2.gz ZFCOCQHDBCALAC-UHFFFAOYSA-N 2 1 246.345 2.494 20 0 BEADMP Cc1cc([NH+](C)C)cc(C)c1NCCC[NH3+] ZINC000841011844 587935641 /nfs/dbraw/zinc/93/56/41/587935641.db2.gz PETVAVRAGKGJLG-UHFFFAOYSA-N 2 1 221.348 2.130 20 0 BEADMP COc1c(C)cc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1C ZINC000841028067 587935665 /nfs/dbraw/zinc/93/56/65/587935665.db2.gz KRYCLUNSFKVZLD-AWEZNQCLSA-N 2 1 248.370 2.139 20 0 BEADMP CC(C)([NH3+])C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000841031387 587936198 /nfs/dbraw/zinc/93/61/98/587936198.db2.gz SDJVYNDBNDVTFP-UHFFFAOYSA-N 2 1 248.370 2.227 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cnc2ccccc2c1 ZINC000841030428 587936451 /nfs/dbraw/zinc/93/64/51/587936451.db2.gz LYGOIIKRJRAXFB-AWEZNQCLSA-N 2 1 243.354 2.308 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000841073510 587943886 /nfs/dbraw/zinc/94/38/86/587943886.db2.gz YCOOHSQLSKRSOR-ZDUSSCGKSA-N 2 1 248.370 2.227 20 0 BEADMP CCCC(N)=[NH+]OCC[N@H+](C)Cc1ccccc1 ZINC000842029287 587990742 /nfs/dbraw/zinc/99/07/42/587990742.db2.gz ZKJUNRUWIPMHAR-UHFFFAOYSA-N 2 1 249.358 2.417 20 0 BEADMP CCCC(N)=[NH+]OCC[N@@H+](C)Cc1ccccc1 ZINC000842029287 587990744 /nfs/dbraw/zinc/99/07/44/587990744.db2.gz ZKJUNRUWIPMHAR-UHFFFAOYSA-N 2 1 249.358 2.417 20 0 BEADMP CC(C)C(N)=[NH+]OCC[N@H+](C)Cc1ccccc1 ZINC000842038165 587991884 /nfs/dbraw/zinc/99/18/84/587991884.db2.gz BGDBLORFWYSKIS-UHFFFAOYSA-N 2 1 249.358 2.273 20 0 BEADMP CC(C)C(N)=[NH+]OCC[N@@H+](C)Cc1ccccc1 ZINC000842038165 587991885 /nfs/dbraw/zinc/99/18/85/587991885.db2.gz BGDBLORFWYSKIS-UHFFFAOYSA-N 2 1 249.358 2.273 20 0 BEADMP CC[N@@H+](CCCCCCC[NH3+])C[C@H]1CCOC1 ZINC000842471691 588029095 /nfs/dbraw/zinc/02/90/95/588029095.db2.gz TUCATCIODVYGAN-CQSZACIVSA-N 2 1 242.407 2.254 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CC[C@H]1C ZINC000845997128 588252730 /nfs/dbraw/zinc/25/27/30/588252730.db2.gz VBDZVUWRSLLURG-OLZOCXBDSA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H]1C ZINC000845997127 588252956 /nfs/dbraw/zinc/25/29/56/588252956.db2.gz VBDZVUWRSLLURG-CHWSQXEVSA-N 2 1 212.381 2.352 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CCc2ccc(O)cc2C1 ZINC000846217807 588260652 /nfs/dbraw/zinc/26/06/52/588260652.db2.gz CNOAJUURYKXICA-UHFFFAOYSA-N 2 1 248.370 2.269 20 0 BEADMP [NH3+]C[C@@H]([NH2+]C/C=C/Cl)C1CCCCC1 ZINC000846220355 588261233 /nfs/dbraw/zinc/26/12/33/588261233.db2.gz GWHCMGDNJJPMGY-TZOMUSMUSA-N 2 1 216.756 2.236 20 0 BEADMP Cl/C=C/C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000846221252 588261458 /nfs/dbraw/zinc/26/14/58/588261458.db2.gz VICACEDIOOXPKE-OMJJQCQUSA-N 2 1 228.767 2.060 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846229304 588261898 /nfs/dbraw/zinc/26/18/98/588261898.db2.gz SMEPWYKJDYKJIN-NSHDSACASA-N 2 1 232.318 2.237 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000852751152 588700052 /nfs/dbraw/zinc/70/00/52/588700052.db2.gz QZBHNRBJNHUDOG-DGCLKSJQSA-N 2 1 246.345 2.496 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000852751152 588700053 /nfs/dbraw/zinc/70/00/53/588700053.db2.gz QZBHNRBJNHUDOG-DGCLKSJQSA-N 2 1 246.345 2.496 20 0 BEADMP C[C@H](N)C[N@@H+](C)C[C@H]1CCCCC1(C)C ZINC000863567791 589300356 /nfs/dbraw/zinc/30/03/56/589300356.db2.gz GWFIWHGPBBFLRB-NWDGAFQWSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@H]([NH3+])CN(C)C[C@H]1CCCCC1(C)C ZINC000863567791 589300357 /nfs/dbraw/zinc/30/03/57/589300357.db2.gz GWFIWHGPBBFLRB-NWDGAFQWSA-N 2 1 212.381 2.482 20 0 BEADMP Fc1ccccc1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000863643791 589306836 /nfs/dbraw/zinc/30/68/36/589306836.db2.gz WQXKLMVYUVHWRG-CQSZACIVSA-N 2 1 248.345 2.242 20 0 BEADMP CCC(CC)NC(=[NH2+])NCC[N@H+](C)[C@H](C)CC ZINC000864455885 589366998 /nfs/dbraw/zinc/36/69/98/589366998.db2.gz ACLUZUZNVLYGNC-LLVKDONJSA-N 2 1 242.411 2.019 20 0 BEADMP CS[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000865733314 589459252 /nfs/dbraw/zinc/45/92/52/589459252.db2.gz HNKADOCNNQIIAA-IJLUTSLNSA-N 2 1 242.432 2.343 20 0 BEADMP COCCCC[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866707825 589514336 /nfs/dbraw/zinc/51/43/36/589514336.db2.gz XACJOSFPNBNCSL-AWEZNQCLSA-N 2 1 242.407 2.110 20 0 BEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cccnc2)C1 ZINC000866708065 589514713 /nfs/dbraw/zinc/51/47/13/589514713.db2.gz XMMFONZMVDAAOO-OAHLLOKOSA-N 2 1 247.386 2.279 20 0 BEADMP CC(C)OCC[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705269 589514747 /nfs/dbraw/zinc/51/47/47/589514747.db2.gz WOFJYTOUPWHEJT-CQSZACIVSA-N 2 1 242.407 2.108 20 0 BEADMP CCCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785110 589818020 /nfs/dbraw/zinc/81/80/20/589818020.db2.gz RMAJHXQDGBNQFX-YOGCLGLASA-N 2 1 239.363 2.158 20 0 BEADMP CCCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785110 589818022 /nfs/dbraw/zinc/81/80/22/589818022.db2.gz RMAJHXQDGBNQFX-YOGCLGLASA-N 2 1 239.363 2.158 20 0 BEADMP COCC1([N@@H+](C)CCCCCCC[NH3+])CCC1 ZINC000872158162 589886346 /nfs/dbraw/zinc/88/63/46/589886346.db2.gz YNSCCCHLCDOHKW-UHFFFAOYSA-N 2 1 242.407 2.397 20 0 BEADMP c1cc(N[C@H]2CC[N@H+](C3CC3)C2)c(C2CC2)c[nH+]1 ZINC000872422319 589938459 /nfs/dbraw/zinc/93/84/59/589938459.db2.gz KNMJMIIATQXQJS-LBPRGKRZSA-N 2 1 243.354 2.030 20 0 BEADMP C[N@H+]1CCC[C@@H](CNc2cc[nH+]cc2C2CC2)C1 ZINC000872447759 589940078 /nfs/dbraw/zinc/94/00/78/589940078.db2.gz ARYBYRFDPWITLH-LBPRGKRZSA-N 2 1 245.370 2.135 20 0 BEADMP CC(C)([NH3+])C[N@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000873226875 590001277 /nfs/dbraw/zinc/00/12/77/590001277.db2.gz CUGGEASLSNVCDP-MRXNPFEDSA-N 2 1 244.382 2.314 20 0 BEADMP C[N@@H+]1CC[C@H]2C[NH+](CC3CCCC3)CC[C@@H]21 ZINC000877738200 590405657 /nfs/dbraw/zinc/40/56/57/590405657.db2.gz ANAUFFYRWIQXEC-KBPBESRZSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@H+]1CC[C@H]2C[NH+](CC3CCCC3)CC[C@@H]21 ZINC000877738200 590405659 /nfs/dbraw/zinc/40/56/59/590405659.db2.gz ANAUFFYRWIQXEC-KBPBESRZSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](CC3CCCC3)CC[C@@H]21 ZINC000877738200 590405662 /nfs/dbraw/zinc/40/56/62/590405662.db2.gz ANAUFFYRWIQXEC-KBPBESRZSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](CC3CCCC3)CC[C@@H]21 ZINC000877738200 590405664 /nfs/dbraw/zinc/40/56/64/590405664.db2.gz ANAUFFYRWIQXEC-KBPBESRZSA-N 2 1 222.376 2.203 20 0 BEADMP CC(C)CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877740162 590406390 /nfs/dbraw/zinc/40/63/90/590406390.db2.gz IUCZJLMTGKADSU-OLZOCXBDSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877740162 590406392 /nfs/dbraw/zinc/40/63/92/590406392.db2.gz IUCZJLMTGKADSU-OLZOCXBDSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877740162 590406395 /nfs/dbraw/zinc/40/63/95/590406395.db2.gz IUCZJLMTGKADSU-OLZOCXBDSA-N 2 1 210.365 2.059 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC[C@H]21 ZINC000877738812 590407155 /nfs/dbraw/zinc/40/71/55/590407155.db2.gz MKBKFXNRYKLNHA-DGXTUMSLSA-N 2 1 248.414 2.449 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC[C@H]21 ZINC000877738812 590407156 /nfs/dbraw/zinc/40/71/56/590407156.db2.gz MKBKFXNRYKLNHA-DGXTUMSLSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC[C@H]21 ZINC000877738812 590407159 /nfs/dbraw/zinc/40/71/59/590407159.db2.gz MKBKFXNRYKLNHA-DGXTUMSLSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC[C@H]21 ZINC000877738812 590407161 /nfs/dbraw/zinc/40/71/61/590407161.db2.gz MKBKFXNRYKLNHA-DGXTUMSLSA-N 2 1 248.414 2.449 20 0 BEADMP CC[C@H](C)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877742956 590408312 /nfs/dbraw/zinc/40/83/12/590408312.db2.gz SHYKWBFDSJOVBK-AVGNSLFASA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@H](C)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877742956 590408314 /nfs/dbraw/zinc/40/83/14/590408314.db2.gz SHYKWBFDSJOVBK-AVGNSLFASA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@H](C)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877742956 590408318 /nfs/dbraw/zinc/40/83/18/590408318.db2.gz SHYKWBFDSJOVBK-AVGNSLFASA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@H](C)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877742958 590408493 /nfs/dbraw/zinc/40/84/93/590408493.db2.gz SHYKWBFDSJOVBK-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@H](C)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877742958 590408494 /nfs/dbraw/zinc/40/84/94/590408494.db2.gz SHYKWBFDSJOVBK-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@H](C)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877742958 590408495 /nfs/dbraw/zinc/40/84/95/590408495.db2.gz SHYKWBFDSJOVBK-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(C)(C)C)CC[C@@H]21 ZINC000877743366 590411175 /nfs/dbraw/zinc/41/11/75/590411175.db2.gz VIQJSJHFHGUSRR-STQMWFEESA-N 2 1 224.392 2.449 20 0 BEADMP C[N@H+]1CC[C@H]2C[NH+](CCC(C)(C)C)CC[C@@H]21 ZINC000877743366 590411178 /nfs/dbraw/zinc/41/11/78/590411178.db2.gz VIQJSJHFHGUSRR-STQMWFEESA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](CCC(C)(C)C)CC[C@@H]21 ZINC000877743366 590411180 /nfs/dbraw/zinc/41/11/80/590411180.db2.gz VIQJSJHFHGUSRR-STQMWFEESA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(C)(C)C)CC[C@@H]21 ZINC000877743366 590411182 /nfs/dbraw/zinc/41/11/82/590411182.db2.gz VIQJSJHFHGUSRR-STQMWFEESA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877744098 590411425 /nfs/dbraw/zinc/41/14/25/590411425.db2.gz ZSFGKLSXDKXYDK-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877744098 590411427 /nfs/dbraw/zinc/41/14/27/590411427.db2.gz ZSFGKLSXDKXYDK-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877744098 590411428 /nfs/dbraw/zinc/41/14/28/590411428.db2.gz ZSFGKLSXDKXYDK-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877744098 590411430 /nfs/dbraw/zinc/41/14/30/590411430.db2.gz ZSFGKLSXDKXYDK-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP C[N@@H+](CCCC1CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000878125580 590501311 /nfs/dbraw/zinc/50/13/11/590501311.db2.gz QIYJEAJBASUKKV-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH+](CCCC1CC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000878125580 590501314 /nfs/dbraw/zinc/50/13/14/590501314.db2.gz QIYJEAJBASUKKV-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH+](CCCC1CC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000878125580 590501318 /nfs/dbraw/zinc/50/13/18/590501318.db2.gz QIYJEAJBASUKKV-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP C=C/C=C/CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000878125831 590502122 /nfs/dbraw/zinc/50/21/22/590502122.db2.gz SFJWRLCOASDRLS-VBROQKIQSA-N 2 1 222.376 2.392 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC=C(Cl)C1 ZINC000878792550 590623458 /nfs/dbraw/zinc/62/34/58/590623458.db2.gz TYDDXHYCNJDNET-UHFFFAOYSA-N 2 1 239.750 2.410 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC=C(Cl)C1 ZINC000878792550 590623460 /nfs/dbraw/zinc/62/34/60/590623460.db2.gz TYDDXHYCNJDNET-UHFFFAOYSA-N 2 1 239.750 2.410 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCC3CC3)CC[C@@H]21 ZINC000879580307 590802444 /nfs/dbraw/zinc/80/24/44/590802444.db2.gz SILXUDCYNDOOGS-KGLIPLIRSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CCCC3CC3)CC[C@@H]21 ZINC000879580307 590802447 /nfs/dbraw/zinc/80/24/47/590802447.db2.gz SILXUDCYNDOOGS-KGLIPLIRSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CCCC3CC3)CC[C@@H]21 ZINC000879580307 590802450 /nfs/dbraw/zinc/80/24/50/590802450.db2.gz SILXUDCYNDOOGS-KGLIPLIRSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCC3CC3)CC[C@@H]21 ZINC000879580307 590802453 /nfs/dbraw/zinc/80/24/53/590802453.db2.gz SILXUDCYNDOOGS-KGLIPLIRSA-N 2 1 222.376 2.203 20 0 BEADMP C=C/C=C/CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580322 590820584 /nfs/dbraw/zinc/82/05/84/590820584.db2.gz SLLDLCNTJBZXSU-KOABKASLSA-N 2 1 220.360 2.145 20 0 BEADMP C=C/C=C/CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580322 590820587 /nfs/dbraw/zinc/82/05/87/590820587.db2.gz SLLDLCNTJBZXSU-KOABKASLSA-N 2 1 220.360 2.145 20 0 BEADMP C=C/C=C/CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580322 590820589 /nfs/dbraw/zinc/82/05/89/590820589.db2.gz SLLDLCNTJBZXSU-KOABKASLSA-N 2 1 220.360 2.145 20 0 BEADMP C=C/C=C/CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580322 590820591 /nfs/dbraw/zinc/82/05/91/590820591.db2.gz SLLDLCNTJBZXSU-KOABKASLSA-N 2 1 220.360 2.145 20 0 BEADMP CC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879582310 590820599 /nfs/dbraw/zinc/82/05/99/590820599.db2.gz RJLDTEJXDQGFKO-OOPLNXAUSA-N 2 1 222.376 2.369 20 0 BEADMP CC/C=C/CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879582310 590820602 /nfs/dbraw/zinc/82/06/02/590820602.db2.gz RJLDTEJXDQGFKO-OOPLNXAUSA-N 2 1 222.376 2.369 20 0 BEADMP CC/C=C/CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879582310 590820605 /nfs/dbraw/zinc/82/06/05/590820605.db2.gz RJLDTEJXDQGFKO-OOPLNXAUSA-N 2 1 222.376 2.369 20 0 BEADMP CC/C=C/CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879582310 590820606 /nfs/dbraw/zinc/82/06/06/590820606.db2.gz RJLDTEJXDQGFKO-OOPLNXAUSA-N 2 1 222.376 2.369 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](CF)C1 ZINC000880237078 590968677 /nfs/dbraw/zinc/96/86/77/590968677.db2.gz PQJFWUHTRMIKBL-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](CF)C1 ZINC000880237078 590968679 /nfs/dbraw/zinc/96/86/79/590968679.db2.gz PQJFWUHTRMIKBL-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](CF)C1 ZINC000880237078 590968681 /nfs/dbraw/zinc/96/86/81/590968681.db2.gz PQJFWUHTRMIKBL-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CCC2)CCN1c1cc[nH+]cc1 ZINC000880259088 590979390 /nfs/dbraw/zinc/97/93/90/590979390.db2.gz MKHNKCYSTJKYHC-CYBMUJFWSA-N 2 1 245.370 2.392 20 0 BEADMP CC[N@@H+](CCNc1ncnc(C)c1C)C(C)C ZINC000881905696 591277466 /nfs/dbraw/zinc/27/74/66/591277466.db2.gz VMRDAQIFHIGGQE-UHFFFAOYSA-N 2 1 236.363 2.236 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2C=CCC2)[C@@H](C)C1 ZINC000883247010 591587964 /nfs/dbraw/zinc/58/79/64/591587964.db2.gz XHBYMRZJMNKGCK-IHRRRGAJSA-N 2 1 222.376 2.273 20 0 BEADMP C=C/C=C/CC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000883267771 591600554 /nfs/dbraw/zinc/60/05/54/591600554.db2.gz POWNVQCDJDBCPQ-HYLRALAJSA-N 2 1 222.376 2.439 20 0 BEADMP C[NH+]1CCC([NH2+]CC[C@@H]2CCCC2(F)F)CC1 ZINC000883266807 591601320 /nfs/dbraw/zinc/60/13/20/591601320.db2.gz KCKUGJPPNLYYBY-NSHDSACASA-N 2 1 246.345 2.496 20 0 BEADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCC2(F)F)CC[C@H]1[NH3+] ZINC000883417808 591654240 /nfs/dbraw/zinc/65/42/40/591654240.db2.gz NSFKDSANWZQVLX-IJLUTSLNSA-N 2 1 246.345 2.481 20 0 BEADMP C[C@@]1(C[NH3+])CC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883428200 591660570 /nfs/dbraw/zinc/66/05/70/591660570.db2.gz NXIVYRLGDRRYBW-RYUDHWBXSA-N 2 1 246.345 2.483 20 0 BEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1C[NH3+] ZINC000883438458 591667796 /nfs/dbraw/zinc/66/77/96/591667796.db2.gz TVOVWDFZRADSPR-UTUOFQBUSA-N 2 1 246.345 2.339 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ncco1 ZINC000886536382 592251003 /nfs/dbraw/zinc/25/10/03/592251003.db2.gz GPNRKXLXKGHRGW-NSHDSACASA-N 2 1 248.330 2.311 20 0 BEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCSC(F)(F)F ZINC000886840323 592359509 /nfs/dbraw/zinc/35/95/09/592359509.db2.gz ZCVRWQZTNRDRIB-ZETCQYMHSA-N 2 1 244.326 2.202 20 0 BEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCSC(F)(F)F ZINC000886840322 592359957 /nfs/dbraw/zinc/35/99/57/592359957.db2.gz ZCVRWQZTNRDRIB-SSDOTTSWSA-N 2 1 244.326 2.202 20 0 BEADMP CC(C)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865793 592374154 /nfs/dbraw/zinc/37/41/54/592374154.db2.gz UWKJFILVHOKFLL-ZDUSSCGKSA-N 2 1 210.365 2.108 20 0 BEADMP FC(F)C[N@H+](CC[C@H]1CC[NH2+]C1)C1CCC1 ZINC000886881281 592380516 /nfs/dbraw/zinc/38/05/16/592380516.db2.gz XOGCLYDAOLPLAI-SNVBAGLBSA-N 2 1 232.318 2.106 20 0 BEADMP FC(F)C[N@@H+](CC[C@H]1CC[NH2+]C1)C1CCC1 ZINC000886881281 592380519 /nfs/dbraw/zinc/38/05/19/592380519.db2.gz XOGCLYDAOLPLAI-SNVBAGLBSA-N 2 1 232.318 2.106 20 0 BEADMP COC(C)(C)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300067103 592502547 /nfs/dbraw/zinc/50/25/47/592502547.db2.gz QTJUNDPTUFDZHM-OLZOCXBDSA-N 2 1 240.391 2.018 20 0 BEADMP CCSC1(C[NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925711080 634410858 /nfs/dbraw/zinc/41/08/58/634410858.db2.gz YLAYDMVEMFATOM-JTQLQIEISA-N 2 1 228.405 2.002 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000925711797 634413292 /nfs/dbraw/zinc/41/32/92/634413292.db2.gz RQRPHOCXYOZPLT-NWANDNLSSA-N 2 1 232.371 2.193 20 0 BEADMP c1coc(CCC[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000925716385 634446409 /nfs/dbraw/zinc/44/64/09/634446409.db2.gz PNBIFLHMMFCCFC-AWEZNQCLSA-N 2 1 248.370 2.477 20 0 BEADMP c1ccc(CCC[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC000257715756 634479840 /nfs/dbraw/zinc/47/98/40/634479840.db2.gz UTWDUOSMHLLCFA-MRXNPFEDSA-N 2 1 244.382 2.447 20 0 BEADMP c1ccc(CCC[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC000257715756 634479846 /nfs/dbraw/zinc/47/98/46/634479846.db2.gz UTWDUOSMHLLCFA-MRXNPFEDSA-N 2 1 244.382 2.447 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000125516613 634527262 /nfs/dbraw/zinc/52/72/62/634527262.db2.gz YPGOMTDNDSCHTG-OAHLLOKOSA-N 2 1 232.371 2.290 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@@H]1CCCC1(F)F ZINC000925736739 634591221 /nfs/dbraw/zinc/59/12/21/634591221.db2.gz OEEBNQXJRIMUFF-GRYCIOLGSA-N 2 1 246.345 2.400 20 0 BEADMP Cc1cc(F)c(C[NH2+][C@H](C)C[C@H](C)[NH3+])c(F)c1 ZINC000925873702 635593761 /nfs/dbraw/zinc/59/37/61/635593761.db2.gz CIOLWZZDPOBDBF-VHSXEESVSA-N 2 1 242.313 2.489 20 0 BEADMP CC(C)C(C[NH2+]CCc1c[nH+]cn1C)C(C)C ZINC000401885821 631247664 /nfs/dbraw/zinc/24/76/64/631247664.db2.gz TUJDRGQNMGJHSJ-UHFFFAOYSA-N 2 1 237.391 2.480 20 0 BEADMP C[N@H+]1C[C@@H]2C[NH+](CCCC(C)(F)F)C[C@]2(C)C1 ZINC000933734764 631494578 /nfs/dbraw/zinc/49/45/78/631494578.db2.gz RKODKHIUQYPUAH-NEPJUHHUSA-N 2 1 246.345 2.305 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+](CCCC(C)(F)F)C[C@]2(C)C1 ZINC000933734764 631494581 /nfs/dbraw/zinc/49/45/81/631494581.db2.gz RKODKHIUQYPUAH-NEPJUHHUSA-N 2 1 246.345 2.305 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](CCCC(C)(F)F)C[C@]2(C)C1 ZINC000933734764 631494584 /nfs/dbraw/zinc/49/45/84/631494584.db2.gz RKODKHIUQYPUAH-NEPJUHHUSA-N 2 1 246.345 2.305 20 0 BEADMP Cc1ccccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933744314 631502745 /nfs/dbraw/zinc/50/27/45/631502745.db2.gz FBVTZYJDCSNARK-CVEARBPZSA-N 2 1 244.382 2.379 20 0 BEADMP Cc1ccccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933744314 631502748 /nfs/dbraw/zinc/50/27/48/631502748.db2.gz FBVTZYJDCSNARK-CVEARBPZSA-N 2 1 244.382 2.379 20 0 BEADMP Cc1ccccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933744314 631502750 /nfs/dbraw/zinc/50/27/50/631502750.db2.gz FBVTZYJDCSNARK-CVEARBPZSA-N 2 1 244.382 2.379 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC(F)(F)C1 ZINC000925928609 635641767 /nfs/dbraw/zinc/64/17/67/635641767.db2.gz FHBYDEWJMGHRHL-FBTJUVTCSA-N 2 1 244.329 2.104 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+]CC[N@H+](C)C1CCCC1 ZINC000308805628 631667181 /nfs/dbraw/zinc/66/71/81/631667181.db2.gz MGJKAPLTMDZSAS-YPMHNXCESA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000308805628 631667184 /nfs/dbraw/zinc/66/71/84/631667184.db2.gz MGJKAPLTMDZSAS-YPMHNXCESA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1CSCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000934303797 631770730 /nfs/dbraw/zinc/77/07/30/631770730.db2.gz MGBJBYKEYXTDQY-STQMWFEESA-N 2 1 242.432 2.298 20 0 BEADMP C[C@@H]1CSCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000934303794 631771262 /nfs/dbraw/zinc/77/12/62/631771262.db2.gz MGBJBYKEYXTDQY-CHWSQXEVSA-N 2 1 242.432 2.298 20 0 BEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCc1cccs1 ZINC000308964394 631771495 /nfs/dbraw/zinc/77/14/95/631771495.db2.gz LLKLITOPYRKHFM-GFCCVEGCSA-N 2 1 226.389 2.254 20 0 BEADMP C[N@@H+](CC1(C)CCC1)C1CCC([NH3+])CC1 ZINC000308988910 631781323 /nfs/dbraw/zinc/78/13/23/631781323.db2.gz MXYFVKZKVBUWJZ-UHFFFAOYSA-N 2 1 210.365 2.378 20 0 BEADMP [NH3+][C@H](CC(F)F)C[NH+]1CCCCCCC1 ZINC000309033012 631806303 /nfs/dbraw/zinc/80/63/03/631806303.db2.gz CVRLXRDOSKJQHC-SNVBAGLBSA-N 2 1 220.307 2.235 20 0 BEADMP Cc1ccc(C[NH2+]C[C@H]([NH3+])CC(F)F)s1 ZINC000309050690 631825353 /nfs/dbraw/zinc/82/53/53/631825353.db2.gz PQVGFUMEBUIBQT-MRVPVSSYSA-N 2 1 234.315 2.129 20 0 BEADMP CC[N@H+](CC[NH2+]C1CC(C(F)F)C1)C(C)C ZINC000309436498 632047897 /nfs/dbraw/zinc/04/78/97/632047897.db2.gz HJZCAQUPDACZQP-UHFFFAOYSA-N 2 1 234.334 2.350 20 0 BEADMP CC[N@@H+](CC[NH2+]C1CC(C(F)F)C1)C(C)C ZINC000309436498 632047903 /nfs/dbraw/zinc/04/79/03/632047903.db2.gz HJZCAQUPDACZQP-UHFFFAOYSA-N 2 1 234.334 2.350 20 0 BEADMP C[C@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251554177 635704514 /nfs/dbraw/zinc/70/45/14/635704514.db2.gz AAWUXXYWQSWPDH-FUDCBSFHSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@H](Cc1ccco1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252185400 635709305 /nfs/dbraw/zinc/70/93/05/635709305.db2.gz UFBUHDMHGGVYHC-JHJVBQTASA-N 2 1 236.359 2.283 20 0 BEADMP C[C@H](Cc1ccco1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252185400 635709309 /nfs/dbraw/zinc/70/93/09/635709309.db2.gz UFBUHDMHGGVYHC-JHJVBQTASA-N 2 1 236.359 2.283 20 0 BEADMP C[C@@H](C1CC1)[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000219754868 632564814 /nfs/dbraw/zinc/56/48/14/632564814.db2.gz NRYXWBRWGQJGMK-AAEUAGOBSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]1CCC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000219757666 632567960 /nfs/dbraw/zinc/56/79/60/632567960.db2.gz DFFDOAQXEMRDRC-OLZOCXBDSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](C[NH3+])C2)C1 ZINC000084344518 632637841 /nfs/dbraw/zinc/63/78/41/632637841.db2.gz KXQMSPQWDLBSJD-FRRDWIJNSA-N 2 1 210.365 2.093 20 0 BEADMP C[C@@H]1CC[C@@H](C)C1[NH2+]C1CC[NH+](C)CC1 ZINC000309150048 632647963 /nfs/dbraw/zinc/64/79/63/632647963.db2.gz WEOANGUCQCFJGC-GHMZBOCLSA-N 2 1 210.365 2.105 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000235684374 632812927 /nfs/dbraw/zinc/81/29/27/632812927.db2.gz PASPCRFCOCPAPP-JSGCOSHPSA-N 2 1 218.344 2.082 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000235684374 632812928 /nfs/dbraw/zinc/81/29/28/632812928.db2.gz PASPCRFCOCPAPP-JSGCOSHPSA-N 2 1 218.344 2.082 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C2CC(C(F)F)C2)CC[N@@H+]1C ZINC000309370513 632984551 /nfs/dbraw/zinc/98/45/51/632984551.db2.gz BYOSGIOYEMXNMO-XEAZBWPWSA-N 2 1 232.318 2.102 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C2CC(C(F)F)C2)CC[N@H+]1C ZINC000309370513 632984558 /nfs/dbraw/zinc/98/45/58/632984558.db2.gz BYOSGIOYEMXNMO-XEAZBWPWSA-N 2 1 232.318 2.102 20 0 BEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccoc2)C1 ZINC000163800637 633064569 /nfs/dbraw/zinc/06/45/69/633064569.db2.gz QLPOIASKURAMSY-LBPRGKRZSA-N 2 1 222.332 2.101 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccoc2)C1 ZINC000163800637 633064575 /nfs/dbraw/zinc/06/45/75/633064575.db2.gz QLPOIASKURAMSY-LBPRGKRZSA-N 2 1 222.332 2.101 20 0 BEADMP Cc1ccc(OCC[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000311219479 633086011 /nfs/dbraw/zinc/08/60/11/633086011.db2.gz TZEDIRSHDNEMAG-HNNXBMFYSA-N 2 1 248.370 2.045 20 0 BEADMP Cc1ccccc1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925508390 633842865 /nfs/dbraw/zinc/84/28/65/633842865.db2.gz GFIIWXUJGGEYOR-HNNXBMFYSA-N 2 1 244.382 2.412 20 0 BEADMP C[C@H]([NH3+])[C@H](NCCCC[NH+](C)C)c1ccccc1 ZINC000925522792 633896019 /nfs/dbraw/zinc/89/60/19/633896019.db2.gz USVRWROFZALYSA-ZFWWWQNUSA-N 2 1 249.402 2.006 20 0 BEADMP C[C@H]([NH3+])[C@H]([NH2+]CCCC[NH+](C)C)c1ccccc1 ZINC000925522792 633896024 /nfs/dbraw/zinc/89/60/24/633896024.db2.gz USVRWROFZALYSA-ZFWWWQNUSA-N 3 1 249.402 2.006 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@@H]1C ZINC000309748627 634000836 /nfs/dbraw/zinc/00/08/36/634000836.db2.gz JXDNBIASXMYRPC-NTZNESFSSA-N 2 1 221.348 2.216 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000925602215 634130107 /nfs/dbraw/zinc/13/01/07/634130107.db2.gz RLYYFKFPMNUXGD-MLGOLLRUSA-N 2 1 244.382 2.132 20 0 BEADMP C[C@@H]1CCC[N@@H+]1CC[NH2+]CCC(C)(C)C ZINC000053343213 634168736 /nfs/dbraw/zinc/16/87/36/634168736.db2.gz XOSCJLBXTUWZCT-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@H]1CCC[N@H+]1CC[NH2+]CCC(C)(C)C ZINC000053343213 634168744 /nfs/dbraw/zinc/16/87/44/634168744.db2.gz XOSCJLBXTUWZCT-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000925682914 634284753 /nfs/dbraw/zinc/28/47/53/634284753.db2.gz HMTBLZDPDYBIGC-ZJUUUORDSA-N 2 1 232.318 2.152 20 0 BEADMP FC1(F)CCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925683382 634286932 /nfs/dbraw/zinc/28/69/32/634286932.db2.gz PPQBQHGBKXFKPH-MNOVXSKESA-N 2 1 244.329 2.296 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000925684763 634294472 /nfs/dbraw/zinc/29/44/72/634294472.db2.gz IZLKAJKAMCCYOS-KOLCDFICSA-N 2 1 232.318 2.152 20 0 BEADMP C[C@@H](N)[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccccc1 ZINC000925693171 634327024 /nfs/dbraw/zinc/32/70/24/634327024.db2.gz LSJZTQIPFWAFGQ-QHSBEEBCSA-N 2 1 248.370 2.232 20 0 BEADMP CC(C)c1ccc(CC[NH2+]CC2([NH3+])CC2)cc1 ZINC000259034601 635234714 /nfs/dbraw/zinc/23/47/14/635234714.db2.gz ILHUUYGBGGMJAD-UHFFFAOYSA-N 2 1 232.371 2.433 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1C ZINC000094338849 635299637 /nfs/dbraw/zinc/29/96/37/635299637.db2.gz MANXCNSPESYZGM-OCCSQVGLSA-N 2 1 248.370 2.173 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000094522061 635368292 /nfs/dbraw/zinc/36/82/92/635368292.db2.gz VJBMVZVMOBFTNT-CYBMUJFWSA-N 2 1 230.355 2.345 20 0 BEADMP Cc1ccc(NCCNc2cc[nH+]cc2C)[nH+]c1 ZINC000896455240 636194140 /nfs/dbraw/zinc/19/41/40/636194140.db2.gz DZBOOUYWQISFML-UHFFFAOYSA-N 2 1 242.326 2.039 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CC[N@@H+]1C ZINC000925143525 636296014 /nfs/dbraw/zinc/29/60/14/636296014.db2.gz QRNOWPHGSKNJHM-XLWJZTARSA-N 2 1 234.387 2.413 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CC[N@H+]1C ZINC000925143525 636296018 /nfs/dbraw/zinc/29/60/18/636296018.db2.gz QRNOWPHGSKNJHM-XLWJZTARSA-N 2 1 234.387 2.413 20 0 BEADMP CCO[C@@H](C[NH2+][C@@H](C)CC1CCC1)C[NH+](C)C ZINC000926962784 636973773 /nfs/dbraw/zinc/97/37/73/636973773.db2.gz MVCKSKIEQRIYBD-JSGCOSHPSA-N 2 1 242.407 2.121 20 0 BEADMP CCO[C@H](C[NH2+][C@@H](C)CC(C)(C)C)C[NH+](C)C ZINC000926961474 636974442 /nfs/dbraw/zinc/97/44/42/636974442.db2.gz PAWXETUGGMIWHX-QWHCGFSZSA-N 2 1 244.423 2.367 20 0 BEADMP CNc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000902266766 637289070 /nfs/dbraw/zinc/28/90/70/637289070.db2.gz UHFQBHOHBPMOPX-JSGCOSHPSA-N 2 1 247.386 2.301 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000902751911 637330505 /nfs/dbraw/zinc/33/05/05/637330505.db2.gz DBDKQPGZXWIPKU-MGPQQGTHSA-N 2 1 236.403 2.497 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902751910 637331457 /nfs/dbraw/zinc/33/14/57/637331457.db2.gz DBDKQPGZXWIPKU-APIJFGDWSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1ccc2c(c1)C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)CC2 ZINC000903463645 637365191 /nfs/dbraw/zinc/36/51/91/637365191.db2.gz HPEQAEGZKKZQJR-CJNGLKHVSA-N 2 1 244.382 2.481 20 0 BEADMP C[N@@H+](Cc1cccc(O)c1)C[C@@H]1CCCC[NH2+]C1 ZINC000903724140 637378297 /nfs/dbraw/zinc/37/82/97/637378297.db2.gz LGVOEGUBXWMHKB-CQSZACIVSA-N 2 1 248.370 2.214 20 0 BEADMP C[N@H+](Cc1cccc(O)c1)C[C@@H]1CCCC[NH2+]C1 ZINC000903724140 637378300 /nfs/dbraw/zinc/37/83/00/637378300.db2.gz LGVOEGUBXWMHKB-CQSZACIVSA-N 2 1 248.370 2.214 20 0 BEADMP C[C@]1(C[NH2+][C@H]2CCCc3cccnc32)CC[NH2+]C1 ZINC000904427957 637398913 /nfs/dbraw/zinc/39/89/13/637398913.db2.gz BMDFWLJOAPHEDA-ZFWWWQNUSA-N 2 1 245.370 2.048 20 0 BEADMP CC1(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC000904431522 637400153 /nfs/dbraw/zinc/40/01/53/637400153.db2.gz VQQPVNUCJYBROV-CYBMUJFWSA-N 2 1 208.349 2.005 20 0 BEADMP CC1(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC000904431522 637400159 /nfs/dbraw/zinc/40/01/59/637400159.db2.gz VQQPVNUCJYBROV-CYBMUJFWSA-N 2 1 208.349 2.005 20 0 BEADMP CC1(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC000904431523 637401404 /nfs/dbraw/zinc/40/14/04/637401404.db2.gz VQQPVNUCJYBROV-ZDUSSCGKSA-N 2 1 208.349 2.005 20 0 BEADMP CC1(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC000904431523 637401412 /nfs/dbraw/zinc/40/14/12/637401412.db2.gz VQQPVNUCJYBROV-ZDUSSCGKSA-N 2 1 208.349 2.005 20 0 BEADMP C[C@@H](C[NH2+][C@@H]1C[NH2+]CC1(C)C)Cc1ccccc1 ZINC000904461974 637406909 /nfs/dbraw/zinc/40/69/09/637406909.db2.gz NCTVTYDHRWPJFS-UKRRQHHQSA-N 2 1 246.398 2.453 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000904443482 637411021 /nfs/dbraw/zinc/41/10/21/637411021.db2.gz LTDGLDAVIJQLIN-OLZOCXBDSA-N 2 1 240.391 2.051 20 0 BEADMP C[N@H+]1CCCC[C@@H]1CCOc1ccncc1 ZINC000906508123 638179442 /nfs/dbraw/zinc/17/94/42/638179442.db2.gz VKZSNYCUNHKOGT-GFCCVEGCSA-N 2 1 220.316 2.335 20 0 BEADMP C[N@H+]1CCCC[C@H]1CCOc1ccncc1 ZINC000906508124 638179573 /nfs/dbraw/zinc/17/95/73/638179573.db2.gz VKZSNYCUNHKOGT-LBPRGKRZSA-N 2 1 220.316 2.335 20 0 BEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2F)C1 ZINC000906518370 638186721 /nfs/dbraw/zinc/18/67/21/638186721.db2.gz XLSCHVJVIKGCLR-KYZUINATSA-N 2 1 228.698 2.058 20 0 BEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000906518235 638187172 /nfs/dbraw/zinc/18/71/72/638187172.db2.gz UCKIAILVVJREOS-MGCOHNPYSA-N 2 1 228.698 2.058 20 0 BEADMP CCCC[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000906530043 638189325 /nfs/dbraw/zinc/18/93/25/638189325.db2.gz WHCYDAAHMIRTGD-ZDUSSCGKSA-N 2 1 212.381 2.497 20 0 BEADMP CCCC[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000906525992 638189828 /nfs/dbraw/zinc/18/98/28/638189828.db2.gz ATQLQRUUFCYQAG-LLVKDONJSA-N 2 1 209.337 2.217 20 0 BEADMP C[C@@H]1CCC[N@@H+](CCOC2CC2)[C@@H]1CCC[NH3+] ZINC000711786410 711466938 /nfs/dbraw/zinc/46/69/38/711466938.db2.gz NVSAUFRSPMEHRT-TZMCWYRMSA-N 2 1 240.391 2.005 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000930558924 639811041 /nfs/dbraw/zinc/81/10/41/639811041.db2.gz QJOOYZYRRGGNHG-RDBSUJKOSA-N 2 1 222.376 2.060 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000930558924 639811042 /nfs/dbraw/zinc/81/10/42/639811042.db2.gz QJOOYZYRRGGNHG-RDBSUJKOSA-N 2 1 222.376 2.060 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000930558924 639811043 /nfs/dbraw/zinc/81/10/43/639811043.db2.gz QJOOYZYRRGGNHG-RDBSUJKOSA-N 2 1 222.376 2.060 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000930601077 639816625 /nfs/dbraw/zinc/81/66/25/639816625.db2.gz CUXQJJJZVWZYIP-QLFBSQMISA-N 2 1 236.403 2.450 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000930601077 639816626 /nfs/dbraw/zinc/81/66/26/639816626.db2.gz CUXQJJJZVWZYIP-QLFBSQMISA-N 2 1 236.403 2.450 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000930601077 639816627 /nfs/dbraw/zinc/81/66/27/639816627.db2.gz CUXQJJJZVWZYIP-QLFBSQMISA-N 2 1 236.403 2.450 20 0 BEADMP C[C@@H](C1CC1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000930602256 639817224 /nfs/dbraw/zinc/81/72/24/639817224.db2.gz OLYWYGRYUYLNBP-JSGCOSHPSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H](C1CC1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000930602256 639817225 /nfs/dbraw/zinc/81/72/25/639817225.db2.gz OLYWYGRYUYLNBP-JSGCOSHPSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H](C1CC1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000930602256 639817226 /nfs/dbraw/zinc/81/72/26/639817226.db2.gz OLYWYGRYUYLNBP-JSGCOSHPSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1CO[C@@H](C)C[N@H+]1CCCCCCC[NH3+] ZINC000035787403 639945253 /nfs/dbraw/zinc/94/52/53/639945253.db2.gz DVTBGNYSBNZVBI-OLZOCXBDSA-N 2 1 228.380 2.005 20 0 BEADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCC3=CCCCC3)C[C@H]21 ZINC000931278091 640129226 /nfs/dbraw/zinc/12/92/26/640129226.db2.gz XGWZKPRXNQODGQ-FICVDOATSA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21 ZINC000931278091 640129229 /nfs/dbraw/zinc/12/92/29/640129229.db2.gz XGWZKPRXNQODGQ-FICVDOATSA-N 2 1 234.387 2.369 20 0 BEADMP Cc1ccc(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1 ZINC000931279321 640132351 /nfs/dbraw/zinc/13/23/51/640132351.db2.gz ASKXZQXTAHZQOB-ZSHCYNCHSA-N 2 1 244.382 2.029 20 0 BEADMP Cc1ccc(CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1 ZINC000931279321 640132354 /nfs/dbraw/zinc/13/23/54/640132354.db2.gz ASKXZQXTAHZQOB-ZSHCYNCHSA-N 2 1 244.382 2.029 20 0 BEADMP CC[C@H](C)C[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931309854 640146519 /nfs/dbraw/zinc/14/65/19/640146519.db2.gz HFYYONGDMCBAFE-MELADBBJSA-N 2 1 224.392 2.306 20 0 BEADMP CC[C@H](C)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931309854 640146523 /nfs/dbraw/zinc/14/65/23/640146523.db2.gz HFYYONGDMCBAFE-MELADBBJSA-N 2 1 224.392 2.306 20 0 BEADMP CC[C@H](C)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931309854 640146529 /nfs/dbraw/zinc/14/65/29/640146529.db2.gz HFYYONGDMCBAFE-MELADBBJSA-N 2 1 224.392 2.306 20 0 BEADMP CC[C@H](C)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931309854 640146534 /nfs/dbraw/zinc/14/65/34/640146534.db2.gz HFYYONGDMCBAFE-MELADBBJSA-N 2 1 224.392 2.306 20 0 BEADMP CC[C@H](C)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931309854 640146540 /nfs/dbraw/zinc/14/65/40/640146540.db2.gz HFYYONGDMCBAFE-MELADBBJSA-N 2 1 224.392 2.306 20 0 BEADMP CN1C[C@]2(C)C[N@H+]([C@@H]3C=CCCC3)C[C@]2(C)C1 ZINC000931310718 640146717 /nfs/dbraw/zinc/14/67/17/640146717.db2.gz MMEUWTRTHTYHIN-KFWWJZLASA-N 2 1 234.387 2.369 20 0 BEADMP C[N@@H+]1C[C@]2(C)C[NH+]([C@@H]3C=CCCC3)C[C@]2(C)C1 ZINC000931310718 640146725 /nfs/dbraw/zinc/14/67/25/640146725.db2.gz MMEUWTRTHTYHIN-KFWWJZLASA-N 2 1 234.387 2.369 20 0 BEADMP C[N@H+]1C[C@]2(C)C[NH+]([C@@H]3C=CCCC3)C[C@]2(C)C1 ZINC000931310718 640146736 /nfs/dbraw/zinc/14/67/36/640146736.db2.gz MMEUWTRTHTYHIN-KFWWJZLASA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1C[C@]2(C)C[N@@H+]([C@@H]3C=CCCC3)C[C@]2(C)C1 ZINC000931310718 640146742 /nfs/dbraw/zinc/14/67/42/640146742.db2.gz MMEUWTRTHTYHIN-KFWWJZLASA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1C[C@]2(C)C[N@H+]([C@@H]3C=CCCC3)C[C@]2(C)C1 ZINC000931310718 640146747 /nfs/dbraw/zinc/14/67/47/640146747.db2.gz MMEUWTRTHTYHIN-KFWWJZLASA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1C[C@@]2(C)C[NH+](CCC3CC3)C[C@]2(C)C1 ZINC000931311176 640148321 /nfs/dbraw/zinc/14/83/21/640148321.db2.gz OKOLVMHSCWGXOC-KBPBESRZSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+]1C[C@@]2(C)C[NH+](CCCC3CC3)C[C@]2(C)C1 ZINC000931313422 640149134 /nfs/dbraw/zinc/14/91/34/640149134.db2.gz BHADAGPAXDGXMR-GJZGRUSLSA-N 2 1 236.403 2.450 20 0 BEADMP C[N@@H+]1C[C@]2(C)C[NH+](CC3(C)CCC3)C[C@]2(C)C1 ZINC000931313802 640150256 /nfs/dbraw/zinc/15/02/56/640150256.db2.gz FZXRWVOVNADETL-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP C[N@H+]1C[C@]2(C)C[NH+](CC3(C)CCC3)C[C@]2(C)C1 ZINC000931313802 640150257 /nfs/dbraw/zinc/15/02/57/640150257.db2.gz FZXRWVOVNADETL-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1C[C@]2(C)C[N@H+](CC3(C)CCC3)C[C@]2(C)C1 ZINC000931313802 640150258 /nfs/dbraw/zinc/15/02/58/640150258.db2.gz FZXRWVOVNADETL-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1C[C@]2(C)C[N@@H+](CC3(C)CCC3)C[C@]2(C)C1 ZINC000931313802 640150259 /nfs/dbraw/zinc/15/02/59/640150259.db2.gz FZXRWVOVNADETL-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931516375 640246202 /nfs/dbraw/zinc/24/62/02/640246202.db2.gz MTUCMFVTLNKCDI-MNOVXSKESA-N 2 1 231.343 2.068 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931516375 640246212 /nfs/dbraw/zinc/24/62/12/640246212.db2.gz MTUCMFVTLNKCDI-MNOVXSKESA-N 2 1 231.343 2.068 20 0 BEADMP CC[C@@H]1C[C@H]1CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000931545807 640266574 /nfs/dbraw/zinc/26/65/74/640266574.db2.gz GJPZUCFKFZDNSZ-YIYPIFLZSA-N 2 1 222.376 2.059 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000931545807 640266583 /nfs/dbraw/zinc/26/65/83/640266583.db2.gz GJPZUCFKFZDNSZ-YIYPIFLZSA-N 2 1 222.376 2.059 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000931545807 640266587 /nfs/dbraw/zinc/26/65/87/640266587.db2.gz GJPZUCFKFZDNSZ-YIYPIFLZSA-N 2 1 222.376 2.059 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000931545807 640266594 /nfs/dbraw/zinc/26/65/94/640266594.db2.gz GJPZUCFKFZDNSZ-YIYPIFLZSA-N 2 1 222.376 2.059 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000931545807 640266598 /nfs/dbraw/zinc/26/65/98/640266598.db2.gz GJPZUCFKFZDNSZ-YIYPIFLZSA-N 2 1 222.376 2.059 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1c[nH]cn1 ZINC000054763211 640403643 /nfs/dbraw/zinc/40/36/43/640403643.db2.gz XBIZATQYWLZZFV-LBPRGKRZSA-N 2 1 238.379 2.010 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCCC2)C1 ZINC000163726708 640414533 /nfs/dbraw/zinc/41/45/33/640414533.db2.gz NQNZUNQUHXQBKY-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP COc1ccccc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000055144478 640439862 /nfs/dbraw/zinc/43/98/62/640439862.db2.gz BXDVGPLVAWYAPC-UHFFFAOYSA-N 2 1 248.370 2.397 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC000226331522 640748254 /nfs/dbraw/zinc/74/82/54/640748254.db2.gz AKGQDDMJMODQML-RWMBFGLXSA-N 2 1 233.359 2.202 20 0 BEADMP CC(C)SCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933731904 640754472 /nfs/dbraw/zinc/75/44/72/640754472.db2.gz JBXBWUHNKYWZAA-QWHCGFSZSA-N 2 1 242.432 2.012 20 0 BEADMP CC/C=C\CC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933735230 640758081 /nfs/dbraw/zinc/75/80/81/640758081.db2.gz GXAYAEISPKGERA-MEWZEZIVSA-N 2 1 222.376 2.226 20 0 BEADMP CC/C=C\CC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933735230 640758085 /nfs/dbraw/zinc/75/80/85/640758085.db2.gz GXAYAEISPKGERA-MEWZEZIVSA-N 2 1 222.376 2.226 20 0 BEADMP CC/C=C\CC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933735230 640758088 /nfs/dbraw/zinc/75/80/88/640758088.db2.gz GXAYAEISPKGERA-MEWZEZIVSA-N 2 1 222.376 2.226 20 0 BEADMP c1ccc([C@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000227086539 640815371 /nfs/dbraw/zinc/81/53/71/640815371.db2.gz GMSNDDHMMIXEQL-HOCLYGCPSA-N 2 1 244.382 2.476 20 0 BEADMP C([C@H]1CCC[NH2+]1)[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000227649846 640844076 /nfs/dbraw/zinc/84/40/76/640844076.db2.gz FCBHVLLQMLDUJW-UPJWGTAASA-N 2 1 208.349 2.003 20 0 BEADMP CO[C@H]1C[N@@H+](CCCCCCC[NH3+])CC[C@@H]1C ZINC000230310672 641045499 /nfs/dbraw/zinc/04/54/99/641045499.db2.gz KSNULFSRECTKKI-KBPBESRZSA-N 2 1 242.407 2.252 20 0 BEADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C[Si](C)(C)C ZINC000172350633 641056265 /nfs/dbraw/zinc/05/62/65/641056265.db2.gz CDTMBZSEMFWZCL-GFCCVEGCSA-N 2 1 228.456 2.137 20 0 BEADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C[Si](C)(C)C ZINC000172350633 641056268 /nfs/dbraw/zinc/05/62/68/641056268.db2.gz CDTMBZSEMFWZCL-GFCCVEGCSA-N 2 1 228.456 2.137 20 0 BEADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C[Si](C)(C)C ZINC000172350633 641056271 /nfs/dbraw/zinc/05/62/71/641056271.db2.gz CDTMBZSEMFWZCL-GFCCVEGCSA-N 2 1 228.456 2.137 20 0 BEADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C[Si](C)(C)C ZINC000172350633 641056275 /nfs/dbraw/zinc/05/62/75/641056275.db2.gz CDTMBZSEMFWZCL-GFCCVEGCSA-N 2 1 228.456 2.137 20 0 BEADMP C[C@H](Cc1cccnc1)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000934233020 641109658 /nfs/dbraw/zinc/10/96/58/641109658.db2.gz HNJYTATYGRGVSK-UKRRQHHQSA-N 2 1 247.386 2.087 20 0 BEADMP C[C@@H](Cc1cccnc1)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000934233021 641110020 /nfs/dbraw/zinc/11/00/20/641110020.db2.gz HNJYTATYGRGVSK-ZFWWWQNUSA-N 2 1 247.386 2.087 20 0 BEADMP CC(C)[C@@H](c1ccccc1)[N@H+](C)CCN ZINC000063019979 641120647 /nfs/dbraw/zinc/12/06/47/641120647.db2.gz MAIPTTNJFGTIEH-ZDUSSCGKSA-N 2 1 206.333 2.274 20 0 BEADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)CCN ZINC000063019979 641120652 /nfs/dbraw/zinc/12/06/52/641120652.db2.gz MAIPTTNJFGTIEH-ZDUSSCGKSA-N 2 1 206.333 2.274 20 0 BEADMP CC(C)[C@@H](c1ccccc1)[N@H+](C)CC[NH3+] ZINC000063019979 641120656 /nfs/dbraw/zinc/12/06/56/641120656.db2.gz MAIPTTNJFGTIEH-ZDUSSCGKSA-N 2 1 206.333 2.274 20 0 BEADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)CC[NH3+] ZINC000063019979 641120659 /nfs/dbraw/zinc/12/06/59/641120659.db2.gz MAIPTTNJFGTIEH-ZDUSSCGKSA-N 2 1 206.333 2.274 20 0 BEADMP C[C@H]1CC[C@@H](C[N@@H+](C)C2(C[NH3+])CCCCC2)O1 ZINC000231997411 641221827 /nfs/dbraw/zinc/22/18/27/641221827.db2.gz FZLKOUQJCFDYAO-STQMWFEESA-N 2 1 240.391 2.147 20 0 BEADMP CSCC(C)(C)[NH2+]CCCn1cc[nH+]c1C ZINC000934671165 641241433 /nfs/dbraw/zinc/24/14/33/641241433.db2.gz YOWBATBTEVOIDY-UHFFFAOYSA-N 2 1 241.404 2.313 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000076685511 641820319 /nfs/dbraw/zinc/82/03/19/641820319.db2.gz WBPXJQAICUOCLP-SNVBAGLBSA-N 2 1 240.297 2.136 20 0 BEADMP CC[N@@H+](CC(C)C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000233461724 642673127 /nfs/dbraw/zinc/67/31/27/642673127.db2.gz UBVWLVHWMKHXQM-STQMWFEESA-N 2 1 212.381 2.352 20 0 BEADMP C[C@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)Cc2ccccc21 ZINC000843356220 643363374 /nfs/dbraw/zinc/36/33/74/643363374.db2.gz HTVRRHIWVARPAI-STQMWFEESA-N 2 1 230.355 2.215 20 0 BEADMP [NH3+]C[C@H]1CCCC[N@@H+]1CCc1cccs1 ZINC000082602399 643515548 /nfs/dbraw/zinc/51/55/48/643515548.db2.gz DDRNYQTWESOTCZ-LLVKDONJSA-N 2 1 224.373 2.104 20 0 BEADMP [NH3+]C[C@H]1CCCC[N@H+]1CCc1cccs1 ZINC000082602399 643515570 /nfs/dbraw/zinc/51/55/70/643515570.db2.gz DDRNYQTWESOTCZ-LLVKDONJSA-N 2 1 224.373 2.104 20 0 BEADMP C[C@@H]1c2cccn2CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000788010018 643596572 /nfs/dbraw/zinc/59/65/72/643596572.db2.gz QISYTZGASBDLDR-CYBMUJFWSA-N 2 1 247.386 2.207 20 0 BEADMP C[C@@H]1c2cccn2CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000788010018 643596580 /nfs/dbraw/zinc/59/65/80/643596580.db2.gz QISYTZGASBDLDR-CYBMUJFWSA-N 2 1 247.386 2.207 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000083701650 643617193 /nfs/dbraw/zinc/61/71/93/643617193.db2.gz MMMVVORZNAAQQD-MQYQWHSLSA-N 2 1 222.376 2.106 20 0 BEADMP CSc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000050245421 643660661 /nfs/dbraw/zinc/66/06/61/643660661.db2.gz MNXUTDILRALDNX-LBPRGKRZSA-N 2 1 236.384 2.189 20 0 BEADMP [NH3+]C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000050245417 643661408 /nfs/dbraw/zinc/66/14/08/643661408.db2.gz UAOKAJPZOQMLJV-NSHDSACASA-N 2 1 224.735 2.121 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000050245417 643661409 /nfs/dbraw/zinc/66/14/09/643661409.db2.gz UAOKAJPZOQMLJV-NSHDSACASA-N 2 1 224.735 2.121 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CC[C@H](C[NH3+])C2)c(C)c1 ZINC000050245255 643661878 /nfs/dbraw/zinc/66/18/78/643661878.db2.gz ZLLSVMOMWMXVQC-CQSZACIVSA-N 2 1 232.371 2.392 20 0 BEADMP C[C@H]([N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1)C(C)(C)C ZINC000085015396 643678914 /nfs/dbraw/zinc/67/89/14/643678914.db2.gz ZIBDKXXTGUPSRV-TUAOUCFPSA-N 2 1 212.381 2.480 20 0 BEADMP CCc1cnc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000234252100 643688128 /nfs/dbraw/zinc/68/81/28/643688128.db2.gz SOYYJCFXFQPUDN-VHSXEESVSA-N 2 1 239.388 2.065 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000354345058 643771649 /nfs/dbraw/zinc/77/16/49/643771649.db2.gz BEUUSFFGGRVOKO-OLZOCXBDSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[NH2+]C1 ZINC000086726782 644167732 /nfs/dbraw/zinc/16/77/32/644167732.db2.gz SZDLGWSWJSWCRM-JQWIXIFHSA-N 2 1 238.762 2.223 20 0 BEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)[C@]12C[C@H]1CCC2 ZINC000922962954 644203783 /nfs/dbraw/zinc/20/37/83/644203783.db2.gz OLRPGPXNYVXLTG-QPSCCSFWSA-N 2 1 234.387 2.393 20 0 BEADMP CCCCCC[C@@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000923367247 644377957 /nfs/dbraw/zinc/37/79/57/644377957.db2.gz DRCGRCFVOQQYEG-CHWSQXEVSA-N 2 1 244.423 2.281 20 0 BEADMP Fc1cccc(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000923359372 644383673 /nfs/dbraw/zinc/38/36/73/644383673.db2.gz QQKBYKFFMCRZKD-HIFRSBDPSA-N 2 1 248.345 2.052 20 0 BEADMP Fc1cccc(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000923359372 644383678 /nfs/dbraw/zinc/38/36/78/644383678.db2.gz QQKBYKFFMCRZKD-HIFRSBDPSA-N 2 1 248.345 2.052 20 0 BEADMP CCCCCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000923392204 644399624 /nfs/dbraw/zinc/39/96/24/644399624.db2.gz IIOZYAKZXCMRGU-MJBXVCDLSA-N 2 1 242.407 2.129 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CC1CCC2(CC2)CC1 ZINC000923411284 644413872 /nfs/dbraw/zinc/41/38/72/644413872.db2.gz BZSHAZHMAKUXQQ-WCQYABFASA-N 2 1 222.376 2.378 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CC1CCC2(CC2)CC1 ZINC000923411284 644413876 /nfs/dbraw/zinc/41/38/76/644413876.db2.gz BZSHAZHMAKUXQQ-WCQYABFASA-N 2 1 222.376 2.378 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CC1CCC2(CC2)CC1 ZINC000923411283 644414158 /nfs/dbraw/zinc/41/41/58/644414158.db2.gz BZSHAZHMAKUXQQ-DGCLKSJQSA-N 2 1 222.376 2.378 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CC1CCC2(CC2)CC1 ZINC000923411283 644414161 /nfs/dbraw/zinc/41/41/61/644414161.db2.gz BZSHAZHMAKUXQQ-DGCLKSJQSA-N 2 1 222.376 2.378 20 0 BEADMP C(C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000923454299 644443233 /nfs/dbraw/zinc/44/32/33/644443233.db2.gz GAMUQMOXJWCXHC-LJISPDSOSA-N 2 1 234.387 2.106 20 0 BEADMP C(C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000923454299 644443237 /nfs/dbraw/zinc/44/32/37/644443237.db2.gz GAMUQMOXJWCXHC-LJISPDSOSA-N 2 1 234.387 2.106 20 0 BEADMP C[C@@H]1C[N@@H+](CCCCCF)CC[C@H]1C[NH3+] ZINC000923495296 644461019 /nfs/dbraw/zinc/46/10/19/644461019.db2.gz BGEOUJUQBIWVCF-NEPJUHHUSA-N 2 1 216.344 2.043 20 0 BEADMP C[C@H]1C[N@@H+](CC2CC(C)(C)C2)CC[C@@H]1C[NH3+] ZINC000923489832 644465517 /nfs/dbraw/zinc/46/55/17/644465517.db2.gz LQHWOVBKBYSZJF-WCQYABFASA-N 2 1 224.392 2.339 20 0 BEADMP C[C@H]1C[N@@H+](CCCC2CC2)CC[C@@H]1C[NH3+] ZINC000923492586 644467242 /nfs/dbraw/zinc/46/72/42/644467242.db2.gz XLVNQWHZORKTIB-WCQYABFASA-N 2 1 210.365 2.093 20 0 BEADMP Cc1ccc(CC[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923498336 644472023 /nfs/dbraw/zinc/47/20/23/644472023.db2.gz OEQOSNWYPHSVLZ-GOEBONIOSA-N 2 1 246.398 2.454 20 0 BEADMP C(C1CCC2(CC2)CC1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516002 644480558 /nfs/dbraw/zinc/48/05/58/644480558.db2.gz QHBMLJUHDYHQGA-LSDHHAIUSA-N 2 1 248.414 2.498 20 0 BEADMP C[C@@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C(C)(C)C ZINC000923515784 644480602 /nfs/dbraw/zinc/48/06/02/644480602.db2.gz MCNNFYDAQMKNOB-RWMBFGLXSA-N 2 1 224.392 2.210 20 0 BEADMP Cc1ccccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519037 644482411 /nfs/dbraw/zinc/48/24/11/644482411.db2.gz AJGFMFOSYZCSFD-LSDHHAIUSA-N 2 1 230.355 2.036 20 0 BEADMP C[C@H]1CCCC[C@H]1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518954 644482686 /nfs/dbraw/zinc/48/26/86/644482686.db2.gz HIWPOJOMFQZTPR-ZQDZILKHSA-N 2 1 236.403 2.354 20 0 BEADMP C[C@]1(Cc2cccs2)CCC[N@H+]1CCC[NH3+] ZINC000923529316 644485115 /nfs/dbraw/zinc/48/51/15/644485115.db2.gz CSISTSMWECEIJJ-CYBMUJFWSA-N 2 1 238.400 2.494 20 0 BEADMP C=C/C=C\CC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530941 644487977 /nfs/dbraw/zinc/48/79/77/644487977.db2.gz NIZVPJVIOYNMMJ-NQHOJNORSA-N 2 1 220.360 2.337 20 0 BEADMP C=C/C=C\CC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530941 644487981 /nfs/dbraw/zinc/48/79/81/644487981.db2.gz NIZVPJVIOYNMMJ-NQHOJNORSA-N 2 1 220.360 2.337 20 0 BEADMP COCCCCC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923533132 644490325 /nfs/dbraw/zinc/49/03/25/644490325.db2.gz FKVXZLHYDCHFQO-CQSZACIVSA-N 2 1 240.391 2.021 20 0 BEADMP COCCCCC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923533132 644490327 /nfs/dbraw/zinc/49/03/27/644490327.db2.gz FKVXZLHYDCHFQO-CQSZACIVSA-N 2 1 240.391 2.021 20 0 BEADMP C[NH+]1CCC([NH2+][C@H](C2CC2)C(C)(C)C)CC1 ZINC000324336251 644525492 /nfs/dbraw/zinc/52/54/92/644525492.db2.gz CJUSCTLBJARSOK-CYBMUJFWSA-N 2 1 224.392 2.495 20 0 BEADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(F)cc1 ZINC000089749198 644565318 /nfs/dbraw/zinc/56/53/18/644565318.db2.gz DPZBKSDBMHRHKP-GFCCVEGCSA-N 2 1 236.334 2.257 20 0 BEADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1F ZINC000089749191 644565540 /nfs/dbraw/zinc/56/55/40/644565540.db2.gz MHJPPKKOIWHZNJ-LBPRGKRZSA-N 2 1 236.334 2.257 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000251764405 644820381 /nfs/dbraw/zinc/82/03/81/644820381.db2.gz DTTPXXKDUUTOLF-HZSPNIEDSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CCCC2)CC[C@H]1C[NH3+] ZINC000251836167 644825065 /nfs/dbraw/zinc/82/50/65/644825065.db2.gz PZPJIZOQRIANKW-YPMHNXCESA-N 2 1 210.365 2.093 20 0 BEADMP C[C@H]1C[N@@H+](CCc2ccccc2)CC[C@H]1C[NH3+] ZINC000251855541 644828014 /nfs/dbraw/zinc/82/80/14/644828014.db2.gz RYAXDYAIASELGX-ZFWWWQNUSA-N 2 1 232.371 2.146 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000252140932 644836375 /nfs/dbraw/zinc/83/63/75/644836375.db2.gz MGMANOWYINNTSM-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000252175028 644840831 /nfs/dbraw/zinc/84/08/31/644840831.db2.gz OTVUZVBOQLUANX-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCSC1 ZINC000252196660 644842909 /nfs/dbraw/zinc/84/29/09/644842909.db2.gz SMJFOKQZKVIBGJ-STQMWFEESA-N 2 1 242.432 2.346 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000415141987 644884511 /nfs/dbraw/zinc/88/45/11/644884511.db2.gz QFBKYCGTCAATEG-KBPBESRZSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000415135602 644886024 /nfs/dbraw/zinc/88/60/24/644886024.db2.gz GJNRDVJHXIPHDI-QWHCGFSZSA-N 2 1 210.365 2.251 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000926642647 645329706 /nfs/dbraw/zinc/32/97/06/645329706.db2.gz QYJJFECVWKWUBD-SPETUVNMSA-N 2 1 234.387 2.105 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000844924463 645350249 /nfs/dbraw/zinc/35/02/49/645350249.db2.gz QPKSEDFIDKUDGI-WRWGMCAJSA-N 2 1 248.773 2.279 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000844924457 645350769 /nfs/dbraw/zinc/35/07/69/645350769.db2.gz QPKSEDFIDKUDGI-KXNHARMFSA-N 2 1 248.773 2.279 20 0 BEADMP C[NH+]1CCC([NH2+]CC[C@@]2(C)C[C@]2(F)Cl)CC1 ZINC000846037851 645389884 /nfs/dbraw/zinc/38/98/84/645389884.db2.gz MTOUADMJPGDVIO-NWDGAFQWSA-N 2 1 248.773 2.375 20 0 BEADMP C[NH+]1CCC([NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)CC1 ZINC000846037852 645390158 /nfs/dbraw/zinc/39/01/58/645390158.db2.gz MTOUADMJPGDVIO-RYUDHWBXSA-N 2 1 248.773 2.375 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CC(C)(C)C1 ZINC000926731286 645393438 /nfs/dbraw/zinc/39/34/38/645393438.db2.gz AKBDVYZFINQXJT-QYJAPNMZSA-N 2 1 222.376 2.105 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CCS[C@H](C)C2)CC1 ZINC000927033440 645531995 /nfs/dbraw/zinc/53/19/95/645531995.db2.gz SRSZWCXLXKKBEU-DGCLKSJQSA-N 2 1 242.432 2.344 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@]23C[C@H]2CCC3)CC[N@H+]1C ZINC000927120142 645555374 /nfs/dbraw/zinc/55/53/74/645555374.db2.gz SSAGLKPLSSTXRY-MQYQWHSLSA-N 2 1 222.376 2.249 20 0 BEADMP [NH3+]C[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC000011891295 645652853 /nfs/dbraw/zinc/65/28/53/645652853.db2.gz CADJNAXMJMAPQX-SNVBAGLBSA-N 2 1 224.735 2.121 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC000011891295 645652862 /nfs/dbraw/zinc/65/28/62/645652862.db2.gz CADJNAXMJMAPQX-SNVBAGLBSA-N 2 1 224.735 2.121 20 0 BEADMP CCCC[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925493803 645718629 /nfs/dbraw/zinc/71/86/29/645718629.db2.gz LZIFZXZZUYEHAZ-YPMHNXCESA-N 2 1 206.333 2.465 20 0 BEADMP CSC[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925501339 645944640 /nfs/dbraw/zinc/94/46/40/645944640.db2.gz BYNNCKQPZXDWRL-WDEREUQCSA-N 2 1 228.405 2.002 20 0 BEADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)Cc1ccccn1 ZINC000924616225 646076472 /nfs/dbraw/zinc/07/64/72/646076472.db2.gz AJXHGCWGWNYEIY-CQSZACIVSA-N 2 1 249.402 2.333 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2[C@H](C)CC[C@@H]2C)C1 ZINC000924706232 646093716 /nfs/dbraw/zinc/09/37/16/646093716.db2.gz PCLATHIVVHKISM-RFQIPJPRSA-N 2 1 224.392 2.352 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924872445 646121728 /nfs/dbraw/zinc/12/17/28/646121728.db2.gz IJMVVGDFJNDYEQ-BFHYXJOUSA-N 2 1 231.343 2.136 20 0 BEADMP CC1CC(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000929696384 646251801 /nfs/dbraw/zinc/25/18/01/646251801.db2.gz LXVZALDTUQWOBI-SHARSMKWSA-N 2 1 236.403 2.450 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC=CCC1 ZINC000925438629 646284071 /nfs/dbraw/zinc/28/40/71/646284071.db2.gz ZHULRGWHZYREPX-RBKKPWLPSA-N 2 1 220.360 2.025 20 0 BEADMP C[C@H]([NH3+])[C@@H](NC[C@]1(C)CCOC1)c1ccccc1 ZINC000925489468 646299776 /nfs/dbraw/zinc/29/97/76/646299776.db2.gz ZECKEFPINOMOFT-CFVMTHIKSA-N 2 1 248.370 2.091 20 0 BEADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@]1(C)CCOC1)c1ccccc1 ZINC000925489468 646299782 /nfs/dbraw/zinc/29/97/82/646299782.db2.gz ZECKEFPINOMOFT-CFVMTHIKSA-N 2 1 248.370 2.091 20 0 BEADMP C[C@H](N)[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccccc1 ZINC000925490504 646300261 /nfs/dbraw/zinc/30/02/61/646300261.db2.gz OBFDYGMDQDWJQG-DJIHRAIXSA-N 2 1 204.317 2.073 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000929783374 646312727 /nfs/dbraw/zinc/31/27/27/646312727.db2.gz PYFLYORFLATQHM-RFQIPJPRSA-N 2 1 224.392 2.447 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000929783374 646312731 /nfs/dbraw/zinc/31/27/31/646312731.db2.gz PYFLYORFLATQHM-RFQIPJPRSA-N 2 1 224.392 2.447 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000929783374 646312736 /nfs/dbraw/zinc/31/27/36/646312736.db2.gz PYFLYORFLATQHM-RFQIPJPRSA-N 2 1 224.392 2.447 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000929783374 646312740 /nfs/dbraw/zinc/31/27/40/646312740.db2.gz PYFLYORFLATQHM-RFQIPJPRSA-N 2 1 224.392 2.447 20 0 BEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000925524497 646315917 /nfs/dbraw/zinc/31/59/17/646315917.db2.gz UMMIIZVVOZIFIS-AWEZNQCLSA-N 2 1 248.370 2.186 20 0 BEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCc1ccsc1 ZINC000925526841 646316490 /nfs/dbraw/zinc/31/64/90/646316490.db2.gz MNMKYHLZAXZOIR-LLVKDONJSA-N 2 1 224.373 2.021 20 0 BEADMP CCO[C@H](CC[NH2+][C@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000925525548 646317831 /nfs/dbraw/zinc/31/78/31/646317831.db2.gz DACPRFZOXPYGMT-MELADBBJSA-N 2 1 242.407 2.168 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000929847668 646359440 /nfs/dbraw/zinc/35/94/40/646359440.db2.gz NAJZWNJBDDSNHV-APIJFGDWSA-N 2 1 236.403 2.449 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000929847668 646359445 /nfs/dbraw/zinc/35/94/45/646359445.db2.gz NAJZWNJBDDSNHV-APIJFGDWSA-N 2 1 236.403 2.449 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000929847668 646359449 /nfs/dbraw/zinc/35/94/49/646359449.db2.gz NAJZWNJBDDSNHV-APIJFGDWSA-N 2 1 236.403 2.449 20 0 BEADMP CC(C)CSCCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925626335 646372441 /nfs/dbraw/zinc/37/24/41/646372441.db2.gz QAWCZNNFAGVOFF-QWHCGFSZSA-N 2 1 244.448 2.496 20 0 BEADMP CC(C)CSCCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925626336 646372918 /nfs/dbraw/zinc/37/29/18/646372918.db2.gz QAWCZNNFAGVOFF-STQMWFEESA-N 2 1 244.448 2.496 20 0 BEADMP Cc1ccsc1CC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925628929 646374538 /nfs/dbraw/zinc/37/45/38/646374538.db2.gz HOQKPXXCFAWYOJ-RYUDHWBXSA-N 2 1 238.400 2.329 20 0 BEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCc1cccs1 ZINC000925630897 646376425 /nfs/dbraw/zinc/37/64/25/646376425.db2.gz SHJAFAHWXZQINV-LBPRGKRZSA-N 2 1 238.400 2.411 20 0 BEADMP C1[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C12CCCC2 ZINC000925652697 646392867 /nfs/dbraw/zinc/39/28/67/646392867.db2.gz RXHVAAYHYUAPJX-NWDGAFQWSA-N 2 1 220.360 2.193 20 0 BEADMP Cc1cccc(CCC[NH2+][C@H]2CC[NH2+]C2(C)C)n1 ZINC000925666344 646398721 /nfs/dbraw/zinc/39/87/21/646398721.db2.gz RSQMUOQECMOMIQ-AWEZNQCLSA-N 2 1 247.386 2.053 20 0 BEADMP CC(C)SCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925672188 646403418 /nfs/dbraw/zinc/40/34/18/646403418.db2.gz TZAVHEKCSMJXMM-GFCCVEGCSA-N 2 1 242.432 2.392 20 0 BEADMP C1=C(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CCCC1 ZINC000925681899 646408626 /nfs/dbraw/zinc/40/86/26/646408626.db2.gz YNLDIQVGRRTZSM-CYBMUJFWSA-N 2 1 220.360 2.361 20 0 BEADMP CC(F)(F)CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925680834 646409404 /nfs/dbraw/zinc/40/94/04/646409404.db2.gz QUSZLQLEVQLUCK-JTQLQIEISA-N 2 1 232.318 2.296 20 0 BEADMP CC(C)[C@H]([NH3+])CN[C@H](CCC[NH3+])c1ccccc1 ZINC000925694253 646419347 /nfs/dbraw/zinc/41/93/47/646419347.db2.gz RMJOVGIIRFCWRO-HUUCEWRRSA-N 2 1 249.402 2.040 20 0 BEADMP CC1(C)[C@H](C[NH2+][C@@H]2CC[NH2+]C2(C)C)C1(F)F ZINC000925704200 646427290 /nfs/dbraw/zinc/42/72/90/646427290.db2.gz CJOLHHNAQTZIID-DTWKUNHWSA-N 2 1 232.318 2.008 20 0 BEADMP C1=C(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CCC1 ZINC000925705412 646429600 /nfs/dbraw/zinc/42/96/00/646429600.db2.gz HWCWTJHIDZWXMT-CYBMUJFWSA-N 2 1 220.360 2.361 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCC[C@H]1C=CCC1 ZINC000925731888 646456638 /nfs/dbraw/zinc/45/66/38/646456638.db2.gz VVQLHXRADDBQAR-IHRRRGAJSA-N 2 1 222.376 2.463 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(C)CC(F)(F)C1 ZINC000925734488 646457648 /nfs/dbraw/zinc/45/76/48/646457648.db2.gz RRGFHOZIMFOHTD-VHSXEESVSA-N 2 1 232.318 2.009 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000925766988 646469034 /nfs/dbraw/zinc/46/90/34/646469034.db2.gz VVMXYDIAEFFGTG-MBJXGIAVSA-N 2 1 222.376 2.153 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C)c1c[nH+]ccc1N ZINC000925773446 646473099 /nfs/dbraw/zinc/47/30/99/646473099.db2.gz NSCJXQKZLTWAFZ-SJHCENCUSA-N 2 1 245.370 2.437 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccns1 ZINC000925811897 646490162 /nfs/dbraw/zinc/49/01/62/646490162.db2.gz FWOJXWRTHRWPNN-NXEZZACHSA-N 2 1 248.355 2.005 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CC12CCCC2 ZINC000926284493 646611285 /nfs/dbraw/zinc/61/12/85/646611285.db2.gz LYKUTIWGPKTACH-WJLOJVBCSA-N 2 1 234.387 2.249 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccccn1 ZINC000926451170 646642020 /nfs/dbraw/zinc/64/20/20/646642020.db2.gz WRCBVUJKTZVIRO-ZIAGYGMSSA-N 2 1 249.402 2.331 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccccn1 ZINC000926451170 646642022 /nfs/dbraw/zinc/64/20/22/646642022.db2.gz WRCBVUJKTZVIRO-ZIAGYGMSSA-N 2 1 249.402 2.331 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000382398350 711601815 /nfs/dbraw/zinc/60/18/15/711601815.db2.gz OZAKLGRPFRRQMX-CRWXNKLISA-N 2 1 224.392 2.493 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(C)CCCC1 ZINC000396644308 711703060 /nfs/dbraw/zinc/70/30/60/711703060.db2.gz BSSNEAKUSWDSJH-NEPJUHHUSA-N 2 1 210.365 2.297 20 0 BEADMP CC(C)C[C@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000396964930 711704552 /nfs/dbraw/zinc/70/45/52/711704552.db2.gz DCDFVDCNAOAGQH-WDEREUQCSA-N 2 1 234.334 2.479 20 0 BEADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000399143538 711744282 /nfs/dbraw/zinc/74/42/82/711744282.db2.gz CNVXJPQJMMCOLJ-IVZWLZJFSA-N 2 1 220.307 2.089 20 0 BEADMP C[N@@H+](CCC[NH2+]C1CC1)CCC(C)(C)C ZINC000399883920 711763056 /nfs/dbraw/zinc/76/30/56/711763056.db2.gz ICTGJTKPJLHJBN-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1(Cl)CC1 ZINC000700807810 712006678 /nfs/dbraw/zinc/00/66/78/712006678.db2.gz DTQDNPZOADJTOQ-NWDGAFQWSA-N 2 1 244.810 2.468 20 0 BEADMP C[C@@H]1CCCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000703211904 712068608 /nfs/dbraw/zinc/06/86/08/712068608.db2.gz HRWDVYVROHUVLB-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP CSC1CC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000706929081 712161670 /nfs/dbraw/zinc/16/16/70/712161670.db2.gz OTPLVKLXKORXCO-FIYWTHMPSA-N 2 1 240.416 2.097 20 0 BEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCCCC1)C2 ZINC000709824568 712228816 /nfs/dbraw/zinc/22/88/16/712228816.db2.gz FKWDJNUOXWHOMJ-MJBXVCDLSA-N 2 1 222.376 2.378 20 0 BEADMP C[C@H]1CCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000710945046 712267237 /nfs/dbraw/zinc/26/72/37/712267237.db2.gz UWRHUJWSRSWKCQ-JTQLQIEISA-N 2 1 236.384 2.378 20 0 BEADMP FC[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000711454915 712303810 /nfs/dbraw/zinc/30/38/10/712303810.db2.gz OSCAFIMHHZXQCK-ZDUSSCGKSA-N 2 1 228.355 2.058 20 0 BEADMP CC(C)(C)[C@@H]1C[C@H]1[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479477 712334389 /nfs/dbraw/zinc/33/43/89/712334389.db2.gz PPLYVMANKANESH-IJLUTSLNSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@H]1C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)CC[C@H]1[NH3+] ZINC000712690929 712448308 /nfs/dbraw/zinc/44/83/08/712448308.db2.gz FYKJAEPDHAXNHX-AHLTXXRQSA-N 2 1 222.376 2.092 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H]1CCC(C)(C)CO1 ZINC000713583870 712465901 /nfs/dbraw/zinc/46/59/01/712465901.db2.gz BITKUTMHQNPWJR-FRRDWIJNSA-N 2 1 240.391 2.003 20 0 BEADMP C=C/C=C\CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000713759889 712471759 /nfs/dbraw/zinc/47/17/59/712471759.db2.gz UHQQLJCLYXIYPE-TYHIMRJMSA-N 2 1 220.360 2.193 20 0 BEADMP C=C/C=C\CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000713759889 712471760 /nfs/dbraw/zinc/47/17/60/712471760.db2.gz UHQQLJCLYXIYPE-TYHIMRJMSA-N 2 1 220.360 2.193 20 0 BEADMP C[N@@H+](CCC[NH3+])CC[C@H]1CCCC1(F)F ZINC000713979942 712475912 /nfs/dbraw/zinc/47/59/12/712475912.db2.gz BDZNSHMDTCWDLS-SNVBAGLBSA-N 2 1 220.307 2.093 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000714375478 712484559 /nfs/dbraw/zinc/48/45/59/712484559.db2.gz UFDZXQYYZGCQHZ-YNEHKIRRSA-N 2 1 240.391 2.003 20 0 BEADMP C[N@@H+](CCCCCCC[NH3+])Cc1cccnc1 ZINC000036771377 712494675 /nfs/dbraw/zinc/49/46/75/712494675.db2.gz FOLMIIWZECRZIP-UHFFFAOYSA-N 2 1 235.375 2.423 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCCC1CC1 ZINC000716369082 712556933 /nfs/dbraw/zinc/55/69/33/712556933.db2.gz FBJCKZAGVQRQFD-AAEUAGOBSA-N 2 1 210.365 2.297 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]C1(C2CC2)CCC1 ZINC000717885730 712731081 /nfs/dbraw/zinc/73/10/81/712731081.db2.gz WVZKNAHKJJCTNK-UHFFFAOYSA-N 2 1 219.332 2.114 20 0 BEADMP CC(F)(F)CCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000718608774 712773303 /nfs/dbraw/zinc/77/33/03/712773303.db2.gz QYHTUEUYUWFGEW-RYUDHWBXSA-N 2 1 246.345 2.496 20 0 BEADMP CC(F)(F)CCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000718608774 712773305 /nfs/dbraw/zinc/77/33/05/712773305.db2.gz QYHTUEUYUWFGEW-RYUDHWBXSA-N 2 1 246.345 2.496 20 0 BEADMP CC[C@@H]1C[N@@H+](CCCC(C)(F)F)CC[C@H]1[NH3+] ZINC000718709708 712777763 /nfs/dbraw/zinc/77/77/63/712777763.db2.gz UZEIRUQDIMJTKU-GHMZBOCLSA-N 2 1 234.334 2.481 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCCC(C)(F)F)C1 ZINC000718710780 712777930 /nfs/dbraw/zinc/77/79/30/712777930.db2.gz XXMGTYVCLJURJV-QWRGUYRKSA-N 2 1 234.334 2.481 20 0 BEADMP CC(C)C[C@H](C)C[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000720901594 712875569 /nfs/dbraw/zinc/87/55/69/712875569.db2.gz CKLAFZYKKUYKRT-BFHYXJOUSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000720901594 712875570 /nfs/dbraw/zinc/87/55/70/712875570.db2.gz CKLAFZYKKUYKRT-BFHYXJOUSA-N 2 1 224.392 2.495 20 0 BEADMP CSCCC[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000300904948 1166361090 /nfs/dbraw/zinc/36/10/90/1166361090.db2.gz WLORGGYHVGFJGT-LBPRGKRZSA-N 2 1 230.421 2.061 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)C1 ZINC000381543546 710653939 /nfs/dbraw/zinc/65/39/39/710653939.db2.gz JBNKMNOIQKRURG-IGQOVBAYSA-N 2 1 220.360 2.012 20 0 BEADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000384159231 710671884 /nfs/dbraw/zinc/67/18/84/710671884.db2.gz MZQJUPGTUNZOCV-KXUCPTDWSA-N 2 1 220.307 2.089 20 0 BEADMP C[C@@H]1[C@H](C)OCC[N@H+]1CCCCCCC[NH3+] ZINC000380492807 712901456 /nfs/dbraw/zinc/90/14/56/712901456.db2.gz AYTFQNFSUKSUIY-OLZOCXBDSA-N 2 1 228.380 2.005 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCC1CCCC1 ZINC000396717301 710907015 /nfs/dbraw/zinc/90/70/15/710907015.db2.gz RTZZETOJAYJVIT-WCQYABFASA-N 2 1 210.365 2.297 20 0 BEADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000384159225 710990718 /nfs/dbraw/zinc/99/07/18/710990718.db2.gz MZQJUPGTUNZOCV-IVZWLZJFSA-N 2 1 220.307 2.089 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000385182909 711007156 /nfs/dbraw/zinc/00/71/56/711007156.db2.gz PIJJKLZRHSZHHV-KBPBESRZSA-N 2 1 232.371 2.461 20 0 BEADMP CSC(C)(C)CC[NH2+]CC(C)(C)[NH+](C)C ZINC000385212549 711007174 /nfs/dbraw/zinc/00/71/74/711007174.db2.gz JMDOVTYQDDLLRG-UHFFFAOYSA-N 2 1 232.437 2.448 20 0 BEADMP C[C@H]1CCSCC[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000385583961 711014306 /nfs/dbraw/zinc/01/43/06/711014306.db2.gz XYKQVEMFCLBLRE-QWHCGFSZSA-N 2 1 242.432 2.204 20 0 BEADMP C[C@H]1C[N@@H+](CCCC(C)(F)F)CC[C@@H]1[NH3+] ZINC000390067678 711104160 /nfs/dbraw/zinc/10/41/60/711104160.db2.gz DIHZGKAVIFLIAG-UWVGGRQHSA-N 2 1 220.307 2.091 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000390434849 711116017 /nfs/dbraw/zinc/11/60/17/711116017.db2.gz RMOYKUYMULZTEA-MEBFFEOJSA-N 2 1 224.392 2.493 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000390434849 711116021 /nfs/dbraw/zinc/11/60/21/711116021.db2.gz RMOYKUYMULZTEA-MEBFFEOJSA-N 2 1 224.392 2.493 20 0 BEADMP CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H](C)C(C)C ZINC000390503924 711122186 /nfs/dbraw/zinc/12/21/86/711122186.db2.gz WBNIYYCVGDYJTA-XQQFMLRXSA-N 2 1 212.381 2.480 20 0 BEADMP C[C@H]1CC[N@@H+](CCCC2CC2)C[C@H]1C[NH3+] ZINC000394668600 711196226 /nfs/dbraw/zinc/19/62/26/711196226.db2.gz RAZGDHCSDURKLG-WCQYABFASA-N 2 1 210.365 2.093 20 0 BEADMP Cc1cccc(CC[NH2+][C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000396535806 711353743 /nfs/dbraw/zinc/35/37/43/711353743.db2.gz JBOYDGQXQJCTQS-HIFRSBDPSA-N 2 1 232.371 2.268 20 0 BEADMP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000396570677 711354371 /nfs/dbraw/zinc/35/43/71/711354371.db2.gz LESJISNXQSHQNP-WRWGMCAJSA-N 2 1 228.405 2.001 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000396613898 711356408 /nfs/dbraw/zinc/35/64/08/711356408.db2.gz KYPBIISCIZTRPQ-KOLCDFICSA-N 2 1 232.318 2.294 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(C)CCCC1 ZINC000396644315 711358092 /nfs/dbraw/zinc/35/80/92/711358092.db2.gz BSSNEAKUSWDSJH-VXGBXAGGSA-N 2 1 210.365 2.297 20 0 BEADMP CC[C@@]1(C)CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000399452877 711431122 /nfs/dbraw/zinc/43/11/22/711431122.db2.gz IVVJIJRYMFYLDA-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP CC[C@]1(C)CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000399386475 711429033 /nfs/dbraw/zinc/42/90/33/711429033.db2.gz RJOVBKCXQDLUER-CYBMUJFWSA-N 2 1 210.365 2.251 20 0 BEADMP CCCC[NH2+][C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000389845452 711090184 /nfs/dbraw/zinc/09/01/84/711090184.db2.gz NLJGVIOBMFUSKL-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP CCCC[NH2+][C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000389845452 711090189 /nfs/dbraw/zinc/09/01/89/711090189.db2.gz NLJGVIOBMFUSKL-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCC3CC3)C[C@@H]21 ZINC000394594340 711194859 /nfs/dbraw/zinc/19/48/59/711194859.db2.gz GCIREFZQGXBDIT-HZSPNIEDSA-N 2 1 222.376 2.236 20 0 BEADMP CC(C)C(C)(C)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396702587 711366359 /nfs/dbraw/zinc/36/63/59/711366359.db2.gz NKUNETCQWUAKTB-NEPJUHHUSA-N 2 1 212.381 2.399 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1=CCCCC1 ZINC000396708646 711366705 /nfs/dbraw/zinc/36/67/05/711366705.db2.gz OJZIXGQYSRIUDW-WCQYABFASA-N 2 1 208.349 2.217 20 0 BEADMP CC(C)C[N@@H+](C)CCCCCCC[NH3+] ZINC000037108720 711465627 /nfs/dbraw/zinc/46/56/27/711465627.db2.gz ICLSYODWKFXYET-UHFFFAOYSA-N 2 1 200.370 2.483 20 0 BEADMP C[C@H]1CCC[C@@H](C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000720795159 711483941 /nfs/dbraw/zinc/48/39/41/711483941.db2.gz MVRIKWFWDWIGGG-LJISPDSOSA-N 2 1 236.403 2.354 20 0 BEADMP C[C@H]1CCCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000717904824 711492356 /nfs/dbraw/zinc/49/23/56/711492356.db2.gz IMMSKIBAOKVUFT-XQQFMLRXSA-N 2 1 210.365 2.236 20 0 BEADMP C=C/C=C/CC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000713735229 711494272 /nfs/dbraw/zinc/49/42/72/711494272.db2.gz NIMNBNQVYKRJBF-WWKJKZQJSA-N 2 1 208.349 2.035 20 0 BEADMP CO[C@@H]1CC[C@H]1[N@@H+](C)CCCCCCC[NH3+] ZINC000724205273 711569510 /nfs/dbraw/zinc/56/95/10/711569510.db2.gz ADUPICYPVHOILN-CHWSQXEVSA-N 2 1 228.380 2.005 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000052204673 711607602 /nfs/dbraw/zinc/60/76/02/711607602.db2.gz MXNRFBFMXMYBMP-LBPRGKRZSA-N 2 1 218.344 2.030 20 0 BEADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccnnc1 ZINC000926559854 711646633 /nfs/dbraw/zinc/64/66/33/711646633.db2.gz PJHBOMFFVNAMPB-LBPRGKRZSA-N 2 1 248.374 2.002 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000396615732 711702772 /nfs/dbraw/zinc/70/27/72/711702772.db2.gz GEPNKVHGGKTQNG-IUCAKERBSA-N 2 1 224.270 2.059 20 0 BEADMP CC(C)C(C)(C)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396702591 711703346 /nfs/dbraw/zinc/70/33/46/711703346.db2.gz NKUNETCQWUAKTB-NWDGAFQWSA-N 2 1 212.381 2.399 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000925718611 711714574 /nfs/dbraw/zinc/71/45/74/711714574.db2.gz OFWZDRIOQBTQMN-QNSTZXKLSA-N 2 1 222.376 2.153 20 0 BEADMP C(C1CCCC1)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000257644388 711721125 /nfs/dbraw/zinc/72/11/25/711721125.db2.gz BSCDKGGUBMQOAC-AWEZNQCLSA-N 2 1 222.376 2.395 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1CC[NH3+] ZINC000723886284 711731106 /nfs/dbraw/zinc/73/11/06/711731106.db2.gz JLSXPPZIWDZSLZ-TZMCWYRMSA-N 2 1 224.392 2.483 20 0 BEADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)oc1C ZINC000925783082 711749483 /nfs/dbraw/zinc/74/94/83/711749483.db2.gz BUWYGTXCOXJKTM-WZRBSPASSA-N 2 1 236.359 2.403 20 0 BEADMP CSC[C@H]1CCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000700271376 711988826 /nfs/dbraw/zinc/98/88/26/711988826.db2.gz AVROYTOTEGKLJQ-QWHCGFSZSA-N 2 1 242.432 2.204 20 0 BEADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccoc2)C1 ZINC000700806232 712006777 /nfs/dbraw/zinc/00/67/77/712006777.db2.gz YKGGZDVMYLXIBR-GFCCVEGCSA-N 2 1 222.332 2.101 20 0 BEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccoc2)C1 ZINC000700806232 712006778 /nfs/dbraw/zinc/00/67/78/712006778.db2.gz YKGGZDVMYLXIBR-GFCCVEGCSA-N 2 1 222.332 2.101 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC2(C)C)CC[N@H+]1C ZINC000701980780 712034740 /nfs/dbraw/zinc/03/47/40/712034740.db2.gz JZWZZYPDMXUBJA-YRGRVCCFSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC000702008784 712036479 /nfs/dbraw/zinc/03/64/79/712036479.db2.gz VXIFKFRMZGZRHN-ZYHUDNBSSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC000702008772 712036571 /nfs/dbraw/zinc/03/65/71/712036571.db2.gz VXIFKFRMZGZRHN-CMPLNLGQSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@H](c1ccccc1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703550691 712078902 /nfs/dbraw/zinc/07/89/02/712078902.db2.gz VKPANEBDKAUNQE-VHDGCEQUSA-N 2 1 230.355 2.289 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703603202 712081887 /nfs/dbraw/zinc/08/18/87/712081887.db2.gz QXZQGFANMWHGIB-APIJFGDWSA-N 2 1 236.403 2.354 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@H]1CC=CCC1 ZINC000706881135 712158351 /nfs/dbraw/zinc/15/83/51/712158351.db2.gz NMENCDPCSPJBDH-MELADBBJSA-N 2 1 222.376 2.463 20 0 BEADMP [NH3+]CCCCCCC[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000707211404 712167028 /nfs/dbraw/zinc/16/70/28/712167028.db2.gz BBQPYMWXJUBVEV-CQSZACIVSA-N 2 1 240.391 2.008 20 0 BEADMP C[NH2+]CC[N@H+](C)C[C@@H](C)CC(C)(C)C ZINC000708272032 712184590 /nfs/dbraw/zinc/18/45/90/712184590.db2.gz AABCKWBYAYYSNH-NSHDSACASA-N 2 1 200.370 2.210 20 0 BEADMP C[NH2+]CC[N@@H+](C)C[C@@H](C)CC(C)(C)C ZINC000708272032 712184592 /nfs/dbraw/zinc/18/45/92/712184592.db2.gz AABCKWBYAYYSNH-NSHDSACASA-N 2 1 200.370 2.210 20 0 BEADMP C[N@@H+](C[C@@H]1CC(C)(C)CO1)C1CCC([NH3+])CC1 ZINC000708330005 712187465 /nfs/dbraw/zinc/18/74/65/712187465.db2.gz FSQMDCFETCTSFH-BPCQOVAHSA-N 2 1 240.391 2.003 20 0 BEADMP CCCCC[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709796934 712227249 /nfs/dbraw/zinc/22/72/49/712227249.db2.gz ZVYWWTYZEJTZFG-NXEZZACHSA-N 2 1 238.297 2.246 20 0 BEADMP C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)C1CCC1 ZINC000709893427 712231164 /nfs/dbraw/zinc/23/11/64/712231164.db2.gz SNAKBFLABMTVCG-AWEZNQCLSA-N 2 1 222.376 2.252 20 0 BEADMP FC[C@@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000711440736 712300810 /nfs/dbraw/zinc/30/08/10/712300810.db2.gz FCTQBAYWJPTYNG-STQMWFEESA-N 2 1 228.355 2.058 20 0 BEADMP FC[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000711442183 712301030 /nfs/dbraw/zinc/30/10/30/712301030.db2.gz IORZAUXUQBILBP-FUDCBSFHSA-N 2 1 240.366 2.199 20 0 BEADMP FC[C@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000711512775 712308201 /nfs/dbraw/zinc/30/82/01/712308201.db2.gz JRBWJBSLZDFKDB-GFCCVEGCSA-N 2 1 248.345 2.124 20 0 BEADMP C1=C(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCCC1 ZINC000379586840 712389286 /nfs/dbraw/zinc/38/92/86/712389286.db2.gz KTOXJJYWGJIIDK-LXFSFDBISA-N 2 1 232.371 2.073 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H]1C ZINC000389844910 712397957 /nfs/dbraw/zinc/39/79/57/712397957.db2.gz MNTPQYDAEIMLRD-JHJVBQTASA-N 2 1 212.381 2.495 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H]1C ZINC000389844910 712397958 /nfs/dbraw/zinc/39/79/58/712397958.db2.gz MNTPQYDAEIMLRD-JHJVBQTASA-N 2 1 212.381 2.495 20 0 BEADMP Cc1cc(NC[C@@H]2CC[N@@H+]2C)c2ccccc2[nH+]1 ZINC000712525125 712440895 /nfs/dbraw/zinc/44/08/95/712440895.db2.gz BKDBYXIFBPXPKK-LBPRGKRZSA-N 2 1 241.338 2.081 20 0 BEADMP CCCCC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713167453 712453492 /nfs/dbraw/zinc/45/34/92/712453492.db2.gz IPVJKVABFPIKAU-UHFFFAOYSA-N 2 1 210.365 2.395 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CCC(C)(C)CO1 ZINC000713583871 712466412 /nfs/dbraw/zinc/46/64/12/712466412.db2.gz BITKUTMHQNPWJR-JHJVBQTASA-N 2 1 240.391 2.003 20 0 BEADMP C=C/C=C\CC[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000713737163 712470410 /nfs/dbraw/zinc/47/04/10/712470410.db2.gz ZSNTWEOBNXZUKP-DSYXLKISSA-N 2 1 208.349 2.050 20 0 BEADMP C=C/C=C\CC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000713729167 712470510 /nfs/dbraw/zinc/47/05/10/712470510.db2.gz AVBPUGFJUPAANG-SCOBNMCVSA-N 2 1 208.349 2.180 20 0 BEADMP C=C/C=C/CC[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000713757104 712472040 /nfs/dbraw/zinc/47/20/40/712472040.db2.gz FPZHTRUUYRGFLX-SEUFLZDSSA-N 2 1 248.292 2.188 20 0 BEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCCC(C)(F)F ZINC000713968391 712475389 /nfs/dbraw/zinc/47/53/89/712475389.db2.gz PUBMPXPAZYDLHN-SNVBAGLBSA-N 2 1 222.323 2.385 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC[C@@H]3C[C@H]3C3CC3)C[C@@H]21 ZINC000714856068 712501731 /nfs/dbraw/zinc/50/17/31/712501731.db2.gz ARNQLCQEWQEYMJ-RBGFHDKUSA-N 2 1 248.414 2.482 20 0 BEADMP C(CC1CC1)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000714998310 712503428 /nfs/dbraw/zinc/50/34/28/712503428.db2.gz FYCLRGAEUKYYSV-UONOGXRCSA-N 2 1 222.376 2.251 20 0 BEADMP C(CC1CC1)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000714998310 712503429 /nfs/dbraw/zinc/50/34/29/712503429.db2.gz FYCLRGAEUKYYSV-UONOGXRCSA-N 2 1 222.376 2.251 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccn[nH]1 ZINC000036900038 712513497 /nfs/dbraw/zinc/51/34/97/712513497.db2.gz AEBLOLAIKFKZGV-LBPRGKRZSA-N 2 1 238.379 2.010 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCCC1CC1 ZINC000716369085 712557039 /nfs/dbraw/zinc/55/70/39/712557039.db2.gz FBJCKZAGVQRQFD-YPMHNXCESA-N 2 1 210.365 2.297 20 0 BEADMP C[NH+]1CCC([NH2+]CCCCC2CC2)CC1 ZINC000716406934 712558763 /nfs/dbraw/zinc/55/87/63/712558763.db2.gz RNQPKGKLHMDKEW-UHFFFAOYSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000716531539 712567324 /nfs/dbraw/zinc/56/73/24/712567324.db2.gz NNEWQJMOCXHZIH-QQOHENMQSA-N 2 1 222.376 2.009 20 0 BEADMP C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000716622809 712568191 /nfs/dbraw/zinc/56/81/91/712568191.db2.gz JMZLDYSGVHZZMN-VPVJGASFSA-N 2 1 248.414 2.493 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)CC[N@H+]1C ZINC000717097410 712630784 /nfs/dbraw/zinc/63/07/84/712630784.db2.gz OZWPQHSDTQBRGH-FQKPHLNHSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]([N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1)C1(C)CC1 ZINC000717931262 712734524 /nfs/dbraw/zinc/73/45/24/712734524.db2.gz ZURNTXRXZZPBGU-UTUOFQBUSA-N 2 1 210.365 2.234 20 0 BEADMP CC[C@H]1C[C@@H](C)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717969666 712735726 /nfs/dbraw/zinc/73/57/26/712735726.db2.gz DKTBHRPLVKANDO-NDBYEHHHSA-N 2 1 210.365 2.234 20 0 BEADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717969664 712735759 /nfs/dbraw/zinc/73/57/59/712735759.db2.gz DKTBHRPLVKANDO-FVCCEPFGSA-N 2 1 210.365 2.234 20 0 BEADMP CC(C)O[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000717963227 712735843 /nfs/dbraw/zinc/73/58/43/712735843.db2.gz SYFNQVDXAMDRSJ-RDBSUJKOSA-N 2 1 240.391 2.003 20 0 BEADMP CC(F)(F)CCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000718608772 712773142 /nfs/dbraw/zinc/77/31/42/712773142.db2.gz QYHTUEUYUWFGEW-NEPJUHHUSA-N 2 1 246.345 2.496 20 0 BEADMP CC(F)(F)CCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000718608772 712773143 /nfs/dbraw/zinc/77/31/43/712773143.db2.gz QYHTUEUYUWFGEW-NEPJUHHUSA-N 2 1 246.345 2.496 20 0 BEADMP CC(F)(F)CCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000718610227 712773329 /nfs/dbraw/zinc/77/33/29/712773329.db2.gz HYLFLSYCFDPBJK-ZDUSSCGKSA-N 2 1 246.345 2.497 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCC(C)(F)F)C1 ZINC000718570213 712774704 /nfs/dbraw/zinc/77/47/04/712774704.db2.gz JCHYXXJKYSYPRX-LLVKDONJSA-N 2 1 234.334 2.353 20 0 BEADMP C[N@@H+](CCCC(C)(F)F)CC(C)(C)C[NH3+] ZINC000718569755 712774873 /nfs/dbraw/zinc/77/48/73/712774873.db2.gz HJUPIIJEVQMKMG-UHFFFAOYSA-N 2 1 222.323 2.339 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCC(C)(F)F)C1 ZINC000718569762 712775056 /nfs/dbraw/zinc/77/50/56/712775056.db2.gz HMUWOMKMJAXMFJ-ZJUUUORDSA-N 2 1 220.307 2.091 20 0 BEADMP CO[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000718784915 712783050 /nfs/dbraw/zinc/78/30/50/712783050.db2.gz AUBDRELWYYCRNJ-JSGCOSHPSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H]1[C@H](Nc2cc[nH+]c3ccccc23)CC[N@H+]1C ZINC000719576715 712811614 /nfs/dbraw/zinc/81/16/14/712811614.db2.gz SEALIFJDIQULKP-DGCLKSJQSA-N 2 1 241.338 2.161 20 0 BEADMP C[C@H]1CCCC[C@H]1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720658033 712861023 /nfs/dbraw/zinc/86/10/23/712861023.db2.gz QXZQGFANMWHGIB-ZQDZILKHSA-N 2 1 236.403 2.354 20 0 BEADMP CC(C)C[C@H](C)C[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000720901610 712875921 /nfs/dbraw/zinc/87/59/21/712875921.db2.gz CKLAFZYKKUYKRT-MJBXVCDLSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000720901610 712875922 /nfs/dbraw/zinc/87/59/22/712875922.db2.gz CKLAFZYKKUYKRT-MJBXVCDLSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208608377 957094574 /nfs/dbraw/zinc/09/45/74/957094574.db2.gz IDQJGGCMPZXSIJ-UONOGXRCSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@H]1CCC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208608377 957094587 /nfs/dbraw/zinc/09/45/87/957094587.db2.gz IDQJGGCMPZXSIJ-UONOGXRCSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208608377 957094602 /nfs/dbraw/zinc/09/46/02/957094602.db2.gz IDQJGGCMPZXSIJ-UONOGXRCSA-N 2 1 224.392 2.450 20 0 BEADMP CCC(CC)C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000308846793 959522919 /nfs/dbraw/zinc/52/29/19/959522919.db2.gz LPOARYKWNJFOKF-CYBMUJFWSA-N 2 1 212.381 2.483 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)c(C)c1 ZINC000405856477 959527595 /nfs/dbraw/zinc/52/75/95/959527595.db2.gz OGMMPARDSKTTPB-CQSZACIVSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@](C)([NH3+])C2)c(C)c1 ZINC000405856477 959527608 /nfs/dbraw/zinc/52/76/08/959527608.db2.gz OGMMPARDSKTTPB-CQSZACIVSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1[nH+]ccn1CCNc1cc[nH+]c(C)c1 ZINC000309229077 959799890 /nfs/dbraw/zinc/79/98/90/959799890.db2.gz SLTLZAARVQENHM-UHFFFAOYSA-N 2 1 216.288 2.007 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000093088597 963293635 /nfs/dbraw/zinc/29/36/35/963293635.db2.gz OYJNFIGVDDRGHY-OCCSQVGLSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+](C)C1CCC([N@H+]2C[C@@H](F)C[C@H]2CF)CC1 ZINC001168315507 964427614 /nfs/dbraw/zinc/42/76/14/964427614.db2.gz XBOSQJDIEJWYNF-WTIISPKJSA-N 2 1 246.345 2.241 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC000041027834 1165761607 /nfs/dbraw/zinc/76/16/07/1165761607.db2.gz GZJFYNHSUORSOI-GXTWGEPZSA-N 2 1 216.328 2.097 20 0 BEADMP [NH3+][C@H]1CCC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC000041027834 1165761615 /nfs/dbraw/zinc/76/16/15/1165761615.db2.gz GZJFYNHSUORSOI-GXTWGEPZSA-N 2 1 216.328 2.097 20 0 BEADMP C[C@H](C[N@H+]1CCC[C@@](C)([NH3+])CC1)C(F)(F)F ZINC001205255005 967447790 /nfs/dbraw/zinc/44/77/90/967447790.db2.gz DORUXEYVZNXBLV-NXEZZACHSA-N 2 1 238.297 2.388 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205981469 967921524 /nfs/dbraw/zinc/92/15/24/967921524.db2.gz DHSOUPLQCVPADU-AVGNSLFASA-N 2 1 212.381 2.339 20 0 BEADMP CCCC(CCC)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000070798674 1165952360 /nfs/dbraw/zinc/95/23/60/1165952360.db2.gz KUGBGCIBSVTUMC-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1 ZINC000052424631 1165979087 /nfs/dbraw/zinc/97/90/87/1165979087.db2.gz YKIJJUSGTAMOMV-CYBMUJFWSA-N 2 1 220.360 2.425 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC000075144793 1165997633 /nfs/dbraw/zinc/99/76/33/1165997633.db2.gz MVRXJEUNAKMTQN-CQSZACIVSA-N 2 1 218.344 2.308 20 0 BEADMP Cc1cccc([C@@H](C)[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000723470912 1166014645 /nfs/dbraw/zinc/01/46/45/1166014645.db2.gz HTVYZAUQVDUUAS-YRGRVCCFSA-N 2 1 218.344 2.335 20 0 BEADMP Cc1cccc([C@@H](C)[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000723470912 1166014661 /nfs/dbraw/zinc/01/46/61/1166014661.db2.gz HTVYZAUQVDUUAS-YRGRVCCFSA-N 2 1 218.344 2.335 20 0 BEADMP CC1CC([NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC000389566933 1166031837 /nfs/dbraw/zinc/03/18/37/1166031837.db2.gz ABYHRDJLDTZVOC-TUUUFIMRSA-N 2 1 210.365 2.247 20 0 BEADMP CC1CC([NH2+][C@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC000389566932 1166032274 /nfs/dbraw/zinc/03/22/74/1166032274.db2.gz ABYHRDJLDTZVOC-IFWUJCSASA-N 2 1 210.365 2.247 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](CCC3CC3)C[C@H]2CC1 ZINC001276513100 968680044 /nfs/dbraw/zinc/68/00/44/968680044.db2.gz IIBMMGBZVOPSPY-OKILXGFUSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](CCC3CC3)C[C@H]2CC1 ZINC001276513100 968680048 /nfs/dbraw/zinc/68/00/48/968680048.db2.gz IIBMMGBZVOPSPY-OKILXGFUSA-N 2 1 222.376 2.060 20 0 BEADMP CO[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)[C@@H](C)C1 ZINC001207284146 968718451 /nfs/dbraw/zinc/71/84/51/968718451.db2.gz KIERBJURAMPPAC-QWHCGFSZSA-N 2 1 242.407 2.074 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CC[C@](C)(CF)C2)CC1 ZINC001207391697 968745700 /nfs/dbraw/zinc/74/57/00/968745700.db2.gz MHCNLPXOOMEHIM-CYBMUJFWSA-N 2 1 228.355 2.010 20 0 BEADMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)C2(CC2)C1 ZINC001207399818 968750908 /nfs/dbraw/zinc/75/09/08/968750908.db2.gz UWPNQMWQEZESLD-GFCCVEGCSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC(CC[N@H+]2CCCC23CC3)CC1 ZINC001207480158 968799143 /nfs/dbraw/zinc/79/91/43/968799143.db2.gz VGMKOJQLKNBBBV-UHFFFAOYSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC(CC[N@H+]2CC[C@@](C)(CF)C2)CC1 ZINC001207480161 968796194 /nfs/dbraw/zinc/79/61/94/968796194.db2.gz VKGKYQAULQCHEB-AWEZNQCLSA-N 2 1 242.382 2.400 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CCCc2ccccc2)C[NH2+]1 ZINC000399126264 1166149204 /nfs/dbraw/zinc/14/92/04/1166149204.db2.gz KNPNXBTVSUGOKV-HIFRSBDPSA-N 2 1 232.371 2.349 20 0 BEADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H]3C[C@H]32)CC1 ZINC001208110479 969007572 /nfs/dbraw/zinc/00/75/72/969007572.db2.gz DJWGWUVPHLZBFF-QWHCGFSZSA-N 2 1 222.376 2.203 20 0 BEADMP Cc1cccc(C[N@@H+](C)CCC2C[NH2+]C2)c1 ZINC000129546788 1166201656 /nfs/dbraw/zinc/20/16/56/1166201656.db2.gz HDXGOGZIWBGDDX-UHFFFAOYSA-N 2 1 218.344 2.036 20 0 BEADMP CCC[N@@H+](C[C@H](O)C[NH+](CC)CC)[C@H](C)CC ZINC001253175087 969099389 /nfs/dbraw/zinc/09/93/89/969099389.db2.gz FERCHLBUGUVPAO-ZIAGYGMSSA-N 2 1 244.423 2.200 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CCC(C)(C)C2)CC1 ZINC001208599611 969150288 /nfs/dbraw/zinc/15/02/88/969150288.db2.gz IRWPQSYJYSNKHU-UHFFFAOYSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC1CC[NH+](CC)CC1 ZINC001208596540 969152924 /nfs/dbraw/zinc/15/29/24/969152924.db2.gz RTCGKZKNKWHEBU-GFCCVEGCSA-N 2 1 212.381 2.449 20 0 BEADMP CCC[NH+](CCC)C[C@H]1CCC[N@H+](C)C1 ZINC001208603300 969153708 /nfs/dbraw/zinc/15/37/08/969153708.db2.gz ANNCERQUMUJMHV-ZDUSSCGKSA-N 2 1 212.381 2.450 20 0 BEADMP CCC[NH+](CCC)C[C@H]1CCC[N@@H+](C)C1 ZINC001208603300 969153717 /nfs/dbraw/zinc/15/37/17/969153717.db2.gz ANNCERQUMUJMHV-ZDUSSCGKSA-N 2 1 212.381 2.450 20 0 BEADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208604403 969157106 /nfs/dbraw/zinc/15/71/06/969157106.db2.gz OIEZOHZUNMGNJU-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C)C1 ZINC000227667472 1166249968 /nfs/dbraw/zinc/24/99/68/1166249968.db2.gz ZYNHTDVDEFQBMC-CABCVRRESA-N 2 1 232.371 2.301 20 0 BEADMP CC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H]([NH2+]C)C1 ZINC000227667472 1166249974 /nfs/dbraw/zinc/24/99/74/1166249974.db2.gz ZYNHTDVDEFQBMC-CABCVRRESA-N 2 1 232.371 2.301 20 0 BEADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208604403 969157095 /nfs/dbraw/zinc/15/70/95/969157095.db2.gz OIEZOHZUNMGNJU-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208604403 969157101 /nfs/dbraw/zinc/15/71/01/969157101.db2.gz OIEZOHZUNMGNJU-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC001208604403 969157103 /nfs/dbraw/zinc/15/71/03/969157103.db2.gz OIEZOHZUNMGNJU-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP CSC1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208608007 969165334 /nfs/dbraw/zinc/16/53/34/969165334.db2.gz FAZZEKWGUOECHP-LBPRGKRZSA-N 2 1 242.432 2.156 20 0 BEADMP C[C@H]1C[C@@H](CF)[N@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208609194 969164532 /nfs/dbraw/zinc/16/45/32/969164532.db2.gz YWZHLBHPEHURGK-AVGNSLFASA-N 2 1 228.355 2.008 20 0 BEADMP C[C@H]1C[C@@H](CF)[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208609194 969164541 /nfs/dbraw/zinc/16/45/41/969164541.db2.gz YWZHLBHPEHURGK-AVGNSLFASA-N 2 1 228.355 2.008 20 0 BEADMP C[C@H]1C[C@@H](CF)[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208609194 969164547 /nfs/dbraw/zinc/16/45/47/969164547.db2.gz YWZHLBHPEHURGK-AVGNSLFASA-N 2 1 228.355 2.008 20 0 BEADMP C[C@H]1C[C@@H](CF)[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208609194 969164552 /nfs/dbraw/zinc/16/45/52/969164552.db2.gz YWZHLBHPEHURGK-AVGNSLFASA-N 2 1 228.355 2.008 20 0 BEADMP CCCC[C@@H](CC)C[N@@H+]1CC[C@@H]([NH2+]C)C1 ZINC000227670668 1166257905 /nfs/dbraw/zinc/25/79/05/1166257905.db2.gz WCEHGJWUVNXPFS-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP CCCC[C@@H](CC)C[N@H+]1CC[C@@H]([NH2+]C)C1 ZINC000227670668 1166257909 /nfs/dbraw/zinc/25/79/09/1166257909.db2.gz WCEHGJWUVNXPFS-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H](F)CC2)C1 ZINC001208608848 969166080 /nfs/dbraw/zinc/16/60/80/969166080.db2.gz XCVFBYCEANEECL-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H](F)CC2)C1 ZINC001208608848 969166082 /nfs/dbraw/zinc/16/60/82/969166082.db2.gz XCVFBYCEANEECL-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@H](F)CC2)C1 ZINC001208608848 969166089 /nfs/dbraw/zinc/16/60/89/969166089.db2.gz XCVFBYCEANEECL-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP CC[C@@H](C)C[C@@H](CC)[N@@H+](C)CCC[NH3+] ZINC000227744755 1166308815 /nfs/dbraw/zinc/30/88/15/1166308815.db2.gz NYICZAMSKZTNLI-VXGBXAGGSA-N 2 1 200.370 2.482 20 0 BEADMP CC(C)(C)CC[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000299893854 1166326360 /nfs/dbraw/zinc/32/63/60/1166326360.db2.gz PQWKLFZYNVQFFC-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP C1CCC([N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC000250799742 1166430170 /nfs/dbraw/zinc/43/01/70/1166430170.db2.gz BFQMACKYCOYOOC-JSGCOSHPSA-N 2 1 222.376 2.393 20 0 BEADMP C1CCC([N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC000250799742 1166430172 /nfs/dbraw/zinc/43/01/72/1166430172.db2.gz BFQMACKYCOYOOC-JSGCOSHPSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@]1(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)CC[NH2+]C1 ZINC000250793550 1166431109 /nfs/dbraw/zinc/43/11/09/1166431109.db2.gz KRKXMBZXTGFWRU-KFWWJZLASA-N 2 1 236.403 2.498 20 0 BEADMP CC(C)C[NH2+][C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000252948566 1166446256 /nfs/dbraw/zinc/44/62/56/1166446256.db2.gz BEKJISPMAZYZAZ-STQMWFEESA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)C[NH2+][C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000252948566 1166446261 /nfs/dbraw/zinc/44/62/61/1166446261.db2.gz BEKJISPMAZYZAZ-STQMWFEESA-N 2 1 212.381 2.352 20 0 BEADMP C[NH+]1CCC[C@@H]([N@@H+]2CCCC[C@H](F)C2)CC1 ZINC001254516448 969686594 /nfs/dbraw/zinc/68/65/94/969686594.db2.gz MLMMHUPJBRLPSO-QWHCGFSZSA-N 2 1 228.355 2.295 20 0 BEADMP C[NH+]1CCC[C@@H]([N@H+]2CCCC[C@H](F)C2)CC1 ZINC001254516448 969686604 /nfs/dbraw/zinc/68/66/04/969686604.db2.gz MLMMHUPJBRLPSO-QWHCGFSZSA-N 2 1 228.355 2.295 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2CCC(F)(F)CC2)CC1 ZINC001254515657 969692643 /nfs/dbraw/zinc/69/26/43/969692643.db2.gz AKDJNOLFZBGUTR-NSHDSACASA-N 2 1 232.318 2.202 20 0 BEADMP CC[C@@H]1CCC[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254522075 969710898 /nfs/dbraw/zinc/71/08/98/969710898.db2.gz BMSUZWITJLCNIM-OLZOCXBDSA-N 2 1 210.365 2.345 20 0 BEADMP CC[C@@H]1CCC[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254522075 969710903 /nfs/dbraw/zinc/71/09/03/969710903.db2.gz BMSUZWITJLCNIM-OLZOCXBDSA-N 2 1 210.365 2.345 20 0 BEADMP CC[C@@H]1CCC[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254522075 969710912 /nfs/dbraw/zinc/71/09/12/969710912.db2.gz BMSUZWITJLCNIM-OLZOCXBDSA-N 2 1 210.365 2.345 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2CCC(C(F)F)CC2)CC1 ZINC001254526217 969721560 /nfs/dbraw/zinc/72/15/60/969721560.db2.gz PVMJDPQMFXFBSD-LBPRGKRZSA-N 2 1 246.345 2.448 20 0 BEADMP CCCC[C@H](C)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000394604446 1166605608 /nfs/dbraw/zinc/60/56/08/1166605608.db2.gz FMWRNVIIJOXCJQ-STQMWFEESA-N 2 1 212.381 2.497 20 0 BEADMP CCCC[C@@H](C)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001255333499 970115931 /nfs/dbraw/zinc/11/59/31/970115931.db2.gz USEJMUIWSRQIMV-MGPQQGTHSA-N 2 1 224.392 2.449 20 0 BEADMP COC[C@@H](C)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255563509 970346902 /nfs/dbraw/zinc/34/69/02/970346902.db2.gz VMTTXOPSPJSKKY-YRGRVCCFSA-N 2 1 240.391 2.146 20 0 BEADMP C[N@@H+](CCC1CC[NH2+]CC1)C1CC(C)(C)C1 ZINC000395503490 1166722706 /nfs/dbraw/zinc/72/27/06/1166722706.db2.gz RMKNGCVLDLLFMT-UHFFFAOYSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2CC23CCCCC3)CC1 ZINC000395626997 1166721737 /nfs/dbraw/zinc/72/17/37/1166721737.db2.gz DHQCKMXMIAXECS-CYBMUJFWSA-N 2 1 222.376 2.393 20 0 BEADMP CC[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000252968677 1166774177 /nfs/dbraw/zinc/77/41/77/1166774177.db2.gz YSHLPAJQSFDQCS-XQQFMLRXSA-N 2 1 210.365 2.249 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)CC1CC1 ZINC001255954871 970589336 /nfs/dbraw/zinc/58/93/36/970589336.db2.gz JQAAFGCBOVZXRG-LBPRGKRZSA-N 2 1 212.381 2.449 20 0 BEADMP CCC[N@@H+](C)[C@H](C)CC[NH+](CC)CC ZINC001255955460 970591442 /nfs/dbraw/zinc/59/14/42/970591442.db2.gz UMHBMVILJJPYNZ-GFCCVEGCSA-N 2 1 200.370 2.449 20 0 BEADMP C[C@H]1CC[C@@H]([N@H+]2CCC3(CCCC3)C2)C[NH2+]1 ZINC000304428693 1166917133 /nfs/dbraw/zinc/91/71/33/1166917133.db2.gz SDZDPUKCZQAGQD-QWHCGFSZSA-N 2 1 222.376 2.393 20 0 BEADMP Clc1ccc(CC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000041281223 1167020940 /nfs/dbraw/zinc/02/09/40/1167020940.db2.gz KGYGMKXIGMQPPS-UHFFFAOYSA-N 2 1 238.762 2.178 20 0 BEADMP Clc1ccc(CC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000041281223 1167020944 /nfs/dbraw/zinc/02/09/44/1167020944.db2.gz KGYGMKXIGMQPPS-UHFFFAOYSA-N 2 1 238.762 2.178 20 0 BEADMP CCSC[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001173311906 975226105 /nfs/dbraw/zinc/22/61/05/975226105.db2.gz QZDQVNBTCOLVNS-CHWSQXEVSA-N 2 1 242.432 2.156 20 0 BEADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C(C)(C)C ZINC000382071032 1167086277 /nfs/dbraw/zinc/08/62/77/1167086277.db2.gz CEZWWVWDRSNNSK-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C(C)(C)C ZINC000382071030 1167088033 /nfs/dbraw/zinc/08/80/33/1167088033.db2.gz CEZWWVWDRSNNSK-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP C1CC1[NH+]1CCC([NH2+][C@@H]2CC23CCC3)CC1 ZINC000721205759 975293920 /nfs/dbraw/zinc/29/39/20/975293920.db2.gz FMVJHSNTQZBXSS-CYBMUJFWSA-N 2 1 220.360 2.145 20 0 BEADMP CC(C)CC[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC000309072652 1167247111 /nfs/dbraw/zinc/24/71/11/1167247111.db2.gz GHSKHUYQEIPJOT-STQMWFEESA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)CC[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000309072650 1167247849 /nfs/dbraw/zinc/24/78/49/1167247849.db2.gz GHSKHUYQEIPJOT-OLZOCXBDSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000309294275 1167281628 /nfs/dbraw/zinc/28/16/28/1167281628.db2.gz RBQLLJCIJUKIRH-RWMBFGLXSA-N 2 1 212.381 2.480 20 0 BEADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@@H]([NH3+])C1 ZINC000309294275 1167281635 /nfs/dbraw/zinc/28/16/35/1167281635.db2.gz RBQLLJCIJUKIRH-RWMBFGLXSA-N 2 1 212.381 2.480 20 0 BEADMP CC[C@H](C)C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000251532991 1167336903 /nfs/dbraw/zinc/33/69/03/1167336903.db2.gz AVFZLSJOPKRUME-RWMBFGLXSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1cccc(CC[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC000215829012 1167481202 /nfs/dbraw/zinc/48/12/02/1167481202.db2.gz BEQMOPCUNZJNDH-HNNXBMFYSA-N 2 1 232.371 2.351 20 0 BEADMP COCC[C@H]([NH3+])C[N@H+]1CCC2(C1)CCCCC2 ZINC000310212411 1167494249 /nfs/dbraw/zinc/49/42/49/1167494249.db2.gz HDFNHXIJYATZNI-ZDUSSCGKSA-N 2 1 240.391 2.006 20 0 BEADMP C[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000252088983 1167588374 /nfs/dbraw/zinc/58/83/74/1167588374.db2.gz DHFGMHRDZVJKGO-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1csc(C[N@@H+]2[C@@H](C)CC[C@H]2CN)c1 ZINC001205064894 1167666999 /nfs/dbraw/zinc/66/69/99/1167666999.db2.gz ZWQSJGKGMXMJKQ-QWRGUYRKSA-N 2 1 224.373 2.368 20 0 BEADMP Cc1csc(C[N@H+]2[C@@H](C)CC[C@H]2CN)c1 ZINC001205064894 1167667003 /nfs/dbraw/zinc/66/70/03/1167667003.db2.gz ZWQSJGKGMXMJKQ-QWRGUYRKSA-N 2 1 224.373 2.368 20 0 BEADMP Cc1csc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205064894 1167667009 /nfs/dbraw/zinc/66/70/09/1167667009.db2.gz ZWQSJGKGMXMJKQ-QWRGUYRKSA-N 2 1 224.373 2.368 20 0 BEADMP Cc1csc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205064894 1167667015 /nfs/dbraw/zinc/66/70/15/1167667015.db2.gz ZWQSJGKGMXMJKQ-QWRGUYRKSA-N 2 1 224.373 2.368 20 0 BEADMP C[C@H]1CC([NH2+]C[C@H]2CC[N@@H+](C)C2)C[C@H](C)C1 ZINC000252216061 1167774916 /nfs/dbraw/zinc/77/49/16/1167774916.db2.gz ZFMNGLIWODHPBE-JHJVBQTASA-N 2 1 224.392 2.352 20 0 BEADMP CC/C=C\CCC[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235209197 978996486 /nfs/dbraw/zinc/99/64/86/978996486.db2.gz IVGQBVJLOIAGPT-TYHIMRJMSA-N 2 1 222.376 2.417 20 0 BEADMP CC/C=C\CCC[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235209197 978996491 /nfs/dbraw/zinc/99/64/91/978996491.db2.gz IVGQBVJLOIAGPT-TYHIMRJMSA-N 2 1 222.376 2.417 20 0 BEADMP CC/C=C\CCCCC[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001235284074 979016839 /nfs/dbraw/zinc/01/68/39/979016839.db2.gz TVDSNXMOPJLDKU-MAUVLDTNSA-N 2 1 222.376 2.402 20 0 BEADMP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCC(C)=C[C@H]2C)C1 ZINC001235829286 979152448 /nfs/dbraw/zinc/15/24/48/979152448.db2.gz POXMSQAFALKAFC-MGPQQGTHSA-N 2 1 222.376 2.273 20 0 BEADMP COc1ccc([C@H](C)[N@@H+](C)CCCC[NH3+])cc1 ZINC001235950154 979222033 /nfs/dbraw/zinc/22/20/33/979222033.db2.gz SBBKTWSUHGUXNI-LBPRGKRZSA-N 2 1 236.359 2.427 20 0 BEADMP COc1ccc([C@@H](C)[N@@H+](C)CCCC[NH3+])cc1 ZINC001235950153 979222354 /nfs/dbraw/zinc/22/23/54/979222354.db2.gz SBBKTWSUHGUXNI-GFCCVEGCSA-N 2 1 236.359 2.427 20 0 BEADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235960500 979229022 /nfs/dbraw/zinc/22/90/22/979229022.db2.gz XVEDRQLTLXDARB-CLLJXQQHSA-N 2 1 210.365 2.092 20 0 BEADMP CCC(CC)[N@H+](CC)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235963466 979231567 /nfs/dbraw/zinc/23/15/67/979231567.db2.gz UOKHKFUEKOXMGU-LBPRGKRZSA-N 2 1 228.380 2.221 20 0 BEADMP CCC(CC)[N@@H+](CC)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235963466 979231581 /nfs/dbraw/zinc/23/15/81/979231581.db2.gz UOKHKFUEKOXMGU-LBPRGKRZSA-N 2 1 228.380 2.221 20 0 BEADMP [NH3+]C1CC[NH+]([C@@H]2CCc3c2cccc3F)CC1 ZINC000149335837 1168316826 /nfs/dbraw/zinc/31/68/26/1168316826.db2.gz QNYUQEVRDGBCLZ-CQSZACIVSA-N 2 1 234.318 2.236 20 0 BEADMP COC(C)(C)CC[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205254830 979730723 /nfs/dbraw/zinc/73/07/23/979730723.db2.gz CATLEJWHRILMCB-CYBMUJFWSA-N 2 1 228.380 2.005 20 0 BEADMP CC[C@H]([NH3+])C[N@H+](C)CCCc1ccccc1 ZINC001236861165 979763798 /nfs/dbraw/zinc/76/37/98/979763798.db2.gz USDFQGOQHFRWGJ-AWEZNQCLSA-N 2 1 220.360 2.288 20 0 BEADMP CC[C@H]([NH3+])C[N@@H+](C)CCCc1ccccc1 ZINC001236861165 979763800 /nfs/dbraw/zinc/76/38/00/979763800.db2.gz USDFQGOQHFRWGJ-AWEZNQCLSA-N 2 1 220.360 2.288 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCCCC[C@@H]2C)CC[NH2+]1 ZINC000229548208 1168359719 /nfs/dbraw/zinc/35/97/19/1168359719.db2.gz PWCBBFFZNBJJBI-FRRDWIJNSA-N 2 1 210.365 2.391 20 0 BEADMP Cc1ccc(NCCCC[NH+](C)C)[nH+]c1 ZINC000041675818 1168425465 /nfs/dbraw/zinc/42/54/65/1168425465.db2.gz HGDHQHFSXDDMPA-UHFFFAOYSA-N 2 1 207.321 2.144 20 0 BEADMP CC(C)C[N@H+](C)Cc1cccc2c[nH+]cn21 ZINC001238102668 980149772 /nfs/dbraw/zinc/14/97/72/980149772.db2.gz GQIGRAPBQJCCDG-UHFFFAOYSA-N 2 1 217.316 2.422 20 0 BEADMP CC(C)C[N@@H+](C)Cc1cccc2c[nH+]cn21 ZINC001238102668 980149777 /nfs/dbraw/zinc/14/97/77/980149777.db2.gz GQIGRAPBQJCCDG-UHFFFAOYSA-N 2 1 217.316 2.422 20 0 BEADMP CC(C)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC000257691176 1168600158 /nfs/dbraw/zinc/60/01/58/1168600158.db2.gz JEWPDBOCYOTZIU-UHFFFAOYSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)CC(C)(C)C1 ZINC001246651494 1168657728 /nfs/dbraw/zinc/65/77/28/1168657728.db2.gz LTCHPNJDYNGZNY-XJFOESAGSA-N 2 1 236.403 2.495 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cnc(C2CC2)s1 ZINC001348514721 981381246 /nfs/dbraw/zinc/38/12/46/981381246.db2.gz FYOGDSRILNQUDR-VIFPVBQESA-N 2 1 239.388 2.108 20 0 BEADMP CC[C@H](C)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205605139 1168790873 /nfs/dbraw/zinc/79/08/73/1168790873.db2.gz ZFSKTNUGBGMHML-YNEHKIRRSA-N 2 1 212.381 2.339 20 0 BEADMP CC[C@H](C)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC000130039333 1168838005 /nfs/dbraw/zinc/83/80/05/1168838005.db2.gz WXZPXYRUQPDTGD-JTQLQIEISA-N 2 1 207.321 2.321 20 0 BEADMP CC(C)(C)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001201446280 983247806 /nfs/dbraw/zinc/24/78/06/983247806.db2.gz BENLFXJJQXOFMC-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CCCC(C)(C)C2)CC1 ZINC001355214080 983446683 /nfs/dbraw/zinc/44/66/83/983446683.db2.gz GYJKGHXFJHYGIS-UHFFFAOYSA-N 2 1 224.392 2.450 20 0 BEADMP CC(C)CC[C@H](O)C[NH2+]CCC[N@@H+](C)C(C)C ZINC001356569831 983631297 /nfs/dbraw/zinc/63/12/97/983631297.db2.gz QAIYWEGUIGZRRC-AWEZNQCLSA-N 2 1 244.423 2.103 20 0 BEADMP CCOCC[C@H](C)[N@@H+](CC)CCC[NH+](C)C ZINC001172428111 974707497 /nfs/dbraw/zinc/70/74/97/974707497.db2.gz XPGOPHVVIBWFOR-ZDUSSCGKSA-N 2 1 230.396 2.075 20 0 BEADMP CC[C@H](C[NH+]1CCC([NH+](CC)CC)CC1)OC ZINC001327520562 972594227 /nfs/dbraw/zinc/59/42/27/972594227.db2.gz PNQXNQXFSCBIFZ-CQSZACIVSA-N 2 1 242.407 2.218 20 0 BEADMP C[C@H](CC(F)(F)F)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246589576 972986502 /nfs/dbraw/zinc/98/65/02/972986502.db2.gz SSIDMUYCUBALBU-HRDYMLBCSA-N 2 1 242.260 2.089 20 0 BEADMP CC(C)CC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001256371306 970786878 /nfs/dbraw/zinc/78/68/78/970786878.db2.gz MZYFRFWMWRKWSU-MCIONIFRSA-N 2 1 224.392 2.305 20 0 BEADMP CC(C)CC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001256371306 970786883 /nfs/dbraw/zinc/78/68/83/970786883.db2.gz MZYFRFWMWRKWSU-MCIONIFRSA-N 2 1 224.392 2.305 20 0 BEADMP C[C@H](Cc1ccccn1)[NH+]1CCC([NH+](C)C)CC1 ZINC001256411067 970818271 /nfs/dbraw/zinc/81/82/71/970818271.db2.gz ZBNQIGQYCPOOEK-CYBMUJFWSA-N 2 1 247.386 2.039 20 0 BEADMP C[C@H]1C[C@@H](CF)[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256623426 970886964 /nfs/dbraw/zinc/88/69/64/970886964.db2.gz PVGIPDVGGSAIIV-MWWBDVBNSA-N 2 1 240.366 2.292 20 0 BEADMP C[C@H]1C[C@@H](CF)[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256623426 970886968 /nfs/dbraw/zinc/88/69/68/970886968.db2.gz PVGIPDVGGSAIIV-MWWBDVBNSA-N 2 1 240.366 2.292 20 0 BEADMP C[C@H]1C[C@@H](CF)[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256623426 970886972 /nfs/dbraw/zinc/88/69/72/970886972.db2.gz PVGIPDVGGSAIIV-MWWBDVBNSA-N 2 1 240.366 2.292 20 0 BEADMP C[C@@H]1C[C@H](F)C[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256623412 970888389 /nfs/dbraw/zinc/88/83/89/970888389.db2.gz PPDIHFOCCWNNPC-UCEQBCCISA-N 2 1 226.339 2.044 20 0 BEADMP C[C@@H]1C[C@H](F)C[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256623412 970888392 /nfs/dbraw/zinc/88/83/92/970888392.db2.gz PPDIHFOCCWNNPC-UCEQBCCISA-N 2 1 226.339 2.044 20 0 BEADMP C[C@@H]1C[C@H](F)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256623412 970888399 /nfs/dbraw/zinc/88/83/99/970888399.db2.gz PPDIHFOCCWNNPC-UCEQBCCISA-N 2 1 226.339 2.044 20 0 BEADMP C[C@@H]1C[C@H](F)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256623412 970888403 /nfs/dbraw/zinc/88/84/03/970888403.db2.gz PPDIHFOCCWNNPC-UCEQBCCISA-N 2 1 226.339 2.044 20 0 BEADMP C[C@]1([NH3+])CC[N@H+](Cc2cccc3c2CCC3)C1 ZINC001204810609 1169476194 /nfs/dbraw/zinc/47/61/94/1169476194.db2.gz XDMGDQSHCWZYBO-HNNXBMFYSA-N 2 1 230.355 2.098 20 0 BEADMP C[C@]1([NH3+])CC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC001204810609 1169476208 /nfs/dbraw/zinc/47/62/08/1169476208.db2.gz XDMGDQSHCWZYBO-HNNXBMFYSA-N 2 1 230.355 2.098 20 0 BEADMP C[C@H](Cc1ccncc1)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001256721751 970941000 /nfs/dbraw/zinc/94/10/00/970941000.db2.gz UTTNUTXIDOGEHI-HIFRSBDPSA-N 2 1 247.386 2.087 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403451529 970946701 /nfs/dbraw/zinc/94/67/01/970946701.db2.gz GEEUNFMFRXAMTF-SYQHCUMBSA-N 2 1 222.376 2.093 20 0 BEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H](CC)CO1 ZINC000403760020 971049577 /nfs/dbraw/zinc/04/95/77/971049577.db2.gz AHIXBZJDBPBPAA-XJFOESAGSA-N 2 1 240.391 2.003 20 0 BEADMP COCC[N@H+](C(C)C)C1CC[NH+](C(C)C)CC1 ZINC001257219666 971131436 /nfs/dbraw/zinc/13/14/36/971131436.db2.gz HPXFHPKGYVGTCX-UHFFFAOYSA-N 2 1 242.407 2.216 20 0 BEADMP COCC[N@@H+](C(C)C)C1CC[NH+](C(C)C)CC1 ZINC001257219666 971131440 /nfs/dbraw/zinc/13/14/40/971131440.db2.gz HPXFHPKGYVGTCX-UHFFFAOYSA-N 2 1 242.407 2.216 20 0 BEADMP CCC[N@@H+]1C[C@@H]2C[NH+](C(CC)CC)C[C@@H]2C1 ZINC001257302588 971193926 /nfs/dbraw/zinc/19/39/26/971193926.db2.gz ZSESQKANHAGKEE-BETUJISGSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[NH+]1C[C@@H]2C[N@H+](C(CC)CC)C[C@@H]2C1 ZINC001257302588 971193934 /nfs/dbraw/zinc/19/39/34/971193934.db2.gz ZSESQKANHAGKEE-BETUJISGSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[N@@H+](C1)[C@H]2C ZINC001257309391 971203637 /nfs/dbraw/zinc/20/36/37/971203637.db2.gz KOHSMWUVVXFVFC-RVMXOQNASA-N 2 1 210.365 2.247 20 0 BEADMP Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405241657 971220329 /nfs/dbraw/zinc/22/03/29/971220329.db2.gz WKODHTPLHSLXSU-XXILOJSOSA-N 2 1 249.358 2.212 20 0 BEADMP C[C@@]1([NH3+])CC[N@H+](Cc2ccccc2C2CC2)C1 ZINC000405853770 971317061 /nfs/dbraw/zinc/31/70/61/971317061.db2.gz ZIHSMWVKBZROFT-OAHLLOKOSA-N 2 1 230.355 2.487 20 0 BEADMP C[C@@]1([NH3+])CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000405853770 971317067 /nfs/dbraw/zinc/31/70/67/971317067.db2.gz ZIHSMWVKBZROFT-OAHLLOKOSA-N 2 1 230.355 2.487 20 0 BEADMP CC(C)(CC[N@H+]1CC[C@H](CC[NH3+])C1)C1CC1 ZINC000406016432 971324884 /nfs/dbraw/zinc/32/48/84/971324884.db2.gz WQZCHJIVHCUKEF-LBPRGKRZSA-N 2 1 224.392 2.483 20 0 BEADMP C(CC1CC1)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000405935224 971320705 /nfs/dbraw/zinc/32/07/05/971320705.db2.gz AAUILCSMSQXETK-UHFFFAOYSA-N 2 1 222.376 2.252 20 0 BEADMP CC[C@@H](C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001257446902 971363812 /nfs/dbraw/zinc/36/38/12/971363812.db2.gz SFNSDYVVLWBOLX-LLVKDONJSA-N 2 1 210.365 2.344 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)[C@H](C)CC ZINC001257446966 971364225 /nfs/dbraw/zinc/36/42/25/971364225.db2.gz UUMXSHCLZSPHGI-GFCCVEGCSA-N 2 1 200.370 2.449 20 0 BEADMP CCC[N@@H+](CCC[NH3+])C1CCC2(COC2)CC1 ZINC001257896399 971531266 /nfs/dbraw/zinc/53/12/66/971531266.db2.gz OQTOFMURKDMSTR-UHFFFAOYSA-N 2 1 240.391 2.006 20 0 BEADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@@H]2C)CC1 ZINC001258012774 971552276 /nfs/dbraw/zinc/55/22/76/971552276.db2.gz GLSHYZCOUZFFDF-LBPRGKRZSA-N 2 1 210.365 2.201 20 0 BEADMP CCC[NH+](CCC)CC[NH2+][C@H]1CCCOCC1 ZINC001170776386 971799754 /nfs/dbraw/zinc/79/97/54/971799754.db2.gz OCDWVJCDFBYSJS-AWEZNQCLSA-N 2 1 242.407 2.267 20 0 BEADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC001232144002 1169682703 /nfs/dbraw/zinc/68/27/03/1169682703.db2.gz FZAZLUHVRJREEK-OKILXGFUSA-N 2 1 248.345 2.339 20 0 BEADMP C[C@@H]([NH3+])CCNc1ccc(C2CC2)c[nH+]1 ZINC001170890806 972042847 /nfs/dbraw/zinc/04/28/47/972042847.db2.gz PYQAKDYGEQUEBI-SECBINFHSA-N 2 1 205.305 2.108 20 0 BEADMP CCCCc1nc(NCC[C@@H](C)[NH3+])cc(C)[nH+]1 ZINC001170890436 972044248 /nfs/dbraw/zinc/04/42/48/972044248.db2.gz YVMKIZGLCWKKSQ-SNVBAGLBSA-N 2 1 236.363 2.277 20 0 BEADMP C[C@@H]([NH3+])CCNc1ccc([C@H]2CC[N@@H+](C)C2)cc1 ZINC001170894542 972067253 /nfs/dbraw/zinc/06/72/53/972067253.db2.gz KCIVUQQEYKABJO-OCCSQVGLSA-N 2 1 247.386 2.255 20 0 BEADMP CC(C)(C[NH3+])[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170950792 972139763 /nfs/dbraw/zinc/13/97/63/972139763.db2.gz UGGGEEHQKQIRDV-LLVKDONJSA-N 2 1 236.334 2.010 20 0 BEADMP C[N@H+]1CCC=C(c2ccc3[nH]cc(C[NH3+])c3c2)C1 ZINC001241571549 1169733921 /nfs/dbraw/zinc/73/39/21/1169733921.db2.gz DEHSQHASYVMZGJ-UHFFFAOYSA-N 2 1 241.338 2.346 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)nc1 ZINC001246231164 972234917 /nfs/dbraw/zinc/23/49/17/972234917.db2.gz SFJGISPAJUXDHX-JHJVBQTASA-N 2 1 233.359 2.181 20 0 BEADMP Cl/C=C/C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000692954045 957044902 /nfs/dbraw/zinc/04/49/02/957044902.db2.gz GNOLVKQRLPFNFF-NHEDYWLLSA-N 2 1 242.794 2.451 20 0 BEADMP CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208608378 957087338 /nfs/dbraw/zinc/08/73/38/957087338.db2.gz IDQJGGCMPZXSIJ-ZIAGYGMSSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@@H]1CCC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208608378 957087351 /nfs/dbraw/zinc/08/73/51/957087351.db2.gz IDQJGGCMPZXSIJ-ZIAGYGMSSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208608378 957087365 /nfs/dbraw/zinc/08/73/65/957087365.db2.gz IDQJGGCMPZXSIJ-ZIAGYGMSSA-N 2 1 224.392 2.450 20 0 BEADMP C[N@@H+]1CCC[C@H](C[NH+]2CC(c3ccccc3)C2)C1 ZINC001208607490 957091811 /nfs/dbraw/zinc/09/18/11/957091811.db2.gz AFHZPWWYFBTNBQ-AWEZNQCLSA-N 2 1 244.382 2.428 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CC(c3ccccc3)C2)C1 ZINC001208607490 957091815 /nfs/dbraw/zinc/09/18/15/957091815.db2.gz AFHZPWWYFBTNBQ-AWEZNQCLSA-N 2 1 244.382 2.428 20 0 BEADMP C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH+](C)C2)C[C@H]1F ZINC001208605981 957093912 /nfs/dbraw/zinc/09/39/12/957093912.db2.gz CSULTTNCSCBLHU-JHJVBQTASA-N 2 1 228.355 2.008 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C[C@H]1F ZINC001208605981 957093924 /nfs/dbraw/zinc/09/39/24/957093924.db2.gz CSULTTNCSCBLHU-JHJVBQTASA-N 2 1 228.355 2.008 20 0 BEADMP C[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)C[C@H]1F ZINC001208605981 957093935 /nfs/dbraw/zinc/09/39/35/957093935.db2.gz CSULTTNCSCBLHU-JHJVBQTASA-N 2 1 228.355 2.008 20 0 BEADMP C[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C[C@H]1F ZINC001208605981 957093943 /nfs/dbraw/zinc/09/39/43/957093943.db2.gz CSULTTNCSCBLHU-JHJVBQTASA-N 2 1 228.355 2.008 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@H](C(F)F)C2)C1 ZINC001208612796 957097448 /nfs/dbraw/zinc/09/74/48/957097448.db2.gz NZDJGQOJYFIZRE-VXGBXAGGSA-N 2 1 246.345 2.305 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@H](C(F)F)C2)C1 ZINC001208612796 957097462 /nfs/dbraw/zinc/09/74/62/957097462.db2.gz NZDJGQOJYFIZRE-VXGBXAGGSA-N 2 1 246.345 2.305 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@H](C(F)F)C2)C1 ZINC001208612796 957097474 /nfs/dbraw/zinc/09/74/74/957097474.db2.gz NZDJGQOJYFIZRE-VXGBXAGGSA-N 2 1 246.345 2.305 20 0 BEADMP Cc1cn2cc(NC3=CC[N@H+](C)CC3)ccc2[nH+]1 ZINC001208792901 957171036 /nfs/dbraw/zinc/17/10/36/957171036.db2.gz AIKWPDCAJBVGIJ-UHFFFAOYSA-N 2 1 242.326 2.274 20 0 BEADMP Cc1cn2cc(NC3=CC[N@@H+](C)CC3)ccc2[nH+]1 ZINC001208792901 957171044 /nfs/dbraw/zinc/17/10/44/957171044.db2.gz AIKWPDCAJBVGIJ-UHFFFAOYSA-N 2 1 242.326 2.274 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C(C)(C)c2ccccn2)CC[NH2+]1 ZINC001246307223 972268444 /nfs/dbraw/zinc/26/84/44/972268444.db2.gz DIDCXUHXHFDHLA-RYUDHWBXSA-N 2 1 233.359 2.047 20 0 BEADMP CCCC[C@@H]1C[C@H]([NH2+]CC[C@@H]([NH3+])CC)CC[NH2+]1 ZINC001246308887 972270530 /nfs/dbraw/zinc/27/05/30/972270530.db2.gz SXJYMRBJMWSILC-BFHYXJOUSA-N 3 1 241.423 2.014 20 0 BEADMP C[C@H](Cc1ccc(O)cc1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246345262 972299307 /nfs/dbraw/zinc/29/93/07/972299307.db2.gz DLXGVRAAMIGUIY-BZPMIXESSA-N 2 1 248.370 2.053 20 0 BEADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246345262 972299312 /nfs/dbraw/zinc/29/93/12/972299312.db2.gz DLXGVRAAMIGUIY-BZPMIXESSA-N 2 1 248.370 2.053 20 0 BEADMP Cc1cn2cc(Nc3c[nH+]cn3C)ccc2[nH+]1 ZINC001211247164 958108150 /nfs/dbraw/zinc/10/81/50/958108150.db2.gz LJDZLGUNEQLZHK-UHFFFAOYSA-N 2 1 227.271 2.120 20 0 BEADMP c1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246463371 972337613 /nfs/dbraw/zinc/33/76/13/972337613.db2.gz DIHSQBAFKFEACC-LSDHHAIUSA-N 2 1 244.382 2.448 20 0 BEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCCCCO ZINC000308636277 958411625 /nfs/dbraw/zinc/41/16/25/958411625.db2.gz QJRLIFPDMKUKDT-UHFFFAOYSA-N 2 1 242.407 2.003 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C2CCC(F)(F)CC2)C[NH2+]1 ZINC000399010952 958485759 /nfs/dbraw/zinc/48/57/59/958485759.db2.gz XQBXSDAXCNYHOM-MWLCHTKSSA-N 2 1 232.318 2.294 20 0 BEADMP CC(C)[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000693541978 958734885 /nfs/dbraw/zinc/73/48/85/958734885.db2.gz BDNJKWYHELJVIR-MELADBBJSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693567020 958860222 /nfs/dbraw/zinc/86/02/22/958860222.db2.gz FYINJYVTAVPRMX-SGMGOOAPSA-N 2 1 218.344 2.417 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@@H+](C)CC1CCC1 ZINC001207285696 958881076 /nfs/dbraw/zinc/88/10/76/958881076.db2.gz MVXAOMXLFNOISS-UHFFFAOYSA-N 2 1 212.381 2.306 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000690744478 959206469 /nfs/dbraw/zinc/20/64/69/959206469.db2.gz XRMBANVXFHEZTF-LBPRGKRZSA-N 2 1 236.334 2.305 20 0 BEADMP CCOC(C)(C)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222237548 972413194 /nfs/dbraw/zinc/41/31/94/972413194.db2.gz MORCLMZKLURTQM-AWEZNQCLSA-N 2 1 240.391 2.020 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222231893 972416546 /nfs/dbraw/zinc/41/65/46/972416546.db2.gz QJNLKQFBMNSXBZ-ZJIFWQFVSA-N 2 1 246.398 2.417 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222231887 972417339 /nfs/dbraw/zinc/41/73/39/972417339.db2.gz QJNLKQFBMNSXBZ-FZKCQIBNSA-N 2 1 246.398 2.417 20 0 BEADMP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]2)CCc2ccccc21 ZINC000404887012 959367739 /nfs/dbraw/zinc/36/77/39/959367739.db2.gz JDQUSWUHNCFYCF-UKRRQHHQSA-N 2 1 244.382 2.400 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]2)CCc2ccccc21 ZINC000404887012 959367756 /nfs/dbraw/zinc/36/77/56/959367756.db2.gz JDQUSWUHNCFYCF-UKRRQHHQSA-N 2 1 244.382 2.400 20 0 BEADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cncs1 ZINC000693892812 959483760 /nfs/dbraw/zinc/48/37/60/959483760.db2.gz DQKHKBXEQZVGIR-GHMZBOCLSA-N 2 1 239.388 2.278 20 0 BEADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cncs1 ZINC000693892812 959483767 /nfs/dbraw/zinc/48/37/67/959483767.db2.gz DQKHKBXEQZVGIR-GHMZBOCLSA-N 2 1 239.388 2.278 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222384811 972450654 /nfs/dbraw/zinc/45/06/54/972450654.db2.gz AALPXTKBUHDCHN-MGPQQGTHSA-N 2 1 222.376 2.251 20 0 BEADMP CCCC[C@H](CC)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708862457 959985835 /nfs/dbraw/zinc/98/58/35/959985835.db2.gz GYOWGEYBKJEKBX-XQQFMLRXSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H]1CC[N@@H+](CCCCCCC[NH3+])C[C@H](C)O1 ZINC000694857653 960015882 /nfs/dbraw/zinc/01/58/82/960015882.db2.gz KKVVCGRVECDRJA-KGLIPLIRSA-N 2 1 242.407 2.395 20 0 BEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1(Cl)CC1 ZINC000695648048 960322428 /nfs/dbraw/zinc/32/24/28/960322428.db2.gz LLFLZXYGKFNQBW-WAAKLRNESA-N 2 1 242.794 2.361 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1(Cl)CC1 ZINC000695657774 960329008 /nfs/dbraw/zinc/32/90/08/960329008.db2.gz XHXFIAFMCCOQSU-SNVBAGLBSA-N 2 1 242.794 2.363 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000695720260 960401104 /nfs/dbraw/zinc/40/11/04/960401104.db2.gz ZDSOGFAMSIWHLQ-CYBMUJFWSA-N 2 1 222.376 2.237 20 0 BEADMP CSCC[N@@H+](C)Cc1c[nH]c2ccncc12 ZINC001140805386 960603834 /nfs/dbraw/zinc/60/38/34/960603834.db2.gz CTWRHBFMFDUXMC-UHFFFAOYSA-N 2 1 235.356 2.358 20 0 BEADMP CSCC[N@H+](C)Cc1cnc2cc[nH]cc1-2 ZINC001140805386 960603841 /nfs/dbraw/zinc/60/38/41/960603841.db2.gz CTWRHBFMFDUXMC-UHFFFAOYSA-N 2 1 235.356 2.358 20 0 BEADMP CSCC[N@H+](C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805386 960603857 /nfs/dbraw/zinc/60/38/57/960603857.db2.gz CTWRHBFMFDUXMC-UHFFFAOYSA-N 2 1 235.356 2.358 20 0 BEADMP CSCC[N@@H+](C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805386 960603871 /nfs/dbraw/zinc/60/38/71/960603871.db2.gz CTWRHBFMFDUXMC-UHFFFAOYSA-N 2 1 235.356 2.358 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCC3(CCC3)C2)CC[NH2+]1 ZINC000709451162 960612629 /nfs/dbraw/zinc/61/26/29/960612629.db2.gz WRKZAKOIWTZMSD-VXGBXAGGSA-N 2 1 208.349 2.003 20 0 BEADMP C[C@H]1C[C@@H]([N@H+]2CCC3(CCC3)C2)CC[NH2+]1 ZINC000709451160 960615050 /nfs/dbraw/zinc/61/50/50/960615050.db2.gz WRKZAKOIWTZMSD-RYUDHWBXSA-N 2 1 208.349 2.003 20 0 BEADMP Cc1c[nH]c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1C ZINC001140860173 960636640 /nfs/dbraw/zinc/63/66/40/960636640.db2.gz MOJMWUBXSKBOBA-UHFFFAOYSA-N 2 1 249.402 2.405 20 0 BEADMP Cc1c[nH]c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1C ZINC001140861256 960640138 /nfs/dbraw/zinc/64/01/38/960640138.db2.gz DNQAYFLONQBEQD-HNNXBMFYSA-N 2 1 247.386 2.159 20 0 BEADMP Cc1c[nH]c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1C ZINC001140861256 960640147 /nfs/dbraw/zinc/64/01/47/960640147.db2.gz DNQAYFLONQBEQD-HNNXBMFYSA-N 2 1 247.386 2.159 20 0 BEADMP Cc1c[nH]c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1C ZINC001140861256 960640155 /nfs/dbraw/zinc/64/01/55/960640155.db2.gz DNQAYFLONQBEQD-HNNXBMFYSA-N 2 1 247.386 2.159 20 0 BEADMP Cc1c[nH]c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1C ZINC001140861256 960640163 /nfs/dbraw/zinc/64/01/63/960640163.db2.gz DNQAYFLONQBEQD-HNNXBMFYSA-N 2 1 247.386 2.159 20 0 BEADMP CC[NH+]1C[C@H]2C[NH+](Cc3[nH]cc(C)c3C)C[C@@H]2C1 ZINC001140863683 960646174 /nfs/dbraw/zinc/64/61/74/960646174.db2.gz ATEUBWNLQZTLJK-KBPBESRZSA-N 2 1 247.386 2.015 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CC)C1COC1 ZINC001167833379 961181099 /nfs/dbraw/zinc/18/10/99/961181099.db2.gz ANOZOSMMZXLVKO-CYBMUJFWSA-N 2 1 242.407 2.218 20 0 BEADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001207631437 961398006 /nfs/dbraw/zinc/39/80/06/961398006.db2.gz HQBPBKHHLRZSMD-XUWVNRHRSA-N 2 1 246.398 2.226 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001207631437 961398037 /nfs/dbraw/zinc/39/80/37/961398037.db2.gz HQBPBKHHLRZSMD-XUWVNRHRSA-N 2 1 246.398 2.226 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001207631437 961398058 /nfs/dbraw/zinc/39/80/58/961398058.db2.gz HQBPBKHHLRZSMD-XUWVNRHRSA-N 2 1 246.398 2.226 20 0 BEADMP [NH3+]CC[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167893176 961505793 /nfs/dbraw/zinc/50/57/93/961505793.db2.gz DXJJOVGYVBNUKD-QDMKHBRRSA-N 2 1 230.355 2.246 20 0 BEADMP [NH3+]CC[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167893176 961505819 /nfs/dbraw/zinc/50/58/19/961505819.db2.gz DXJJOVGYVBNUKD-QDMKHBRRSA-N 2 1 230.355 2.246 20 0 BEADMP CCC[NH+](CCC)CC[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167893915 961506854 /nfs/dbraw/zinc/50/68/54/961506854.db2.gz LZAYNEWBBLGLJC-BTTYYORXSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167898233 961532275 /nfs/dbraw/zinc/53/22/75/961532275.db2.gz QDGXRGHPYIDNCU-YIYPIFLZSA-N 2 1 222.376 2.106 20 0 BEADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167899412 961539231 /nfs/dbraw/zinc/53/92/31/961539231.db2.gz ZVDABTCHFSKJQV-WDNDVIMCSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000400113404 962245414 /nfs/dbraw/zinc/24/54/14/962245414.db2.gz LGGAQUFIKSPZQB-HXSCFSKGSA-N 2 1 236.403 2.354 20 0 BEADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(Cl)o2)C1 ZINC001206640908 962280636 /nfs/dbraw/zinc/28/06/36/962280636.db2.gz OUSKNJHJCOSAFU-SNVBAGLBSA-N 2 1 242.750 2.494 20 0 BEADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC001206640908 962280655 /nfs/dbraw/zinc/28/06/55/962280655.db2.gz OUSKNJHJCOSAFU-SNVBAGLBSA-N 2 1 242.750 2.494 20 0 BEADMP CCc1cccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)n1 ZINC001206641224 962290517 /nfs/dbraw/zinc/29/05/17/962290517.db2.gz UQNKMKQOANVWML-ZDUSSCGKSA-N 2 1 247.386 2.205 20 0 BEADMP Cc1cnc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(C)c1 ZINC001206646920 962546828 /nfs/dbraw/zinc/54/68/28/962546828.db2.gz FDUIAOIDKGYJNH-AWEZNQCLSA-N 2 1 247.386 2.259 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000924955008 962626125 /nfs/dbraw/zinc/62/61/25/962626125.db2.gz MPZOCWADNKUKAA-UONOGXRCSA-N 2 1 249.402 2.333 20 0 BEADMP CCc1nc(N[C@@]23CCC[C@@H]2[NH2+]CC3)cc(C)[nH+]1 ZINC000711662687 962744388 /nfs/dbraw/zinc/74/43/88/962744388.db2.gz IVGVZMKZIGDVGX-SMDDNHRTSA-N 2 1 246.358 2.044 20 0 BEADMP CCCc1cc(NC2(C)CC[NH2+]CC2)nc(C)[nH+]1 ZINC001157403820 963597611 /nfs/dbraw/zinc/59/76/11/963597611.db2.gz WANMXNMADGQQOB-UHFFFAOYSA-N 2 1 248.374 2.292 20 0 BEADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001168075751 963615373 /nfs/dbraw/zinc/61/53/73/963615373.db2.gz QNFXQWAFPUFXMK-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP COC(=[NH2+])c1cccc(NC2(C)CC[NH2+]CC2)c1 ZINC001168188461 963947742 /nfs/dbraw/zinc/94/77/42/963947742.db2.gz XEMLGTRYKQBTMT-UHFFFAOYSA-N 2 1 247.342 2.212 20 0 BEADMP c1cc(C2CC2)cc(N2CC3(C2)CCC[NH2+]C3)[nH+]1 ZINC001159024800 963976915 /nfs/dbraw/zinc/97/69/15/963976915.db2.gz AQNSKTNDDHXQST-UHFFFAOYSA-N 2 1 243.354 2.149 20 0 BEADMP CC1CCC([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CC1 ZINC001168211394 963989226 /nfs/dbraw/zinc/98/92/26/963989226.db2.gz DERTYXGVEFYKMN-FUUBYGMNSA-N 2 1 236.403 2.449 20 0 BEADMP CC1CCC([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CC1 ZINC001168211394 963989235 /nfs/dbraw/zinc/98/92/35/963989235.db2.gz DERTYXGVEFYKMN-FUUBYGMNSA-N 2 1 236.403 2.449 20 0 BEADMP CC1CCC([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)CC1 ZINC001168211394 963989249 /nfs/dbraw/zinc/98/92/49/963989249.db2.gz DERTYXGVEFYKMN-FUUBYGMNSA-N 2 1 236.403 2.449 20 0 BEADMP C[C@@H]1CC(F)(F)CC[N@@H+]1CCC[NH2+]C1CC1 ZINC000697497952 964113762 /nfs/dbraw/zinc/11/37/62/964113762.db2.gz GHEABMCCKWPHTF-SNVBAGLBSA-N 2 1 232.318 2.248 20 0 BEADMP C[C@@H]1CC(F)(F)CC[N@H+]1CCC[NH2+]C1CC1 ZINC000697497952 964113771 /nfs/dbraw/zinc/11/37/71/964113771.db2.gz GHEABMCCKWPHTF-SNVBAGLBSA-N 2 1 232.318 2.248 20 0 BEADMP Cc1cc2ns[nH]c-2cc1=[NH+]C1=CCCNC1 ZINC001159933337 964228739 /nfs/dbraw/zinc/22/87/39/964228739.db2.gz WMYCEZWDMZMEGY-UHFFFAOYSA-N 2 1 246.339 2.289 20 0 BEADMP C(Nc1ccc2[nH]c[nH+]c2c1)=C1CC[NH2+]CC1 ZINC001160224547 964264536 /nfs/dbraw/zinc/26/45/36/964264536.db2.gz SLDUCMJCNCBFAH-UHFFFAOYSA-N 2 1 228.299 2.242 20 0 BEADMP Cc1cc[nH+]c(NCc2ccccc2C[NH3+])c1 ZINC000061841397 964277726 /nfs/dbraw/zinc/27/77/26/964277726.db2.gz AYFNBKJRFINKDV-UHFFFAOYSA-N 2 1 227.311 2.461 20 0 BEADMP COCC[N@@H+](C(C)C)C1CCC([NH+](C)C)CC1 ZINC001168322788 964444685 /nfs/dbraw/zinc/44/46/85/964444685.db2.gz IDNJGNWZPVSWFR-UHFFFAOYSA-N 2 1 242.407 2.216 20 0 BEADMP C[NH+](C)C1CCC([N@H+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC001168326544 964455821 /nfs/dbraw/zinc/45/58/21/964455821.db2.gz ATRHMPSLYDXSCK-GFJIZPEISA-N 2 1 222.376 2.344 20 0 BEADMP C[NH+](C)C1CCC([N@H+](C)CC(F)F)CC1 ZINC001168333613 964468065 /nfs/dbraw/zinc/46/80/65/964468065.db2.gz ASEHGDVHOOTJLY-UHFFFAOYSA-N 2 1 220.307 2.056 20 0 BEADMP C[NH+](C)C1CCC([N@@H+](C)CC(F)F)CC1 ZINC001168333613 964468070 /nfs/dbraw/zinc/46/80/70/964468070.db2.gz ASEHGDVHOOTJLY-UHFFFAOYSA-N 2 1 220.307 2.056 20 0 BEADMP Cc1c[nH+]c(Nc2cccc(CC[NH3+])c2)c(N)c1 ZINC001161078195 964514599 /nfs/dbraw/zinc/51/45/99/964514599.db2.gz ZSJJOVWZTFQGEF-UHFFFAOYSA-N 2 1 242.326 2.217 20 0 BEADMP C[N@H+]1CCC[C@](C)(Nc2[nH+]ccc3[nH]ccc32)C1 ZINC001162330194 964933008 /nfs/dbraw/zinc/93/30/08/964933008.db2.gz BAYDZBHDCNXGPX-AWEZNQCLSA-N 2 1 244.342 2.459 20 0 BEADMP C(C1CC1)[NH+]1CCC([NH+]2CC3(CCC3)C2)CC1 ZINC001168371410 964939720 /nfs/dbraw/zinc/93/97/20/964939720.db2.gz FVOBGMNCGGWMJH-UHFFFAOYSA-N 2 1 234.387 2.347 20 0 BEADMP CCc1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)[nH+]c1 ZINC001162399316 964959000 /nfs/dbraw/zinc/95/90/00/964959000.db2.gz AYRKTQVJWFUPFZ-VXGBXAGGSA-N 2 1 219.332 2.326 20 0 BEADMP Cc1cc(N[C@H]2CCC[C@H]([NH3+])C2)c2[nH+]ccn2c1 ZINC001162399541 964959218 /nfs/dbraw/zinc/95/92/18/964959218.db2.gz BRTRRYCANWFCIY-RYUDHWBXSA-N 2 1 244.342 2.325 20 0 BEADMP C(C1CC1)[NH+]1CCC([N@H+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC001168387912 965111882 /nfs/dbraw/zinc/11/18/82/965111882.db2.gz XZXNSSVQNFBANF-DZGCQCFKSA-N 2 1 234.387 2.345 20 0 BEADMP C1=C[C@H](Nc2cc(C3CC3)cc[nH+]2)[C@@H]2C[NH2+]C[C@@H]12 ZINC001162797341 965187794 /nfs/dbraw/zinc/18/77/94/965187794.db2.gz MAWWJAJLYQYHRF-MCIONIFRSA-N 2 1 241.338 2.145 20 0 BEADMP CCCC(C[NH3+])(CCC)Nc1cccc(N)[nH+]1 ZINC001163038886 965237824 /nfs/dbraw/zinc/23/78/24/965237824.db2.gz TVJWRJWZNHLTQU-UHFFFAOYSA-N 2 1 236.363 2.373 20 0 BEADMP CCc1ccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)[nH+]c1 ZINC001163267048 965321786 /nfs/dbraw/zinc/32/17/86/965321786.db2.gz JWKQFGCPXZPNNF-AGIUHOORSA-N 2 1 231.343 2.054 20 0 BEADMP C[C@@H]1C[C@@H](n2c[nH+]cc2C2CC[NH2+]CC2)CCO1 ZINC000300591693 965387063 /nfs/dbraw/zinc/38/70/63/965387063.db2.gz WKEFTZCLMMJGPO-YPMHNXCESA-N 2 1 249.358 2.090 20 0 BEADMP Cc1cc[nH+]c(C)c1N[C@@H](C)C[NH+](C)C ZINC001163782730 965585330 /nfs/dbraw/zinc/58/53/30/965585330.db2.gz PIPLHKPXONILCR-JTQLQIEISA-N 2 1 207.321 2.060 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001205094181 965725756 /nfs/dbraw/zinc/72/57/56/965725756.db2.gz JZCNXXCZYYAIRK-RFQIPJPRSA-N 2 1 220.360 2.012 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001205094180 965727114 /nfs/dbraw/zinc/72/71/14/965727114.db2.gz JZCNXXCZYYAIRK-REWJHTLYSA-N 2 1 220.360 2.012 20 0 BEADMP CCc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)o1 ZINC001205094986 965735081 /nfs/dbraw/zinc/73/50/81/965735081.db2.gz SLBCMECTSLGESJ-NSHDSACASA-N 2 1 222.332 2.155 20 0 BEADMP CCC[N@H+](CC(F)F)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699203651 965803984 /nfs/dbraw/zinc/80/39/84/965803984.db2.gz JFANSJWSSSOZOZ-YOGCLGLASA-N 2 1 246.345 2.494 20 0 BEADMP CCC[N@@H+](CC(F)F)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699203651 965803994 /nfs/dbraw/zinc/80/39/94/965803994.db2.gz JFANSJWSSSOZOZ-YOGCLGLASA-N 2 1 246.345 2.494 20 0 BEADMP CC(C)[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699206725 965816990 /nfs/dbraw/zinc/81/69/90/965816990.db2.gz YZVGIHVNUHTNNN-WIGRTHMWSA-N 2 1 236.403 2.495 20 0 BEADMP COc1cc(C)cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205109552 965831595 /nfs/dbraw/zinc/83/15/95/965831595.db2.gz IKBHWEWYLHZSHK-CQSZACIVSA-N 2 1 248.370 2.317 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)ccc1O ZINC001205110122 965834855 /nfs/dbraw/zinc/83/48/55/965834855.db2.gz PCXJUKMCFHACDD-ZDUSSCGKSA-N 2 1 234.343 2.014 20 0 BEADMP Cc1cc(F)cc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205110584 965836007 /nfs/dbraw/zinc/83/60/07/965836007.db2.gz WHRYYKJMUWUOMX-AWEZNQCLSA-N 2 1 236.334 2.447 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001234979706 965983676 /nfs/dbraw/zinc/98/36/76/965983676.db2.gz QVNJVQMNUUYYPP-ZQDZILKHSA-N 2 1 234.387 2.130 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001234979697 965984715 /nfs/dbraw/zinc/98/47/15/965984715.db2.gz QVNJVQMNUUYYPP-LJISPDSOSA-N 2 1 234.387 2.130 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235124257 966008551 /nfs/dbraw/zinc/00/85/51/966008551.db2.gz LIFMWFYSFIMCAN-XUWVNRHRSA-N 2 1 246.398 2.417 20 0 BEADMP CCC[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959457 966179432 /nfs/dbraw/zinc/17/94/32/966179432.db2.gz QAESLDZBYLAQFO-FVCCEPFGSA-N 2 1 210.365 2.092 20 0 BEADMP [NH3+][C@]12CC[C@@H]1C[N@H+](CC1(c3ccccc3)CC1)C2 ZINC001235977622 966190525 /nfs/dbraw/zinc/19/05/25/966190525.db2.gz HHVPVBCLELEXKW-ZBFHGGJFSA-N 2 1 242.366 2.141 20 0 BEADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](CC1(c3ccccc3)CC1)C2 ZINC001235977622 966190536 /nfs/dbraw/zinc/19/05/36/966190536.db2.gz HHVPVBCLELEXKW-ZBFHGGJFSA-N 2 1 242.366 2.141 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)C2CC2)C1 ZINC000253185308 966225722 /nfs/dbraw/zinc/22/57/22/966225722.db2.gz HZTREZVDQLQLLN-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H](CC[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1)CC(C)(C)C ZINC001236016778 966227728 /nfs/dbraw/zinc/22/77/28/966227728.db2.gz PPCPWMLMKYUCLG-YRGRVCCFSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@H](CC[N@H+]1C[C@H]2C[C@@]2([NH3+])C1)CC(C)(C)C ZINC001236016778 966227737 /nfs/dbraw/zinc/22/77/37/966227737.db2.gz PPCPWMLMKYUCLG-YRGRVCCFSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2cccc3c2CCC3)C1 ZINC001236052298 966255757 /nfs/dbraw/zinc/25/57/57/966255757.db2.gz PYSVZUZMDRQCMR-IUODEOHRSA-N 2 1 244.382 2.344 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2cccc3c2CCC3)C1 ZINC001236052298 966255766 /nfs/dbraw/zinc/25/57/66/966255766.db2.gz PYSVZUZMDRQCMR-IUODEOHRSA-N 2 1 244.382 2.344 20 0 BEADMP CC1(C[NH3+])C[NH+](CCc2ccc(Cl)cc2)C1 ZINC001206712156 966260674 /nfs/dbraw/zinc/26/06/74/966260674.db2.gz UBIKZZSIPDOLOA-UHFFFAOYSA-N 2 1 238.762 2.163 20 0 BEADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000691657809 966288131 /nfs/dbraw/zinc/28/81/31/966288131.db2.gz AIGBDFCZIYVSAN-WUCCLRPBSA-N 2 1 236.403 2.483 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314188 966366153 /nfs/dbraw/zinc/36/61/53/966366153.db2.gz JRHCZXFJVHDUKD-ZVDSWSACSA-N 2 1 246.398 2.130 20 0 BEADMP Cc1cc(C)c(C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1C ZINC001236411410 966410348 /nfs/dbraw/zinc/41/03/48/966410348.db2.gz GOCNQCAUNUPURD-ZSHCYNCHSA-N 2 1 244.382 2.261 20 0 BEADMP Cc1cc(C)c(C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1C ZINC001236411410 966410355 /nfs/dbraw/zinc/41/03/55/966410355.db2.gz GOCNQCAUNUPURD-ZSHCYNCHSA-N 2 1 244.382 2.261 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]CC3(C)CCC3)[C@@H]2C1 ZINC001204089352 966891831 /nfs/dbraw/zinc/89/18/31/966891831.db2.gz MGVNUHXCBGEYHC-XQQFMLRXSA-N 2 1 222.376 2.106 20 0 BEADMP CC(C)[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001204128143 966898646 /nfs/dbraw/zinc/89/86/46/966898646.db2.gz IXJUVWXWBVTONI-RFQIPJPRSA-N 2 1 222.376 2.247 20 0 BEADMP CC[N@@H+](Cc1ccccc1)C[C@@H]1CNC(C)(C)O1 ZINC001204611194 967103227 /nfs/dbraw/zinc/10/32/27/967103227.db2.gz DEXUJXCOELSZCP-AWEZNQCLSA-N 2 1 248.370 2.233 20 0 BEADMP CC[N@H+](Cc1ccccc1)C[C@@H]1CNC(C)(C)O1 ZINC001204611194 967103238 /nfs/dbraw/zinc/10/32/38/967103238.db2.gz DEXUJXCOELSZCP-AWEZNQCLSA-N 2 1 248.370 2.233 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@](C)([NH3+])C2)CC1 ZINC001204762772 967150584 /nfs/dbraw/zinc/15/05/84/967150584.db2.gz DFNNKZOISLXKRU-IHRRRGAJSA-N 2 1 222.376 2.402 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1CCOCc1ccccc1 ZINC001205058734 967311100 /nfs/dbraw/zinc/31/11/00/967311100.db2.gz SYAHPWJJSAMDIO-ZFWWWQNUSA-N 2 1 248.370 2.015 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1CCOCc1ccccc1 ZINC001205058734 967311104 /nfs/dbraw/zinc/31/11/04/967311104.db2.gz SYAHPWJJSAMDIO-ZFWWWQNUSA-N 2 1 248.370 2.015 20 0 BEADMP Cc1ccc(CCC[N@H+]2CCC[C@H]([NH3+])CC2)o1 ZINC001205093851 967337256 /nfs/dbraw/zinc/33/72/56/967337256.db2.gz GPDBLQUPGYBFRM-ZDUSSCGKSA-N 2 1 236.359 2.334 20 0 BEADMP Cc1cccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1F ZINC001205103066 967345434 /nfs/dbraw/zinc/34/54/34/967345434.db2.gz XURVOYHCCBIPIA-CYBMUJFWSA-N 2 1 236.334 2.447 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205109276 967351064 /nfs/dbraw/zinc/35/10/64/967351064.db2.gz DIFIVJKCTFVMOK-CQSZACIVSA-N 2 1 236.334 2.447 20 0 BEADMP COc1c(C)cccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205124690 967368679 /nfs/dbraw/zinc/36/86/79/967368679.db2.gz YDMGXNLXYOAHNN-AWEZNQCLSA-N 2 1 248.370 2.317 20 0 BEADMP Cc1csc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205136112 967383260 /nfs/dbraw/zinc/38/32/60/967383260.db2.gz OWXXRNKUIXLNQA-WDEREUQCSA-N 2 1 224.373 2.083 20 0 BEADMP CCc1cccc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205196871 967423329 /nfs/dbraw/zinc/42/33/29/967423329.db2.gz CTHMHSHLOYUCBL-IUODEOHRSA-N 2 1 232.371 2.479 20 0 BEADMP CCc1cccc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205196871 967423335 /nfs/dbraw/zinc/42/33/35/967423335.db2.gz CTHMHSHLOYUCBL-IUODEOHRSA-N 2 1 232.371 2.479 20 0 BEADMP C[C@]1([NH3+])CCC[N@@H+](CCCc2cccnc2)CC1 ZINC001205257132 967443552 /nfs/dbraw/zinc/44/35/52/967443552.db2.gz SLZZCWZMHVBOOU-HNNXBMFYSA-N 2 1 247.386 2.218 20 0 BEADMP C[C@@]1([NH3+])CCC[N@@H+](CCc2cccs2)CC1 ZINC001205256609 967448267 /nfs/dbraw/zinc/44/82/67/967448267.db2.gz QBKMDZRIPSONPX-CYBMUJFWSA-N 2 1 238.400 2.494 20 0 BEADMP Cc1cccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)n1 ZINC001205263631 967459390 /nfs/dbraw/zinc/45/93/90/967459390.db2.gz AYQPIZZFEYKWLI-AWEZNQCLSA-N 2 1 233.359 2.093 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)nc1 ZINC001205273154 967467315 /nfs/dbraw/zinc/46/73/15/967467315.db2.gz GIKWPBGQAFHKAB-AWEZNQCLSA-N 2 1 233.359 2.093 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1O ZINC001205288843 967479323 /nfs/dbraw/zinc/47/93/23/967479323.db2.gz PADJCWIQHYAWOY-HNNXBMFYSA-N 2 1 248.370 2.404 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205537483 967674705 /nfs/dbraw/zinc/67/47/05/967674705.db2.gz HMDGCXQWFUXJFB-LBPRGKRZSA-N 2 1 216.344 2.185 20 0 BEADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CCC(F)(F)F)CC1 ZINC001205539486 967678815 /nfs/dbraw/zinc/67/88/15/967678815.db2.gz ZQNPHXYEAQQDTP-SECBINFHSA-N 2 1 242.260 2.092 20 0 BEADMP Cc1cnccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205602630 967717335 /nfs/dbraw/zinc/71/73/35/967717335.db2.gz KSPGCQQEZVNOMB-OCCSQVGLSA-N 2 1 247.386 2.197 20 0 BEADMP CNc1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2CN)cc1 ZINC001205851774 967853944 /nfs/dbraw/zinc/85/39/44/967853944.db2.gz BNPANYSTZGSGTI-SWLSCSKDSA-N 2 1 247.386 2.288 20 0 BEADMP CNc1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2CN)cc1 ZINC001205851774 967853946 /nfs/dbraw/zinc/85/39/46/967853946.db2.gz BNPANYSTZGSGTI-SWLSCSKDSA-N 2 1 247.386 2.288 20 0 BEADMP CNc1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205851774 967853949 /nfs/dbraw/zinc/85/39/49/967853949.db2.gz BNPANYSTZGSGTI-SWLSCSKDSA-N 2 1 247.386 2.288 20 0 BEADMP CNc1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205851774 967853951 /nfs/dbraw/zinc/85/39/51/967853951.db2.gz BNPANYSTZGSGTI-SWLSCSKDSA-N 2 1 247.386 2.288 20 0 BEADMP CNc1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2CN)cc1 ZINC001205851775 967855152 /nfs/dbraw/zinc/85/51/52/967855152.db2.gz BNPANYSTZGSGTI-WFASDCNBSA-N 2 1 247.386 2.288 20 0 BEADMP CNc1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2CN)cc1 ZINC001205851775 967855157 /nfs/dbraw/zinc/85/51/57/967855157.db2.gz BNPANYSTZGSGTI-WFASDCNBSA-N 2 1 247.386 2.288 20 0 BEADMP CNc1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205851775 967855162 /nfs/dbraw/zinc/85/51/62/967855162.db2.gz BNPANYSTZGSGTI-WFASDCNBSA-N 2 1 247.386 2.288 20 0 BEADMP CNc1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205851775 967855164 /nfs/dbraw/zinc/85/51/64/967855164.db2.gz BNPANYSTZGSGTI-WFASDCNBSA-N 2 1 247.386 2.288 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205981474 967920670 /nfs/dbraw/zinc/92/06/70/967920670.db2.gz DHSOUPLQCVPADU-YNEHKIRRSA-N 2 1 212.381 2.339 20 0 BEADMP Cc1c[nH]c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1C ZINC001206004358 967956962 /nfs/dbraw/zinc/95/69/62/967956962.db2.gz RWSGPBFJRVLWJX-GXTWGEPZSA-N 2 1 249.402 2.438 20 0 BEADMP C[C@@H]1CC[N@H+](Cc2cccc3c2CCC3)C[C@H]1[NH3+] ZINC001206050020 968014823 /nfs/dbraw/zinc/01/48/23/968014823.db2.gz XNTDZDNEVKCJQC-MLGOLLRUSA-N 2 1 244.382 2.344 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2cccc3c2CCC3)C[C@H]1[NH3+] ZINC001206050020 968014835 /nfs/dbraw/zinc/01/48/35/968014835.db2.gz XNTDZDNEVKCJQC-MLGOLLRUSA-N 2 1 244.382 2.344 20 0 BEADMP C[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C[C@@H]1C ZINC001206109601 968064984 /nfs/dbraw/zinc/06/49/84/968064984.db2.gz DEBMAQMUWMZXTR-AGIUHOORSA-N 2 1 240.391 2.079 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C[C@@H]1C ZINC001206109601 968064988 /nfs/dbraw/zinc/06/49/88/968064988.db2.gz DEBMAQMUWMZXTR-AGIUHOORSA-N 2 1 240.391 2.079 20 0 BEADMP [NH3+][C@H]1CC[N@H+](Cc2ccsc2)CC[C@H]1F ZINC001206165543 968105254 /nfs/dbraw/zinc/10/52/54/968105254.db2.gz NZLBXCQVXDDXJB-MNOVXSKESA-N 2 1 228.336 2.009 20 0 BEADMP [NH3+][C@H]1CC[N@@H+](Cc2ccsc2)CC[C@H]1F ZINC001206165543 968105258 /nfs/dbraw/zinc/10/52/58/968105258.db2.gz NZLBXCQVXDDXJB-MNOVXSKESA-N 2 1 228.336 2.009 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CCC[NH2+]C[C@@H]2C)c1 ZINC001206258451 968180310 /nfs/dbraw/zinc/18/03/10/968180310.db2.gz ZDMLUNVMFCQYQE-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP Cc1cc(C)cc(C[N@@H+]2CCC[NH2+]C[C@@H]2C)c1 ZINC001206258451 968180312 /nfs/dbraw/zinc/18/03/12/968180312.db2.gz ZDMLUNVMFCQYQE-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP CC[C@H](C)C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206336893 968246046 /nfs/dbraw/zinc/24/60/46/968246046.db2.gz OUBWOZCRSBBPLP-NWDGAFQWSA-N 2 1 216.344 2.185 20 0 BEADMP CC[C@H](C)C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206336893 968246055 /nfs/dbraw/zinc/24/60/55/968246055.db2.gz OUBWOZCRSBBPLP-NWDGAFQWSA-N 2 1 216.344 2.185 20 0 BEADMP COC(C)(C)CC[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206295766 968203436 /nfs/dbraw/zinc/20/34/36/968203436.db2.gz NJKYYQVRQYUWSO-CQSZACIVSA-N 2 1 242.407 2.252 20 0 BEADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(O)c2)C1 ZINC001206541843 968365843 /nfs/dbraw/zinc/36/58/43/968365843.db2.gz LOTMGQRYGWNKFA-HNNXBMFYSA-N 2 1 248.370 2.343 20 0 BEADMP Cc1c[nH]c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1C ZINC001206623291 968424993 /nfs/dbraw/zinc/42/49/93/968424993.db2.gz KWBCQLUSHKCQMK-ZDUSSCGKSA-N 2 1 235.375 2.192 20 0 BEADMP CNc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1 ZINC001206640950 968426234 /nfs/dbraw/zinc/42/62/34/968426234.db2.gz PXKMKYIOTYOEHJ-CQSZACIVSA-N 2 1 247.386 2.289 20 0 BEADMP C[N@@H+]1CC[C@H]2C[NH+](CCC3CC3)C[C@H]2CC1 ZINC001276513100 968680040 /nfs/dbraw/zinc/68/00/40/968680040.db2.gz IIBMMGBZVOPSPY-OKILXGFUSA-N 2 1 222.376 2.060 20 0 BEADMP C[C@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207275798 968714536 /nfs/dbraw/zinc/71/45/36/968714536.db2.gz PQIZGSCZMANBSA-LBPRGKRZSA-N 2 1 212.381 2.306 20 0 BEADMP CO[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)[C@H](C)C1 ZINC001207284145 968719953 /nfs/dbraw/zinc/71/99/53/968719953.db2.gz KIERBJURAMPPAC-OLZOCXBDSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207284955 968720165 /nfs/dbraw/zinc/72/01/65/968720165.db2.gz VZENJDBEWSRTCR-GFCCVEGCSA-N 2 1 212.381 2.306 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)CC1 ZINC001207395509 968752409 /nfs/dbraw/zinc/75/24/09/968752409.db2.gz SHCHXBZWVTZPKJ-GJZGRUSLSA-N 2 1 236.403 2.450 20 0 BEADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](C)CC2)C[C@@H]1F ZINC001207479278 968793122 /nfs/dbraw/zinc/79/31/22/968793122.db2.gz DWADZCTWFYOJEB-YPMHNXCESA-N 2 1 228.355 2.008 20 0 BEADMP C[N@@H+](CC1CCCC1)C[C@H]1CCCC[NH2+]C1 ZINC000829275122 968825412 /nfs/dbraw/zinc/82/54/12/968825412.db2.gz KLUYVMYNMVUWLQ-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP C[N@H+](CC1CCSCC1)C1CC[NH+](C)CC1 ZINC001207692627 968862141 /nfs/dbraw/zinc/86/21/41/968862141.db2.gz GNLJLVBNXICPSZ-UHFFFAOYSA-N 2 1 242.432 2.156 20 0 BEADMP C[N@@H+](CC1CCSCC1)C1CC[NH+](C)CC1 ZINC001207692627 968862142 /nfs/dbraw/zinc/86/21/42/968862142.db2.gz GNLJLVBNXICPSZ-UHFFFAOYSA-N 2 1 242.432 2.156 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]CC3(C)CCCC3)[C@@H]2C1 ZINC001207843936 968899486 /nfs/dbraw/zinc/89/94/86/968899486.db2.gz JBODQXVWOWPHTJ-BFHYXJOUSA-N 2 1 236.403 2.497 20 0 BEADMP C[N@@H+](CC1(C)CC[NH+](C)CC1)C(C)(C)C ZINC001208107115 969001815 /nfs/dbraw/zinc/00/18/15/969001815.db2.gz NYPLILKTTPVBMD-UHFFFAOYSA-N 2 1 212.381 2.449 20 0 BEADMP CC[N@@H+](Cc1ccncc1)C[C@@H]1CCC[NH+](C)C1 ZINC001208604766 969155203 /nfs/dbraw/zinc/15/52/03/969155203.db2.gz UFEIIRNQHLQFFT-OAHLLOKOSA-N 2 1 247.386 2.245 20 0 BEADMP CC[N@H+](Cc1ccncc1)C[C@@H]1CCC[NH+](C)C1 ZINC001208604766 969155208 /nfs/dbraw/zinc/15/52/08/969155208.db2.gz UFEIIRNQHLQFFT-OAHLLOKOSA-N 2 1 247.386 2.245 20 0 BEADMP CC[NH+](Cc1ccncc1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208604766 969155214 /nfs/dbraw/zinc/15/52/14/969155214.db2.gz UFEIIRNQHLQFFT-OAHLLOKOSA-N 2 1 247.386 2.245 20 0 BEADMP CC[NH+](Cc1ccncc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208604766 969155222 /nfs/dbraw/zinc/15/52/22/969155222.db2.gz UFEIIRNQHLQFFT-OAHLLOKOSA-N 2 1 247.386 2.245 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@H]3CCCC[C@@H]3C2)C1 ZINC001208608726 969160462 /nfs/dbraw/zinc/16/04/62/969160462.db2.gz WJGJKNNQKBKVAA-RRFJBIMHSA-N 2 1 236.403 2.450 20 0 BEADMP C[N@H+]1CC=C([NH+]=c2ccc3ns[nH]c-3c2)CC1 ZINC001208839221 969250045 /nfs/dbraw/zinc/25/00/45/969250045.db2.gz ZAFULFMPBLTPTQ-UHFFFAOYSA-N 2 1 246.339 2.323 20 0 BEADMP C[N@@H+]1CC=C([NH+]=c2ccc3ns[nH]c-3c2)CC1 ZINC001208839221 969250052 /nfs/dbraw/zinc/25/00/52/969250052.db2.gz ZAFULFMPBLTPTQ-UHFFFAOYSA-N 2 1 246.339 2.323 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccoc2)CCC[C@@H]1C[NH3+] ZINC001205996332 969303756 /nfs/dbraw/zinc/30/37/56/969303756.db2.gz WGQIDGOMUCXZBF-DGCLKSJQSA-N 2 1 222.332 2.086 20 0 BEADMP CC[N@H+](CCCc1ccncc1)CCC[NH+](C)C ZINC001209189295 969377724 /nfs/dbraw/zinc/37/77/24/969377724.db2.gz IWFFRQFGMLTMAK-UHFFFAOYSA-N 2 1 249.402 2.288 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1C3)C2 ZINC001169099737 969393333 /nfs/dbraw/zinc/39/33/33/969393333.db2.gz UMDBHGFOFYKMFD-ZLCQRPCESA-N 2 1 234.387 2.390 20 0 BEADMP Cc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccn1 ZINC001169079210 969396202 /nfs/dbraw/zinc/39/62/02/969396202.db2.gz JWVQGKPASVGVFM-QDMKHBRRSA-N 2 1 245.370 2.105 20 0 BEADMP Cc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccn1 ZINC001169079210 969396207 /nfs/dbraw/zinc/39/62/07/969396207.db2.gz JWVQGKPASVGVFM-QDMKHBRRSA-N 2 1 245.370 2.105 20 0 BEADMP Cc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccn1 ZINC001169079212 969399771 /nfs/dbraw/zinc/39/97/71/969399771.db2.gz JWVQGKPASVGVFM-QKDCVEJESA-N 2 1 245.370 2.105 20 0 BEADMP Cc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccn1 ZINC001169079212 969399774 /nfs/dbraw/zinc/39/97/74/969399774.db2.gz JWVQGKPASVGVFM-QKDCVEJESA-N 2 1 245.370 2.105 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CC[C@@H](F)C1)C2 ZINC001169081534 969403471 /nfs/dbraw/zinc/40/34/71/969403471.db2.gz SRJIUSUQRHWHPA-KSTCHIGDSA-N 2 1 240.366 2.339 20 0 BEADMP C[C@@H]1CCCC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123389 969417810 /nfs/dbraw/zinc/41/78/10/969417810.db2.gz KOLAETVAOWQEGT-MQYQWHSLSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@@H]1CCCC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123389 969417806 /nfs/dbraw/zinc/41/78/06/969417806.db2.gz KOLAETVAOWQEGT-MQYQWHSLSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@@H]1CCCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169123389 969417814 /nfs/dbraw/zinc/41/78/14/969417814.db2.gz KOLAETVAOWQEGT-MQYQWHSLSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@@H]1CCCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169123389 969417820 /nfs/dbraw/zinc/41/78/20/969417820.db2.gz KOLAETVAOWQEGT-MQYQWHSLSA-N 2 1 222.376 2.486 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCCCC1)C2 ZINC001169124306 969419946 /nfs/dbraw/zinc/41/99/46/969419946.db2.gz BUSBXTGDXRTUOU-BTTYYORXSA-N 2 1 222.376 2.488 20 0 BEADMP C[N@H+](C1CC(F)(F)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125883 969428944 /nfs/dbraw/zinc/42/89/44/969428944.db2.gz NAQDMJWVSFDBIC-JGPRNRPPSA-N 2 1 244.329 2.341 20 0 BEADMP C[N@@H+](C1CC(F)(F)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125883 969428947 /nfs/dbraw/zinc/42/89/47/969428947.db2.gz NAQDMJWVSFDBIC-JGPRNRPPSA-N 2 1 244.329 2.341 20 0 BEADMP C[NH+](C1CC(F)(F)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169125883 969428948 /nfs/dbraw/zinc/42/89/48/969428948.db2.gz NAQDMJWVSFDBIC-JGPRNRPPSA-N 2 1 244.329 2.341 20 0 BEADMP C[NH+](C1CC(F)(F)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125883 969428953 /nfs/dbraw/zinc/42/89/53/969428953.db2.gz NAQDMJWVSFDBIC-JGPRNRPPSA-N 2 1 244.329 2.341 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@](C)(CF)C1)C2 ZINC001169126498 969430881 /nfs/dbraw/zinc/43/08/81/969430881.db2.gz VHCBWORKGPQETO-XJFOESAGSA-N 2 1 240.366 2.293 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@](C)(CF)C1)C2 ZINC001169126498 969430884 /nfs/dbraw/zinc/43/08/84/969430884.db2.gz VHCBWORKGPQETO-XJFOESAGSA-N 2 1 240.366 2.293 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@](C)(CF)C1)C2 ZINC001169126498 969430893 /nfs/dbraw/zinc/43/08/93/969430893.db2.gz VHCBWORKGPQETO-XJFOESAGSA-N 2 1 240.366 2.293 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC1(C)C)C2 ZINC001169126993 969431073 /nfs/dbraw/zinc/43/10/73/969431073.db2.gz ZFKZMPPJCHVPFQ-CLLJXQQHSA-N 2 1 222.376 2.486 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC1(C)C)C2 ZINC001169126993 969431077 /nfs/dbraw/zinc/43/10/77/969431077.db2.gz ZFKZMPPJCHVPFQ-CLLJXQQHSA-N 2 1 222.376 2.486 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC1(C)C)C2 ZINC001169126993 969431080 /nfs/dbraw/zinc/43/10/80/969431080.db2.gz ZFKZMPPJCHVPFQ-CLLJXQQHSA-N 2 1 222.376 2.486 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC1(C)C)C2 ZINC001169126993 969431084 /nfs/dbraw/zinc/43/10/84/969431084.db2.gz ZFKZMPPJCHVPFQ-CLLJXQQHSA-N 2 1 222.376 2.486 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@H]3CCC[C@@H]3C1)C2 ZINC001169126547 969431921 /nfs/dbraw/zinc/43/19/21/969431921.db2.gz WCSDJRGANQPYBN-ZSAUSMIDSA-N 2 1 234.387 2.344 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC3(CC3)C1)C2 ZINC001169128036 969433593 /nfs/dbraw/zinc/43/35/93/969433593.db2.gz BTAXKZSHOBSIIK-ITGUQSILSA-N 2 1 220.360 2.098 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC3(CC3)C1)C2 ZINC001169128036 969433598 /nfs/dbraw/zinc/43/35/98/969433598.db2.gz BTAXKZSHOBSIIK-ITGUQSILSA-N 2 1 220.360 2.098 20 0 BEADMP CC[C@@H](C)[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169130909 969436527 /nfs/dbraw/zinc/43/65/27/969436527.db2.gz PWAGAJCAABTMGH-FVCCEPFGSA-N 2 1 210.365 2.342 20 0 BEADMP CC[C@@H](C)[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169130909 969436539 /nfs/dbraw/zinc/43/65/39/969436539.db2.gz PWAGAJCAABTMGH-FVCCEPFGSA-N 2 1 210.365 2.342 20 0 BEADMP CC[C@@H](C)[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169130909 969436547 /nfs/dbraw/zinc/43/65/47/969436547.db2.gz PWAGAJCAABTMGH-FVCCEPFGSA-N 2 1 210.365 2.342 20 0 BEADMP C[NH+](CC1CCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169141828 969454122 /nfs/dbraw/zinc/45/41/22/969454122.db2.gz SHTTZGFMMLUXDU-BTTYYORXSA-N 2 1 222.376 2.344 20 0 BEADMP C[NH+](CC1CCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169141828 969454129 /nfs/dbraw/zinc/45/41/29/969454129.db2.gz SHTTZGFMMLUXDU-BTTYYORXSA-N 2 1 222.376 2.344 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1C[C@@H]3C[C@H]1C[C@H]3F)C2 ZINC001169140903 969454451 /nfs/dbraw/zinc/45/44/51/969454451.db2.gz VKBKDWHNFCUOEH-KYTCRMMBSA-N 2 1 238.350 2.044 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1C[C@@H]3C[C@H]1C[C@H]3F)C2 ZINC001169140903 969454456 /nfs/dbraw/zinc/45/44/56/969454456.db2.gz VKBKDWHNFCUOEH-KYTCRMMBSA-N 2 1 238.350 2.044 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](CF)C1)C2 ZINC001169142797 969455842 /nfs/dbraw/zinc/45/58/42/969455842.db2.gz VXSKCKDKLRTOTK-IGQOVBAYSA-N 2 1 240.366 2.293 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](CF)C1)C2 ZINC001169142797 969455848 /nfs/dbraw/zinc/45/58/48/969455848.db2.gz VXSKCKDKLRTOTK-IGQOVBAYSA-N 2 1 240.366 2.293 20 0 BEADMP C[C@H]1C[C@@H]1C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001209412980 969477114 /nfs/dbraw/zinc/47/71/14/969477114.db2.gz JQGOAEPMFWLJIE-GXTWGEPZSA-N 2 1 234.387 2.060 20 0 BEADMP C[C@H]1C[C@@H]1C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001209412980 969477119 /nfs/dbraw/zinc/47/71/19/969477119.db2.gz JQGOAEPMFWLJIE-GXTWGEPZSA-N 2 1 234.387 2.060 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H](OC)CC2)CC1 ZINC001169230574 969502809 /nfs/dbraw/zinc/50/28/09/969502809.db2.gz GWLLBMOANOAFPM-MQMHXKEQSA-N 2 1 240.391 2.018 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CCc3ncccc32)CC1 ZINC001169233908 969515214 /nfs/dbraw/zinc/51/52/14/969515214.db2.gz YBHOKHMGCIHORE-HNNXBMFYSA-N 2 1 245.370 2.143 20 0 BEADMP CC[NH+]1CCC([NH+]2Cc3ccccc3C2)CC1 ZINC001169244129 969530775 /nfs/dbraw/zinc/53/07/75/969530775.db2.gz CFTYNLWMAVYPRT-UHFFFAOYSA-N 2 1 230.355 2.487 20 0 BEADMP CC[C@@H]1CCC[N@@H+]1C1CC[NH+](CC)CC1 ZINC001169258219 969545631 /nfs/dbraw/zinc/54/56/31/969545631.db2.gz GXVFCGOMQZPZJQ-GFCCVEGCSA-N 2 1 210.365 2.345 20 0 BEADMP CC[C@@H]1CCC[N@H+]1C1CC[NH+](CC)CC1 ZINC001169258219 969545634 /nfs/dbraw/zinc/54/56/34/969545634.db2.gz GXVFCGOMQZPZJQ-GFCCVEGCSA-N 2 1 210.365 2.345 20 0 BEADMP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)[nH]1 ZINC001209572954 969555305 /nfs/dbraw/zinc/55/53/05/969555305.db2.gz KROFBSDNKYKGMB-UHFFFAOYSA-N 2 1 235.375 2.097 20 0 BEADMP Nc1cc[nH+]cc1C[NH+]1CCC2(CC(F)C2)CC1 ZINC001209729465 969589920 /nfs/dbraw/zinc/58/99/20/969589920.db2.gz LEKSXVQKPFYDTB-UHFFFAOYSA-N 2 1 249.333 2.208 20 0 BEADMP C[N@H+]1CCC[C@@H](NC(=[NH2+])C(C)(C)C)CC1 ZINC001254499712 969658616 /nfs/dbraw/zinc/65/86/16/969658616.db2.gz OFLIPKXWOPFZFR-SNVBAGLBSA-N 2 1 211.353 2.084 20 0 BEADMP C[C@H]1C[C@@H](CF)[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254516381 969685063 /nfs/dbraw/zinc/68/50/63/969685063.db2.gz MDTGXOWJOBXZAY-XQQFMLRXSA-N 2 1 228.355 2.151 20 0 BEADMP C[C@H]1C[C@@H](CF)[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254516381 969685067 /nfs/dbraw/zinc/68/50/67/969685067.db2.gz MDTGXOWJOBXZAY-XQQFMLRXSA-N 2 1 228.355 2.151 20 0 BEADMP C[C@H]1C[C@@H](CF)[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254516381 969685072 /nfs/dbraw/zinc/68/50/72/969685072.db2.gz MDTGXOWJOBXZAY-XQQFMLRXSA-N 2 1 228.355 2.151 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2CCCC[C@H](F)C2)CC1 ZINC001254516448 969686589 /nfs/dbraw/zinc/68/65/89/969686589.db2.gz MLMMHUPJBRLPSO-QWHCGFSZSA-N 2 1 228.355 2.295 20 0 BEADMP C[N@@H+]1CCC[C@H]([NH+]2CCCC2(C)C)CC1 ZINC001254515847 969687949 /nfs/dbraw/zinc/68/79/49/969687949.db2.gz FAZKUMBMLMFKAQ-LBPRGKRZSA-N 2 1 210.365 2.345 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2CCCC2(C)C)CC1 ZINC001254515847 969687952 /nfs/dbraw/zinc/68/79/52/969687952.db2.gz FAZKUMBMLMFKAQ-LBPRGKRZSA-N 2 1 210.365 2.345 20 0 BEADMP C[NH+]1CCC[C@H]([N@@H+]2CCCC2(C)C)CC1 ZINC001254515847 969687957 /nfs/dbraw/zinc/68/79/57/969687957.db2.gz FAZKUMBMLMFKAQ-LBPRGKRZSA-N 2 1 210.365 2.345 20 0 BEADMP C[NH+]1CCC[C@H]([N@H+]2CCCC2(C)C)CC1 ZINC001254515847 969687963 /nfs/dbraw/zinc/68/79/63/969687963.db2.gz FAZKUMBMLMFKAQ-LBPRGKRZSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@@H]1CC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C[C@H]1F ZINC001254516495 969689993 /nfs/dbraw/zinc/68/99/93/969689993.db2.gz NEBYONGCHIRDOX-JHJVBQTASA-N 2 1 228.355 2.151 20 0 BEADMP C[C@@H]1CC[N@H+]([C@@H]2CCC[NH+](C)CC2)C[C@H]1F ZINC001254516495 969689998 /nfs/dbraw/zinc/68/99/98/969689998.db2.gz NEBYONGCHIRDOX-JHJVBQTASA-N 2 1 228.355 2.151 20 0 BEADMP C[C@@H]1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)C[C@H]1F ZINC001254516495 969690004 /nfs/dbraw/zinc/69/00/04/969690004.db2.gz NEBYONGCHIRDOX-JHJVBQTASA-N 2 1 228.355 2.151 20 0 BEADMP C[C@@H]1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C[C@H]1F ZINC001254516495 969690009 /nfs/dbraw/zinc/69/00/09/969690009.db2.gz NEBYONGCHIRDOX-JHJVBQTASA-N 2 1 228.355 2.151 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001254524475 969705361 /nfs/dbraw/zinc/70/53/61/969705361.db2.gz CDHOCYGJUHNHRA-UPJWGTAASA-N 2 1 222.376 2.059 20 0 BEADMP C[NH+]1CCC[C@@H]([N@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001254524475 969705371 /nfs/dbraw/zinc/70/53/71/969705371.db2.gz CDHOCYGJUHNHRA-UPJWGTAASA-N 2 1 222.376 2.059 20 0 BEADMP C[NH+]1CCC[C@@H]([N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001254524475 969705377 /nfs/dbraw/zinc/70/53/77/969705377.db2.gz CDHOCYGJUHNHRA-UPJWGTAASA-N 2 1 222.376 2.059 20 0 BEADMP Cc1ccc(C[N@@H+](C)[C@@H]2CCC[NH+](C)CC2)cn1 ZINC001254532647 969726045 /nfs/dbraw/zinc/72/60/45/969726045.db2.gz VTBHJYJCVNVIEG-OAHLLOKOSA-N 2 1 247.386 2.306 20 0 BEADMP Cc1ccc(C[N@H+](C)[C@@H]2CCC[NH+](C)CC2)cn1 ZINC001254532647 969726054 /nfs/dbraw/zinc/72/60/54/969726054.db2.gz VTBHJYJCVNVIEG-OAHLLOKOSA-N 2 1 247.386 2.306 20 0 BEADMP Cc1ccc(C[NH+](C)[C@@H]2CCC[N@H+](C)CC2)cn1 ZINC001254532647 969726062 /nfs/dbraw/zinc/72/60/62/969726062.db2.gz VTBHJYJCVNVIEG-OAHLLOKOSA-N 2 1 247.386 2.306 20 0 BEADMP Cc1ccc(C[NH+](C)[C@@H]2CCC[N@@H+](C)CC2)cn1 ZINC001254532647 969726068 /nfs/dbraw/zinc/72/60/68/969726068.db2.gz VTBHJYJCVNVIEG-OAHLLOKOSA-N 2 1 247.386 2.306 20 0 BEADMP Cc1ncccc1C[N@@H+](C)[C@@H]1CCC[NH+](C)CC1 ZINC001254529234 969726876 /nfs/dbraw/zinc/72/68/76/969726876.db2.gz FKANMLZLJKKPBA-OAHLLOKOSA-N 2 1 247.386 2.306 20 0 BEADMP Cc1ncccc1C[N@H+](C)[C@@H]1CCC[NH+](C)CC1 ZINC001254529234 969726883 /nfs/dbraw/zinc/72/68/83/969726883.db2.gz FKANMLZLJKKPBA-OAHLLOKOSA-N 2 1 247.386 2.306 20 0 BEADMP Cc1ncccc1C[NH+](C)[C@@H]1CCC[N@H+](C)CC1 ZINC001254529234 969726892 /nfs/dbraw/zinc/72/68/92/969726892.db2.gz FKANMLZLJKKPBA-OAHLLOKOSA-N 2 1 247.386 2.306 20 0 BEADMP Cc1ncccc1C[NH+](C)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254529234 969726896 /nfs/dbraw/zinc/72/68/96/969726896.db2.gz FKANMLZLJKKPBA-OAHLLOKOSA-N 2 1 247.386 2.306 20 0 BEADMP Cc1cc([NH2+]CC23CC[NH+](CC2)CC3)ccc1N ZINC001169796396 969860162 /nfs/dbraw/zinc/86/01/62/969860162.db2.gz NAUWVHUPPFQUJY-UHFFFAOYSA-N 2 1 245.370 2.475 20 0 BEADMP Cn1cc[nH+]c1NC1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001210706009 970000607 /nfs/dbraw/zinc/00/06/07/970000607.db2.gz YBDYVGZMKIBFSJ-ZDUSSCGKSA-N 2 1 246.358 2.364 20 0 BEADMP [NH3+]CCC[C@H]1CCCC[N@H+]([C@@H]2CCSC2)C1 ZINC001255280324 970033339 /nfs/dbraw/zinc/03/33/39/970033339.db2.gz YYUDMKSOSWSDCI-CHWSQXEVSA-N 2 1 242.432 2.333 20 0 BEADMP CC(C)CCC[C@@H](C)[NH2+]CCC[N@@H+](C)CCO ZINC001170073432 970165783 /nfs/dbraw/zinc/16/57/83/970165783.db2.gz KKVNHILQSBTTGP-CQSZACIVSA-N 2 1 244.423 2.105 20 0 BEADMP C[N@H+]1CCC[C@@H](n2ccc3c2cccc3C[NH3+])C1 ZINC001255467381 970195192 /nfs/dbraw/zinc/19/51/92/970195192.db2.gz BPAHHYLLZNRYAL-CYBMUJFWSA-N 2 1 243.354 2.367 20 0 BEADMP Cn1c[nH+]cc1Nc1ccc2c(c1)C[N@H+](C)CC2 ZINC001211254726 970199565 /nfs/dbraw/zinc/19/95/65/970199565.db2.gz ZEGWVXYQIALNKE-UHFFFAOYSA-N 2 1 242.326 2.152 20 0 BEADMP C[C@@H]1C[N@@H+](CCC2CCCC2)CC[C@H]1C[NH3+] ZINC000300719219 970300901 /nfs/dbraw/zinc/30/09/01/970300901.db2.gz AUMLOZMBKJYSCR-OCCSQVGLSA-N 2 1 224.392 2.483 20 0 BEADMP CCOC(=[NH2+])c1ccc(C2=CC[NH2+]C2)cc1 ZINC001243111602 970357774 /nfs/dbraw/zinc/35/77/74/970357774.db2.gz SGEBXGUOBHHAFW-UHFFFAOYSA-N 2 1 216.284 2.035 20 0 BEADMP C[C@H]1CC[C@@H](n2cc[nH+]c2CCC[NH3+])C1 ZINC001170124670 970363003 /nfs/dbraw/zinc/36/30/03/970363003.db2.gz HBFOPXJUZMILIC-WDEREUQCSA-N 2 1 207.321 2.136 20 0 BEADMP C[C@H]1CC[N@@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255674697 970450355 /nfs/dbraw/zinc/45/03/55/970450355.db2.gz SXQTXKMLKDJGFG-ACJTYDJDSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@H]1CC[N@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255674697 970450366 /nfs/dbraw/zinc/45/03/66/970450366.db2.gz SXQTXKMLKDJGFG-ACJTYDJDSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@H]1CC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255674697 970450369 /nfs/dbraw/zinc/45/03/69/970450369.db2.gz SXQTXKMLKDJGFG-ACJTYDJDSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@H]1CC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255674697 970450378 /nfs/dbraw/zinc/45/03/78/970450378.db2.gz SXQTXKMLKDJGFG-ACJTYDJDSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@@H]1C[C@@H](F)C[N@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255674118 970450748 /nfs/dbraw/zinc/45/07/48/970450748.db2.gz KZXWAIWTQSFWRU-LSGALXMHSA-N 2 1 240.366 2.434 20 0 BEADMP C[C@@H]1C[C@@H](F)C[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255674118 970450751 /nfs/dbraw/zinc/45/07/51/970450751.db2.gz KZXWAIWTQSFWRU-LSGALXMHSA-N 2 1 240.366 2.434 20 0 BEADMP C[C@@H]1C[C@@H](F)C[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255674118 970450752 /nfs/dbraw/zinc/45/07/52/970450752.db2.gz KZXWAIWTQSFWRU-LSGALXMHSA-N 2 1 240.366 2.434 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H](COC)C1 ZINC001255957067 970592741 /nfs/dbraw/zinc/59/27/41/970592741.db2.gz OQVBVLZDVBZQJB-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001255965999 970600452 /nfs/dbraw/zinc/60/04/52/970600452.db2.gz IYDYPDMOSBLEIG-SYQHCUMBSA-N 2 1 242.382 2.254 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[NH+]1CC2CC(C2)C1 ZINC001255972095 970608905 /nfs/dbraw/zinc/60/89/05/970608905.db2.gz NCFPBQMWILWEJD-HSBZDZAISA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC001256207262 970708088 /nfs/dbraw/zinc/70/80/88/970708088.db2.gz FNLVBRDAKALFDE-NEPJUHHUSA-N 2 1 210.365 2.201 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246542248 972569209 /nfs/dbraw/zinc/56/92/09/972569209.db2.gz NZNJWVZWNMQXSB-IHRRRGAJSA-N 2 1 242.407 2.393 20 0 BEADMP [NH3+][C@H]1CCC[N@H+]([C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001246542998 972583572 /nfs/dbraw/zinc/58/35/72/972583572.db2.gz QWZBYFANCUUZIX-QWHCGFSZSA-N 2 1 248.345 2.106 20 0 BEADMP CCC(CC)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246570829 972845439 /nfs/dbraw/zinc/84/54/39/972845439.db2.gz WAOYUPUOOVKNMF-VXGBXAGGSA-N 2 1 212.381 2.482 20 0 BEADMP C[N@H+]1CC[C@H](c2ccc(NCC(C)(C)[NH3+])cc2)C1 ZINC001171194482 972847547 /nfs/dbraw/zinc/84/75/47/972847547.db2.gz PCCGITFQHAUPIO-ZDUSSCGKSA-N 2 1 247.386 2.255 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@](C)(F)CC2)CC[NH2+]1 ZINC001246573133 972857600 /nfs/dbraw/zinc/85/76/00/972857600.db2.gz YUBYOFQTQWTFPD-UPJWGTAASA-N 2 1 228.355 2.341 20 0 BEADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001246577792 972895305 /nfs/dbraw/zinc/89/53/05/972895305.db2.gz PPYPWULJAVSTJH-ZOBORPQBSA-N 2 1 222.376 2.236 20 0 BEADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001246594969 973002517 /nfs/dbraw/zinc/00/25/17/973002517.db2.gz WWVVEEDDQJDVLW-ITGHMWBKSA-N 2 1 236.403 2.480 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](C2CCCCC2)CC[C@H]1F ZINC001246593407 973009158 /nfs/dbraw/zinc/00/91/58/973009158.db2.gz WXFJRKFGGGWBQM-VXGBXAGGSA-N 2 1 214.328 2.080 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](C2CCCCC2)CC[C@H]1F ZINC001246593407 973009172 /nfs/dbraw/zinc/00/91/72/973009172.db2.gz WXFJRKFGGGWBQM-VXGBXAGGSA-N 2 1 214.328 2.080 20 0 BEADMP CCCCC[C@H](CC)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246611230 973030690 /nfs/dbraw/zinc/03/06/90/973030690.db2.gz BFOLUJWEHZXIQH-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP COCC[C@@H]1CCCC[N@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246780991 973086480 /nfs/dbraw/zinc/08/64/80/973086480.db2.gz DBLNNVGKJGDULP-HZSPNIEDSA-N 2 1 240.391 2.018 20 0 BEADMP COC(C)(C)[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246811817 973113310 /nfs/dbraw/zinc/11/33/10/973113310.db2.gz XMXHUXTUYZPDAC-XQQFMLRXSA-N 2 1 240.391 2.016 20 0 BEADMP CC(C)=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246875009 973265925 /nfs/dbraw/zinc/26/59/25/973265925.db2.gz XGBFEJFMJOWZIX-AVGNSLFASA-N 2 1 208.349 2.154 20 0 BEADMP CC(C)=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246875009 973265932 /nfs/dbraw/zinc/26/59/32/973265932.db2.gz XGBFEJFMJOWZIX-AVGNSLFASA-N 2 1 208.349 2.154 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cncc(C)c1 ZINC001329024803 973432870 /nfs/dbraw/zinc/43/28/70/973432870.db2.gz VDJCYOWFDUBEBE-RYUDHWBXSA-N 2 1 221.348 2.039 20 0 BEADMP C1[NH2+][C@@H]2C[N@H+](C3CCC4(CCCC4)CC3)C[C@H]12 ZINC001246913949 973446633 /nfs/dbraw/zinc/44/66/33/973446633.db2.gz BQANWVOZPFQZJG-GXTWGEPZSA-N 2 1 234.387 2.393 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3C[NH2+]C[C@H]32)CC(C)(C)C1 ZINC001246919613 973479787 /nfs/dbraw/zinc/47/97/87/973479787.db2.gz NPXLIWBUVIXESV-MROQNXINSA-N 2 1 222.376 2.105 20 0 BEADMP CCCC[C@@H](C)[N@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001246927744 973538104 /nfs/dbraw/zinc/53/81/04/973538104.db2.gz IAJQVYWOROSQFF-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP CCCC[C@@H](C)[N@@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001246927744 973538119 /nfs/dbraw/zinc/53/81/19/973538119.db2.gz IAJQVYWOROSQFF-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP CCCC[C@H](C)[N@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001246927743 973538246 /nfs/dbraw/zinc/53/82/46/973538246.db2.gz IAJQVYWOROSQFF-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP CCCC[C@H](C)[N@@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001246927743 973538253 /nfs/dbraw/zinc/53/82/53/973538253.db2.gz IAJQVYWOROSQFF-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP CC(C)(C)C1CCC([N@H+]2C[C@H]3C[NH2+][C@@H]3C2)CC1 ZINC001246928467 973547021 /nfs/dbraw/zinc/54/70/21/973547021.db2.gz ZYOPJKSKJDISFO-BLYZHGLHSA-N 2 1 236.403 2.495 20 0 BEADMP C1CC2(C1)CCC[N@H+](C1CC[NH2+]CC1)C2 ZINC001246942490 973638905 /nfs/dbraw/zinc/63/89/05/973638905.db2.gz PJBGKHRWRBXZMI-UHFFFAOYSA-N 2 1 208.349 2.005 20 0 BEADMP F[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC001329499112 973800069 /nfs/dbraw/zinc/80/00/69/973800069.db2.gz ONQLGWRDYWNVCG-ZOBORPQBSA-N 2 1 240.366 2.484 20 0 BEADMP C[C@H]1C[C@H](C[N@@H+](C)CCC(F)(F)F)CC[NH2+]1 ZINC000235684748 973883873 /nfs/dbraw/zinc/88/38/73/973883873.db2.gz NJHQWIPDOWSIFV-VHSXEESVSA-N 2 1 238.297 2.259 20 0 BEADMP Cc1ccc(CC[C@@H](C)[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001171657109 974122393 /nfs/dbraw/zinc/12/23/93/974122393.db2.gz BBXAAZBFRPPKBL-HIFRSBDPSA-N 2 1 232.371 2.349 20 0 BEADMP Cc1ccc(CC[C@@H](C)[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001171657109 974122403 /nfs/dbraw/zinc/12/24/03/974122403.db2.gz BBXAAZBFRPPKBL-HIFRSBDPSA-N 2 1 232.371 2.349 20 0 BEADMP CCC(CC)C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206152814 974230497 /nfs/dbraw/zinc/23/04/97/974230497.db2.gz BEJPOQILGXHIMV-RYUDHWBXSA-N 2 1 216.344 2.184 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206152814 974230504 /nfs/dbraw/zinc/23/05/04/974230504.db2.gz BEJPOQILGXHIMV-RYUDHWBXSA-N 2 1 216.344 2.184 20 0 BEADMP c1cc(C[NH2+]CCC[NH+]2CCCC2)n(C2CC2)c1 ZINC001330528669 974294064 /nfs/dbraw/zinc/29/40/64/974294064.db2.gz MABHZWKIWPAKQT-UHFFFAOYSA-N 2 1 247.386 2.399 20 0 BEADMP CC/C=C\CC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206153972 974316562 /nfs/dbraw/zinc/31/65/62/974316562.db2.gz FUWUTUIRSNEAOB-OPVGQWETSA-N 2 1 214.328 2.104 20 0 BEADMP CC/C=C\CC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206153972 974316571 /nfs/dbraw/zinc/31/65/71/974316571.db2.gz FUWUTUIRSNEAOB-OPVGQWETSA-N 2 1 214.328 2.104 20 0 BEADMP N[C@H]1CC[N@@H+](CCC2CCCC2)CC[C@@H]1F ZINC001206156913 974327647 /nfs/dbraw/zinc/32/76/47/974327647.db2.gz UFCPOKZPPHJIOO-STQMWFEESA-N 2 1 228.355 2.328 20 0 BEADMP [NH3+][C@H]1CC[N@H+](CCC2CCCC2)CC[C@@H]1F ZINC001206156913 974327656 /nfs/dbraw/zinc/32/76/56/974327656.db2.gz UFCPOKZPPHJIOO-STQMWFEESA-N 2 1 228.355 2.328 20 0 BEADMP [NH3+][C@H]1CC[N@@H+](CCC2CCCC2)CC[C@@H]1F ZINC001206156913 974327665 /nfs/dbraw/zinc/32/76/65/974327665.db2.gz UFCPOKZPPHJIOO-STQMWFEESA-N 2 1 228.355 2.328 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206154541 974333342 /nfs/dbraw/zinc/33/33/42/974333342.db2.gz JUUWNNJTSDSIOW-KGLIPLIRSA-N 2 1 236.334 2.256 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206154541 974333350 /nfs/dbraw/zinc/33/33/50/974333350.db2.gz JUUWNNJTSDSIOW-KGLIPLIRSA-N 2 1 236.334 2.256 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccnc1)C2 ZINC001172099216 974340579 /nfs/dbraw/zinc/34/05/79/974340579.db2.gz GODRFKZWHKAECZ-QKDCVEJESA-N 2 1 245.370 2.187 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(F)cc2)CC[C@@H]1F ZINC001206156638 974344610 /nfs/dbraw/zinc/34/46/10/974344610.db2.gz RMXDJZBKTSNFNI-QWHCGFSZSA-N 2 1 240.297 2.087 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(F)cc2)CC[C@@H]1F ZINC001206156638 974344614 /nfs/dbraw/zinc/34/46/14/974344614.db2.gz RMXDJZBKTSNFNI-QWHCGFSZSA-N 2 1 240.297 2.087 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(F)cc2)CC[C@H]1F ZINC001206156635 974345362 /nfs/dbraw/zinc/34/53/62/974345362.db2.gz RMXDJZBKTSNFNI-CHWSQXEVSA-N 2 1 240.297 2.087 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(F)cc2)CC[C@H]1F ZINC001206156635 974345365 /nfs/dbraw/zinc/34/53/65/974345365.db2.gz RMXDJZBKTSNFNI-CHWSQXEVSA-N 2 1 240.297 2.087 20 0 BEADMP CC(C)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100269 974347899 /nfs/dbraw/zinc/34/78/99/974347899.db2.gz NZDICZAMGZSOLY-XYYAHUGASA-N 2 1 210.365 2.247 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]3C[C@H]31)C2 ZINC001172129925 974349495 /nfs/dbraw/zinc/34/94/95/974349495.db2.gz MEPISAUBPCWGPM-VQJWOFKYSA-N 2 1 234.387 2.486 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]3C[C@H]31)C2 ZINC001172129925 974349501 /nfs/dbraw/zinc/34/95/01/974349501.db2.gz MEPISAUBPCWGPM-VQJWOFKYSA-N 2 1 234.387 2.486 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]3C[C@H]31)C2 ZINC001172129925 974349511 /nfs/dbraw/zinc/34/95/11/974349511.db2.gz MEPISAUBPCWGPM-VQJWOFKYSA-N 2 1 234.387 2.486 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H]3C[C@H]31)C2 ZINC001172129925 974349517 /nfs/dbraw/zinc/34/95/17/974349517.db2.gz MEPISAUBPCWGPM-VQJWOFKYSA-N 2 1 234.387 2.486 20 0 BEADMP CC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104873 974369075 /nfs/dbraw/zinc/36/90/75/974369075.db2.gz GORYAUHYKYPJNK-FVCCEPFGSA-N 2 1 210.365 2.390 20 0 BEADMP CC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104873 974369085 /nfs/dbraw/zinc/36/90/85/974369085.db2.gz GORYAUHYKYPJNK-FVCCEPFGSA-N 2 1 210.365 2.390 20 0 BEADMP C[C@H]([NH3+])c1ccn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172106283 974369279 /nfs/dbraw/zinc/36/92/79/974369279.db2.gz OUWSTKBOCHXQDI-RVMXOQNASA-N 2 1 248.374 2.091 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cccc1C[NH3+])C2 ZINC001172108343 974373745 /nfs/dbraw/zinc/37/37/45/974373745.db2.gz UWPGUHUPNOCERQ-IMRBUKKESA-N 2 1 233.359 2.135 20 0 BEADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](C)CC1CC1)C2 ZINC001172115709 974384596 /nfs/dbraw/zinc/38/45/96/974384596.db2.gz ZAJZZLPKKACMRZ-WDNDVIMCSA-N 2 1 222.376 2.344 20 0 BEADMP C[N@H+](CC1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172115709 974384608 /nfs/dbraw/zinc/38/46/08/974384608.db2.gz ZAJZZLPKKACMRZ-WDNDVIMCSA-N 2 1 222.376 2.344 20 0 BEADMP C[N@@H+](CC1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172115709 974384616 /nfs/dbraw/zinc/38/46/16/974384616.db2.gz ZAJZZLPKKACMRZ-WDNDVIMCSA-N 2 1 222.376 2.344 20 0 BEADMP C[NH+](CC1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115709 974384627 /nfs/dbraw/zinc/38/46/27/974384627.db2.gz ZAJZZLPKKACMRZ-WDNDVIMCSA-N 2 1 222.376 2.344 20 0 BEADMP C[NH+](CC1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115709 974384640 /nfs/dbraw/zinc/38/46/40/974384640.db2.gz ZAJZZLPKKACMRZ-WDNDVIMCSA-N 2 1 222.376 2.344 20 0 BEADMP CCC[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113240 974384806 /nfs/dbraw/zinc/38/48/06/974384806.db2.gz HUMLTVCUPHKAES-ITGUQSILSA-N 2 1 210.365 2.344 20 0 BEADMP CCC[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113240 974384811 /nfs/dbraw/zinc/38/48/11/974384811.db2.gz HUMLTVCUPHKAES-ITGUQSILSA-N 2 1 210.365 2.344 20 0 BEADMP CCC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113240 974384819 /nfs/dbraw/zinc/38/48/19/974384819.db2.gz HUMLTVCUPHKAES-ITGUQSILSA-N 2 1 210.365 2.344 20 0 BEADMP CCC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113240 974384825 /nfs/dbraw/zinc/38/48/25/974384825.db2.gz HUMLTVCUPHKAES-ITGUQSILSA-N 2 1 210.365 2.344 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H]1C1CC1)C2 ZINC001172113827 974386710 /nfs/dbraw/zinc/38/67/10/974386710.db2.gz MUPZERUVZABQLB-KHMAMNHCSA-N 2 1 234.387 2.390 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H]1C1CC1)C2 ZINC001172113827 974386715 /nfs/dbraw/zinc/38/67/15/974386715.db2.gz MUPZERUVZABQLB-KHMAMNHCSA-N 2 1 234.387 2.390 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(F)CC1)C2 ZINC001172115732 974386909 /nfs/dbraw/zinc/38/69/09/974386909.db2.gz ZPLVEAYHSQTMLS-BTTYYORXSA-N 2 1 240.366 2.436 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(F)CC1)C2 ZINC001172115732 974386919 /nfs/dbraw/zinc/38/69/19/974386919.db2.gz ZPLVEAYHSQTMLS-BTTYYORXSA-N 2 1 240.366 2.436 20 0 BEADMP C[C@@H]1CC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121710 974391220 /nfs/dbraw/zinc/39/12/20/974391220.db2.gz SXQTXKMLKDJGFG-NDBYEHHHSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@@H]1CC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121710 974391226 /nfs/dbraw/zinc/39/12/26/974391226.db2.gz SXQTXKMLKDJGFG-NDBYEHHHSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@@H]1CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121710 974391234 /nfs/dbraw/zinc/39/12/34/974391234.db2.gz SXQTXKMLKDJGFG-NDBYEHHHSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@@H]1CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121710 974391240 /nfs/dbraw/zinc/39/12/40/974391240.db2.gz SXQTXKMLKDJGFG-NDBYEHHHSA-N 2 1 208.349 2.096 20 0 BEADMP CC[N@H+]1CC[C@@H](Oc2ccc(C[NH+](C)C)cc2)C1 ZINC001225330968 974409107 /nfs/dbraw/zinc/40/91/07/974409107.db2.gz UXPUVDHSNGZARW-OAHLLOKOSA-N 2 1 248.370 2.221 20 0 BEADMP COCCC[NH+]1CCC([N@H+](C)CC(C)C)CC1 ZINC001172250459 974512369 /nfs/dbraw/zinc/51/23/69/974512369.db2.gz SMOAPJIGBXZZKL-UHFFFAOYSA-N 2 1 242.407 2.075 20 0 BEADMP COCCC[NH+]1CCC([N@@H+](C)CC(C)C)CC1 ZINC001172250459 974512378 /nfs/dbraw/zinc/51/23/78/974512378.db2.gz SMOAPJIGBXZZKL-UHFFFAOYSA-N 2 1 242.407 2.075 20 0 BEADMP CC[C@H](C)OCC[C@@H](C)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC001172318292 974526674 /nfs/dbraw/zinc/52/66/74/974526674.db2.gz IMHUZSOQJNEGRM-FRRDWIJNSA-N 2 1 228.380 2.003 20 0 BEADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC001172318292 974526676 /nfs/dbraw/zinc/52/66/76/974526676.db2.gz IMHUZSOQJNEGRM-FRRDWIJNSA-N 2 1 228.380 2.003 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)oc1C ZINC001206164075 974630428 /nfs/dbraw/zinc/63/04/28/974630428.db2.gz JEWVGTOMJNUZKN-QWHCGFSZSA-N 2 1 240.322 2.158 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)oc1C ZINC001206164075 974630432 /nfs/dbraw/zinc/63/04/32/974630432.db2.gz JEWVGTOMJNUZKN-QWHCGFSZSA-N 2 1 240.322 2.158 20 0 BEADMP Cc1cc(N2CCC[C@]3(CC[N@H+](C)C3)C2)cc[nH+]1 ZINC001277063965 974642263 /nfs/dbraw/zinc/64/22/63/974642263.db2.gz CUHLZJINYWOQBG-OAHLLOKOSA-N 2 1 245.370 2.312 20 0 BEADMP Cc1ccc2c(c1)C[C@@H]([NH2+]C(C)(C)C[NH3+])CC2 ZINC001172826306 974949925 /nfs/dbraw/zinc/94/99/25/974949925.db2.gz UHDGRMPGXRHYIU-AWEZNQCLSA-N 2 1 232.371 2.179 20 0 BEADMP CCCOC1CCC([N@@H+](C)C[C@H](C)C[NH3+])CC1 ZINC001173095117 975019146 /nfs/dbraw/zinc/01/91/46/975019146.db2.gz YXFKAWZJMWSCEQ-IYXRBSQSSA-N 2 1 242.407 2.251 20 0 BEADMP CCCOC1CCC([N@@H+](C)C[C@@H](C)C[NH3+])CC1 ZINC001173095116 975020345 /nfs/dbraw/zinc/02/03/45/975020345.db2.gz YXFKAWZJMWSCEQ-HSBZDZAISA-N 2 1 242.407 2.251 20 0 BEADMP CC[C@@H]1CC[C@@H](n2c[nH+]cc2CC[NH3+])C1 ZINC001173260445 975109794 /nfs/dbraw/zinc/10/97/94/975109794.db2.gz MRHMJWBNNWIJFE-GHMZBOCLSA-N 2 1 207.321 2.136 20 0 BEADMP CCSC[C@H](C)[N@@H+](CCC[NH3+])C(C)C ZINC001173293184 975169695 /nfs/dbraw/zinc/16/96/95/975169695.db2.gz XZJMREWWZMIYJJ-NSHDSACASA-N 2 1 218.410 2.187 20 0 BEADMP CCSC[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001173311906 975226099 /nfs/dbraw/zinc/22/60/99/975226099.db2.gz QZDQVNBTCOLVNS-CHWSQXEVSA-N 2 1 242.432 2.156 20 0 BEADMP CC[N@H+]1CC[C@H](n2cc(C[NH3+])c3ccccc32)C1 ZINC001173348860 975292309 /nfs/dbraw/zinc/29/23/09/975292309.db2.gz UHZTVIAADQJGJR-ZDUSSCGKSA-N 2 1 243.354 2.367 20 0 BEADMP Cc1cc(C[NH2+][C@@](C)(C[NH3+])C2CC2)cs1 ZINC001333159861 975522823 /nfs/dbraw/zinc/52/28/23/975522823.db2.gz AIFOKWAOKVLAQN-LBPRGKRZSA-N 2 1 224.373 2.274 20 0 BEADMP Cc1[nH+]c2ccccn2c1Nc1cc[nH+]cc1 ZINC001173881696 975919515 /nfs/dbraw/zinc/91/95/15/975919515.db2.gz GAJJTDBHWFVZCL-UHFFFAOYSA-N 2 1 224.267 2.203 20 0 BEADMP Cc1[nH+]cc(Nc2ccc3[nH+]ccn3c2)n1C ZINC001174279239 976428638 /nfs/dbraw/zinc/42/86/38/976428638.db2.gz YWGJOUWBQIIIMV-UHFFFAOYSA-N 2 1 227.271 2.120 20 0 BEADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CC3(C)CC3)C[C@H]2C1 ZINC001335133583 976858558 /nfs/dbraw/zinc/85/85/58/976858558.db2.gz JLWNSWFLYXVDNE-BFHYXJOUSA-N 2 1 236.403 2.449 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2CC[NH2+]C2(C)C)cc1 ZINC001335253649 976901418 /nfs/dbraw/zinc/90/14/18/976901418.db2.gz UWUNLHDDTUZTKL-AWEZNQCLSA-N 2 1 232.371 2.268 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC001574270392 1170024299 /nfs/dbraw/zinc/02/42/99/1170024299.db2.gz FFLRDHMLZWWJSS-ZDUSSCGKSA-N 2 1 244.382 2.072 20 0 BEADMP C[C@@H]1CC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012224 977840536 /nfs/dbraw/zinc/84/05/36/977840536.db2.gz WKMADQLFMQCYER-SECBINFHSA-N 2 1 201.273 2.157 20 0 BEADMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)[C@H]1CCCOC1 ZINC001232017867 977846944 /nfs/dbraw/zinc/84/69/44/977846944.db2.gz AEOUKPGMSPWVFZ-ZDUSSCGKSA-N 2 1 245.326 2.174 20 0 BEADMP C[N@H+]1CCc2ccc(Nc3[nH]cc[nH+]3)cc2C1 ZINC001176090736 977895024 /nfs/dbraw/zinc/89/50/24/977895024.db2.gz PCRJOUKPSUDPJB-UHFFFAOYSA-N 2 1 228.299 2.141 20 0 BEADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccoc3)C[C@H]2C1 ZINC001336889258 978030602 /nfs/dbraw/zinc/03/06/02/978030602.db2.gz QITRCIQNIMPIFD-RBSFLKMASA-N 2 1 248.370 2.442 20 0 BEADMP Cc1cccnc1N1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001277707351 978255942 /nfs/dbraw/zinc/25/59/42/978255942.db2.gz BGIXPJVSFOGTPZ-OKILXGFUSA-N 2 1 245.370 2.168 20 0 BEADMP Cc1ccc[nH+]c1N1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001277707351 978255950 /nfs/dbraw/zinc/25/59/50/978255950.db2.gz BGIXPJVSFOGTPZ-OKILXGFUSA-N 2 1 245.370 2.168 20 0 BEADMP Cc1ccc[nH+]c1N1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001277707351 978255958 /nfs/dbraw/zinc/25/59/58/978255958.db2.gz BGIXPJVSFOGTPZ-OKILXGFUSA-N 2 1 245.370 2.168 20 0 BEADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCC2CC2)CC1 ZINC001206293933 978296372 /nfs/dbraw/zinc/29/63/72/978296372.db2.gz HXUDHZROTPCHCR-CYBMUJFWSA-N 2 1 210.365 2.237 20 0 BEADMP Cc1cc(F)cc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)n1 ZINC001337431701 978333687 /nfs/dbraw/zinc/33/36/87/978333687.db2.gz LURLWJIBIUMBAM-KGYLQXTDSA-N 2 1 249.333 2.281 20 0 BEADMP C[N@H+]1Cc2ccccc2[C@@H]1CNc1cc[nH+]cc1 ZINC001337726465 978472910 /nfs/dbraw/zinc/47/29/10/978472910.db2.gz ZUMHPHDBGZSPCS-HNNXBMFYSA-N 2 1 239.322 2.102 20 0 BEADMP CCCC[C@H](CC)C[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235024916 978956560 /nfs/dbraw/zinc/95/65/60/978956560.db2.gz SNZYEYBAAZIHLR-ZDUSSCGKSA-N 2 1 224.392 2.498 20 0 BEADMP CCCC[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235172293 978990233 /nfs/dbraw/zinc/99/02/33/978990233.db2.gz LEHGQRBFQRMRSP-ZDUSSCGKSA-N 2 1 210.365 2.395 20 0 BEADMP C[C@H]([NH3+])C[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC001235187263 978992539 /nfs/dbraw/zinc/99/25/39/978992539.db2.gz UWKNMVVHYCEMFO-ZDUSSCGKSA-N 2 1 242.366 2.394 20 0 BEADMP CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC001235209628 978995090 /nfs/dbraw/zinc/99/50/90/978995090.db2.gz FFGMLOLVLNMDKO-FICVDOATSA-N 2 1 244.382 2.373 20 0 BEADMP C([C@H]1CCCC[NH2+]1)[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001235222652 978999437 /nfs/dbraw/zinc/99/94/37/978999437.db2.gz MRCNRQCQPCGDJG-MELADBBJSA-N 2 1 222.376 2.251 20 0 BEADMP CCCCc1ccc(C[N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC001235211500 978999915 /nfs/dbraw/zinc/99/99/15/978999915.db2.gz WSNZVCRKRVCWLQ-ZSHCYNCHSA-N 2 1 244.382 2.418 20 0 BEADMP CNc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001235248365 979006856 /nfs/dbraw/zinc/00/68/56/979006856.db2.gz ROAOGIQPRDALPS-UKRRQHHQSA-N 2 1 245.370 2.042 20 0 BEADMP CNc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001235248365 979006864 /nfs/dbraw/zinc/00/68/64/979006864.db2.gz ROAOGIQPRDALPS-UKRRQHHQSA-N 2 1 245.370 2.042 20 0 BEADMP CC1=CC[C@@H](CC[N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)C1(C)C ZINC001235282680 979018186 /nfs/dbraw/zinc/01/81/86/979018186.db2.gz GTSSRNQIZOKSQN-FQUUOJAGSA-N 2 1 234.387 2.258 20 0 BEADMP CCCC[C@H](CC)C[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001235283253 979018430 /nfs/dbraw/zinc/01/84/30/979018430.db2.gz LUBSBRGFOTUZPH-RVMXOQNASA-N 2 1 210.365 2.092 20 0 BEADMP C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCC(C)=C[C@H]2C)C1 ZINC001235829286 979152438 /nfs/dbraw/zinc/15/24/38/979152438.db2.gz POXMSQAFALKAFC-MGPQQGTHSA-N 2 1 222.376 2.273 20 0 BEADMP [NH3+]CCCC[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001235949273 979220326 /nfs/dbraw/zinc/22/03/26/979220326.db2.gz BTICWVVQVUAXAH-ZDUSSCGKSA-N 2 1 236.334 2.354 20 0 BEADMP Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1C ZINC001235960525 979229703 /nfs/dbraw/zinc/22/97/03/979229703.db2.gz YSWKOAAOKBVKSH-MUJYYYPQSA-N 2 1 244.382 2.473 20 0 BEADMP CC(C)[N@@H+](CCCC[NH3+])CC(=O)c1ccccc1 ZINC001235961342 979232805 /nfs/dbraw/zinc/23/28/05/979232805.db2.gz AFFFMCNGDZNUBX-UHFFFAOYSA-N 2 1 248.370 2.319 20 0 BEADMP Cc1cc(C)cc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235977249 979244741 /nfs/dbraw/zinc/24/47/41/979244741.db2.gz GEERZGFKHRQHEH-HUUCEWRRSA-N 2 1 230.355 2.227 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235977249 979244752 /nfs/dbraw/zinc/24/47/52/979244752.db2.gz GEERZGFKHRQHEH-HUUCEWRRSA-N 2 1 230.355 2.227 20 0 BEADMP C[C@H](C[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1)c1ccccc1 ZINC001235976609 979245777 /nfs/dbraw/zinc/24/57/77/979245777.db2.gz AJMBNGWFBNUNCJ-VHDGCEQUSA-N 2 1 230.355 2.213 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235980375 979247832 /nfs/dbraw/zinc/24/78/32/979247832.db2.gz MPUQEIOXTLYYEV-HUUCEWRRSA-N 2 1 230.355 2.227 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235980375 979247839 /nfs/dbraw/zinc/24/78/39/979247839.db2.gz MPUQEIOXTLYYEV-HUUCEWRRSA-N 2 1 230.355 2.227 20 0 BEADMP CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236014665 979303732 /nfs/dbraw/zinc/30/37/32/979303732.db2.gz JEJKGXAEAOLOFV-YNEHKIRRSA-N 2 1 210.365 2.236 20 0 BEADMP CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236014665 979303740 /nfs/dbraw/zinc/30/37/40/979303740.db2.gz JEJKGXAEAOLOFV-YNEHKIRRSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1C[N@H+](C[C@H]([NH3+])Cc2ccccc2)C2(CC2)C1 ZINC001236153673 979414898 /nfs/dbraw/zinc/41/48/98/979414898.db2.gz LMJZFYRQUQMZSD-DZGCQCFKSA-N 2 1 244.382 2.431 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]([NH3+])Cc2ccccc2)C2(CC2)C1 ZINC001236153673 979414906 /nfs/dbraw/zinc/41/49/06/979414906.db2.gz LMJZFYRQUQMZSD-DZGCQCFKSA-N 2 1 244.382 2.431 20 0 BEADMP CCc1cccc(C)c1C[N@@H+]1CCC[C@@H]1CN ZINC001236253370 979471137 /nfs/dbraw/zinc/47/11/37/979471137.db2.gz WANGNBHEUGAYHI-CQSZACIVSA-N 2 1 232.371 2.481 20 0 BEADMP CCc1cccc(C)c1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001236253370 979471144 /nfs/dbraw/zinc/47/11/44/979471144.db2.gz WANGNBHEUGAYHI-CQSZACIVSA-N 2 1 232.371 2.481 20 0 BEADMP CCc1cccc(C)c1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC001236253370 979471149 /nfs/dbraw/zinc/47/11/49/979471149.db2.gz WANGNBHEUGAYHI-CQSZACIVSA-N 2 1 232.371 2.481 20 0 BEADMP CCC[N@@H+](CC(C)C)C[C@@H]1CNC(C)(C)O1 ZINC001236263697 979480743 /nfs/dbraw/zinc/48/07/43/979480743.db2.gz HYUIOYUBQAAQRT-LBPRGKRZSA-N 2 1 228.380 2.079 20 0 BEADMP CCC[N@H+](CC(C)C)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236263697 979480746 /nfs/dbraw/zinc/48/07/46/979480746.db2.gz HYUIOYUBQAAQRT-LBPRGKRZSA-N 2 1 228.380 2.079 20 0 BEADMP CCC[N@@H+](CC(C)C)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236263697 979480749 /nfs/dbraw/zinc/48/07/49/979480749.db2.gz HYUIOYUBQAAQRT-LBPRGKRZSA-N 2 1 228.380 2.079 20 0 BEADMP CCC[N@@H+](CC[C@H]1COC(C)(C)N1)CC(C)C ZINC001236264154 979480814 /nfs/dbraw/zinc/48/08/14/979480814.db2.gz NQGVURMAPCCFPY-ZDUSSCGKSA-N 2 1 242.407 2.469 20 0 BEADMP CCC[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)CC(C)C ZINC001236264154 979480818 /nfs/dbraw/zinc/48/08/18/979480818.db2.gz NQGVURMAPCCFPY-ZDUSSCGKSA-N 2 1 242.407 2.469 20 0 BEADMP CCC[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)CC(C)C ZINC001236264154 979480820 /nfs/dbraw/zinc/48/08/20/979480820.db2.gz NQGVURMAPCCFPY-ZDUSSCGKSA-N 2 1 242.407 2.469 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)C1 ZINC001182250408 979482442 /nfs/dbraw/zinc/48/24/42/979482442.db2.gz JKLBVZIULVVZSE-CBBWQLFWSA-N 2 1 236.403 2.497 20 0 BEADMP C(C1CCCCC1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314141 979526433 /nfs/dbraw/zinc/52/64/33/979526433.db2.gz HJKVWQQEXCDDPJ-GASCZTMLSA-N 2 1 236.403 2.498 20 0 BEADMP C([C@@H]1CCCC[NH2+]1)[N@@H+]1CCCC2(CCC2)C1 ZINC001236322868 979536360 /nfs/dbraw/zinc/53/63/60/979536360.db2.gz UTWIHYVNEUZPPH-ZDUSSCGKSA-N 2 1 222.376 2.395 20 0 BEADMP C([C@@H]1CCCC[NH2+]1)[N@H+]1CCCC2(CCC2)C1 ZINC001236322868 979536366 /nfs/dbraw/zinc/53/63/66/979536366.db2.gz UTWIHYVNEUZPPH-ZDUSSCGKSA-N 2 1 222.376 2.395 20 0 BEADMP Nc1cccc2c1CC[N@@H+](CCCCCC[NH3+])C2 ZINC001236353298 979551518 /nfs/dbraw/zinc/55/15/18/979551518.db2.gz GMKWUOYEJUGMPH-UHFFFAOYSA-N 2 1 247.386 2.146 20 0 BEADMP Cc1cccc(CC[N@H+]2CCC[C@@H]([NH3+])[C@@H]2C)c1 ZINC001236416556 979590761 /nfs/dbraw/zinc/59/07/61/979590761.db2.gz VMYCZXMTANSOKQ-DZGCQCFKSA-N 2 1 232.371 2.349 20 0 BEADMP Cc1cccc(CC[N@@H+]2CCC[C@@H]([NH3+])[C@@H]2C)c1 ZINC001236416556 979590766 /nfs/dbraw/zinc/59/07/66/979590766.db2.gz VMYCZXMTANSOKQ-DZGCQCFKSA-N 2 1 232.371 2.349 20 0 BEADMP Cc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)[nH]1 ZINC001206549563 979681233 /nfs/dbraw/zinc/68/12/33/979681233.db2.gz OTQRCAKXRBYHDH-CQSZACIVSA-N 2 1 235.375 2.274 20 0 BEADMP Cc1ccnc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206549644 979703038 /nfs/dbraw/zinc/70/30/38/979703038.db2.gz PNKCJMQDRJQDAZ-OAHLLOKOSA-N 2 1 247.386 2.341 20 0 BEADMP CS[C@H](C)CC[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205254680 979730789 /nfs/dbraw/zinc/73/07/89/979730789.db2.gz ACGQGHGTXOAZFP-NEPJUHHUSA-N 2 1 230.421 2.331 20 0 BEADMP F[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001183226785 979782449 /nfs/dbraw/zinc/78/24/49/979782449.db2.gz IVADRIVKWAFBBZ-UONOGXRCSA-N 2 1 240.366 2.484 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)ccc1O ZINC001205273060 979831577 /nfs/dbraw/zinc/83/15/77/979831577.db2.gz DDYGHGOLPAJYIB-HNNXBMFYSA-N 2 1 248.370 2.404 20 0 BEADMP CCc1cccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)n1 ZINC001205287936 979929216 /nfs/dbraw/zinc/92/92/16/979929216.db2.gz DUANUYYXFDWFKV-HNNXBMFYSA-N 2 1 247.386 2.347 20 0 BEADMP CNc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205296101 980061532 /nfs/dbraw/zinc/06/15/32/980061532.db2.gz GVWIMXVHHWHEFH-OAHLLOKOSA-N 2 1 247.386 2.432 20 0 BEADMP C[C@@H]1CCC[N@H+]1Cc1cccc2cncn21 ZINC001238104715 980155403 /nfs/dbraw/zinc/15/54/03/980155403.db2.gz YVETUDQNQPEYGO-LLVKDONJSA-N 2 1 215.300 2.319 20 0 BEADMP C[C@@H]1CCC[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238104715 980155408 /nfs/dbraw/zinc/15/54/08/980155408.db2.gz YVETUDQNQPEYGO-LLVKDONJSA-N 2 1 215.300 2.319 20 0 BEADMP C[C@@H]1CCC[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238104715 980155410 /nfs/dbraw/zinc/15/54/10/980155410.db2.gz YVETUDQNQPEYGO-LLVKDONJSA-N 2 1 215.300 2.319 20 0 BEADMP F[C@@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc2c[nH+]cn21 ZINC001238106178 980157412 /nfs/dbraw/zinc/15/74/12/980157412.db2.gz YMLOHUULCDPJIR-LEWSCRJBSA-N 2 1 245.301 2.267 20 0 BEADMP F[C@@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc2c[nH+]cn21 ZINC001238106178 980157414 /nfs/dbraw/zinc/15/74/14/980157414.db2.gz YMLOHUULCDPJIR-LEWSCRJBSA-N 2 1 245.301 2.267 20 0 BEADMP c1[nH+]cn2c1cccc2C[N@@H+]1CCC2(CC2)C1 ZINC001238107697 980157661 /nfs/dbraw/zinc/15/76/61/980157661.db2.gz QJZKCONTGAKDGQ-UHFFFAOYSA-N 2 1 227.311 2.320 20 0 BEADMP c1[nH+]cn2c1cccc2C[N@H+]1CCC2(CC2)C1 ZINC001238107697 980157665 /nfs/dbraw/zinc/15/76/65/980157665.db2.gz QJZKCONTGAKDGQ-UHFFFAOYSA-N 2 1 227.311 2.320 20 0 BEADMP CC1(C)[C@@H]2C[N@@H+](Cc3cccc4c[nH+]cn43)C[C@@H]21 ZINC001238118793 980166013 /nfs/dbraw/zinc/16/60/13/980166013.db2.gz LVODHHBNKACRMV-OKILXGFUSA-N 2 1 241.338 2.422 20 0 BEADMP CC1(C)[C@@H]2C[N@H+](Cc3cccc4c[nH+]cn43)C[C@@H]21 ZINC001238118793 980166014 /nfs/dbraw/zinc/16/60/14/980166014.db2.gz LVODHHBNKACRMV-OKILXGFUSA-N 2 1 241.338 2.422 20 0 BEADMP CC(C)CC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205601377 981162156 /nfs/dbraw/zinc/16/21/56/981162156.db2.gz DYELBMKBBNTSGJ-OLZOCXBDSA-N 2 1 212.381 2.339 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)n1 ZINC001205602651 981166248 /nfs/dbraw/zinc/16/62/48/981166248.db2.gz KXUPRQMEQNUAEM-TZMCWYRMSA-N 2 1 247.386 2.197 20 0 BEADMP Cn1cc[nH+]c1[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC001347784021 981171328 /nfs/dbraw/zinc/17/13/28/981171328.db2.gz KQZCUJXWUUTEED-GFCCVEGCSA-N 2 1 242.326 2.199 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1sccc1OC ZINC001348854214 981461548 /nfs/dbraw/zinc/46/15/48/981461548.db2.gz YUHSFAGRWHSMRI-NXEZZACHSA-N 2 1 242.388 2.405 20 0 BEADMP COC(=[NH2+])c1cccc(C2=CCC[NH2+]C2)c1 ZINC001240668786 981577124 /nfs/dbraw/zinc/57/71/24/981577124.db2.gz BJABSIBIZQMUJR-UHFFFAOYSA-N 2 1 216.284 2.035 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001352110515 982474278 /nfs/dbraw/zinc/47/42/78/982474278.db2.gz COIRXVSKMMVWBF-XLWJZTARSA-N 2 1 236.403 2.305 20 0 BEADMP CC1CC([NH2+]C[C@@H]2CCC(C)(C)C[NH2+]2)C1 ZINC001352177936 982485360 /nfs/dbraw/zinc/48/53/60/982485360.db2.gz HXUYIFAKHZOKMD-CXQJBGSLSA-N 2 1 210.365 2.153 20 0 BEADMP CCC(CC)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001196782448 982493640 /nfs/dbraw/zinc/49/36/40/982493640.db2.gz QWTOIJWORXVLOI-KGLIPLIRSA-N 2 1 224.392 2.306 20 0 BEADMP CCC(CC)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001196782448 982493647 /nfs/dbraw/zinc/49/36/47/982493647.db2.gz QWTOIJWORXVLOI-KGLIPLIRSA-N 2 1 224.392 2.306 20 0 BEADMP CCC(CC)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001196782448 982493650 /nfs/dbraw/zinc/49/36/50/982493650.db2.gz QWTOIJWORXVLOI-KGLIPLIRSA-N 2 1 224.392 2.306 20 0 BEADMP C[NH+]1CCc2ccc(C3=CC[N@@H+](C)CC3)cc2C1 ZINC001241331450 982495001 /nfs/dbraw/zinc/49/50/01/982495001.db2.gz AOQKKDQKFMZREQ-UHFFFAOYSA-N 2 1 242.366 2.393 20 0 BEADMP C[NH+]1CC=C(c2ccc3c(c2)C[N@@H+](C)CC3)CC1 ZINC001241331450 982495004 /nfs/dbraw/zinc/49/50/04/982495004.db2.gz AOQKKDQKFMZREQ-UHFFFAOYSA-N 2 1 242.366 2.393 20 0 BEADMP C[NH+]1CC=C(c2ccc3c(c2)C[N@H+](C)CC3)CC1 ZINC001241331450 982495016 /nfs/dbraw/zinc/49/50/16/982495016.db2.gz AOQKKDQKFMZREQ-UHFFFAOYSA-N 2 1 242.366 2.393 20 0 BEADMP C[NH2+]Cc1ccc(C2=CCC[N@@H+](C)C2)cc1 ZINC001241570985 982821873 /nfs/dbraw/zinc/82/18/73/982821873.db2.gz SMKNXIHJOFEKJR-UHFFFAOYSA-N 2 1 216.328 2.125 20 0 BEADMP C[N@H+]1CCC=C(c2ccc3c(c2)C[NH2+]C3)C1 ZINC001241570650 982823934 /nfs/dbraw/zinc/82/39/34/982823934.db2.gz MZYDMWQRNZDIAE-UHFFFAOYSA-N 2 1 214.312 2.009 20 0 BEADMP C[N@H+]1CCC=C(c2ccc3c(c2)[C@@H]([NH3+])CC3)C1 ZINC001241572509 982827029 /nfs/dbraw/zinc/82/70/29/982827029.db2.gz ZKUCSLLAIKPJHC-HNNXBMFYSA-N 2 1 228.339 2.352 20 0 BEADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)C1CC1 ZINC001199420523 982921862 /nfs/dbraw/zinc/92/18/62/982921862.db2.gz NGKAROALTBFLLJ-NEBZKDRISA-N 2 1 236.403 2.495 20 0 BEADMP C1=CC[C@H](C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000037408317 982942604 /nfs/dbraw/zinc/94/26/04/982942604.db2.gz LKDBLTXRTTVDRA-KBPBESRZSA-N 2 1 234.387 2.417 20 0 BEADMP c1cc(NC[C@H]2CC[N@H+]2C2CCCCC2)cc[nH+]1 ZINC001354032516 983120378 /nfs/dbraw/zinc/12/03/78/983120378.db2.gz XBTBIXVPTOXBRJ-OAHLLOKOSA-N 2 1 245.370 2.322 20 0 BEADMP c1cn2c([nH+]1)CC[N@H+](CC1CCCCC1)CC2 ZINC001201400432 983199208 /nfs/dbraw/zinc/19/92/08/983199208.db2.gz QQRINBWDZXDZKO-UHFFFAOYSA-N 2 1 233.359 2.322 20 0 BEADMP c1cn2c([nH+]1)CC[N@@H+](CC1CCCCC1)CC2 ZINC001201400432 983199211 /nfs/dbraw/zinc/19/92/11/983199211.db2.gz QQRINBWDZXDZKO-UHFFFAOYSA-N 2 1 233.359 2.322 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CC=CCC3)C[C@@H]2C1 ZINC001201426244 983224969 /nfs/dbraw/zinc/22/49/69/983224969.db2.gz GHAVTSMFINVLCL-KFWWJZLASA-N 2 1 234.387 2.226 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CC=CCC3)C[C@@H]2C1 ZINC001201426244 983224971 /nfs/dbraw/zinc/22/49/71/983224971.db2.gz GHAVTSMFINVLCL-KFWWJZLASA-N 2 1 234.387 2.226 20 0 BEADMP CCC[NH+]1C[C@@H]2C[N@H+](CC(C)(C)C)C[C@@H]2C1 ZINC001201441371 983244063 /nfs/dbraw/zinc/24/40/63/983244063.db2.gz CSEHLXVUYCDJJD-BETUJISGSA-N 2 1 224.392 2.306 20 0 BEADMP CCC(CC)C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201536345 983292739 /nfs/dbraw/zinc/29/27/39/983292739.db2.gz YZZLKNAAEJNXBX-ZIAGYGMSSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[N@@H+]1C[C@@H]2C[NH+](C[C@@H](C)CC)C[C@@H]2C1 ZINC001201516847 983315440 /nfs/dbraw/zinc/31/54/40/983315440.db2.gz DMKPZFXLMQXTJJ-MELADBBJSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[NH+]1C[C@@H]2C[N@@H+](C[C@@H](C)CC)C[C@@H]2C1 ZINC001201516847 983315447 /nfs/dbraw/zinc/31/54/47/983315447.db2.gz DMKPZFXLMQXTJJ-MELADBBJSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[NH+]1C[C@@H]2C[N@H+](C[C@@H](C)CC)C[C@@H]2C1 ZINC001201516847 983315453 /nfs/dbraw/zinc/31/54/53/983315453.db2.gz DMKPZFXLMQXTJJ-MELADBBJSA-N 2 1 224.392 2.306 20 0 BEADMP Cc1cc(N)[nH+]cc1-c1cccc(CC[NH3+])c1 ZINC001242090735 983338671 /nfs/dbraw/zinc/33/86/71/983338671.db2.gz SESHFCURKSHLOH-UHFFFAOYSA-N 2 1 227.311 2.140 20 0 BEADMP CN1CCC[C@H]2C[N@@H+](CCc3ccccc3)C[C@H]21 ZINC001201606095 983374372 /nfs/dbraw/zinc/37/43/72/983374372.db2.gz IJZYYHDXBSEGEN-JKSUJKDBSA-N 2 1 244.382 2.255 20 0 BEADMP C[C@@H](CC[NH2+]Cc1ccncc1)[NH+]1CCCCC1 ZINC001201954197 983528063 /nfs/dbraw/zinc/52/80/63/983528063.db2.gz IJXRKIYEQHUOLA-AWEZNQCLSA-N 2 1 247.386 2.436 20 0 BEADMP CNc1ccc(C)cc1C[NH2+]CCC[NH+]1CCC1 ZINC001356049464 983560987 /nfs/dbraw/zinc/56/09/87/983560987.db2.gz JHUXTKLPGPFVCV-UHFFFAOYSA-N 2 1 247.386 2.222 20 0 BEADMP CCC[C@H](O)C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001252799424 983896011 /nfs/dbraw/zinc/89/60/11/983896011.db2.gz RUVOTADGHHSVMH-KBPBESRZSA-N 2 1 242.407 2.002 20 0 BEADMP C/C=C(\C)c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001242758135 984117357 /nfs/dbraw/zinc/11/73/57/984117357.db2.gz GIIVWGJLIGJTHT-XCVCLJGOSA-N 2 1 227.311 2.444 20 0 BEADMP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001574801778 984117834 /nfs/dbraw/zinc/11/78/34/984117834.db2.gz WYSSSESRXOGJKA-BARDWOONSA-N 2 1 234.387 2.251 20 0 BEADMP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001574801778 984117838 /nfs/dbraw/zinc/11/78/38/984117838.db2.gz WYSSSESRXOGJKA-BARDWOONSA-N 2 1 234.387 2.251 20 0 BEADMP C(C1CC1)[N@H+]1CCC2(C[NH+](CC3CCC3)C2)C1 ZINC001202722774 984168082 /nfs/dbraw/zinc/16/80/82/984168082.db2.gz VYCNZUMIHZXVPD-UHFFFAOYSA-N 2 1 234.387 2.204 20 0 BEADMP C(C1CC1)[N@@H+]1CCC2(C[NH+](CC3CCC3)C2)C1 ZINC001202722774 984168084 /nfs/dbraw/zinc/16/80/84/984168084.db2.gz VYCNZUMIHZXVPD-UHFFFAOYSA-N 2 1 234.387 2.204 20 0 BEADMP CCC[C@@H](C[N@@H+](CCC)C1CC[NH2+]CC1)OC ZINC001577357750 984193990 /nfs/dbraw/zinc/19/39/90/984193990.db2.gz IWXZAPRTDCWLEA-AWEZNQCLSA-N 2 1 242.407 2.266 20 0 BEADMP CCOC(=[NH2+])c1cccc(C2=CC[NH2+]CC2)c1 ZINC001240468227 984303363 /nfs/dbraw/zinc/30/33/63/984303363.db2.gz CCODDJDUVSLHGM-UHFFFAOYSA-N 2 1 230.311 2.425 20 0 BEADMP CC[N@H+]1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001275084786 984477399 /nfs/dbraw/zinc/47/73/99/984477399.db2.gz FXRFTTAQPSTZKH-UHFFFAOYSA-N 2 1 244.382 2.486 20 0 BEADMP C[N@H+]1CC[C@H](c2ccc(C3=CC[NH2+]C3)cc2)C1 ZINC001243115483 984587978 /nfs/dbraw/zinc/58/79/78/984587978.db2.gz MGEYQZHAPMWCQZ-HNNXBMFYSA-N 2 1 228.339 2.092 20 0 BEADMP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC001580891709 984623244 /nfs/dbraw/zinc/62/32/44/984623244.db2.gz FFTUGPSODQRQTR-OWYFMNJBSA-N 2 1 242.366 2.273 20 0 BEADMP [NH3+]CCCC[N@H+]1CCC[C@@H]1c1nccs1 ZINC000710598914 984808265 /nfs/dbraw/zinc/80/82/65/984808265.db2.gz WRIGTVYBDQEDRM-SNVBAGLBSA-N 2 1 225.361 2.019 20 0 BEADMP Cl/C=C\C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326801156 984823582 /nfs/dbraw/zinc/82/35/82/984823582.db2.gz UENXWPGAIBKTAE-KXFIGUGUSA-N 2 1 228.767 2.205 20 0 BEADMP CCC(CC)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001257303997 984875776 /nfs/dbraw/zinc/87/57/76/984875776.db2.gz WSKOTUNQQGFPIA-DGCLKSJQSA-N 2 1 210.365 2.059 20 0 BEADMP CCC[C@H](C)CC[C@@H](C)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001257462241 985071709 /nfs/dbraw/zinc/07/17/09/985071709.db2.gz ALXDGPWGNHTAJS-BFHYXJOUSA-N 2 1 242.407 2.251 20 0 BEADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001257462241 985071715 /nfs/dbraw/zinc/07/17/15/985071715.db2.gz ALXDGPWGNHTAJS-BFHYXJOUSA-N 2 1 242.407 2.251 20 0 BEADMP C[N@@H+](Cc1ccc2scnc2c1)C1CC([NH3+])C1 ZINC001578490098 985122043 /nfs/dbraw/zinc/12/20/43/985122043.db2.gz ALHPFFVKQBCLIT-UHFFFAOYSA-N 2 1 247.367 2.218 20 0 BEADMP C[N@H+](CCCCCC[NH3+])Cc1cscn1 ZINC000042869435 985225074 /nfs/dbraw/zinc/22/50/74/985225074.db2.gz XRUBFZXIXPBDJI-UHFFFAOYSA-N 2 1 227.377 2.094 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])Cc1cscn1 ZINC000042869435 985225100 /nfs/dbraw/zinc/22/51/00/985225100.db2.gz XRUBFZXIXPBDJI-UHFFFAOYSA-N 2 1 227.377 2.094 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001578662509 985271569 /nfs/dbraw/zinc/27/15/69/985271569.db2.gz QEJDJMOSYICIPL-CYBMUJFWSA-N 2 1 222.376 2.251 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+]1CC1CC2(CCC2)C1 ZINC001578662509 985271583 /nfs/dbraw/zinc/27/15/83/985271583.db2.gz QEJDJMOSYICIPL-CYBMUJFWSA-N 2 1 222.376 2.251 20 0 BEADMP CSCC[C@H](C)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000156891169 985281251 /nfs/dbraw/zinc/28/12/51/985281251.db2.gz QKRRSZBTHZLPGR-TUAOUCFPSA-N 2 1 230.421 2.187 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CCc2ccccc2C1 ZINC001578687339 985292633 /nfs/dbraw/zinc/29/26/33/985292633.db2.gz JLNAXIPBKQELBK-CQSZACIVSA-N 2 1 246.398 2.333 20 0 BEADMP C[NH2+]CCC[N@@H+](C)CCCCOC(C)(C)C ZINC001578687241 985300263 /nfs/dbraw/zinc/30/02/63/985300263.db2.gz CQVAFKYQCXFBRB-UHFFFAOYSA-N 2 1 230.396 2.123 20 0 BEADMP CO[C@]1(C)CCC[N@@H+](CCC[NH2+]C2CC2)CC1 ZINC001578925086 985527972 /nfs/dbraw/zinc/52/79/72/985527972.db2.gz ZIQXLSUKPJRSHM-CQSZACIVSA-N 2 1 240.391 2.020 20 0 BEADMP COC1(C[NH2+][C@@H](C[NH3+])CC(C)C)CCCCC1 ZINC001578930819 985533958 /nfs/dbraw/zinc/53/39/58/985533958.db2.gz YTBBNAPRCZREKJ-CYBMUJFWSA-N 2 1 242.407 2.299 20 0 BEADMP CN(C)c1cc(/C=C/C2CC[NH2+]CC2)cc[nH+]1 ZINC001243895416 985577075 /nfs/dbraw/zinc/57/70/75/985577075.db2.gz BQGNKIPJIARULU-ONEGZZNKSA-N 2 1 231.343 2.160 20 0 BEADMP CNc1cc(/C=C/C2CC[NH2+]CC2)cc[nH+]1 ZINC001243897432 985582562 /nfs/dbraw/zinc/58/25/62/985582562.db2.gz YOIQYCQIQDGCIG-NSCUHMNNSA-N 2 1 217.316 2.136 20 0 BEADMP CSCC[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001258199962 985605961 /nfs/dbraw/zinc/60/59/61/985605961.db2.gz LXXROOYSMKWHQP-CHWSQXEVSA-N 2 1 244.448 2.450 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c(C)c1 ZINC001579212573 985822152 /nfs/dbraw/zinc/82/21/52/985822152.db2.gz FDDGPZROOOYABB-HNNXBMFYSA-N 2 1 248.370 2.174 20 0 BEADMP CSC1(C[NH2+]C[C@H]2CCC(C)(C)CN2)CC1 ZINC001579364868 985862169 /nfs/dbraw/zinc/86/21/69/985862169.db2.gz DINQEKWEUPELCU-LLVKDONJSA-N 2 1 242.432 2.250 20 0 BEADMP CSC1(C[NH2+]C[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC001579364868 985862175 /nfs/dbraw/zinc/86/21/75/985862175.db2.gz DINQEKWEUPELCU-LLVKDONJSA-N 2 1 242.432 2.250 20 0 BEADMP CS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC001579370309 985863374 /nfs/dbraw/zinc/86/33/74/985863374.db2.gz OLQONOCSKKREDJ-FDYHWXHSSA-N 2 1 242.432 2.391 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ccccc3C2)C[C@H]1[NH3+] ZINC001579439961 985930341 /nfs/dbraw/zinc/93/03/41/985930341.db2.gz FTVLUYALSINRQS-XJKCOSOUSA-N 2 1 244.382 2.071 20 0 BEADMP [NH3+]C[C@@H]1CCCC[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001206606777 985939378 /nfs/dbraw/zinc/93/93/78/985939378.db2.gz SKGZWBPAJLSXAK-BYNSBNAKSA-N 2 1 234.387 2.259 20 0 BEADMP C[C@H](C[NH3+])[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC001579476842 985991175 /nfs/dbraw/zinc/99/11/75/985991175.db2.gz JXLDSUGQZNGGTI-LKSINWNRSA-N 2 1 240.391 2.051 20 0 BEADMP F[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001461679047 986107598 /nfs/dbraw/zinc/10/75/98/986107598.db2.gz UKOXHEIBSBABER-YIYPIFLZSA-N 2 1 240.366 2.484 20 0 BEADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(C)o1 ZINC001579598216 986108354 /nfs/dbraw/zinc/10/83/54/986108354.db2.gz JUCHEUAVCMCREJ-GJZGRUSLSA-N 2 1 248.370 2.457 20 0 BEADMP Cc1cccc(C[C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC001579759494 986212782 /nfs/dbraw/zinc/21/27/82/986212782.db2.gz KRUXKIDHEBUKSW-DRPJVOAASA-N 2 1 244.382 2.409 20 0 BEADMP CC[C@H]1C[N@@H+](CCCCCC[NH3+])C[C@H](C)O1 ZINC000689190736 986384975 /nfs/dbraw/zinc/38/49/75/986384975.db2.gz MUTHBKLIEHYMGQ-STQMWFEESA-N 2 1 228.380 2.005 20 0 BEADMP C[NH2+]Cc1cccc(-c2cc(N)cc[nH+]2)c1F ZINC001244856914 986400909 /nfs/dbraw/zinc/40/09/09/986400909.db2.gz QPDQDZYLTRJVON-UHFFFAOYSA-N 2 1 231.274 2.189 20 0 BEADMP C[NH2+]Cc1cccc(-c2ccc(N)[nH+]c2C)c1F ZINC001244861251 986404767 /nfs/dbraw/zinc/40/47/67/986404767.db2.gz UYHIGXCPTDCGQV-UHFFFAOYSA-N 2 1 245.301 2.498 20 0 BEADMP Fc1ccc(CC[N@H+]2CCC23CC[NH2+]CC3)cc1 ZINC001580030466 986436659 /nfs/dbraw/zinc/43/66/59/986436659.db2.gz NJHVWJZQGDGAEY-UHFFFAOYSA-N 2 1 248.345 2.196 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H]2C(C)C)CC1 ZINC001462690771 986511971 /nfs/dbraw/zinc/51/19/71/986511971.db2.gz XOMLTZWZMYAQQD-QWHCGFSZSA-N 2 1 210.365 2.105 20 0 BEADMP FCC[C@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000689443495 986609421 /nfs/dbraw/zinc/60/94/21/986609421.db2.gz AVGCHCGNLPASQN-ZIAGYGMSSA-N 2 1 242.382 2.448 20 0 BEADMP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1ccc(CF)cc1)C2 ZINC001580157746 986627825 /nfs/dbraw/zinc/62/78/25/986627825.db2.gz LRGJACPGFUAPFV-GJZGRUSLSA-N 2 1 248.345 2.469 20 0 BEADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1ccc(CF)cc1)C2 ZINC001580157746 986627832 /nfs/dbraw/zinc/62/78/32/986627832.db2.gz LRGJACPGFUAPFV-GJZGRUSLSA-N 2 1 248.345 2.469 20 0 BEADMP [NH3+]C[C@H]([NH2+]C[C@@H]1CC=CCC1)C1CCCC1 ZINC001580229225 986653391 /nfs/dbraw/zinc/65/33/91/986653391.db2.gz KJNUVLMNBBJDSN-OCCSQVGLSA-N 2 1 222.376 2.450 20 0 BEADMP [NH3+]C[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)C1CC1 ZINC001580228789 986653715 /nfs/dbraw/zinc/65/37/15/986653715.db2.gz FUVFFINUQLMMOA-QWRGUYRKSA-N 2 1 232.318 2.139 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@H](F)CC2)CC1 ZINC001254517561 986654447 /nfs/dbraw/zinc/65/44/47/986654447.db2.gz VKZZPMXRRGCDMA-STQMWFEESA-N 2 1 228.355 2.295 20 0 BEADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@H](F)CC2)CC1 ZINC001254517561 986654458 /nfs/dbraw/zinc/65/44/58/986654458.db2.gz VKZZPMXRRGCDMA-STQMWFEESA-N 2 1 228.355 2.295 20 0 BEADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@H](F)CC2)CC1 ZINC001254517561 986654467 /nfs/dbraw/zinc/65/44/67/986654467.db2.gz VKZZPMXRRGCDMA-STQMWFEESA-N 2 1 228.355 2.295 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@H](F)CC2)CC1 ZINC001254517559 986654772 /nfs/dbraw/zinc/65/47/72/986654772.db2.gz VKZZPMXRRGCDMA-OLZOCXBDSA-N 2 1 228.355 2.295 20 0 BEADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@H](F)CC2)CC1 ZINC001254517559 986654786 /nfs/dbraw/zinc/65/47/86/986654786.db2.gz VKZZPMXRRGCDMA-OLZOCXBDSA-N 2 1 228.355 2.295 20 0 BEADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@H](F)CC2)CC1 ZINC001254517559 986654799 /nfs/dbraw/zinc/65/47/99/986654799.db2.gz VKZZPMXRRGCDMA-OLZOCXBDSA-N 2 1 228.355 2.295 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2CC[C@](C)(CF)C2)CC1 ZINC001254515984 986655026 /nfs/dbraw/zinc/65/50/26/986655026.db2.gz ICGJJGDNLROAPS-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@](C)(CF)C2)CC1 ZINC001254515984 986655033 /nfs/dbraw/zinc/65/50/33/986655033.db2.gz ICGJJGDNLROAPS-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@@H]([N@H+]2CC[C@](C)(CF)C2)CC1 ZINC001254515984 986655040 /nfs/dbraw/zinc/65/50/40/986655040.db2.gz ICGJJGDNLROAPS-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2CC3(C2)CCCC3)CC1 ZINC001254519779 986659756 /nfs/dbraw/zinc/65/97/56/986659756.db2.gz KIGPHJMSGRGHMU-ZDUSSCGKSA-N 2 1 222.376 2.347 20 0 BEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2Cc1ccc(CF)cc1 ZINC001580253154 986701526 /nfs/dbraw/zinc/70/15/26/986701526.db2.gz IFPFUPXNLWBVMS-HUUCEWRRSA-N 2 1 248.345 2.469 20 0 BEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2Cc1ccc(CF)cc1 ZINC001580253154 986701538 /nfs/dbraw/zinc/70/15/38/986701538.db2.gz IFPFUPXNLWBVMS-HUUCEWRRSA-N 2 1 248.345 2.469 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccn2C(F)F)C1 ZINC001580288356 986730319 /nfs/dbraw/zinc/73/03/19/986730319.db2.gz KBBIJTVEGCXPEP-SNVBAGLBSA-N 2 1 243.301 2.054 20 0 BEADMP C[N@@H+]1CC[C@H](NC(=[NH2+])C2CCCCCC2)C1 ZINC001255416895 986940347 /nfs/dbraw/zinc/94/03/47/986940347.db2.gz BCFOTICTCZPNNC-LBPRGKRZSA-N 2 1 223.364 2.228 20 0 BEADMP C[N@H+]1CC[C@H](NC(=[NH2+])C2CCCCCC2)C1 ZINC001255416895 986940355 /nfs/dbraw/zinc/94/03/55/986940355.db2.gz BCFOTICTCZPNNC-LBPRGKRZSA-N 2 1 223.364 2.228 20 0 BEADMP COC(=[NH2+])c1cccc(-c2ccncc2C[NH3+])c1 ZINC001245562927 986958503 /nfs/dbraw/zinc/95/85/03/986958503.db2.gz SRJXGHKNPMJPOP-UHFFFAOYSA-N 2 1 241.294 2.179 20 0 BEADMP CCCCC[C@@H](O)C[NH2+]C[C@]1(CC)CCC[NH2+]1 ZINC001246018053 987300843 /nfs/dbraw/zinc/30/08/43/987300843.db2.gz LNBRJYDMEFRFIR-KGLIPLIRSA-N 2 1 242.407 2.049 20 0 BEADMP CCCCC[C@H](O)C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246020323 987306416 /nfs/dbraw/zinc/30/64/16/987306416.db2.gz KQOVEPXQNLBHEW-UONOGXRCSA-N 2 1 242.407 2.131 20 0 BEADMP C[N@@H+](C[C@H]1CCCC[NH2+]C1)CC(C)(C)C ZINC000697050644 987345923 /nfs/dbraw/zinc/34/59/23/987345923.db2.gz FAYQBNNNYTVKNS-LBPRGKRZSA-N 2 1 212.381 2.354 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000697052751 987347756 /nfs/dbraw/zinc/34/77/56/987347756.db2.gz QJPMGXYWYNNUTE-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH2+]CC[NH2+][C@@H](Cc1ccccc1)CC(C)C ZINC001246072984 987358779 /nfs/dbraw/zinc/35/87/79/987358779.db2.gz OOVVGFLKQBCGDM-OAHLLOKOSA-N 2 1 234.387 2.453 20 0 BEADMP C[C@H]1CC(F)(F)CC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000697640482 987362271 /nfs/dbraw/zinc/36/22/71/987362271.db2.gz GPYSLCKTCIYFSV-NWDGAFQWSA-N 2 1 246.345 2.496 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CCCCCCCC[NH3+])C[NH2+]1 ZINC001246079528 987372970 /nfs/dbraw/zinc/37/29/70/987372970.db2.gz KPVSASALKWWMFN-KGLIPLIRSA-N 3 1 241.423 2.016 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C(C)(C)c2cccnc2)CC[NH2+]1 ZINC001246082673 987376577 /nfs/dbraw/zinc/37/65/77/987376577.db2.gz RQRLGDWROQUHGD-AAEUAGOBSA-N 2 1 233.359 2.047 20 0 BEADMP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246087700 987391812 /nfs/dbraw/zinc/39/18/12/987391812.db2.gz ZWXHGLQAHREZNT-CYDGBPFRSA-N 2 1 210.365 2.295 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246094090 987401168 /nfs/dbraw/zinc/40/11/68/987401168.db2.gz GSJCXTALRKGPGP-DZGCQCFKSA-N 2 1 232.371 2.268 20 0 BEADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCOc3ccccc32)CC[NH2+]1 ZINC001246115019 987453950 /nfs/dbraw/zinc/45/39/50/987453950.db2.gz QAMLMHVGCZMTFY-OUCADQQQSA-N 2 1 246.354 2.240 20 0 BEADMP CCc1ccc(C[C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@@H]2C)cc1 ZINC001246118406 987465477 /nfs/dbraw/zinc/46/54/77/987465477.db2.gz XPFSYZCKQBNYEI-WOSRLPQWSA-N 2 1 246.398 2.378 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(F)CCC[NH2+]C2)C[C@H]1C ZINC001246183767 987555621 /nfs/dbraw/zinc/55/56/21/987555621.db2.gz SZLUUBCSUMOATO-MQYQWHSLSA-N 2 1 242.382 2.492 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH2+][C@]2(C)CCC[NH2+]C2)C1 ZINC001246187010 987566372 /nfs/dbraw/zinc/56/63/72/987566372.db2.gz FJCIGMSXLIXTRN-JHJVBQTASA-N 2 1 210.365 2.297 20 0 BEADMP CC1CCC([NH2+][C@]2(C)CCC[NH2+]C2)CC1 ZINC001246188535 987570026 /nfs/dbraw/zinc/57/00/26/987570026.db2.gz IICNZGADZBVKGX-WXRRBKDZSA-N 2 1 210.365 2.297 20 0 BEADMP Cc1ccnc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246193187 987583151 /nfs/dbraw/zinc/58/31/51/987583151.db2.gz VCPBLLKVURCNGZ-JHJVBQTASA-N 2 1 233.359 2.181 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2[NH+](C)C)CCO1 ZINC001116465769 987594552 /nfs/dbraw/zinc/59/45/52/987594552.db2.gz XDKLSDWOSHDNKO-YIYPIFLZSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@H](CCCC(C)(C)O)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246227328 987622347 /nfs/dbraw/zinc/62/23/47/987622347.db2.gz BYUJAQJQGBADAR-JHJVBQTASA-N 2 1 242.407 2.046 20 0 BEADMP C[C@@H](CCCC(C)(C)O)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246227323 987623133 /nfs/dbraw/zinc/62/31/33/987623133.db2.gz BYUJAQJQGBADAR-AGIUHOORSA-N 2 1 242.407 2.046 20 0 BEADMP Fc1ccccc1CCC[NH2+][C@H]1CCC[NH2+]C1 ZINC001246231081 987628212 /nfs/dbraw/zinc/62/82/12/987628212.db2.gz RXWINJYHNZOCIY-ZDUSSCGKSA-N 2 1 236.334 2.100 20 0 BEADMP CCNCC[NH2+][C@@H](C)Cc1ccc(CC)cc1 ZINC001246270770 987665430 /nfs/dbraw/zinc/66/54/30/987665430.db2.gz CUWAHSNRDZVDMO-ZDUSSCGKSA-N 2 1 234.387 2.379 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H](C)Cc1ccc(CC)cc1 ZINC001246270770 987665440 /nfs/dbraw/zinc/66/54/40/987665440.db2.gz CUWAHSNRDZVDMO-ZDUSSCGKSA-N 2 1 234.387 2.379 20 0 BEADMP CC[C@H]1CC([NH2+]CCC(C)(C)[NH3+])C[C@H](CC)[NH2+]1 ZINC001246273704 987669668 /nfs/dbraw/zinc/66/96/68/987669668.db2.gz QNYQVQFZGHGTNS-RYUDHWBXSA-N 3 1 241.423 2.013 20 0 BEADMP CC[C@@H]1C[C@@H]([NH2+]CCC(C)(C)[NH3+])C[C@H](CC)[NH2+]1 ZINC001246273659 987670950 /nfs/dbraw/zinc/67/09/50/987670950.db2.gz QNYQVQFZGHGTNS-CLLJXQQHSA-N 3 1 241.423 2.013 20 0 BEADMP CC[C@H]([NH3+])CC[NH2+]C1C[C@@H](CC)[NH2+][C@H](CC)C1 ZINC001246303946 987702247 /nfs/dbraw/zinc/70/22/47/987702247.db2.gz BMKGONXEVGHFFZ-YNEHKIRRSA-N 3 1 241.423 2.013 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC001246330628 987737964 /nfs/dbraw/zinc/73/79/64/987737964.db2.gz WXXBJANRIDGYFV-FDYHWXHSSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CC2(c3ccccc3)CC2)C[NH2+]1 ZINC001246330614 987738122 /nfs/dbraw/zinc/73/81/22/987738122.db2.gz DEWUWCRMFCCISU-UKRRQHHQSA-N 2 1 244.382 2.448 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C2CC3(C2)CC(F)(F)C3)C[NH2+]1 ZINC001246336654 987744902 /nfs/dbraw/zinc/74/49/02/987744902.db2.gz VBTNDAQLYRECOH-NXEZZACHSA-N 2 1 244.329 2.294 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]CCCCCCCCO)C[NH2+]1 ZINC001246345045 987753567 /nfs/dbraw/zinc/75/35/67/987753567.db2.gz VACOVGSNOTYDHN-KBPBESRZSA-N 2 1 242.407 2.049 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]CC2Cc3ccccc3C2)C[NH2+]1 ZINC001246375752 987776447 /nfs/dbraw/zinc/77/64/47/987776447.db2.gz KNQJXEZLICRUOB-LRDDRELGSA-N 2 1 244.382 2.132 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]CC2Cc3ccccc3C2)C[NH2+]1 ZINC001246375751 987777185 /nfs/dbraw/zinc/77/71/85/987777185.db2.gz KNQJXEZLICRUOB-BLLLJJGKSA-N 2 1 244.382 2.132 20 0 BEADMP CCCC1([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CCC1 ZINC001246387010 987779707 /nfs/dbraw/zinc/77/97/07/987779707.db2.gz QVTMWKCQFDXRBT-VXGBXAGGSA-N 2 1 210.365 2.439 20 0 BEADMP Cc1ccc(C(C)(C)C[NH2+][C@H]2CCC[NH2+]C2)nc1 ZINC001246385087 987780606 /nfs/dbraw/zinc/78/06/06/987780606.db2.gz DSIZUKIAHMPTOZ-ZDUSSCGKSA-N 2 1 247.386 2.009 20 0 BEADMP CC(C)CC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CC(C)(C)O1 ZINC001246413874 987792744 /nfs/dbraw/zinc/79/27/44/987792744.db2.gz RPQQBQPCLJQEQQ-CHWSQXEVSA-N 2 1 242.407 2.168 20 0 BEADMP CC(C)(C[NH2+][C@@H]1CCC[NH2+]C1)CC1CC1 ZINC001246430018 987796898 /nfs/dbraw/zinc/79/68/98/987796898.db2.gz DPGSVJBNAPISAL-GFCCVEGCSA-N 2 1 210.365 2.154 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2Cc3ccc(F)cc3C2)C[NH2+]1 ZINC001246455517 987812109 /nfs/dbraw/zinc/81/21/09/987812109.db2.gz XLIGNWKDSXVSMT-VCTAVGKDSA-N 2 1 248.345 2.023 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2Cc3ccc(F)cc3C2)C[NH2+]1 ZINC001246455520 987814201 /nfs/dbraw/zinc/81/42/01/987814201.db2.gz XLIGNWKDSXVSMT-WKPIXPDZSA-N 2 1 248.345 2.023 20 0 BEADMP Fc1ccc(CC2([NH2+][C@H]3CCCNC3)CC2)cc1 ZINC001246463224 987822948 /nfs/dbraw/zinc/82/29/48/987822948.db2.gz DWBLQONVOLALKF-AWEZNQCLSA-N 2 1 248.345 2.242 20 0 BEADMP CCCC[C@H](CCC)[NH2+][C@H]1C[NH2+][C@H](COC)C1 ZINC001246466605 987825961 /nfs/dbraw/zinc/82/59/61/987825961.db2.gz QZFZNUFPDLJBLH-MJBXVCDLSA-N 2 1 242.407 2.312 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCc3ccccc32)C[NH2+]1 ZINC001246466102 987827001 /nfs/dbraw/zinc/82/70/01/987827001.db2.gz LZXXLNQTLBCUIG-SNPRPXQTSA-N 2 1 244.382 2.447 20 0 BEADMP C[C@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC001246490585 987843364 /nfs/dbraw/zinc/84/33/64/987843364.db2.gz DZQHUAVFGRRLQN-RGDJUOJXSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cncc(F)c1 ZINC001246487504 987844376 /nfs/dbraw/zinc/84/43/76/987844376.db2.gz GEZMTEHSAXIKMA-IOCATXQGSA-N 2 1 249.333 2.154 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+]C/C=C/C1CC1 ZINC001117706690 987870868 /nfs/dbraw/zinc/87/08/68/987870868.db2.gz MRVZJERXZRIRIY-ONEGZZNKSA-N 2 1 231.343 2.203 20 0 BEADMP CCC[N@@H+]([C@H](C)CC)[C@H](C)CC[NH2+]C ZINC001246526807 987879952 /nfs/dbraw/zinc/87/99/52/987879952.db2.gz CRIXAFALJCJEMQ-VXGBXAGGSA-N 2 1 200.370 2.495 20 0 BEADMP CCCC[C@H](CC)[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246530789 987887571 /nfs/dbraw/zinc/88/75/71/987887571.db2.gz BSWFZYSFSAJHSK-NWDGAFQWSA-N 2 1 210.365 2.378 20 0 BEADMP CCCC[C@H](CC)[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246530789 987887568 /nfs/dbraw/zinc/88/75/68/987887568.db2.gz BSWFZYSFSAJHSK-NWDGAFQWSA-N 2 1 210.365 2.378 20 0 BEADMP CC1(C)CCC[C@H]([N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)C1 ZINC001246533420 987891192 /nfs/dbraw/zinc/89/11/92/987891192.db2.gz NNBNWQGFGJTMEC-NWDGAFQWSA-N 2 1 222.376 2.378 20 0 BEADMP CC1(C)CCC[C@H]([N@H+]2C[C@@H]([NH3+])C3(CC3)C2)C1 ZINC001246533420 987891196 /nfs/dbraw/zinc/89/11/96/987891196.db2.gz NNBNWQGFGJTMEC-NWDGAFQWSA-N 2 1 222.376 2.378 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)C[C@@H]1C ZINC001246532803 987891689 /nfs/dbraw/zinc/89/16/89/987891689.db2.gz KFPNBJLESLLKJU-MROQNXINSA-N 2 1 222.376 2.234 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]([NH3+])C3(CC3)C2)C[C@@H]1C ZINC001246532803 987891692 /nfs/dbraw/zinc/89/16/92/987891692.db2.gz KFPNBJLESLLKJU-MROQNXINSA-N 2 1 222.376 2.234 20 0 BEADMP CC[C@@H](CC(C)C)[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246534739 987893840 /nfs/dbraw/zinc/89/38/40/987893840.db2.gz SNPIBFDBZLTVLE-NWDGAFQWSA-N 2 1 210.365 2.234 20 0 BEADMP CC[C@@H](CC(C)C)[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246534739 987893841 /nfs/dbraw/zinc/89/38/41/987893841.db2.gz SNPIBFDBZLTVLE-NWDGAFQWSA-N 2 1 210.365 2.234 20 0 BEADMP FC1(F)CC2(C[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1 ZINC001246537197 987898849 /nfs/dbraw/zinc/89/88/49/987898849.db2.gz ZAQVBPFJLJIFCR-ZACCUICWSA-N 2 1 242.313 2.001 20 0 BEADMP CC(C)OCC[C@@H](C)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246538410 987899906 /nfs/dbraw/zinc/89/99/06/987899906.db2.gz BVMVTEZYKXIRQR-CHWSQXEVSA-N 2 1 228.380 2.003 20 0 BEADMP CCCCC[C@H](CCC)[N@@H+]1C[C@@H]([NH3+])C[C@H](O)C1 ZINC001246541592 987912090 /nfs/dbraw/zinc/91/20/90/987912090.db2.gz OYPKEPAQTSKJAV-IHRRRGAJSA-N 2 1 242.407 2.129 20 0 BEADMP CCCCC[C@H](CCC)[N@H+]1C[C@@H]([NH3+])C[C@H](O)C1 ZINC001246541592 987912097 /nfs/dbraw/zinc/91/20/97/987912097.db2.gz OYPKEPAQTSKJAV-IHRRRGAJSA-N 2 1 242.407 2.129 20 0 BEADMP CC(C)COCC[C@H](C)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246541810 987914093 /nfs/dbraw/zinc/91/40/93/987914093.db2.gz NSEKRSUTZPXJSL-KBPBESRZSA-N 2 1 242.407 2.251 20 0 BEADMP C[C@H]1C[N@H+](C2C[C@H](C)C[C@@H](C)C2)C[C@H]1C[NH3+] ZINC001246544698 987918992 /nfs/dbraw/zinc/91/89/92/987918992.db2.gz YCTKIPWPYCQRNU-FVCCEPFGSA-N 2 1 224.392 2.338 20 0 BEADMP CC[C@@H](C)OCC[C@@H](C)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246546420 987924405 /nfs/dbraw/zinc/92/44/05/987924405.db2.gz MVOGMSJDLZNJJX-DGAVXFQQSA-N 2 1 242.407 2.392 20 0 BEADMP CC[C@@H](C)OCC[C@@H](C)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246546420 987924422 /nfs/dbraw/zinc/92/44/22/987924422.db2.gz MVOGMSJDLZNJJX-DGAVXFQQSA-N 2 1 242.407 2.392 20 0 BEADMP C[C@@H](Cc1ccco1)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246547895 987929335 /nfs/dbraw/zinc/92/93/35/987929335.db2.gz CZWUYTFNVDVXFN-GXTWGEPZSA-N 2 1 236.359 2.414 20 0 BEADMP C[C@@H](Cc1cccnc1)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246548274 987933371 /nfs/dbraw/zinc/93/33/71/987933371.db2.gz FIIQWBBCFLKCNA-ZFWWWQNUSA-N 2 1 247.386 2.216 20 0 BEADMP C[C@H](Cc1cccnc1)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246548273 987933902 /nfs/dbraw/zinc/93/39/02/987933902.db2.gz FIIQWBBCFLKCNA-UKRRQHHQSA-N 2 1 247.386 2.216 20 0 BEADMP C[C@@H](Cc1ccco1)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246548163 987934546 /nfs/dbraw/zinc/93/45/46/987934546.db2.gz RSVGVOZYGDUSGC-SRVKXCTJSA-N 2 1 222.332 2.022 20 0 BEADMP C[C@@H](Cc1ccco1)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246548163 987934554 /nfs/dbraw/zinc/93/45/54/987934554.db2.gz RSVGVOZYGDUSGC-SRVKXCTJSA-N 2 1 222.332 2.022 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)C1 ZINC001246549966 987947742 /nfs/dbraw/zinc/94/77/42/987947742.db2.gz IXCDXLRHZATUQO-FRRDWIJNSA-N 2 1 210.365 2.378 20 0 BEADMP CCC[C@@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246553603 987959841 /nfs/dbraw/zinc/95/98/41/987959841.db2.gz ZKEOBOMTQCNKBM-VXGBXAGGSA-N 2 1 216.344 2.328 20 0 BEADMP CC1(C)CC[C@@H]([N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)C1 ZINC001246553310 987960896 /nfs/dbraw/zinc/96/08/96/987960896.db2.gz AUEMDAXSVSUTQF-WDEREUQCSA-N 2 1 246.345 2.481 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)C1 ZINC001246559823 987986616 /nfs/dbraw/zinc/98/66/16/987986616.db2.gz TZIRKJMWUMGSHA-GMTAPVOTSA-N 2 1 232.318 2.091 20 0 BEADMP CCC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246561915 987996448 /nfs/dbraw/zinc/99/64/48/987996448.db2.gz USPCKZLEKUXPRL-AGIUHOORSA-N 2 1 212.381 2.482 20 0 BEADMP CCSC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246563593 988001271 /nfs/dbraw/zinc/00/12/71/988001271.db2.gz RZQZVGUMTJUMJC-AVGNSLFASA-N 2 1 244.448 2.435 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC001118059124 988001738 /nfs/dbraw/zinc/00/17/38/988001738.db2.gz OIULIVFLPVAGGF-VXGBXAGGSA-N 2 1 238.379 2.113 20 0 BEADMP C[C@@H]1CC[N@H+](C2CC[NH2+]CC2)CCC1(F)F ZINC001246563003 988006581 /nfs/dbraw/zinc/00/65/81/988006581.db2.gz BXVLVDZXORPUQI-SNVBAGLBSA-N 2 1 232.318 2.106 20 0 BEADMP C[C@@H]1C[N@H+](C2CCSCC2)CCC[C@@H]1C[NH3+] ZINC001246564962 988017645 /nfs/dbraw/zinc/01/76/45/988017645.db2.gz GWVNVMNDNQAXHU-VXGBXAGGSA-N 2 1 242.432 2.189 20 0 BEADMP Cc1cccc2c1CC[C@@H]([N@H+]1C[C@@H](C)[C@H]([NH3+])C1)C2 ZINC001246568235 988036051 /nfs/dbraw/zinc/03/60/51/988036051.db2.gz QJCJTLUQMLOXAE-XNRPHZJLSA-N 2 1 244.382 2.131 20 0 BEADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)CCC[C@@H]1C[NH3+] ZINC001246571782 988065795 /nfs/dbraw/zinc/06/57/95/988065795.db2.gz WYZLHAYFWBAYGA-XGFWRYKXSA-N 2 1 222.376 2.092 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)CCO1 ZINC001246576615 988080034 /nfs/dbraw/zinc/08/00/34/988080034.db2.gz LTSHHWBNKMLITL-RDBSUJKOSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CCO1 ZINC001246576614 988085688 /nfs/dbraw/zinc/08/56/88/988085688.db2.gz LTSHHWBNKMLITL-MGPQQGTHSA-N 2 1 240.391 2.005 20 0 BEADMP CCSC[C@@H](C)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246582509 988109183 /nfs/dbraw/zinc/10/91/83/988109183.db2.gz NCWSZHBRWQODCA-VXGBXAGGSA-N 2 1 230.421 2.189 20 0 BEADMP C[C@]1(C[NH3+])CCCC[N@H+](C2CCCC2)C1 ZINC001246583927 988126639 /nfs/dbraw/zinc/12/66/39/988126639.db2.gz LSJXYXLYZJMCSO-CYBMUJFWSA-N 2 1 210.365 2.380 20 0 BEADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCCC[C@@H](C[NH3+])C3)C[C@@H]21 ZINC001246584950 988133411 /nfs/dbraw/zinc/13/34/11/988133411.db2.gz XBBWFQLWPIYKRX-XDQVBPFNSA-N 2 1 236.403 2.482 20 0 BEADMP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)C[C@@H]21 ZINC001246588242 988159379 /nfs/dbraw/zinc/15/93/79/988159379.db2.gz PQAQZWUCPQUFHK-UJPOAAIJSA-N 2 1 240.366 2.182 20 0 BEADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)C[C@@H]21 ZINC001246588242 988159389 /nfs/dbraw/zinc/15/93/89/988159389.db2.gz PQAQZWUCPQUFHK-UJPOAAIJSA-N 2 1 240.366 2.182 20 0 BEADMP C[C@@H]1CCC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)C1 ZINC001246589506 988160286 /nfs/dbraw/zinc/16/02/86/988160286.db2.gz SFWYWCVMCRFTGR-MROQNXINSA-N 2 1 228.355 2.326 20 0 BEADMP C[C@@H]1CCC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)C1 ZINC001246589506 988160294 /nfs/dbraw/zinc/16/02/94/988160294.db2.gz SFWYWCVMCRFTGR-MROQNXINSA-N 2 1 228.355 2.326 20 0 BEADMP CCC[C@H](CC)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246595237 988184357 /nfs/dbraw/zinc/18/43/57/988184357.db2.gz XYTCYYQWSOLNHJ-SRVKXCTJSA-N 2 1 216.344 2.326 20 0 BEADMP CCC[C@H](CC)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246595237 988184364 /nfs/dbraw/zinc/18/43/64/988184364.db2.gz XYTCYYQWSOLNHJ-SRVKXCTJSA-N 2 1 216.344 2.326 20 0 BEADMP C[C@H]1C[C@@H]([NH+]2CC3(C[NH2+]C3)C2)CC(C)(C)C1 ZINC001246612079 988245833 /nfs/dbraw/zinc/24/58/33/988245833.db2.gz FKRKSSUGXRYANH-NWDGAFQWSA-N 2 1 222.376 2.106 20 0 BEADMP C1CCC2(C1)CCC[N@@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246616537 988252241 /nfs/dbraw/zinc/25/22/41/988252241.db2.gz WWWPAXQNOIGMRB-ZDUSSCGKSA-N 2 1 222.376 2.395 20 0 BEADMP C1CCC2(C1)CCC[N@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246616537 988252261 /nfs/dbraw/zinc/25/22/61/988252261.db2.gz WWWPAXQNOIGMRB-ZDUSSCGKSA-N 2 1 222.376 2.395 20 0 BEADMP CC[C@H](CC(C)C)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246624425 988277871 /nfs/dbraw/zinc/27/78/71/988277871.db2.gz PMGWBZZPIMGLKA-BFHYXJOUSA-N 2 1 224.392 2.495 20 0 BEADMP CCCC[C@@H](CC)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246627981 988290363 /nfs/dbraw/zinc/29/03/63/988290363.db2.gz BLWVYKGJPCPNQT-FRRDWIJNSA-N 2 1 210.365 2.391 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)C[C@@H](C)C1 ZINC001246637710 988327833 /nfs/dbraw/zinc/32/78/33/988327833.db2.gz ISDJJFXQPGHPOI-MBJXGIAVSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H](CC1CC1)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246640755 988343961 /nfs/dbraw/zinc/34/39/61/988343961.db2.gz CEZCTYCLBNGAET-JSGCOSHPSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)C[C@H]1C ZINC001246642103 988349669 /nfs/dbraw/zinc/34/96/69/988349669.db2.gz ZEYVORMFGNMNBC-RKQHYHRCSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H]1C[C@H]([NH+]2CCC3(CC(F)C3)CC2)CC[NH2+]1 ZINC001246640657 988350558 /nfs/dbraw/zinc/35/05/58/988350558.db2.gz AYQHKPIDDVKHNM-WCQYABFASA-N 2 1 240.366 2.341 20 0 BEADMP Cc1ccc(CC[C@H](C)[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001246642596 988351334 /nfs/dbraw/zinc/35/13/34/988351334.db2.gz CLLGPCTZLTZTSU-BPUTZDHNSA-N 2 1 244.382 2.349 20 0 BEADMP Cc1ccc(CC[C@H](C)[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001246642596 988351345 /nfs/dbraw/zinc/35/13/45/988351345.db2.gz CLLGPCTZLTZTSU-BPUTZDHNSA-N 2 1 244.382 2.349 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]32)C[C@H]1C ZINC001246644882 988355595 /nfs/dbraw/zinc/35/55/95/988355595.db2.gz JKVJDJFCXRXNMX-PEBLQZBPSA-N 2 1 222.376 2.105 20 0 BEADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246644766 988357215 /nfs/dbraw/zinc/35/72/15/988357215.db2.gz LSHODFREEADKBU-CRWXNKLISA-N 2 1 224.392 2.480 20 0 BEADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246644766 988357225 /nfs/dbraw/zinc/35/72/25/988357225.db2.gz LSHODFREEADKBU-CRWXNKLISA-N 2 1 224.392 2.480 20 0 BEADMP CC[C@H](C[C@@H](C)CC)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246648539 988371520 /nfs/dbraw/zinc/37/15/20/988371520.db2.gz XJFPIMBQEARGMU-RVMXOQNASA-N 2 1 210.365 2.234 20 0 BEADMP CC[C@H](C[C@@H](C)CC)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246648539 988371526 /nfs/dbraw/zinc/37/15/26/988371526.db2.gz XJFPIMBQEARGMU-RVMXOQNASA-N 2 1 210.365 2.234 20 0 BEADMP CCC1CCC([N@H+]2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246648411 988374358 /nfs/dbraw/zinc/37/43/58/988374358.db2.gz YJQXKXAJEKQCRM-GNRIBBGQSA-N 2 1 222.376 2.249 20 0 BEADMP CCC[C@@H](C)CC[C@H](C)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246660589 988393909 /nfs/dbraw/zinc/39/39/09/988393909.db2.gz VOMDTPRPHJXJAN-BJJPWKGXSA-N 2 1 224.392 2.480 20 0 BEADMP CCC[C@H](C)CC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246660590 988394209 /nfs/dbraw/zinc/39/42/09/988394209.db2.gz VOMDTPRPHJXJAN-MEBFFEOJSA-N 2 1 224.392 2.480 20 0 BEADMP CCCC[C@H](CC(C)C)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246661858 988396529 /nfs/dbraw/zinc/39/65/29/988396529.db2.gz MHCHQAMZUXPSLY-YIYPIFLZSA-N 2 1 224.392 2.480 20 0 BEADMP CC[C@@H](CC(C)C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246667418 988411032 /nfs/dbraw/zinc/41/10/32/988411032.db2.gz KLKSKHSCSZQZIG-MCIONIFRSA-N 2 1 224.392 2.352 20 0 BEADMP CC1CCC([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC001246668171 988411958 /nfs/dbraw/zinc/41/19/58/988411958.db2.gz WNOJQEZRWJVKGK-FKZOYECMSA-N 2 1 222.376 2.378 20 0 BEADMP CCc1ccc(C[C@@H](C)[N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)cc1 ZINC001246667056 988412149 /nfs/dbraw/zinc/41/21/49/988412149.db2.gz XPUHYORMDQDULT-BQDHKBFISA-N 2 1 244.382 2.069 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2ccccn2)CC[NH2+]1 ZINC001246786833 988465930 /nfs/dbraw/zinc/46/59/30/988465930.db2.gz AIIFANYEGHNOCQ-VNHYZAJKSA-N 2 1 245.370 2.359 20 0 BEADMP CC[C@@H](CC(C)C)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246789225 988468108 /nfs/dbraw/zinc/46/81/08/988468108.db2.gz CFXRUDAGLXEZCE-ZDUSSCGKSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CCCC3(C[NH2+]C3)C2)C[C@H]1C ZINC001246792231 988469808 /nfs/dbraw/zinc/46/98/08/988469808.db2.gz ORBVMOXMLUWNIW-MGPQQGTHSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C(F)F)C2)CC[NH2+]1 ZINC001246810669 988492292 /nfs/dbraw/zinc/49/22/92/988492292.db2.gz YOMQIUPEFALBEJ-GMTAPVOTSA-N 2 1 232.318 2.104 20 0 BEADMP C[NH2+]CC[C@@H](C)[N@@H+](C)CCc1ccc(C)cc1 ZINC001246812989 988494918 /nfs/dbraw/zinc/49/49/18/988494918.db2.gz HBIPLZHKOTYFNS-CQSZACIVSA-N 2 1 234.387 2.467 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+]2Cc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246814949 988497802 /nfs/dbraw/zinc/49/78/02/988497802.db2.gz ASOUQRAXHPLEPX-QMTHXVAHSA-N 2 1 234.318 2.282 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2Cc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246814949 988497808 /nfs/dbraw/zinc/49/78/08/988497808.db2.gz ASOUQRAXHPLEPX-QMTHXVAHSA-N 2 1 234.318 2.282 20 0 BEADMP Fc1cccc([C@H]2CC[N@H+](C3CC[NH2+]CC3)C2)c1 ZINC001246832789 988526066 /nfs/dbraw/zinc/52/60/66/988526066.db2.gz IURXZCAWELLNCH-ZDUSSCGKSA-N 2 1 248.345 2.367 20 0 BEADMP CC[C@@H](CC(C)C)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246840161 988546970 /nfs/dbraw/zinc/54/69/70/988546970.db2.gz FKNVMMLJTKGVPX-CRWXNKLISA-N 2 1 224.392 2.480 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+]2CCCCC23CC3)C[NH2+]1 ZINC001246844628 988559872 /nfs/dbraw/zinc/55/98/72/988559872.db2.gz JVFSXIHXRQAKFT-NEPJUHHUSA-N 2 1 208.349 2.145 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CCCCC23CC3)C[NH2+]1 ZINC001246844628 988559879 /nfs/dbraw/zinc/55/98/79/988559879.db2.gz JVFSXIHXRQAKFT-NEPJUHHUSA-N 2 1 208.349 2.145 20 0 BEADMP CC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246851721 988572947 /nfs/dbraw/zinc/57/29/47/988572947.db2.gz GSXIIWDIUCXZFA-OAGGEKHMSA-N 2 1 244.382 2.431 20 0 BEADMP C[C@H](Cc1ccc(F)cc1)[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246857608 988584983 /nfs/dbraw/zinc/58/49/83/988584983.db2.gz BAIXJBDZWBMPOP-ZLDLUXBVSA-N 2 1 248.345 2.180 20 0 BEADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246857608 988584998 /nfs/dbraw/zinc/58/49/98/988584998.db2.gz BAIXJBDZWBMPOP-ZLDLUXBVSA-N 2 1 248.345 2.180 20 0 BEADMP CC1(C)CCC([N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246859856 988592863 /nfs/dbraw/zinc/59/28/63/988592863.db2.gz KWMLIRXMHSHVCQ-FZMZJTMJSA-N 2 1 222.376 2.378 20 0 BEADMP CCCCC[C@H](C)[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246857567 988595832 /nfs/dbraw/zinc/59/58/32/988595832.db2.gz AZWHTYFKLVCCOG-RWMBFGLXSA-N 2 1 210.365 2.378 20 0 BEADMP [NH3+][C@]12CC[C@H]1C[N@H+](C1CCC3(CC3)CC1)C2 ZINC001246859341 988595981 /nfs/dbraw/zinc/59/59/81/988595981.db2.gz JWNDMUDRULCZPO-FZMZJTMJSA-N 2 1 220.360 2.132 20 0 BEADMP [NH3+][C@@]12C[C@@H]1C[N@@H+](C1CCCCCCC1)C2 ZINC001246871452 988632139 /nfs/dbraw/zinc/63/21/39/988632139.db2.gz QHYULFVWXVLZNV-DGCLKSJQSA-N 2 1 208.349 2.132 20 0 BEADMP [NH3+][C@@]12C[C@@H]1C[N@H+](C1CCCCCCC1)C2 ZINC001246871452 988632154 /nfs/dbraw/zinc/63/21/54/988632154.db2.gz QHYULFVWXVLZNV-DGCLKSJQSA-N 2 1 208.349 2.132 20 0 BEADMP CC[C@H](Cc1ccccc1)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246870905 988632784 /nfs/dbraw/zinc/63/27/84/988632784.db2.gz PWPJNMQDHHPOCD-ZNMIVQPWSA-N 2 1 230.355 2.041 20 0 BEADMP CC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246870905 988632798 /nfs/dbraw/zinc/63/27/98/988632798.db2.gz PWPJNMQDHHPOCD-ZNMIVQPWSA-N 2 1 230.355 2.041 20 0 BEADMP CC1(C)[C@@H]2C[C@H]([N@H+]3C[C@H]4CC[C@@H](C3)[NH2+]C4)C[C@@H]21 ZINC001246870720 988637446 /nfs/dbraw/zinc/63/74/46/988637446.db2.gz ZHROHIUXLPRHGH-YHQUGGNUSA-N 2 1 234.387 2.105 20 0 BEADMP C[C@@H]1C[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)C2(CC2)C1 ZINC001246895959 988671297 /nfs/dbraw/zinc/67/12/97/988671297.db2.gz RKWFQJWLQWPNCK-TUAOUCFPSA-N 2 1 208.349 2.001 20 0 BEADMP c1ccc2c(c1)C[N@H+](C1CC[NH2+]CC1)CCS2 ZINC001246903532 988679600 /nfs/dbraw/zinc/67/96/00/988679600.db2.gz AENVTYRZHLQXCQ-UHFFFAOYSA-N 2 1 248.395 2.346 20 0 BEADMP c1ccc2c(c1)C[N@@H+](C1CC[NH2+]CC1)CCS2 ZINC001246903532 988679607 /nfs/dbraw/zinc/67/96/07/988679607.db2.gz AENVTYRZHLQXCQ-UHFFFAOYSA-N 2 1 248.395 2.346 20 0 BEADMP CCC[C@H](CC)[N@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001246929979 988750527 /nfs/dbraw/zinc/75/05/27/988750527.db2.gz RDPGHCOSIJSYCQ-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[C@H](CC)[N@@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001246929979 988750538 /nfs/dbraw/zinc/75/05/38/988750538.db2.gz RDPGHCOSIJSYCQ-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@H]1CC[C@H]([N@@H+]2CCCC3(CCC3)C2)C[NH2+]1 ZINC001246943520 988776681 /nfs/dbraw/zinc/77/66/81/988776681.db2.gz UNONMYTYQTZIOO-STQMWFEESA-N 2 1 222.376 2.393 20 0 BEADMP C[C@H]1CC[C@H]([N@H+]2CCCC3(CCC3)C2)C[NH2+]1 ZINC001246943520 988776693 /nfs/dbraw/zinc/77/66/93/988776693.db2.gz UNONMYTYQTZIOO-STQMWFEESA-N 2 1 222.376 2.393 20 0 BEADMP CCCCC[C@@H](CC)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246948970 988786814 /nfs/dbraw/zinc/78/68/14/988786814.db2.gz QZBQLRSJQCSGPA-MQYQWHSLSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)[N@@H+](C1CCOCC1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246985039 988816688 /nfs/dbraw/zinc/81/66/88/988816688.db2.gz ORVSEZFBDKAZBN-TZMCWYRMSA-N 2 1 240.391 2.016 20 0 BEADMP CCCC[C@@H](CCC)[N@@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246993024 988825654 /nfs/dbraw/zinc/82/56/54/988825654.db2.gz YOJIBYNPBYNZDD-CHWSQXEVSA-N 2 1 240.391 2.005 20 0 BEADMP CCCC[C@@H](CCC)[N@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246993024 988825658 /nfs/dbraw/zinc/82/56/58/988825658.db2.gz YOJIBYNPBYNZDD-CHWSQXEVSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)C1 ZINC001247016398 988842814 /nfs/dbraw/zinc/84/28/14/988842814.db2.gz USGLBMIEVVDJPB-ZOBORPQBSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)C1 ZINC001247016398 988842816 /nfs/dbraw/zinc/84/28/16/988842816.db2.gz USGLBMIEVVDJPB-ZOBORPQBSA-N 2 1 222.376 2.249 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+]Cc1cc(F)cc(F)c1 ZINC001325267646 989138551 /nfs/dbraw/zinc/13/85/51/989138551.db2.gz NDQAPDSBKFSFGE-SECBINFHSA-N 2 1 228.286 2.052 20 0 BEADMP CSC1CC([NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001119688567 989335013 /nfs/dbraw/zinc/33/50/13/989335013.db2.gz IOZIVYHQMKGLGI-FIYWTHMPSA-N 2 1 242.432 2.343 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC001326474170 989575128 /nfs/dbraw/zinc/57/51/28/989575128.db2.gz TXQYBZIEVIDZOF-VHSXEESVSA-N 2 1 241.766 2.384 20 0 BEADMP CC[N@@H+](CCC[NH2+]C[C@H](C)O)C1CCCCC1 ZINC001120590116 989755653 /nfs/dbraw/zinc/75/56/53/989755653.db2.gz WJEAQGSOCXZYER-ZDUSSCGKSA-N 2 1 242.407 2.002 20 0 BEADMP Cc1[nH+]ccn1CCCN(C)c1cc[nH+]cc1 ZINC001120780316 989877415 /nfs/dbraw/zinc/87/74/15/989877415.db2.gz WNPZDXFMUMQFQO-UHFFFAOYSA-N 2 1 230.315 2.113 20 0 BEADMP Cc1cc(F)cc(N2CC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC001120851613 989923610 /nfs/dbraw/zinc/92/36/10/989923610.db2.gz XWQFHIMAQRLPLX-AWEZNQCLSA-N 2 1 249.333 2.061 20 0 BEADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3ccco3)C[C@@H]2C1 ZINC001258196977 991110878 /nfs/dbraw/zinc/11/08/78/991110878.db2.gz HKEVKUGZDOXDFL-MCIONIFRSA-N 2 1 248.370 2.094 20 0 BEADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3ccco3)C[C@@H]2C1 ZINC001258196978 991111876 /nfs/dbraw/zinc/11/18/76/991111876.db2.gz HKEVKUGZDOXDFL-MELADBBJSA-N 2 1 248.370 2.094 20 0 BEADMP CSCC[C@H](C)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001258223795 991156248 /nfs/dbraw/zinc/15/62/48/991156248.db2.gz FIJPJGUOIDYLBD-YNEHKIRRSA-N 2 1 242.432 2.012 20 0 BEADMP CSC(C)(C)C[C@@H](C)[N@H+]1CCC[C@H]([NH3+])C1 ZINC001258321844 991248633 /nfs/dbraw/zinc/24/86/33/991248633.db2.gz RYQNWXGVYYURQU-MNOVXSKESA-N 2 1 230.421 2.330 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12)[C@@H]1C[C@H]1C1CC1 ZINC001308985544 991252328 /nfs/dbraw/zinc/25/23/28/991252328.db2.gz XPHWJMXSDNKKLN-LIADABEKSA-N 2 1 248.414 2.351 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)CC1(CC)COC1 ZINC001202966673 991350939 /nfs/dbraw/zinc/35/09/39/991350939.db2.gz ZWJRFVUSOWFHDG-UHFFFAOYSA-N 2 1 242.407 2.077 20 0 BEADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H](C)CC1CC1 ZINC001258447296 991390557 /nfs/dbraw/zinc/39/05/57/991390557.db2.gz PHLFLGWFZLORMX-VIFPVBQESA-N 2 1 207.321 2.054 20 0 BEADMP Cc1c[nH+]c(CC[NH3+])n1[C@H](C)CC1CC1 ZINC001258447293 991391608 /nfs/dbraw/zinc/39/16/08/991391608.db2.gz PHLFLGWFZLORMX-SECBINFHSA-N 2 1 207.321 2.054 20 0 BEADMP CC/C=C/CC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001560186461 991406078 /nfs/dbraw/zinc/40/60/78/991406078.db2.gz GXAYAEISPKGERA-IHDARNGBSA-N 2 1 222.376 2.226 20 0 BEADMP CC/C=C/CC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001560186461 991406080 /nfs/dbraw/zinc/40/60/80/991406080.db2.gz GXAYAEISPKGERA-IHDARNGBSA-N 2 1 222.376 2.226 20 0 BEADMP CC/C=C/CC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001560186461 991406084 /nfs/dbraw/zinc/40/60/84/991406084.db2.gz GXAYAEISPKGERA-IHDARNGBSA-N 2 1 222.376 2.226 20 0 BEADMP CCC[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001560238785 991434243 /nfs/dbraw/zinc/43/42/43/991434243.db2.gz XRSRXAMACVDUSM-OKILXGFUSA-N 2 1 222.376 2.204 20 0 BEADMP CCC[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001560238785 991434249 /nfs/dbraw/zinc/43/42/49/991434249.db2.gz XRSRXAMACVDUSM-OKILXGFUSA-N 2 1 222.376 2.204 20 0 BEADMP CCC[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001560238785 991434259 /nfs/dbraw/zinc/43/42/59/991434259.db2.gz XRSRXAMACVDUSM-OKILXGFUSA-N 2 1 222.376 2.204 20 0 BEADMP Cc1[nH+]ccn1-c1ccccc1C[NH+](C)C ZINC001140023687 991489875 /nfs/dbraw/zinc/48/98/75/991489875.db2.gz VMWZPRQVHYQXCR-UHFFFAOYSA-N 2 1 215.300 2.242 20 0 BEADMP CC(C)[N@@H+](CCC[NH3+])[C@H](C)Cc1cccnc1 ZINC001258613068 991537011 /nfs/dbraw/zinc/53/70/11/991537011.db2.gz LBDSTIKMJYAKFR-CYBMUJFWSA-N 2 1 235.375 2.072 20 0 BEADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H](N)C1 ZINC001258648998 991581665 /nfs/dbraw/zinc/58/16/65/991581665.db2.gz ATTBYRYHCAQSLZ-HUUCEWRRSA-N 2 1 232.371 2.431 20 0 BEADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC001258648998 991581686 /nfs/dbraw/zinc/58/16/86/991581686.db2.gz ATTBYRYHCAQSLZ-HUUCEWRRSA-N 2 1 232.371 2.431 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc(C)n1 ZINC001560749840 991588433 /nfs/dbraw/zinc/58/84/33/991588433.db2.gz MZAXGYXYHJCNTF-CQSZACIVSA-N 2 1 247.386 2.082 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc(C)n1 ZINC001560749840 991588445 /nfs/dbraw/zinc/58/84/45/991588445.db2.gz MZAXGYXYHJCNTF-CQSZACIVSA-N 2 1 247.386 2.082 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2(C[NH3+])CC2)CC(C)(C)C1 ZINC001258692980 991627013 /nfs/dbraw/zinc/62/70/13/991627013.db2.gz SMPUVVCZNSZPGC-MNOVXSKESA-N 2 1 210.365 2.282 20 0 BEADMP CCCC[C@H](CCC)[NH2+]CCC[N@@H+](C)CCO ZINC001258759441 991707998 /nfs/dbraw/zinc/70/79/98/991707998.db2.gz SYUPJWRLCCEEEF-AWEZNQCLSA-N 2 1 244.423 2.249 20 0 BEADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CCC[C@H](C)C1 ZINC001258806683 991807445 /nfs/dbraw/zinc/80/74/45/991807445.db2.gz FHNOMVKHGRSTNQ-JQWIXIFHSA-N 2 1 221.348 2.444 20 0 BEADMP C[C@H]1CCC[C@@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001258819998 991840396 /nfs/dbraw/zinc/84/03/96/991840396.db2.gz JEKPQAPIGSKRIY-LJISPDSOSA-N 2 1 236.403 2.449 20 0 BEADMP C[C@@H]1CCC[C@@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001258819996 991840625 /nfs/dbraw/zinc/84/06/25/991840625.db2.gz JEKPQAPIGSKRIY-APIJFGDWSA-N 2 1 236.403 2.449 20 0 BEADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCC[C@H](C)C3)C[C@@H]2C1 ZINC001258830992 991864651 /nfs/dbraw/zinc/86/46/51/991864651.db2.gz XGLJTDHKOBUZRD-BYNSBNAKSA-N 2 1 236.403 2.449 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCC[C@H](C)C3)C[C@@H]2C1 ZINC001258830992 991864659 /nfs/dbraw/zinc/86/46/59/991864659.db2.gz XGLJTDHKOBUZRD-BYNSBNAKSA-N 2 1 236.403 2.449 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCC[C@H](C)C3)C[C@@H]2C1 ZINC001258830992 991864666 /nfs/dbraw/zinc/86/46/66/991864666.db2.gz XGLJTDHKOBUZRD-BYNSBNAKSA-N 2 1 236.403 2.449 20 0 BEADMP CS[C@H]1CC[C@@H]([N@@H+](C)CCn2ccnc2)C1 ZINC001319441761 991870216 /nfs/dbraw/zinc/87/02/16/991870216.db2.gz CSCLBPBDZVKHHN-NEPJUHHUSA-N 2 1 239.388 2.099 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)C(C)(C)CN ZINC001258902740 991892564 /nfs/dbraw/zinc/89/25/64/991892564.db2.gz ZBHMPDKCIXFTCZ-ZDUSSCGKSA-N 2 1 243.439 2.166 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CC1(F)F ZINC001258896993 991892690 /nfs/dbraw/zinc/89/26/90/991892690.db2.gz BKHPCIYVKISNFE-GHMZBOCLSA-N 2 1 234.334 2.494 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCOCC1 ZINC001258906852 991894752 /nfs/dbraw/zinc/89/47/52/991894752.db2.gz BKDQHJAVXPMSKU-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC001258907560 991897784 /nfs/dbraw/zinc/89/77/84/991897784.db2.gz KMVMPSHGQDNYJK-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccncc2)C1 ZINC001319691781 991938850 /nfs/dbraw/zinc/93/88/50/991938850.db2.gz VCKDOFBSUNGTAP-ZIAGYGMSSA-N 2 1 247.386 2.464 20 0 BEADMP CCOC1CC([NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001320130297 992111499 /nfs/dbraw/zinc/11/14/99/992111499.db2.gz CQDSTLIIKMNNNM-PQAZSJQKSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001261370808 992275367 /nfs/dbraw/zinc/27/53/67/992275367.db2.gz VCIGDOPNIOYFCQ-MNOVXSKESA-N 2 1 218.344 2.001 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cccc(O)c1 ZINC001261423743 992291164 /nfs/dbraw/zinc/29/11/64/992291164.db2.gz CTBHTXYKQRGEMU-WDEREUQCSA-N 2 1 222.332 2.041 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@H]1CCCc2cccnc21 ZINC001261424504 992295446 /nfs/dbraw/zinc/29/54/46/992295446.db2.gz WBDITYFJMGRDEC-YPMHNXCESA-N 2 1 233.359 2.047 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H]3C3CC3)[C@@H]2C1 ZINC001474756469 992512712 /nfs/dbraw/zinc/51/27/12/992512712.db2.gz GSWPMXFINWBMHY-JARUQAPTSA-N 2 1 234.387 2.105 20 0 BEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc[nH]1 ZINC001262364340 992860054 /nfs/dbraw/zinc/86/00/54/992860054.db2.gz UBIBHJHQWPDLRW-ODWCKFRGSA-N 2 1 233.359 2.291 20 0 BEADMP C[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C[C@@H]1F ZINC001262365146 992861500 /nfs/dbraw/zinc/86/15/00/992861500.db2.gz SWWBETSVDJVKFP-AAEUAGOBSA-N 2 1 228.355 2.008 20 0 BEADMP C(C1CCC1)[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001574774987 992900646 /nfs/dbraw/zinc/90/06/46/992900646.db2.gz SIWCOGSEKYFQMI-CQSZACIVSA-N 2 1 222.376 2.395 20 0 BEADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC001575423818 993041786 /nfs/dbraw/zinc/04/17/86/993041786.db2.gz YPBYGDFYDFQJPZ-ZIAGYGMSSA-N 2 1 224.392 2.339 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc2scnc2c1 ZINC001575460596 993044801 /nfs/dbraw/zinc/04/48/01/993044801.db2.gz MISMCJSKGXHNBT-NSHDSACASA-N 2 1 249.383 2.369 20 0 BEADMP CC(C)[C@@H]1CC[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC001575508348 993064538 /nfs/dbraw/zinc/06/45/38/993064538.db2.gz SIFOZKDQKXBLQP-QWHCGFSZSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@](C[NH3+])([NH2+]CC12CCC(CC1)C2)C1CC1 ZINC001575975375 993146045 /nfs/dbraw/zinc/14/60/45/993146045.db2.gz LBNMDYQGCJMDFH-HRDQMINSSA-N 2 1 222.376 2.284 20 0 BEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cnc2c(F)cccc2c1 ZINC001576103147 993180972 /nfs/dbraw/zinc/18/09/72/993180972.db2.gz KZKJGIBPAXOGNK-ZJUUUORDSA-N 2 1 247.317 2.199 20 0 BEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)[C@@H]1CCCCO1 ZINC001576232682 993222362 /nfs/dbraw/zinc/22/23/62/993222362.db2.gz BGKZVZJFBSOFQR-UBHSHLNASA-N 2 1 240.391 2.051 20 0 BEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)[C@@H]1CCCCO1 ZINC001576232683 993223842 /nfs/dbraw/zinc/22/38/42/993223842.db2.gz BGKZVZJFBSOFQR-YUTCNCBUSA-N 2 1 240.391 2.051 20 0 BEADMP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@H](C[NH3+])C2)CCO1 ZINC000380075544 993312479 /nfs/dbraw/zinc/31/24/79/993312479.db2.gz RBXVCOGWQJIWAM-MGPQQGTHSA-N 2 1 240.391 2.005 20 0 BEADMP CC[C@@H]1CC[C@@H]([NH2+]CCn2cc[nH+]c2C)C1 ZINC000380814879 993350951 /nfs/dbraw/zinc/35/09/51/993350951.db2.gz KVRKBZARVCBONM-CHWSQXEVSA-N 2 1 221.348 2.360 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)CC[NH2+]1 ZINC001576598521 993364306 /nfs/dbraw/zinc/36/43/06/993364306.db2.gz MGCDWEBVEFKCJJ-AVRGHOLYSA-N 2 1 248.414 2.495 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC12CCC(CC1)C2 ZINC001576608556 993367159 /nfs/dbraw/zinc/36/71/59/993367159.db2.gz UNJIQEHAFMBHIZ-AHPWVWPOSA-N 2 1 222.376 2.378 20 0 BEADMP C[C@@H]1CC[C@@H](C)C1[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000381201656 993380115 /nfs/dbraw/zinc/38/01/15/993380115.db2.gz FJMFIVHKHFQICP-JHJVBQTASA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]1CCC(F)(F)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC001576655735 993383490 /nfs/dbraw/zinc/38/34/90/993383490.db2.gz CMGKHTQEJDDDEB-NSHDSACASA-N 2 1 246.345 2.496 20 0 BEADMP C[C@H]1CCC(F)(F)C[N@H+]1CCC1CC[NH2+]CC1 ZINC001576655735 993383495 /nfs/dbraw/zinc/38/34/95/993383495.db2.gz CMGKHTQEJDDDEB-NSHDSACASA-N 2 1 246.345 2.496 20 0 BEADMP C[C@@H]1CCC[C@H](C)C[N@@H+]1CC1(C[NH3+])CC1 ZINC001576669529 993389308 /nfs/dbraw/zinc/38/93/08/993389308.db2.gz SKZMZDIYHYAIFU-NWDGAFQWSA-N 2 1 210.365 2.236 20 0 BEADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCSC2)[C@H](C)C1 ZINC000381512997 993402687 /nfs/dbraw/zinc/40/26/87/993402687.db2.gz RQHYYBOBDONXDB-UPJWGTAASA-N 2 1 242.432 2.200 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cs1 ZINC000381590772 993407146 /nfs/dbraw/zinc/40/71/46/993407146.db2.gz CZHYKKMXQSEIAM-STQMWFEESA-N 2 1 236.384 2.240 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cs1 ZINC000381590772 993407150 /nfs/dbraw/zinc/40/71/50/993407150.db2.gz CZHYKKMXQSEIAM-STQMWFEESA-N 2 1 236.384 2.240 20 0 BEADMP C[C@@H]1C[N@@H+](CCSC(C)(C)C)CC[C@@H]1C[NH3+] ZINC001576807270 993428670 /nfs/dbraw/zinc/42/86/70/993428670.db2.gz OZUNNOSCAGXQDD-VXGBXAGGSA-N 2 1 244.448 2.435 20 0 BEADMP CC[C@](C)([NH2+]C[C@@H]([NH3+])CC(F)(F)F)C1CC1 ZINC001576961097 993471445 /nfs/dbraw/zinc/47/14/45/993471445.db2.gz RVKRKZPAJCDKDV-UWVGGRQHSA-N 2 1 238.297 2.434 20 0 BEADMP CC[C@H](C)[C@H](C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)OC ZINC001576970362 993475826 /nfs/dbraw/zinc/47/58/26/993475826.db2.gz ILVOTWPZHCWQKE-PDWCTOEPSA-N 2 1 242.407 2.024 20 0 BEADMP CCC(CC)(C[NH3+])[NH2+]CC1CCSCC1 ZINC001577059610 993489053 /nfs/dbraw/zinc/48/90/53/993489053.db2.gz SGFNZNNQMRFNFR-UHFFFAOYSA-N 2 1 230.421 2.237 20 0 BEADMP C[C@@H](Cc1ccco1)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000383652642 993507302 /nfs/dbraw/zinc/50/73/02/993507302.db2.gz DVOCYRQVWNACQJ-STQMWFEESA-N 2 1 236.359 2.271 20 0 BEADMP CC[C@H]1CCC[C@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)C1 ZINC001577246535 993555675 /nfs/dbraw/zinc/55/56/75/993555675.db2.gz DTMIYRKYWPGLMF-ZQDZILKHSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@H]1CCC[C@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)C1 ZINC001577246535 993555685 /nfs/dbraw/zinc/55/56/85/993555685.db2.gz DTMIYRKYWPGLMF-ZQDZILKHSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@@H]1CCCC[C@H]1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001577249154 993560021 /nfs/dbraw/zinc/56/00/21/993560021.db2.gz FMGZQFKGGKKLAF-LXTVHRRPSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@@H]1CCCC[C@H]1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001577249154 993560034 /nfs/dbraw/zinc/56/00/34/993560034.db2.gz FMGZQFKGGKKLAF-LXTVHRRPSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CC[NH2+]C[C@H](C)C2)c1 ZINC000385311769 993655473 /nfs/dbraw/zinc/65/54/73/993655473.db2.gz XDYIMLWBSJSHCU-AWEZNQCLSA-N 2 1 232.371 2.345 20 0 BEADMP Cc1cc(C)cc(C[N@@H+]2CC[NH2+]C[C@H](C)C2)c1 ZINC000385311769 993655481 /nfs/dbraw/zinc/65/54/81/993655481.db2.gz XDYIMLWBSJSHCU-AWEZNQCLSA-N 2 1 232.371 2.345 20 0 BEADMP c1[nH+]cn([C@@H]2CCCOCC2)c1C1CC[NH2+]CC1 ZINC000386344567 993685519 /nfs/dbraw/zinc/68/55/19/993685519.db2.gz OLFXNHXPHQUFNZ-CYBMUJFWSA-N 2 1 249.358 2.092 20 0 BEADMP CCCCC[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000393792380 994006111 /nfs/dbraw/zinc/00/61/11/994006111.db2.gz MQOOBFZIGQGXCY-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCCC(F)(F)CC2)CC[NH2+]1 ZINC000702795775 994050408 /nfs/dbraw/zinc/05/04/08/994050408.db2.gz CHWSYCCGNRHLSC-GHMZBOCLSA-N 2 1 232.318 2.248 20 0 BEADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C1(C)CC1 ZINC000822125226 994418013 /nfs/dbraw/zinc/41/80/13/994418013.db2.gz RYOJCQFGHWWNOL-NEPJUHHUSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC001334389930 994588285 /nfs/dbraw/zinc/58/82/85/994588285.db2.gz KJPHHWZTUQXFDS-DUVNUKRYSA-N 2 1 244.382 2.447 20 0 BEADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]2C1 ZINC001335584613 994819969 /nfs/dbraw/zinc/81/99/69/994819969.db2.gz WXKFMLDIXIFISH-BFHYXJOUSA-N 2 1 222.376 2.059 20 0 BEADMP C[N@H+]1CCN(c2cc[nH+]cc2)CCC1(C)C ZINC001336935347 995124874 /nfs/dbraw/zinc/12/48/74/995124874.db2.gz YGPSVZSKGPVRNT-UHFFFAOYSA-N 2 1 219.332 2.002 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)C1 ZINC001621108270 1170715695 /nfs/dbraw/zinc/71/56/95/1170715695.db2.gz KWWHDXMPDBDEPF-UXXRCYHCSA-N 2 1 236.403 2.495 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCCCC3)[C@@H]2C1 ZINC001621107917 1170717221 /nfs/dbraw/zinc/71/72/21/1170717221.db2.gz CQWDGDSIFGGARO-YUTCNCBUSA-N 2 1 222.376 2.249 20 0 BEADMP CC[NH+]1CCC(C[NH2+]C2(C(F)F)CC2)CC1 ZINC001621281052 1170761782 /nfs/dbraw/zinc/76/17/82/1170761782.db2.gz PQLLZBMDAJJAHO-UHFFFAOYSA-N 2 1 232.318 2.106 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@H]3CCC34CCC4)[C@@H]2C1 ZINC001621570234 1170857126 /nfs/dbraw/zinc/85/71/26/1170857126.db2.gz NZOXIQQEMNPGEH-CRWXNKLISA-N 2 1 234.387 2.249 20 0 BEADMP CCCC[C@@H](CC)C[N@H+](C)CC[NH2+]C ZINC000043455296 1171291611 /nfs/dbraw/zinc/29/16/11/1171291611.db2.gz QXSAIAWSACGHFN-GFCCVEGCSA-N 2 1 200.370 2.354 20 0 BEADMP CCCC[C@@H](CC)C[N@@H+](C)CC[NH2+]C ZINC000043455296 1171291619 /nfs/dbraw/zinc/29/16/19/1171291619.db2.gz QXSAIAWSACGHFN-GFCCVEGCSA-N 2 1 200.370 2.354 20 0 BEADMP Cc1ccc[nH+]c1NCCCC[NH+](C)C ZINC000051041196 1171868074 /nfs/dbraw/zinc/86/80/74/1171868074.db2.gz QTXLQTXRDKOVCQ-UHFFFAOYSA-N 2 1 207.321 2.144 20 0 BEADMP C[NH2+]CC[C@H](C)[N@@H+](C)CC1CCCCC1 ZINC000052346744 1171956656 /nfs/dbraw/zinc/95/66/56/1171956656.db2.gz SQWUMYCYNZMVLN-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1cccc(C)c1 ZINC000052345989 1171958087 /nfs/dbraw/zinc/95/80/87/1171958087.db2.gz WWXUNQNACWDOLK-CYBMUJFWSA-N 2 1 220.360 2.425 20 0 BEADMP C[C@H](c1ccccc1F)[N@H+](C)CCC[NH3+] ZINC000062013145 398139240 /nfs/dbraw/zinc/13/92/40/398139240.db2.gz SYTULWDJYYBUPP-SNVBAGLBSA-N 2 1 210.296 2.167 20 0 BEADMP C[C@H](c1ccccc1F)[N@@H+](C)CCC[NH3+] ZINC000062013145 398139245 /nfs/dbraw/zinc/13/92/45/398139245.db2.gz SYTULWDJYYBUPP-SNVBAGLBSA-N 2 1 210.296 2.167 20 0 BEADMP Cn1cncc1CCC[N@@H+](C)Cc1ccco1 ZINC000572420026 398142302 /nfs/dbraw/zinc/14/23/02/398142302.db2.gz GQXQNPNSWSQCMD-UHFFFAOYSA-N 2 1 233.315 2.078 20 0 BEADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccco1 ZINC000572420026 398142309 /nfs/dbraw/zinc/14/23/09/398142309.db2.gz GQXQNPNSWSQCMD-UHFFFAOYSA-N 2 1 233.315 2.078 20 0 BEADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CCC1 ZINC000322377799 343977689 /nfs/dbraw/zinc/97/76/89/343977689.db2.gz KZXFWZWUQQDDDX-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CCC1 ZINC000322377796 343977905 /nfs/dbraw/zinc/97/79/05/343977905.db2.gz KZXFWZWUQQDDDX-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP c1cn(CC[N@H+]2CCC[C@@H]2C2CCC2)cn1 ZINC000161613198 349476511 /nfs/dbraw/zinc/47/65/11/349476511.db2.gz DNYPKBGLVNXRAQ-CYBMUJFWSA-N 2 1 219.332 2.148 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1F ZINC000227053991 178002065 /nfs/dbraw/zinc/00/20/65/178002065.db2.gz KRIKQQXKAZOIGR-SMDDNHRTSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1F ZINC000227053991 178002066 /nfs/dbraw/zinc/00/20/66/178002066.db2.gz KRIKQQXKAZOIGR-SMDDNHRTSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1F ZINC000194536027 178005586 /nfs/dbraw/zinc/00/55/86/178005586.db2.gz AWZPPNDCHHCYKZ-OKILXGFUSA-N 2 1 248.345 2.128 20 0 BEADMP Cc1cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cs1 ZINC000296661625 178006525 /nfs/dbraw/zinc/00/65/25/178006525.db2.gz FEFSWFVLMFLCPT-BETUJISGSA-N 2 1 236.384 2.050 20 0 BEADMP Cc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cs1 ZINC000296661625 178006527 /nfs/dbraw/zinc/00/65/27/178006527.db2.gz FEFSWFVLMFLCPT-BETUJISGSA-N 2 1 236.384 2.050 20 0 BEADMP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cs1 ZINC000296661625 178006528 /nfs/dbraw/zinc/00/65/28/178006528.db2.gz FEFSWFVLMFLCPT-BETUJISGSA-N 2 1 236.384 2.050 20 0 BEADMP Cc1cc(C)cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])c1 ZINC000415012710 398153579 /nfs/dbraw/zinc/15/35/79/398153579.db2.gz UCNQQAFBRVAECK-NEPJUHHUSA-N 2 1 206.333 2.129 20 0 BEADMP Cc1cc(C[NH2+]C2CC[NH+](C)CC2)cs1 ZINC000285973867 178018777 /nfs/dbraw/zinc/01/87/77/178018777.db2.gz RQWQBLYLRQYTIM-UHFFFAOYSA-N 2 1 224.373 2.240 20 0 BEADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000336233903 178040060 /nfs/dbraw/zinc/04/00/60/178040060.db2.gz YZRJQVRQDDPFOM-GJZGRUSLSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000336233903 178040062 /nfs/dbraw/zinc/04/00/62/178040062.db2.gz YZRJQVRQDDPFOM-GJZGRUSLSA-N 2 1 245.370 2.106 20 0 BEADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)CC1CC1 ZINC000161840515 349511840 /nfs/dbraw/zinc/51/18/40/349511840.db2.gz XMMZLKPHQIELNE-CYBMUJFWSA-N 2 1 210.365 2.203 20 0 BEADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)CC1CC1 ZINC000161840515 349511843 /nfs/dbraw/zinc/51/18/43/349511843.db2.gz XMMZLKPHQIELNE-CYBMUJFWSA-N 2 1 210.365 2.203 20 0 BEADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)CC1CC1 ZINC000161840515 349511845 /nfs/dbraw/zinc/51/18/45/349511845.db2.gz XMMZLKPHQIELNE-CYBMUJFWSA-N 2 1 210.365 2.203 20 0 BEADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094339195 178085901 /nfs/dbraw/zinc/08/59/01/178085901.db2.gz LGODTSYLCZHEQN-RISCZKNCSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094339195 178085902 /nfs/dbraw/zinc/08/59/02/178085902.db2.gz LGODTSYLCZHEQN-RISCZKNCSA-N 2 1 236.334 2.303 20 0 BEADMP CCCN(c1cc[nH+]cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000086839904 398192106 /nfs/dbraw/zinc/19/21/06/398192106.db2.gz GIKRDSVYNRXROK-SNVBAGLBSA-N 2 1 239.750 2.313 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCCN(c2cc[nH+]cc2Cl)C1 ZINC000086840017 398192218 /nfs/dbraw/zinc/19/22/18/398192218.db2.gz TWGIRNPLCNUOQN-NXEZZACHSA-N 2 1 239.750 2.299 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCCN(c2cc[nH+]cc2Cl)C1 ZINC000086840016 398192300 /nfs/dbraw/zinc/19/23/00/398192300.db2.gz TWGIRNPLCNUOQN-VHSXEESVSA-N 2 1 239.750 2.299 20 0 BEADMP CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336696016 398194151 /nfs/dbraw/zinc/19/41/51/398194151.db2.gz LWLTWNFHCPMIDC-QNWHQSFQSA-N 2 1 240.416 2.097 20 0 BEADMP Cc1cc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc[nH+]1 ZINC000292649740 178119639 /nfs/dbraw/zinc/11/96/39/178119639.db2.gz BNJPEFNVWDWTGU-HNNXBMFYSA-N 2 1 245.370 2.312 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@H]1CCSC1 ZINC000162780586 538924953 /nfs/dbraw/zinc/92/49/53/538924953.db2.gz UNEONUPVDJZLPO-NWDGAFQWSA-N 2 1 230.421 2.059 20 0 BEADMP Cc1cc(NC2CC[NH+](C3CC3)CC2)nc(C)[nH+]1 ZINC000298168138 178154199 /nfs/dbraw/zinc/15/41/99/178154199.db2.gz XNNPLGHUHRSJJN-UHFFFAOYSA-N 2 1 246.358 2.132 20 0 BEADMP C[C@@](C[NH3+])([NH2+]CCCc1ccccc1)C1CC1 ZINC000430573537 398229482 /nfs/dbraw/zinc/22/94/82/398229482.db2.gz RNSYKXIWAHCOFB-HNNXBMFYSA-N 2 1 232.371 2.336 20 0 BEADMP Cc1cc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc[nH+]1 ZINC000290737957 178191008 /nfs/dbraw/zinc/19/10/08/178191008.db2.gz GUKZSDXCUSNMJS-YPMHNXCESA-N 2 1 231.343 2.427 20 0 BEADMP CCC(CC)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000336673801 168351805 /nfs/dbraw/zinc/35/18/05/168351805.db2.gz GUGATNDWGMWRTQ-RWMBFGLXSA-N 2 1 210.365 2.092 20 0 BEADMP CCC(CC)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000374903461 168352406 /nfs/dbraw/zinc/35/24/06/168352406.db2.gz PYRFQYSTDMXABJ-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000374903461 168352408 /nfs/dbraw/zinc/35/24/08/168352408.db2.gz PYRFQYSTDMXABJ-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP CCC(CC)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000374903461 168352410 /nfs/dbraw/zinc/35/24/10/168352410.db2.gz PYRFQYSTDMXABJ-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP CCC(CC)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000374903461 168352412 /nfs/dbraw/zinc/35/24/12/168352412.db2.gz PYRFQYSTDMXABJ-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP CCC(CC)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000336673803 168354004 /nfs/dbraw/zinc/35/40/04/168354004.db2.gz GUGATNDWGMWRTQ-XQQFMLRXSA-N 2 1 210.365 2.092 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCC2)c(C)n1 ZINC000643517894 398231095 /nfs/dbraw/zinc/23/10/95/398231095.db2.gz UTBQUCDMWYBJRM-LLVKDONJSA-N 2 1 233.359 2.230 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]CC2([NH3+])CCC2)c(C)n1 ZINC000643517895 398231138 /nfs/dbraw/zinc/23/11/38/398231138.db2.gz UTBQUCDMWYBJRM-NSHDSACASA-N 2 1 233.359 2.230 20 0 BEADMP CC[C@H]1CCN(CC[N@H+]2CC[C@H](CC)C2)C1 ZINC000125166059 323000771 /nfs/dbraw/zinc/00/07/71/323000771.db2.gz QEYCRPLYBKNDRI-KBPBESRZSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)C(C)(C)C ZINC000381595575 398265345 /nfs/dbraw/zinc/26/53/45/398265345.db2.gz JRISTSNIMWOORZ-AGIUHOORSA-N 2 1 224.392 2.352 20 0 BEADMP C[N@H+](C[C@H]1CCCCC1(F)F)[C@@H](C[NH3+])C1CC1 ZINC000381587527 398265240 /nfs/dbraw/zinc/26/52/40/398265240.db2.gz CWVOJYOMJVZYOA-NEPJUHHUSA-N 2 1 246.345 2.481 20 0 BEADMP C[N@@H+](C[C@H]1CCCCC1(F)F)[C@@H](C[NH3+])C1CC1 ZINC000381587527 398265242 /nfs/dbraw/zinc/26/52/42/398265242.db2.gz CWVOJYOMJVZYOA-NEPJUHHUSA-N 2 1 246.345 2.481 20 0 BEADMP CC(C)[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000166562457 361851693 /nfs/dbraw/zinc/85/16/93/361851693.db2.gz FBUSIUYPLXFZER-GFCCVEGCSA-N 2 1 200.370 2.351 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H]1C ZINC000165715111 361844069 /nfs/dbraw/zinc/84/40/69/361844069.db2.gz CERARHALVOMXKN-OLZOCXBDSA-N 2 1 212.381 2.495 20 0 BEADMP CCC(CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000026513925 168386612 /nfs/dbraw/zinc/38/66/12/168386612.db2.gz YCGMGHQKLDRPCR-YHWZYXNKSA-N 2 1 210.365 2.390 20 0 BEADMP CCC(CC)[NH2+]CCCn1cc[nH+]c1C ZINC000336729469 168386625 /nfs/dbraw/zinc/38/66/25/168386625.db2.gz JAEZKKCGUCAQNX-UHFFFAOYSA-N 2 1 209.337 2.360 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1C[C@@H]1C ZINC000321136982 342751276 /nfs/dbraw/zinc/75/12/76/342751276.db2.gz URTIDVHFBVBIRZ-FQUUOJAGSA-N 2 1 224.392 2.352 20 0 BEADMP CCC(CC)[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000053485970 168388660 /nfs/dbraw/zinc/38/86/60/168388660.db2.gz AGQMRVFPHVAFOM-LLVKDONJSA-N 2 1 200.370 2.495 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000382309833 361895226 /nfs/dbraw/zinc/89/52/26/361895226.db2.gz ICPILYPPTRBBKM-SRVKXCTJSA-N 2 1 246.345 2.481 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000045690496 538992839 /nfs/dbraw/zinc/99/28/39/538992839.db2.gz NKJAQYJUORWCSY-VXGBXAGGSA-N 2 1 200.370 2.351 20 0 BEADMP FC1(F)CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000383928828 539012351 /nfs/dbraw/zinc/01/23/51/539012351.db2.gz BHCOFLJHKWKGTD-GRYCIOLGSA-N 2 1 244.329 2.391 20 0 BEADMP C/C=C/C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000624199680 342843290 /nfs/dbraw/zinc/84/32/90/342843290.db2.gz VLZLVMVKNOOHOW-ZUEAMBOYSA-N 2 1 208.349 2.025 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC(C)C2)C1 ZINC000232830220 342886573 /nfs/dbraw/zinc/88/65/73/342886573.db2.gz ZEDGBAYOCCVKCL-CPCZMJQVSA-N 2 1 210.365 2.105 20 0 BEADMP Cc1ccsc1C[NH2+]C1CC[NH+](C)CC1 ZINC000037248632 342925578 /nfs/dbraw/zinc/92/55/78/342925578.db2.gz UOVWPTXKNHAJFO-UHFFFAOYSA-N 2 1 224.373 2.240 20 0 BEADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccn(C)c2)CC1 ZINC000271056167 187336184 /nfs/dbraw/zinc/33/61/84/187336184.db2.gz ZNXVYIAJBARJRO-UHFFFAOYSA-N 2 1 249.402 2.330 20 0 BEADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccn(C)c2)CC1 ZINC000271056167 187336185 /nfs/dbraw/zinc/33/61/85/187336185.db2.gz ZNXVYIAJBARJRO-UHFFFAOYSA-N 2 1 249.402 2.330 20 0 BEADMP COCCC[C@H](C)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000177844380 536665356 /nfs/dbraw/zinc/66/53/56/536665356.db2.gz BVGMJBJDKGDWOH-ZDUSSCGKSA-N 2 1 242.407 2.266 20 0 BEADMP COCCC[C@H](C)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000177844380 536665362 /nfs/dbraw/zinc/66/53/62/536665362.db2.gz BVGMJBJDKGDWOH-ZDUSSCGKSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000516926584 259334318 /nfs/dbraw/zinc/33/43/18/259334318.db2.gz HQMSDSSWVXQXIP-NDBYEHHHSA-N 2 1 228.355 2.197 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000516926584 259334319 /nfs/dbraw/zinc/33/43/19/259334319.db2.gz HQMSDSSWVXQXIP-NDBYEHHHSA-N 2 1 228.355 2.197 20 0 BEADMP Fc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000020128910 342970762 /nfs/dbraw/zinc/97/07/62/342970762.db2.gz YSERQUWQGFMOML-UHFFFAOYSA-N 2 1 236.334 2.401 20 0 BEADMP CCc1cc(NCC[N@@H+](C)C2CC2)cc[nH+]1 ZINC000307769264 529555041 /nfs/dbraw/zinc/55/50/41/529555041.db2.gz KPPCGTYFCZYWHM-UHFFFAOYSA-N 2 1 219.332 2.150 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](C(F)F)C1 ZINC000678083524 488193977 /nfs/dbraw/zinc/19/39/77/488193977.db2.gz KHYQTPMZQLJZIG-MNOVXSKESA-N 2 1 232.318 2.058 20 0 BEADMP CC(C)(C[NH2+]Cc1cccnc1)C[NH+]1CCCC1 ZINC000360180692 187217488 /nfs/dbraw/zinc/21/74/88/187217488.db2.gz MMGPBYGVETXKPX-UHFFFAOYSA-N 2 1 247.386 2.293 20 0 BEADMP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000382789850 343020068 /nfs/dbraw/zinc/02/00/68/343020068.db2.gz OJCXLXBSJPKAGI-QWHCGFSZSA-N 2 1 210.365 2.297 20 0 BEADMP C[N@H+](CC[NH2+]CC1(C)CC1)C1CCCC1 ZINC000308965107 259340884 /nfs/dbraw/zinc/34/08/84/259340884.db2.gz UWQSCKLHKBCCQP-UHFFFAOYSA-N 2 1 210.365 2.251 20 0 BEADMP C[N@@H+](CC[NH2+]CC1(C)CC1)C1CCCC1 ZINC000308965107 259340886 /nfs/dbraw/zinc/34/08/86/259340886.db2.gz UWQSCKLHKBCCQP-UHFFFAOYSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)CC[NH2+]1 ZINC000235369661 343011405 /nfs/dbraw/zinc/01/14/05/343011405.db2.gz WFBPDXIQSQSZEK-FVCCEPFGSA-N 2 1 242.432 2.200 20 0 BEADMP C[C@@H](C[N@@H+](C)CCOCC[NH3+])C1CCCCC1 ZINC000384075630 343037928 /nfs/dbraw/zinc/03/79/28/343037928.db2.gz WIJHAECBFDDVHY-ZDUSSCGKSA-N 2 1 242.407 2.110 20 0 BEADMP CC[N@@H+](Cc1ccc(-n2ccnc2)nc1)C1CC1 ZINC000177254020 346925029 /nfs/dbraw/zinc/92/50/29/346925029.db2.gz LOMCNVVQPXEQKS-UHFFFAOYSA-N 2 1 242.326 2.252 20 0 BEADMP COc1ccc(C)cc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000124635247 343163140 /nfs/dbraw/zinc/16/31/40/343163140.db2.gz IYMXFLWAFJIWBC-JSGCOSHPSA-N 2 1 248.370 2.315 20 0 BEADMP COc1ccc(C)cc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000124635247 343163142 /nfs/dbraw/zinc/16/31/42/343163142.db2.gz IYMXFLWAFJIWBC-JSGCOSHPSA-N 2 1 248.370 2.315 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000309209273 136274955 /nfs/dbraw/zinc/27/49/55/136274955.db2.gz SOUJZLGOIYEMLP-JHJVBQTASA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1C[C@@H]1CN1CCC2(CCC[N@H+]2C)CC1 ZINC000625291165 343223161 /nfs/dbraw/zinc/22/31/61/343223161.db2.gz XSLNPLORXUHXER-CHWSQXEVSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000625291165 343223162 /nfs/dbraw/zinc/22/31/62/343223162.db2.gz XSLNPLORXUHXER-CHWSQXEVSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000625291165 343223163 /nfs/dbraw/zinc/22/31/63/343223163.db2.gz XSLNPLORXUHXER-CHWSQXEVSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000082491018 136276659 /nfs/dbraw/zinc/27/66/59/136276659.db2.gz RBZPORVMSMJMKQ-QWHCGFSZSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)CC1 ZINC000082489537 136276744 /nfs/dbraw/zinc/27/67/44/136276744.db2.gz YCBVULRWRVEVFE-ZDUSSCGKSA-N 2 1 224.392 2.498 20 0 BEADMP Cc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1F ZINC000401759795 343219371 /nfs/dbraw/zinc/21/93/71/343219371.db2.gz BGAYMPNWYKFLBL-UHFFFAOYSA-N 2 1 247.317 2.200 20 0 BEADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)C1CCC1 ZINC000322427086 259356549 /nfs/dbraw/zinc/35/65/49/259356549.db2.gz AVCLLHJBGMKESV-CYBMUJFWSA-N 2 1 221.348 2.360 20 0 BEADMP C[NH2+]CCC[N@H+](C)Cc1sccc1C ZINC000087472152 136281452 /nfs/dbraw/zinc/28/14/52/136281452.db2.gz WTCFFAJYQAXPLY-UHFFFAOYSA-N 2 1 212.362 2.098 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1sccc1C ZINC000087472152 136281453 /nfs/dbraw/zinc/28/14/53/136281453.db2.gz WTCFFAJYQAXPLY-UHFFFAOYSA-N 2 1 212.362 2.098 20 0 BEADMP Cc1ccoc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000335608973 136298537 /nfs/dbraw/zinc/29/85/37/136298537.db2.gz FDABYPHFOOCINJ-ZYHUDNBSSA-N 2 1 222.332 2.066 20 0 BEADMP Cc1c[nH+]ccc1NCC[N@H+](C)C(C)C ZINC000070047378 343297405 /nfs/dbraw/zinc/29/74/05/343297405.db2.gz ALBXCMNXKPTZSO-UHFFFAOYSA-N 2 1 207.321 2.142 20 0 BEADMP CCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)C(C)(C)C ZINC000584061423 343309848 /nfs/dbraw/zinc/30/98/48/343309848.db2.gz KUHSWGITAFUXMT-QWHCGFSZSA-N 2 1 244.423 2.103 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000335612952 136295744 /nfs/dbraw/zinc/29/57/44/136295744.db2.gz LUXQVRQDYSSYJQ-HBIQZDMRSA-N 2 1 246.345 2.398 20 0 BEADMP Cc1ccc(C[N@@H+]2CCC[NH2+]CC2)c(C)c1 ZINC000038086915 343369635 /nfs/dbraw/zinc/36/96/35/343369635.db2.gz XGHXUVCZBYXXFE-UHFFFAOYSA-N 2 1 218.344 2.099 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[NH2+]CC2)c(C)c1 ZINC000038086915 343369639 /nfs/dbraw/zinc/36/96/39/343369639.db2.gz XGHXUVCZBYXXFE-UHFFFAOYSA-N 2 1 218.344 2.099 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000037248594 343340911 /nfs/dbraw/zinc/34/09/11/343340911.db2.gz MFBSMBSQWQYPHH-GFCCVEGCSA-N 2 1 208.349 2.027 20 0 BEADMP C[C@H]1C[C@H]1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348869822 136302494 /nfs/dbraw/zinc/30/24/94/136302494.db2.gz PLSOTKJEAXKTNY-CSHRUCKSSA-N 2 1 222.376 2.199 20 0 BEADMP C[C@H]1C[C@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348869822 136302495 /nfs/dbraw/zinc/30/24/95/136302495.db2.gz PLSOTKJEAXKTNY-CSHRUCKSSA-N 2 1 222.376 2.199 20 0 BEADMP C[C@H]1C[C@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348869822 136302496 /nfs/dbraw/zinc/30/24/96/136302496.db2.gz PLSOTKJEAXKTNY-CSHRUCKSSA-N 2 1 222.376 2.199 20 0 BEADMP Cc1ccc(CNC[C@@H]2CC[N@H+](C3CC3)C2)o1 ZINC000037408312 343344560 /nfs/dbraw/zinc/34/45/60/343344560.db2.gz MSGRZRWQQGXTLQ-LBPRGKRZSA-N 2 1 234.343 2.162 20 0 BEADMP c1ccc2c(c1)CC[C@H]2C[NH2+][C@H]1CCC[NH2+]C1 ZINC000335649858 136304675 /nfs/dbraw/zinc/30/46/75/136304675.db2.gz JVSYDOKPDTVMNW-KBPBESRZSA-N 2 1 230.355 2.058 20 0 BEADMP c1ccc2c(c1)CC[C@@H]2C[NH2+][C@H]1CCC[NH2+]C1 ZINC000335649859 136304782 /nfs/dbraw/zinc/30/47/82/136304782.db2.gz JVSYDOKPDTVMNW-KGLIPLIRSA-N 2 1 230.355 2.058 20 0 BEADMP Cc1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)cc1 ZINC000020264749 187257793 /nfs/dbraw/zinc/25/77/93/187257793.db2.gz GLHHCFOKVIOSDD-UHFFFAOYSA-N 2 1 232.371 2.426 20 0 BEADMP CC[N@@H+](C/C=C\c1ccncc1)CCC[NH+](C)C ZINC000349372528 136343451 /nfs/dbraw/zinc/34/34/51/136343451.db2.gz VHNTWIBPPBJPCL-ALCCZGGFSA-N 2 1 247.386 2.368 20 0 BEADMP CC[N@H+](C/C=C\c1ccncc1)CCC[NH+](C)C ZINC000349372528 136343452 /nfs/dbraw/zinc/34/34/52/136343452.db2.gz VHNTWIBPPBJPCL-ALCCZGGFSA-N 2 1 247.386 2.368 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)CC[C@@H]1CCOC1 ZINC000349407493 136344851 /nfs/dbraw/zinc/34/48/51/136344851.db2.gz NXJVPVLDCAOALS-CQSZACIVSA-N 2 1 242.407 2.077 20 0 BEADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000157114741 133481239 /nfs/dbraw/zinc/48/12/39/133481239.db2.gz LMVGBAQASXHWRH-GXSJLCMTSA-N 2 1 240.297 2.134 20 0 BEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(F)cc(F)c1 ZINC000157114741 133481240 /nfs/dbraw/zinc/48/12/40/133481240.db2.gz LMVGBAQASXHWRH-GXSJLCMTSA-N 2 1 240.297 2.134 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H]1CCSC1 ZINC000349411463 136345023 /nfs/dbraw/zinc/34/50/23/136345023.db2.gz XKBDPHAAVIMOGM-LBPRGKRZSA-N 2 1 230.421 2.013 20 0 BEADMP CC[C@@H]1CCC[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000394501542 259360448 /nfs/dbraw/zinc/36/04/48/259360448.db2.gz BHVMEHSVEQMXNE-TUVASFSCSA-N 2 1 236.403 2.354 20 0 BEADMP CC(C)=CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000335725612 136346881 /nfs/dbraw/zinc/34/68/81/136346881.db2.gz JLBMWRILPSOCTP-AWEZNQCLSA-N 2 1 222.376 2.370 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccon1 ZINC000349247680 136333034 /nfs/dbraw/zinc/33/30/34/136333034.db2.gz UVSCEIYEKWTTTP-NSHDSACASA-N 2 1 248.330 2.311 20 0 BEADMP CC(C)OC1CC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000349351130 136342555 /nfs/dbraw/zinc/34/25/55/136342555.db2.gz FCBGWSRJXZPIAM-KBHBFKLGSA-N 2 1 240.391 2.015 20 0 BEADMP CC(C)OC1CC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000349351130 136342556 /nfs/dbraw/zinc/34/25/56/136342556.db2.gz FCBGWSRJXZPIAM-KBHBFKLGSA-N 2 1 240.391 2.015 20 0 BEADMP Cc1ncccc1C[N@H+](C)[C@H]1CCN(C)C[C@@H]1C ZINC000335844971 136354908 /nfs/dbraw/zinc/35/49/08/136354908.db2.gz XQGUCGKMDPFHGN-WFASDCNBSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ncccc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000335844971 136354909 /nfs/dbraw/zinc/35/49/09/136354909.db2.gz XQGUCGKMDPFHGN-WFASDCNBSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ncccc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000335844971 136354910 /nfs/dbraw/zinc/35/49/10/136354910.db2.gz XQGUCGKMDPFHGN-WFASDCNBSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ncccc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000335844971 136354911 /nfs/dbraw/zinc/35/49/11/136354911.db2.gz XQGUCGKMDPFHGN-WFASDCNBSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ncccc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000335844971 136354912 /nfs/dbraw/zinc/35/49/12/136354912.db2.gz XQGUCGKMDPFHGN-WFASDCNBSA-N 2 1 247.386 2.162 20 0 BEADMP CC1=C[C@H](C)C[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000335891850 136358720 /nfs/dbraw/zinc/35/87/20/136358720.db2.gz AYVKIMNBQWTOCX-JSGCOSHPSA-N 2 1 222.376 2.369 20 0 BEADMP CC1=C[C@H](C)C[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000335891850 136358721 /nfs/dbraw/zinc/35/87/21/136358721.db2.gz AYVKIMNBQWTOCX-JSGCOSHPSA-N 2 1 222.376 2.369 20 0 BEADMP Cc1ccsc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000258748559 136373912 /nfs/dbraw/zinc/37/39/12/136373912.db2.gz ACCZTTQNTQRXLG-NXEZZACHSA-N 2 1 210.346 2.026 20 0 BEADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000397358744 323048599 /nfs/dbraw/zinc/04/85/99/323048599.db2.gz FXCHDWFJEAYAJK-BBBLOLIVSA-N 2 1 238.297 2.244 20 0 BEADMP C[C@@H]1CC[N@@H+](CCC2CCC2)C[C@@H]1C[NH3+] ZINC000398701232 488222334 /nfs/dbraw/zinc/22/23/34/488222334.db2.gz KBUWTBZEIMGUGB-YPMHNXCESA-N 2 1 210.365 2.093 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccc(O)c1 ZINC000049553269 343602749 /nfs/dbraw/zinc/60/27/49/343602749.db2.gz FHFNWJOBFRHBGR-NWDGAFQWSA-N 2 1 236.359 2.383 20 0 BEADMP C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)c1c[nH+]ccc1N ZINC000580565119 365781898 /nfs/dbraw/zinc/78/18/98/365781898.db2.gz VVTMJNOISYOQEL-AXFHLTTASA-N 2 1 237.322 2.425 20 0 BEADMP CC(C)[C@@H](C)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000570341948 323056646 /nfs/dbraw/zinc/05/66/46/323056646.db2.gz WCVVVDQEJZAWGW-GFCCVEGCSA-N 2 1 223.364 2.329 20 0 BEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC(C)C)cn1 ZINC000048329436 187269251 /nfs/dbraw/zinc/26/92/51/187269251.db2.gz LEHDDGZHEBMLPY-UHFFFAOYSA-N 2 1 244.342 2.321 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CCc1ccco1 ZINC000049566161 187269999 /nfs/dbraw/zinc/26/99/99/187269999.db2.gz WVNCNXIQVVGPIC-LBPRGKRZSA-N 2 1 247.342 2.395 20 0 BEADMP Clc1cnccc1C[N@@H+]1CCc2nc[nH]c2C1 ZINC000625436004 343733987 /nfs/dbraw/zinc/73/39/87/343733987.db2.gz DQOFEWASAXIZIV-UHFFFAOYSA-N 2 1 248.717 2.016 20 0 BEADMP Clc1cnccc1C[N@H+]1CCc2nc[nH]c2C1 ZINC000625436004 343733990 /nfs/dbraw/zinc/73/39/90/343733990.db2.gz DQOFEWASAXIZIV-UHFFFAOYSA-N 2 1 248.717 2.016 20 0 BEADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)no1 ZINC000584232796 343776582 /nfs/dbraw/zinc/77/65/82/343776582.db2.gz YRKQXYDSWKWJSP-LLVKDONJSA-N 2 1 245.326 2.293 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(C)CCC1 ZINC000090219875 343750357 /nfs/dbraw/zinc/75/03/57/343750357.db2.gz DKCLPCRMJLBEIG-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)s1 ZINC000044527731 343781489 /nfs/dbraw/zinc/78/14/89/343781489.db2.gz XLGIBSYEMBNIGU-NSHDSACASA-N 2 1 224.373 2.227 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@@H]2CCCC2(C)C)CC1 ZINC000336511542 346981419 /nfs/dbraw/zinc/98/14/19/346981419.db2.gz BYQYPNSBMLQVHQ-LBPRGKRZSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000233007188 537816682 /nfs/dbraw/zinc/81/66/82/537816682.db2.gz LIZMBZLMBHVOCS-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000233007188 537816693 /nfs/dbraw/zinc/81/66/93/537816693.db2.gz LIZMBZLMBHVOCS-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]CC2(C)CCC2)C1 ZINC000336683342 537822732 /nfs/dbraw/zinc/82/27/32/537822732.db2.gz JWCCTHOVFKOZFR-LBPRGKRZSA-N 2 1 210.365 2.108 20 0 BEADMP COc1cccc2c1CCC[C@@H]2[NH2+]CC(C)(C)[NH3+] ZINC000518359996 344210819 /nfs/dbraw/zinc/21/08/19/344210819.db2.gz MALXQCFBOHOBFL-ZDUSSCGKSA-N 2 1 248.370 2.400 20 0 BEADMP CC(C)CCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622003958 344181414 /nfs/dbraw/zinc/18/14/14/344181414.db2.gz IGJPUIZTOJRVPK-OLZOCXBDSA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000132241704 344289530 /nfs/dbraw/zinc/28/95/30/344289530.db2.gz RPTZXAJZMPXLAZ-YPMHNXCESA-N 2 1 210.365 2.249 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1cccc(Cl)c1 ZINC000042437181 344452888 /nfs/dbraw/zinc/45/28/88/344452888.db2.gz KWFMWDUCHCEPLR-UHFFFAOYSA-N 2 1 212.724 2.121 20 0 BEADMP CC[C@@H](C)[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000049330389 344613986 /nfs/dbraw/zinc/61/39/86/344613986.db2.gz JVCPHWLHXUXRDG-MNOVXSKESA-N 2 1 209.337 2.216 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC2(C)CCC2)C1 ZINC000336778533 537851610 /nfs/dbraw/zinc/85/16/10/537851610.db2.gz LOBBXXCXFLHMLM-ZDUSSCGKSA-N 2 1 224.392 2.498 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000049538805 344652068 /nfs/dbraw/zinc/65/20/68/344652068.db2.gz UIFOANBBALSIHK-XVKPBYJWSA-N 2 1 227.377 2.148 20 0 BEADMP Cc1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)s1 ZINC000050226803 344743017 /nfs/dbraw/zinc/74/30/17/344743017.db2.gz VPSOVVSPHKRLQI-NSHDSACASA-N 2 1 212.362 2.129 20 0 BEADMP CC(C)=CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158649640 344707462 /nfs/dbraw/zinc/70/74/62/344707462.db2.gz KZTPLPXCGNGXHF-KGLIPLIRSA-N 2 1 222.376 2.369 20 0 BEADMP CC(C)=CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158649640 344707464 /nfs/dbraw/zinc/70/74/64/344707464.db2.gz KZTPLPXCGNGXHF-KGLIPLIRSA-N 2 1 222.376 2.369 20 0 BEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cccn2C)C1 ZINC000119081056 187294961 /nfs/dbraw/zinc/29/49/61/187294961.db2.gz OOLWYJCVZXKXKH-CQSZACIVSA-N 2 1 249.402 2.235 20 0 BEADMP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993400 345190706 /nfs/dbraw/zinc/19/07/06/345190706.db2.gz SZDBDWLWLYZWFG-YPHRVZEWSA-N 2 1 234.387 2.391 20 0 BEADMP C[C@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)CC12CCC2 ZINC000634994766 345182824 /nfs/dbraw/zinc/18/28/24/345182824.db2.gz MJYKINTZPRMMAT-OPFPJEHXSA-N 2 1 234.387 2.251 20 0 BEADMP C[C@@H]1CCC[C@H](C)[N@H+](CC23CC(C2)CN3)C1 ZINC000634992897 345188259 /nfs/dbraw/zinc/18/82/59/345188259.db2.gz FJNCTIAMIQHXCL-KBHBFKLGSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1CCC[C@H](C)[N@@H+](CC23CC(C2)CN3)C1 ZINC000634992897 345188260 /nfs/dbraw/zinc/18/82/60/345188260.db2.gz FJNCTIAMIQHXCL-KBHBFKLGSA-N 2 1 222.376 2.249 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000635024328 345224817 /nfs/dbraw/zinc/22/48/17/345224817.db2.gz WLOHBQLNPJQIOG-ZIAGYGMSSA-N 2 1 241.338 2.204 20 0 BEADMP CCc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000634998170 345197593 /nfs/dbraw/zinc/19/75/93/345197593.db2.gz BTJGHYYNNDMFQW-WDEREUQCSA-N 2 1 238.400 2.337 20 0 BEADMP c1ccc([C@H]2CCC[C@H]2[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000635004446 345207463 /nfs/dbraw/zinc/20/74/63/345207463.db2.gz OPINMGUHHSZUAD-RRFJBIMHSA-N 2 1 230.355 2.274 20 0 BEADMP C[C@@H]([NH2+]Cc1cccc2[nH]ccc21)[C@@H]1CCC[NH2+]1 ZINC000635011098 345212597 /nfs/dbraw/zinc/21/25/97/345212597.db2.gz CWZRMJNUBPCZNI-RISCZKNCSA-N 2 1 243.354 2.398 20 0 BEADMP C[C@H]([NH2+]Cc1cccc2[nH]ccc21)[C@@H]1CCC[NH2+]1 ZINC000635011097 345212709 /nfs/dbraw/zinc/21/27/09/345212709.db2.gz CWZRMJNUBPCZNI-FZMZJTMJSA-N 2 1 243.354 2.398 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]CCCC(C)C)C1 ZINC000162089454 345260289 /nfs/dbraw/zinc/26/02/89/345260289.db2.gz IWNCHVWOEANBIM-ZDUSSCGKSA-N 2 1 212.381 2.354 20 0 BEADMP CCSCC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000158580667 345351682 /nfs/dbraw/zinc/35/16/82/345351682.db2.gz GDHCAZBZDMKENG-UHFFFAOYSA-N 2 1 242.432 2.204 20 0 BEADMP CSCC[C@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000158593280 345353279 /nfs/dbraw/zinc/35/32/79/345353279.db2.gz TVJQWPZLIFKOQQ-NSHDSACASA-N 2 1 230.421 2.059 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)C1CCC1 ZINC000308895460 187306762 /nfs/dbraw/zinc/30/67/62/187306762.db2.gz ZGLGRXZXFVQRRJ-NWDGAFQWSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)C1CCC1 ZINC000308895460 187306763 /nfs/dbraw/zinc/30/67/63/187306763.db2.gz ZGLGRXZXFVQRRJ-NWDGAFQWSA-N 2 1 212.381 2.493 20 0 BEADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C[NH3+] ZINC000252701814 345580176 /nfs/dbraw/zinc/58/01/76/345580176.db2.gz FKMJKEQHUVZBJG-GXTWGEPZSA-N 2 1 218.344 2.103 20 0 BEADMP Cc1ccc(C[N@@H+](C)[C@@H](C[NH3+])C2CC2)c(C)c1 ZINC000159756965 345518548 /nfs/dbraw/zinc/51/85/48/345518548.db2.gz KWPNEEBEGBFNMU-HNNXBMFYSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1ccc(C[N@H+](C)[C@@H](C[NH3+])C2CC2)c(C)c1 ZINC000159756965 345518550 /nfs/dbraw/zinc/51/85/50/345518550.db2.gz KWPNEEBEGBFNMU-HNNXBMFYSA-N 2 1 232.371 2.473 20 0 BEADMP CC[C@H](CSC)[N@H+](C)CCn1cc[nH+]c1C ZINC000091099401 345587264 /nfs/dbraw/zinc/58/72/64/345587264.db2.gz ULIYVMWZUVOEQJ-GFCCVEGCSA-N 2 1 241.404 2.265 20 0 BEADMP CC[C@H](CSC)[N@@H+](C)CCn1cc[nH+]c1C ZINC000091099401 345587265 /nfs/dbraw/zinc/58/72/65/345587265.db2.gz ULIYVMWZUVOEQJ-GFCCVEGCSA-N 2 1 241.404 2.265 20 0 BEADMP CC(C)[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccnc1 ZINC000091266442 345590581 /nfs/dbraw/zinc/59/05/81/345590581.db2.gz SCKIRRSJPBRTKG-HNNXBMFYSA-N 2 1 247.386 2.463 20 0 BEADMP C[C@H]1CC[NH+](CCC[N@@H+]2CC[C@H](C)C2)C1 ZINC000137675704 345685099 /nfs/dbraw/zinc/68/50/99/345685099.db2.gz JSFSIQWVRIGBLS-STQMWFEESA-N 2 1 210.365 2.060 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000230604186 345751711 /nfs/dbraw/zinc/75/17/11/345751711.db2.gz DRRWBJXDYPQJHY-JOYOIKCWSA-N 2 1 210.296 2.214 20 0 BEADMP CC1(C)C[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300358575 345852554 /nfs/dbraw/zinc/85/25/54/345852554.db2.gz IPVXRFFYDJXAEH-UPJWGTAASA-N 2 1 222.376 2.249 20 0 BEADMP CC(C)[NH+](CC[NH2+][C@@H](C)CCCC[NH3+])C(C)C ZINC000310570352 187312509 /nfs/dbraw/zinc/31/25/09/187312509.db2.gz ZACSFPPAIFLYMF-AWEZNQCLSA-N 3 1 243.439 2.212 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000300986633 187313957 /nfs/dbraw/zinc/31/39/57/187313957.db2.gz UXKYYFSLGMFCAQ-STQMWFEESA-N 2 1 212.381 2.339 20 0 BEADMP CCCC[N@@H+](CC)CC[C@@H]1CCC[NH2+]C1 ZINC000051918843 346207311 /nfs/dbraw/zinc/20/73/11/346207311.db2.gz SBKCSPLFWFUIHV-ZDUSSCGKSA-N 2 1 212.381 2.498 20 0 BEADMP CCC[C@@H](C)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000051919028 346207744 /nfs/dbraw/zinc/20/77/44/346207744.db2.gz PYEUMORPPLPSMQ-OLZOCXBDSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000215908759 349944604 /nfs/dbraw/zinc/94/46/04/349944604.db2.gz YQTIEJVZQWOHBB-ZWNOBZJWSA-N 2 1 238.762 2.395 20 0 BEADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000669378418 537965599 /nfs/dbraw/zinc/96/55/99/537965599.db2.gz DOEIRAGADRROJI-QWHCGFSZSA-N 2 1 210.365 2.251 20 0 BEADMP Cc1cccc(CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000358102291 179059551 /nfs/dbraw/zinc/05/95/51/179059551.db2.gz SWWCGZJOQRVZFE-ZBFHGGJFSA-N 2 1 246.398 2.467 20 0 BEADMP CC[N@@H+](CC(C)C)C[C@H]1CCCC[NH2+]C1 ZINC000669379131 537975896 /nfs/dbraw/zinc/97/58/96/537975896.db2.gz SXGIUQIZMWBNFK-ZDUSSCGKSA-N 2 1 212.381 2.354 20 0 BEADMP Cc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c1 ZINC000042435906 179067114 /nfs/dbraw/zinc/06/71/14/179067114.db2.gz ZHZUEBQSNRJURV-OAHLLOKOSA-N 2 1 232.371 2.426 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cccc(C)n1 ZINC000336706355 179067959 /nfs/dbraw/zinc/06/79/59/179067959.db2.gz JUCKQKGBKYPTEF-UHFFFAOYSA-N 2 1 244.342 2.027 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1cccc(C)n1 ZINC000336706355 179067963 /nfs/dbraw/zinc/06/79/63/179067963.db2.gz JUCKQKGBKYPTEF-UHFFFAOYSA-N 2 1 244.342 2.027 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000235915346 179081704 /nfs/dbraw/zinc/08/17/04/179081704.db2.gz IBBDOPVYVFBESL-AWEZNQCLSA-N 2 1 218.344 2.166 20 0 BEADMP Cc1cccc(C[N@H+]2CCC[C@H](C[NH3+])C2)c1C ZINC000044528079 179076650 /nfs/dbraw/zinc/07/66/50/179076650.db2.gz JYHYNDJJZHCBIO-CQSZACIVSA-N 2 1 232.371 2.474 20 0 BEADMP Cc1cccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000122345038 179082630 /nfs/dbraw/zinc/08/26/30/179082630.db2.gz UKQFXGDBFGXMLS-GXTWGEPZSA-N 2 1 218.344 2.164 20 0 BEADMP C[C@H]1CCC(C)(C)[N@H+]1CC1CC[NH2+]CC1 ZINC000641794128 362734616 /nfs/dbraw/zinc/73/46/16/362734616.db2.gz QOLKEFOVXDPSBW-NSHDSACASA-N 2 1 210.365 2.249 20 0 BEADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000641804244 362761519 /nfs/dbraw/zinc/76/15/19/362761519.db2.gz XBKACEUKKYGOJX-NEPJUHHUSA-N 2 1 240.297 2.180 20 0 BEADMP CC1(C)[C@H]([NH2+]Cc2cc(F)cc(F)c2)C[C@@H]1[NH3+] ZINC000641804245 362761593 /nfs/dbraw/zinc/76/15/93/362761593.db2.gz XBKACEUKKYGOJX-NWDGAFQWSA-N 2 1 240.297 2.180 20 0 BEADMP COc1ccc(C)cc1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641805074 362763206 /nfs/dbraw/zinc/76/32/06/362763206.db2.gz MNMLIPZWKYBFQX-KBPBESRZSA-N 2 1 248.370 2.219 20 0 BEADMP C[NH2+]CCC[N@H+]1CCc2ccccc2C1(C)C ZINC000641801469 362755300 /nfs/dbraw/zinc/75/53/00/362755300.db2.gz RADRXGPFEJXKTG-UHFFFAOYSA-N 2 1 232.371 2.389 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+]1CCCOCc1ccccc1 ZINC000203070555 346620223 /nfs/dbraw/zinc/62/02/23/346620223.db2.gz MOIVWJDFZZLFBJ-OAHLLOKOSA-N 2 1 248.370 2.016 20 0 BEADMP [NH3+]C[C@H]1CCC[N@H+]1CCCOCc1ccccc1 ZINC000203070555 346620225 /nfs/dbraw/zinc/62/02/25/346620225.db2.gz MOIVWJDFZZLFBJ-OAHLLOKOSA-N 2 1 248.370 2.016 20 0 BEADMP Cc1cccc(NCC2CC[NH+](C)CC2)[nH+]1 ZINC000044526173 179143117 /nfs/dbraw/zinc/14/31/17/179143117.db2.gz RCLUDQBCUZBDSY-UHFFFAOYSA-N 2 1 219.332 2.144 20 0 BEADMP C[C@@H](c1ccccc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252699704 346780309 /nfs/dbraw/zinc/78/03/09/346780309.db2.gz VTIFYBOKHPLFSV-AGIUHOORSA-N 2 1 218.344 2.417 20 0 BEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccoc1 ZINC000381733177 346772386 /nfs/dbraw/zinc/77/23/86/346772386.db2.gz NXAUZMSYLNCZBB-LLVKDONJSA-N 2 1 220.316 2.192 20 0 BEADMP CCc1[nH+]ccn1Cc1ccnc(C)c1 ZINC000621994956 370650258 /nfs/dbraw/zinc/65/02/58/370650258.db2.gz OMDCKLXTIDDODN-UHFFFAOYSA-N 2 1 201.273 2.197 20 0 BEADMP Cc1cccc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)[nH+]1 ZINC000226881506 179157905 /nfs/dbraw/zinc/15/79/05/179157905.db2.gz LOMOMDCGIPBRMI-RYUDHWBXSA-N 2 1 219.332 2.285 20 0 BEADMP Cc1cccc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)[nH+]1 ZINC000226881506 179157906 /nfs/dbraw/zinc/15/79/06/179157906.db2.gz LOMOMDCGIPBRMI-RYUDHWBXSA-N 2 1 219.332 2.285 20 0 BEADMP CC(C)(C)CC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622003472 370654472 /nfs/dbraw/zinc/65/44/72/370654472.db2.gz AGMNJRNFQMNLGX-DGCLKSJQSA-N 2 1 210.365 2.236 20 0 BEADMP CCC[C@H](C)C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622004476 370656164 /nfs/dbraw/zinc/65/61/64/370656164.db2.gz PGYLMEFOGKNULV-XQQFMLRXSA-N 2 1 210.365 2.236 20 0 BEADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)s1 ZINC000082238103 347306923 /nfs/dbraw/zinc/30/69/23/347306923.db2.gz HZIKNIUNIWAOCK-BETUJISGSA-N 2 1 236.384 2.016 20 0 BEADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)C1CCC1 ZINC000401662797 347507325 /nfs/dbraw/zinc/50/73/25/347507325.db2.gz YUTNWNJFYFTVCA-ZDUSSCGKSA-N 2 1 221.348 2.131 20 0 BEADMP COCCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786253 347556986 /nfs/dbraw/zinc/55/69/86/347556986.db2.gz KMNMBDREGFXPBF-UHFFFAOYSA-N 2 1 242.407 2.075 20 0 BEADMP Cc1ccccc1CC[NH2+]C1CC[NH+](C)CC1 ZINC000076679569 179266058 /nfs/dbraw/zinc/26/60/58/179266058.db2.gz SDLQVNBDUPKVAA-UHFFFAOYSA-N 2 1 232.371 2.221 20 0 BEADMP Cc1ccccc1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000042436131 179268711 /nfs/dbraw/zinc/26/87/11/179268711.db2.gz NMLWZEONSPXPAG-AWEZNQCLSA-N 2 1 232.371 2.426 20 0 BEADMP Cc1ccccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229061757 179272985 /nfs/dbraw/zinc/27/29/85/179272985.db2.gz DVWDWYGCPMUCEO-HIFRSBDPSA-N 2 1 232.371 2.412 20 0 BEADMP Cc1ccccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229061773 179275899 /nfs/dbraw/zinc/27/58/99/179275899.db2.gz DVWDWYGCPMUCEO-ZFWWWQNUSA-N 2 1 232.371 2.412 20 0 BEADMP Cc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049712975 179276972 /nfs/dbraw/zinc/27/69/72/179276972.db2.gz RYRFEPQYAFWMQG-OCCSQVGLSA-N 2 1 218.344 2.164 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](CC)CCSC ZINC000592205490 347756845 /nfs/dbraw/zinc/75/68/45/347756845.db2.gz ZWBYHZQNOJEVCC-UHFFFAOYSA-N 2 1 232.437 2.403 20 0 BEADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H]2CC[NH2+]C2)C1 ZINC000592476773 347791370 /nfs/dbraw/zinc/79/13/70/347791370.db2.gz YQOSOLKYZUKUQU-JHJVBQTASA-N 2 1 242.432 2.202 20 0 BEADMP Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CC[NH3+])C1 ZINC000083008567 179348461 /nfs/dbraw/zinc/34/84/61/179348461.db2.gz KLBOPDPJDZOBBV-OLZOCXBDSA-N 2 1 218.344 2.132 20 0 BEADMP Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CC[NH3+])C1 ZINC000083008567 179348463 /nfs/dbraw/zinc/34/84/63/179348463.db2.gz KLBOPDPJDZOBBV-OLZOCXBDSA-N 2 1 218.344 2.132 20 0 BEADMP C[C@H](CSCCF)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000595025269 348172517 /nfs/dbraw/zinc/17/25/17/348172517.db2.gz KRGLUQBRNHGNIA-UTUOFQBUSA-N 2 1 248.411 2.150 20 0 BEADMP C[C@H](CSCCF)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000595025269 348172520 /nfs/dbraw/zinc/17/25/20/348172520.db2.gz KRGLUQBRNHGNIA-UTUOFQBUSA-N 2 1 248.411 2.150 20 0 BEADMP Cc1cccnc1C[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000093465849 179381593 /nfs/dbraw/zinc/38/15/93/179381593.db2.gz MPTSALZKXHNMFI-STQMWFEESA-N 2 1 233.359 2.010 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCCOCC2)CC1(C)C ZINC000623484839 362909179 /nfs/dbraw/zinc/90/91/79/362909179.db2.gz DKNBOTCNWXWLQW-QWHCGFSZSA-N 2 1 240.391 2.018 20 0 BEADMP CCSC1(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000596650803 348606040 /nfs/dbraw/zinc/60/60/40/348606040.db2.gz KRFNHVMVVPCSQI-VXGBXAGGSA-N 2 1 242.432 2.392 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)C[C@@H]1C ZINC000082836295 348825545 /nfs/dbraw/zinc/82/55/45/348825545.db2.gz JZPRVROTLFLZSG-DYEKYZERSA-N 2 1 224.392 2.495 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C2CC(F)(F)C2)CC1(C)C ZINC000623507342 362931662 /nfs/dbraw/zinc/93/16/62/362931662.db2.gz FOJFKDXMBWXTON-VIFPVBQESA-N 2 1 232.318 2.247 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000249987619 349165448 /nfs/dbraw/zinc/16/54/48/349165448.db2.gz STJUZNVOPFDEQS-FQUUOJAGSA-N 2 1 242.407 2.262 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000250483678 349171260 /nfs/dbraw/zinc/17/12/60/349171260.db2.gz DEMWUSNSSPWNMW-STQMWFEESA-N 2 1 242.432 2.202 20 0 BEADMP CCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000252687381 349210569 /nfs/dbraw/zinc/21/05/69/349210569.db2.gz LDDBVEJWLULUKB-TZMCWYRMSA-N 2 1 248.370 2.397 20 0 BEADMP CC1(C)CC(C[N@H+]2CCC[C@H](CC[NH3+])C2)C1 ZINC000530220375 323218183 /nfs/dbraw/zinc/21/81/83/323218183.db2.gz UFQKVZDSVKZGRB-GFCCVEGCSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@@H]1C[N@@H+](C/C=C\c2ccccc2)CC[C@H]1[NH3+] ZINC000251928022 349193526 /nfs/dbraw/zinc/19/35/26/349193526.db2.gz YMPMBDKWTYYQOB-VZFGUZNESA-N 2 1 230.355 2.369 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623524327 362944558 /nfs/dbraw/zinc/94/45/58/362944558.db2.gz OASJFEAYKRVBPG-WOPDTQHZSA-N 2 1 210.365 2.247 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCCC2)[C@@H](C)C1 ZINC000221694966 349277228 /nfs/dbraw/zinc/27/72/28/349277228.db2.gz OOYRDELLAVVNMI-WCQYABFASA-N 2 1 210.365 2.249 20 0 BEADMP Cc1c[nH+]ccc1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000070489530 350015221 /nfs/dbraw/zinc/01/52/21/350015221.db2.gz CYBWNBZGGVJRSC-LBPRGKRZSA-N 2 1 231.343 2.286 20 0 BEADMP COCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623530668 362948384 /nfs/dbraw/zinc/94/83/84/362948384.db2.gz HTXHPNWFWOZPDE-GFCCVEGCSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CC[C@@H](C)C2)C1 ZINC000070643537 350035995 /nfs/dbraw/zinc/03/59/95/350035995.db2.gz ALEZIGMLRIHGLW-HZSPNIEDSA-N 2 1 224.392 2.495 20 0 BEADMP C(CC1CC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128059309 191008659 /nfs/dbraw/zinc/00/86/59/191008659.db2.gz JWXWUZWMLFWAES-CHWSQXEVSA-N 2 1 208.349 2.003 20 0 BEADMP C[C@H](c1ccncc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000603939453 350056801 /nfs/dbraw/zinc/05/68/01/350056801.db2.gz MDFBZUHXMQTVKY-CHWSQXEVSA-N 2 1 233.359 2.026 20 0 BEADMP C[C@H](c1ccncc1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000603939453 350056806 /nfs/dbraw/zinc/05/68/06/350056806.db2.gz MDFBZUHXMQTVKY-CHWSQXEVSA-N 2 1 233.359 2.026 20 0 BEADMP CCC[N@H+](CC)CC[NH2+]C[C@H](C)CC ZINC000133577850 191041751 /nfs/dbraw/zinc/04/17/51/191041751.db2.gz XXAJKKYSHBURBM-GFCCVEGCSA-N 2 1 200.370 2.354 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+]C[C@H](C)CC ZINC000133577850 191041754 /nfs/dbraw/zinc/04/17/54/191041754.db2.gz XXAJKKYSHBURBM-GFCCVEGCSA-N 2 1 200.370 2.354 20 0 BEADMP CSCCCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000133641699 191042963 /nfs/dbraw/zinc/04/29/63/191042963.db2.gz WHCKHGSYVBEZFS-RYUDHWBXSA-N 2 1 230.421 2.059 20 0 BEADMP CSCCCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000133641487 191043057 /nfs/dbraw/zinc/04/30/57/191043057.db2.gz WHCKHGSYVBEZFS-NEPJUHHUSA-N 2 1 230.421 2.059 20 0 BEADMP Cc1ncc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000069626959 180143492 /nfs/dbraw/zinc/14/34/92/180143492.db2.gz VDEYMECBMHROLS-MWLCHTKSSA-N 2 1 239.388 2.011 20 0 BEADMP Cc1ncc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000069626959 180143494 /nfs/dbraw/zinc/14/34/94/180143494.db2.gz VDEYMECBMHROLS-MWLCHTKSSA-N 2 1 239.388 2.011 20 0 BEADMP Cc1ncc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000226927437 180143497 /nfs/dbraw/zinc/14/34/97/180143497.db2.gz VDEYMECBMHROLS-ONGXEEELSA-N 2 1 239.388 2.011 20 0 BEADMP Cc1ncc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000226927437 180143500 /nfs/dbraw/zinc/14/35/00/180143500.db2.gz VDEYMECBMHROLS-ONGXEEELSA-N 2 1 239.388 2.011 20 0 BEADMP Cc1ncccc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000336498795 180218268 /nfs/dbraw/zinc/21/82/68/180218268.db2.gz HNZSGIVUZGZDET-OAHLLOKOSA-N 2 1 247.386 2.306 20 0 BEADMP Cc1ncccc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000336498795 180218269 /nfs/dbraw/zinc/21/82/69/180218269.db2.gz HNZSGIVUZGZDET-OAHLLOKOSA-N 2 1 247.386 2.306 20 0 BEADMP Cc1ncccc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368367692 180222652 /nfs/dbraw/zinc/22/26/52/180222652.db2.gz UGDAYLXRJZRJAJ-LSDHHAIUSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1ncccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368367692 180222653 /nfs/dbraw/zinc/22/26/53/180222653.db2.gz UGDAYLXRJZRJAJ-LSDHHAIUSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1ncccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368367692 180222655 /nfs/dbraw/zinc/22/26/55/180222655.db2.gz UGDAYLXRJZRJAJ-LSDHHAIUSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1CCC1 ZINC000336710480 180234894 /nfs/dbraw/zinc/23/48/94/180234894.db2.gz ZDXNYXJBTIIJOI-UHFFFAOYSA-N 2 1 221.348 2.314 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)CC1CCC1 ZINC000336710480 180234896 /nfs/dbraw/zinc/23/48/96/180234896.db2.gz ZDXNYXJBTIIJOI-UHFFFAOYSA-N 2 1 221.348 2.314 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H]1C[C@H]1C ZINC000336678454 180236062 /nfs/dbraw/zinc/23/60/62/180236062.db2.gz BRXCKQQGLJUQNF-YPMHNXCESA-N 2 1 221.348 2.217 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000309796634 180246356 /nfs/dbraw/zinc/24/63/56/180246356.db2.gz QICDQAUXGZIYBF-DGCLKSJQSA-N 2 1 221.348 2.360 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)C1CCCC1 ZINC000270892486 180246685 /nfs/dbraw/zinc/24/66/85/180246685.db2.gz YDGWGKNLVQIYEU-UHFFFAOYSA-N 2 1 207.321 2.066 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)C1CCCC1 ZINC000270892486 180246686 /nfs/dbraw/zinc/24/66/86/180246686.db2.gz YDGWGKNLVQIYEU-UHFFFAOYSA-N 2 1 207.321 2.066 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](CC1CC1)C1CCC1 ZINC000361584554 180251284 /nfs/dbraw/zinc/25/12/84/180251284.db2.gz NVSPIBKBEGMQAC-UHFFFAOYSA-N 2 1 233.359 2.456 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](CC1CC1)C1CCC1 ZINC000361584554 180251285 /nfs/dbraw/zinc/25/12/85/180251285.db2.gz NVSPIBKBEGMQAC-UHFFFAOYSA-N 2 1 233.359 2.456 20 0 BEADMP Cc1[nH+]ccn1CCC[NH+]1CCCCCC1 ZINC000336706409 180240766 /nfs/dbraw/zinc/24/07/66/180240766.db2.gz RPNZWOHFDUWTDL-UHFFFAOYSA-N 2 1 221.348 2.458 20 0 BEADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C)CC1 ZINC000336690195 180242340 /nfs/dbraw/zinc/24/23/40/180242340.db2.gz AJPRJLZFWRNVSO-UHFFFAOYSA-N 2 1 221.348 2.314 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccccn1 ZINC000338016377 180245586 /nfs/dbraw/zinc/24/55/86/180245586.db2.gz KPJUUKSYARGJSZ-LBPRGKRZSA-N 2 1 244.342 2.327 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]C1CCC(C)CC1 ZINC000049329861 180260941 /nfs/dbraw/zinc/26/09/41/180260941.db2.gz LJSPUCMFRRPXMG-UHFFFAOYSA-N 2 1 221.348 2.360 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC[C@H]1C ZINC000049329899 180262429 /nfs/dbraw/zinc/26/24/29/180262429.db2.gz WTBXHJRKGDOPJC-YPMHNXCESA-N 2 1 221.348 2.360 20 0 BEADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cs1 ZINC000309297966 350269704 /nfs/dbraw/zinc/26/97/04/350269704.db2.gz LFOWATCHJSRIIF-LBPRGKRZSA-N 2 1 238.400 2.488 20 0 BEADMP CC[NH+]1CCC([N@H+](C)CCC(C)(C)OC)CC1 ZINC000336695689 350450784 /nfs/dbraw/zinc/45/07/84/350450784.db2.gz OIHNHTHSAPIBTM-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)CCC(C)(C)OC)CC1 ZINC000336695689 350450788 /nfs/dbraw/zinc/45/07/88/350450788.db2.gz OIHNHTHSAPIBTM-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000300333418 490556879 /nfs/dbraw/zinc/55/68/79/490556879.db2.gz MJFNSLXGICIUJR-RVMXOQNASA-N 2 1 240.416 2.097 20 0 BEADMP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)O1 ZINC000623545185 362965416 /nfs/dbraw/zinc/96/54/16/362965416.db2.gz AAXAGOUQTLARPD-AGIUHOORSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CS1 ZINC000623549722 362969535 /nfs/dbraw/zinc/96/95/35/362969535.db2.gz MOSQMNFOWKTOSV-IJLUTSLNSA-N 2 1 242.432 2.343 20 0 BEADMP CC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335619799 538097855 /nfs/dbraw/zinc/09/78/55/538097855.db2.gz NASYOPGEMZCVST-CHWSQXEVSA-N 2 1 210.365 2.108 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC23CC3)CC1(C)C ZINC000623554619 362974887 /nfs/dbraw/zinc/97/48/87/362974887.db2.gz GZZUOMHELDPEFI-QWRGUYRKSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000245593203 350823645 /nfs/dbraw/zinc/82/36/45/350823645.db2.gz GTVWDZDQMYCWBA-FRRDWIJNSA-N 2 1 210.365 2.344 20 0 BEADMP C[C@@H]1CC[C@H](C)[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245593203 350823646 /nfs/dbraw/zinc/82/36/46/350823646.db2.gz GTVWDZDQMYCWBA-FRRDWIJNSA-N 2 1 210.365 2.344 20 0 BEADMP C[C@@H]1CC[C@H](C)[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245593203 350823647 /nfs/dbraw/zinc/82/36/47/350823647.db2.gz GTVWDZDQMYCWBA-FRRDWIJNSA-N 2 1 210.365 2.344 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2COC(C)(C)C2)CC1(C)C ZINC000623561959 362986229 /nfs/dbraw/zinc/98/62/29/362986229.db2.gz DAXNVZBBCLDNEG-RYUDHWBXSA-N 2 1 240.391 2.016 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccoc2)CC1(C)C ZINC000623569728 362998521 /nfs/dbraw/zinc/99/85/21/362998521.db2.gz VBTHMYXKIVCFGW-ZDUSSCGKSA-N 2 1 236.359 2.285 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@]2(C)CC2(F)F)CC1(C)C ZINC000623570154 362999649 /nfs/dbraw/zinc/99/96/49/362999649.db2.gz JEADXLFZSUGSDX-PWSUYJOCSA-N 2 1 246.345 2.494 20 0 BEADMP CC1CC(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623575804 363005800 /nfs/dbraw/zinc/00/58/00/363005800.db2.gz QIPKHWBKPQWSKR-BPCQOVAHSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccsc1 ZINC000063153012 351263479 /nfs/dbraw/zinc/26/34/79/351263479.db2.gz XJRXGAMYMXMLGZ-MWLCHTKSSA-N 2 1 210.346 2.060 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccsc1 ZINC000063153012 351263483 /nfs/dbraw/zinc/26/34/83/351263483.db2.gz XJRXGAMYMXMLGZ-MWLCHTKSSA-N 2 1 210.346 2.060 20 0 BEADMP C[C@H](c1ccncc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000607358471 351332366 /nfs/dbraw/zinc/33/23/66/351332366.db2.gz JHRNOFXYZIVSGH-KGLIPLIRSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@H](c1ccncc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000607358471 351332371 /nfs/dbraw/zinc/33/23/71/351332371.db2.gz JHRNOFXYZIVSGH-KGLIPLIRSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@H](c1ccncc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000607358471 351332376 /nfs/dbraw/zinc/33/23/76/351332376.db2.gz JHRNOFXYZIVSGH-KGLIPLIRSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@H](c1ccncc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000607358471 351332379 /nfs/dbraw/zinc/33/23/79/351332379.db2.gz JHRNOFXYZIVSGH-KGLIPLIRSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@H](c1ccncc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000607358473 351332660 /nfs/dbraw/zinc/33/26/60/351332660.db2.gz JHRNOFXYZIVSGH-ZIAGYGMSSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@H](c1ccncc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000607358473 351332664 /nfs/dbraw/zinc/33/26/64/351332664.db2.gz JHRNOFXYZIVSGH-ZIAGYGMSSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@H](c1ccncc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000607358473 351332668 /nfs/dbraw/zinc/33/26/68/351332668.db2.gz JHRNOFXYZIVSGH-ZIAGYGMSSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@H](c1ccncc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000607358473 351332672 /nfs/dbraw/zinc/33/26/72/351332672.db2.gz JHRNOFXYZIVSGH-ZIAGYGMSSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@H](C[NH3+])[NH2+]Cc1ccc(C(F)F)cc1 ZINC000577828770 366074108 /nfs/dbraw/zinc/07/41/08/366074108.db2.gz ZKDJGTQHKAZODT-MRVPVSSYSA-N 2 1 214.259 2.061 20 0 BEADMP CCC[C@@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)OC ZINC000637930615 351806918 /nfs/dbraw/zinc/80/69/18/351806918.db2.gz QGJLDQRSKIHSCS-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[C@@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)OC ZINC000637930615 351806922 /nfs/dbraw/zinc/80/69/22/351806922.db2.gz QGJLDQRSKIHSCS-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[C@@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)OC ZINC000637930615 351806924 /nfs/dbraw/zinc/80/69/24/351806924.db2.gz QGJLDQRSKIHSCS-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP CC[C@@](C)(C[N@@H+](C)CC1CC[NH+](C)CC1)OC ZINC000638029407 351910355 /nfs/dbraw/zinc/91/03/55/351910355.db2.gz PAFKCNIYWQGHOU-AWEZNQCLSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@]2(C)CCCO2)CC1 ZINC000340179485 351979781 /nfs/dbraw/zinc/97/97/81/351979781.db2.gz DDQUNQSANYZQBC-GXTWGEPZSA-N 2 1 240.391 2.018 20 0 BEADMP CCCC[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336738310 351984985 /nfs/dbraw/zinc/98/49/85/351984985.db2.gz RGSGHKRGJOPWON-LBPRGKRZSA-N 2 1 210.365 2.417 20 0 BEADMP CC[C@](C)(C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)OC ZINC000638118041 351994038 /nfs/dbraw/zinc/99/40/38/351994038.db2.gz VEQBADONWZBICR-HZSPNIEDSA-N 2 1 242.407 2.216 20 0 BEADMP CC[C@](C)(C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)OC ZINC000638118041 351994039 /nfs/dbraw/zinc/99/40/39/351994039.db2.gz VEQBADONWZBICR-HZSPNIEDSA-N 2 1 242.407 2.216 20 0 BEADMP CC[C@](C)(C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)OC ZINC000638118041 351994042 /nfs/dbraw/zinc/99/40/42/351994042.db2.gz VEQBADONWZBICR-HZSPNIEDSA-N 2 1 242.407 2.216 20 0 BEADMP CC[C@](C)(C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)OC ZINC000638118041 351994044 /nfs/dbraw/zinc/99/40/44/351994044.db2.gz VEQBADONWZBICR-HZSPNIEDSA-N 2 1 242.407 2.216 20 0 BEADMP CCC[C@H](C[N@H+]1CC[C@H](C[NH+](C)CC)C1)OC ZINC000638131891 352001675 /nfs/dbraw/zinc/00/16/75/352001675.db2.gz FDSXJYKNRHGNFJ-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[C@H](C[NH+]1CC[C@H](C[N@H+](C)CC)C1)OC ZINC000638131891 352001678 /nfs/dbraw/zinc/00/16/78/352001678.db2.gz FDSXJYKNRHGNFJ-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[C@H](C[NH+]1CC[C@H](C[N@@H+](C)CC)C1)OC ZINC000638131891 352001680 /nfs/dbraw/zinc/00/16/80/352001680.db2.gz FDSXJYKNRHGNFJ-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP C(C[NH2+]CC[NH+]1CCCCCC1)C[C@H]1CCO1 ZINC000638335747 352154259 /nfs/dbraw/zinc/15/42/59/352154259.db2.gz NGOODPGXTCRCJC-AWEZNQCLSA-N 2 1 240.391 2.021 20 0 BEADMP CC[C@@H](C)[C@@H](C[NH2+]CCC[N@@H+](C)C(C)C)OC ZINC000638337035 352154979 /nfs/dbraw/zinc/15/49/79/352154979.db2.gz BOUGLVCJNMSXDN-ZIAGYGMSSA-N 2 1 244.423 2.367 20 0 BEADMP CO[C@@H](C[NH2+]CCC[N@@H+](C)C(C)C)CC(C)C ZINC000638337017 352155106 /nfs/dbraw/zinc/15/51/06/352155106.db2.gz BGESOBXYEZSXSR-CQSZACIVSA-N 2 1 244.423 2.367 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000638338243 352157817 /nfs/dbraw/zinc/15/78/17/352157817.db2.gz UOEFKCAMYATAKF-MNOVXSKESA-N 2 1 234.334 2.350 20 0 BEADMP CC[C@H](C[NH2+][C@H](C)[C@@H]1CC1(F)F)[NH+]1CCCC1 ZINC000638354667 352169316 /nfs/dbraw/zinc/16/93/16/352169316.db2.gz SQEOFHKQWLJQGI-UTUOFQBUSA-N 2 1 246.345 2.494 20 0 BEADMP CC(C)C1(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000638360607 352171639 /nfs/dbraw/zinc/17/16/39/352171639.db2.gz XEHCNWKAHXIJHS-ZDUSSCGKSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CC1(F)F ZINC000638377108 352188569 /nfs/dbraw/zinc/18/85/69/352188569.db2.gz NHZOOZHKGNMECT-WHOHXGKFSA-N 2 1 244.329 2.247 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CC1(F)F ZINC000638377104 352188616 /nfs/dbraw/zinc/18/86/16/352188616.db2.gz NHZOOZHKGNMECT-QCNOEVLYSA-N 2 1 244.329 2.247 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]CC2CCSCC2)C1 ZINC000638382175 352193702 /nfs/dbraw/zinc/19/37/02/352193702.db2.gz SSDRGVCLVUUSPD-ZDUSSCGKSA-N 2 1 242.432 2.061 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CS[C@H](C)C1 ZINC000638387134 352196481 /nfs/dbraw/zinc/19/64/81/352196481.db2.gz STMYNRUZAUVYEB-PWSUYJOCSA-N 2 1 239.388 2.065 20 0 BEADMP Cc1ccc(NCC2CC[NH+](C)CC2)[nH+]c1 ZINC000044526298 187606646 /nfs/dbraw/zinc/60/66/46/187606646.db2.gz ISYOLOLYCFAGSS-UHFFFAOYSA-N 2 1 219.332 2.144 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CS[C@H](C)C1 ZINC000638387135 352196673 /nfs/dbraw/zinc/19/66/73/352196673.db2.gz STMYNRUZAUVYEB-ZYHUDNBSSA-N 2 1 239.388 2.065 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CC2(F)F)C1 ZINC000638408346 352213809 /nfs/dbraw/zinc/21/38/09/352213809.db2.gz AHEYAVYEWULFAT-IJLUTSLNSA-N 2 1 246.345 2.352 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+]CC1CCSCC1 ZINC000638502316 352322871 /nfs/dbraw/zinc/32/28/71/352322871.db2.gz AJUYFWPTLNFIEZ-LBPRGKRZSA-N 2 1 244.448 2.450 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+]CC1CCSCC1 ZINC000638502316 352322874 /nfs/dbraw/zinc/32/28/74/352322874.db2.gz AJUYFWPTLNFIEZ-LBPRGKRZSA-N 2 1 244.448 2.450 20 0 BEADMP CCC[C@H](Cc1ccccc1)[NH2+][C@H](C)C[NH3+] ZINC000414931964 352338178 /nfs/dbraw/zinc/33/81/78/352338178.db2.gz SBLLCNJUJINYKR-TZMCWYRMSA-N 2 1 220.360 2.335 20 0 BEADMP Cc1ccc(CC[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000638589802 352420914 /nfs/dbraw/zinc/42/09/14/352420914.db2.gz YUSQGFPGBTYZDM-MRXNPFEDSA-N 2 1 246.398 2.469 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000252958516 538103742 /nfs/dbraw/zinc/10/37/42/538103742.db2.gz SWIAYLRCUHHJGQ-XQHKEYJVSA-N 2 1 210.365 2.105 20 0 BEADMP COc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1Cl ZINC000415004010 352478874 /nfs/dbraw/zinc/47/88/74/352478874.db2.gz HAPZCHOCBSQCII-IUCAKERBSA-N 2 1 242.750 2.174 20 0 BEADMP Cc1cc(C)cc(C[NH2+]CCc2c[nH+]cn2C)c1 ZINC000401826168 352556816 /nfs/dbraw/zinc/55/68/16/352556816.db2.gz HRXNHXYWNRCKTN-UHFFFAOYSA-N 2 1 243.354 2.369 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cc1ccsc1 ZINC000049330440 352609081 /nfs/dbraw/zinc/60/90/81/352609081.db2.gz IYCXECNJYFUETO-NSHDSACASA-N 2 1 249.383 2.474 20 0 BEADMP C(CC1CCCCC1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043327111 352637355 /nfs/dbraw/zinc/63/73/55/352637355.db2.gz SIHJSYOHQLVKBK-CYBMUJFWSA-N 2 1 210.365 2.298 20 0 BEADMP CC1CCC([NH2+]C[C@H](C2CC2)[NH+](C)C)CC1 ZINC000164442306 352753894 /nfs/dbraw/zinc/75/38/94/352753894.db2.gz LHVNEOUNTZEBKB-UXUKBGGZSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccncc1Cl ZINC000334237193 352855637 /nfs/dbraw/zinc/85/56/37/352855637.db2.gz LVCFBGYLRHATNQ-VHSXEESVSA-N 2 1 239.750 2.264 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccncc1Cl ZINC000334237193 352855639 /nfs/dbraw/zinc/85/56/39/352855639.db2.gz LVCFBGYLRHATNQ-VHSXEESVSA-N 2 1 239.750 2.264 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000300831788 188001681 /nfs/dbraw/zinc/00/16/81/188001681.db2.gz CCWIQMWOKXTLTP-XQQFMLRXSA-N 2 1 212.381 2.338 20 0 BEADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000300986630 188001966 /nfs/dbraw/zinc/00/19/66/188001966.db2.gz UXKYYFSLGMFCAQ-CHWSQXEVSA-N 2 1 212.381 2.339 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCSCC1 ZINC000336763301 188003477 /nfs/dbraw/zinc/00/34/77/188003477.db2.gz OZEYHTXJCOFPIQ-LLVKDONJSA-N 2 1 230.421 2.200 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCSCC1 ZINC000336763301 188003479 /nfs/dbraw/zinc/00/34/79/188003479.db2.gz OZEYHTXJCOFPIQ-LLVKDONJSA-N 2 1 230.421 2.200 20 0 BEADMP CC(C)[C@H](C[NH2+]C[C@@H]1C[C@H]1C)[NH+]1CCCC1 ZINC000336685308 187994665 /nfs/dbraw/zinc/99/46/65/187994665.db2.gz TYYHCCHHQMINLV-RDBSUJKOSA-N 2 1 224.392 2.352 20 0 BEADMP C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C1CC1 ZINC000336663053 188011515 /nfs/dbraw/zinc/01/15/15/188011515.db2.gz DTRACCJHCKOGMU-AWEZNQCLSA-N 2 1 222.376 2.204 20 0 BEADMP CC(C)[C@@](C)([NH2+]CC[C@@H]1CCC[N@H+]1C)C(N)=O ZINC000331344258 188046991 /nfs/dbraw/zinc/04/69/91/188046991.db2.gz LECTZHWCMOOBFF-WCQYABFASA-N 2 1 241.379 2.010 20 0 BEADMP CC(C)C[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336268402 188053844 /nfs/dbraw/zinc/05/38/44/188053844.db2.gz IAVNRIPBFNAGDD-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)C[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336268402 188053846 /nfs/dbraw/zinc/05/38/46/188053846.db2.gz IAVNRIPBFNAGDD-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)C[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336268402 188053847 /nfs/dbraw/zinc/05/38/47/188053847.db2.gz IAVNRIPBFNAGDD-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)([NH3+])C[NH2+]Cc1cccc2cccnc21 ZINC000261549205 535209434 /nfs/dbraw/zinc/20/94/34/535209434.db2.gz KEGLEVAZORQQNQ-UHFFFAOYSA-N 2 1 229.327 2.062 20 0 BEADMP c1coc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000250076331 353267409 /nfs/dbraw/zinc/26/74/09/353267409.db2.gz FGNAUCRMFISYLH-BFHYXJOUSA-N 2 1 234.343 2.290 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+]CC2(SC)CC2)C1 ZINC000336768647 353281556 /nfs/dbraw/zinc/28/15/56/353281556.db2.gz RDVAMBYRMFCXIC-GFCCVEGCSA-N 2 1 242.432 2.204 20 0 BEADMP Cc1nc(NC[C@@H](C2CC2)[NH+](C)C)c(C)c(C)[nH+]1 ZINC000301444247 188232798 /nfs/dbraw/zinc/23/27/98/188232798.db2.gz ORCDJIWVOAAWBR-ZDUSSCGKSA-N 2 1 248.374 2.154 20 0 BEADMP CC[C@@H](F)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353156907 188233355 /nfs/dbraw/zinc/23/33/55/188233355.db2.gz UCGIOCNOMCNYNG-FKJOKYEKSA-N 2 1 228.355 2.292 20 0 BEADMP C(C1CCCCC1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000031994524 188233634 /nfs/dbraw/zinc/23/36/34/188233634.db2.gz CMDIFNVECSBZAR-CQSZACIVSA-N 2 1 222.376 2.252 20 0 BEADMP C[C@@H]1CCC[C@H]([N@@H+](C)C[C@H]2CCC[NH2+]C2)C1 ZINC000251779856 353288040 /nfs/dbraw/zinc/28/80/40/353288040.db2.gz LCBANQWDZGQMCW-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H](C)C[NH2+][C@H](C)C[NH+](CC)CC ZINC000084517993 538114458 /nfs/dbraw/zinc/11/44/58/538114458.db2.gz QUYODGQBQPVHQX-NWDGAFQWSA-N 2 1 200.370 2.352 20 0 BEADMP C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)CC[C@H]1[NH3+] ZINC000251928019 353293450 /nfs/dbraw/zinc/29/34/50/353293450.db2.gz YMPMBDKWTYYQOB-IEOKHJKGSA-N 2 1 230.355 2.369 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@H]2C)C1 ZINC000252128732 353297003 /nfs/dbraw/zinc/29/70/03/353297003.db2.gz KLFHTYXLSZCLRG-HZSPNIEDSA-N 2 1 224.392 2.354 20 0 BEADMP CC(C)[C@H](C[NH2+][C@@H](C)C1CC1)[NH+]1CCCC1 ZINC000020200769 188285049 /nfs/dbraw/zinc/28/50/49/188285049.db2.gz JYHOCBNIJKQDRF-JSGCOSHPSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)[C@H]1C ZINC000252219722 353299216 /nfs/dbraw/zinc/29/92/16/353299216.db2.gz YRTHNYBSOKWNCL-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[C@H](CC)[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000309998803 188325491 /nfs/dbraw/zinc/32/54/91/188325491.db2.gz DDTAIMBKWHYDIY-QWRGUYRKSA-N 2 1 221.348 2.435 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]21 ZINC000230126773 353473698 /nfs/dbraw/zinc/47/36/98/353473698.db2.gz XBSFAUXONVIAPO-FRRDWIJNSA-N 2 1 236.384 2.307 20 0 BEADMP Fc1cccc2c1CC[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000336433654 181005855 /nfs/dbraw/zinc/00/58/55/181005855.db2.gz JVBZKNGZQUYHBT-GFCCVEGCSA-N 2 1 248.345 2.183 20 0 BEADMP Fc1cccc2c1CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000336433654 181005857 /nfs/dbraw/zinc/00/58/57/181005857.db2.gz JVBZKNGZQUYHBT-GFCCVEGCSA-N 2 1 248.345 2.183 20 0 BEADMP CC(C)C1(C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000639167916 354042480 /nfs/dbraw/zinc/04/24/80/354042480.db2.gz MVZOIWUVMACNGX-UHFFFAOYSA-N 2 1 212.381 2.306 20 0 BEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)C1CC(F)(F)C1 ZINC000529533237 324328004 /nfs/dbraw/zinc/32/80/04/324328004.db2.gz KAUYOLGOOSAXEH-VIFPVBQESA-N 2 1 232.318 2.104 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2OC)CC1 ZINC000038098205 358484661 /nfs/dbraw/zinc/48/46/61/358484661.db2.gz PJBUCCHUDCLEEX-KGLIPLIRSA-N 2 1 240.391 2.018 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)C[C@H](CC(C)C)OC ZINC000639175269 354194102 /nfs/dbraw/zinc/19/41/02/354194102.db2.gz KDZGVXZETPVWKV-AWEZNQCLSA-N 2 1 244.423 2.321 20 0 BEADMP C[NH+](C)[C@H]1CCC[N@@H+](CC2CC(F)(F)C2)CC1 ZINC000334582749 354202946 /nfs/dbraw/zinc/20/29/46/354202946.db2.gz OEJHPBVVMRLVCJ-LBPRGKRZSA-N 2 1 246.345 2.448 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H](OC)C1CC1 ZINC000639175800 354207103 /nfs/dbraw/zinc/20/71/03/354207103.db2.gz TUZIPKCOTPGZIG-AWEZNQCLSA-N 2 1 242.407 2.075 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCC[C@@H]2C2CC2)CC1 ZINC000344303874 354214583 /nfs/dbraw/zinc/21/45/83/354214583.db2.gz WOQDOQYJYXAVAG-CABCVRRESA-N 2 1 234.387 2.417 20 0 BEADMP CCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366862965 354244036 /nfs/dbraw/zinc/24/40/36/354244036.db2.gz DHXRFBAFGLBUCY-UHFFFAOYSA-N 2 1 210.365 2.204 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)C[C@](C)(CC)OC ZINC000639176216 354219995 /nfs/dbraw/zinc/21/99/95/354219995.db2.gz ZGYWLVPZTHJBPR-AWEZNQCLSA-N 2 1 244.423 2.465 20 0 BEADMP CCC[C@H](C[N@@H+](C)[C@H]1CCN(C)C[C@@H]1C)OC ZINC000639180427 354278537 /nfs/dbraw/zinc/27/85/37/354278537.db2.gz WSDMMQOMWOFQNG-MJBXVCDLSA-N 2 1 242.407 2.074 20 0 BEADMP CCC[C@H](C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)OC ZINC000639180427 354278540 /nfs/dbraw/zinc/27/85/40/354278540.db2.gz WSDMMQOMWOFQNG-MJBXVCDLSA-N 2 1 242.407 2.074 20 0 BEADMP CCC[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)OC ZINC000639180427 354278542 /nfs/dbraw/zinc/27/85/42/354278542.db2.gz WSDMMQOMWOFQNG-MJBXVCDLSA-N 2 1 242.407 2.074 20 0 BEADMP CCC[C@H](C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C)OC ZINC000639180427 354278544 /nfs/dbraw/zinc/27/85/44/354278544.db2.gz WSDMMQOMWOFQNG-MJBXVCDLSA-N 2 1 242.407 2.074 20 0 BEADMP CCC[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C)OC ZINC000639180427 354278546 /nfs/dbraw/zinc/27/85/46/354278546.db2.gz WSDMMQOMWOFQNG-MJBXVCDLSA-N 2 1 242.407 2.074 20 0 BEADMP CC(C)C1CC([NH2+]C2CC[NH+](C)CC2)C1 ZINC000232536392 363374701 /nfs/dbraw/zinc/37/47/01/363374701.db2.gz CANBDCRPAISVHC-UHFFFAOYSA-N 2 1 210.365 2.105 20 0 BEADMP CCC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000233336165 363399682 /nfs/dbraw/zinc/39/96/82/363399682.db2.gz LWNBUPILRFOOJA-RWMBFGLXSA-N 2 1 212.381 2.495 20 0 BEADMP Cc1ccc2c(C)cc(NCCCC[NH3+])[nH+]c2c1 ZINC000420226986 192180025 /nfs/dbraw/zinc/18/00/25/192180025.db2.gz BEZSJHRFFYGLMW-UHFFFAOYSA-N 2 1 243.354 2.424 20 0 BEADMP C[C@@H]([NH3+])C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000335229454 355071741 /nfs/dbraw/zinc/07/17/41/355071741.db2.gz FGOHWTAKSAVABB-PWSUYJOCSA-N 2 1 238.762 2.477 20 0 BEADMP c1ccc2ncc(C[NH2+]C3CC[NH2+]CC3)cc2c1 ZINC000335250166 355169721 /nfs/dbraw/zinc/16/97/21/355169721.db2.gz JIPOFSOHLAQVKC-UHFFFAOYSA-N 2 1 241.338 2.076 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCCOc2ccccc21)C1C[NH2+]C1 ZINC000335240703 355145727 /nfs/dbraw/zinc/14/57/27/355145727.db2.gz NNUNCWKCJBZMGS-BXUZGUMPSA-N 2 1 246.354 2.098 20 0 BEADMP C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CC(C)(C)[NH3+] ZINC000346986925 355187319 /nfs/dbraw/zinc/18/73/19/355187319.db2.gz PXRIRRZUVDYFKL-SMDDNHRTSA-N 2 1 248.370 2.048 20 0 BEADMP C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000346986925 355187323 /nfs/dbraw/zinc/18/73/23/355187323.db2.gz PXRIRRZUVDYFKL-SMDDNHRTSA-N 2 1 248.370 2.048 20 0 BEADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000346989554 355189480 /nfs/dbraw/zinc/18/94/80/355189480.db2.gz RTLYOWSUIVNMQK-STQMWFEESA-N 2 1 224.392 2.354 20 0 BEADMP CCC[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346997595 355196058 /nfs/dbraw/zinc/19/60/58/355196058.db2.gz XMERJWBPIGIDBO-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC[C@@H]1CCO1 ZINC000639241136 355225786 /nfs/dbraw/zinc/22/57/86/355225786.db2.gz BUMHJNQSJKIDOS-CYBMUJFWSA-N 2 1 240.391 2.020 20 0 BEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC[C@H]1CCO1 ZINC000639241137 355225855 /nfs/dbraw/zinc/22/58/55/355225855.db2.gz BUMHJNQSJKIDOS-ZDUSSCGKSA-N 2 1 240.391 2.020 20 0 BEADMP COCC[N@@H+](CCCc1cnccc1C)C1CC1 ZINC000347619963 355237369 /nfs/dbraw/zinc/23/73/69/355237369.db2.gz WXBZDMHIMXMSGQ-UHFFFAOYSA-N 2 1 248.370 2.433 20 0 BEADMP CC[C@H](C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1)OC ZINC000412975349 191346013 /nfs/dbraw/zinc/34/60/13/191346013.db2.gz FQWNLYLJSXVHRP-MGPQQGTHSA-N 2 1 242.407 2.216 20 0 BEADMP CC[C@H](C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1)OC ZINC000412975349 191346015 /nfs/dbraw/zinc/34/60/15/191346015.db2.gz FQWNLYLJSXVHRP-MGPQQGTHSA-N 2 1 242.407 2.216 20 0 BEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CC1(F)F ZINC000639245729 355275055 /nfs/dbraw/zinc/27/50/55/355275055.db2.gz BDXPBJKEAAFUSQ-MGMMNNENSA-N 2 1 244.329 2.245 20 0 BEADMP C[NH2+][C@H]1CCN(c2cc[nH+]c3ccsc32)C1 ZINC000335287378 355255691 /nfs/dbraw/zinc/25/56/91/355255691.db2.gz FFFDOLDRHLDRKA-VIFPVBQESA-N 2 1 233.340 2.094 20 0 BEADMP c1cc2[nH+]ccc(N3CCC[NH2+]CC3)c2s1 ZINC000335288337 355258162 /nfs/dbraw/zinc/25/81/62/355258162.db2.gz ZFCFMSIKJGEQIG-UHFFFAOYSA-N 2 1 233.340 2.096 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CS1 ZINC000639256769 355300229 /nfs/dbraw/zinc/30/02/29/355300229.db2.gz FQTDWRMVEBMJDF-UPJWGTAASA-N 2 1 242.432 2.202 20 0 BEADMP CC(C)[N@@H+](CC[C@@H]1CC[NH2+]C1)CC1CC1 ZINC000084385417 355360964 /nfs/dbraw/zinc/36/09/64/355360964.db2.gz DHNPASAMMKHCKC-LBPRGKRZSA-N 2 1 210.365 2.106 20 0 BEADMP COc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)ccc1C ZINC000414792466 191569682 /nfs/dbraw/zinc/56/96/82/191569682.db2.gz IWKDFTDHRQQYRJ-CYBMUJFWSA-N 2 1 236.359 2.077 20 0 BEADMP CC(C)([NH3+])C[NH2+]Cc1cc(F)cc2cccnc21 ZINC000414796692 191570752 /nfs/dbraw/zinc/57/07/52/191570752.db2.gz CFJFVMAGOBRQAW-UHFFFAOYSA-N 2 1 247.317 2.201 20 0 BEADMP CC(C)([NH3+])C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000414806028 191574921 /nfs/dbraw/zinc/57/49/21/191574921.db2.gz PMLHYXBECWZXJF-UHFFFAOYSA-N 2 1 230.714 2.306 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+]CCC[C@H]1CCO1 ZINC000639290881 355465657 /nfs/dbraw/zinc/46/56/57/355465657.db2.gz WNZFHFDCNZLEIC-AWEZNQCLSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[C@@H](C)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000415050914 191653221 /nfs/dbraw/zinc/65/32/21/191653221.db2.gz DWPPEYQLAXIPRK-GHMZBOCLSA-N 2 1 200.370 2.386 20 0 BEADMP C[C@@H](F)CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000352050005 134045805 /nfs/dbraw/zinc/04/58/05/134045805.db2.gz PHZKIIJNTKAAHR-VXGBXAGGSA-N 2 1 216.344 2.008 20 0 BEADMP C[C@@H](F)CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000352050005 134045806 /nfs/dbraw/zinc/04/58/06/134045806.db2.gz PHZKIIJNTKAAHR-VXGBXAGGSA-N 2 1 216.344 2.008 20 0 BEADMP C[C@@H](F)CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000352050005 134045807 /nfs/dbraw/zinc/04/58/07/134045807.db2.gz PHZKIIJNTKAAHR-VXGBXAGGSA-N 2 1 216.344 2.008 20 0 BEADMP CCc1ccccc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000215989509 355640815 /nfs/dbraw/zinc/64/08/15/355640815.db2.gz DVDAHRXMHABHPY-STQMWFEESA-N 2 1 232.371 2.418 20 0 BEADMP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]CCC[C@H]2CCO2)C1 ZINC000639305352 355667179 /nfs/dbraw/zinc/66/71/79/355667179.db2.gz PPBNEOGFOHCYDL-OLZOCXBDSA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]CCC[C@H]2CCO2)C1 ZINC000639305352 355667182 /nfs/dbraw/zinc/66/71/82/355667182.db2.gz PPBNEOGFOHCYDL-OLZOCXBDSA-N 2 1 240.391 2.018 20 0 BEADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3C=CCCC3)C2)C1 ZINC000335887762 355679581 /nfs/dbraw/zinc/67/95/81/355679581.db2.gz CFBLXFVFIGLAGK-ZIAGYGMSSA-N 2 1 220.360 2.123 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3C=CCCC3)C2)C1 ZINC000335887762 355679584 /nfs/dbraw/zinc/67/95/84/355679584.db2.gz CFBLXFVFIGLAGK-ZIAGYGMSSA-N 2 1 220.360 2.123 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3C=CCCC3)C2)C1 ZINC000335887762 355679587 /nfs/dbraw/zinc/67/95/87/355679587.db2.gz CFBLXFVFIGLAGK-ZIAGYGMSSA-N 2 1 220.360 2.123 20 0 BEADMP CC(C)=CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000191628201 355754569 /nfs/dbraw/zinc/75/45/69/355754569.db2.gz JLQQDYUZBHEUQP-UHFFFAOYSA-N 2 1 219.332 2.203 20 0 BEADMP CCC[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)OC ZINC000639347805 355795126 /nfs/dbraw/zinc/79/51/26/355795126.db2.gz QYOUJVSKGRARKJ-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CCC(=O)CCC[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000347745875 535291697 /nfs/dbraw/zinc/29/16/97/535291697.db2.gz IWUQFMVPKHCIEN-CYBMUJFWSA-N 2 1 240.391 2.019 20 0 BEADMP CCC(=O)CCC[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000347745875 535291699 /nfs/dbraw/zinc/29/16/99/535291699.db2.gz IWUQFMVPKHCIEN-CYBMUJFWSA-N 2 1 240.391 2.019 20 0 BEADMP CCC(=O)CCC[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000347745875 535291703 /nfs/dbraw/zinc/29/17/03/535291703.db2.gz IWUQFMVPKHCIEN-CYBMUJFWSA-N 2 1 240.391 2.019 20 0 BEADMP CCC(=O)CCC[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000347745875 535291706 /nfs/dbraw/zinc/29/17/06/535291706.db2.gz IWUQFMVPKHCIEN-CYBMUJFWSA-N 2 1 240.391 2.019 20 0 BEADMP CC[C@@]1(C)CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000399376571 355867661 /nfs/dbraw/zinc/86/76/61/355867661.db2.gz OBCPRJFPTMFAMU-OLZOCXBDSA-N 2 1 210.365 2.108 20 0 BEADMP Cc1ccc(CC[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000351861979 356098866 /nfs/dbraw/zinc/09/88/66/356098866.db2.gz MRYFCJPGDDJQNY-HIFRSBDPSA-N 2 1 232.371 2.207 20 0 BEADMP FCCCC[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000351889863 356153299 /nfs/dbraw/zinc/15/32/99/356153299.db2.gz LUBMOIFEXFJUHL-ZDUSSCGKSA-N 2 1 238.306 2.284 20 0 BEADMP [NH3+]CCCCNc1cc[nH+]c2ccc(Cl)cc12 ZINC000420235670 192182028 /nfs/dbraw/zinc/18/20/28/192182028.db2.gz OWYVAORVJLMPQH-UHFFFAOYSA-N 2 1 249.745 2.461 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000420281777 192200099 /nfs/dbraw/zinc/20/00/99/192200099.db2.gz AJWSCCZZTMMPFP-IHRRRGAJSA-N 2 1 240.391 2.005 20 0 BEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000420321213 192200347 /nfs/dbraw/zinc/20/03/47/192200347.db2.gz ZSZYPPZYGPUWIU-KBPBESRZSA-N 2 1 240.391 2.006 20 0 BEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCc1ccsc1 ZINC000420316218 192213468 /nfs/dbraw/zinc/21/34/68/192213468.db2.gz LTTGZTURKISMBO-DGCLKSJQSA-N 2 1 238.400 2.350 20 0 BEADMP C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000420334906 192213707 /nfs/dbraw/zinc/21/37/07/192213707.db2.gz GVUVEDINBJAJHD-TUVASFSCSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000420334906 192213708 /nfs/dbraw/zinc/21/37/08/192213708.db2.gz GVUVEDINBJAJHD-TUVASFSCSA-N 2 1 236.403 2.497 20 0 BEADMP C[N@@H+](CC[C@@H]1CCCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000420318412 192214048 /nfs/dbraw/zinc/21/40/48/192214048.db2.gz WBEQBIYRLQOHTG-KGLIPLIRSA-N 2 1 240.391 2.020 20 0 BEADMP Cc1cccc(C)c1OCC[N@H+](C)C1CC([NH3+])C1 ZINC000420331964 192215214 /nfs/dbraw/zinc/21/52/14/192215214.db2.gz MZEMVHPLOWRRFR-UHFFFAOYSA-N 2 1 248.370 2.104 20 0 BEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC[C@H]1CCCCO1 ZINC000420307715 192208720 /nfs/dbraw/zinc/20/87/20/192208720.db2.gz CDTUGCHEWSGGHJ-ZIAGYGMSSA-N 2 1 240.391 2.149 20 0 BEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000420312079 192210161 /nfs/dbraw/zinc/21/01/61/192210161.db2.gz OFMABVDNSYPIBH-LLVKDONJSA-N 2 1 249.358 2.113 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC000420312231 192210826 /nfs/dbraw/zinc/21/08/26/192210826.db2.gz RYRRBPFRLOPQTK-UWVGGRQHSA-N 2 1 238.297 2.388 20 0 BEADMP CC(C)[N@@H+](CC[C@H]1CC[NH2+]C1)C1CCC1 ZINC000420310441 192210889 /nfs/dbraw/zinc/21/08/89/192210889.db2.gz UYYYLTWSVSWCMS-GFCCVEGCSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC000420312233 192211073 /nfs/dbraw/zinc/21/10/73/192211073.db2.gz RYRRBPFRLOPQTK-ZJUUUORDSA-N 2 1 238.297 2.388 20 0 BEADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@@H](C)C2)cc1 ZINC000420317667 192212725 /nfs/dbraw/zinc/21/27/25/192212725.db2.gz NPZDNQOBOLFFPA-OCCSQVGLSA-N 2 1 248.370 2.079 20 0 BEADMP COCCCCC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420370139 192226764 /nfs/dbraw/zinc/22/67/64/192226764.db2.gz OQVZRKLCPMCVME-AWEZNQCLSA-N 2 1 242.407 2.300 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc1C ZINC000420370571 192227538 /nfs/dbraw/zinc/22/75/38/192227538.db2.gz JOXPGKXWNYVXDZ-VXGBXAGGSA-N 2 1 206.333 2.301 20 0 BEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCCC(F)(F)F ZINC000420326094 192230350 /nfs/dbraw/zinc/23/03/50/192230350.db2.gz XAWZREKVUNHOHL-UWVGGRQHSA-N 2 1 238.297 2.388 20 0 BEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCCC(F)(F)F ZINC000420326097 192230661 /nfs/dbraw/zinc/23/06/61/192230661.db2.gz XAWZREKVUNHOHL-VHSXEESVSA-N 2 1 238.297 2.388 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000420362881 192224395 /nfs/dbraw/zinc/22/43/95/192224395.db2.gz ZPLMEDFYPUEFPC-DCAQKATOSA-N 2 1 232.318 2.233 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000420362881 192224396 /nfs/dbraw/zinc/22/43/96/192224396.db2.gz ZPLMEDFYPUEFPC-DCAQKATOSA-N 2 1 232.318 2.233 20 0 BEADMP [NH3+]C[C@@H]([NH2+]CCC(F)(F)F)C1CCCCC1 ZINC000420363593 192224417 /nfs/dbraw/zinc/22/44/17/192224417.db2.gz PNBMMCRGGMYVEJ-SNVBAGLBSA-N 2 1 238.297 2.436 20 0 BEADMP CC[C@@H]1Cc2ccccc2C[N@H+]1CCC[NH2+]C ZINC000420365636 192224673 /nfs/dbraw/zinc/22/46/73/192224673.db2.gz SKCYICOJCIDCAW-OAHLLOKOSA-N 2 1 232.371 2.433 20 0 BEADMP [NH3+]C[C@@H]1C[N@@H+](CCCC2CCCC2)CCCO1 ZINC000420389674 192234636 /nfs/dbraw/zinc/23/46/36/192234636.db2.gz MHYGGKPXEDYSOQ-CQSZACIVSA-N 2 1 240.391 2.006 20 0 BEADMP CC[C@H](C)[N@H+]1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000420392619 192236321 /nfs/dbraw/zinc/23/63/21/192236321.db2.gz WDESQPRNOYGZEE-VHRBIJSZSA-N 2 1 236.334 2.351 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCCCCF ZINC000420375584 192231071 /nfs/dbraw/zinc/23/10/71/192231071.db2.gz TYUXZJYKCWQWIP-IJLUTSLNSA-N 2 1 216.344 2.102 20 0 BEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCc1ccccc1 ZINC000420378512 192233953 /nfs/dbraw/zinc/23/39/53/192233953.db2.gz XCIRRQCQZBVYNI-VNHYZAJKSA-N 2 1 232.371 2.205 20 0 BEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCc1ccccc1 ZINC000261563868 535308477 /nfs/dbraw/zinc/30/84/77/535308477.db2.gz CDWMWJAMHYJVGZ-CQSZACIVSA-N 2 1 220.360 2.192 20 0 BEADMP C[C@H]1Cc2ccccc2C[N@H+]1CCn1ccnc1 ZINC000179463334 366260480 /nfs/dbraw/zinc/26/04/80/366260480.db2.gz KIOHBOCDAOSVJF-ZDUSSCGKSA-N 2 1 241.338 2.330 20 0 BEADMP c1cc(N2CCC[N@H+](CC3CCC3)CC2)cc[nH+]1 ZINC000639681972 356592282 /nfs/dbraw/zinc/59/22/82/356592282.db2.gz CGOJUKKQXWQPTN-UHFFFAOYSA-N 2 1 245.370 2.394 20 0 BEADMP c1cc(N2CCC[N@H+](CC3CC3)CC2)cc[nH+]1 ZINC000639681962 356592578 /nfs/dbraw/zinc/59/25/78/356592578.db2.gz BNHKZISLGBUPII-UHFFFAOYSA-N 2 1 231.343 2.004 20 0 BEADMP C[C@H]1C[C@H]1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639685930 356601646 /nfs/dbraw/zinc/60/16/46/356601646.db2.gz ZEQBKHTXIBPSGD-KBPBESRZSA-N 2 1 245.370 2.250 20 0 BEADMP CCC(CC)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044535273 538466474 /nfs/dbraw/zinc/46/64/74/538466474.db2.gz DWGVKRYHPCDLEX-CYBMUJFWSA-N 2 1 212.381 2.354 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000070643709 325020141 /nfs/dbraw/zinc/02/01/41/325020141.db2.gz DSABJECGWJNNGA-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC000450410541 202158981 /nfs/dbraw/zinc/15/89/81/202158981.db2.gz ZELLQCUZULJREI-AWEZNQCLSA-N 2 1 222.376 2.370 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623341410 356741927 /nfs/dbraw/zinc/74/19/27/356741927.db2.gz AVRJWNSLIMUOCG-CMPLNLGQSA-N 2 1 210.365 2.247 20 0 BEADMP C[N@@H+](CC1CC(F)(F)C1)C[C@H]1CCC[NH+](C)C1 ZINC000450430638 202166328 /nfs/dbraw/zinc/16/63/28/202166328.db2.gz UAVKROHUMJEIFT-NSHDSACASA-N 2 1 246.345 2.305 20 0 BEADMP C[NH+](CC1CC(F)(F)C1)C[C@H]1CCC[N@H+](C)C1 ZINC000450430638 202166332 /nfs/dbraw/zinc/16/63/32/202166332.db2.gz UAVKROHUMJEIFT-NSHDSACASA-N 2 1 246.345 2.305 20 0 BEADMP C[NH+](CC1CC(F)(F)C1)C[C@H]1CCC[N@@H+](C)C1 ZINC000450430638 202166334 /nfs/dbraw/zinc/16/63/34/202166334.db2.gz UAVKROHUMJEIFT-NSHDSACASA-N 2 1 246.345 2.305 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623357486 356795098 /nfs/dbraw/zinc/79/50/98/356795098.db2.gz RIPIJAAQJCFTGN-WOPDTQHZSA-N 2 1 210.365 2.105 20 0 BEADMP CCc1cc(N2CC[N@@H+](C)[C@H](C(C)C)C2)cc[nH+]1 ZINC000450479461 202179398 /nfs/dbraw/zinc/17/93/98/202179398.db2.gz OIKIJCXSPODXET-HNNXBMFYSA-N 2 1 247.386 2.420 20 0 BEADMP CCc1cc(N2CC[N@H+](CC)C[C@@H]2C)cc[nH+]1 ZINC000450533122 202190621 /nfs/dbraw/zinc/19/06/21/202190621.db2.gz ZJFGJVNVPKPYEB-LBPRGKRZSA-N 2 1 233.359 2.174 20 0 BEADMP c1[nH+]c2c(n1CCC1CC[NH2+]CC1)CCCC2 ZINC000216904939 134177827 /nfs/dbraw/zinc/17/78/27/134177827.db2.gz MVLHKGWRIQTEEF-UHFFFAOYSA-N 2 1 233.359 2.152 20 0 BEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623375495 356894880 /nfs/dbraw/zinc/89/48/80/356894880.db2.gz PZFTWUNHJZWXSK-YPMHNXCESA-N 2 1 224.392 2.495 20 0 BEADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@H]1CCO[C@@H]1C ZINC000639865030 356955772 /nfs/dbraw/zinc/95/57/72/356955772.db2.gz NJJSVIFUMLGPKQ-CHWSQXEVSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@H]1CCO[C@@H]1C ZINC000639865030 356955774 /nfs/dbraw/zinc/95/57/74/356955774.db2.gz NJJSVIFUMLGPKQ-CHWSQXEVSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@@H]1CCO[C@H]1C ZINC000639865033 356955812 /nfs/dbraw/zinc/95/58/12/356955812.db2.gz NJJSVIFUMLGPKQ-STQMWFEESA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@@H]1CCO[C@H]1C ZINC000639865033 356955813 /nfs/dbraw/zinc/95/58/13/356955813.db2.gz NJJSVIFUMLGPKQ-STQMWFEESA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)[NH+]1CCC([NH2+]CC(C)(C)F)CC1 ZINC000631657324 357038735 /nfs/dbraw/zinc/03/87/35/357038735.db2.gz BFEUXCUBGARMIZ-UHFFFAOYSA-N 2 1 216.344 2.197 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2(C3CC3)CC2)CC[N@@H+]1C ZINC000389602808 357001273 /nfs/dbraw/zinc/00/12/73/357001273.db2.gz VXKWGMFKRMREAG-ZYHUDNBSSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2(C3CC3)CC2)CC[N@H+]1C ZINC000389602808 357001276 /nfs/dbraw/zinc/00/12/76/357001276.db2.gz VXKWGMFKRMREAG-ZYHUDNBSSA-N 2 1 208.349 2.001 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH2+]CC1(F)CC1 ZINC000390664108 357109803 /nfs/dbraw/zinc/10/98/03/357109803.db2.gz TTXPYDPHNOWVRJ-UHFFFAOYSA-N 2 1 225.311 2.063 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)F)[C@H](C)C1 ZINC000631659597 357190025 /nfs/dbraw/zinc/19/00/25/357190025.db2.gz RZNPZROMJYUSDJ-MNOVXSKESA-N 2 1 216.344 2.054 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)F)[C@H](C)C1 ZINC000631659597 357190029 /nfs/dbraw/zinc/19/00/29/357190029.db2.gz RZNPZROMJYUSDJ-MNOVXSKESA-N 2 1 216.344 2.054 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC000393802924 357300575 /nfs/dbraw/zinc/30/05/75/357300575.db2.gz UPCRDYUVFNVJHH-DGCLKSJQSA-N 2 1 224.392 2.352 20 0 BEADMP [NH3+]C[C@@H]([NH2+]C1C2CC3CC(C2)CC1C3)C1CC1 ZINC000423280464 192673119 /nfs/dbraw/zinc/67/31/19/192673119.db2.gz SQBJGFPWYNUSBY-DFOWJFBESA-N 2 1 234.387 2.138 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC(F)(F)F ZINC000063099443 357525996 /nfs/dbraw/zinc/52/59/96/357525996.db2.gz SFDKIKCLOXLEAA-UTLUCORTSA-N 2 1 238.297 2.257 20 0 BEADMP COC1CCC([NH2+]CCC[N@@H+](C)C(C)C)CC1 ZINC000230383614 357532469 /nfs/dbraw/zinc/53/24/69/357532469.db2.gz AAKPISNTIMOUTF-UHFFFAOYSA-N 2 1 242.407 2.264 20 0 BEADMP CCCCOCC[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000063196405 357593257 /nfs/dbraw/zinc/59/32/57/357593257.db2.gz NZMIFGFGABLXBG-OLZOCXBDSA-N 2 1 228.380 2.005 20 0 BEADMP CCCCOCC[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000063196405 357593261 /nfs/dbraw/zinc/59/32/61/357593261.db2.gz NZMIFGFGABLXBG-OLZOCXBDSA-N 2 1 228.380 2.005 20 0 BEADMP CC(C)CCOCC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231668613 357618852 /nfs/dbraw/zinc/61/88/52/357618852.db2.gz GZXFROHUJCLFMK-CQSZACIVSA-N 2 1 242.407 2.123 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC2(C)C)CC1(C)C ZINC000623417042 357868701 /nfs/dbraw/zinc/86/87/01/357868701.db2.gz QKKMFYJFBRKAKS-NEPJUHHUSA-N 2 1 224.392 2.495 20 0 BEADMP Cc1cccc(OCC[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000218482379 357925297 /nfs/dbraw/zinc/92/52/97/357925297.db2.gz NECPUYJBHXJNAD-KGLIPLIRSA-N 2 1 248.370 2.185 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C2CCCCC2)CC[N@@H+]1C ZINC000090720408 363595644 /nfs/dbraw/zinc/59/56/44/363595644.db2.gz HKTQAIPQZUROAC-AAEUAGOBSA-N 2 1 210.365 2.391 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C2CCCCC2)CC[N@H+]1C ZINC000090720408 363595652 /nfs/dbraw/zinc/59/56/52/363595652.db2.gz HKTQAIPQZUROAC-AAEUAGOBSA-N 2 1 210.365 2.391 20 0 BEADMP Cc1ncc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)s1 ZINC000090406292 491120299 /nfs/dbraw/zinc/12/02/99/491120299.db2.gz HCWIAQYEYVVXDS-VHSXEESVSA-N 2 1 241.404 2.442 20 0 BEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000076003687 325325303 /nfs/dbraw/zinc/32/53/03/325325303.db2.gz ZRKWVTOJHJSJDV-CYBMUJFWSA-N 2 1 212.381 2.306 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)(F)CC1 ZINC000640071274 358154598 /nfs/dbraw/zinc/15/45/98/358154598.db2.gz HNOVTVLYOYJMPR-GFCCVEGCSA-N 2 1 228.355 2.295 20 0 BEADMP C[C@@]1(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)CC[NH2+]C1 ZINC000226595327 358340693 /nfs/dbraw/zinc/34/06/93/358340693.db2.gz XUIRUNFHFATIGK-MELADBBJSA-N 2 1 222.376 2.251 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000226873716 358346666 /nfs/dbraw/zinc/34/66/66/358346666.db2.gz MMYZMMWCQQINKD-TZMCWYRMSA-N 2 1 218.344 2.307 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2C=CCCC2)C1 ZINC000173902838 134278259 /nfs/dbraw/zinc/27/82/59/134278259.db2.gz YVCXIVFZSRNSGZ-KGLIPLIRSA-N 2 1 222.376 2.369 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000173902838 134278260 /nfs/dbraw/zinc/27/82/60/134278260.db2.gz YVCXIVFZSRNSGZ-KGLIPLIRSA-N 2 1 222.376 2.369 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2CCC2)C1 ZINC000173887041 134278446 /nfs/dbraw/zinc/27/84/46/134278446.db2.gz SKOCIVBENXPSCT-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC000173887041 134278447 /nfs/dbraw/zinc/27/84/47/134278447.db2.gz SKOCIVBENXPSCT-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC000173887041 134278448 /nfs/dbraw/zinc/27/84/48/134278448.db2.gz SKOCIVBENXPSCT-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP CC[NH+]1CCC(CNc2cc(C)[nH+]c(C)n2)CC1 ZINC000044526365 358389897 /nfs/dbraw/zinc/38/98/97/358389897.db2.gz YVNVLUZMMRRILZ-UHFFFAOYSA-N 2 1 248.374 2.237 20 0 BEADMP C1CC1C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000130153320 358610713 /nfs/dbraw/zinc/61/07/13/358610713.db2.gz WPRNTUTZTOAJER-KBPBESRZSA-N 2 1 234.387 2.391 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccncc1 ZINC000049553107 358694299 /nfs/dbraw/zinc/69/42/99/358694299.db2.gz RAQMKHJUQLAECH-NWDGAFQWSA-N 2 1 221.348 2.072 20 0 BEADMP Cc1ccncc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000133419910 358754472 /nfs/dbraw/zinc/75/44/72/358754472.db2.gz XHYHSBIFMFCBAU-AWEZNQCLSA-N 2 1 235.375 2.195 20 0 BEADMP Cc1ccncc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000133419910 358754476 /nfs/dbraw/zinc/75/44/76/358754476.db2.gz XHYHSBIFMFCBAU-AWEZNQCLSA-N 2 1 235.375 2.195 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CCCC(F)(F)F)CC[N@H+]1C ZINC000132334865 358718633 /nfs/dbraw/zinc/71/86/33/358718633.db2.gz KESZLUBLUSPBQK-UWVGGRQHSA-N 2 1 238.297 2.401 20 0 BEADMP CC[C@@H](C)C[N@H+](CC[NH3+])Cc1ccccc1 ZINC000050424235 358729893 /nfs/dbraw/zinc/72/98/93/358729893.db2.gz SWGFIDQNSYJNKN-CYBMUJFWSA-N 2 1 220.360 2.493 20 0 BEADMP CC[C@@H](C)C[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000050424235 358729898 /nfs/dbraw/zinc/72/98/98/358729898.db2.gz SWGFIDQNSYJNKN-CYBMUJFWSA-N 2 1 220.360 2.493 20 0 BEADMP C[C@@H]1CCC[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC000134684917 358801195 /nfs/dbraw/zinc/80/11/95/358801195.db2.gz JVRWROJPYZEGMW-GFCCVEGCSA-N 2 1 222.376 2.345 20 0 BEADMP CCCCOc1ccc(C[NH2+][C@H](C)C[NH3+])cc1 ZINC000135257209 358827491 /nfs/dbraw/zinc/82/74/91/358827491.db2.gz VFIJKKXQZLQPJU-GFCCVEGCSA-N 2 1 236.359 2.302 20 0 BEADMP CC[C@@H](C)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246464457 359106512 /nfs/dbraw/zinc/10/65/12/359106512.db2.gz ZGLSWMYAQQSKGY-OLZOCXBDSA-N 2 1 212.381 2.306 20 0 BEADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)C ZINC000247136579 359196888 /nfs/dbraw/zinc/19/68/88/359196888.db2.gz QPQOCXBSLAJZDJ-JHJVBQTASA-N 2 1 242.407 2.120 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCCO2)CC1(C)C ZINC000623443991 359335068 /nfs/dbraw/zinc/33/50/68/359335068.db2.gz XNGCHOAUJMOBHC-GXTWGEPZSA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCS[C@@H](C)CC1 ZINC000379530566 359536378 /nfs/dbraw/zinc/53/63/78/359536378.db2.gz CJCXOFFQNDMWDE-NWDGAFQWSA-N 2 1 230.421 2.187 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCS[C@@H](C)CC1 ZINC000379530566 359536380 /nfs/dbraw/zinc/53/63/80/359536380.db2.gz CJCXOFFQNDMWDE-NWDGAFQWSA-N 2 1 230.421 2.187 20 0 BEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000132913220 491142129 /nfs/dbraw/zinc/14/21/29/491142129.db2.gz PDOAAVCEEHRMJR-WZRBSPASSA-N 2 1 210.365 2.105 20 0 BEADMP CCc1ccc(C[N@H+](C)CCC[NH2+]C)s1 ZINC000087472362 366599096 /nfs/dbraw/zinc/59/90/96/366599096.db2.gz JQGXZMTWWXAYPC-UHFFFAOYSA-N 2 1 226.389 2.352 20 0 BEADMP CCc1ccc(C[N@@H+](C)CCC[NH2+]C)s1 ZINC000087472362 366599100 /nfs/dbraw/zinc/59/91/00/366599100.db2.gz JQGXZMTWWXAYPC-UHFFFAOYSA-N 2 1 226.389 2.352 20 0 BEADMP c1ccc([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)nc1 ZINC000578596883 366604363 /nfs/dbraw/zinc/60/43/63/366604363.db2.gz TVUKTCMNIYMRTM-OAHLLOKOSA-N 2 1 245.370 2.218 20 0 BEADMP CC[C@H](c1ccccc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088249781 359942276 /nfs/dbraw/zinc/94/22/76/359942276.db2.gz BCXCOULHNIDEGW-QLFBSQMISA-N 2 1 230.355 2.289 20 0 BEADMP CCc1cc(NCC[C@@H]2CCC[NH2+]C2)nc(C)[nH+]1 ZINC000088760631 359977377 /nfs/dbraw/zinc/97/73/77/359977377.db2.gz CSMCMPYMLREJRX-LBPRGKRZSA-N 2 1 248.374 2.149 20 0 BEADMP c1ccc([C@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000089749383 360037278 /nfs/dbraw/zinc/03/72/78/360037278.db2.gz WEHQXUMYSGVZNU-HOCLYGCPSA-N 2 1 244.382 2.476 20 0 BEADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](CCCF)C1 ZINC000090004046 360053260 /nfs/dbraw/zinc/05/32/60/360053260.db2.gz KUILPHASIIXYBS-LBPRGKRZSA-N 2 1 239.338 2.034 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](C)CCCC(C)C ZINC000058851655 360365902 /nfs/dbraw/zinc/36/59/02/360365902.db2.gz RIMDVOXWRINAOC-GFCCVEGCSA-N 2 1 200.370 2.400 20 0 BEADMP Cc1ccc2ncc(CNCC(C)(C)F)n2c1 ZINC000631189771 360527563 /nfs/dbraw/zinc/52/75/63/360527563.db2.gz SUPDPEMCFSEVDU-UHFFFAOYSA-N 2 1 235.306 2.480 20 0 BEADMP CC1CC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000161804264 360610503 /nfs/dbraw/zinc/61/05/03/360610503.db2.gz CZKKEYFJCCWXLD-OLHXFANGSA-N 2 1 210.365 2.103 20 0 BEADMP CC[N@H+](CC[NH2+][C@H]1CC[C@@H]1C1CC1)C(C)C ZINC000309501671 491150442 /nfs/dbraw/zinc/15/04/42/491150442.db2.gz ZYNAXBMKRQPXJJ-KGLIPLIRSA-N 2 1 224.392 2.495 20 0 BEADMP CC[N@@H+](CC[NH2+][C@H]1CC[C@@H]1C1CC1)C(C)C ZINC000309501671 491150443 /nfs/dbraw/zinc/15/04/43/491150443.db2.gz ZYNAXBMKRQPXJJ-KGLIPLIRSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414665786 200757483 /nfs/dbraw/zinc/75/74/83/200757483.db2.gz VXUYPEYEBPPIFM-UKMLZYKCSA-N 2 1 244.382 2.459 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@@H](C)C2)CC[NH2+]1 ZINC000414765494 219881804 /nfs/dbraw/zinc/88/18/04/219881804.db2.gz ZXXREUTUXGURLN-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)Cc1cccs1 ZINC000629389850 361036746 /nfs/dbraw/zinc/03/67/46/361036746.db2.gz CDZXWQHMQYDJNF-KGYLQXTDSA-N 2 1 238.400 2.409 20 0 BEADMP CC[C@@H](C[NH2+][C@H](C)C[NH3+])c1ccccc1 ZINC000161997343 361074554 /nfs/dbraw/zinc/07/45/54/361074554.db2.gz UGDLPLMACHWCGH-NEPJUHHUSA-N 2 1 206.333 2.117 20 0 BEADMP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H](C)C1(F)F ZINC000629497105 361099597 /nfs/dbraw/zinc/09/95/97/361099597.db2.gz VEIFAOGHTAJTCO-PHIMTYICSA-N 2 1 246.345 2.209 20 0 BEADMP CCC[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)OCC ZINC000629515882 361109927 /nfs/dbraw/zinc/10/99/27/361109927.db2.gz VTXDUMGRXNGFCR-BFHYXJOUSA-N 2 1 242.407 2.312 20 0 BEADMP CCC[C@H](C)CCC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000629515996 361109988 /nfs/dbraw/zinc/10/99/88/361109988.db2.gz YUEYLDTZTDDQKC-MJBXVCDLSA-N 2 1 242.407 2.251 20 0 BEADMP CCC[C@H](C)CCC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000629515996 361109991 /nfs/dbraw/zinc/10/99/91/361109991.db2.gz YUEYLDTZTDDQKC-MJBXVCDLSA-N 2 1 242.407 2.251 20 0 BEADMP CCC[C@@H](C)CCC[N@@H+](C)CCC[NH3+] ZINC000629515006 361112952 /nfs/dbraw/zinc/11/29/52/361112952.db2.gz OTOYFQQLSMUJJE-GFCCVEGCSA-N 2 1 200.370 2.483 20 0 BEADMP Cc1nc(C(C)C)ccc1C[N@H+](C)C1CC([NH3+])C1 ZINC000629532827 361156307 /nfs/dbraw/zinc/15/63/07/361156307.db2.gz VGYIMXKLOUQYEL-UHFFFAOYSA-N 2 1 247.386 2.435 20 0 BEADMP Cc1nc(C(C)C)ccc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000629532827 361156311 /nfs/dbraw/zinc/15/63/11/361156311.db2.gz VGYIMXKLOUQYEL-UHFFFAOYSA-N 2 1 247.386 2.435 20 0 BEADMP CCSCC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000158584728 361204722 /nfs/dbraw/zinc/20/47/22/361204722.db2.gz LQPVYOPCANNBLS-NSHDSACASA-N 2 1 218.410 2.045 20 0 BEADMP CCOCC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530960 361301942 /nfs/dbraw/zinc/30/19/42/361301942.db2.gz JTCGLDCNATUCMR-UHFFFAOYSA-N 2 1 242.407 2.221 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000429043305 201060384 /nfs/dbraw/zinc/06/03/84/201060384.db2.gz FFMPXNJTYDYNKW-ZDUSSCGKSA-N 2 1 212.381 2.306 20 0 BEADMP CCSCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429555284 201113609 /nfs/dbraw/zinc/11/36/09/201113609.db2.gz VYFHVYAVIWGZPQ-LBPRGKRZSA-N 2 1 230.421 2.156 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C1CCSCC1 ZINC000629543350 361421742 /nfs/dbraw/zinc/42/17/42/361421742.db2.gz YYDYNPNUHGQMML-WZRBSPASSA-N 2 1 242.432 2.248 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC23CCC3)C[NH2+]1 ZINC000629543027 361421808 /nfs/dbraw/zinc/42/18/08/361421808.db2.gz RIHIWJQMNOZSNY-GRYCIOLGSA-N 2 1 208.349 2.049 20 0 BEADMP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H](C)C1(F)F ZINC000629554152 361439845 /nfs/dbraw/zinc/43/98/45/361439845.db2.gz ZINSNLOLPXMIFK-GRYCIOLGSA-N 2 1 246.345 2.209 20 0 BEADMP C[C@H](c1ccccn1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585100 361473267 /nfs/dbraw/zinc/47/32/67/361473267.db2.gz KALDFBZKEKEQFA-YUELXQCFSA-N 2 1 245.370 2.074 20 0 BEADMP C[C@H](c1ccccn1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585100 361473272 /nfs/dbraw/zinc/47/32/72/361473272.db2.gz KALDFBZKEKEQFA-YUELXQCFSA-N 2 1 245.370 2.074 20 0 BEADMP CC[C@@H](C[NH2+][C@H](C)C(C)C)[NH+]1CCCC1 ZINC000151669392 201164994 /nfs/dbraw/zinc/16/49/94/201164994.db2.gz KNQFRXPGOHHOLR-OLZOCXBDSA-N 2 1 212.381 2.495 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H]2C(C)C)C1 ZINC000309966767 491158597 /nfs/dbraw/zinc/15/85/97/491158597.db2.gz NVEILGGYULBHNL-MCIONIFRSA-N 2 1 224.392 2.352 20 0 BEADMP CS[C@@H]1CC[N@@H+](CCCn2ccnc2C)C1 ZINC000448545862 201197746 /nfs/dbraw/zinc/19/77/46/201197746.db2.gz NTMPGAUZMUNMNO-GFCCVEGCSA-N 2 1 239.388 2.019 20 0 BEADMP CS[C@@H]1CC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000448545862 201197749 /nfs/dbraw/zinc/19/77/49/201197749.db2.gz NTMPGAUZMUNMNO-GFCCVEGCSA-N 2 1 239.388 2.019 20 0 BEADMP CS[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000448545862 201197752 /nfs/dbraw/zinc/19/77/52/201197752.db2.gz NTMPGAUZMUNMNO-GFCCVEGCSA-N 2 1 239.388 2.019 20 0 BEADMP C[N@@H+](CCOC(C)(C)C)C[C@H]1CCC[NH+](C)C1 ZINC000152434665 201198959 /nfs/dbraw/zinc/19/89/59/201198959.db2.gz RDSKIKHTCINYKK-ZDUSSCGKSA-N 2 1 242.407 2.075 20 0 BEADMP CNc1ccc([NH2+]CC2CC[NH2+]CC2)cc1 ZINC000629656986 361561629 /nfs/dbraw/zinc/56/16/29/361561629.db2.gz SHALMGFVSNFFPU-UHFFFAOYSA-N 2 1 219.332 2.140 20 0 BEADMP C[C@H]1C[C@@H](C[N@H+]2CCCC(F)(F)CC2)CC[NH2+]1 ZINC000629652792 361551152 /nfs/dbraw/zinc/55/11/52/361551152.db2.gz BIOVLGAXYBWQNA-RYUDHWBXSA-N 2 1 246.345 2.496 20 0 BEADMP C[C@H](C[NH2+]CC[NH2+]C(C)(C)C)c1ccncc1 ZINC000629654215 361554587 /nfs/dbraw/zinc/55/45/87/361554587.db2.gz CMKKUKIAPKYEOH-GFCCVEGCSA-N 2 1 235.375 2.163 20 0 BEADMP CC(C)(C)CC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629666140 361587601 /nfs/dbraw/zinc/58/76/01/361587601.db2.gz MTODKNXQWWVPCR-OKILXGFUSA-N 2 1 224.392 2.354 20 0 BEADMP CC(C)C1([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000448552583 201242516 /nfs/dbraw/zinc/24/25/16/201242516.db2.gz LGUDZDQTMMEWSJ-UHFFFAOYSA-N 2 1 222.376 2.391 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000435377070 201264758 /nfs/dbraw/zinc/26/47/58/201264758.db2.gz XUHHPSSGITZWTN-GDBMZVCRSA-N 2 1 246.398 2.407 20 0 BEADMP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000435370289 201264804 /nfs/dbraw/zinc/26/48/04/201264804.db2.gz HZWIENKBJAPESN-ZFWWWQNUSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@H]1C[NH3+] ZINC000435370289 201264806 /nfs/dbraw/zinc/26/48/06/201264806.db2.gz HZWIENKBJAPESN-ZFWWWQNUSA-N 2 1 232.371 2.288 20 0 BEADMP CC[N@H+](Cc1cncs1)[C@@H]1CCC[NH2+]CC1 ZINC000435378342 201264878 /nfs/dbraw/zinc/26/48/78/201264878.db2.gz DDGVDJFXLCPCCF-LLVKDONJSA-N 2 1 239.388 2.107 20 0 BEADMP CC[N@@H+](Cc1cncs1)[C@@H]1CCC[NH2+]CC1 ZINC000435378342 201264879 /nfs/dbraw/zinc/26/48/79/201264879.db2.gz DDGVDJFXLCPCCF-LLVKDONJSA-N 2 1 239.388 2.107 20 0 BEADMP CC[N@H+](Cc1cncs1)[C@H]1CCC[NH2+]CC1 ZINC000435378343 201266089 /nfs/dbraw/zinc/26/60/89/201266089.db2.gz DDGVDJFXLCPCCF-NSHDSACASA-N 2 1 239.388 2.107 20 0 BEADMP CC[N@@H+](Cc1cncs1)[C@H]1CCC[NH2+]CC1 ZINC000435378343 201266091 /nfs/dbraw/zinc/26/60/91/201266091.db2.gz DDGVDJFXLCPCCF-NSHDSACASA-N 2 1 239.388 2.107 20 0 BEADMP CC[N@@H+](CCc1cccnc1)[C@@H]1CCC[NH2+]CC1 ZINC000435623517 201278703 /nfs/dbraw/zinc/27/87/03/201278703.db2.gz HDVGWZZUXPPQOU-OAHLLOKOSA-N 2 1 247.386 2.088 20 0 BEADMP C[NH2+]CCC[NH2+][C@H](c1ncccc1C)C(C)C ZINC000435885316 201290996 /nfs/dbraw/zinc/29/09/96/201290996.db2.gz IOMVSOARINBSBY-ZDUSSCGKSA-N 2 1 235.375 2.286 20 0 BEADMP [NH3+]C1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000124395292 181343223 /nfs/dbraw/zinc/34/32/23/181343223.db2.gz UWIVPDHTQQEIMX-UHFFFAOYSA-N 2 1 224.270 2.142 20 0 BEADMP C[NH2+]CCC[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000435879357 201292397 /nfs/dbraw/zinc/29/23/97/201292397.db2.gz JPFYYYCEZVFKEA-HIFRSBDPSA-N 2 1 232.371 2.474 20 0 BEADMP C[NH2+]CCC[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000435879359 201292879 /nfs/dbraw/zinc/29/28/79/201292879.db2.gz JPFYYYCEZVFKEA-ZFWWWQNUSA-N 2 1 232.371 2.474 20 0 BEADMP C[NH+](C)CCC[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436284750 201318821 /nfs/dbraw/zinc/31/88/21/201318821.db2.gz ZDYMWFWJZMDJGQ-UHFFFAOYSA-N 2 1 249.333 2.348 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C1CCCC1 ZINC000398952619 364279290 /nfs/dbraw/zinc/27/92/90/364279290.db2.gz FHDLECDDSUYUDF-MDZLAQPJSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000398958529 364280583 /nfs/dbraw/zinc/28/05/83/364280583.db2.gz KHFMBHIDFPGSFM-MROQNXINSA-N 2 1 210.365 2.295 20 0 BEADMP C[NH2+]CCC[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000573355062 364808953 /nfs/dbraw/zinc/80/89/53/364808953.db2.gz DQSKYCVVULKRIA-GFCCVEGCSA-N 2 1 236.359 2.264 20 0 BEADMP CC[C@@H](C)[C@@H](C)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000168265771 364892623 /nfs/dbraw/zinc/89/26/23/364892623.db2.gz VCBVNGZKHKZOOT-CHWSQXEVSA-N 2 1 242.407 2.121 20 0 BEADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)CCOC)C1 ZINC000446788797 541391428 /nfs/dbraw/zinc/39/14/28/541391428.db2.gz ZIIAFQBUEKTEAG-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2Cc3ccccc32)CC[N@H+]1C ZINC000247118871 541416070 /nfs/dbraw/zinc/41/60/70/541416070.db2.gz UJPRUQVFDISSBM-YUELXQCFSA-N 2 1 244.382 2.399 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000168493632 364941428 /nfs/dbraw/zinc/94/14/28/364941428.db2.gz NJYPBLKGXSXSQP-GHMZBOCLSA-N 2 1 238.400 2.480 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1ccc(OCC2CC2)cc1 ZINC000573966348 364955858 /nfs/dbraw/zinc/95/58/58/364955858.db2.gz VATYKHDCRAIOGT-UHFFFAOYSA-N 2 1 248.370 2.256 20 0 BEADMP [NH3+]CCC[N@@H+](CC1CC1)C1CCCCC1 ZINC000036765324 181380058 /nfs/dbraw/zinc/38/00/58/181380058.db2.gz YEXHZRJGGLWHTL-UHFFFAOYSA-N 2 1 210.365 2.380 20 0 BEADMP [NH3+]CCC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000034492708 181381350 /nfs/dbraw/zinc/38/13/50/181381350.db2.gz PLCSEZLEEKMIDY-CYBMUJFWSA-N 2 1 204.317 2.172 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000574482996 365073205 /nfs/dbraw/zinc/07/32/05/365073205.db2.gz DZYVMOQKXHKLOK-MQYQWHSLSA-N 2 1 242.407 2.261 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000574482996 365073207 /nfs/dbraw/zinc/07/32/07/365073207.db2.gz DZYVMOQKXHKLOK-MQYQWHSLSA-N 2 1 242.407 2.261 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+]CC2(C)CC2)C1 ZINC000574617154 365102435 /nfs/dbraw/zinc/10/24/35/365102435.db2.gz YVDCOPZBLNSLFZ-GFCCVEGCSA-N 2 1 210.365 2.108 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000575197934 365239009 /nfs/dbraw/zinc/23/90/09/365239009.db2.gz RJOHMYOFTQJNCL-BARDWOONSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1ccc(CCC[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cn1 ZINC000575759705 365356876 /nfs/dbraw/zinc/35/68/76/365356876.db2.gz WAGCUYXBEXTTHE-DZGCQCFKSA-N 2 1 247.386 2.134 20 0 BEADMP Cc1ccc(CCC[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cn1 ZINC000575759706 365356960 /nfs/dbraw/zinc/35/69/60/365356960.db2.gz WAGCUYXBEXTTHE-HIFRSBDPSA-N 2 1 247.386 2.134 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C(C)(C)C1 ZINC000380504658 367226143 /nfs/dbraw/zinc/22/61/43/367226143.db2.gz IDPWOPIMJBAKRU-AVGNSLFASA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)C[C@H](N)C[N@H+]1C[C@H](C)CC1(C)C ZINC000380576896 367245720 /nfs/dbraw/zinc/24/57/20/367245720.db2.gz VIWIKQWORONPNJ-NEPJUHHUSA-N 2 1 212.381 2.480 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000581059619 367248368 /nfs/dbraw/zinc/24/83/68/367248368.db2.gz QBIPOJLQPKDINJ-LLVKDONJSA-N 2 1 228.286 2.451 20 0 BEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001642341687 1172349655 /nfs/dbraw/zinc/34/96/55/1172349655.db2.gz QMUIKDUAGMHZPM-UTUOFQBUSA-N 2 1 244.329 2.058 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001642341687 1172349662 /nfs/dbraw/zinc/34/96/62/1172349662.db2.gz QMUIKDUAGMHZPM-UTUOFQBUSA-N 2 1 244.329 2.058 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001642341687 1172349668 /nfs/dbraw/zinc/34/96/68/1172349668.db2.gz QMUIKDUAGMHZPM-UTUOFQBUSA-N 2 1 244.329 2.058 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001642341687 1172349671 /nfs/dbraw/zinc/34/96/71/1172349671.db2.gz QMUIKDUAGMHZPM-UTUOFQBUSA-N 2 1 244.329 2.058 20 0 BEADMP CC[C@@H]1[C@@H](C)CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000384026594 367669825 /nfs/dbraw/zinc/66/98/25/367669825.db2.gz YEZMKPBYPQIIJL-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000384156549 367673259 /nfs/dbraw/zinc/67/32/59/367673259.db2.gz LPKOOOMJKVLJIL-ZOBORPQBSA-N 2 1 224.392 2.495 20 0 BEADMP CC/C=C\C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000384889885 367752045 /nfs/dbraw/zinc/75/20/45/367752045.db2.gz SZQBPCLDVKAEIE-JXLSXLBDSA-N 2 1 208.349 2.169 20 0 BEADMP CC/C=C\C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000384889883 367752309 /nfs/dbraw/zinc/75/23/09/367752309.db2.gz SZQBPCLDVKAEIE-FGTRRKKMSA-N 2 1 208.349 2.169 20 0 BEADMP C[N@@H+](Cc1ccc2c(c1)CCC2)C1CC([NH3+])C1 ZINC000385023820 367774077 /nfs/dbraw/zinc/77/40/77/367774077.db2.gz OVSBXCVZAZXALA-UHFFFAOYSA-N 2 1 230.355 2.097 20 0 BEADMP CC(C)(C)CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385283589 367816243 /nfs/dbraw/zinc/81/62/43/367816243.db2.gz AQEWUYVVPFRODY-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)(C)CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385283589 367816249 /nfs/dbraw/zinc/81/62/49/367816249.db2.gz AQEWUYVVPFRODY-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]([N@@H+](C)CC[C@H]1CCC[NH2+]C1)C1(C)CC1 ZINC000385417289 367827384 /nfs/dbraw/zinc/82/73/84/367827384.db2.gz ZHKIHCMJHOJTFF-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@@H+](CCC1CC1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000385489127 367835218 /nfs/dbraw/zinc/83/52/18/367835218.db2.gz DXBFFHYIWKLTDL-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH2+][C@H]1CC[N@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000566226562 326018372 /nfs/dbraw/zinc/01/83/72/326018372.db2.gz ZBEDVDNWUYPQLE-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP C[NH2+][C@H]1CC[N@@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000566226562 326018373 /nfs/dbraw/zinc/01/83/73/326018373.db2.gz ZBEDVDNWUYPQLE-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]([NH2+]CCC(C)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000386047411 367903102 /nfs/dbraw/zinc/90/31/02/367903102.db2.gz URHOPMCPHCTSSN-UWVGGRQHSA-N 2 1 220.307 2.152 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCCCS1)[C@@H]1CCCC[NH2+]1 ZINC000386578525 367995733 /nfs/dbraw/zinc/99/57/33/367995733.db2.gz NXZCDPAUSGAECU-AVGNSLFASA-N 2 1 242.432 2.392 20 0 BEADMP CC(C)SCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386589768 367998815 /nfs/dbraw/zinc/99/88/15/367998815.db2.gz QZAMCJWUKYGCJW-NEPJUHHUSA-N 2 1 230.421 2.248 20 0 BEADMP Cc1ccc(F)c(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000084946303 368860884 /nfs/dbraw/zinc/86/08/84/368860884.db2.gz KBKFOPCHMSZXOR-WCQYABFASA-N 2 1 236.334 2.446 20 0 BEADMP Cc1ccc(F)c(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000084946303 368860889 /nfs/dbraw/zinc/86/08/89/368860889.db2.gz KBKFOPCHMSZXOR-WCQYABFASA-N 2 1 236.334 2.446 20 0 BEADMP c1ccc2c(c1)CCC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000089749454 368952634 /nfs/dbraw/zinc/95/26/34/368952634.db2.gz KGRJRGUZHNYRDU-CQSZACIVSA-N 2 1 244.382 2.434 20 0 BEADMP c1ccc2c(c1)CCC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000089749453 368953191 /nfs/dbraw/zinc/95/31/91/368953191.db2.gz KGRJRGUZHNYRDU-AWEZNQCLSA-N 2 1 244.382 2.434 20 0 BEADMP Cc1ccncc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656835 368996072 /nfs/dbraw/zinc/99/60/72/368996072.db2.gz CUYRIARJVAYNIM-AWEZNQCLSA-N 2 1 247.386 2.212 20 0 BEADMP Cc1ccncc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623656835 368996080 /nfs/dbraw/zinc/99/60/80/368996080.db2.gz CUYRIARJVAYNIM-AWEZNQCLSA-N 2 1 247.386 2.212 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@H]1C[C@H]1C ZINC000623657272 368997504 /nfs/dbraw/zinc/99/75/04/368997504.db2.gz MNZNXGOUYWTIMB-RQJABVFESA-N 2 1 224.392 2.352 20 0 BEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000623656991 368997589 /nfs/dbraw/zinc/99/75/89/368997589.db2.gz HHZAHOAAHCZMRE-OLZOCXBDSA-N 2 1 242.432 2.204 20 0 BEADMP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657094 368998080 /nfs/dbraw/zinc/99/80/80/368998080.db2.gz JRBYVINUVSXNDU-KGLIPLIRSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@@H](C)C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657779 368998802 /nfs/dbraw/zinc/99/88/02/368998802.db2.gz YXPRIKOCMUWOGH-OLZOCXBDSA-N 2 1 212.381 2.354 20 0 BEADMP Cc1ccccc1C[NH2+]CCC[NH+]1CCC1 ZINC000309838237 326170522 /nfs/dbraw/zinc/17/05/22/326170522.db2.gz BXOHEPYXIKOZAY-UHFFFAOYSA-N 2 1 218.344 2.180 20 0 BEADMP [NH3+]C[C@@H]([NH2+]C[C@H]1CCCCO1)C1CCCCC1 ZINC000631826971 368989625 /nfs/dbraw/zinc/98/96/25/368989625.db2.gz BFKFBGTVEYKQDQ-ZIAGYGMSSA-N 2 1 240.391 2.053 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000631827046 368991232 /nfs/dbraw/zinc/99/12/32/368991232.db2.gz DDQAWEPCCKRAFV-WYUUTHIRSA-N 2 1 246.345 2.398 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000623655836 368991424 /nfs/dbraw/zinc/99/14/24/368991424.db2.gz GZPJSKKWKHMYDS-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)nc1 ZINC000623656502 368993993 /nfs/dbraw/zinc/99/39/93/368993993.db2.gz VPYMAQZGBTWMES-CQSZACIVSA-N 2 1 247.386 2.212 20 0 BEADMP Cc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)nc1 ZINC000623656502 368993997 /nfs/dbraw/zinc/99/39/97/368993997.db2.gz VPYMAQZGBTWMES-CQSZACIVSA-N 2 1 247.386 2.212 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837384 369093891 /nfs/dbraw/zinc/09/38/91/369093891.db2.gz BADIHTYRQLVLSP-DGCLKSJQSA-N 2 1 236.334 2.161 20 0 BEADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1cccnc1 ZINC000567490135 326203941 /nfs/dbraw/zinc/20/39/41/326203941.db2.gz UQPVGULIYRKDES-GFCCVEGCSA-N 2 1 221.348 2.120 20 0 BEADMP CC(C)[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC000201324679 369386715 /nfs/dbraw/zinc/38/67/15/369386715.db2.gz SXOADAHNMMFAGX-UHFFFAOYSA-N 2 1 212.381 2.447 20 0 BEADMP FC1(CC[NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000459562639 203301939 /nfs/dbraw/zinc/30/19/39/203301939.db2.gz OFDFOQKMWSOKQW-UHFFFAOYSA-N 2 1 240.366 2.485 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H](OC(C)C)C2)CC1 ZINC000459633501 203322906 /nfs/dbraw/zinc/32/29/06/203322906.db2.gz NDQLPXNPIDCIMQ-OKILXGFUSA-N 2 1 240.391 2.016 20 0 BEADMP COc1cccc(CCC[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC000631858611 369441128 /nfs/dbraw/zinc/44/11/28/369441128.db2.gz BHAXWJPNJHOXKC-OCCSQVGLSA-N 2 1 248.370 2.049 20 0 BEADMP COc1cccc(CCC[N@H+]2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC000631858611 369441136 /nfs/dbraw/zinc/44/11/36/369441136.db2.gz BHAXWJPNJHOXKC-OCCSQVGLSA-N 2 1 248.370 2.049 20 0 BEADMP COc1cccc(CCC[N@H+]2C[C@H](N)C[C@@H]2C)c1 ZINC000631858609 369443518 /nfs/dbraw/zinc/44/35/18/369443518.db2.gz BHAXWJPNJHOXKC-GXTWGEPZSA-N 2 1 248.370 2.049 20 0 BEADMP COc1cccc(CCC[N@@H+]2C[C@H]([NH3+])C[C@@H]2C)c1 ZINC000631858609 369443520 /nfs/dbraw/zinc/44/35/20/369443520.db2.gz BHAXWJPNJHOXKC-GXTWGEPZSA-N 2 1 248.370 2.049 20 0 BEADMP COc1cccc(CCC[N@H+]2C[C@H]([NH3+])C[C@@H]2C)c1 ZINC000631858609 369443523 /nfs/dbraw/zinc/44/35/23/369443523.db2.gz BHAXWJPNJHOXKC-GXTWGEPZSA-N 2 1 248.370 2.049 20 0 BEADMP C[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459730292 203345664 /nfs/dbraw/zinc/34/56/64/203345664.db2.gz KDTKJUNAPPZDIW-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000459737342 203346972 /nfs/dbraw/zinc/34/69/72/203346972.db2.gz QYFSBWACOJJVCO-ZIAGYGMSSA-N 2 1 247.386 2.464 20 0 BEADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000459779700 203365956 /nfs/dbraw/zinc/36/59/56/203365956.db2.gz LNDYZWCONYDWEF-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CC(C)(C)C2)C1 ZINC000459780976 203367558 /nfs/dbraw/zinc/36/75/58/203367558.db2.gz MEKJZBZXWOZNPF-GFCCVEGCSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)[C@H]1C ZINC000459783933 203368348 /nfs/dbraw/zinc/36/83/48/203368348.db2.gz NMJWWDMVZUDEFV-RFGFWPKPSA-N 2 1 224.392 2.352 20 0 BEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H]2CCSC2)C1 ZINC000459794364 203369187 /nfs/dbraw/zinc/36/91/87/203369187.db2.gz UMBJWLKKCMPLEN-STQMWFEESA-N 2 1 242.432 2.061 20 0 BEADMP C[C@@H]1CCC[C@@H]([N@@H+](C)CC[C@H]2CC[NH2+]C2)C1 ZINC000251724765 369913190 /nfs/dbraw/zinc/91/31/90/369913190.db2.gz IRNIRGJUUPXTHA-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP C(C[NH2+]C1CCC2(CC2)CC1)C[NH+]1CCC1 ZINC000568413848 326355891 /nfs/dbraw/zinc/35/58/91/326355891.db2.gz SSABFQYINPXKSF-UHFFFAOYSA-N 2 1 222.376 2.395 20 0 BEADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CC1CCCCC1)C2 ZINC000621777651 370527448 /nfs/dbraw/zinc/52/74/48/370527448.db2.gz DJBVHYATJHXSHZ-UONOGXRCSA-N 2 1 222.376 2.380 20 0 BEADMP CCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120033 371319982 /nfs/dbraw/zinc/31/99/82/371319982.db2.gz QEFGPVZCTRNONB-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000624123890 371324240 /nfs/dbraw/zinc/32/42/40/371324240.db2.gz SNBGIOCXBXMITM-BARDWOONSA-N 2 1 236.403 2.497 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)F)[C@@H]2CCC[C@@H]21 ZINC000631665965 372491108 /nfs/dbraw/zinc/49/11/08/372491108.db2.gz ZWTNVFBMOAAQNR-SRVKXCTJSA-N 2 1 228.355 2.197 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)F)[C@H]2CCC[C@H]21 ZINC000631665961 372491290 /nfs/dbraw/zinc/49/12/90/372491290.db2.gz ZWTNVFBMOAAQNR-GRYCIOLGSA-N 2 1 228.355 2.197 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@H](C[NH3+])C(C)(C)C)c(C)n1 ZINC000631827353 372607705 /nfs/dbraw/zinc/60/77/05/372607705.db2.gz MJCLDPMFVUFDSS-CQSZACIVSA-N 2 1 249.402 2.470 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c(C)n1 ZINC000631829359 372610971 /nfs/dbraw/zinc/61/09/71/372610971.db2.gz OTKUWJCLZGCBDU-GXTWGEPZSA-N 2 1 247.386 2.318 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c(C)n1 ZINC000631829360 372611234 /nfs/dbraw/zinc/61/12/34/372611234.db2.gz OTKUWJCLZGCBDU-JSGCOSHPSA-N 2 1 247.386 2.318 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1F ZINC000631837506 372627888 /nfs/dbraw/zinc/62/78/88/372627888.db2.gz SYSAUBMJBJPESZ-DGCLKSJQSA-N 2 1 236.334 2.161 20 0 BEADMP Cc1cc(C)c(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(C)n1 ZINC000631837374 372627918 /nfs/dbraw/zinc/62/79/18/372627918.db2.gz RQHKSHDMLQEHAJ-BXUZGUMPSA-N 2 1 247.386 2.033 20 0 BEADMP C[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1C[NH3+] ZINC000631838175 372631485 /nfs/dbraw/zinc/63/14/85/372631485.db2.gz JYZGCQODLNGQKP-DGCLKSJQSA-N 2 1 238.400 2.207 20 0 BEADMP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631843059 372640254 /nfs/dbraw/zinc/64/02/54/372640254.db2.gz IYTBBTLFGLFRGA-MBNYWOFBSA-N 2 1 218.344 2.274 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCCC1CCCC1 ZINC000631860563 372659296 /nfs/dbraw/zinc/65/92/96/372659296.db2.gz KYCWPYIFAMUSQP-WCQYABFASA-N 2 1 210.365 2.378 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCCC1CCCC1 ZINC000631860563 372659304 /nfs/dbraw/zinc/65/93/04/372659304.db2.gz KYCWPYIFAMUSQP-WCQYABFASA-N 2 1 210.365 2.378 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631844459 372643395 /nfs/dbraw/zinc/64/33/95/372643395.db2.gz XLDPZFZRFUFVRV-UKRRQHHQSA-N 2 1 232.371 2.330 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000631872413 372673534 /nfs/dbraw/zinc/67/35/34/372673534.db2.gz AIPXEVPYANMVEH-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccn2C)C1 ZINC000093753099 169077419 /nfs/dbraw/zinc/07/74/19/169077419.db2.gz RAYRFCQVLBKLIR-CQSZACIVSA-N 2 1 249.402 2.189 20 0 BEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccn2C)C1 ZINC000093753099 169077421 /nfs/dbraw/zinc/07/74/21/169077421.db2.gz RAYRFCQVLBKLIR-CQSZACIVSA-N 2 1 249.402 2.189 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccn2C)C1 ZINC000093753099 169077422 /nfs/dbraw/zinc/07/74/22/169077422.db2.gz RAYRFCQVLBKLIR-CQSZACIVSA-N 2 1 249.402 2.189 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccn2C)C1 ZINC000093753099 169077424 /nfs/dbraw/zinc/07/74/24/169077424.db2.gz RAYRFCQVLBKLIR-CQSZACIVSA-N 2 1 249.402 2.189 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000353084614 169127375 /nfs/dbraw/zinc/12/73/75/169127375.db2.gz URDZZDBQTPTXDK-MJBXVCDLSA-N 2 1 242.407 2.264 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000353084614 169127377 /nfs/dbraw/zinc/12/73/77/169127377.db2.gz URDZZDBQTPTXDK-MJBXVCDLSA-N 2 1 242.407 2.264 20 0 BEADMP CCC[N@H+](CC)CC[NH2+]C1CC(CC)C1 ZINC000309142389 169123548 /nfs/dbraw/zinc/12/35/48/169123548.db2.gz HOMWXZJWXHYFSD-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+]C1CC(CC)C1 ZINC000309142389 169123549 /nfs/dbraw/zinc/12/35/49/169123549.db2.gz HOMWXZJWXHYFSD-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)C1CC1 ZINC000309231548 169125749 /nfs/dbraw/zinc/12/57/49/169125749.db2.gz WUEQTVNHZFHWSH-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)C1CC1 ZINC000309231548 169125752 /nfs/dbraw/zinc/12/57/52/169125752.db2.gz WUEQTVNHZFHWSH-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCOC[C@H]1C ZINC000353491091 169127187 /nfs/dbraw/zinc/12/71/87/169127187.db2.gz RNBUGZRFWBLHMN-RDBSUJKOSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCOC[C@H]1C ZINC000353491091 169127190 /nfs/dbraw/zinc/12/71/90/169127190.db2.gz RNBUGZRFWBLHMN-RDBSUJKOSA-N 2 1 242.407 2.121 20 0 BEADMP Oc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000106868787 183290859 /nfs/dbraw/zinc/29/08/59/183290859.db2.gz IDYZSKAPXKDQTI-ZIAGYGMSSA-N 2 1 246.354 2.109 20 0 BEADMP Oc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106868787 183290860 /nfs/dbraw/zinc/29/08/60/183290860.db2.gz IDYZSKAPXKDQTI-ZIAGYGMSSA-N 2 1 246.354 2.109 20 0 BEADMP CCC[NH+]1CCC([NH2+]Cc2ccc(O)cc2)CC1 ZINC000020189512 169188271 /nfs/dbraw/zinc/18/82/71/169188271.db2.gz UTVSXXKZRFHNNR-UHFFFAOYSA-N 2 1 248.370 2.356 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000353133618 169196540 /nfs/dbraw/zinc/19/65/40/169196540.db2.gz DXAMGRZRLDYHGQ-BFHYXJOUSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000353133618 169196541 /nfs/dbraw/zinc/19/65/41/169196541.db2.gz DXAMGRZRLDYHGQ-BFHYXJOUSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000336777788 169197037 /nfs/dbraw/zinc/19/70/37/169197037.db2.gz JOCCUCGXBOIXOO-IGQOVBAYSA-N 2 1 224.392 2.495 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000336777788 169197038 /nfs/dbraw/zinc/19/70/38/169197038.db2.gz JOCCUCGXBOIXOO-IGQOVBAYSA-N 2 1 224.392 2.495 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C(C)C ZINC000336764723 169200307 /nfs/dbraw/zinc/20/03/07/169200307.db2.gz QEKFPPMPDAAJRE-STQMWFEESA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C(C)C ZINC000336764723 169200308 /nfs/dbraw/zinc/20/03/08/169200308.db2.gz QEKFPPMPDAAJRE-STQMWFEESA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCC2(C)C)C1 ZINC000309946601 169206311 /nfs/dbraw/zinc/20/63/11/169206311.db2.gz DOXOSQANLWWOOE-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000309942949 169206962 /nfs/dbraw/zinc/20/69/62/169206962.db2.gz CGXZLYTYHQSSOW-QWHCGFSZSA-N 2 1 242.432 2.061 20 0 BEADMP c1ccc(CCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000336786237 183392197 /nfs/dbraw/zinc/39/21/97/183392197.db2.gz BLSBULBRIMFOLM-HOTGVXAUSA-N 2 1 244.382 2.161 20 0 BEADMP CCC[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000049709337 169291777 /nfs/dbraw/zinc/29/17/77/169291777.db2.gz SSLVMFMCBUQXMV-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP c1ccc2c(c1)C[NH+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000050911366 183447028 /nfs/dbraw/zinc/44/70/28/183447028.db2.gz UQHASMDSPFXCNC-GFCCVEGCSA-N 2 1 216.328 2.002 20 0 BEADMP CS[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000226323774 134360421 /nfs/dbraw/zinc/36/04/21/134360421.db2.gz XQFAGWLHJYCZSJ-CHWSQXEVSA-N 2 1 242.432 2.344 20 0 BEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000069723892 383840474 /nfs/dbraw/zinc/84/04/74/383840474.db2.gz MQCQBUTZPGTWDC-LLVKDONJSA-N 2 1 224.373 2.309 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000069626872 383834410 /nfs/dbraw/zinc/83/44/10/383834410.db2.gz YWUQWTDDWTUTAH-QWRGUYRKSA-N 2 1 224.373 2.307 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000558258054 383888982 /nfs/dbraw/zinc/88/89/82/383888982.db2.gz OPXJLSIAMKPOIJ-QWHCGFSZSA-N 2 1 235.375 2.377 20 0 BEADMP [NH3+][C@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000050227950 383982727 /nfs/dbraw/zinc/98/27/27/383982727.db2.gz RJGTXTWFZPHABU-GXTWGEPZSA-N 2 1 216.328 2.097 20 0 BEADMP [NH3+][C@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000050227950 383982731 /nfs/dbraw/zinc/98/27/31/383982731.db2.gz RJGTXTWFZPHABU-GXTWGEPZSA-N 2 1 216.328 2.097 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccnc1 ZINC000037140967 383945428 /nfs/dbraw/zinc/94/54/28/383945428.db2.gz LXCIIJBFFUVLOL-GFCCVEGCSA-N 2 1 245.370 2.359 20 0 BEADMP CCCC[NH+]1CCC([NH2+]Cc2ccncc2)CC1 ZINC000037150065 383948608 /nfs/dbraw/zinc/94/86/08/383948608.db2.gz GFTIUEZTIHZQSW-UHFFFAOYSA-N 2 1 247.386 2.436 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000114478116 384039163 /nfs/dbraw/zinc/03/91/63/384039163.db2.gz LWPGKSJFJFIKBO-OAHLLOKOSA-N 2 1 232.371 2.113 20 0 BEADMP Cc1cc(C)cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000163177171 384069470 /nfs/dbraw/zinc/06/94/70/384069470.db2.gz RBLQPORCPZTZAD-UKRRQHHQSA-N 2 1 232.371 2.473 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000090773014 384074103 /nfs/dbraw/zinc/07/41/03/384074103.db2.gz FOXCHWRXMNTXEQ-BZPMIXESSA-N 2 1 236.403 2.495 20 0 BEADMP CC1(C)CC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000309406517 384106879 /nfs/dbraw/zinc/10/68/79/384106879.db2.gz HZMVGRIPZRRDDX-OLZOCXBDSA-N 2 1 222.376 2.391 20 0 BEADMP CC1(C)CC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000309406517 384106881 /nfs/dbraw/zinc/10/68/81/384106881.db2.gz HZMVGRIPZRRDDX-OLZOCXBDSA-N 2 1 222.376 2.391 20 0 BEADMP [NH3+]CC[N@@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000569493185 384118600 /nfs/dbraw/zinc/11/86/00/384118600.db2.gz VPSXFZCLDUHZIH-CYBMUJFWSA-N 2 1 210.365 2.380 20 0 BEADMP [NH3+]CC[N@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000569493185 384118605 /nfs/dbraw/zinc/11/86/05/384118605.db2.gz VPSXFZCLDUHZIH-CYBMUJFWSA-N 2 1 210.365 2.380 20 0 BEADMP C[N@H+](Cc1ccccc1F)CC1CC[NH2+]CC1 ZINC000042436875 384221007 /nfs/dbraw/zinc/22/10/07/384221007.db2.gz FKKVSZSJNQAAIT-UHFFFAOYSA-N 2 1 236.334 2.257 20 0 BEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CC(F)F ZINC000647318594 384247339 /nfs/dbraw/zinc/24/73/39/384247339.db2.gz UKDHTQSXOGFTNU-DCAQKATOSA-N 2 1 234.334 2.350 20 0 BEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CC(F)F ZINC000647318593 384247699 /nfs/dbraw/zinc/24/76/99/384247699.db2.gz UKDHTQSXOGFTNU-AXFHLTTASA-N 2 1 234.334 2.350 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3F)C[C@H]21 ZINC000228473991 384257461 /nfs/dbraw/zinc/25/74/61/384257461.db2.gz BKFMLEFIOYCBQP-NJZAAPMLSA-N 2 1 248.345 2.385 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000308805509 384307612 /nfs/dbraw/zinc/30/76/12/384307612.db2.gz AVLRAZSJEVCDLX-XQQFMLRXSA-N 2 1 210.365 2.106 20 0 BEADMP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CCC[NH2+]CC1 ZINC000034444888 384280598 /nfs/dbraw/zinc/28/05/98/384280598.db2.gz VIZVUUXHGLJMQQ-HNNXBMFYSA-N 2 1 230.355 2.359 20 0 BEADMP CCCC[N@@H+](CC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000300056884 384285808 /nfs/dbraw/zinc/28/58/08/384285808.db2.gz VPMCHYHOFSVVDF-OLZOCXBDSA-N 2 1 212.381 2.497 20 0 BEADMP N[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000224187852 384289135 /nfs/dbraw/zinc/28/91/35/384289135.db2.gz RJGTXTWFZPHABU-TZMCWYRMSA-N 2 1 216.328 2.097 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000224187852 384289143 /nfs/dbraw/zinc/28/91/43/384289143.db2.gz RJGTXTWFZPHABU-TZMCWYRMSA-N 2 1 216.328 2.097 20 0 BEADMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000224187852 384289148 /nfs/dbraw/zinc/28/91/48/384289148.db2.gz RJGTXTWFZPHABU-TZMCWYRMSA-N 2 1 216.328 2.097 20 0 BEADMP CSCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173962703 384291518 /nfs/dbraw/zinc/29/15/18/384291518.db2.gz NDCZETXQLAABOW-LBPRGKRZSA-N 2 1 230.421 2.156 20 0 BEADMP CSCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173962703 384291522 /nfs/dbraw/zinc/29/15/22/384291522.db2.gz NDCZETXQLAABOW-LBPRGKRZSA-N 2 1 230.421 2.156 20 0 BEADMP CSCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173962703 384291524 /nfs/dbraw/zinc/29/15/24/384291524.db2.gz NDCZETXQLAABOW-LBPRGKRZSA-N 2 1 230.421 2.156 20 0 BEADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000095072273 384343396 /nfs/dbraw/zinc/34/33/96/384343396.db2.gz CFFROILXKPQEOQ-GHMZBOCLSA-N 2 1 239.750 2.095 20 0 BEADMP CC[C@H](C)C[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000083863416 384344251 /nfs/dbraw/zinc/34/42/51/384344251.db2.gz LLAPWQDVRWRQAM-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP Cc1csc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000335590667 384354949 /nfs/dbraw/zinc/35/49/49/384354949.db2.gz HKNBTPJABZZVMN-WCQYABFASA-N 2 1 238.400 2.486 20 0 BEADMP Cc1csc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000335590667 384354954 /nfs/dbraw/zinc/35/49/54/384354954.db2.gz HKNBTPJABZZVMN-WCQYABFASA-N 2 1 238.400 2.486 20 0 BEADMP CC(C)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835952 384357971 /nfs/dbraw/zinc/35/79/71/384357971.db2.gz IXGJBPWTMYVJNX-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CCSCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000174780915 384362837 /nfs/dbraw/zinc/36/28/37/384362837.db2.gz ZBRAWCMEJDBGLS-OLZOCXBDSA-N 2 1 244.448 2.402 20 0 BEADMP CCSCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000174780915 384362844 /nfs/dbraw/zinc/36/28/44/384362844.db2.gz ZBRAWCMEJDBGLS-OLZOCXBDSA-N 2 1 244.448 2.402 20 0 BEADMP CCSCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000174780915 384362850 /nfs/dbraw/zinc/36/28/50/384362850.db2.gz ZBRAWCMEJDBGLS-OLZOCXBDSA-N 2 1 244.448 2.402 20 0 BEADMP COc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1C ZINC000569619097 384363923 /nfs/dbraw/zinc/36/39/23/384363923.db2.gz OKUMDCDACQSCHM-OCCSQVGLSA-N 2 1 248.370 2.315 20 0 BEADMP COc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1C ZINC000569619097 384363925 /nfs/dbraw/zinc/36/39/25/384363925.db2.gz OKUMDCDACQSCHM-OCCSQVGLSA-N 2 1 248.370 2.315 20 0 BEADMP CC(C)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000035054452 384392621 /nfs/dbraw/zinc/39/26/21/384392621.db2.gz COUXTNFQEMCCFH-UHFFFAOYSA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@@H](C)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000121124972 384397981 /nfs/dbraw/zinc/39/79/81/384397981.db2.gz ZGLSWMYAQQSKGY-CHWSQXEVSA-N 2 1 212.381 2.306 20 0 BEADMP CC[C@@H](C)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000121124972 384397985 /nfs/dbraw/zinc/39/79/85/384397985.db2.gz ZGLSWMYAQQSKGY-CHWSQXEVSA-N 2 1 212.381 2.306 20 0 BEADMP CC[C@@H](C)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000121124972 384397990 /nfs/dbraw/zinc/39/79/90/384397990.db2.gz ZGLSWMYAQQSKGY-CHWSQXEVSA-N 2 1 212.381 2.306 20 0 BEADMP CC(C)C1([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000334195348 384388652 /nfs/dbraw/zinc/38/86/52/384388652.db2.gz KFACJIPGTSLVCL-CHWSQXEVSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCC2)C1 ZINC000521370545 384425739 /nfs/dbraw/zinc/42/57/39/384425739.db2.gz WPRQPYCCORTFBH-CHWSQXEVSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@H](C[NH3+])C[NH2+]Cc1ccsc1Cl ZINC000312746342 384456713 /nfs/dbraw/zinc/45/67/13/384456713.db2.gz OSXXSRSFORRKFX-ZETCQYMHSA-N 2 1 218.753 2.086 20 0 BEADMP C[C@]1(C[N@H+]2CCC[C@@H]2c2ccccn2)CC[NH2+]C1 ZINC000647513931 384428142 /nfs/dbraw/zinc/42/81/42/384428142.db2.gz VFSUKTQOSUAQAF-CABCVRRESA-N 2 1 245.370 2.218 20 0 BEADMP CC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000181139717 384460059 /nfs/dbraw/zinc/46/00/59/384460059.db2.gz UCQYOHNOAKDWQR-YNEHKIRRSA-N 2 1 210.365 2.201 20 0 BEADMP CC[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000181139717 384460066 /nfs/dbraw/zinc/46/00/66/384460066.db2.gz UCQYOHNOAKDWQR-YNEHKIRRSA-N 2 1 210.365 2.201 20 0 BEADMP CC[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000181139717 384460070 /nfs/dbraw/zinc/46/00/70/384460070.db2.gz UCQYOHNOAKDWQR-YNEHKIRRSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000037140990 384482013 /nfs/dbraw/zinc/48/20/13/384482013.db2.gz HKRYYNZJHMHYMK-SNVBAGLBSA-N 2 1 208.349 2.001 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC=C(C)CC2)C1 ZINC000556816631 384503519 /nfs/dbraw/zinc/50/35/19/384503519.db2.gz FMIXTCSQHNRAQL-KGLIPLIRSA-N 2 1 222.376 2.417 20 0 BEADMP C[C@H]1C[C@@H](C[N@@H+](C)C2CC(C)(C)C2)CC[NH2+]1 ZINC000334623378 384527581 /nfs/dbraw/zinc/52/75/81/384527581.db2.gz UHPKNIHBNHWLAC-RYUDHWBXSA-N 2 1 224.392 2.495 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)o1 ZINC000049330308 384529556 /nfs/dbraw/zinc/52/95/56/384529556.db2.gz NPSOBZGNWBDXEX-LLVKDONJSA-N 2 1 233.315 2.444 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2C)o1 ZINC000049330310 384530519 /nfs/dbraw/zinc/53/05/19/384530519.db2.gz NPSOBZGNWBDXEX-NSHDSACASA-N 2 1 233.315 2.444 20 0 BEADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000305994998 384562856 /nfs/dbraw/zinc/56/28/56/384562856.db2.gz MQKYNOGSDZFYER-VXGBXAGGSA-N 2 1 246.345 2.483 20 0 BEADMP C[C@@H](C[NH3+])[NH2+]Cc1csc2ccccc12 ZINC000162019953 384552493 /nfs/dbraw/zinc/55/24/93/384552493.db2.gz AIPUWJDBMHZUNO-VIFPVBQESA-N 2 1 220.341 2.338 20 0 BEADMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccncc1 ZINC000019905773 384556701 /nfs/dbraw/zinc/55/67/01/384556701.db2.gz TXIUARBZNMHFNA-LBPRGKRZSA-N 2 1 235.375 2.320 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000306049648 384567952 /nfs/dbraw/zinc/56/79/52/384567952.db2.gz VVGLVEWRQQBXLB-RYUDHWBXSA-N 2 1 246.345 2.353 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@@H]1C[NH3+] ZINC000306053943 384569182 /nfs/dbraw/zinc/56/91/82/384569182.db2.gz WXWNKODGXHLZMY-UTUOFQBUSA-N 2 1 246.345 2.339 20 0 BEADMP CC[C@@](C)(C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)OC ZINC000319894241 384573037 /nfs/dbraw/zinc/57/30/37/384573037.db2.gz PJQSRSISNFXFPI-KBPBESRZSA-N 2 1 242.407 2.121 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000235786326 384578354 /nfs/dbraw/zinc/57/83/54/384578354.db2.gz LQWXVXDRWPCHBV-AWEZNQCLSA-N 2 1 236.334 2.305 20 0 BEADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+]C1CCCCC1 ZINC000334846502 384582444 /nfs/dbraw/zinc/58/24/44/384582444.db2.gz BZWRXWDWELWGGY-SNVBAGLBSA-N 2 1 232.318 2.154 20 0 BEADMP Cc1cccc(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)n1 ZINC000423084782 384566114 /nfs/dbraw/zinc/56/61/14/384566114.db2.gz IWEXFWSDZBVNSL-UKRRQHHQSA-N 2 1 247.386 2.053 20 0 BEADMP Cc1cccc(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)n1 ZINC000423084781 384566694 /nfs/dbraw/zinc/56/66/94/384566694.db2.gz IWEXFWSDZBVNSL-HIFRSBDPSA-N 2 1 247.386 2.053 20 0 BEADMP CCOc1cccc(C[NH+]2CCC(C)([NH3+])CC2)c1 ZINC000647531626 384633576 /nfs/dbraw/zinc/63/35/76/384633576.db2.gz MEMVNNQXTWIYMC-UHFFFAOYSA-N 2 1 248.370 2.399 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCC2(F)CCC2)CC[N@H+]1C ZINC000309808497 384635775 /nfs/dbraw/zinc/63/57/75/384635775.db2.gz SUFSYYKKHQJNID-VXGBXAGGSA-N 2 1 228.355 2.341 20 0 BEADMP C[C@H](C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1)C(C)(C)C ZINC000647533984 384646242 /nfs/dbraw/zinc/64/62/42/384646242.db2.gz CZDJFDPZPMTZOZ-UPJWGTAASA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000647534540 384647060 /nfs/dbraw/zinc/64/70/60/384647060.db2.gz QDUWHPUUIDELQL-QPSCCSFWSA-N 2 1 236.403 2.497 20 0 BEADMP CCc1ccccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000052200884 384726303 /nfs/dbraw/zinc/72/63/03/384726303.db2.gz ZJKLWIXSFURMQV-UHFFFAOYSA-N 2 1 232.371 2.433 20 0 BEADMP C[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000082666636 384701598 /nfs/dbraw/zinc/70/15/98/384701598.db2.gz YICRVFXFCKIOTE-AWEZNQCLSA-N 2 1 218.344 2.261 20 0 BEADMP CC(C)(C)CCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000300921865 384712301 /nfs/dbraw/zinc/71/23/01/384712301.db2.gz TZRQBFJFHFVKSN-ZDUSSCGKSA-N 2 1 212.381 2.483 20 0 BEADMP CCC1CC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000310038775 384714802 /nfs/dbraw/zinc/71/48/02/384714802.db2.gz WKGRGCHJASXIPJ-PQAZSJQKSA-N 2 1 222.376 2.391 20 0 BEADMP CCC1CC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000310038775 384714811 /nfs/dbraw/zinc/71/48/11/384714811.db2.gz WKGRGCHJASXIPJ-PQAZSJQKSA-N 2 1 222.376 2.391 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)s1 ZINC000125479536 384722157 /nfs/dbraw/zinc/72/21/57/384722157.db2.gz GBJHYACXGDMTMX-GFCCVEGCSA-N 2 1 238.400 2.440 20 0 BEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC12CCC2)C1CC1 ZINC000309967059 384744122 /nfs/dbraw/zinc/74/41/22/384744122.db2.gz NXFUZVNDZYRDMU-CHWSQXEVSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC1(C)C ZINC000397596461 384756610 /nfs/dbraw/zinc/75/66/10/384756610.db2.gz KIGJCEIXIAHZAF-OBJOEFQTSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)[C@@H]1CC1(C)C ZINC000336752166 384767122 /nfs/dbraw/zinc/76/71/22/384767122.db2.gz VMWUBNSQXOILQV-DRZSPHRISA-N 2 1 224.392 2.351 20 0 BEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)C2CC2)C1 ZINC000247388219 384837420 /nfs/dbraw/zinc/83/74/20/384837420.db2.gz VKQGXOPBVUMMTB-CHWSQXEVSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000564827989 384822016 /nfs/dbraw/zinc/82/20/16/384822016.db2.gz NTEQECCAWZOTIM-PRHODGIISA-N 2 1 224.735 2.264 20 0 BEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423353696 384831637 /nfs/dbraw/zinc/83/16/37/384831637.db2.gz CAWHAUPRNUGLMN-ZDEQEGDKSA-N 2 1 210.365 2.009 20 0 BEADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000107786779 384782440 /nfs/dbraw/zinc/78/24/40/384782440.db2.gz LLTOZJYRRUBMFE-BXUZGUMPSA-N 2 1 236.359 2.329 20 0 BEADMP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000107786784 384782510 /nfs/dbraw/zinc/78/25/10/384782510.db2.gz LLTOZJYRRUBMFE-RISCZKNCSA-N 2 1 236.359 2.329 20 0 BEADMP CC[C@H]1CC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000310010552 384783804 /nfs/dbraw/zinc/78/38/04/384783804.db2.gz ILIXYWFWFMLTJU-STQMWFEESA-N 2 1 221.348 2.360 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000423277110 384786718 /nfs/dbraw/zinc/78/67/18/384786718.db2.gz PESBIOMICRXYPN-ZIAGYGMSSA-N 2 1 236.334 2.386 20 0 BEADMP [NH3+][C@H](C[NH2+][C@H]1CCc2ccc(F)cc21)C1CC1 ZINC000423312867 384795161 /nfs/dbraw/zinc/79/51/61/384795161.db2.gz DXDDGKQNOFNBJP-KGLIPLIRSA-N 2 1 234.318 2.140 20 0 BEADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH+](C)CC1 ZINC000147654781 384849870 /nfs/dbraw/zinc/84/98/70/384849870.db2.gz NZOWHLULYIRHIF-GFCCVEGCSA-N 2 1 248.370 2.007 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCC2(C)C)C1 ZINC000086857121 384893457 /nfs/dbraw/zinc/89/34/57/384893457.db2.gz DTPQYFLXSWBZLC-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)[C@H]1CCOC1 ZINC000310236580 384917432 /nfs/dbraw/zinc/91/74/32/384917432.db2.gz AJENJELJLLXGHH-IHRRRGAJSA-N 2 1 242.407 2.120 20 0 BEADMP CC[C@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)[C@H]1CCOC1 ZINC000310236580 384917437 /nfs/dbraw/zinc/91/74/37/384917437.db2.gz AJENJELJLLXGHH-IHRRRGAJSA-N 2 1 242.407 2.120 20 0 BEADMP CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000259266009 384959707 /nfs/dbraw/zinc/95/97/07/384959707.db2.gz ZLAUJSBLFKBHFV-KBPBESRZSA-N 2 1 234.343 2.055 20 0 BEADMP CC[C@@H](O)C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000644522375 384926602 /nfs/dbraw/zinc/92/66/02/384926602.db2.gz QXRZLJLVOVPQAK-UONOGXRCSA-N 2 1 242.407 2.002 20 0 BEADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccoc1 ZINC000087289592 384931739 /nfs/dbraw/zinc/93/17/39/384931739.db2.gz WYZSYKXOYIWDRN-LBPRGKRZSA-N 2 1 222.332 2.416 20 0 BEADMP CCOc1ccc(C[NH2+]CC(C)(C)[NH3+])cc1F ZINC000258680683 384932226 /nfs/dbraw/zinc/93/22/26/384932226.db2.gz AURQZHYALMFFFX-UHFFFAOYSA-N 2 1 240.322 2.051 20 0 BEADMP c1csc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106868249 384936328 /nfs/dbraw/zinc/93/63/28/384936328.db2.gz JXMYQZUILFWILN-VXGBXAGGSA-N 2 1 236.384 2.465 20 0 BEADMP c1csc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000106868249 384936332 /nfs/dbraw/zinc/93/63/32/384936332.db2.gz JXMYQZUILFWILN-VXGBXAGGSA-N 2 1 236.384 2.465 20 0 BEADMP c1csc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106868249 384936343 /nfs/dbraw/zinc/93/63/43/384936343.db2.gz JXMYQZUILFWILN-VXGBXAGGSA-N 2 1 236.384 2.465 20 0 BEADMP C[NH2+]CC[NH2+]CCc1ccc(C(C)C)cc1 ZINC000258803379 384937567 /nfs/dbraw/zinc/93/75/67/384937567.db2.gz RQMBTPDQTOWVPU-UHFFFAOYSA-N 2 1 220.360 2.162 20 0 BEADMP C[NH2+]CCC[N@@H+](C)CCc1ccc(C)cc1 ZINC000258755097 384940371 /nfs/dbraw/zinc/94/03/71/384940371.db2.gz MMTVCNIHHFPPCZ-UHFFFAOYSA-N 2 1 220.360 2.079 20 0 BEADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])O1 ZINC000404274815 384965732 /nfs/dbraw/zinc/96/57/32/384965732.db2.gz AHFGYRZBYAPEPR-SYQHCUMBSA-N 2 1 240.391 2.003 20 0 BEADMP Cc1cnccc1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404265926 384967061 /nfs/dbraw/zinc/96/70/61/384967061.db2.gz HHTKPNIPEAPNGK-IUODEOHRSA-N 2 1 247.386 2.339 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000423478491 384988697 /nfs/dbraw/zinc/98/86/97/384988697.db2.gz UQXYLUPCLOEJEB-YPMHNXCESA-N 2 1 222.307 2.140 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000423478490 384989935 /nfs/dbraw/zinc/98/99/35/384989935.db2.gz UQXYLUPCLOEJEB-WCQYABFASA-N 2 1 222.307 2.140 20 0 BEADMP C[NH+](C)CCC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000128151614 385004117 /nfs/dbraw/zinc/00/41/17/385004117.db2.gz ZLJMGPFANBISRA-CQSZACIVSA-N 2 1 236.334 2.354 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+]C1CCC(F)(F)CC1 ZINC000647300463 385054047 /nfs/dbraw/zinc/05/40/47/385054047.db2.gz TUVUSCQTROCKCK-UHFFFAOYSA-N 2 1 243.301 2.130 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000157056798 385057113 /nfs/dbraw/zinc/05/71/13/385057113.db2.gz MCBLFAZGSCRNIM-LBPRGKRZSA-N 2 1 236.334 2.305 20 0 BEADMP CC[C@H](C)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397324448 385082195 /nfs/dbraw/zinc/08/21/95/385082195.db2.gz OFGFDTAYXTZXAB-LOWDOPEQSA-N 2 1 212.381 2.338 20 0 BEADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCC[C@H]2F)CC1 ZINC000336501694 385043725 /nfs/dbraw/zinc/04/37/25/385043725.db2.gz JIOBIWKXALRUHR-OLZOCXBDSA-N 2 1 228.355 2.339 20 0 BEADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000336347244 385142542 /nfs/dbraw/zinc/14/25/42/385142542.db2.gz AXBYJNWFTCSNGK-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000336347244 385142546 /nfs/dbraw/zinc/14/25/46/385142546.db2.gz AXBYJNWFTCSNGK-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000336347244 385142550 /nfs/dbraw/zinc/14/25/50/385142550.db2.gz AXBYJNWFTCSNGK-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c(C)c1 ZINC000227056258 385086672 /nfs/dbraw/zinc/08/66/72/385086672.db2.gz LTOCQTFKTFIULR-ZFWWWQNUSA-N 2 1 232.371 2.473 20 0 BEADMP CSC1(C[NH2+]CCC[N@@H+](C)C(C)C)CC1 ZINC000308778511 385090924 /nfs/dbraw/zinc/09/09/24/385090924.db2.gz BOOVAIIPKCRFFW-UHFFFAOYSA-N 2 1 230.421 2.202 20 0 BEADMP C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1)C[NH+](C)C ZINC000291683460 385104710 /nfs/dbraw/zinc/10/47/10/385104710.db2.gz ICISGWPMYVWFST-JTQLQIEISA-N 2 1 242.313 2.252 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)C1CCOCC1 ZINC000354326586 385106324 /nfs/dbraw/zinc/10/63/24/385106324.db2.gz DSUAJKPDKDQHQN-CHWSQXEVSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000227200532 385106327 /nfs/dbraw/zinc/10/63/27/385106327.db2.gz WAJVGTQPDLBEFU-VNHYZAJKSA-N 2 1 232.371 2.459 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)C1CCOCC1 ZINC000354326586 385106331 /nfs/dbraw/zinc/10/63/31/385106331.db2.gz DSUAJKPDKDQHQN-CHWSQXEVSA-N 2 1 242.407 2.121 20 0 BEADMP Cc1cncc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000189898188 385196011 /nfs/dbraw/zinc/19/60/11/385196011.db2.gz JCMRABCHRDPHHH-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP C[C@@H](C[NH2+][C@@H](C)c1cccnc1)C[NH+]1CCCC1 ZINC000062077891 385154215 /nfs/dbraw/zinc/15/42/15/385154215.db2.gz MOYWRGJGQQFTLS-KBPBESRZSA-N 2 1 247.386 2.464 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC23CC3)[C@H]2CCC[C@H]21 ZINC000424321271 385164169 /nfs/dbraw/zinc/16/41/69/385164169.db2.gz KCMFLPRVTBXEMI-YVECIDJPSA-N 2 1 220.360 2.001 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000300988785 385221772 /nfs/dbraw/zinc/22/17/72/385221772.db2.gz VEXJHFDRUGUPBX-XQQFMLRXSA-N 2 1 212.381 2.338 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000449781103 385223426 /nfs/dbraw/zinc/22/34/26/385223426.db2.gz ZJANKWUNBSAPOM-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CCC1 ZINC000252714911 385225534 /nfs/dbraw/zinc/22/55/34/385225534.db2.gz UAHJAVIUJKEGDE-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](C)CC1 ZINC000161520600 385230061 /nfs/dbraw/zinc/23/00/61/385230061.db2.gz YEOQXGFBMRJPLD-QMMMGPOBSA-N 2 1 224.270 2.011 20 0 BEADMP CCC(CC)C[NH2+][C@H](C[NH3+])CC(C)C ZINC000130278090 385233312 /nfs/dbraw/zinc/23/33/12/385233312.db2.gz PGARZVIDUWDNRP-LBPRGKRZSA-N 2 1 200.370 2.386 20 0 BEADMP CCc1ccc(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000422762166 385251165 /nfs/dbraw/zinc/25/11/65/385251165.db2.gz RXHGFKPVLHWMPP-CZUORRHYSA-N 2 1 246.398 2.379 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000065461368 385313881 /nfs/dbraw/zinc/31/38/81/385313881.db2.gz OFQDAAAUSJUOQN-LBPRGKRZSA-N 2 1 241.338 2.015 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000252731603 385263645 /nfs/dbraw/zinc/26/36/45/385263645.db2.gz QTHTYBOOMWTMBM-AAVRWANBSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000252731603 385263653 /nfs/dbraw/zinc/26/36/53/385263653.db2.gz QTHTYBOOMWTMBM-AAVRWANBSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000252731604 385264670 /nfs/dbraw/zinc/26/46/70/385264670.db2.gz QTHTYBOOMWTMBM-SYQHCUMBSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000252731604 385264676 /nfs/dbraw/zinc/26/46/76/385264676.db2.gz QTHTYBOOMWTMBM-SYQHCUMBSA-N 2 1 224.392 2.495 20 0 BEADMP CCC[N@@H+](Cc1ccc(C)nc1)C1CC[NH2+]CC1 ZINC000347106846 385271171 /nfs/dbraw/zinc/27/11/71/385271171.db2.gz NUWZLLHJMPEYLK-UHFFFAOYSA-N 2 1 247.386 2.354 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)C1CCC1 ZINC000178501673 385290532 /nfs/dbraw/zinc/29/05/32/385290532.db2.gz WAGUMHHRLUIGHX-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)C1CCC1 ZINC000178501673 385290537 /nfs/dbraw/zinc/29/05/37/385290537.db2.gz WAGUMHHRLUIGHX-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCCOC ZINC000178502604 385291428 /nfs/dbraw/zinc/29/14/28/385291428.db2.gz LPOMWDGMTQPBRF-QWHCGFSZSA-N 2 1 230.396 2.121 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCCOC ZINC000178502604 385291432 /nfs/dbraw/zinc/29/14/32/385291432.db2.gz LPOMWDGMTQPBRF-QWHCGFSZSA-N 2 1 230.396 2.121 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000308988264 385334224 /nfs/dbraw/zinc/33/42/24/385334224.db2.gz MUTFPVFMKOZGGM-FDYHWXHSSA-N 2 1 212.381 2.349 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000308988264 385334226 /nfs/dbraw/zinc/33/42/26/385334226.db2.gz MUTFPVFMKOZGGM-FDYHWXHSSA-N 2 1 212.381 2.349 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000228152741 385350189 /nfs/dbraw/zinc/35/01/89/385350189.db2.gz PRCNGZXCSUWUII-ZFWWWQNUSA-N 2 1 232.371 2.473 20 0 BEADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC000179470089 385377132 /nfs/dbraw/zinc/37/71/32/385377132.db2.gz NUWWEYNZAVGDQA-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP CCC(CC)[C@H](C[NH2+]C(C)C)[NH+](C)C ZINC000020202129 385439048 /nfs/dbraw/zinc/43/90/48/385439048.db2.gz NJNXBNZVJPPQCL-LBPRGKRZSA-N 2 1 200.370 2.351 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CC(CC)C1 ZINC000309166281 385446555 /nfs/dbraw/zinc/44/65/55/385446555.db2.gz JCJJFCCBSAWSOR-PNESKVBLSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CC(CC)C1 ZINC000309166281 385446557 /nfs/dbraw/zinc/44/65/57/385446557.db2.gz JCJJFCCBSAWSOR-PNESKVBLSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H](CSC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000309293317 385513271 /nfs/dbraw/zinc/51/32/71/385513271.db2.gz WKHZONBVUUQROV-NSHDSACASA-N 2 1 242.432 2.344 20 0 BEADMP CC[C@@H](C)[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336729580 385533785 /nfs/dbraw/zinc/53/37/85/385533785.db2.gz JDKSUNLPZLSPQU-VXGBXAGGSA-N 2 1 210.365 2.273 20 0 BEADMP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000309350394 385542273 /nfs/dbraw/zinc/54/22/73/385542273.db2.gz MYIRTGMBPJBPDZ-BDAKNGLRSA-N 2 1 228.286 2.210 20 0 BEADMP CC(C)(C)CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000309388812 385559883 /nfs/dbraw/zinc/55/98/83/385559883.db2.gz SPOTUJVGAJGNGR-YNEHKIRRSA-N 2 1 224.392 2.482 20 0 BEADMP c1ccc(CN[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996691 385594766 /nfs/dbraw/zinc/59/47/66/385594766.db2.gz MCCRATQBGIGFLN-LSDHHAIUSA-N 2 1 230.355 2.403 20 0 BEADMP c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996691 385594776 /nfs/dbraw/zinc/59/47/76/385594776.db2.gz MCCRATQBGIGFLN-LSDHHAIUSA-N 2 1 230.355 2.403 20 0 BEADMP c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996691 385594782 /nfs/dbraw/zinc/59/47/82/385594782.db2.gz MCCRATQBGIGFLN-LSDHHAIUSA-N 2 1 230.355 2.403 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)[C@@H]1C ZINC000336650098 385604083 /nfs/dbraw/zinc/60/40/83/385604083.db2.gz DLMNUWGYZLETME-NMKXLXIOSA-N 2 1 222.376 2.105 20 0 BEADMP CC[C@H](C[NH2+]C[C@@H](C)CC)[NH+]1CCCC1 ZINC000093056125 385578322 /nfs/dbraw/zinc/57/83/22/385578322.db2.gz CZRZOJNNKSOWPF-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](C)CC1 ZINC000309498757 385624817 /nfs/dbraw/zinc/62/48/17/385624817.db2.gz ZEEMCFUUVZBVNF-SECBINFHSA-N 2 1 238.297 2.401 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)CC[N@@H+]1C ZINC000309506161 385642898 /nfs/dbraw/zinc/64/28/98/385642898.db2.gz VYDBCQQQKYKDHO-ZRJCITRHSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)CC[N@H+]1C ZINC000309506161 385642910 /nfs/dbraw/zinc/64/29/10/385642910.db2.gz VYDBCQQQKYKDHO-ZRJCITRHSA-N 2 1 222.376 2.247 20 0 BEADMP C([NH2+][C@@H]1CCC12CCC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000337399693 385648519 /nfs/dbraw/zinc/64/85/19/385648519.db2.gz PEZLIFTZOIISPA-TZMCWYRMSA-N 2 1 234.387 2.393 20 0 BEADMP C[N@H+](Cc1cc(Cl)cs1)C1CC([NH3+])C1 ZINC000307045469 385650965 /nfs/dbraw/zinc/65/09/65/385650965.db2.gz VQUZDIWULJPWMQ-UHFFFAOYSA-N 2 1 230.764 2.323 20 0 BEADMP C[N@@H+](Cc1cc(Cl)cs1)C1CC([NH3+])C1 ZINC000307045469 385650970 /nfs/dbraw/zinc/65/09/70/385650970.db2.gz VQUZDIWULJPWMQ-UHFFFAOYSA-N 2 1 230.764 2.323 20 0 BEADMP CCS[C@@H]1CCCC[N@@H+](CCC[NH2+]C)C1 ZINC000309540729 385673768 /nfs/dbraw/zinc/67/37/68/385673768.db2.gz YFCLINMSDPHISE-GFCCVEGCSA-N 2 1 230.421 2.204 20 0 BEADMP Clc1ccc(CC[NH2+][C@@H]2CCC[NH2+]C2)s1 ZINC000226355576 385688372 /nfs/dbraw/zinc/68/83/72/385688372.db2.gz FYXQCYULPZVVIG-SECBINFHSA-N 2 1 244.791 2.286 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCOCC1)C1CCCCC1 ZINC000414853716 385688739 /nfs/dbraw/zinc/68/87/39/385688739.db2.gz SVKGZPCWPZEQRC-KGLIPLIRSA-N 2 1 240.391 2.053 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@H]1CCCOCC1)C1CCCCC1 ZINC000414853715 385689212 /nfs/dbraw/zinc/68/92/12/385689212.db2.gz SVKGZPCWPZEQRC-KBPBESRZSA-N 2 1 240.391 2.053 20 0 BEADMP [NH3+]C[C@@H]([NH2+]Cc1cccnc1)C1CCCCC1 ZINC000414855920 385707511 /nfs/dbraw/zinc/70/75/11/385707511.db2.gz XXJYUYXWOVTYPI-CQSZACIVSA-N 2 1 233.359 2.079 20 0 BEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H]2C[C@H]2C)C1 ZINC000336691814 385729918 /nfs/dbraw/zinc/72/99/18/385729918.db2.gz WYZJPLUFHVWFMT-MGPQQGTHSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000335496109 385734796 /nfs/dbraw/zinc/73/47/96/385734796.db2.gz LKWIVSCCVISRJL-PELKAZGASA-N 2 1 224.735 2.264 20 0 BEADMP Clc1ccsc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414859238 385741159 /nfs/dbraw/zinc/74/11/59/385741159.db2.gz TVBGOXWNQKCPLR-SECBINFHSA-N 2 1 244.791 2.491 20 0 BEADMP COc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414859284 385741914 /nfs/dbraw/zinc/74/19/14/385741914.db2.gz UBPWWDVNUGJPSS-QWHCGFSZSA-N 2 1 248.370 2.173 20 0 BEADMP CC[N@H+](CCn1cc[nH+]c1C)CC(C)C ZINC000270789398 385744796 /nfs/dbraw/zinc/74/47/96/385744796.db2.gz CDCMIIVQMPUKSF-UHFFFAOYSA-N 2 1 209.337 2.169 20 0 BEADMP CC[N@@H+](CCn1cc[nH+]c1C)CC(C)C ZINC000270789398 385744797 /nfs/dbraw/zinc/74/47/97/385744797.db2.gz CDCMIIVQMPUKSF-UHFFFAOYSA-N 2 1 209.337 2.169 20 0 BEADMP C1CC1[C@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000414862699 385752449 /nfs/dbraw/zinc/75/24/49/385752449.db2.gz HLQWSKKLQKDFLP-BFHYXJOUSA-N 2 1 222.376 2.297 20 0 BEADMP C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414865317 385768851 /nfs/dbraw/zinc/76/88/51/385768851.db2.gz KPRAEVRKSKRUPO-UWVGGRQHSA-N 2 1 238.297 2.449 20 0 BEADMP C[C@@H](CCC(F)(F)F)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414866234 385774673 /nfs/dbraw/zinc/77/46/73/385774673.db2.gz MRQZLSLYRHKZNB-IUCAKERBSA-N 2 1 224.270 2.059 20 0 BEADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCF ZINC000309669477 385784891 /nfs/dbraw/zinc/78/48/91/385784891.db2.gz VKFYSKKSTUKEFL-CHWSQXEVSA-N 2 1 230.371 2.446 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000336735774 385721766 /nfs/dbraw/zinc/72/17/66/385721766.db2.gz MAWKXCMBFYPEIA-OLZOCXBDSA-N 2 1 244.448 2.450 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000336735774 385721771 /nfs/dbraw/zinc/72/17/71/385721771.db2.gz MAWKXCMBFYPEIA-OLZOCXBDSA-N 2 1 244.448 2.450 20 0 BEADMP COc1ccc(C)cc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414954550 385829311 /nfs/dbraw/zinc/82/93/11/385829311.db2.gz SQVHGOHINBEJBX-JSGCOSHPSA-N 2 1 248.370 2.234 20 0 BEADMP Cc1ccncc1[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000271587649 385839936 /nfs/dbraw/zinc/83/99/36/385839936.db2.gz SJMOEHIWQQODKJ-CHWSQXEVSA-N 2 1 235.375 2.381 20 0 BEADMP CC(C)CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228475162 385841331 /nfs/dbraw/zinc/84/13/31/385841331.db2.gz NUCLYPABRYEUJQ-YNEHKIRRSA-N 2 1 210.365 2.092 20 0 BEADMP CCC[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)OC ZINC000638115763 385851453 /nfs/dbraw/zinc/85/14/53/385851453.db2.gz FYYOFSZPRHDMAM-MGPQQGTHSA-N 2 1 242.407 2.216 20 0 BEADMP CCC[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)OC ZINC000638115763 385851458 /nfs/dbraw/zinc/85/14/58/385851458.db2.gz FYYOFSZPRHDMAM-MGPQQGTHSA-N 2 1 242.407 2.216 20 0 BEADMP CCC[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)OC ZINC000638115763 385851460 /nfs/dbraw/zinc/85/14/60/385851460.db2.gz FYYOFSZPRHDMAM-MGPQQGTHSA-N 2 1 242.407 2.216 20 0 BEADMP CCC[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)OC ZINC000638115763 385851463 /nfs/dbraw/zinc/85/14/63/385851463.db2.gz FYYOFSZPRHDMAM-MGPQQGTHSA-N 2 1 242.407 2.216 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(C)cn1 ZINC000337946615 385854206 /nfs/dbraw/zinc/85/42/06/385854206.db2.gz OZBPKGAQSIOPFL-UHFFFAOYSA-N 2 1 244.342 2.075 20 0 BEADMP C[C@H](CCc1ccsc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414867137 385792340 /nfs/dbraw/zinc/79/23/40/385792340.db2.gz GFBNJYDXTFQBJO-ZYHUDNBSSA-N 2 1 224.373 2.021 20 0 BEADMP COc1cccc(Cl)c1C[NH2+][C@H](C)CC[NH3+] ZINC000414874519 385886521 /nfs/dbraw/zinc/88/65/21/385886521.db2.gz BCSSSBTWIPIOBW-SECBINFHSA-N 2 1 242.750 2.176 20 0 BEADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccncc1 ZINC000218794491 385908428 /nfs/dbraw/zinc/90/84/28/385908428.db2.gz ZPLZWBCJLXKLMH-CYBMUJFWSA-N 2 1 235.375 2.463 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccncc1 ZINC000218794491 385908429 /nfs/dbraw/zinc/90/84/29/385908429.db2.gz ZPLZWBCJLXKLMH-CYBMUJFWSA-N 2 1 235.375 2.463 20 0 BEADMP CC[C@H](C[NH2+]C[C@@H]1C[C@@H]1C)[NH+]1CCCC1 ZINC000336741659 385866893 /nfs/dbraw/zinc/86/68/93/385866893.db2.gz VYDUXGNLDQENJE-RWMBFGLXSA-N 2 1 210.365 2.106 20 0 BEADMP COCCCCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814789 385869198 /nfs/dbraw/zinc/86/91/98/385869198.db2.gz GDTWOHCHJUYJIC-UHFFFAOYSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@H]([NH2+]C1CCCC1)c1c[nH+]ccc1N ZINC000335037707 385928427 /nfs/dbraw/zinc/92/84/27/385928427.db2.gz DYIVXHPTSPYNHL-VIFPVBQESA-N 2 1 205.305 2.087 20 0 BEADMP Cc1ccncc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000232655268 385883075 /nfs/dbraw/zinc/88/30/75/385883075.db2.gz DOIPQVVUSODYTA-UHFFFAOYSA-N 2 1 235.375 2.210 20 0 BEADMP Cc1ccncc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000232655268 385883077 /nfs/dbraw/zinc/88/30/77/385883077.db2.gz DOIPQVVUSODYTA-UHFFFAOYSA-N 2 1 235.375 2.210 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1c[nH+]ccc1N ZINC000335018274 385975719 /nfs/dbraw/zinc/97/57/19/385975719.db2.gz RXSCVCHUSSOYSI-BXKDBHETSA-N 2 1 219.332 2.333 20 0 BEADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cccnc1 ZINC000221037855 385978291 /nfs/dbraw/zinc/97/82/91/385978291.db2.gz VHJOJBDVKQKDBZ-ZDUSSCGKSA-N 2 1 235.375 2.463 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cccnc1 ZINC000221037855 385978298 /nfs/dbraw/zinc/97/82/98/385978298.db2.gz VHJOJBDVKQKDBZ-ZDUSSCGKSA-N 2 1 235.375 2.463 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]C/C=C/c1ccccc1 ZINC000414972698 385988630 /nfs/dbraw/zinc/98/86/30/385988630.db2.gz BISNYNKZMUZTJA-PPGNKHEKSA-N 2 1 204.317 2.027 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000335041405 385933098 /nfs/dbraw/zinc/93/30/98/385933098.db2.gz PWPFXVMRJWBKHU-VXGBXAGGSA-N 2 1 224.735 2.309 20 0 BEADMP Cc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1C ZINC000414878219 385934951 /nfs/dbraw/zinc/93/49/51/385934951.db2.gz GTKBGZAXALHSSU-UHFFFAOYSA-N 2 1 218.344 2.274 20 0 BEADMP COc1ccccc1/C=C\C[NH2+]CC1([NH3+])CCC1 ZINC000414878321 385936076 /nfs/dbraw/zinc/93/60/76/385936076.db2.gz HCLNEPOWAXKREI-DAXSKMNVSA-N 2 1 246.354 2.179 20 0 BEADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1cccc(F)c1 ZINC000342088541 385937063 /nfs/dbraw/zinc/93/70/63/385937063.db2.gz AAOSGZUVQVPTKK-JTQLQIEISA-N 2 1 222.307 2.358 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC=C(C)CC1 ZINC000338281343 385946456 /nfs/dbraw/zinc/94/64/56/385946456.db2.gz DGXMULVJYGHWMV-UHFFFAOYSA-N 2 1 210.365 2.370 20 0 BEADMP CC[NH+](CC)CCC[N@@H+]1CC=C(C)CC1 ZINC000338281343 385946464 /nfs/dbraw/zinc/94/64/64/385946464.db2.gz DGXMULVJYGHWMV-UHFFFAOYSA-N 2 1 210.365 2.370 20 0 BEADMP CC[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)[C@@H]1C[C@@H]1C ZINC000414085906 385953841 /nfs/dbraw/zinc/95/38/41/385953841.db2.gz YXYIQZYIDLLNQL-AHLTXXRQSA-N 2 1 224.392 2.351 20 0 BEADMP CC[NH+](CC)CCC[N@@H+]1CCC12CCC2 ZINC000338312903 385964296 /nfs/dbraw/zinc/96/42/96/385964296.db2.gz GTJDZXXCURFSCF-UHFFFAOYSA-N 2 1 210.365 2.347 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CCC12CCC2 ZINC000338312903 385964302 /nfs/dbraw/zinc/96/43/02/385964302.db2.gz GTJDZXXCURFSCF-UHFFFAOYSA-N 2 1 210.365 2.347 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000335013360 385969069 /nfs/dbraw/zinc/96/90/69/385969069.db2.gz UEBFBFPMVWTYNZ-KGLIPLIRSA-N 2 1 233.359 2.140 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000414882050 386002514 /nfs/dbraw/zinc/00/25/14/386002514.db2.gz LVOQYWONSFTLSS-MBNYWOFBSA-N 2 1 218.344 2.130 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1cccc2cccnc21 ZINC000414980523 386055783 /nfs/dbraw/zinc/05/57/83/386055783.db2.gz PNWZSAQCABYQMX-ZDUSSCGKSA-N 2 1 229.327 2.062 20 0 BEADMP C[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)[C@H]1CC1(C)C ZINC000336752165 386015351 /nfs/dbraw/zinc/01/53/51/386015351.db2.gz VMWUBNSQXOILQV-CYZMBNFOSA-N 2 1 224.392 2.351 20 0 BEADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccnc1 ZINC000414185507 386024627 /nfs/dbraw/zinc/02/46/27/386024627.db2.gz OTDAYPUSAYMWGX-ZIAGYGMSSA-N 2 1 247.386 2.464 20 0 BEADMP C[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@H]1C[C@H]1C ZINC000414157058 386043142 /nfs/dbraw/zinc/04/31/42/386043142.db2.gz XGIWUFRNALTLKW-UPJWGTAASA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@H]1C[C@H]1C ZINC000414157058 386043147 /nfs/dbraw/zinc/04/31/47/386043147.db2.gz XGIWUFRNALTLKW-UPJWGTAASA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000414164629 386048423 /nfs/dbraw/zinc/04/84/23/386048423.db2.gz BAHKDCPKVUCVRU-REWJHTLYSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000414164629 386048427 /nfs/dbraw/zinc/04/84/27/386048427.db2.gz BAHKDCPKVUCVRU-REWJHTLYSA-N 2 1 224.392 2.493 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414980487 386052283 /nfs/dbraw/zinc/05/22/83/386052283.db2.gz ADUPBPLIRWLCGK-AWEZNQCLSA-N 2 1 218.344 2.391 20 0 BEADMP CO[C@@H](C[N@H+]1CCC[C@H](c2ncc[nH]2)C1)C1CC1 ZINC000425419634 385996814 /nfs/dbraw/zinc/99/68/14/385996814.db2.gz QRAPCWWELYHIJA-STQMWFEESA-N 2 1 249.358 2.014 20 0 BEADMP Cc1csc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000335164185 386105677 /nfs/dbraw/zinc/10/56/77/386105677.db2.gz OTTVKAJQHHAZLT-QWRGUYRKSA-N 2 1 210.346 2.026 20 0 BEADMP CCc1cc(OC)ccc1C[NH2+]C[C@@H]([NH3+])CC ZINC000414987131 386107762 /nfs/dbraw/zinc/10/77/62/386107762.db2.gz KGYZDAJUNFXUIM-ZDUSSCGKSA-N 2 1 236.359 2.085 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000414987124 386108947 /nfs/dbraw/zinc/10/89/47/386108947.db2.gz KFIUMLBLGQXPPB-CQSZACIVSA-N 2 1 248.370 2.302 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1c(C)cccc1C ZINC000414986751 386115004 /nfs/dbraw/zinc/11/50/04/386115004.db2.gz YEOMSAXAMXAGGE-LBPRGKRZSA-N 2 1 206.333 2.130 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1cc(F)cc2cccnc21 ZINC000414987245 386116399 /nfs/dbraw/zinc/11/63/99/386116399.db2.gz YPGWBQAOXMNLPI-ZDUSSCGKSA-N 2 1 247.317 2.201 20 0 BEADMP Cc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)c(C)c1 ZINC000414890030 386119007 /nfs/dbraw/zinc/11/90/07/386119007.db2.gz GYEYSYBALMEALC-CQSZACIVSA-N 2 1 218.344 2.130 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H]2C2CC2)CC1 ZINC000414207268 386061508 /nfs/dbraw/zinc/06/15/08/386061508.db2.gz ZKJHWYWZUNNCCT-UKRRQHHQSA-N 2 1 236.403 2.497 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H]2C2CC2)CC1 ZINC000414207264 386061989 /nfs/dbraw/zinc/06/19/89/386061989.db2.gz ZKJHWYWZUNNCCT-DZGCQCFKSA-N 2 1 236.403 2.497 20 0 BEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCOC(C)(C)C)CC1 ZINC000365382121 386071816 /nfs/dbraw/zinc/07/18/16/386071816.db2.gz WJBNXTBYDMREMJ-CYBMUJFWSA-N 2 1 242.407 2.218 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC2(C)C)[C@H]2CCC[C@H]21 ZINC000414217394 386073821 /nfs/dbraw/zinc/07/38/21/386073821.db2.gz CCSCJFYWAXFXHA-XQHKEYJVSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H](CCc1ccccc1F)[NH2+][C@H]1CC[NH2+]C1 ZINC000414886494 386075318 /nfs/dbraw/zinc/07/53/18/386075318.db2.gz PZFWXWJVPNEQKU-YPMHNXCESA-N 2 1 236.334 2.098 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1cccc(OC(C)C)c1 ZINC000414987922 386122429 /nfs/dbraw/zinc/12/24/29/386122429.db2.gz ZLLWUSDJCKDHNE-ZDUSSCGKSA-N 2 1 236.359 2.301 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CS[C@H](C)C2)[C@H](C)C1 ZINC000414228073 386077616 /nfs/dbraw/zinc/07/76/16/386077616.db2.gz LKFNRXSAYISUGH-NDBYEHHHSA-N 2 1 242.432 2.200 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000414886997 386083096 /nfs/dbraw/zinc/08/30/96/386083096.db2.gz WHWQDARSYVRFNF-HIFRSBDPSA-N 2 1 247.386 2.340 20 0 BEADMP C[C@H]([NH2+]C1CCSCC1)c1c[nH+]ccc1N ZINC000335156187 386150464 /nfs/dbraw/zinc/15/04/64/386150464.db2.gz LYQQKTITBGXXOT-VIFPVBQESA-N 2 1 237.372 2.040 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)[C@H]1C ZINC000414893029 386155781 /nfs/dbraw/zinc/15/57/81/386155781.db2.gz QSPKIPKQDPKCGA-MROQNXINSA-N 2 1 210.365 2.153 20 0 BEADMP Cc1cc(Cl)ccc1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414894212 386170101 /nfs/dbraw/zinc/17/01/01/386170101.db2.gz SLARWIBACISNBI-CYBMUJFWSA-N 2 1 238.762 2.475 20 0 BEADMP CCOC[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414686903 386176371 /nfs/dbraw/zinc/17/63/71/386176371.db2.gz BTGZDVDHGUWMHF-KGLIPLIRSA-N 2 1 242.407 2.108 20 0 BEADMP CCOC[C@@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414686903 386176376 /nfs/dbraw/zinc/17/63/76/386176376.db2.gz BTGZDVDHGUWMHF-KGLIPLIRSA-N 2 1 242.407 2.108 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000310429083 386184517 /nfs/dbraw/zinc/18/45/17/386184517.db2.gz MSKQCNUTWGXNMQ-CHWSQXEVSA-N 2 1 242.407 2.262 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000310429083 386184523 /nfs/dbraw/zinc/18/45/23/386184523.db2.gz MSKQCNUTWGXNMQ-CHWSQXEVSA-N 2 1 242.407 2.262 20 0 BEADMP CO[C@H](C)C[N@@H+](C[C@H]([NH3+])CC(C)C)C(C)C ZINC000414691393 386188252 /nfs/dbraw/zinc/18/82/52/386188252.db2.gz BOJXCHARHXUBSJ-CHWSQXEVSA-N 2 1 230.396 2.105 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414328832 386125005 /nfs/dbraw/zinc/12/50/05/386125005.db2.gz CTMJQMQISORYRZ-DHGKCCLASA-N 2 1 248.370 2.454 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@@H](C)C1 ZINC000414335091 386128006 /nfs/dbraw/zinc/12/80/06/386128006.db2.gz IZMKKGFLGZRAAZ-REWJHTLYSA-N 2 1 248.370 2.455 20 0 BEADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647874409 386135006 /nfs/dbraw/zinc/13/50/06/386135006.db2.gz RZFCFJDUKODIBQ-RYUDHWBXSA-N 2 1 236.334 2.428 20 0 BEADMP CO[C@H](C)C[N@@H+](C[C@@H]([NH3+])CC(C)C)C(C)C ZINC000414691394 386189329 /nfs/dbraw/zinc/18/93/29/386189329.db2.gz BOJXCHARHXUBSJ-OLZOCXBDSA-N 2 1 230.396 2.105 20 0 BEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414344294 386135987 /nfs/dbraw/zinc/13/59/87/386135987.db2.gz ROZOWDLSTJMVRP-UMSGYPCISA-N 2 1 234.343 2.065 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414344294 386135990 /nfs/dbraw/zinc/13/59/90/386135990.db2.gz ROZOWDLSTJMVRP-UMSGYPCISA-N 2 1 234.343 2.065 20 0 BEADMP [NH3+][C@@H](C[NH2+]C/C=C\c1ccccc1)C1CC1 ZINC000414891011 386137723 /nfs/dbraw/zinc/13/77/23/386137723.db2.gz HUYGYXZONSHKOI-ZBKLQPJUSA-N 2 1 216.328 2.027 20 0 BEADMP Cc1cccc(C[NH2+]C[C@H]([NH3+])C2CC2)c1C ZINC000414896545 386204623 /nfs/dbraw/zinc/20/46/23/386204623.db2.gz PHKBIGHZWABHIC-AWEZNQCLSA-N 2 1 218.344 2.130 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000414702301 386206759 /nfs/dbraw/zinc/20/67/59/386206759.db2.gz IGMWHLIQIHCCCU-CHWSQXEVSA-N 2 1 244.448 2.433 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000414702301 386206764 /nfs/dbraw/zinc/20/67/64/386206764.db2.gz IGMWHLIQIHCCCU-CHWSQXEVSA-N 2 1 244.448 2.433 20 0 BEADMP C[C@H](c1ccccn1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414702603 386211563 /nfs/dbraw/zinc/21/15/63/386211563.db2.gz ICUZAHJLTBWGLW-MCIONIFRSA-N 2 1 247.386 2.463 20 0 BEADMP C[C@]1(c2ccccc2)CCC[N@@H+](CCC[NH3+])C1 ZINC000414704707 386213472 /nfs/dbraw/zinc/21/34/72/386213472.db2.gz WJZYKWIDHIXNDL-HNNXBMFYSA-N 2 1 232.371 2.389 20 0 BEADMP C[C@@]1(c2ccccc2)CCC[N@@H+](CCC[NH3+])C1 ZINC000414704709 386213812 /nfs/dbraw/zinc/21/38/12/386213812.db2.gz WJZYKWIDHIXNDL-OAHLLOKOSA-N 2 1 232.371 2.389 20 0 BEADMP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCC[NH3+] ZINC000414707115 386216369 /nfs/dbraw/zinc/21/63/69/386216369.db2.gz PBKJOHPPOVUFOY-WCQYABFASA-N 2 1 236.334 2.352 20 0 BEADMP CC[C@H](C[N@H+]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000347028712 386220628 /nfs/dbraw/zinc/22/06/28/386220628.db2.gz VWDBSXWWFHBUOT-ZIAGYGMSSA-N 2 1 232.371 2.461 20 0 BEADMP [NH3+]CCC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000414708640 386225698 /nfs/dbraw/zinc/22/56/98/386225698.db2.gz QGSPBAKFTQZRJI-CYBMUJFWSA-N 2 1 236.334 2.039 20 0 BEADMP Fc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000132240082 386229978 /nfs/dbraw/zinc/22/99/78/386229978.db2.gz XGPUVMQANRUYSW-SNVBAGLBSA-N 2 1 240.297 2.054 20 0 BEADMP CC(C)(C)C[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647882632 386234461 /nfs/dbraw/zinc/23/44/61/386234461.db2.gz HSGABDGIDCGDKI-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)(C)C[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647882634 386234629 /nfs/dbraw/zinc/23/46/29/386234629.db2.gz HSGABDGIDCGDKI-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP FCC1([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000335390867 386237079 /nfs/dbraw/zinc/23/70/79/386237079.db2.gz BOQYVCUELXUPTA-NWDGAFQWSA-N 2 1 226.339 2.095 20 0 BEADMP FCC1([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000335390867 386237083 /nfs/dbraw/zinc/23/70/83/386237083.db2.gz BOQYVCUELXUPTA-NWDGAFQWSA-N 2 1 226.339 2.095 20 0 BEADMP CCSCC[N@@H+](C)[C@H]1CCN(C)C[C@@H]1C ZINC000336648796 386260553 /nfs/dbraw/zinc/26/05/53/386260553.db2.gz PPWGSARFHVPBII-RYUDHWBXSA-N 2 1 230.421 2.012 20 0 BEADMP CCSCC[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000336648796 386260556 /nfs/dbraw/zinc/26/05/56/386260556.db2.gz PPWGSARFHVPBII-RYUDHWBXSA-N 2 1 230.421 2.012 20 0 BEADMP CCSCC[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000336648796 386260560 /nfs/dbraw/zinc/26/05/60/386260560.db2.gz PPWGSARFHVPBII-RYUDHWBXSA-N 2 1 230.421 2.012 20 0 BEADMP CCSCC[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000336648796 386260563 /nfs/dbraw/zinc/26/05/63/386260563.db2.gz PPWGSARFHVPBII-RYUDHWBXSA-N 2 1 230.421 2.012 20 0 BEADMP CCSCC[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000336648796 386260564 /nfs/dbraw/zinc/26/05/64/386260564.db2.gz PPWGSARFHVPBII-RYUDHWBXSA-N 2 1 230.421 2.012 20 0 BEADMP CCc1nc(C)c([C@H](C)[N@H+](C)CCC[NH3+])s1 ZINC000414717061 386240327 /nfs/dbraw/zinc/24/03/27/386240327.db2.gz XLZAKMNXWFNCHO-JTQLQIEISA-N 2 1 241.404 2.356 20 0 BEADMP CCc1nc(C)c([C@H](C)[N@@H+](C)CCC[NH3+])s1 ZINC000414717061 386240333 /nfs/dbraw/zinc/24/03/33/386240333.db2.gz XLZAKMNXWFNCHO-JTQLQIEISA-N 2 1 241.404 2.356 20 0 BEADMP C[C@H]1SCC[N@@H+](CCC2CC[NH2+]CC2)[C@@H]1C ZINC000132526082 386240699 /nfs/dbraw/zinc/24/06/99/386240699.db2.gz YPQKENNBTPTURS-VXGBXAGGSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1c2c(F)cccc2CC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647885851 386286990 /nfs/dbraw/zinc/28/69/90/386286990.db2.gz YGADSQJXTMUSEB-NEPJUHHUSA-N 2 1 248.345 2.354 20 0 BEADMP C[C@@H]1c2c(F)cccc2CC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647885851 386286995 /nfs/dbraw/zinc/28/69/95/386286995.db2.gz YGADSQJXTMUSEB-NEPJUHHUSA-N 2 1 248.345 2.354 20 0 BEADMP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@@H](C)[NH3+] ZINC000647885810 386287014 /nfs/dbraw/zinc/28/70/14/386287014.db2.gz SPMDJOGBIFSYLQ-BXUZGUMPSA-N 2 1 218.344 2.343 20 0 BEADMP CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](C)[NH3+] ZINC000647885810 386287021 /nfs/dbraw/zinc/28/70/21/386287021.db2.gz SPMDJOGBIFSYLQ-BXUZGUMPSA-N 2 1 218.344 2.343 20 0 BEADMP C[C@@H]1c2ccc(F)cc2CC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647886652 386299900 /nfs/dbraw/zinc/29/99/00/386299900.db2.gz FZFWJYMTYPJIAP-NEPJUHHUSA-N 2 1 248.345 2.354 20 0 BEADMP C[C@@H]1c2ccc(F)cc2CC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647886652 386299905 /nfs/dbraw/zinc/29/99/05/386299905.db2.gz FZFWJYMTYPJIAP-NEPJUHHUSA-N 2 1 248.345 2.354 20 0 BEADMP C[C@H]1C[C@H]1C[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000309736804 386313719 /nfs/dbraw/zinc/31/37/19/386313719.db2.gz CNFZAJNPCGOHBF-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2C(F)F)CC[NH2+]1 ZINC000414738324 386316425 /nfs/dbraw/zinc/31/64/25/386316425.db2.gz JCVRETLQOCFTTB-GRYCIOLGSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2C(F)F)CC[NH2+]1 ZINC000414738324 386316430 /nfs/dbraw/zinc/31/64/30/386316430.db2.gz JCVRETLQOCFTTB-GRYCIOLGSA-N 2 1 246.345 2.494 20 0 BEADMP c1cc2c(s1)CCC[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000647884610 386263857 /nfs/dbraw/zinc/26/38/57/386263857.db2.gz OBUXZNSJBCMYEF-NSHDSACASA-N 2 1 236.384 2.106 20 0 BEADMP CSC1(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000340572806 386264099 /nfs/dbraw/zinc/26/40/99/386264099.db2.gz NWUROYKLLSUSOS-RYUDHWBXSA-N 2 1 242.432 2.297 20 0 BEADMP CSC1(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000340572806 386264103 /nfs/dbraw/zinc/26/41/03/386264103.db2.gz NWUROYKLLSUSOS-RYUDHWBXSA-N 2 1 242.432 2.297 20 0 BEADMP CSC1(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000340572806 386264104 /nfs/dbraw/zinc/26/41/04/386264104.db2.gz NWUROYKLLSUSOS-RYUDHWBXSA-N 2 1 242.432 2.297 20 0 BEADMP CSC1(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000340572806 386264107 /nfs/dbraw/zinc/26/41/07/386264107.db2.gz NWUROYKLLSUSOS-RYUDHWBXSA-N 2 1 242.432 2.297 20 0 BEADMP CC(C)Oc1ccccc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000347182075 386272148 /nfs/dbraw/zinc/27/21/48/386272148.db2.gz VXUMVIFKTAXXIW-CYBMUJFWSA-N 2 1 248.370 2.254 20 0 BEADMP Cn1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000289199619 386272927 /nfs/dbraw/zinc/27/29/27/386272927.db2.gz BIRJFVIXEXZJLH-YIONKMFJSA-N 2 1 247.386 2.082 20 0 BEADMP Cn1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000289199619 386272931 /nfs/dbraw/zinc/27/29/31/386272931.db2.gz BIRJFVIXEXZJLH-YIONKMFJSA-N 2 1 247.386 2.082 20 0 BEADMP Cn1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000289199619 386272937 /nfs/dbraw/zinc/27/29/37/386272937.db2.gz BIRJFVIXEXZJLH-YIONKMFJSA-N 2 1 247.386 2.082 20 0 BEADMP Cn1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000289199619 386272944 /nfs/dbraw/zinc/27/29/44/386272944.db2.gz BIRJFVIXEXZJLH-YIONKMFJSA-N 2 1 247.386 2.082 20 0 BEADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2CC2(C)C)CC[NH2+]1 ZINC000414741520 386324150 /nfs/dbraw/zinc/32/41/50/386324150.db2.gz MNYYBZLLZOINKV-IJLUTSLNSA-N 2 1 210.365 2.105 20 0 BEADMP CN(CC[C@H]1CCC[N@H+]1C)CCC(F)(F)F ZINC000336687006 386348045 /nfs/dbraw/zinc/34/80/45/386348045.db2.gz XETJMCBHKGBBEU-SNVBAGLBSA-N 2 1 238.297 2.355 20 0 BEADMP C[NH+]1CCC(Nc2cc(C3CC3)cc[nH+]2)CC1 ZINC000289749088 386349707 /nfs/dbraw/zinc/34/97/07/386349707.db2.gz IBFFTWZKTXDTMG-UHFFFAOYSA-N 2 1 231.343 2.465 20 0 BEADMP C[N@H+](Cc1cc2ccccc2o1)C[C@@H]1CC[NH2+]C1 ZINC000647889299 386357097 /nfs/dbraw/zinc/35/70/97/386357097.db2.gz CQFPUQSJJYSKSO-GFCCVEGCSA-N 2 1 244.338 2.474 20 0 BEADMP Fc1cc(F)cc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414904907 386359876 /nfs/dbraw/zinc/35/98/76/386359876.db2.gz MRJSEWMAIVFVSA-CYBMUJFWSA-N 2 1 240.297 2.197 20 0 BEADMP Cn1cccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289835214 386362986 /nfs/dbraw/zinc/36/29/86/386362986.db2.gz UJQJHLYEHAQGLY-NNQSOWQGSA-N 2 1 247.386 2.082 20 0 BEADMP Cn1cccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289835214 386362996 /nfs/dbraw/zinc/36/29/96/386362996.db2.gz UJQJHLYEHAQGLY-NNQSOWQGSA-N 2 1 247.386 2.082 20 0 BEADMP Cn1cccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289835214 386363001 /nfs/dbraw/zinc/36/30/01/386363001.db2.gz UJQJHLYEHAQGLY-NNQSOWQGSA-N 2 1 247.386 2.082 20 0 BEADMP Cn1cccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289835214 386363007 /nfs/dbraw/zinc/36/30/07/386363007.db2.gz UJQJHLYEHAQGLY-NNQSOWQGSA-N 2 1 247.386 2.082 20 0 BEADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647889972 386363276 /nfs/dbraw/zinc/36/32/76/386363276.db2.gz CDCZOTCMALWEMK-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]([NH3+])C[NH+]1CCC(C2CCCC2)CC1 ZINC000647890168 386367993 /nfs/dbraw/zinc/36/79/93/386367993.db2.gz WJXUSOOKQVBECZ-LLVKDONJSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@]1(c2ccccc2)CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647890170 386368311 /nfs/dbraw/zinc/36/83/11/386368311.db2.gz WSOIPYCXMNFCPP-GDBMZVCRSA-N 2 1 244.382 2.260 20 0 BEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccoc2C)C1 ZINC000414418031 386370191 /nfs/dbraw/zinc/37/01/91/386370191.db2.gz YQLPHINLUFEXEO-CYBMUJFWSA-N 2 1 236.359 2.362 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccoc2C)C1 ZINC000414418031 386370197 /nfs/dbraw/zinc/37/01/97/386370197.db2.gz YQLPHINLUFEXEO-CYBMUJFWSA-N 2 1 236.359 2.362 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccoc2C)C1 ZINC000414418031 386370201 /nfs/dbraw/zinc/37/02/01/386370201.db2.gz YQLPHINLUFEXEO-CYBMUJFWSA-N 2 1 236.359 2.362 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccoc2C)C1 ZINC000414418031 386370208 /nfs/dbraw/zinc/37/02/08/386370208.db2.gz YQLPHINLUFEXEO-CYBMUJFWSA-N 2 1 236.359 2.362 20 0 BEADMP CC[N@@H+](C)CCNc1cc(C)nc(C2CC2)n1 ZINC000265293688 386326807 /nfs/dbraw/zinc/32/68/07/386326807.db2.gz BVHJAGFGBRCBTN-UHFFFAOYSA-N 2 1 234.347 2.026 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@](C)(F)C1 ZINC000347397179 386385882 /nfs/dbraw/zinc/38/58/82/386385882.db2.gz YVFHKADIEMNBHB-GFCCVEGCSA-N 2 1 225.311 2.016 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@](C)(F)C1 ZINC000347397179 386385887 /nfs/dbraw/zinc/38/58/87/386385887.db2.gz YVFHKADIEMNBHB-GFCCVEGCSA-N 2 1 225.311 2.016 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000230045737 386335193 /nfs/dbraw/zinc/33/51/93/386335193.db2.gz CJUGFXOBRUGASE-AEGPPILISA-N 2 1 248.345 2.385 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000414910362 386436934 /nfs/dbraw/zinc/43/69/34/386436934.db2.gz CMDICYZXJDHMCR-XJFOESAGSA-N 2 1 224.392 2.400 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+]1CCCCOc1ccccc1 ZINC000339410146 386413328 /nfs/dbraw/zinc/41/33/28/386413328.db2.gz QFIMDVRKVHCKBV-CQSZACIVSA-N 2 1 248.370 2.269 20 0 BEADMP [NH3+]C[C@H]1CCC[N@H+]1CCCCOc1ccccc1 ZINC000339410146 386413336 /nfs/dbraw/zinc/41/33/36/386413336.db2.gz QFIMDVRKVHCKBV-CQSZACIVSA-N 2 1 248.370 2.269 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000442664586 386420995 /nfs/dbraw/zinc/42/09/95/386420995.db2.gz MNYGRXUINYDJFF-SCRDCRAPSA-N 2 1 218.344 2.212 20 0 BEADMP C[C@H]1CCCC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414761496 386421117 /nfs/dbraw/zinc/42/11/17/386421117.db2.gz TZIDBBKUQHJDTG-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H]1CCCC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414761496 386421122 /nfs/dbraw/zinc/42/11/22/386421122.db2.gz TZIDBBKUQHJDTG-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H](Cc1ccncc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000347416888 386421599 /nfs/dbraw/zinc/42/15/99/386421599.db2.gz PGZONTJGHVUCID-VNHYZAJKSA-N 2 1 247.386 2.085 20 0 BEADMP C[C@H](Cc1ccncc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000347416888 386421601 /nfs/dbraw/zinc/42/16/01/386421601.db2.gz PGZONTJGHVUCID-VNHYZAJKSA-N 2 1 247.386 2.085 20 0 BEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC2CC2)C1 ZINC000336710394 386425273 /nfs/dbraw/zinc/42/52/73/386425273.db2.gz YYVXWPOAHDMOOT-AWEZNQCLSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000336710394 386425285 /nfs/dbraw/zinc/42/52/85/386425285.db2.gz YYVXWPOAHDMOOT-AWEZNQCLSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc(O)c2)CC1 ZINC000277434257 386434477 /nfs/dbraw/zinc/43/44/77/386434477.db2.gz JRRASPMFLQVTAJ-AWEZNQCLSA-N 2 1 248.370 2.308 20 0 BEADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc(O)c2)CC1 ZINC000277434257 386434481 /nfs/dbraw/zinc/43/44/81/386434481.db2.gz JRRASPMFLQVTAJ-AWEZNQCLSA-N 2 1 248.370 2.308 20 0 BEADMP CC[C@H]1C[N@@H+](Cc2ccc(C)nc2C)CC[C@H]1[NH3+] ZINC000647934379 386471977 /nfs/dbraw/zinc/47/19/77/386471977.db2.gz CQEPVKNIAQYODB-DZGCQCFKSA-N 2 1 247.386 2.258 20 0 BEADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)CC[C@H]1[NH3+] ZINC000647934369 386472304 /nfs/dbraw/zinc/47/23/04/386472304.db2.gz CDDABYTUTIGYMC-MGPQQGTHSA-N 2 1 240.391 2.005 20 0 BEADMP CC[C@@H]1C[N@@H+](Cc2ccc(C)nc2C)CC[C@@H]1[NH3+] ZINC000647934380 386473795 /nfs/dbraw/zinc/47/37/95/386473795.db2.gz CQEPVKNIAQYODB-HIFRSBDPSA-N 2 1 247.386 2.258 20 0 BEADMP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccn1 ZINC000391194719 386473844 /nfs/dbraw/zinc/47/38/44/386473844.db2.gz RCEOAKWVZKCGNZ-NJZAAPMLSA-N 2 1 247.386 2.208 20 0 BEADMP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccn1 ZINC000391194719 386473853 /nfs/dbraw/zinc/47/38/53/386473853.db2.gz RCEOAKWVZKCGNZ-NJZAAPMLSA-N 2 1 247.386 2.208 20 0 BEADMP C[C@H](C[N@@H+](C)C1CC([NH3+])C1)c1ccc(F)cc1 ZINC000414776347 386474329 /nfs/dbraw/zinc/47/43/29/386474329.db2.gz NGGBXJQCTASCKZ-GWMXKSKGSA-N 2 1 236.334 2.351 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000415019257 386493579 /nfs/dbraw/zinc/49/35/79/386493579.db2.gz RTXIOLQVAGOQGQ-RYUDHWBXSA-N 2 1 248.370 2.301 20 0 BEADMP Cc1cccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])c1C ZINC000415015497 386499499 /nfs/dbraw/zinc/49/94/99/386499499.db2.gz YUZVSSOVEFGKLO-NEPJUHHUSA-N 2 1 206.333 2.129 20 0 BEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc(OC(F)F)c1 ZINC000415015706 386499866 /nfs/dbraw/zinc/49/98/66/386499866.db2.gz YYRANPXKDRPDHR-RKDXNWHRSA-N 2 1 244.285 2.113 20 0 BEADMP CC[C@@H](C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000414782448 386503743 /nfs/dbraw/zinc/50/37/43/386503743.db2.gz DSUASTZFGZBANQ-IMJJTQAJSA-N 2 1 244.382 2.474 20 0 BEADMP CC[C@@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000414782448 386503745 /nfs/dbraw/zinc/50/37/45/386503745.db2.gz DSUASTZFGZBANQ-IMJJTQAJSA-N 2 1 244.382 2.474 20 0 BEADMP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414782459 386504223 /nfs/dbraw/zinc/50/42/23/386504223.db2.gz DTBDYMXZVPSUNA-HZSPNIEDSA-N 2 1 224.392 2.352 20 0 BEADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414782459 386504226 /nfs/dbraw/zinc/50/42/26/386504226.db2.gz DTBDYMXZVPSUNA-HZSPNIEDSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CCC[C@@H](C)C1 ZINC000415050484 386505566 /nfs/dbraw/zinc/50/55/66/386505566.db2.gz CWZZBTQGWYSFDC-XQHKEYJVSA-N 2 1 210.365 2.234 20 0 BEADMP CCc1cc(NCC[N@H+](CC)C2CC2)nc(C)n1 ZINC000227865299 386519649 /nfs/dbraw/zinc/51/96/49/386519649.db2.gz JDADMMODXUWWNN-UHFFFAOYSA-N 2 1 248.374 2.244 20 0 BEADMP CCc1cc(NCC[N@@H+](CC)C2CC2)nc(C)[nH+]1 ZINC000227865299 386519653 /nfs/dbraw/zinc/51/96/53/386519653.db2.gz JDADMMODXUWWNN-UHFFFAOYSA-N 2 1 248.374 2.244 20 0 BEADMP CCc1cc(NCC[N@H+](CC)C2CC2)nc(C)[nH+]1 ZINC000227865299 386519658 /nfs/dbraw/zinc/51/96/58/386519658.db2.gz JDADMMODXUWWNN-UHFFFAOYSA-N 2 1 248.374 2.244 20 0 BEADMP CC[C@H](C)C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415032415 386519793 /nfs/dbraw/zinc/51/97/93/386519793.db2.gz AKKKHPBHVHISAH-AEGPPILISA-N 2 1 232.371 2.378 20 0 BEADMP Cc1cc(C)cc(C[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000414787283 386522811 /nfs/dbraw/zinc/52/28/11/386522811.db2.gz CDEYQQNSJYQSND-CQSZACIVSA-N 2 1 220.360 2.376 20 0 BEADMP CCCc1cccc(C[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000414799046 386574648 /nfs/dbraw/zinc/57/46/48/386574648.db2.gz DCBJVRSPWVFNIN-OAHLLOKOSA-N 2 1 232.371 2.466 20 0 BEADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccccn2)CC1 ZINC000335415102 386581998 /nfs/dbraw/zinc/58/19/98/386581998.db2.gz WCSQWWGUZWJYKW-UHFFFAOYSA-N 2 1 245.370 2.142 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC000414921360 386585227 /nfs/dbraw/zinc/58/52/27/386585227.db2.gz DLOWLDBCLFWBDD-UTUOFQBUSA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)Oc1cccc(C[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000414800877 386586084 /nfs/dbraw/zinc/58/60/84/386586084.db2.gz LNRGYOKGYXKXLX-OAHLLOKOSA-N 2 1 248.370 2.301 20 0 BEADMP CCc1cc(OC)ccc1C[NH2+]CC(C)(C)[NH3+] ZINC000414800397 386586493 /nfs/dbraw/zinc/58/64/93/386586493.db2.gz HXRBIXFHFABZQP-UHFFFAOYSA-N 2 1 236.359 2.085 20 0 BEADMP CCCC[N@H+]1C[C@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337043375 386592261 /nfs/dbraw/zinc/59/22/61/386592261.db2.gz CVEFKETZJLARFP-LSDHHAIUSA-N 2 1 232.371 2.461 20 0 BEADMP Cc1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1 ZINC000415044859 386531914 /nfs/dbraw/zinc/53/19/14/386531914.db2.gz BGAYTGBOPOMUPQ-CYBMUJFWSA-N 2 1 220.360 2.458 20 0 BEADMP C[C@]1(C[N@H+]2CCCc3ccccc3C2)CC[NH2+]C1 ZINC000062946197 386534656 /nfs/dbraw/zinc/53/46/56/386534656.db2.gz PFPWCMMGWKIOPL-INIZCTEOSA-N 2 1 244.382 2.434 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789070 386536146 /nfs/dbraw/zinc/53/61/46/386536146.db2.gz XUFANYGWCGZELO-MELADBBJSA-N 2 1 224.392 2.354 20 0 BEADMP CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](CCN)C1 ZINC000647995412 386539599 /nfs/dbraw/zinc/53/95/99/386539599.db2.gz VVLGEQQQTKVPKV-RYUDHWBXSA-N 2 1 210.365 2.093 20 0 BEADMP CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](CC[NH3+])C1 ZINC000647995412 386539606 /nfs/dbraw/zinc/53/96/06/386539606.db2.gz VVLGEQQQTKVPKV-RYUDHWBXSA-N 2 1 210.365 2.093 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCC23CC3)C1 ZINC000519710490 386543449 /nfs/dbraw/zinc/54/34/49/386543449.db2.gz NSOLOWADUSNXDY-STQMWFEESA-N 2 1 222.376 2.251 20 0 BEADMP Cc1cc(C)cc(C[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000414790789 386546453 /nfs/dbraw/zinc/54/64/53/386546453.db2.gz AJENOAAUGQIVLH-AWEZNQCLSA-N 2 1 218.344 2.130 20 0 BEADMP [NH3+]C[C@@H]([NH2+]Cc1ccsc1)C1CCCC1 ZINC000415065560 386547347 /nfs/dbraw/zinc/54/73/47/386547347.db2.gz NAXLBJFJEKMHJM-GFCCVEGCSA-N 2 1 224.373 2.355 20 0 BEADMP CCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975302 386550079 /nfs/dbraw/zinc/55/00/79/386550079.db2.gz VNNXJHPPAJRXTC-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP CC(C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647974878 386555890 /nfs/dbraw/zinc/55/58/90/386555890.db2.gz AEWLAVCMRPSYAD-QWHCGFSZSA-N 2 1 210.365 2.106 20 0 BEADMP [NH3+]C[C@@H]([NH2+]C/C=C/c1ccccc1)C1CC1 ZINC000414793021 386560107 /nfs/dbraw/zinc/56/01/07/386560107.db2.gz CYBSNLQDURFVGK-BTKRWWFXSA-N 2 1 216.328 2.027 20 0 BEADMP Cc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1Cl ZINC000414796442 386566335 /nfs/dbraw/zinc/56/63/35/386566335.db2.gz ANJKVAMUYGHOGE-CYBMUJFWSA-N 2 1 238.762 2.475 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C[C@H]1C ZINC000414924274 386620998 /nfs/dbraw/zinc/62/09/98/386620998.db2.gz IODWOOKTZVVCNE-XHJNMGKDSA-N 2 1 224.392 2.399 20 0 BEADMP [NH3+]C[C@H]([NH2+]Cc1cccc(Cl)c1)C1CC1 ZINC000414808745 386624513 /nfs/dbraw/zinc/62/45/13/386624513.db2.gz SSHCEDOLTPEENT-LBPRGKRZSA-N 2 1 224.735 2.167 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCOC2CCCC2)CC[N@H+]1C ZINC000156146854 386625594 /nfs/dbraw/zinc/62/55/94/386625594.db2.gz RUICNPXDCJYEDF-CHWSQXEVSA-N 2 1 240.391 2.018 20 0 BEADMP C[NH2+]CCC[N@H+](C)Cc1ccc(C)c(OC)c1 ZINC000415126910 386625930 /nfs/dbraw/zinc/62/59/30/386625930.db2.gz QLSCVDUPNXLPPI-UHFFFAOYSA-N 2 1 236.359 2.045 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(C)c(OC)c1 ZINC000415126910 386625936 /nfs/dbraw/zinc/62/59/36/386625936.db2.gz QLSCVDUPNXLPPI-UHFFFAOYSA-N 2 1 236.359 2.045 20 0 BEADMP C[C@H]1CC(C)(C)C[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415127045 386626509 /nfs/dbraw/zinc/62/65/09/386626509.db2.gz RKFOPLUKZOQFBL-AGIUHOORSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000414924673 386627728 /nfs/dbraw/zinc/62/77/28/386627728.db2.gz IYEGKUSVEKLETF-ZOBORPQBSA-N 2 1 224.392 2.400 20 0 BEADMP C[C@H]1CC(C)(C)C[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415127047 386629043 /nfs/dbraw/zinc/62/90/43/386629043.db2.gz RKFOPLUKZOQFBL-FRRDWIJNSA-N 2 1 224.392 2.495 20 0 BEADMP CCc1ccc(CC[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000442759902 386630012 /nfs/dbraw/zinc/63/00/12/386630012.db2.gz SPXRBCGITHWYBN-CJNGLKHVSA-N 2 1 246.398 2.461 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]CCC(C)(C)C)CC1 ZINC000336758422 386634684 /nfs/dbraw/zinc/63/46/84/386634684.db2.gz JVAHGDYLNDGKRN-UHFFFAOYSA-N 2 1 210.365 2.274 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCC1(C)C ZINC000336758817 386641902 /nfs/dbraw/zinc/64/19/02/386641902.db2.gz JZMAXHOZUBKXRC-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H](C[NH3+])C2CC2)C1 ZINC000414812869 386642585 /nfs/dbraw/zinc/64/25/85/386642585.db2.gz PVPLFOZHAYFZQK-MDZLAQPJSA-N 2 1 210.365 2.140 20 0 BEADMP Cc1cc[nH+]c(NC2CC[NH+](C3CC3)CC2)c1 ZINC000268319920 386642678 /nfs/dbraw/zinc/64/26/78/386642678.db2.gz MROCYMGRDOQFGU-UHFFFAOYSA-N 2 1 231.343 2.429 20 0 BEADMP C[C@H](C[NH2+][C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000414815736 386651957 /nfs/dbraw/zinc/65/19/57/386651957.db2.gz UVESCBWTHWORTC-RISCZKNCSA-N 2 1 218.344 2.117 20 0 BEADMP [NH3+]C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000414803112 386600013 /nfs/dbraw/zinc/60/00/13/386600013.db2.gz JHXNPVIABGZCTG-SOUVJXGZSA-N 2 1 230.355 2.117 20 0 BEADMP Cc1cccc(C)c1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414803901 386606013 /nfs/dbraw/zinc/60/60/13/386606013.db2.gz XAQIVDKMRZTKEC-CQSZACIVSA-N 2 1 220.360 2.376 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@@H](C[NH3+])C2CC2)cc1C ZINC000414804300 386609380 /nfs/dbraw/zinc/60/93/80/386609380.db2.gz OOLKDFMNQXRODJ-HNNXBMFYSA-N 2 1 232.371 2.439 20 0 BEADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000453427422 386610249 /nfs/dbraw/zinc/61/02/49/386610249.db2.gz ZOYWZOWNCJMZCE-REWJHTLYSA-N 2 1 240.391 2.016 20 0 BEADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000453427422 386610258 /nfs/dbraw/zinc/61/02/58/386610258.db2.gz ZOYWZOWNCJMZCE-REWJHTLYSA-N 2 1 240.391 2.016 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)C1CC1 ZINC000414807423 386617937 /nfs/dbraw/zinc/61/79/37/386617937.db2.gz QYXBSALLLMEMSR-MJBXVCDLSA-N 2 1 222.376 2.282 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@H]1CCC[C@H](C2CC2)C1)C1CC1 ZINC000414807419 386618925 /nfs/dbraw/zinc/61/89/25/386618925.db2.gz QYXBSALLLMEMSR-IHRRRGAJSA-N 2 1 222.376 2.282 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C[C@@H]1C ZINC000414924272 386619203 /nfs/dbraw/zinc/61/92/03/386619203.db2.gz IODWOOKTZVVCNE-PEBLQZBPSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000414926740 386664971 /nfs/dbraw/zinc/66/49/71/386664971.db2.gz KPEXQJQOSIPSRW-SWHYSGLUSA-N 2 1 236.334 2.399 20 0 BEADMP CC[NH2+]CC[NH2+]CCCCOc1ccccc1 ZINC000414820104 386665689 /nfs/dbraw/zinc/66/56/89/386665689.db2.gz AGSQMOKHSVZKOU-UHFFFAOYSA-N 2 1 236.359 2.045 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000041232047 386666518 /nfs/dbraw/zinc/66/65/18/386666518.db2.gz WQRSHSSGHFHCFB-UHFFFAOYSA-N 2 1 218.344 2.099 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CCC[NH2+]CC2)c1 ZINC000041232047 386666519 /nfs/dbraw/zinc/66/65/19/386666519.db2.gz WQRSHSSGHFHCFB-UHFFFAOYSA-N 2 1 218.344 2.099 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000414822007 386670596 /nfs/dbraw/zinc/67/05/96/386670596.db2.gz FZFVPEMITMTTHD-AEGPPILISA-N 2 1 232.371 2.378 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+]C1CCC(OC)CC1 ZINC000414819292 386672006 /nfs/dbraw/zinc/67/20/06/386672006.db2.gz YJBINZAPKUTNKO-OTTFEQOBSA-N 2 1 228.380 2.051 20 0 BEADMP COc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414818099 386656830 /nfs/dbraw/zinc/65/68/30/386656830.db2.gz USRZCCDCDJPHRK-PBWFPOADSA-N 2 1 246.354 2.068 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnc(C(C)C)s1 ZINC000414830806 386710712 /nfs/dbraw/zinc/71/07/12/386710712.db2.gz CLCLBPOYEFOOPI-SNVBAGLBSA-N 2 1 241.404 2.212 20 0 BEADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)C[NH3+])CCC2 ZINC000335469298 386686782 /nfs/dbraw/zinc/68/67/82/386686782.db2.gz YGGYOKCKILVYFZ-BXUZGUMPSA-N 2 1 218.344 2.309 20 0 BEADMP CCC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C1CCC1 ZINC000324926149 386693360 /nfs/dbraw/zinc/69/33/60/386693360.db2.gz MKQAWRXDCQWKJC-QWHCGFSZSA-N 2 1 210.365 2.297 20 0 BEADMP CC[C@@H](C)[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000337260813 386694312 /nfs/dbraw/zinc/69/43/12/386694312.db2.gz XKODXWDSCRPPTK-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH2+]CC[NH2+]C1CCC(C(C)C)CC1 ZINC000414829244 386702413 /nfs/dbraw/zinc/70/24/13/386702413.db2.gz MBEPDJTYODKQGN-UHFFFAOYSA-N 2 1 212.381 2.400 20 0 BEADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC000414927969 386707380 /nfs/dbraw/zinc/70/73/80/386707380.db2.gz MVMAEHHTIVLGQB-SDDRHHMPSA-N 2 1 200.370 2.384 20 0 BEADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC000414927967 386707524 /nfs/dbraw/zinc/70/75/24/386707524.db2.gz MVMAEHHTIVLGQB-QJPTWQEYSA-N 2 1 200.370 2.384 20 0 BEADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000357067278 386707765 /nfs/dbraw/zinc/70/77/65/386707765.db2.gz DMKMMOKKEOCKLW-AWEZNQCLSA-N 2 1 240.391 2.006 20 0 BEADMP CCNCC[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000414836184 386732186 /nfs/dbraw/zinc/73/21/86/386732186.db2.gz VUYJMKNMHVLEED-OLZOCXBDSA-N 2 1 220.360 2.378 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000414836184 386732192 /nfs/dbraw/zinc/73/21/92/386732192.db2.gz VUYJMKNMHVLEED-OLZOCXBDSA-N 2 1 220.360 2.378 20 0 BEADMP CCNCC[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000414836181 386732656 /nfs/dbraw/zinc/73/26/56/386732656.db2.gz VUYJMKNMHVLEED-CHWSQXEVSA-N 2 1 220.360 2.378 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000414836181 386732663 /nfs/dbraw/zinc/73/26/63/386732663.db2.gz VUYJMKNMHVLEED-CHWSQXEVSA-N 2 1 220.360 2.378 20 0 BEADMP CC(C)CC[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000414929482 386737088 /nfs/dbraw/zinc/73/70/88/386737088.db2.gz NYUJBOPHJMTHRI-AVGNSLFASA-N 2 1 212.381 2.399 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414929700 386738050 /nfs/dbraw/zinc/73/80/50/386738050.db2.gz OXOOBEMRXSSOGI-YUELXQCFSA-N 2 1 232.371 2.434 20 0 BEADMP CCC[C@@H](Cc1ccccc1)[NH2+]CC[NH2+]C ZINC000414833608 386713578 /nfs/dbraw/zinc/71/35/78/386713578.db2.gz SQIQISZPGPHAMI-AWEZNQCLSA-N 2 1 220.360 2.207 20 0 BEADMP CC[NH2+]CC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000414831893 386715905 /nfs/dbraw/zinc/71/59/05/386715905.db2.gz PWSXVCKEZDCGHV-STQMWFEESA-N 2 1 210.365 2.154 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414929696 386740316 /nfs/dbraw/zinc/74/03/16/386740316.db2.gz OXOOBEMRXSSOGI-VHDGCEQUSA-N 2 1 232.371 2.434 20 0 BEADMP Cc1cc[nH+]c(NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000044537847 386724339 /nfs/dbraw/zinc/72/43/39/386724339.db2.gz KZQXEYYVVBEUDE-GFCCVEGCSA-N 2 1 219.332 2.144 20 0 BEADMP Cc1cc[nH+]c(NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000044537847 386724343 /nfs/dbraw/zinc/72/43/43/386724343.db2.gz KZQXEYYVVBEUDE-GFCCVEGCSA-N 2 1 219.332 2.144 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](CC)C[C@@H](C)CC ZINC000414835563 386727952 /nfs/dbraw/zinc/72/79/52/386727952.db2.gz VDOKHXVVPRGKOV-NWDGAFQWSA-N 2 1 200.370 2.400 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H](C)CCc1ccccc1F ZINC000414929150 386728225 /nfs/dbraw/zinc/72/82/25/386728225.db2.gz NYWNXRLALSMYFN-WDEREUQCSA-N 2 1 224.323 2.084 20 0 BEADMP C[C@H](C[NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000414840101 386745666 /nfs/dbraw/zinc/74/56/66/386745666.db2.gz GLNNTYUPEVAKLN-RISCZKNCSA-N 2 1 236.334 2.271 20 0 BEADMP C[C@@H](C[NH2+]C[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000414840103 386746258 /nfs/dbraw/zinc/74/62/58/386746258.db2.gz GLNNTYUPEVAKLN-SMDDNHRTSA-N 2 1 236.334 2.271 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000335537717 386742760 /nfs/dbraw/zinc/74/27/60/386742760.db2.gz BBOPMJHIWCGSDZ-WCQYABFASA-N 2 1 222.376 2.439 20 0 BEADMP CC(C)C1CC([NH2+][C@H]2CCC[NH2+][C@H]2C)C1 ZINC000335538117 386743041 /nfs/dbraw/zinc/74/30/41/386743041.db2.gz GINYRYKMHIZAMQ-WTIISPKJSA-N 2 1 210.365 2.151 20 0 BEADMP Cc1ccncc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397259240 386772128 /nfs/dbraw/zinc/77/21/28/386772128.db2.gz GQAFCUSFRGGFQM-RDBSUJKOSA-N 2 1 247.386 2.195 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC1(C)C ZINC000336666504 386778970 /nfs/dbraw/zinc/77/89/70/386778970.db2.gz DLOASOGNUXHFFU-LBPRGKRZSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)[C@@H]1CC[C@H]([NH2+][C@H](C)C[NH3+])C[C@H]1C ZINC000414933461 386783672 /nfs/dbraw/zinc/78/36/72/386783672.db2.gz UFYACWJNKTUNLX-NDBYEHHHSA-N 2 1 212.381 2.384 20 0 BEADMP CSC1(C[NH2+]CC(C)(C)[NH+](C)C)CCC1 ZINC000336668074 386788382 /nfs/dbraw/zinc/78/83/82/386788382.db2.gz FAVKDWPLMNISSA-UHFFFAOYSA-N 2 1 230.421 2.202 20 0 BEADMP Cc1cc(C[NH2+][C@@H](C)C[NH3+])ccc1C(F)(F)F ZINC000414934860 386801185 /nfs/dbraw/zinc/80/11/85/386801185.db2.gz AMKZPPBXGMLVQL-VIFPVBQESA-N 2 1 246.276 2.451 20 0 BEADMP CCc1cc(N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc[nH+]1 ZINC000334790247 386853094 /nfs/dbraw/zinc/85/30/94/386853094.db2.gz MJNXZWLNSIKTCV-DOMZBBRYSA-N 2 1 245.370 2.174 20 0 BEADMP CC[C@H](O)CCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000398503314 386834474 /nfs/dbraw/zinc/83/44/74/386834474.db2.gz KNKAPQKFSQSGDR-TUKIKUTGSA-N 2 1 248.370 2.272 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H]2SC)C1 ZINC000425339402 386840272 /nfs/dbraw/zinc/84/02/72/386840272.db2.gz CMWXOWQZOJUBOP-FRRDWIJNSA-N 2 1 242.432 2.202 20 0 BEADMP CCc1cc(N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc[nH+]1 ZINC000334790258 386854139 /nfs/dbraw/zinc/85/41/39/386854139.db2.gz MJNXZWLNSIKTCV-WFASDCNBSA-N 2 1 245.370 2.174 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000334790791 386856893 /nfs/dbraw/zinc/85/68/93/386856893.db2.gz VZJINCPJKMOCTG-KBPBESRZSA-N 2 1 233.359 2.456 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000334790791 386856899 /nfs/dbraw/zinc/85/68/99/386856899.db2.gz VZJINCPJKMOCTG-KBPBESRZSA-N 2 1 233.359 2.456 20 0 BEADMP CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000334846677 386894074 /nfs/dbraw/zinc/89/40/74/386894074.db2.gz KJMGVFZSTAGMBP-QWRGUYRKSA-N 2 1 246.345 2.400 20 0 BEADMP Cc1cncc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c1 ZINC000293741727 386871237 /nfs/dbraw/zinc/87/12/37/386871237.db2.gz QRXGDMFVCLCEPS-CHWSQXEVSA-N 2 1 235.375 2.238 20 0 BEADMP Cc1occc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000334835748 386877119 /nfs/dbraw/zinc/87/71/19/386877119.db2.gz JASNWRHJIOVHPC-AWEZNQCLSA-N 2 1 234.343 2.116 20 0 BEADMP Cc1occc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000334835748 386877125 /nfs/dbraw/zinc/87/71/25/386877125.db2.gz JASNWRHJIOVHPC-AWEZNQCLSA-N 2 1 234.343 2.116 20 0 BEADMP Cc1occc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000334835748 386877132 /nfs/dbraw/zinc/87/71/32/386877132.db2.gz JASNWRHJIOVHPC-AWEZNQCLSA-N 2 1 234.343 2.116 20 0 BEADMP Cc1occc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000334835748 386877138 /nfs/dbraw/zinc/87/71/38/386877138.db2.gz JASNWRHJIOVHPC-AWEZNQCLSA-N 2 1 234.343 2.116 20 0 BEADMP CC1([NH2+]Cc2ccccc2F)CC[NH2+]CC1 ZINC000334842510 386888232 /nfs/dbraw/zinc/88/82/32/386888232.db2.gz LMXMYTUGSGHHFK-UHFFFAOYSA-N 2 1 222.307 2.057 20 0 BEADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC000334847948 386896130 /nfs/dbraw/zinc/89/61/30/386896130.db2.gz YQMBMWVMRSMCJZ-UWVGGRQHSA-N 2 1 240.297 2.324 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC000334847947 386897169 /nfs/dbraw/zinc/89/71/69/386897169.db2.gz YQMBMWVMRSMCJZ-NXEZZACHSA-N 2 1 240.297 2.324 20 0 BEADMP C[C@H]1CC(C)(C)C[N@H+]1CC1CC[NH2+]CC1 ZINC000334856446 386908577 /nfs/dbraw/zinc/90/85/77/386908577.db2.gz XPBAATXZVRSCCD-NSHDSACASA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000334857864 386910922 /nfs/dbraw/zinc/91/09/22/386910922.db2.gz PNQYGSNRRLWTLR-RNCFNFMXSA-N 2 1 240.297 2.052 20 0 BEADMP Cc1ccc(F)c(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000334858851 386911585 /nfs/dbraw/zinc/91/15/85/386911585.db2.gz WIQFXIXCICZYMA-RISCZKNCSA-N 2 1 236.334 2.222 20 0 BEADMP CSC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000304315971 386973186 /nfs/dbraw/zinc/97/31/86/386973186.db2.gz RIPOTSWWIGCFHG-UHFFFAOYSA-N 2 1 240.416 2.098 20 0 BEADMP CS[C@H]1CC[C@@H]1[NH2+]CCC[N@@H+](C)C(C)C ZINC000425359397 386977443 /nfs/dbraw/zinc/97/74/43/386977443.db2.gz PXXPEUNPIYTMNL-RYUDHWBXSA-N 2 1 230.421 2.200 20 0 BEADMP C[N@@H+](CCCCCF)C[C@H]1CCC[NH+](C)C1 ZINC000341883275 386985263 /nfs/dbraw/zinc/98/52/63/386985263.db2.gz NUFWCLGHQZKPSB-CYBMUJFWSA-N 2 1 230.371 2.400 20 0 BEADMP C[NH+](CCCCCF)C[C@H]1CCC[N@H+](C)C1 ZINC000341883275 386985266 /nfs/dbraw/zinc/98/52/66/386985266.db2.gz NUFWCLGHQZKPSB-CYBMUJFWSA-N 2 1 230.371 2.400 20 0 BEADMP C[NH+](CCCCCF)C[C@H]1CCC[N@@H+](C)C1 ZINC000341883275 386985271 /nfs/dbraw/zinc/98/52/71/386985271.db2.gz NUFWCLGHQZKPSB-CYBMUJFWSA-N 2 1 230.371 2.400 20 0 BEADMP c1ccc2c(c1)CCC[C@@H]2[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107856101 387036534 /nfs/dbraw/zinc/03/65/34/387036534.db2.gz PUJHUFLTTXDVAQ-LZWOXQAQSA-N 2 1 242.366 2.215 20 0 BEADMP CC[N@H+](CC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C)C(C)C ZINC000336764403 387045943 /nfs/dbraw/zinc/04/59/43/387045943.db2.gz PVQGIDAUNSPKPX-FRRDWIJNSA-N 2 1 212.381 2.351 20 0 BEADMP CC[N@@H+](CC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C)C(C)C ZINC000336764403 387045947 /nfs/dbraw/zinc/04/59/47/387045947.db2.gz PVQGIDAUNSPKPX-FRRDWIJNSA-N 2 1 212.381 2.351 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC2CC(F)(F)C2)[C@H](C)C1 ZINC000425957013 387045969 /nfs/dbraw/zinc/04/59/69/387045969.db2.gz ZNQKZYYBVOWSPW-PWSUYJOCSA-N 2 1 246.345 2.352 20 0 BEADMP CC(C)[C@](C)([NH2+]CC[C@H]1CCC[N@H+]1C)C(N)=O ZINC000331344259 387016633 /nfs/dbraw/zinc/01/66/33/387016633.db2.gz LECTZHWCMOOBFF-YPMHNXCESA-N 2 1 241.379 2.010 20 0 BEADMP C(C1CCC1)[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000334983479 387069430 /nfs/dbraw/zinc/06/94/30/387069430.db2.gz MRKFJDNIHQLZGQ-ZIAGYGMSSA-N 2 1 222.376 2.251 20 0 BEADMP C(C1CCC1)[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000334983478 387070036 /nfs/dbraw/zinc/07/00/36/387070036.db2.gz MRKFJDNIHQLZGQ-UONOGXRCSA-N 2 1 222.376 2.251 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000126922775 387074078 /nfs/dbraw/zinc/07/40/78/387074078.db2.gz PRCNGZXCSUWUII-UKRRQHHQSA-N 2 1 232.371 2.473 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000165980751 387075792 /nfs/dbraw/zinc/07/57/92/387075792.db2.gz XEVXFIWERNPMFQ-HIFRSBDPSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000070977042 387085323 /nfs/dbraw/zinc/08/53/23/387085323.db2.gz YWFCVJBBGWFRJN-WCQYABFASA-N 2 1 236.334 2.385 20 0 BEADMP Fc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1F ZINC000228409646 387094369 /nfs/dbraw/zinc/09/43/69/387094369.db2.gz CYHXEMLARAYCPD-UHFFFAOYSA-N 2 1 240.297 2.197 20 0 BEADMP Cc1cc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])ccn1 ZINC000335009718 387105502 /nfs/dbraw/zinc/10/55/02/387105502.db2.gz HKLRRMUZZMPIHI-KGLIPLIRSA-N 2 1 233.359 2.140 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000112706339 387108667 /nfs/dbraw/zinc/10/86/67/387108667.db2.gz IEFHJPYMZNTKOK-CYBMUJFWSA-N 2 1 232.371 2.290 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2CCC[NH2+]CC2)cc1C ZINC000071536595 387109040 /nfs/dbraw/zinc/10/90/40/387109040.db2.gz UPZSPRUDRVNQAA-UHFFFAOYSA-N 2 1 232.371 2.407 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CCC[NH2+]CC2)cc1C ZINC000071536595 387109045 /nfs/dbraw/zinc/10/90/45/387109045.db2.gz UPZSPRUDRVNQAA-UHFFFAOYSA-N 2 1 232.371 2.407 20 0 BEADMP Cc1cncc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000335024217 387115108 /nfs/dbraw/zinc/11/51/08/387115108.db2.gz ARYIGUOTASXWJE-UONOGXRCSA-N 2 1 233.359 2.140 20 0 BEADMP COc1cccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000423310402 387145393 /nfs/dbraw/zinc/14/53/93/387145393.db2.gz AHLVODVCNQWPGU-QMTHXVAHSA-N 2 1 234.343 2.083 20 0 BEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000643495509 387146320 /nfs/dbraw/zinc/14/63/20/387146320.db2.gz IYUXXRZSFSGAPD-FDYHWXHSSA-N 2 1 234.343 2.385 20 0 BEADMP COc1cccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000423310401 387146712 /nfs/dbraw/zinc/14/67/12/387146712.db2.gz AHLVODVCNQWPGU-IINYFYTJSA-N 2 1 234.343 2.083 20 0 BEADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cs1 ZINC000423312862 387151194 /nfs/dbraw/zinc/15/11/94/387151194.db2.gz DXBHLMULUFFKOW-BXKDBHETSA-N 2 1 224.373 2.444 20 0 BEADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(F)c1 ZINC000423313344 387152071 /nfs/dbraw/zinc/15/20/71/387152071.db2.gz FOSVHRSIRGRYNB-RNCFNFMXSA-N 2 1 222.307 2.214 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(C)n1 ZINC000187037482 387152851 /nfs/dbraw/zinc/15/28/51/387152851.db2.gz NVKADUDPOILNBD-AWEZNQCLSA-N 2 1 247.386 2.082 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(C)n1 ZINC000187037482 387152854 /nfs/dbraw/zinc/15/28/54/387152854.db2.gz NVKADUDPOILNBD-AWEZNQCLSA-N 2 1 247.386 2.082 20 0 BEADMP [NH3+][C@@H](C[NH2+][C@@H]1CCCc2c(O)cccc21)C1CC1 ZINC000423315199 387153748 /nfs/dbraw/zinc/15/37/48/387153748.db2.gz IRNMWXMMVNIUNZ-UONOGXRCSA-N 2 1 246.354 2.097 20 0 BEADMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423314448 387155113 /nfs/dbraw/zinc/15/51/13/387155113.db2.gz HHEYXHDDOAXAHW-IAQYHMDHSA-N 2 1 248.370 2.473 20 0 BEADMP [NH3+][C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000536949763 387161080 /nfs/dbraw/zinc/16/10/80/387161080.db2.gz YHQJRFDYJPWBLJ-CQSZACIVSA-N 2 1 218.344 2.390 20 0 BEADMP [NH3+][C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000536949763 387161085 /nfs/dbraw/zinc/16/10/85/387161085.db2.gz YHQJRFDYJPWBLJ-CQSZACIVSA-N 2 1 218.344 2.390 20 0 BEADMP Cc1ccoc1C[NH2+][C@H]1CCN(C)C[C@H]1C ZINC000229265322 387164904 /nfs/dbraw/zinc/16/49/04/387164904.db2.gz IJCGIPFSZWGPGO-NEPJUHHUSA-N 2 1 222.332 2.018 20 0 BEADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccsc1 ZINC000423327914 387171033 /nfs/dbraw/zinc/17/10/33/387171033.db2.gz NHECVYCBOKRXES-VIFPVBQESA-N 2 1 210.346 2.280 20 0 BEADMP Cc1ccc(C[C@H]([NH2+][C@H](C)C[NH3+])C(C)C)cc1 ZINC000423329143 387172503 /nfs/dbraw/zinc/17/25/03/387172503.db2.gz OOAARQWVFGQTAO-HIFRSBDPSA-N 2 1 234.387 2.499 20 0 BEADMP CCO[C@H]1C[C@H]([NH2+][C@H](C)C[NH3+])C12CCCCC2 ZINC000423329552 387173962 /nfs/dbraw/zinc/17/39/62/387173962.db2.gz OSELUCJGJXTKJE-AGIUHOORSA-N 2 1 240.391 2.051 20 0 BEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH3+])C12CCCCC2 ZINC000423329558 387173981 /nfs/dbraw/zinc/17/39/81/387173981.db2.gz OSELUCJGJXTKJE-JHJVBQTASA-N 2 1 240.391 2.051 20 0 BEADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(F)cc1 ZINC000423328808 387174053 /nfs/dbraw/zinc/17/40/53/387174053.db2.gz SKVLEQHGTOPKBE-TVQRCGJNSA-N 2 1 222.307 2.214 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cn1 ZINC000250913933 387177355 /nfs/dbraw/zinc/17/73/55/387177355.db2.gz FSNIWGVXDZPNLP-OSAQELSMSA-N 2 1 247.386 2.208 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cn1 ZINC000250913933 387177357 /nfs/dbraw/zinc/17/73/57/387177357.db2.gz FSNIWGVXDZPNLP-OSAQELSMSA-N 2 1 247.386 2.208 20 0 BEADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)C[NH3+] ZINC000423332006 387178216 /nfs/dbraw/zinc/17/82/16/387178216.db2.gz QRZLZXBJFFSKEL-RISCZKNCSA-N 2 1 238.350 2.330 20 0 BEADMP Cc1ccc([C@H]([NH2+][C@H](C)C[NH3+])C2CC2)cc1 ZINC000423332650 387178431 /nfs/dbraw/zinc/17/84/31/387178431.db2.gz QWJUUGYMUBWNRM-RISCZKNCSA-N 2 1 218.344 2.383 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000571842982 387181082 /nfs/dbraw/zinc/18/10/82/387181082.db2.gz YUXDJVKZWFCMJM-RQJABVFESA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000571842982 387181088 /nfs/dbraw/zinc/18/10/88/387181088.db2.gz YUXDJVKZWFCMJM-RQJABVFESA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000571842982 387181091 /nfs/dbraw/zinc/18/10/91/387181091.db2.gz YUXDJVKZWFCMJM-RQJABVFESA-N 2 1 222.376 2.059 20 0 BEADMP [NH3+]C1(C[NH2+][C@@H](c2cccnc2)C2CCC2)CCC1 ZINC000423333439 387181532 /nfs/dbraw/zinc/18/15/32/387181532.db2.gz RSPMMMZRAWEKHH-CQSZACIVSA-N 2 1 245.370 2.394 20 0 BEADMP [NH3+][C@@H](C[NH2+][C@@H]1CCCOc2ccccc21)C1CC1 ZINC000423338452 387187687 /nfs/dbraw/zinc/18/76/87/387187687.db2.gz ZFHMDOZNHPKCGL-UONOGXRCSA-N 2 1 246.354 2.227 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000423339371 387188512 /nfs/dbraw/zinc/18/85/12/387188512.db2.gz WOJZXTQRADDHLJ-VHSXEESVSA-N 2 1 242.313 2.223 20 0 BEADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1cc2ccccc2o1 ZINC000423301593 387134955 /nfs/dbraw/zinc/13/49/55/387134955.db2.gz HWCYJXFORKHBRW-SNVBAGLBSA-N 2 1 230.311 2.303 20 0 BEADMP COC[C@H](CC(C)C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000359636243 387137932 /nfs/dbraw/zinc/13/79/32/387137932.db2.gz HFUGSZAAFQLKLI-AWEZNQCLSA-N 2 1 244.423 2.367 20 0 BEADMP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000423358434 387210687 /nfs/dbraw/zinc/21/06/87/387210687.db2.gz NFDWZBKHGGITSA-LPWJVIDDSA-N 2 1 210.365 2.153 20 0 BEADMP Cc1nc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cs1 ZINC000423359200 387210832 /nfs/dbraw/zinc/21/08/32/387210832.db2.gz CVSRTHOUTZRJSO-JMJZKYOTSA-N 2 1 239.388 2.372 20 0 BEADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)[C@@H]1C[C@@H]1C ZINC000423357922 387211058 /nfs/dbraw/zinc/21/10/58/387211058.db2.gz IZDHCVOXWWEBEW-IEECTRCBSA-N 2 1 210.365 2.009 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000423363501 387216278 /nfs/dbraw/zinc/21/62/78/387216278.db2.gz JEZPHKHHPRKXEF-BHDSKKPTSA-N 2 1 236.334 2.386 20 0 BEADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423364683 387216732 /nfs/dbraw/zinc/21/67/32/387216732.db2.gz OXQMUTHSRIGVJI-LPWJVIDDSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423364688 387216855 /nfs/dbraw/zinc/21/68/55/387216855.db2.gz OXQMUTHSRIGVJI-XQHKEYJVSA-N 2 1 224.392 2.399 20 0 BEADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ncccc2C)C1 ZINC000093178912 387218430 /nfs/dbraw/zinc/21/84/30/387218430.db2.gz NABVUUZITKKYKQ-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ncccc2C)C1 ZINC000093178912 387218435 /nfs/dbraw/zinc/21/84/35/387218435.db2.gz NABVUUZITKKYKQ-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ncccc2C)C1 ZINC000093178912 387218439 /nfs/dbraw/zinc/21/84/39/387218439.db2.gz NABVUUZITKKYKQ-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC000093178912 387218446 /nfs/dbraw/zinc/21/84/46/387218446.db2.gz NABVUUZITKKYKQ-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ncccc2C)C1 ZINC000093178912 387218449 /nfs/dbraw/zinc/21/84/49/387218449.db2.gz NABVUUZITKKYKQ-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP CC(C)CC(CC(C)C)[NH2+][C@@H](C)C[NH3+] ZINC000423368779 387220679 /nfs/dbraw/zinc/22/06/79/387220679.db2.gz NMRXVURNYMIHOW-NSHDSACASA-N 2 1 200.370 2.384 20 0 BEADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cccc(O)c1 ZINC000423369123 387221839 /nfs/dbraw/zinc/22/18/39/387221839.db2.gz SLSSQESLUHABLC-DGCLKSJQSA-N 2 1 234.343 2.185 20 0 BEADMP CC[NH2+][C@H](C)C[NH2+][C@H]1C[C@H](OC)C1(CC)CC ZINC000423369436 387223098 /nfs/dbraw/zinc/22/30/98/387223098.db2.gz CDLCWVUJRGOJEJ-AGIUHOORSA-N 2 1 242.407 2.168 20 0 BEADMP CC[NH+](CC)CCSC[C@@H]1CC[N@@H+](C)C1 ZINC000187690436 387223189 /nfs/dbraw/zinc/22/31/89/387223189.db2.gz NUILRHXYZKYIHZ-GFCCVEGCSA-N 2 1 230.421 2.013 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)o1 ZINC000423371173 387223614 /nfs/dbraw/zinc/22/36/14/387223614.db2.gz USGDYNDRVYLMSJ-VXGBXAGGSA-N 2 1 222.332 2.381 20 0 BEADMP CC[C@@H](Cc1cccs1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000643497022 387227702 /nfs/dbraw/zinc/22/77/02/387227702.db2.gz QEHSSZBGLYEXML-RYUDHWBXSA-N 2 1 238.400 2.411 20 0 BEADMP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000423425421 387253317 /nfs/dbraw/zinc/25/33/17/387253317.db2.gz GRBBOVMVCKXAFI-SPWCGHHHSA-N 2 1 230.355 2.172 20 0 BEADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@H](C)C[NH3+] ZINC000423326340 387228658 /nfs/dbraw/zinc/22/86/58/387228658.db2.gz MRGKYIGINCQNRE-NQBHXWOUSA-N 2 1 218.344 2.480 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)o1 ZINC000423373686 387229994 /nfs/dbraw/zinc/22/99/94/387229994.db2.gz JIYQQHNBOIVZJX-DLOVCJGASA-N 2 1 222.332 2.379 20 0 BEADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[NH3+])C1 ZINC000423400257 387233967 /nfs/dbraw/zinc/23/39/67/387233967.db2.gz QCCZDNQLKOMPCN-MJBXVCDLSA-N 2 1 247.386 2.353 20 0 BEADMP CC(C)CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000120389285 387234041 /nfs/dbraw/zinc/23/40/41/387234041.db2.gz OQFHUZQDUUAZEJ-UHFFFAOYSA-N 2 1 212.381 2.450 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cccc(O)c1 ZINC000423398753 387235606 /nfs/dbraw/zinc/23/56/06/387235606.db2.gz VKOBLRYIUQSSFG-WZRBSPASSA-N 2 1 234.343 2.183 20 0 BEADMP Cc1ccccc1C[C@H]([NH2+][C@@H](C)C[NH3+])C1CC1 ZINC000423409331 387246463 /nfs/dbraw/zinc/24/64/63/387246463.db2.gz YSKTURXUZPRKQI-WFASDCNBSA-N 2 1 232.371 2.253 20 0 BEADMP CSc1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423422080 387250241 /nfs/dbraw/zinc/25/02/41/387250241.db2.gz CRAWIJCTPJBONR-QQUHWDOBSA-N 2 1 248.395 2.277 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1C ZINC000423427143 387251915 /nfs/dbraw/zinc/25/19/15/387251915.db2.gz IGRYSTUHOSBBCG-RZFFKMDDSA-N 2 1 230.355 2.172 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]C2CC[NH2+]CC2)c(C)n1 ZINC000643496195 387197375 /nfs/dbraw/zinc/19/73/75/387197375.db2.gz RBDSUMKHSIQEPE-LBPRGKRZSA-N 2 1 233.359 2.101 20 0 BEADMP Cc1ccnc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000423349308 387201311 /nfs/dbraw/zinc/20/13/11/387201311.db2.gz VMZKGHDMYHVRFA-ZFWWWQNUSA-N 2 1 247.386 2.430 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1ccc(OC)cc1 ZINC000423462126 387311533 /nfs/dbraw/zinc/31/15/33/387311533.db2.gz KIMSETGGRHHCOF-GXTWGEPZSA-N 2 1 236.359 2.473 20 0 BEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1C[C@H]1C ZINC000321903022 387312852 /nfs/dbraw/zinc/31/28/52/387312852.db2.gz NYSWDCSEBISATE-JRBXHMHVSA-N 2 1 222.376 2.246 20 0 BEADMP COC[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)C(C)C ZINC000423378339 387258984 /nfs/dbraw/zinc/25/89/84/387258984.db2.gz FRKNUNVXGGYUAJ-OLZOCXBDSA-N 2 1 242.407 2.025 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CCCC2CC2)CC[N@H+]1C ZINC000161713446 387259253 /nfs/dbraw/zinc/25/92/53/387259253.db2.gz WSAYBROODFHCRM-AAEUAGOBSA-N 2 1 210.365 2.249 20 0 BEADMP COC[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)C(C)C ZINC000423378342 387259643 /nfs/dbraw/zinc/25/96/43/387259643.db2.gz FRKNUNVXGGYUAJ-QWHCGFSZSA-N 2 1 242.407 2.025 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CCCC2CC2)CC[N@H+]1C ZINC000161713193 387259818 /nfs/dbraw/zinc/25/98/18/387259818.db2.gz WSAYBROODFHCRM-WCQYABFASA-N 2 1 210.365 2.249 20 0 BEADMP CCCOc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423376985 387260721 /nfs/dbraw/zinc/26/07/21/387260721.db2.gz VJMJNXAZTYXRPF-RYUDHWBXSA-N 2 1 236.359 2.473 20 0 BEADMP COc1ccc([C@@H]([NH2+][C@@H](C)C[NH3+])C(C)C)cc1 ZINC000423380410 387261741 /nfs/dbraw/zinc/26/17/41/387261741.db2.gz YRSKUIBECDJYMX-FZMZJTMJSA-N 2 1 236.359 2.329 20 0 BEADMP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423383395 387266334 /nfs/dbraw/zinc/26/63/34/387266334.db2.gz PCCLWPLGTPTAQM-SGMGOOAPSA-N 2 1 247.386 2.435 20 0 BEADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000423470905 387317387 /nfs/dbraw/zinc/31/73/87/387317387.db2.gz PKKMMMGBWACCGN-NMKXLXIOSA-N 2 1 236.359 2.088 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccccc1)C2 ZINC000263589584 387273328 /nfs/dbraw/zinc/27/33/28/387273328.db2.gz NIFBNIANYCOETB-MUJYYYPQSA-N 2 1 244.382 2.444 20 0 BEADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000423470907 387317845 /nfs/dbraw/zinc/31/78/45/387317845.db2.gz PKKMMMGBWACCGN-UHXUPSOCSA-N 2 1 236.359 2.088 20 0 BEADMP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(F)c1 ZINC000423436148 387286898 /nfs/dbraw/zinc/28/68/98/387286898.db2.gz POAOQXYPZWKPOE-RFQIPJPRSA-N 2 1 234.318 2.084 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1csc(C)c1 ZINC000423440069 387289781 /nfs/dbraw/zinc/28/97/81/387289781.db2.gz AJZWYZRZWBZREQ-KOLCDFICSA-N 2 1 212.362 2.444 20 0 BEADMP CCSCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000121033880 387290768 /nfs/dbraw/zinc/29/07/68/387290768.db2.gz PLJLBKPLNICDAH-GFCCVEGCSA-N 2 1 230.421 2.013 20 0 BEADMP CCSCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000121033880 387290772 /nfs/dbraw/zinc/29/07/72/387290772.db2.gz PLJLBKPLNICDAH-GFCCVEGCSA-N 2 1 230.421 2.013 20 0 BEADMP CCSCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000121033880 387290776 /nfs/dbraw/zinc/29/07/76/387290776.db2.gz PLJLBKPLNICDAH-GFCCVEGCSA-N 2 1 230.421 2.013 20 0 BEADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000423444266 387293393 /nfs/dbraw/zinc/29/33/93/387293393.db2.gz LNLZKBSTSDCOQO-HFAKWTLXSA-N 2 1 248.370 2.398 20 0 BEADMP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(F)cc1 ZINC000423443531 387293662 /nfs/dbraw/zinc/29/36/62/387293662.db2.gz VQOVJIACHAUDKS-RFQIPJPRSA-N 2 1 234.318 2.084 20 0 BEADMP Cc1nc2c(s1)[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])CCC2 ZINC000423441792 387293694 /nfs/dbraw/zinc/29/36/94/387293694.db2.gz JKSIABRQEXZYOX-NQMVMOMDSA-N 2 1 239.388 2.154 20 0 BEADMP Cc1ccsc1[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000423450356 387300365 /nfs/dbraw/zinc/30/03/65/387300365.db2.gz SRQSWFRVOPYZCF-BBBLOLIVSA-N 2 1 212.362 2.443 20 0 BEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc21 ZINC000423454335 387301211 /nfs/dbraw/zinc/30/12/11/387301211.db2.gz LLXHREMCCYGZFJ-NJEAUENSSA-N 2 1 228.339 2.042 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2ccccc21 ZINC000423456528 387303486 /nfs/dbraw/zinc/30/34/86/387303486.db2.gz DKMGQTHAUHBFPO-TZMCWYRMSA-N 2 1 218.344 2.391 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000423456613 387303727 /nfs/dbraw/zinc/30/37/27/387303727.db2.gz DTHPEQXVHMHIBJ-UWVGGRQHSA-N 2 1 239.388 2.156 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000423456949 387303895 /nfs/dbraw/zinc/30/38/95/387303895.db2.gz DZABHEVOWDCEEY-RISCZKNCSA-N 2 1 234.343 2.097 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000423456614 387304433 /nfs/dbraw/zinc/30/44/33/387304433.db2.gz DTHPEQXVHMHIBJ-VHSXEESVSA-N 2 1 239.388 2.156 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2c1cccc2F ZINC000423456104 387304644 /nfs/dbraw/zinc/30/46/44/387304644.db2.gz DEYMDEIHPOPXHA-RNCFNFMXSA-N 2 1 222.307 2.140 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000423461480 387308530 /nfs/dbraw/zinc/30/85/30/387308530.db2.gz JROGTFGCBCJKNT-UBHSHLNASA-N 2 1 236.359 2.090 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)[C@H]1C[C@H]1C ZINC000643502707 387363880 /nfs/dbraw/zinc/36/38/80/387363880.db2.gz ONQDNWGYGCUNON-VOAKCMCISA-N 2 1 210.365 2.153 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2ccccc21 ZINC000423481490 387364546 /nfs/dbraw/zinc/36/45/46/387364546.db2.gz WTESXJWQWRYWOF-WCQYABFASA-N 2 1 204.317 2.001 20 0 BEADMP CC[C@@H](C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423540182 387365800 /nfs/dbraw/zinc/36/58/00/387365800.db2.gz DAJJHZUIZUMWPK-ZJUUUORDSA-N 2 1 207.321 2.191 20 0 BEADMP Cc1cncc([C@H](C)[NH2+]CCC[NH2+]C2CC2)c1 ZINC000423564679 387376866 /nfs/dbraw/zinc/37/68/66/387376866.db2.gz RZRPCHZKQRHGOB-LBPRGKRZSA-N 2 1 233.359 2.183 20 0 BEADMP CCc1cccnc1[C@@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423564918 387376913 /nfs/dbraw/zinc/37/69/13/387376913.db2.gz SLAOGKKJTZHTMP-GFCCVEGCSA-N 2 1 247.386 2.437 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000575512104 387382712 /nfs/dbraw/zinc/38/27/12/387382712.db2.gz KRKKJSZENUJHEB-TZMCWYRMSA-N 2 1 218.344 2.259 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000423476473 387325306 /nfs/dbraw/zinc/32/53/06/387325306.db2.gz SMWJAAIMPBKNGX-AAEUAGOBSA-N 2 1 222.307 2.140 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000423484234 387329113 /nfs/dbraw/zinc/32/91/13/387329113.db2.gz YLHJWMMWXIFKJY-KGLIPLIRSA-N 2 1 233.359 2.250 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000423485381 387330974 /nfs/dbraw/zinc/33/09/74/387330974.db2.gz ZFSKMZAUOOXVQL-WFASDCNBSA-N 2 1 248.370 2.400 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000423485377 387331058 /nfs/dbraw/zinc/33/10/58/387331058.db2.gz ZFSKMZAUOOXVQL-IUODEOHRSA-N 2 1 248.370 2.400 20 0 BEADMP CC[C@@H]([NH2+]Cc1cc(C)cc(N)c1)[C@@H]1CCC[NH2+]1 ZINC000423489013 387334014 /nfs/dbraw/zinc/33/40/14/387334014.db2.gz ZXMMKCALNTUGPL-CABCVRRESA-N 2 1 247.386 2.197 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000515096814 387336648 /nfs/dbraw/zinc/33/66/48/387336648.db2.gz TUDYZPCAZPMTJP-MELADBBJSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000515096814 387336655 /nfs/dbraw/zinc/33/66/55/387336655.db2.gz TUDYZPCAZPMTJP-MELADBBJSA-N 2 1 242.407 2.120 20 0 BEADMP CC1(C)CC[C@@H]1[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423497056 387337533 /nfs/dbraw/zinc/33/75/33/387337533.db2.gz FXKKISOCDBHCNU-NEPJUHHUSA-N 2 1 210.365 2.282 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372989619 387339254 /nfs/dbraw/zinc/33/92/54/387339254.db2.gz LFFZDXHCXHFOFA-ZDUSSCGKSA-N 2 1 212.381 2.449 20 0 BEADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccncc1 ZINC000423502138 387343908 /nfs/dbraw/zinc/34/39/08/387343908.db2.gz LUOZEOXQCBYZSM-RISCZKNCSA-N 2 1 233.359 2.250 20 0 BEADMP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@@H]1C[C@H]1C ZINC000423508654 387345640 /nfs/dbraw/zinc/34/56/40/387345640.db2.gz IXDRIYIRGYOQKA-LKAFINOVSA-N 2 1 244.382 2.376 20 0 BEADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)s1 ZINC000643500829 387346275 /nfs/dbraw/zinc/34/62/75/387346275.db2.gz XZDNXLKLEDCIRG-ONGXEEELSA-N 2 1 239.388 2.102 20 0 BEADMP CC1(C)CCC[C@H]([NH2+]CC[NH2+]C2CC2)C1 ZINC000643506683 387461844 /nfs/dbraw/zinc/46/18/44/387461844.db2.gz FTWIFLOPJOMXSL-LBPRGKRZSA-N 2 1 210.365 2.297 20 0 BEADMP Cc1ccncc1CN(C)CC[C@H]1CCC[N@H+]1C ZINC000361411876 387456698 /nfs/dbraw/zinc/45/66/98/387456698.db2.gz CMSAPRLVSLKYCA-OAHLLOKOSA-N 2 1 247.386 2.306 20 0 BEADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643506911 387459785 /nfs/dbraw/zinc/45/97/85/387459785.db2.gz MIROEFOKNHEXSY-QWHCGFSZSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccoc1 ZINC000643474795 387496830 /nfs/dbraw/zinc/49/68/30/387496830.db2.gz MHUNDDLMGTWEQU-JQWIXIFHSA-N 2 1 208.305 2.072 20 0 BEADMP CO[C@H](C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1)c1ccccc1 ZINC000379181736 387524319 /nfs/dbraw/zinc/52/43/19/387524319.db2.gz GOZMZMXFSFDUDY-VHDGCEQUSA-N 2 1 248.370 2.043 20 0 BEADMP CO[C@@H]1CC[N@H+](CCCC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000309996757 387532561 /nfs/dbraw/zinc/53/25/61/387532561.db2.gz YHRNEVZPNBXNDZ-CHWSQXEVSA-N 2 1 242.407 2.251 20 0 BEADMP CO[C@@H]1CC[N@@H+](CCCC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000309996757 387532566 /nfs/dbraw/zinc/53/25/66/387532566.db2.gz YHRNEVZPNBXNDZ-CHWSQXEVSA-N 2 1 242.407 2.251 20 0 BEADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(CC2(F)CC2)C1 ZINC000527219399 387538046 /nfs/dbraw/zinc/53/80/46/387538046.db2.gz WUWBHSYVJPIPOJ-ZDUSSCGKSA-N 2 1 240.366 2.152 20 0 BEADMP CC[C@@H]1CCC[C@@H]([NH2+]CC[NH2+]C2CC2)C1 ZINC000643507021 387475417 /nfs/dbraw/zinc/47/54/17/387475417.db2.gz QBOLIYADXGPWJA-DGCLKSJQSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H](CCC(F)(F)F)[NH2+]CC[NH2+]C1CC1 ZINC000643507587 387477259 /nfs/dbraw/zinc/47/72/59/387477259.db2.gz JJWOGIZBQQUOTM-QMMMGPOBSA-N 2 1 224.270 2.059 20 0 BEADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507511 387477274 /nfs/dbraw/zinc/47/72/74/387477274.db2.gz HADBKCAVTGFHKI-ZYHUDNBSSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+]CC[NH2+]C2CC2)[C@H]1C ZINC000643507674 387478659 /nfs/dbraw/zinc/47/86/59/387478659.db2.gz MIRJMYADFRQVLF-MDZLAQPJSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH2+]CC[NH2+]C2CC2)[C@H]1C ZINC000643507676 387480758 /nfs/dbraw/zinc/48/07/58/387480758.db2.gz MIRJMYADFRQVLF-NTZNESFSSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC[NH2+]C2CC2)C1 ZINC000643508066 387483663 /nfs/dbraw/zinc/48/36/63/387483663.db2.gz HSZLKGZOQBTDTP-NTZNESFSSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CC[NH2+]C2CC2)C[C@@H]1C ZINC000643507451 387486824 /nfs/dbraw/zinc/48/68/24/387486824.db2.gz DVVLDBBQSBMIOM-NTZNESFSSA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCSC[C@H](C)C1 ZINC000379553238 387585663 /nfs/dbraw/zinc/58/56/63/387585663.db2.gz VUEYIAAWISJDKH-VXGBXAGGSA-N 2 1 230.421 2.045 20 0 BEADMP CC[N@@H+](C)C[C@H]1CCN(CCC(F)(F)F)C1 ZINC000355881391 387590056 /nfs/dbraw/zinc/59/00/56/387590056.db2.gz PTTWUJSNQAPNAO-SNVBAGLBSA-N 2 1 238.297 2.212 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH+](C)CC2(F)CC2)[C@@H](C)C1 ZINC000527511461 387590251 /nfs/dbraw/zinc/59/02/51/387590251.db2.gz RUJOHUIZRCQTFU-RYUDHWBXSA-N 2 1 228.355 2.151 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(F)CC2)[C@@H](C)C1 ZINC000527511461 387590252 /nfs/dbraw/zinc/59/02/52/387590252.db2.gz RUJOHUIZRCQTFU-RYUDHWBXSA-N 2 1 228.355 2.151 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(F)CC2)[C@@H](C)C1 ZINC000527511461 387590257 /nfs/dbraw/zinc/59/02/57/387590257.db2.gz RUJOHUIZRCQTFU-RYUDHWBXSA-N 2 1 228.355 2.151 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(F)CC2)[C@@H](C)C1 ZINC000527511461 387590262 /nfs/dbraw/zinc/59/02/62/387590262.db2.gz RUJOHUIZRCQTFU-RYUDHWBXSA-N 2 1 228.355 2.151 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c(C)n1 ZINC000643511834 387594038 /nfs/dbraw/zinc/59/40/38/387594038.db2.gz UOOCBNSGAMVXCO-SMDDNHRTSA-N 2 1 235.375 2.332 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)c(C)n1 ZINC000643512602 387596348 /nfs/dbraw/zinc/59/63/48/387596348.db2.gz HZWVBWBNQHTZIT-SMDDNHRTSA-N 2 1 233.359 2.086 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c(C)n1 ZINC000643512600 387596472 /nfs/dbraw/zinc/59/64/72/387596472.db2.gz HZWVBWBNQHTZIT-FZMZJTMJSA-N 2 1 233.359 2.086 20 0 BEADMP CCCc1csc(C[NH2+]C(C)(C)CC[NH3+])n1 ZINC000422555076 387599393 /nfs/dbraw/zinc/59/93/93/387599393.db2.gz OEVHVFZSLQKVTF-UHFFFAOYSA-N 2 1 241.404 2.313 20 0 BEADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(C2CC2)c1)C1CC1 ZINC000422554793 387599425 /nfs/dbraw/zinc/59/94/25/387599425.db2.gz NKKWVURHZYDAAV-OAHLLOKOSA-N 2 1 230.355 2.391 20 0 BEADMP Cc1nc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])c(C)s1 ZINC000643514783 387600119 /nfs/dbraw/zinc/60/01/19/387600119.db2.gz BUNQFXAQZTWJFR-JGVFFNPUSA-N 2 1 227.377 2.005 20 0 BEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(N)c2)C[C@H]1C[NH3+] ZINC000422641334 387609950 /nfs/dbraw/zinc/60/99/50/387609950.db2.gz XQUJCNFXBUZMJN-YRGRVCCFSA-N 2 1 247.386 2.074 20 0 BEADMP CC(C)OCCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422639444 387609964 /nfs/dbraw/zinc/60/99/64/387609964.db2.gz STWJQDBILPSPEE-RDBSUJKOSA-N 2 1 242.407 2.107 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)c(C)c1 ZINC000422700402 387615322 /nfs/dbraw/zinc/61/53/22/387615322.db2.gz GWSZRCKLZMBSCZ-CJNGLKHVSA-N 2 1 246.398 2.434 20 0 BEADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cccc(O)c1 ZINC000567271799 387629431 /nfs/dbraw/zinc/62/94/31/387629431.db2.gz VMULNZRNMHHGAR-UHFFFAOYSA-N 2 1 248.370 2.214 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)c(C)n1 ZINC000643516381 387622869 /nfs/dbraw/zinc/62/28/69/387622869.db2.gz NBSLATPGHVALAK-IINYFYTJSA-N 2 1 233.359 2.086 20 0 BEADMP c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000035054301 387553732 /nfs/dbraw/zinc/55/37/32/387553732.db2.gz JLLPCCDHJLGHDF-UHFFFAOYSA-N 2 1 230.355 2.403 20 0 BEADMP C[C@H]1C[C@H](CC[N@@H+]2CC[C@@H]([NH3+])C2)C[C@@H](C)C1 ZINC000430640451 387636090 /nfs/dbraw/zinc/63/60/90/387636090.db2.gz KFTFVBNZEUZAIF-ZOBORPQBSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@H]1C[C@H](CC[N@H+]2CC[C@@H]([NH3+])C2)C[C@@H](C)C1 ZINC000430640451 387636094 /nfs/dbraw/zinc/63/60/94/387636094.db2.gz KFTFVBNZEUZAIF-ZOBORPQBSA-N 2 1 224.392 2.482 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccnc(C)c2)C1 ZINC000527647772 387639920 /nfs/dbraw/zinc/63/99/20/387639920.db2.gz RWRGQXCTILMGBZ-OAHLLOKOSA-N 2 1 247.386 2.212 20 0 BEADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)ccn1 ZINC000527668228 387653237 /nfs/dbraw/zinc/65/32/37/387653237.db2.gz AKQPKEUOGCRVSY-HUUCEWRRSA-N 2 1 247.386 2.352 20 0 BEADMP C[C@@H]([NH2+]Cc1cccs1)c1c[nH+]ccc1N ZINC000422749720 387654826 /nfs/dbraw/zinc/65/48/26/387654826.db2.gz APDBNIUHBWVBEU-SECBINFHSA-N 2 1 233.340 2.406 20 0 BEADMP FCCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000377153637 387695460 /nfs/dbraw/zinc/69/54/60/387695460.db2.gz JZISHNCEROWBPW-CYBMUJFWSA-N 2 1 228.355 2.154 20 0 BEADMP CSCCCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422753554 387658026 /nfs/dbraw/zinc/65/80/26/387658026.db2.gz IODGNXUUFLVPBV-JTQLQIEISA-N 2 1 239.388 2.288 20 0 BEADMP C[C@@H]([NH2+]CCOC1CCCC1)c1c[nH+]ccc1N ZINC000422771533 387670922 /nfs/dbraw/zinc/67/09/22/387670922.db2.gz VVNCAZUYZKARRT-LLVKDONJSA-N 2 1 249.358 2.104 20 0 BEADMP CC(C)[C@@H](C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422773510 387671277 /nfs/dbraw/zinc/67/12/77/387671277.db2.gz UFYCKZKMFIFJAJ-WDEREUQCSA-N 2 1 221.348 2.437 20 0 BEADMP Cc1cc(C)cc(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000422794150 387696312 /nfs/dbraw/zinc/69/63/12/387696312.db2.gz YRAFCZSDEPLYIC-GDBMZVCRSA-N 2 1 246.398 2.434 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCOc1ccccc1 ZINC000422792637 387696478 /nfs/dbraw/zinc/69/64/78/387696478.db2.gz RELSGANBDXBKGA-UKRRQHHQSA-N 2 1 248.370 2.043 20 0 BEADMP CCc1ccccc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422786382 387687827 /nfs/dbraw/zinc/68/78/27/387687827.db2.gz QIISXFFQIMKBPG-KGLIPLIRSA-N 2 1 218.344 2.218 20 0 BEADMP CCC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccccc1 ZINC000643525945 387756356 /nfs/dbraw/zinc/75/63/56/387756356.db2.gz JOOJPSAUSCEKTA-DGCLKSJQSA-N 2 1 206.333 2.465 20 0 BEADMP COc1cc(C)ccc1C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000422872727 387753617 /nfs/dbraw/zinc/75/36/17/387753617.db2.gz IKOWHEBHMJXTGU-QWHCGFSZSA-N 2 1 248.370 2.091 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000422792638 387697173 /nfs/dbraw/zinc/69/71/73/387697173.db2.gz RELSGANBDXBKGA-ZFWWWQNUSA-N 2 1 248.370 2.043 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1CCCC1 ZINC000422800328 387699099 /nfs/dbraw/zinc/69/90/99/387699099.db2.gz BGJBJGGAVZXAPC-YPMHNXCESA-N 2 1 210.365 2.154 20 0 BEADMP Cc1ccc2[nH]c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])nc2c1 ZINC000422801790 387701145 /nfs/dbraw/zinc/70/11/45/387701145.db2.gz AOCWFZIVNRZFMS-MNOVXSKESA-N 2 1 246.358 2.087 20 0 BEADMP Cc1ccc2nc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])[nH]c2c1 ZINC000422801790 387701151 /nfs/dbraw/zinc/70/11/51/387701151.db2.gz AOCWFZIVNRZFMS-MNOVXSKESA-N 2 1 246.358 2.087 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000422809984 387708052 /nfs/dbraw/zinc/70/80/52/387708052.db2.gz MXLDHRPNOQDGIK-UKRRQHHQSA-N 2 1 244.382 2.306 20 0 BEADMP CO[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)C(C)(C)C ZINC000422813735 387711004 /nfs/dbraw/zinc/71/10/04/387711004.db2.gz SHSKBMYANXIAOY-AVGNSLFASA-N 2 1 242.407 2.168 20 0 BEADMP C[C@]12C[N@@H+](CCn3ccnc3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000452042311 387711364 /nfs/dbraw/zinc/71/13/64/387711364.db2.gz FGIWVSBQFIZJAH-CBBWQLFWSA-N 2 1 245.370 2.251 20 0 BEADMP CO[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)C(C)(C)C ZINC000422813741 387712426 /nfs/dbraw/zinc/71/24/26/387712426.db2.gz SHSKBMYANXIAOY-YNEHKIRRSA-N 2 1 242.407 2.168 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1COC ZINC000452047184 387713228 /nfs/dbraw/zinc/71/32/28/387713228.db2.gz ZKRHDIFZKVWJSE-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@H]1COC ZINC000452047183 387713762 /nfs/dbraw/zinc/71/37/62/387713762.db2.gz ZKRHDIFZKVWJSE-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP CCc1cccnc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522610 387720023 /nfs/dbraw/zinc/72/00/23/387720023.db2.gz QCPNMPNSAQDZMT-TZMCWYRMSA-N 2 1 247.386 2.437 20 0 BEADMP C[C@H](F)CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000452092426 387732905 /nfs/dbraw/zinc/73/29/05/387732905.db2.gz DIZGYRPXYKYNIL-NSHDSACASA-N 2 1 216.344 2.199 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CC12CC2 ZINC000527864746 387737699 /nfs/dbraw/zinc/73/76/99/387737699.db2.gz KLOGLHBIYSUOHG-RVMXOQNASA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CC12CC2 ZINC000527864746 387737705 /nfs/dbraw/zinc/73/77/05/387737705.db2.gz KLOGLHBIYSUOHG-RVMXOQNASA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CC12CC2 ZINC000527862165 387738182 /nfs/dbraw/zinc/73/81/82/387738182.db2.gz NKFANLPBBKSVMO-RWMBFGLXSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CC12CC2 ZINC000527862162 387738625 /nfs/dbraw/zinc/73/86/25/387738625.db2.gz NKFANLPBBKSVMO-AVGNSLFASA-N 2 1 222.376 2.106 20 0 BEADMP CCC1(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CCC1 ZINC000422854312 387739070 /nfs/dbraw/zinc/73/90/70/387739070.db2.gz UCKZHHSWJSXYPP-NEPJUHHUSA-N 2 1 210.365 2.154 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000356877081 387739216 /nfs/dbraw/zinc/73/92/16/387739216.db2.gz RVNCSHIRFXTCBH-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP CCc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643525991 387756176 /nfs/dbraw/zinc/75/61/76/387756176.db2.gz LRCRJBDTVFXYFK-WDEREUQCSA-N 2 1 206.333 2.247 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000643527596 387764977 /nfs/dbraw/zinc/76/49/77/387764977.db2.gz OZLGTBNTKIEOCR-OUJBWJOFSA-N 2 1 204.317 2.172 20 0 BEADMP C[N@H+]1CC[C@@]2(CC[NH+](CC3=CCCC3)C2)C1 ZINC000645922183 387767194 /nfs/dbraw/zinc/76/71/94/387767194.db2.gz HKIGDKAWUUUWOG-CQSZACIVSA-N 2 1 220.360 2.124 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@H+](CC3=CCCC3)C2)C1 ZINC000645922183 387767199 /nfs/dbraw/zinc/76/71/99/387767199.db2.gz HKIGDKAWUUUWOG-CQSZACIVSA-N 2 1 220.360 2.124 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC3=CCCC3)C2)C1 ZINC000645922183 387767205 /nfs/dbraw/zinc/76/72/05/387767205.db2.gz HKIGDKAWUUUWOG-CQSZACIVSA-N 2 1 220.360 2.124 20 0 BEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CC12CC2 ZINC000527877280 387767712 /nfs/dbraw/zinc/76/77/12/387767712.db2.gz UAZNILIGSXCKSY-DGCLKSJQSA-N 2 1 220.360 2.027 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000643528666 387769664 /nfs/dbraw/zinc/76/96/64/387769664.db2.gz MSIOADGWSNCKHX-PRHODGIISA-N 2 1 224.735 2.264 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCc2ccccc21 ZINC000422911245 387770022 /nfs/dbraw/zinc/77/00/22/387770022.db2.gz SJDKPRFDJWGWKZ-XPKDYRNWSA-N 2 1 244.382 2.304 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@H]1CCCc2sccc21 ZINC000643529098 387774051 /nfs/dbraw/zinc/77/40/51/387774051.db2.gz VETNZUKNYQFSSN-SCZZXKLOSA-N 2 1 210.346 2.062 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000643528121 387774885 /nfs/dbraw/zinc/77/48/85/387774885.db2.gz ZURQWIBPBRONHM-RNCFNFMXSA-N 2 1 222.307 2.140 20 0 BEADMP CCC[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(OC)cc1 ZINC000643529289 387776934 /nfs/dbraw/zinc/77/69/34/387776934.db2.gz YCIVXQBEVLQPLD-RISCZKNCSA-N 2 1 236.359 2.473 20 0 BEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CC(C)C1 ZINC000422922236 387777481 /nfs/dbraw/zinc/77/74/81/387777481.db2.gz SGSSBYONSPPCBD-UWNPBFMXSA-N 2 1 232.371 2.333 20 0 BEADMP CCC[C@H]([NH2+]C[C@H](C)[NH3+])c1ccc(OC)cc1 ZINC000643529288 387777805 /nfs/dbraw/zinc/77/78/05/387777805.db2.gz YCIVXQBEVLQPLD-FZMZJTMJSA-N 2 1 236.359 2.473 20 0 BEADMP COc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])c(C)c1 ZINC000643529686 387777939 /nfs/dbraw/zinc/77/79/39/387777939.db2.gz NCJKJDRTWCYZKQ-QWRGUYRKSA-N 2 1 222.332 2.001 20 0 BEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nc(C2CC2)cs1 ZINC000422925278 387779113 /nfs/dbraw/zinc/77/91/13/387779113.db2.gz ATYOXTCTMMBGSH-IUCAKERBSA-N 2 1 239.388 2.236 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000422980292 387791648 /nfs/dbraw/zinc/79/16/48/387791648.db2.gz LJBARCUUJVEAGC-ZFWWWQNUSA-N 2 1 232.371 2.125 20 0 BEADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)Oc1ccccc1 ZINC000422980137 387791884 /nfs/dbraw/zinc/79/18/84/387791884.db2.gz KZIDMKTVSVYNAZ-NFAWXSAZSA-N 2 1 248.370 2.184 20 0 BEADMP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)OCC ZINC000527934707 387796527 /nfs/dbraw/zinc/79/65/27/387796527.db2.gz SZSVQYPRCSWBCR-MGPQQGTHSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000422994603 387802723 /nfs/dbraw/zinc/80/27/23/387802723.db2.gz VWEOONVUFKEQAU-MXWKQRLJSA-N 2 1 232.318 2.294 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000422994605 387803469 /nfs/dbraw/zinc/80/34/69/387803469.db2.gz VWEOONVUFKEQAU-VWYCJHECSA-N 2 1 232.318 2.294 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CC1(C)C)c1c[nH+]ccc1N ZINC000422953608 387809155 /nfs/dbraw/zinc/80/91/55/387809155.db2.gz FWHHBZGGXCIDMN-VHSXEESVSA-N 2 1 219.332 2.191 20 0 BEADMP CSC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000193826641 387809875 /nfs/dbraw/zinc/80/98/75/387809875.db2.gz PIQKAGGOXVZLQP-GRYCIOLGSA-N 2 1 242.432 2.200 20 0 BEADMP CC[C@H]([NH2+]C[C@H](C)[NH3+])c1cccc(F)c1 ZINC000643526590 387758167 /nfs/dbraw/zinc/75/81/67/387758167.db2.gz BSYZADJGBYUECZ-CABZTGNLSA-N 2 1 210.296 2.214 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000643527042 387760053 /nfs/dbraw/zinc/76/00/53/387760053.db2.gz CFBIPNJURWATFP-ZWNOBZJWSA-N 2 1 204.317 2.075 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432796993 387821672 /nfs/dbraw/zinc/82/16/72/387821672.db2.gz JMJIMIQSQHVICG-FRRDWIJNSA-N 2 1 210.365 2.059 20 0 BEADMP Cc1ccsc1CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423012676 387836080 /nfs/dbraw/zinc/83/60/80/387836080.db2.gz DMLHVQBHBGFRHW-JQWIXIFHSA-N 2 1 238.400 2.187 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000322057549 387873584 /nfs/dbraw/zinc/87/35/84/387873584.db2.gz QMAQMUYWPCSQNY-WUHRBBMRSA-N 2 1 212.381 2.351 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000322057549 387873587 /nfs/dbraw/zinc/87/35/87/387873587.db2.gz QMAQMUYWPCSQNY-WUHRBBMRSA-N 2 1 212.381 2.351 20 0 BEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC1(C)C ZINC000423028415 387847218 /nfs/dbraw/zinc/84/72/18/387847218.db2.gz QNULUENBKBLQMY-IACUBPJLSA-N 2 1 232.371 2.333 20 0 BEADMP CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423042237 387855311 /nfs/dbraw/zinc/85/53/11/387855311.db2.gz YTGLDEJHWUOTKF-KXUCPTDWSA-N 2 1 238.297 2.448 20 0 BEADMP C[C@H]([NH2+]C1(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423049682 387858636 /nfs/dbraw/zinc/85/86/36/387858636.db2.gz KFIMTNOUTZJWND-ZFWWWQNUSA-N 2 1 244.382 2.492 20 0 BEADMP CC[C@H]([NH2+]C[C@@H](C)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423051443 387860375 /nfs/dbraw/zinc/86/03/75/387860375.db2.gz NHEULHTXNSHEBC-UTLUCORTSA-N 2 1 238.297 2.305 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C1CC1 ZINC000036908634 387861317 /nfs/dbraw/zinc/86/13/17/387861317.db2.gz WUSBWJKUCHKNBM-MPPDQPJWSA-N 2 1 210.365 2.103 20 0 BEADMP CC(C)C(C)(C)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423056449 387863660 /nfs/dbraw/zinc/86/36/60/387863660.db2.gz FTJRTFJFYUMYMQ-RYUDHWBXSA-N 2 1 212.381 2.256 20 0 BEADMP COc1ccc(F)cc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423066128 387869153 /nfs/dbraw/zinc/86/91/53/387869153.db2.gz WBGKIRIBMKDFLY-UWVGGRQHSA-N 2 1 240.322 2.050 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)c1ccco1)[C@H]1CCC[NH2+]C1 ZINC000422964223 387814091 /nfs/dbraw/zinc/81/40/91/387814091.db2.gz KUHMDJOFSDODGN-WOPDTQHZSA-N 2 1 222.332 2.318 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000442662739 387816368 /nfs/dbraw/zinc/81/63/68/387816368.db2.gz IEIHQQZPXRPMPT-JSGCOSHPSA-N 2 1 218.344 2.041 20 0 BEADMP Fc1ccccc1[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000423103674 387889708 /nfs/dbraw/zinc/88/97/08/387889708.db2.gz XUEIFNVDWYYDGV-AGIUHOORSA-N 2 1 248.345 2.413 20 0 BEADMP Fc1ccccc1[C@@H]1CC[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000423103677 387889773 /nfs/dbraw/zinc/88/97/73/387889773.db2.gz XUEIFNVDWYYDGV-UPJWGTAASA-N 2 1 248.345 2.413 20 0 BEADMP C[C@@H]([NH2+]CCC1(F)CCC1)c1c[nH+]ccc1N ZINC000423115174 387896518 /nfs/dbraw/zinc/89/65/18/387896518.db2.gz XMIQJZQUKIZPPE-SNVBAGLBSA-N 2 1 237.322 2.427 20 0 BEADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1ccncc1 ZINC000643460409 387875485 /nfs/dbraw/zinc/87/54/85/387875485.db2.gz ZYXDZLHLFCCFAZ-VNHYZAJKSA-N 2 1 247.386 2.305 20 0 BEADMP CSC1(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CC1 ZINC000423091492 387883872 /nfs/dbraw/zinc/88/38/72/387883872.db2.gz XGBNZGLJIADOPC-VIFPVBQESA-N 2 1 237.372 2.040 20 0 BEADMP CC[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423155340 387933933 /nfs/dbraw/zinc/93/39/33/387933933.db2.gz IZIHXKAUWIWWMW-SYQHCUMBSA-N 2 1 224.392 2.400 20 0 BEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C1CC1 ZINC000423157978 387936768 /nfs/dbraw/zinc/93/67/68/387936768.db2.gz NICNIYODDGTYPX-TYNCELHUSA-N 2 1 232.371 2.333 20 0 BEADMP C[C@@H]([NH2+]CCC(C)(F)F)c1c[nH+]ccc1N ZINC000423143665 387920988 /nfs/dbraw/zinc/92/09/88/387920988.db2.gz DPWPUNRCYYDZQP-MRVPVSSYSA-N 2 1 229.274 2.190 20 0 BEADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000423145445 387922970 /nfs/dbraw/zinc/92/29/70/387922970.db2.gz KROIIFBEYNSCBR-NNYUYHANSA-N 2 1 214.328 2.127 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000423157243 387937507 /nfs/dbraw/zinc/93/75/07/387937507.db2.gz VBMJNCFXNOQIPI-OUAUKWLOSA-N 2 1 232.318 2.009 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424199188 387926170 /nfs/dbraw/zinc/92/61/70/387926170.db2.gz QBEUYIGEDFUMPD-UONOGXRCSA-N 2 1 245.370 2.426 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC(C)(F)F ZINC000423150804 387927454 /nfs/dbraw/zinc/92/74/54/387927454.db2.gz ZFWJNPWJKNPYEQ-UWVGGRQHSA-N 2 1 220.307 2.009 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)CC[N@H+]1C ZINC000424287755 387951831 /nfs/dbraw/zinc/95/18/31/387951831.db2.gz HWUZDLKXFKCEFO-UNQGMJICSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)CC[N@H+]1C ZINC000424287753 387951927 /nfs/dbraw/zinc/95/19/27/387951927.db2.gz HWUZDLKXFKCEFO-MHEUCROKSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424288179 387952315 /nfs/dbraw/zinc/95/23/15/387952315.db2.gz IGLOJIYQASLAGX-UNQGMJICSA-N 2 1 236.403 2.352 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1C[C@H]1C ZINC000321159187 387955227 /nfs/dbraw/zinc/95/52/27/387955227.db2.gz XBTPULVAWUTXJN-HTOAHKCRSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1(C)CC1 ZINC000044533954 387938188 /nfs/dbraw/zinc/93/81/88/387938188.db2.gz HQTBDDFTVQZHTD-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000321089842 387945311 /nfs/dbraw/zinc/94/53/11/387945311.db2.gz NGRCTPBNKSXJRZ-JHJVBQTASA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000321089842 387945315 /nfs/dbraw/zinc/94/53/15/387945315.db2.gz NGRCTPBNKSXJRZ-JHJVBQTASA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@H]1C ZINC000245439485 387945647 /nfs/dbraw/zinc/94/56/47/387945647.db2.gz FVXDOWTUIMMQKR-CHWSQXEVSA-N 2 1 210.365 2.345 20 0 BEADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)[C@H]1C[C@@H]1C ZINC000321084453 387946059 /nfs/dbraw/zinc/94/60/59/387946059.db2.gz MIPPHJJVLUACGH-UBHSHLNASA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1C[C@H]1C ZINC000321098384 387946934 /nfs/dbraw/zinc/94/69/34/387946934.db2.gz ONXSTUJIIKINSD-UHXUPSOCSA-N 2 1 222.376 2.105 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1C[C@H]1C ZINC000321098383 387948274 /nfs/dbraw/zinc/94/82/74/387948274.db2.gz ONXSTUJIIKINSD-NMKXLXIOSA-N 2 1 222.376 2.105 20 0 BEADMP C[C@H](CC(C)(C)C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423166161 387950393 /nfs/dbraw/zinc/95/03/93/387950393.db2.gz QSHZZWLEYUCRRX-TUAOUCFPSA-N 2 1 212.381 2.399 20 0 BEADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CCS1 ZINC000245692288 387972005 /nfs/dbraw/zinc/97/20/05/387972005.db2.gz WGUJUCNFUCPKTN-CHWSQXEVSA-N 2 1 242.432 2.298 20 0 BEADMP CC[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CCS1 ZINC000245692288 387972009 /nfs/dbraw/zinc/97/20/09/387972009.db2.gz WGUJUCNFUCPKTN-CHWSQXEVSA-N 2 1 242.432 2.298 20 0 BEADMP CC[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CCS1 ZINC000245692288 387972015 /nfs/dbraw/zinc/97/20/15/387972015.db2.gz WGUJUCNFUCPKTN-CHWSQXEVSA-N 2 1 242.432 2.298 20 0 BEADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423180561 387965551 /nfs/dbraw/zinc/96/55/51/387965551.db2.gz FFIKPTSZOWRXDZ-UTUOFQBUSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1N(C)C ZINC000423183059 387967704 /nfs/dbraw/zinc/96/77/04/387967704.db2.gz KYTUMIQEGQZKHI-GFCCVEGCSA-N 2 1 247.386 2.155 20 0 BEADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1N(C)C ZINC000423183061 387967752 /nfs/dbraw/zinc/96/77/52/387967752.db2.gz KYTUMIQEGQZKHI-LBPRGKRZSA-N 2 1 247.386 2.155 20 0 BEADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cccnc1 ZINC000423181375 387968347 /nfs/dbraw/zinc/96/83/47/387968347.db2.gz PCEZZVSIZYVWFW-LBPRGKRZSA-N 2 1 233.359 2.394 20 0 BEADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cccnc1 ZINC000423181374 387968383 /nfs/dbraw/zinc/96/83/83/387968383.db2.gz PCEZZVSIZYVWFW-GFCCVEGCSA-N 2 1 233.359 2.394 20 0 BEADMP CC(C)CC[C@H]([NH2+]CC[NH3+])C(C)(C)C ZINC000423182365 387968433 /nfs/dbraw/zinc/96/84/33/387968433.db2.gz KFABVUPUIAZLFU-NSHDSACASA-N 2 1 200.370 2.386 20 0 BEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424323262 387972291 /nfs/dbraw/zinc/97/22/91/387972291.db2.gz IWWDOTPNRVVLFK-DOERSZECSA-N 2 1 222.376 2.105 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424323262 387972296 /nfs/dbraw/zinc/97/22/96/387972296.db2.gz IWWDOTPNRVVLFK-DOERSZECSA-N 2 1 222.376 2.105 20 0 BEADMP CCC[C@H]([NH2+]CC[NH3+])c1ccc(OC)cc1 ZINC000423196101 387981773 /nfs/dbraw/zinc/98/17/73/387981773.db2.gz YVSFOMPFMROUOZ-ZDUSSCGKSA-N 2 1 222.332 2.085 20 0 BEADMP C1CC1[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000423189065 387973361 /nfs/dbraw/zinc/97/33/61/387973361.db2.gz OTSFXEFDGQFNOD-KGLIPLIRSA-N 2 1 222.376 2.297 20 0 BEADMP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@@H]1CC1(C)C ZINC000423188640 387974424 /nfs/dbraw/zinc/97/44/24/387974424.db2.gz LXZMPCRTSQRISR-SRVKXCTJSA-N 2 1 210.365 2.153 20 0 BEADMP Fc1cncc([C@H]([NH2+]C2CC[NH2+]CC2)C2CC2)c1 ZINC000423190169 387976580 /nfs/dbraw/zinc/97/65/80/387976580.db2.gz SBHLEDYCWUPWQE-CQSZACIVSA-N 2 1 249.333 2.013 20 0 BEADMP CC(C)=CCC[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423192141 387977534 /nfs/dbraw/zinc/97/75/34/387977534.db2.gz PNYDHRXVCVLODA-OLZOCXBDSA-N 2 1 210.365 2.463 20 0 BEADMP C[NH2+]CCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000423202233 387988401 /nfs/dbraw/zinc/98/84/01/387988401.db2.gz QJOFOPKKMHANNA-SECBINFHSA-N 2 1 228.286 2.225 20 0 BEADMP c1cncc([C@@H]2CCC[C@H]([NH2+][C@@H]3CC[NH2+]C3)C2)c1 ZINC000423210322 387995594 /nfs/dbraw/zinc/99/55/94/387995594.db2.gz HJGMFRGDQRSOLZ-VHDGCEQUSA-N 2 1 245.370 2.059 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)[C@@H](C)C1 ZINC000424349609 387985709 /nfs/dbraw/zinc/98/57/09/387985709.db2.gz MDGUAVMUJOPKOE-HPCHECBXSA-N 2 1 222.376 2.105 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(O)c1 ZINC000424371363 387997753 /nfs/dbraw/zinc/99/77/53/387997753.db2.gz FXUFIQYXNOJIKK-LERXQTSPSA-N 2 1 234.343 2.313 20 0 BEADMP Cc1ccc(CC[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000420408090 387999070 /nfs/dbraw/zinc/99/90/70/387999070.db2.gz OWXZEAQXPHNQEF-GOEBONIOSA-N 2 1 246.398 2.454 20 0 BEADMP CCc1cc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc[nH+]1 ZINC000450373554 388000955 /nfs/dbraw/zinc/00/09/55/388000955.db2.gz CSHDLHDSVVURMK-SMDDNHRTSA-N 2 1 245.370 2.103 20 0 BEADMP C[NH2+]CC[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000423222483 388004144 /nfs/dbraw/zinc/00/41/44/388004144.db2.gz BGODMHYNRYOMIM-NWDGAFQWSA-N 2 1 212.381 2.400 20 0 BEADMP C[NH2+]CC[NH2+]C(CC(C)C)CC(C)C ZINC000423223698 388006015 /nfs/dbraw/zinc/00/60/15/388006015.db2.gz HEXRAXVXNMWMHF-UHFFFAOYSA-N 2 1 200.370 2.256 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)CC(F)(F)F)CC1 ZINC000159322636 388007533 /nfs/dbraw/zinc/00/75/33/388007533.db2.gz VDUTZUKRCQRHSN-VIFPVBQESA-N 2 1 238.297 2.401 20 0 BEADMP C[C@H](c1ccccn1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246098720 388008702 /nfs/dbraw/zinc/00/87/02/388008702.db2.gz ARZZKJPCPVJVLW-KGLIPLIRSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@H](c1ccccn1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246098720 388008705 /nfs/dbraw/zinc/00/87/05/388008705.db2.gz ARZZKJPCPVJVLW-KGLIPLIRSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@H](c1ccccn1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246098720 388008707 /nfs/dbraw/zinc/00/87/07/388008707.db2.gz ARZZKJPCPVJVLW-KGLIPLIRSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@H](c1ccccn1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246098720 388008710 /nfs/dbraw/zinc/00/87/10/388008710.db2.gz ARZZKJPCPVJVLW-KGLIPLIRSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cncs1 ZINC000423216168 387996817 /nfs/dbraw/zinc/99/68/17/387996817.db2.gz NZVOJBSXWIWFAA-GARJFASQSA-N 2 1 239.388 2.182 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CC[C@H](CCC(C)C)C1 ZINC000423240998 388024571 /nfs/dbraw/zinc/02/45/71/388024571.db2.gz HPARBXCEGDGTJI-QWHCGFSZSA-N 2 1 212.381 2.400 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCC(F)(F)F)CC[N@H+]1C ZINC000156617287 388011625 /nfs/dbraw/zinc/01/16/25/388011625.db2.gz WIHKDPFESIUBLM-BDAKNGLRSA-N 2 1 224.270 2.011 20 0 BEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2CC2)C1 ZINC000156630405 388012350 /nfs/dbraw/zinc/01/23/50/388012350.db2.gz WDLWPLOVQWTOFC-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000156630405 388012351 /nfs/dbraw/zinc/01/23/51/388012351.db2.gz WDLWPLOVQWTOFC-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCC(C)(F)F)[C@H]2CCC[C@H]21 ZINC000453219424 388013453 /nfs/dbraw/zinc/01/34/53/388013453.db2.gz LNNBNTAGJSCUEB-GRYCIOLGSA-N 2 1 246.345 2.494 20 0 BEADMP CC1(C)CCC[C@H]([NH2+][C@H](C[NH3+])C2CC2)C1 ZINC000423269867 388017106 /nfs/dbraw/zinc/01/71/06/388017106.db2.gz FZYNJONQJSSDCI-NWDGAFQWSA-N 2 1 210.365 2.282 20 0 BEADMP CC[NH2+]CC[NH2+]C1CCc2ccccc2CC1 ZINC000423237879 388023035 /nfs/dbraw/zinc/02/30/35/388023035.db2.gz QHHCTRNDORZFMR-UHFFFAOYSA-N 2 1 232.371 2.133 20 0 BEADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccccc1 ZINC000082390053 388033441 /nfs/dbraw/zinc/03/34/41/388033441.db2.gz BWRKSBCTUZLIJJ-ZDUSSCGKSA-N 2 1 206.333 2.150 20 0 BEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)C1CC1 ZINC000423262733 388039834 /nfs/dbraw/zinc/03/98/34/388039834.db2.gz NGQIFBXODFEVKX-GXFFZTMASA-N 2 1 210.365 2.282 20 0 BEADMP Cc1ccncc1[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423262451 388040672 /nfs/dbraw/zinc/04/06/72/388040672.db2.gz MQROJCIQWQSGTP-OLZOCXBDSA-N 2 1 235.375 2.414 20 0 BEADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)C1CC1 ZINC000423262735 388040755 /nfs/dbraw/zinc/04/07/55/388040755.db2.gz NGQIFBXODFEVKX-ZWNOBZJWSA-N 2 1 210.365 2.282 20 0 BEADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423262186 388041126 /nfs/dbraw/zinc/04/11/26/388041126.db2.gz LYEAELALORBXBM-JSGCOSHPSA-N 3 1 241.423 2.001 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cccs1 ZINC000423264271 388041675 /nfs/dbraw/zinc/04/16/75/388041675.db2.gz PSELINBPAPZJCZ-VHSXEESVSA-N 2 1 212.362 2.382 20 0 BEADMP CSCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159982666 388041945 /nfs/dbraw/zinc/04/19/45/388041945.db2.gz BVZGTHZHIBGPLJ-CHWSQXEVSA-N 2 1 242.432 2.346 20 0 BEADMP [NH3+]C[C@@H]([NH2+]C1CCC(C(F)F)CC1)C1CC1 ZINC000423265065 388044115 /nfs/dbraw/zinc/04/41/15/388044115.db2.gz AQBNRPQJZUVVMF-VQXHTEKXSA-N 2 1 232.318 2.137 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H](C)C1C(C)(C)C1(C)C ZINC000423242942 388026679 /nfs/dbraw/zinc/02/66/79/388026679.db2.gz JRTMJTDOBOJRAF-JTQLQIEISA-N 2 1 212.381 2.256 20 0 BEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)C1(C)C ZINC000423272537 388051867 /nfs/dbraw/zinc/05/18/67/388051867.db2.gz ZCBFMOGAXVNSIO-JHJVBQTASA-N 2 1 242.407 2.153 20 0 BEADMP CCC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1cccnc1 ZINC000423274531 388055727 /nfs/dbraw/zinc/05/57/27/388055727.db2.gz MEYXVSIZONJWOK-KGLIPLIRSA-N 2 1 235.375 2.496 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCCOc2ccccc21 ZINC000423276337 388056269 /nfs/dbraw/zinc/05/62/69/388056269.db2.gz OJZQHSHNNMXXNA-KBPBESRZSA-N 2 1 248.370 2.473 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])C2CC2)[C@@H](C)C1 ZINC000423275593 388056935 /nfs/dbraw/zinc/05/69/35/388056935.db2.gz LWAOTBHKSRHNPY-RSLMWUCJSA-N 2 1 210.365 2.138 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000423276340 388057171 /nfs/dbraw/zinc/05/71/71/388057171.db2.gz OJZQHSHNNMXXNA-ZIAGYGMSSA-N 2 1 248.370 2.473 20 0 BEADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423277168 388058609 /nfs/dbraw/zinc/05/86/09/388058609.db2.gz NTRSXWLDHHKXSZ-USWWRNFRSA-N 2 1 210.365 2.138 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(C)o1 ZINC000423276968 388059177 /nfs/dbraw/zinc/05/91/77/388059177.db2.gz PBUGZUSGHFOECJ-GXSJLCMTSA-N 2 1 210.321 2.094 20 0 BEADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)C1CCCCC1 ZINC000423283400 388064960 /nfs/dbraw/zinc/06/49/60/388064960.db2.gz VZNVDMMYZZMGCS-MFKMUULPSA-N 2 1 210.365 2.282 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000423285687 388068480 /nfs/dbraw/zinc/06/84/80/388068480.db2.gz ZTOUTALUQAJZGA-ZJUUUORDSA-N 2 1 242.313 2.471 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](c1cccnc1)C(C)C ZINC000423285371 388068542 /nfs/dbraw/zinc/06/85/42/388068542.db2.gz ZFBDFIKDNLZODV-KGLIPLIRSA-N 2 1 235.375 2.352 20 0 BEADMP CC(C)[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453398179 388072566 /nfs/dbraw/zinc/07/25/66/388072566.db2.gz KHXIKXVRSQEMIZ-GFCCVEGCSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H]([NH2+]CC(C)(C)[NH3+])c1cccc(OC)c1 ZINC000423288399 388072728 /nfs/dbraw/zinc/07/27/28/388072728.db2.gz RYZFXNPPEJTZMN-ZDUSSCGKSA-N 2 1 236.359 2.473 20 0 BEADMP CC(C)([NH3+])C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000423287997 388072974 /nfs/dbraw/zinc/07/29/74/388072974.db2.gz PVRANINGYYJEOP-CYBMUJFWSA-N 2 1 233.359 2.250 20 0 BEADMP COc1cccc2c1CC[C@@H]2[NH2+]CC(C)(C)[NH3+] ZINC000423288469 388073411 /nfs/dbraw/zinc/07/34/11/388073411.db2.gz SGKYPKWEAPLMCQ-LBPRGKRZSA-N 2 1 234.343 2.009 20 0 BEADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCSC1)C1CC1 ZINC000453411697 388077182 /nfs/dbraw/zinc/07/71/82/388077182.db2.gz VZDLYQCCRAZZQH-GFCCVEGCSA-N 2 1 242.432 2.346 20 0 BEADMP CSC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000336658278 388077432 /nfs/dbraw/zinc/07/74/32/388077432.db2.gz BHMPUCLPWKORBM-WUHRBBMRSA-N 2 1 242.432 2.200 20 0 BEADMP [NH3+]C[C@@H]1CC[N@H+](Cc2sccc2Cl)C1 ZINC000261527777 135152399 /nfs/dbraw/zinc/15/23/99/135152399.db2.gz HBNIGZUHLDZMCV-QMMMGPOBSA-N 2 1 230.764 2.182 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2sccc2Cl)C1 ZINC000261527777 135152401 /nfs/dbraw/zinc/15/24/01/135152401.db2.gz HBNIGZUHLDZMCV-QMMMGPOBSA-N 2 1 230.764 2.182 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CCC2CC(F)(F)C2)CC[N@H+]1C ZINC000453426111 388081380 /nfs/dbraw/zinc/08/13/80/388081380.db2.gz ONXPCSTXDPIJTF-JQWIXIFHSA-N 2 1 246.345 2.494 20 0 BEADMP CC[C@@H](C)C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453593524 388088867 /nfs/dbraw/zinc/08/88/67/388088867.db2.gz GOFSCFBGQVAJAX-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@H]1CSC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453593595 388089006 /nfs/dbraw/zinc/08/90/06/388089006.db2.gz GWQAGDSOTHXION-DGCLKSJQSA-N 2 1 242.432 2.202 20 0 BEADMP C[N@@H+](CCCC[NH2+]C[C@@H]1CCSC1)C1CC1 ZINC000453604210 388091020 /nfs/dbraw/zinc/09/10/20/388091020.db2.gz YCVJCGFCTWBYAN-LBPRGKRZSA-N 2 1 242.432 2.204 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000261528050 135152505 /nfs/dbraw/zinc/15/25/05/135152505.db2.gz JCVPLOSJQCMHMO-IUCAKERBSA-N 2 1 212.724 2.165 20 0 BEADMP Cc1cc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cs1 ZINC000423267642 388045189 /nfs/dbraw/zinc/04/51/89/388045189.db2.gz CZMSXOCEUCFUKJ-CABZTGNLSA-N 2 1 224.373 2.444 20 0 BEADMP COCCC[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423267846 388045504 /nfs/dbraw/zinc/04/55/04/388045504.db2.gz UBFBJIAALPKEFM-TZMCWYRMSA-N 2 1 242.407 2.299 20 0 BEADMP COc1cccc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c1 ZINC000423269285 388047411 /nfs/dbraw/zinc/04/74/11/388047411.db2.gz VWWJWDQUGODBCT-RISCZKNCSA-N 2 1 236.359 2.329 20 0 BEADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000423270200 388049279 /nfs/dbraw/zinc/04/92/79/388049279.db2.gz GHEBNJUBZUOUFD-KBPBESRZSA-N 2 1 218.344 2.465 20 0 BEADMP C([NH2+][C@H](C1CC1)C1CCC1)[C@@H]1CCCC[NH2+]1 ZINC000324846565 388124647 /nfs/dbraw/zinc/12/46/47/388124647.db2.gz XTJSYLWPOWOGJT-KBPBESRZSA-N 2 1 222.376 2.297 20 0 BEADMP C([NH2+][C@@H](C1CC1)C1CCC1)[C@@H]1CCCC[NH2+]1 ZINC000324846568 388124993 /nfs/dbraw/zinc/12/49/93/388124993.db2.gz XTJSYLWPOWOGJT-UONOGXRCSA-N 2 1 222.376 2.297 20 0 BEADMP CCSCCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000164021958 388132400 /nfs/dbraw/zinc/13/24/00/388132400.db2.gz CIMDOSMHFSGGJD-RYUDHWBXSA-N 2 1 230.421 2.059 20 0 BEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)CC(C)(C)C ZINC000449076456 388139671 /nfs/dbraw/zinc/13/96/71/388139671.db2.gz HMVQNIOBLRQHTP-CYBMUJFWSA-N 2 1 244.423 2.369 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CSC[C@@H]2C)C1 ZINC000449095307 388141364 /nfs/dbraw/zinc/14/13/64/388141364.db2.gz XQSKYQIGFNPCGJ-XQQFMLRXSA-N 2 1 242.432 2.059 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C2CC2)[C@@H](C)C1 ZINC000449445645 388207917 /nfs/dbraw/zinc/20/79/17/388207917.db2.gz KAAVRKKGRUQBIK-GMXVVIOVSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(C)CCC1 ZINC000090220111 256558191 /nfs/dbraw/zinc/55/81/91/256558191.db2.gz PBUWGGJZFXEGCN-JHJVBQTASA-N 2 1 224.392 2.495 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000164666219 388242436 /nfs/dbraw/zinc/24/24/36/388242436.db2.gz ISLWBCJGLUPLAK-WCQYABFASA-N 2 1 212.381 2.339 20 0 BEADMP C[C@@H](C[NH2+]Cc1ccccc1N(C)C)C[NH+](C)C ZINC000491549717 388303425 /nfs/dbraw/zinc/30/34/25/388303425.db2.gz WGTNZXHASDHXCE-ZDUSSCGKSA-N 2 1 249.402 2.040 20 0 BEADMP Cc1[nH+]ccn1CCC[NH+]1CCC(CF)CC1 ZINC000451398698 388269803 /nfs/dbraw/zinc/26/98/03/388269803.db2.gz XGBKSAUOXRVIHQ-UHFFFAOYSA-N 2 1 239.338 2.263 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000414927222 256629330 /nfs/dbraw/zinc/62/93/30/256629330.db2.gz LTLGGEZNIGGYCP-YUELXQCFSA-N 2 1 232.371 2.335 20 0 BEADMP CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(OC)cc1 ZINC000233890057 388350053 /nfs/dbraw/zinc/35/00/53/388350053.db2.gz WLJSXSVOYRHCFJ-GXFFZTMASA-N 2 1 222.332 2.083 20 0 BEADMP C[C@H](C[NH3+])[NH2+]CC[C@H](C)c1ccccc1 ZINC000235451864 388369479 /nfs/dbraw/zinc/36/94/79/388369479.db2.gz IYPBDLLXAHPNQN-NWDGAFQWSA-N 2 1 206.333 2.117 20 0 BEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1c(F)cccc1F ZINC000572951413 388396911 /nfs/dbraw/zinc/39/69/11/388396911.db2.gz OVWOQEQEKSFGKU-DTWKUNHWSA-N 2 1 228.286 2.180 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000300997283 388397323 /nfs/dbraw/zinc/39/73/23/388397323.db2.gz VDJCDQGINXPJSY-QWRGUYRKSA-N 2 1 232.318 2.106 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000300997283 388397325 /nfs/dbraw/zinc/39/73/25/388397325.db2.gz VDJCDQGINXPJSY-QWRGUYRKSA-N 2 1 232.318 2.106 20 0 BEADMP C[NH2+]CC[N@H+](C)CC1CCC(C)(C)CC1 ZINC000261536723 135171833 /nfs/dbraw/zinc/17/18/33/135171833.db2.gz SQPNKRFVBZEOLJ-UHFFFAOYSA-N 2 1 212.381 2.354 20 0 BEADMP C[NH2+]CC[N@@H+](C)CC1CCC(C)(C)CC1 ZINC000261536723 135171834 /nfs/dbraw/zinc/17/18/34/135171834.db2.gz SQPNKRFVBZEOLJ-UHFFFAOYSA-N 2 1 212.381 2.354 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000335270658 388449167 /nfs/dbraw/zinc/44/91/67/388449167.db2.gz QISKAQSQBSFHBC-IYBDPMFKSA-N 2 1 244.382 2.426 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000336233461 388456403 /nfs/dbraw/zinc/45/64/03/388456403.db2.gz ORWYJXIVJSTUGI-UHFFFAOYSA-N 2 1 222.307 2.056 20 0 BEADMP Cc1ccc(F)cc1C[N@H+](C)C1CC([NH3+])C1 ZINC000336233461 388456405 /nfs/dbraw/zinc/45/64/05/388456405.db2.gz ORWYJXIVJSTUGI-UHFFFAOYSA-N 2 1 222.307 2.056 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cn1 ZINC000397304648 388458459 /nfs/dbraw/zinc/45/84/59/388458459.db2.gz LYEUKELYWFBAQR-ZLDLUXBVSA-N 2 1 247.386 2.195 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000336717618 388467754 /nfs/dbraw/zinc/46/77/54/388467754.db2.gz YCMUJNBEBMDCNA-STQMWFEESA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000034620096 388476426 /nfs/dbraw/zinc/47/64/26/388476426.db2.gz YAQVUKXLGVEJBT-QWHCGFSZSA-N 2 1 218.344 2.289 20 0 BEADMP Cc1[nH+]ccc(NCC(F)(F)C[NH3+])c1Cl ZINC000261538572 135176303 /nfs/dbraw/zinc/17/63/03/135176303.db2.gz YPXUEQRYXROFOO-UHFFFAOYSA-N 2 1 235.665 2.049 20 0 BEADMP C[N@H+]1CCC[C@@H]2C[NH+](C3CCCC3)CC[C@H]21 ZINC000245630668 388426020 /nfs/dbraw/zinc/42/60/20/388426020.db2.gz PYGVYQQLMWTVOK-TZMCWYRMSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCCC3)CC[C@H]21 ZINC000245630668 388426022 /nfs/dbraw/zinc/42/60/22/388426022.db2.gz PYGVYQQLMWTVOK-TZMCWYRMSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@H+](C3CCCC3)CC[C@H]21 ZINC000245630668 388426024 /nfs/dbraw/zinc/42/60/24/388426024.db2.gz PYGVYQQLMWTVOK-TZMCWYRMSA-N 2 1 222.376 2.345 20 0 BEADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)C1CCC1 ZINC000322351761 388432539 /nfs/dbraw/zinc/43/25/39/388432539.db2.gz DQGOJCPZZDLUFR-ZDUSSCGKSA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)C1CCC1 ZINC000322367552 388433232 /nfs/dbraw/zinc/43/32/32/388433232.db2.gz ILUDRGCICOCQMY-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@](C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)OC ZINC000322514412 388437373 /nfs/dbraw/zinc/43/73/73/388437373.db2.gz JTUQVBUJCCDHNK-BFHYXJOUSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1cccnc1CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000404868124 388438611 /nfs/dbraw/zinc/43/86/11/388438611.db2.gz MECSNEMWVQNFPJ-DZGCQCFKSA-N 2 1 247.386 2.053 20 0 BEADMP Cc1cccnc1CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000404868128 388439121 /nfs/dbraw/zinc/43/91/21/388439121.db2.gz MECSNEMWVQNFPJ-HIFRSBDPSA-N 2 1 247.386 2.053 20 0 BEADMP CCC(=O)CCC[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000649287147 388543181 /nfs/dbraw/zinc/54/31/81/388543181.db2.gz ISCXJULAGSTURB-ZDUSSCGKSA-N 2 1 249.358 2.279 20 0 BEADMP C[C@@H]([NH2+]Cc1c[nH+]ccc1N(C)C)C1CC1 ZINC000134997906 388482736 /nfs/dbraw/zinc/48/27/36/388482736.db2.gz VHDATOMRDMSGIZ-SNVBAGLBSA-N 2 1 219.332 2.036 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)C1CC1 ZINC000397976433 388513113 /nfs/dbraw/zinc/51/31/13/388513113.db2.gz KRJAUPNCDIHQBW-JQWIXIFHSA-N 2 1 210.365 2.153 20 0 BEADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](C[NH3+])C2)C1 ZINC000347093882 388521880 /nfs/dbraw/zinc/52/18/80/388521880.db2.gz GUQGYRUDRCRMGF-RDBSUJKOSA-N 2 1 224.392 2.483 20 0 BEADMP CO[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000379181735 388595843 /nfs/dbraw/zinc/59/58/43/388595843.db2.gz GOZMZMXFSFDUDY-NWANDNLSSA-N 2 1 248.370 2.043 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2F)[C@H]2CCC[C@@H]21 ZINC000550934147 388617542 /nfs/dbraw/zinc/61/75/42/388617542.db2.gz WVMNOXKPDVJCNZ-DGTMBMJNSA-N 2 1 240.366 2.339 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1[C@H](C)C[C@@H]1C ZINC000548753051 388557605 /nfs/dbraw/zinc/55/76/05/388557605.db2.gz KGNVUUBDXPRKLM-PHIMTYICSA-N 2 1 207.321 2.064 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548753051 388557608 /nfs/dbraw/zinc/55/76/08/388557608.db2.gz KGNVUUBDXPRKLM-PHIMTYICSA-N 2 1 207.321 2.064 20 0 BEADMP C[C@@H]1CC(F)(F)CC[N@H+]1CCCn1ccnc1 ZINC000528765781 388569704 /nfs/dbraw/zinc/56/97/04/388569704.db2.gz FRDLUFXPTYAFCK-LLVKDONJSA-N 2 1 243.301 2.393 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000248062011 388673178 /nfs/dbraw/zinc/67/31/78/388673178.db2.gz LWSSCNPFALWXKV-DZGCQCFKSA-N 2 1 247.386 2.005 20 0 BEADMP C[C@@H](CCc1ccco1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178660 388622194 /nfs/dbraw/zinc/62/21/94/388622194.db2.gz PNNCRCNOMWMRSK-GXTWGEPZSA-N 2 1 248.370 2.475 20 0 BEADMP COCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000125963792 388684128 /nfs/dbraw/zinc/68/41/28/388684128.db2.gz NOLJLDROLZGZEV-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC=C(C)CC1 ZINC000551264970 388624689 /nfs/dbraw/zinc/62/46/89/388624689.db2.gz HNHBEJHDKHIQDC-CQSZACIVSA-N 2 1 240.391 2.043 20 0 BEADMP C[C@@H]1CC(F)(F)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000530208511 388626839 /nfs/dbraw/zinc/62/68/39/388626839.db2.gz UGQNGIFFXHIJDP-SNVBAGLBSA-N 2 1 232.318 2.106 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000083056085 388629468 /nfs/dbraw/zinc/62/94/68/388629468.db2.gz MLXSVSLGIWPQKK-AAEUAGOBSA-N 2 1 210.365 2.106 20 0 BEADMP CC1(C)CC(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000530217093 388629919 /nfs/dbraw/zinc/62/99/19/388629919.db2.gz FIGDJMSYWHYERA-IHRRRGAJSA-N 2 1 236.403 2.482 20 0 BEADMP C[C@@H](Cc1ccoc1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530216249 388630615 /nfs/dbraw/zinc/63/06/15/388630615.db2.gz OWKPMIVYENEBDY-AAEUAGOBSA-N 2 1 234.343 2.085 20 0 BEADMP CC[C@H]1C[N@@H+](CC2CC(C)(C)C2)CC[C@@H]1[NH3+] ZINC000530217920 388630841 /nfs/dbraw/zinc/63/08/41/388630841.db2.gz JCWDBKXJBDBPEG-STQMWFEESA-N 2 1 224.392 2.482 20 0 BEADMP CC[C@H](C)[NH2+][C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000222664145 388642771 /nfs/dbraw/zinc/64/27/71/388642771.db2.gz HSBFDGTXXTXDQM-FRRDWIJNSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[NH2+][C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000222664145 388642773 /nfs/dbraw/zinc/64/27/73/388642773.db2.gz HSBFDGTXXTXDQM-FRRDWIJNSA-N 2 1 212.381 2.495 20 0 BEADMP CSCCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000223738935 388657662 /nfs/dbraw/zinc/65/76/62/388657662.db2.gz WHCKHGSYVBEZFS-NWDGAFQWSA-N 2 1 230.421 2.059 20 0 BEADMP CSCCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000223738667 388657940 /nfs/dbraw/zinc/65/79/40/388657940.db2.gz QIMVZSBPEYEUFG-RWMBFGLXSA-N 2 1 244.448 2.448 20 0 BEADMP CC[C@H](CSC)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223827559 388658685 /nfs/dbraw/zinc/65/86/85/388658685.db2.gz VEVTZUAXZHWZBR-TUAOUCFPSA-N 2 1 230.421 2.200 20 0 BEADMP CC[C@H](CSC)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223827559 388658688 /nfs/dbraw/zinc/65/86/88/388658688.db2.gz VEVTZUAXZHWZBR-TUAOUCFPSA-N 2 1 230.421 2.200 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000247390960 388662957 /nfs/dbraw/zinc/66/29/57/388662957.db2.gz VUNNSDBAXKQJGS-FRRDWIJNSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000247390960 388662958 /nfs/dbraw/zinc/66/29/58/388662958.db2.gz VUNNSDBAXKQJGS-FRRDWIJNSA-N 2 1 224.392 2.495 20 0 BEADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000521398902 388704539 /nfs/dbraw/zinc/70/45/39/388704539.db2.gz GMASNXQZSDUFSG-AWEZNQCLSA-N 2 1 230.355 2.247 20 0 BEADMP CSC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000228023092 388766145 /nfs/dbraw/zinc/76/61/45/388766145.db2.gz PIQKAGGOXVZLQP-QJPTWQEYSA-N 2 1 242.432 2.200 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CC2CC2)C1 ZINC000252715821 388774610 /nfs/dbraw/zinc/77/46/10/388774610.db2.gz WUOLIKCKIWIPNN-DGCLKSJQSA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CC2CC2)C1 ZINC000252715822 388775561 /nfs/dbraw/zinc/77/55/61/388775561.db2.gz WUOLIKCKIWIPNN-YPMHNXCESA-N 2 1 210.365 2.106 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)C2CC2)C1 ZINC000252717144 388775573 /nfs/dbraw/zinc/77/55/73/388775573.db2.gz ZWAFCOFRNMHMNP-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000252714798 388775633 /nfs/dbraw/zinc/77/56/33/388775633.db2.gz SYXDLIYCVKIPGB-KWCYVHTRSA-N 2 1 224.392 2.495 20 0 BEADMP CC[N@@H+](CC1CCC1)C[C@]1(C)CC[NH2+]C1 ZINC000230320746 388824062 /nfs/dbraw/zinc/82/40/62/388824062.db2.gz QQPCKLALTDCBNT-CYBMUJFWSA-N 2 1 210.365 2.108 20 0 BEADMP CCC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000230676188 388829306 /nfs/dbraw/zinc/82/93/06/388829306.db2.gz DLEFOXAYHPBHOM-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)COCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000129838596 388871760 /nfs/dbraw/zinc/87/17/60/388871760.db2.gz ALMFLNALDHYSHP-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)COCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129838359 388872215 /nfs/dbraw/zinc/87/22/15/388872215.db2.gz ALMFLNALDHYSHP-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000564823580 388891572 /nfs/dbraw/zinc/89/15/72/388891572.db2.gz HLINLAFPDHAXJF-HZMBPMFUSA-N 2 1 222.376 2.010 20 0 BEADMP CC[C@H]([NH2+]CCc1ccc(C)o1)[C@@H]1CCC[NH2+]1 ZINC000566091056 388985952 /nfs/dbraw/zinc/98/59/52/388985952.db2.gz YTNADXFNDZBMRT-KBPBESRZSA-N 2 1 236.359 2.251 20 0 BEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(F)cn1 ZINC000271858666 389026955 /nfs/dbraw/zinc/02/69/55/389026955.db2.gz JWOVWIVWZCPSMH-NSHDSACASA-N 2 1 249.333 2.133 20 0 BEADMP CCSCC[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000273747894 389042102 /nfs/dbraw/zinc/04/21/02/389042102.db2.gz OQZGTUXSRIXCJO-LLVKDONJSA-N 2 1 241.404 2.170 20 0 BEADMP COCCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166395484 533231836 /nfs/dbraw/zinc/23/18/36/533231836.db2.gz CAOAORRTKFXVRY-ZIAGYGMSSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@@H]([NH2+]CCCOc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400535497 533388500 /nfs/dbraw/zinc/38/85/00/533388500.db2.gz TURPPNSMMLATKA-UKRRQHHQSA-N 2 1 248.370 2.186 20 0 BEADMP C(=C/c1ccccc1)\C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261568762 533354107 /nfs/dbraw/zinc/35/41/07/533354107.db2.gz JJNPIWZTIPLCKW-YFWHOBGESA-N 2 1 242.366 2.241 20 0 BEADMP C(=C/c1ccccc1)\C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261568762 533354112 /nfs/dbraw/zinc/35/41/12/533354112.db2.gz JJNPIWZTIPLCKW-YFWHOBGESA-N 2 1 242.366 2.241 20 0 BEADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000261785991 533375725 /nfs/dbraw/zinc/37/57/25/533375725.db2.gz FVXOVBCOZHTXTA-OXLPJUHDSA-N 2 1 248.414 2.497 20 0 BEADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000261785991 533375732 /nfs/dbraw/zinc/37/57/32/533375732.db2.gz FVXOVBCOZHTXTA-OXLPJUHDSA-N 2 1 248.414 2.497 20 0 BEADMP Cc1cc(N2CC[N@H+]3CCCC[C@@H]3C2)cc[nH+]1 ZINC000274311101 132202771 /nfs/dbraw/zinc/20/27/71/132202771.db2.gz AVFJETPMUFKXMH-CQSZACIVSA-N 2 1 231.343 2.065 20 0 BEADMP Cc1cccc2c1cc[nH+]c2N1CCC([NH3+])CC1 ZINC000082765901 132310758 /nfs/dbraw/zinc/31/07/58/132310758.db2.gz JOQYPBKAYMFVLO-UHFFFAOYSA-N 2 1 241.338 2.471 20 0 BEADMP C1=CC[C@H](C[N@@H+]2CCN3CCC2CC3)CC1 ZINC000335996742 134042209 /nfs/dbraw/zinc/04/22/09/134042209.db2.gz ULJRYVLERRNENO-ZDUSSCGKSA-N 2 1 220.360 2.123 20 0 BEADMP C1=CC[C@H](C[N@H+]2CCN3CCC2CC3)CC1 ZINC000335996742 134042210 /nfs/dbraw/zinc/04/22/10/134042210.db2.gz ULJRYVLERRNENO-ZDUSSCGKSA-N 2 1 220.360 2.123 20 0 BEADMP C[C@H](F)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000352051357 134048193 /nfs/dbraw/zinc/04/81/93/134048193.db2.gz ZJQXEEBMTKIPAA-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H]3CC=CCC3)C2)C1 ZINC000336114477 134087491 /nfs/dbraw/zinc/08/74/91/134087491.db2.gz CFVMCDKAAGDXDM-HUUCEWRRSA-N 2 1 234.387 2.370 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H]3CC=CCC3)C2)C1 ZINC000336114477 134087492 /nfs/dbraw/zinc/08/74/92/134087492.db2.gz CFVMCDKAAGDXDM-HUUCEWRRSA-N 2 1 234.387 2.370 20 0 BEADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H](C)[NH3+])cc1 ZINC000336170485 134114836 /nfs/dbraw/zinc/11/48/36/134114836.db2.gz HAGMMNDSWCRZMA-OCCSQVGLSA-N 2 1 218.344 2.479 20 0 BEADMP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](C)[NH3+])cc1 ZINC000336170485 134114837 /nfs/dbraw/zinc/11/48/37/134114837.db2.gz HAGMMNDSWCRZMA-OCCSQVGLSA-N 2 1 218.344 2.479 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)C1CCC1 ZINC000177794849 134299722 /nfs/dbraw/zinc/29/97/22/134299722.db2.gz RNYQCXVJJWWMRX-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C[NH2+][C@@H](C)CCCOC)[NH+]1CCCC1 ZINC000177914755 134302100 /nfs/dbraw/zinc/30/21/00/134302100.db2.gz CFVMYBMLMPSUSX-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP CC[C@@H](C[NH2+][C@H](C)CCCOC)[NH+]1CCCC1 ZINC000177914772 134302128 /nfs/dbraw/zinc/30/21/28/134302128.db2.gz CFVMYBMLMPSUSX-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP C[N@H+]1CCC[C@H]2C[NH+](C[Si](C)(C)C)CC[C@@H]21 ZINC000178629240 134312140 /nfs/dbraw/zinc/31/21/40/134312140.db2.gz FWVDWNAGQWSCES-STQMWFEESA-N 2 1 240.467 2.280 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@H+](C[Si](C)(C)C)CC[C@@H]21 ZINC000178629240 134312141 /nfs/dbraw/zinc/31/21/41/134312141.db2.gz FWVDWNAGQWSCES-STQMWFEESA-N 2 1 240.467 2.280 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@@H+](C[Si](C)(C)C)CC[C@@H]21 ZINC000178629240 134312142 /nfs/dbraw/zinc/31/21/42/134312142.db2.gz FWVDWNAGQWSCES-STQMWFEESA-N 2 1 240.467 2.280 20 0 BEADMP CC[N@H+](CCCCn1cc[nH+]c1C)C1CC1 ZINC000179240647 134318730 /nfs/dbraw/zinc/31/87/30/134318730.db2.gz KFYWDVRHENRKLV-UHFFFAOYSA-N 2 1 221.348 2.456 20 0 BEADMP CC[N@@H+](CCCCn1cc[nH+]c1C)C1CC1 ZINC000179240647 134318731 /nfs/dbraw/zinc/31/87/31/134318731.db2.gz KFYWDVRHENRKLV-UHFFFAOYSA-N 2 1 221.348 2.456 20 0 BEADMP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000221784800 134326328 /nfs/dbraw/zinc/32/63/28/134326328.db2.gz ORGQYIWVYGXRSF-BZPMIXESSA-N 2 1 224.392 2.495 20 0 BEADMP CSCC[C@@H](C)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000222338488 134328946 /nfs/dbraw/zinc/32/89/46/134328946.db2.gz SHEVVPZFANWOON-NEPJUHHUSA-N 2 1 230.421 2.059 20 0 BEADMP CC[C@H](C)C[N@@H+](CC)C[C@@]1(C)CC[NH2+]C1 ZINC000223399930 134338811 /nfs/dbraw/zinc/33/88/11/134338811.db2.gz YSMFLGKSOAHNRM-STQMWFEESA-N 2 1 212.381 2.354 20 0 BEADMP Cc1cncc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000181842469 134340117 /nfs/dbraw/zinc/34/01/17/134340117.db2.gz UKGNIQBFDWHJAB-KCQAQPDRSA-N 2 1 247.386 2.208 20 0 BEADMP Cc1cncc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000181842469 134340118 /nfs/dbraw/zinc/34/01/18/134340118.db2.gz UKGNIQBFDWHJAB-KCQAQPDRSA-N 2 1 247.386 2.208 20 0 BEADMP C[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224118035 134342150 /nfs/dbraw/zinc/34/21/50/134342150.db2.gz CTXGMSAWONUCHY-UTLUCORTSA-N 2 1 238.297 2.400 20 0 BEADMP C[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224118035 134342151 /nfs/dbraw/zinc/34/21/51/134342151.db2.gz CTXGMSAWONUCHY-UTLUCORTSA-N 2 1 238.297 2.400 20 0 BEADMP CCC[N@H+](CC)CC[NH2+]C[C@H]1CCSC1 ZINC000226383915 134364869 /nfs/dbraw/zinc/36/48/69/134364869.db2.gz VXAHVVBULYXJSZ-GFCCVEGCSA-N 2 1 230.421 2.061 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+]C[C@H]1CCSC1 ZINC000226383915 134364870 /nfs/dbraw/zinc/36/48/70/134364870.db2.gz VXAHVVBULYXJSZ-GFCCVEGCSA-N 2 1 230.421 2.061 20 0 BEADMP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1c[nH]cn1 ZINC000185200892 134375186 /nfs/dbraw/zinc/37/51/86/134375186.db2.gz DVTHWXULNXUWMF-STQMWFEESA-N 2 1 237.347 2.093 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)C2)CC1 ZINC000070643533 135001464 /nfs/dbraw/zinc/00/14/64/135001464.db2.gz UJCZGJSPRDAUSU-DGCLKSJQSA-N 2 1 210.365 2.249 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC2(C)C)C1 ZINC000250346254 135052531 /nfs/dbraw/zinc/05/25/31/135052531.db2.gz QNAAKZYHTIAQJO-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)CCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250508840 135056266 /nfs/dbraw/zinc/05/62/66/135056266.db2.gz AVYBVBKYXPLCCL-QWHCGFSZSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCOC1 ZINC000251556863 135071064 /nfs/dbraw/zinc/07/10/64/135071064.db2.gz ADVDMASHOYPGNI-KGLIPLIRSA-N 2 1 240.391 2.020 20 0 BEADMP CCC[C@@H](C)[NH2+]CC[N@H+](C)[C@H](C)CC ZINC000251398893 135071587 /nfs/dbraw/zinc/07/15/87/135071587.db2.gz ZMRGFQRRUUOHKN-VXGBXAGGSA-N 2 1 200.370 2.495 20 0 BEADMP CCC[C@@H](C)[NH2+]CC[N@@H+](C)[C@H](C)CC ZINC000251398893 135071589 /nfs/dbraw/zinc/07/15/89/135071589.db2.gz ZMRGFQRRUUOHKN-VXGBXAGGSA-N 2 1 200.370 2.495 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000251734832 135075733 /nfs/dbraw/zinc/07/57/33/135075733.db2.gz JBHJTWQDTNZBKZ-VOAKCMCISA-N 2 1 210.365 2.153 20 0 BEADMP CC[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000251763027 135076426 /nfs/dbraw/zinc/07/64/26/135076426.db2.gz HTLOIIFJKSVNMK-UMSGYPCISA-N 2 1 212.381 2.351 20 0 BEADMP CC[C@H](C)C[N@@H+](CC)CC[C@H]1CC[NH2+]C1 ZINC000251857883 135078697 /nfs/dbraw/zinc/07/86/97/135078697.db2.gz OALCMGZWMITPMO-QWHCGFSZSA-N 2 1 212.381 2.354 20 0 BEADMP CC[C@H](C)C[N@@H+](CC)C[C@H]1CCC[NH2+]C1 ZINC000251844467 135079062 /nfs/dbraw/zinc/07/90/62/135079062.db2.gz LYOJSVUYWGMXOV-STQMWFEESA-N 2 1 212.381 2.354 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)C(C)C ZINC000251895916 135079896 /nfs/dbraw/zinc/07/98/96/135079896.db2.gz PIVKTFBXIKPZKL-VXGBXAGGSA-N 2 1 200.370 2.351 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)C(C)C ZINC000251895916 135079899 /nfs/dbraw/zinc/07/98/99/135079899.db2.gz PIVKTFBXIKPZKL-VXGBXAGGSA-N 2 1 200.370 2.351 20 0 BEADMP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000251859696 135080117 /nfs/dbraw/zinc/08/01/17/135080117.db2.gz SQEJTPZAELNHKX-AGIUHOORSA-N 2 1 210.365 2.297 20 0 BEADMP [NH3+]C[C@H]1CC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000086333525 135081550 /nfs/dbraw/zinc/08/15/50/135081550.db2.gz KJULWBFYQDHKBA-MRVPVSSYSA-N 2 1 230.764 2.182 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000086333525 135081552 /nfs/dbraw/zinc/08/15/52/135081552.db2.gz KJULWBFYQDHKBA-MRVPVSSYSA-N 2 1 230.764 2.182 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000252171360 135086120 /nfs/dbraw/zinc/08/61/20/135086120.db2.gz OACOQGIYOAHRGI-RFGFWPKPSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000252171360 135086121 /nfs/dbraw/zinc/08/61/21/135086121.db2.gz OACOQGIYOAHRGI-RFGFWPKPSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1OCC[C@H]1[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252691061 135096764 /nfs/dbraw/zinc/09/67/64/135096764.db2.gz WUSWMRASACCZSY-HZSPNIEDSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[C@@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000252686226 135097311 /nfs/dbraw/zinc/09/73/11/135097311.db2.gz JJSVFSLEJLEHRJ-UPJWGTAASA-N 2 1 210.365 2.249 20 0 BEADMP CCC[C@@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000252686226 135097312 /nfs/dbraw/zinc/09/73/12/135097312.db2.gz JJSVFSLEJLEHRJ-UPJWGTAASA-N 2 1 210.365 2.249 20 0 BEADMP Cc1ccsc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000086884477 135099458 /nfs/dbraw/zinc/09/94/58/135099458.db2.gz SNXWKUQNDKWVLI-GHMZBOCLSA-N 2 1 224.373 2.226 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CCCC1 ZINC000252711814 135101004 /nfs/dbraw/zinc/10/10/04/135101004.db2.gz KRLJCZIYNXKGSH-WCQYABFASA-N 2 1 210.365 2.106 20 0 BEADMP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252731156 135103469 /nfs/dbraw/zinc/10/34/69/135103469.db2.gz ONGGRQRKKHLWRI-NDBYEHHHSA-N 2 1 210.365 2.105 20 0 BEADMP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252731156 135103470 /nfs/dbraw/zinc/10/34/70/135103470.db2.gz ONGGRQRKKHLWRI-NDBYEHHHSA-N 2 1 210.365 2.105 20 0 BEADMP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000252732529 135104549 /nfs/dbraw/zinc/10/45/49/135104549.db2.gz VNTJYJUWWWZKQF-ITGHMWBKSA-N 2 1 224.392 2.493 20 0 BEADMP CSCC[C@H](C)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000253065096 135119900 /nfs/dbraw/zinc/11/99/00/135119900.db2.gz IBLBEKZCDIDESR-QWHCGFSZSA-N 2 1 244.448 2.450 20 0 BEADMP Cc1ccsc1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000087309998 135121717 /nfs/dbraw/zinc/12/17/17/135121717.db2.gz IBGOLLVELNBUHG-SNVBAGLBSA-N 2 1 212.362 2.129 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000258892663 135134978 /nfs/dbraw/zinc/13/49/78/135134978.db2.gz HDWRHXMKVZCLEE-BDAKNGLRSA-N 2 1 230.764 2.371 20 0 BEADMP c1csc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000257640629 135137655 /nfs/dbraw/zinc/13/76/55/135137655.db2.gz AVBBAQDNOCAGMB-ZDUSSCGKSA-N 2 1 236.384 2.324 20 0 BEADMP c1csc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000257640629 135137656 /nfs/dbraw/zinc/13/76/56/135137656.db2.gz AVBBAQDNOCAGMB-ZDUSSCGKSA-N 2 1 236.384 2.324 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000259167332 135137914 /nfs/dbraw/zinc/13/79/14/135137914.db2.gz VSNKKMOBFSPMQY-CHWSQXEVSA-N 2 1 230.311 2.402 20 0 BEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257690570 135139062 /nfs/dbraw/zinc/13/90/62/135139062.db2.gz JBACJOGWDMWQSV-UKRRQHHQSA-N 2 1 230.355 2.433 20 0 BEADMP C(C1CCCC1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257703392 135140222 /nfs/dbraw/zinc/14/02/22/135140222.db2.gz QRUQXZVRHHYQEQ-CQSZACIVSA-N 2 1 222.376 2.252 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000257712243 135141062 /nfs/dbraw/zinc/14/10/62/135141062.db2.gz TVAOOOMHXZPLEV-INIZCTEOSA-N 2 1 244.382 2.489 20 0 BEADMP Cc1ccsc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257739732 135141207 /nfs/dbraw/zinc/14/12/07/135141207.db2.gz YRVXABDGTABFLC-ZDUSSCGKSA-N 2 1 236.384 2.242 20 0 BEADMP CC(C)[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000257789556 135141610 /nfs/dbraw/zinc/14/16/10/135141610.db2.gz XGYZEFMDIWROOC-KBPBESRZSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1cccc(C)c1C ZINC000087472324 135143190 /nfs/dbraw/zinc/14/31/90/135143190.db2.gz YWLAUROUTDIXRS-UHFFFAOYSA-N 2 1 220.360 2.345 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000261530777 135158991 /nfs/dbraw/zinc/15/89/91/135158991.db2.gz DAOGTQJETADWAV-FVCCEPFGSA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261530859 135159203 /nfs/dbraw/zinc/15/92/03/135159203.db2.gz DIDRAFOUPUORSR-FRRDWIJNSA-N 2 1 212.381 2.351 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)s1 ZINC000261531191 135160229 /nfs/dbraw/zinc/16/02/29/135160229.db2.gz FPFYSVPCVXFHGE-LBPRGKRZSA-N 2 1 224.373 2.227 20 0 BEADMP CCC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000261531468 135161134 /nfs/dbraw/zinc/16/11/34/135161134.db2.gz GPNZLNQFZJBTSS-VXGBXAGGSA-N 2 1 210.365 2.249 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC2(C)CCC2)C1 ZINC000261531957 135161469 /nfs/dbraw/zinc/16/14/69/135161469.db2.gz IMSJZIIUFRFYEE-LBPRGKRZSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCCS1 ZINC000087667828 135162689 /nfs/dbraw/zinc/16/26/89/135162689.db2.gz GQOHRAQPBBWBEP-FVCCEPFGSA-N 2 1 242.432 2.200 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000261532753 135163034 /nfs/dbraw/zinc/16/30/34/135163034.db2.gz DWKNIUVZVJBHKL-YIYPIFLZSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H](C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000261533332 135165240 /nfs/dbraw/zinc/16/52/40/135165240.db2.gz GPMHLKIBQHNTNL-DYEKYZERSA-N 2 1 218.344 2.069 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](C)[C@H]2C)CC[NH2+]1 ZINC000261533910 135165722 /nfs/dbraw/zinc/16/57/22/135165722.db2.gz LDGOYXDXDFYFRM-REWJHTLYSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261533672 135166023 /nfs/dbraw/zinc/16/60/23/135166023.db2.gz JSPHLAMKDGFSQD-RDBSUJKOSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCS[C@@H](C)[C@H]2C)CC[NH2+]1 ZINC000261534772 135167634 /nfs/dbraw/zinc/16/76/34/135167634.db2.gz UCIVMCQTDWUCME-FVCCEPFGSA-N 2 1 242.432 2.200 20 0 BEADMP CC[C@H](c1ccccc1)[N@H+](CC)CC[NH3+] ZINC000261534844 135167951 /nfs/dbraw/zinc/16/79/51/135167951.db2.gz NENACCIAACYDOG-CYBMUJFWSA-N 2 1 206.333 2.418 20 0 BEADMP CC[C@H](c1ccccc1)[N@@H+](CC)CC[NH3+] ZINC000261534844 135167952 /nfs/dbraw/zinc/16/79/52/135167952.db2.gz NENACCIAACYDOG-CYBMUJFWSA-N 2 1 206.333 2.418 20 0 BEADMP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1CC1CCCCCC1 ZINC000261534857 135168804 /nfs/dbraw/zinc/16/88/04/135168804.db2.gz NFHFCLSXMCWUMF-YPMHNXCESA-N 2 1 210.365 2.378 20 0 BEADMP CC(C)[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000261535242 135169467 /nfs/dbraw/zinc/16/94/67/135169467.db2.gz XECAGSGUGWSYDN-MGPQQGTHSA-N 2 1 224.392 2.352 20 0 BEADMP CC1(C)CCC(C[N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC000261537089 135173463 /nfs/dbraw/zinc/17/34/63/135173463.db2.gz UVEJKFWUMILPSO-LBPRGKRZSA-N 2 1 210.365 2.236 20 0 BEADMP CC1(C)CCC(C[N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC000261537089 135173465 /nfs/dbraw/zinc/17/34/65/135173465.db2.gz UVEJKFWUMILPSO-LBPRGKRZSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000261537019 135173523 /nfs/dbraw/zinc/17/35/23/135173523.db2.gz UPBDOCGOENLOID-BBBLOLIVSA-N 2 1 210.296 2.212 20 0 BEADMP CC[C@H]1C[C@@H](C)C[N@H+]1CC1CC[NH2+]CC1 ZINC000261539021 135177070 /nfs/dbraw/zinc/17/70/70/135177070.db2.gz BJONZPNEMNGSHX-YPMHNXCESA-N 2 1 210.365 2.106 20 0 BEADMP Cc1ccc([C@@H](C)[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC000261538875 135177077 /nfs/dbraw/zinc/17/70/77/135177077.db2.gz ZRIHFXFSGQHZLI-NWDGAFQWSA-N 2 1 206.333 2.335 20 0 BEADMP Cc1ccc([C@@H](C)[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC000261538875 135177079 /nfs/dbraw/zinc/17/70/79/135177079.db2.gz ZRIHFXFSGQHZLI-NWDGAFQWSA-N 2 1 206.333 2.335 20 0 BEADMP Cc1ccc(F)c(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000261541954 135182031 /nfs/dbraw/zinc/18/20/31/135182031.db2.gz MYNLWWMGHNEGSJ-RYUDHWBXSA-N 2 1 236.334 2.303 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000261549577 135188278 /nfs/dbraw/zinc/18/82/78/135188278.db2.gz KQTVCDDMIFGAES-IUCAKERBSA-N 2 1 244.285 2.113 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000261552268 135190930 /nfs/dbraw/zinc/19/09/30/135190930.db2.gz MUTRJUVAGIAKIB-LXTVHRRPSA-N 2 1 236.403 2.354 20 0 BEADMP CCC(C)(C)CC[N@H+]1CCC[C@@H]1C[NH2+]C ZINC000261552914 135192148 /nfs/dbraw/zinc/19/21/48/135192148.db2.gz SBKRNRRZJPYGCU-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP Cc1ccc(F)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261554339 135193763 /nfs/dbraw/zinc/19/37/63/135193763.db2.gz ATVSFKSVLHOLPF-GXTWGEPZSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1ccc(F)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261554339 135193765 /nfs/dbraw/zinc/19/37/65/135193765.db2.gz ATVSFKSVLHOLPF-GXTWGEPZSA-N 2 1 248.345 2.175 20 0 BEADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1F ZINC000261556131 135196256 /nfs/dbraw/zinc/19/62/56/135196256.db2.gz QIXQLHIIPPNOBH-ZDUSSCGKSA-N 2 1 236.334 2.303 20 0 BEADMP CC[N@H+](Cc1ccccn1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261555994 135196437 /nfs/dbraw/zinc/19/64/37/135196437.db2.gz BTXUGWRIYUOHEO-KGLIPLIRSA-N 2 1 247.386 2.292 20 0 BEADMP CCOc1cccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000261556930 135197050 /nfs/dbraw/zinc/19/70/50/135197050.db2.gz CGKXMIJCPYXGPC-HNNXBMFYSA-N 2 1 248.370 2.256 20 0 BEADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccc(F)c(F)c1 ZINC000261556737 135197345 /nfs/dbraw/zinc/19/73/45/135197345.db2.gz QXSJAOSXCOHCCS-ZDUSSCGKSA-N 2 1 242.313 2.428 20 0 BEADMP Cc1ccc(C[N@H+](C)C2CC[NH2+]CC2)s1 ZINC000261557212 135197852 /nfs/dbraw/zinc/19/78/52/135197852.db2.gz XBJRWDRPJVKXPC-UHFFFAOYSA-N 2 1 224.373 2.240 20 0 BEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000261558088 135198494 /nfs/dbraw/zinc/19/84/94/135198494.db2.gz SGHYVCKLMWNWEF-GHMZBOCLSA-N 2 1 229.327 2.060 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000261560149 135201527 /nfs/dbraw/zinc/20/15/27/135201527.db2.gz UFZXTCGQTKOVBL-ILXRZTDVSA-N 2 1 236.403 2.498 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261561382 135203020 /nfs/dbraw/zinc/20/30/20/135203020.db2.gz VHFYVHGZICLGLM-CABCVRRESA-N 2 1 230.355 2.036 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261562011 135203841 /nfs/dbraw/zinc/20/38/41/135203841.db2.gz VXJZSGZBIAIVKM-LSDHHAIUSA-N 2 1 230.355 2.036 20 0 BEADMP C[C@@](C[NH3+])([NH2+]CCC1CCCC1)C1CC1 ZINC000261563876 135206092 /nfs/dbraw/zinc/20/60/92/135206092.db2.gz CEBIUXYHPDLBIU-ZDUSSCGKSA-N 2 1 210.365 2.284 20 0 BEADMP COc1cccc([C@@H](C)[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000261563963 135206186 /nfs/dbraw/zinc/20/61/86/135206186.db2.gz HDIKRDYLWVKQSC-IUODEOHRSA-N 2 1 248.370 2.427 20 0 BEADMP CCC[N@@H+](Cc1cccnc1C)C1CC[NH2+]CC1 ZINC000261564730 135206885 /nfs/dbraw/zinc/20/68/85/135206885.db2.gz HLDKPNUUAOHGFX-UHFFFAOYSA-N 2 1 247.386 2.354 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000261565663 135207640 /nfs/dbraw/zinc/20/76/40/135207640.db2.gz HXAQDRVUJNSRLH-ARFHVFGLSA-N 2 1 244.382 2.473 20 0 BEADMP Cc1ccccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261566583 135208353 /nfs/dbraw/zinc/20/83/53/135208353.db2.gz ZDDYZVFSBJPZBM-RRFJBIMHSA-N 2 1 230.355 2.164 20 0 BEADMP Cc1ccccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261566582 135208874 /nfs/dbraw/zinc/20/88/74/135208874.db2.gz ZDDYZVFSBJPZBM-KKUMJFAQSA-N 2 1 230.355 2.164 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2cccc(Cl)c2)CCC1 ZINC000261568121 135210542 /nfs/dbraw/zinc/21/05/42/135210542.db2.gz FJAAGXDCIVNIKU-UHFFFAOYSA-N 2 1 224.735 2.311 20 0 BEADMP C[C@@H]1[C@H](C)SCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000164176394 135214308 /nfs/dbraw/zinc/21/43/08/135214308.db2.gz WKCYGPCGWMNDGQ-AGIUHOORSA-N 2 1 242.432 2.202 20 0 BEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]12 ZINC000261574652 135216544 /nfs/dbraw/zinc/21/65/44/135216544.db2.gz JKCGDQCQVPLBHE-MELADBBJSA-N 2 1 222.376 2.236 20 0 BEADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)CC1CCCC1 ZINC000084385920 135218427 /nfs/dbraw/zinc/21/84/27/135218427.db2.gz MTLUKQHIZMXGGE-GFCCVEGCSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000261577891 135219056 /nfs/dbraw/zinc/21/90/56/135219056.db2.gz LMSYSTILCKXGRW-YPMHNXCESA-N 2 1 204.317 2.171 20 0 BEADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000261577891 135219058 /nfs/dbraw/zinc/21/90/58/135219058.db2.gz LMSYSTILCKXGRW-YPMHNXCESA-N 2 1 204.317 2.171 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1C ZINC000261578956 135219769 /nfs/dbraw/zinc/21/97/69/135219769.db2.gz PFJODEJQBYDGGN-INIZCTEOSA-N 2 1 244.382 2.489 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000261581614 135222076 /nfs/dbraw/zinc/22/20/76/135222076.db2.gz QUQXQJTYSSOGPQ-HOCLYGCPSA-N 2 1 244.382 2.476 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261585236 135225795 /nfs/dbraw/zinc/22/57/95/135225795.db2.gz SWJQHFZZMYXRIT-JKSUJKDBSA-N 2 1 244.382 2.433 20 0 BEADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])c1 ZINC000261588043 135228973 /nfs/dbraw/zinc/22/89/73/135228973.db2.gz VKCULNQVLKABEF-SNVBAGLBSA-N 2 1 249.358 2.033 20 0 BEADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1F ZINC000261592129 135232933 /nfs/dbraw/zinc/23/29/33/135232933.db2.gz YIEBXURHNIYXSA-GZBFAFLISA-N 2 1 248.345 2.303 20 0 BEADMP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000261593402 135233367 /nfs/dbraw/zinc/23/33/67/135233367.db2.gz WUAHUPUVSXPRJM-AXFHLTTASA-N 2 1 222.332 2.082 20 0 BEADMP CC(C)(C)[C@H]([NH2+]CC[NH3+])c1ccc(F)cc1 ZINC000261596821 135235671 /nfs/dbraw/zinc/23/56/71/135235671.db2.gz YYAYBDNNLYWOKD-GFCCVEGCSA-N 2 1 224.323 2.461 20 0 BEADMP C[C@@H]1CC[N@@H+](CCC2CCCC2)C[C@@H]1C[NH3+] ZINC000261599726 135237629 /nfs/dbraw/zinc/23/76/29/135237629.db2.gz ZZCHRKGNHGFAAW-OCCSQVGLSA-N 2 1 224.392 2.483 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1F ZINC000261546761 135239286 /nfs/dbraw/zinc/23/92/86/135239286.db2.gz HGIPIXCIRUTNEA-CQSZACIVSA-N 2 1 236.334 2.305 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1F ZINC000261546761 135239287 /nfs/dbraw/zinc/23/92/87/135239287.db2.gz HGIPIXCIRUTNEA-CQSZACIVSA-N 2 1 236.334 2.305 20 0 BEADMP CCC(C)(C)CC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261546687 135239454 /nfs/dbraw/zinc/23/94/54/135239454.db2.gz LFOTVAFIHORERU-VXGBXAGGSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000261547434 135239943 /nfs/dbraw/zinc/23/99/43/135239943.db2.gz IAFVTQCAASSGGK-FQKPHLNHSA-N 2 1 236.403 2.482 20 0 BEADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+]Cc1ccccc1 ZINC000261547112 135240445 /nfs/dbraw/zinc/24/04/45/135240445.db2.gz LVZJQLLYHYMAID-LBPRGKRZSA-N 2 1 240.297 2.021 20 0 BEADMP CC[N@@H+](CCC1CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000261547959 135240831 /nfs/dbraw/zinc/24/08/31/135240831.db2.gz MWZXEZFLNHGMEZ-ZDUSSCGKSA-N 2 1 210.365 2.108 20 0 BEADMP Cc1ccc(CC[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261754119 135250198 /nfs/dbraw/zinc/25/01/98/135250198.db2.gz LKAJZHDAFGZPQC-OAHLLOKOSA-N 2 1 232.371 2.208 20 0 BEADMP CS[C@H]1CCCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261759666 135250298 /nfs/dbraw/zinc/25/02/98/135250298.db2.gz LDLMSKSTNMGGJA-QWHCGFSZSA-N 2 1 242.432 2.204 20 0 BEADMP CS[C@@H]1CCCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261759663 135250436 /nfs/dbraw/zinc/25/04/36/135250436.db2.gz LDLMSKSTNMGGJA-OLZOCXBDSA-N 2 1 242.432 2.204 20 0 BEADMP CCC[N@@H+](Cc1cnccc1C)C1CC[NH2+]CC1 ZINC000261787885 135252576 /nfs/dbraw/zinc/25/25/76/135252576.db2.gz FZUAIRPSIBQZEO-UHFFFAOYSA-N 2 1 247.386 2.354 20 0 BEADMP C[C@H](C[N@@H+]1CCC[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000261790098 135253263 /nfs/dbraw/zinc/25/32/63/135253263.db2.gz GCBBSZBMKDIWNN-RISCZKNCSA-N 2 1 236.334 2.352 20 0 BEADMP C[C@H](C[N@H+]1CCC[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000261790098 135253264 /nfs/dbraw/zinc/25/32/64/135253264.db2.gz GCBBSZBMKDIWNN-RISCZKNCSA-N 2 1 236.334 2.352 20 0 BEADMP C[C@@H](C[N@@H+]1CCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000261790102 135253677 /nfs/dbraw/zinc/25/36/77/135253677.db2.gz GCBBSZBMKDIWNN-SMDDNHRTSA-N 2 1 236.334 2.352 20 0 BEADMP C[C@@H](C[N@H+]1CCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000261790102 135253678 /nfs/dbraw/zinc/25/36/78/135253678.db2.gz GCBBSZBMKDIWNN-SMDDNHRTSA-N 2 1 236.334 2.352 20 0 BEADMP C[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1(C)C ZINC000261813355 135255098 /nfs/dbraw/zinc/25/50/98/135255098.db2.gz HVAWEDALHFXRML-QWHCGFSZSA-N 2 1 224.392 2.354 20 0 BEADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1c1ccccc1 ZINC000261886428 135260130 /nfs/dbraw/zinc/26/01/30/135260130.db2.gz ZCCJFVJVAFXVDK-CVEARBPZSA-N 2 1 244.382 2.461 20 0 BEADMP C[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)CC12CCC2 ZINC000261917405 135262577 /nfs/dbraw/zinc/26/25/77/135262577.db2.gz ZUHBSANXONROJQ-UONOGXRCSA-N 2 1 236.403 2.498 20 0 BEADMP Cc1ccc(C2CC[NH+](CC(C)(C)[NH3+])CC2)cn1 ZINC000261948627 135265535 /nfs/dbraw/zinc/26/55/35/135265535.db2.gz NPXKTCAFBGIPSJ-UHFFFAOYSA-N 2 1 247.386 2.307 20 0 BEADMP C[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)CC12CCC2 ZINC000262012348 135272323 /nfs/dbraw/zinc/27/23/23/135272323.db2.gz VEJYUCKSNDTXOY-KBPBESRZSA-N 2 1 236.403 2.498 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)CC12CCC2 ZINC000262012349 135272483 /nfs/dbraw/zinc/27/24/83/135272483.db2.gz VEJYUCKSNDTXOY-KGLIPLIRSA-N 2 1 236.403 2.498 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3CCC[C@@H]32)CC[NH2+]1 ZINC000262013531 135273339 /nfs/dbraw/zinc/27/33/39/135273339.db2.gz UZPGLQJZOLKUSJ-MQYQWHSLSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@](C[NH3+])([NH2+]Cc1cccc(F)c1)C1CC1 ZINC000262069844 135277255 /nfs/dbraw/zinc/27/72/55/135277255.db2.gz CCBZEUWGZDOJIM-CYBMUJFWSA-N 2 1 222.307 2.043 20 0 BEADMP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCC(C)(C)C1 ZINC000262075162 135277942 /nfs/dbraw/zinc/27/79/42/135277942.db2.gz SKYXHOWRNMGDKB-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)C[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262149964 135282153 /nfs/dbraw/zinc/28/21/53/135282153.db2.gz ZVCRQDHQDAAVBI-UONOGXRCSA-N 2 1 224.392 2.354 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2ccc(F)c(Cl)c2)CCC1 ZINC000262166999 135282915 /nfs/dbraw/zinc/28/29/15/135282915.db2.gz UMUCZANOYVZAMF-UHFFFAOYSA-N 2 1 242.725 2.450 20 0 BEADMP Cc1nccn1CC[N@@H+]1CCC[C@H](C)CC1 ZINC000334168204 135324397 /nfs/dbraw/zinc/32/43/97/135324397.db2.gz ALCFZQNYJBNXBH-LBPRGKRZSA-N 2 1 221.348 2.314 20 0 BEADMP CC1CCC([N@H+](CC[NH3+])C[C@@H]2CCCO2)CC1 ZINC000263034892 135328075 /nfs/dbraw/zinc/32/80/75/135328075.db2.gz SFKOWDDOZROIOJ-RUXDESIVSA-N 2 1 240.391 2.005 20 0 BEADMP CC1CCC([N@@H+](CC[NH3+])C[C@@H]2CCCO2)CC1 ZINC000263034892 135328077 /nfs/dbraw/zinc/32/80/77/135328077.db2.gz SFKOWDDOZROIOJ-RUXDESIVSA-N 2 1 240.391 2.005 20 0 BEADMP C(C1CCCCC1)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000299892914 135380603 /nfs/dbraw/zinc/38/06/03/135380603.db2.gz FSANDADYTGBVNK-KGLIPLIRSA-N 2 1 222.376 2.251 20 0 BEADMP CC1(C)CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000084386220 135470483 /nfs/dbraw/zinc/47/04/83/135470483.db2.gz XDHGCTPBSKFALH-ZDUSSCGKSA-N 2 1 224.392 2.498 20 0 BEADMP C1CC1[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000348072346 136033611 /nfs/dbraw/zinc/03/36/11/136033611.db2.gz AOQNAWVRKNEHMN-GJZGRUSLSA-N 2 1 234.387 2.391 20 0 BEADMP Cc1cc(N)cc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000335356518 136062044 /nfs/dbraw/zinc/06/20/44/136062044.db2.gz DKUGESOVWICPHD-WFASDCNBSA-N 2 1 247.386 2.007 20 0 BEADMP CSC1(C[N@@H+](C)CCC[NH+]2CCCC2)CC1 ZINC000348333921 136075352 /nfs/dbraw/zinc/07/53/52/136075352.db2.gz CUECQXSKJYNSFL-UHFFFAOYSA-N 2 1 242.432 2.300 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](F)C2)[C@H]2CCC[C@H]21 ZINC000348391214 136076181 /nfs/dbraw/zinc/07/61/81/136076181.db2.gz HUPQOSUVPLTAOD-MQLXINIDSA-N 2 1 240.366 2.339 20 0 BEADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CC[NH3+] ZINC000335563647 136107079 /nfs/dbraw/zinc/10/70/79/136107079.db2.gz GSRLYANSNMMYEA-CQSZACIVSA-N 2 1 243.354 2.402 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CC[NH3+])c2sccc21 ZINC000335570042 136109542 /nfs/dbraw/zinc/10/95/42/136109542.db2.gz YCUMRTRLZMSQEX-SCZZXKLOSA-N 2 1 210.346 2.235 20 0 BEADMP CC(C)([NH3+])C[NH2+][C@H]1CCCNc2ccccc21 ZINC000335598673 136113901 /nfs/dbraw/zinc/11/39/01/136113901.db2.gz LGGCNCWWQSMPNN-ZDUSSCGKSA-N 2 1 233.359 2.260 20 0 BEADMP CC1(C)[C@H]([NH2+]Cc2ccccc2F)C[C@@H]1[NH3+] ZINC000404806680 397734710 /nfs/dbraw/zinc/73/47/10/397734710.db2.gz ZCMRCCVHDHZRGY-NWDGAFQWSA-N 2 1 222.307 2.041 20 0 BEADMP C[NH+](C)CCC[NH2+][C@H]1CCCc2occc21 ZINC000169190614 397809986 /nfs/dbraw/zinc/80/99/86/397809986.db2.gz ZBYIPMUEWXYDHC-LBPRGKRZSA-N 2 1 222.332 2.198 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccnc1 ZINC000624122434 397806996 /nfs/dbraw/zinc/80/69/96/397806996.db2.gz REHMAMMHZLHWPE-KBPBESRZSA-N 2 1 247.386 2.464 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccnc1 ZINC000624122434 397806998 /nfs/dbraw/zinc/80/69/98/397806998.db2.gz REHMAMMHZLHWPE-KBPBESRZSA-N 2 1 247.386 2.464 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000309600170 397865480 /nfs/dbraw/zinc/86/54/80/397865480.db2.gz XLQCONDYMDPRQQ-KBPBESRZSA-N 2 1 222.376 2.249 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000388106836 397871466 /nfs/dbraw/zinc/87/14/66/397871466.db2.gz XVXHKKGSJKJTOS-XJFOESAGSA-N 2 1 222.376 2.249 20 0 BEADMP CCc1cc(N[C@H]2CCC[C@H]([NH3+])C2)nc(C)[nH+]1 ZINC000382521977 397953739 /nfs/dbraw/zinc/95/37/39/397953739.db2.gz UCURXAQYTSDPKJ-JQWIXIFHSA-N 2 1 234.347 2.029 20 0 BEADMP CC[C@](C)(C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)OC ZINC000637929437 398044341 /nfs/dbraw/zinc/04/43/41/398044341.db2.gz ADWHLXJXDRJUGB-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP CC[C@](C)(C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)OC ZINC000637929437 398044343 /nfs/dbraw/zinc/04/43/43/398044343.db2.gz ADWHLXJXDRJUGB-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP CC[C@](C)(C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)OC ZINC000637929437 398044347 /nfs/dbraw/zinc/04/43/47/398044347.db2.gz ADWHLXJXDRJUGB-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP C[C@@H]1C[C@H](C[N@@H+](C)C(C2CC2)C2CC2)CC[NH2+]1 ZINC000414689753 398019894 /nfs/dbraw/zinc/01/98/94/398019894.db2.gz GVFHWZLLHGMGDN-VXGBXAGGSA-N 2 1 236.403 2.495 20 0 BEADMP Cc1ccncc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277359884 398027872 /nfs/dbraw/zinc/02/78/72/398027872.db2.gz XBJPVMKOXJNROS-HNNXBMFYSA-N 2 1 247.386 2.306 20 0 BEADMP Cc1ccncc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277359884 398027875 /nfs/dbraw/zinc/02/78/75/398027875.db2.gz XBJPVMKOXJNROS-HNNXBMFYSA-N 2 1 247.386 2.306 20 0 BEADMP CC[C@@H]1CCC[C@H]([NH2+][C@H](C[NH3+])C2CC2)C1 ZINC000414792240 398038801 /nfs/dbraw/zinc/03/88/01/398038801.db2.gz BYVJQOWQSFHGHI-KGYLQXTDSA-N 2 1 210.365 2.282 20 0 BEADMP Cc1ccoc1CN1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000272625687 397980543 /nfs/dbraw/zinc/98/05/43/397980543.db2.gz MNNJFUBWGPABCX-CHWSQXEVSA-N 2 1 234.343 2.114 20 0 BEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C(C)C)cn1 ZINC000051491117 398056298 /nfs/dbraw/zinc/05/62/98/398056298.db2.gz CWTSOSYNBZAMJO-UHFFFAOYSA-N 2 1 230.315 2.074 20 0 BEADMP CC(C)[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000223996330 398101762 /nfs/dbraw/zinc/10/17/62/398101762.db2.gz ZJMYMCNKXRGTBL-FRRDWIJNSA-N 2 1 212.381 2.208 20 0 BEADMP C[C@]1(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)CC[NH2+]C1 ZINC000062911299 1172788812 /nfs/dbraw/zinc/78/88/12/1172788812.db2.gz KRKXMBZXTGFWRU-ZNMIVQPWSA-N 2 1 236.403 2.498 20 0 BEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccsc1 ZINC000063146983 1172802173 /nfs/dbraw/zinc/80/21/73/1172802173.db2.gz SXQSDMZUPPICMW-YHWZYXNKSA-N 2 1 236.384 2.463 20 0 BEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccsc1 ZINC000063146983 1172802181 /nfs/dbraw/zinc/80/21/81/1172802181.db2.gz SXQSDMZUPPICMW-YHWZYXNKSA-N 2 1 236.384 2.463 20 0 BEADMP CO[C@H]1CCC[C@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C1 ZINC000685662243 487571743 /nfs/dbraw/zinc/57/17/43/487571743.db2.gz XQQSWZJFODXXLU-RDBSUJKOSA-N 2 1 242.407 2.262 20 0 BEADMP CO[C@H]1CCC[C@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000685662243 487571748 /nfs/dbraw/zinc/57/17/48/487571748.db2.gz XQQSWZJFODXXLU-RDBSUJKOSA-N 2 1 242.407 2.262 20 0 BEADMP CC(C)OCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020524045 167221546 /nfs/dbraw/zinc/22/15/46/167221546.db2.gz HPIIGXYXKKDYJQ-AGUYFDCRSA-N 2 1 240.391 2.016 20 0 BEADMP CC(C)(CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1)C1CC1 ZINC000406018895 487585417 /nfs/dbraw/zinc/58/54/17/487585417.db2.gz CPVFNGYRKKFBDH-HNNXBMFYSA-N 2 1 236.403 2.498 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668820996 487596458 /nfs/dbraw/zinc/59/64/58/487596458.db2.gz ZZCGQSMIIVMAOT-SNPRPXQTSA-N 2 1 236.403 2.354 20 0 BEADMP COCC[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000531780033 487602177 /nfs/dbraw/zinc/60/21/77/487602177.db2.gz ZEBCUCWWHIPQQA-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP COCC[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000531780033 487602180 /nfs/dbraw/zinc/60/21/80/487602180.db2.gz ZEBCUCWWHIPQQA-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP COCC[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000531780033 487602182 /nfs/dbraw/zinc/60/21/82/487602182.db2.gz ZEBCUCWWHIPQQA-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP C[C@H](CCC1CC1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000398109431 487604356 /nfs/dbraw/zinc/60/43/56/487604356.db2.gz WTLQOFJIVZDXAG-YPMHNXCESA-N 2 1 210.365 2.297 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000662264459 409561982 /nfs/dbraw/zinc/56/19/82/409561982.db2.gz DHAXZANEWPIOHJ-YPMHNXCESA-N 2 1 246.345 2.353 20 0 BEADMP CN[C@@H]1CC[N@@H+](C[C@H]2CCCCC2(C)C)C1 ZINC000662241491 409529662 /nfs/dbraw/zinc/52/96/62/409529662.db2.gz SVVNVBBRAKCRQS-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CO[C@H](C[N@H+]1CCCC[C@@H]1CN)C1CCCC1 ZINC000662243067 409533976 /nfs/dbraw/zinc/53/39/76/409533976.db2.gz KZSLIZCLMUVDCY-ZIAGYGMSSA-N 2 1 240.391 2.005 20 0 BEADMP CO[C@H](C[N@@H+]1CCCC[C@@H]1C[NH3+])C1CCCC1 ZINC000662243067 409533987 /nfs/dbraw/zinc/53/39/87/409533987.db2.gz KZSLIZCLMUVDCY-ZIAGYGMSSA-N 2 1 240.391 2.005 20 0 BEADMP CO[C@H](C[N@H+]1CCCC[C@@H]1C[NH3+])C1CCCC1 ZINC000662243067 409533993 /nfs/dbraw/zinc/53/39/93/409533993.db2.gz KZSLIZCLMUVDCY-ZIAGYGMSSA-N 2 1 240.391 2.005 20 0 BEADMP CO[C@H](CN1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000662243269 409534213 /nfs/dbraw/zinc/53/42/13/409534213.db2.gz AILBNKWHNYZGHA-ZIAGYGMSSA-N 2 1 240.391 2.005 20 0 BEADMP CO[C@H](C[N@@H+]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000662243269 409534223 /nfs/dbraw/zinc/53/42/23/409534223.db2.gz AILBNKWHNYZGHA-ZIAGYGMSSA-N 2 1 240.391 2.005 20 0 BEADMP CO[C@H](C[N@H+]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000662243269 409534235 /nfs/dbraw/zinc/53/42/35/409534235.db2.gz AILBNKWHNYZGHA-ZIAGYGMSSA-N 2 1 240.391 2.005 20 0 BEADMP CC(C)=CCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000662286152 409618798 /nfs/dbraw/zinc/61/87/98/409618798.db2.gz OUNAJLCQCYREDN-KBPBESRZSA-N 2 1 222.376 2.404 20 0 BEADMP C[C@@H]1CCC[N@@H+](Cc2ccon2)[C@@H]1CCC[NH3+] ZINC000662318462 409637000 /nfs/dbraw/zinc/63/70/00/409637000.db2.gz ZVDZIGMEAZHCMI-DGCLKSJQSA-N 2 1 237.347 2.014 20 0 BEADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662270978 409574188 /nfs/dbraw/zinc/57/41/88/409574188.db2.gz CYBCLAYQEHRRMO-YIYPIFLZSA-N 2 1 222.376 2.093 20 0 BEADMP CC[C@@H](CC(F)F)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000662272874 409579132 /nfs/dbraw/zinc/57/91/32/409579132.db2.gz JNKHIPRRSUWAOL-JQWIXIFHSA-N 2 1 234.334 2.339 20 0 BEADMP C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C1CCC1 ZINC000662275056 409584095 /nfs/dbraw/zinc/58/40/95/409584095.db2.gz QOTMYEVXRKBPDE-GJZGRUSLSA-N 2 1 236.403 2.498 20 0 BEADMP C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C1CCC1 ZINC000662275055 409584572 /nfs/dbraw/zinc/58/45/72/409584572.db2.gz QOTMYEVXRKBPDE-CABCVRRESA-N 2 1 236.403 2.498 20 0 BEADMP C[C@]1(F)CNCC[N@@H+](CCCC2CCC2)C1 ZINC000662274922 409585311 /nfs/dbraw/zinc/58/53/11/409585311.db2.gz YQVSVECXNWBPOG-ZDUSSCGKSA-N 2 1 228.355 2.200 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000662277865 409594003 /nfs/dbraw/zinc/59/40/03/409594003.db2.gz SIYZZLOOXXMYCZ-LVQVYYBASA-N 2 1 248.414 2.498 20 0 BEADMP C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000662278451 409596845 /nfs/dbraw/zinc/59/68/45/409596845.db2.gz XRUUNZCOWCLYMD-CQSZACIVSA-N 2 1 222.376 2.252 20 0 BEADMP CC(C)SCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000309408773 167332043 /nfs/dbraw/zinc/33/20/43/167332043.db2.gz VGUWPJDESYXNGT-RWMBFGLXSA-N 2 1 244.448 2.446 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc2c1CCC2 ZINC000650703628 410332182 /nfs/dbraw/zinc/33/21/82/410332182.db2.gz JNBRGMNLKISDCI-IAQYHMDHSA-N 2 1 230.355 2.097 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc2c1CCC2 ZINC000650703628 410332188 /nfs/dbraw/zinc/33/21/88/410332188.db2.gz JNBRGMNLKISDCI-IAQYHMDHSA-N 2 1 230.355 2.097 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000650702789 410333506 /nfs/dbraw/zinc/33/35/06/410333506.db2.gz VAYHJRDYOSELLZ-ZDUSSCGKSA-N 2 1 244.382 2.217 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CCC3)CC[C@H]1[NH3+] ZINC000650703247 410334842 /nfs/dbraw/zinc/33/48/42/410334842.db2.gz QYZUBTWLWWUKFV-MLGOLLRUSA-N 2 1 244.382 2.344 20 0 BEADMP CC(C)([NH3+])C[NH2+]Cc1cccc2c1CCC2 ZINC000650703874 410335609 /nfs/dbraw/zinc/33/56/09/410335609.db2.gz VWQRPLOESZSYFE-UHFFFAOYSA-N 2 1 218.344 2.002 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000650724298 410359422 /nfs/dbraw/zinc/35/94/22/410359422.db2.gz CAEOBYJRJZTMNA-MNOVXSKESA-N 2 1 232.318 2.091 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000650724298 410359427 /nfs/dbraw/zinc/35/94/27/410359427.db2.gz CAEOBYJRJZTMNA-MNOVXSKESA-N 2 1 232.318 2.091 20 0 BEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(O)c2)C[C@H]1C[NH3+] ZINC000397251759 410534738 /nfs/dbraw/zinc/53/47/38/410534738.db2.gz CWFMYBCJYQGPAS-YRGRVCCFSA-N 2 1 248.370 2.197 20 0 BEADMP CC[C@@H]1C[N@@H+](CCCCCF)CC[C@@H]1[NH3+] ZINC000308916722 410813609 /nfs/dbraw/zinc/81/36/09/410813609.db2.gz INEBBGKPIJBPOK-NEPJUHHUSA-N 2 1 216.344 2.185 20 0 BEADMP CC(C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000053656068 410861115 /nfs/dbraw/zinc/86/11/15/410861115.db2.gz TXODJEAQRABGOV-ZDUSSCGKSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)OC[C@@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000374325888 167259085 /nfs/dbraw/zinc/25/90/85/167259085.db2.gz CYTZAOKQVUYKID-HZSPNIEDSA-N 2 1 240.391 2.016 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCSCC1 ZINC000045692119 169787624 /nfs/dbraw/zinc/78/76/24/169787624.db2.gz JQHUZBPWAQBAIZ-NSHDSACASA-N 2 1 230.421 2.202 20 0 BEADMP CC(C)[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037485323 167382268 /nfs/dbraw/zinc/38/22/68/167382268.db2.gz SIBOLWGNPWOXSP-NEPJUHHUSA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)[C@@H](C[NH2+][C@H]1CCSC1)[NH+]1CCCC1 ZINC000020200597 167398032 /nfs/dbraw/zinc/39/80/32/167398032.db2.gz LLPCZQUXFXNPDO-QWHCGFSZSA-N 2 1 242.432 2.202 20 0 BEADMP Cc1cc(NCCC[N@H+](C)CC(C)C)cc[nH+]1 ZINC000651363328 410952780 /nfs/dbraw/zinc/95/27/80/410952780.db2.gz USDDPJMSQOLFPA-UHFFFAOYSA-N 2 1 235.375 2.202 20 0 BEADMP C[C@H](c1ccncc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169533 411137199 /nfs/dbraw/zinc/13/71/99/411137199.db2.gz LNVKLPADSXMBRT-CHWSQXEVSA-N 2 1 233.359 2.203 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@@H]1CCSC1 ZINC000651865996 411147806 /nfs/dbraw/zinc/14/78/06/411147806.db2.gz PSALBMVCDLESEM-ZDUSSCGKSA-N 2 1 244.448 2.307 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cc[nH]c1 ZINC000651866117 411147900 /nfs/dbraw/zinc/14/79/00/411147900.db2.gz VOYGPASUXMWNPK-UHFFFAOYSA-N 2 1 223.364 2.082 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@H]1C[C@H]1C ZINC000651865868 411148057 /nfs/dbraw/zinc/14/80/57/411148057.db2.gz KQLCMTSALPHJOK-CHWSQXEVSA-N 2 1 212.381 2.210 20 0 BEADMP Cc1cnccc1C[NH2+]CCC[N@@H+](C)CC(C)C ZINC000651865525 411148071 /nfs/dbraw/zinc/14/80/71/411148071.db2.gz ZWGOXDFQVGUIJE-UHFFFAOYSA-N 2 1 249.402 2.458 20 0 BEADMP Cc1cnccc1C[NH2+]CCC[N@H+](C)CC(C)C ZINC000651865525 411148072 /nfs/dbraw/zinc/14/80/72/411148072.db2.gz ZWGOXDFQVGUIJE-UHFFFAOYSA-N 2 1 249.402 2.458 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCSC1 ZINC000651865690 411148084 /nfs/dbraw/zinc/14/80/84/411148084.db2.gz DNCWUENLYACNDP-LBPRGKRZSA-N 2 1 230.421 2.059 20 0 BEADMP C[C@H]1C[C@@H]([NH+](C)CC2CC=CC2)CC[N@@H+]1C ZINC000659983610 411155236 /nfs/dbraw/zinc/15/52/36/411155236.db2.gz QZGJPEPWIFDYPT-JSGCOSHPSA-N 2 1 222.376 2.367 20 0 BEADMP C[C@H]1C[C@@H]([NH+](C)CC2CC=CC2)CC[N@H+]1C ZINC000659983610 411155237 /nfs/dbraw/zinc/15/52/37/411155237.db2.gz QZGJPEPWIFDYPT-JSGCOSHPSA-N 2 1 222.376 2.367 20 0 BEADMP C[C@H]1C[C@@H]([N@H+](C)CC2CC=CC2)CC[NH+]1C ZINC000659983610 411155241 /nfs/dbraw/zinc/15/52/41/411155241.db2.gz QZGJPEPWIFDYPT-JSGCOSHPSA-N 2 1 222.376 2.367 20 0 BEADMP C[C@H]1C[C@@H]([N@@H+](C)CC2CC=CC2)CC[NH+]1C ZINC000659983610 411155244 /nfs/dbraw/zinc/15/52/44/411155244.db2.gz QZGJPEPWIFDYPT-JSGCOSHPSA-N 2 1 222.376 2.367 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2CC=CC2)C1 ZINC000659989851 411158202 /nfs/dbraw/zinc/15/82/02/411158202.db2.gz UYRFLLUYSIKYGV-AWEZNQCLSA-N 2 1 222.376 2.226 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC2CC=CC2)C1 ZINC000659989851 411158205 /nfs/dbraw/zinc/15/82/05/411158205.db2.gz UYRFLLUYSIKYGV-AWEZNQCLSA-N 2 1 222.376 2.226 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2CC=CC2)C1 ZINC000659989851 411158207 /nfs/dbraw/zinc/15/82/07/411158207.db2.gz UYRFLLUYSIKYGV-AWEZNQCLSA-N 2 1 222.376 2.226 20 0 BEADMP CCC[N@H+](CC)CC[NH2+]C1CC(CF)(CF)C1 ZINC000657897178 411158884 /nfs/dbraw/zinc/15/88/84/411158884.db2.gz CYPSGUAUMKQWQK-UHFFFAOYSA-N 2 1 248.361 2.396 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+]C1CC(CF)(CF)C1 ZINC000657897178 411158888 /nfs/dbraw/zinc/15/88/88/411158888.db2.gz CYPSGUAUMKQWQK-UHFFFAOYSA-N 2 1 248.361 2.396 20 0 BEADMP C[C@H](C[NH3+])[N@H+](C)CCCc1c(F)cccc1F ZINC000655938503 411161451 /nfs/dbraw/zinc/16/14/51/411161451.db2.gz WLSDYBUTLXHWTN-SNVBAGLBSA-N 2 1 242.313 2.176 20 0 BEADMP C[C@H](C[NH3+])[N@@H+](C)CCCc1c(F)cccc1F ZINC000655938503 411161453 /nfs/dbraw/zinc/16/14/53/411161453.db2.gz WLSDYBUTLXHWTN-SNVBAGLBSA-N 2 1 242.313 2.176 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCOC1(C)C ZINC000652222384 411175853 /nfs/dbraw/zinc/17/58/53/411175853.db2.gz MUUKBJVALXKKIB-ZDUSSCGKSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)c1cccnc1 ZINC000123689889 411182515 /nfs/dbraw/zinc/18/25/15/411182515.db2.gz TZQWZXRENOMPNU-GXTWGEPZSA-N 2 1 235.375 2.448 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000123689889 411182518 /nfs/dbraw/zinc/18/25/18/411182518.db2.gz TZQWZXRENOMPNU-GXTWGEPZSA-N 2 1 235.375 2.448 20 0 BEADMP Cc1cc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc[nH+]1 ZINC000656226757 411213488 /nfs/dbraw/zinc/21/34/88/411213488.db2.gz OAWJTKRTNXJYQG-LSDHHAIUSA-N 2 1 245.370 2.241 20 0 BEADMP CC(C)OCCC[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652355013 411215097 /nfs/dbraw/zinc/21/50/97/411215097.db2.gz MRFVCJVZZFABEV-ZIAGYGMSSA-N 2 1 242.407 2.251 20 0 BEADMP C[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000310129691 411216512 /nfs/dbraw/zinc/21/65/12/411216512.db2.gz AABBQKYUVTZBIO-YUELXQCFSA-N 2 1 236.403 2.354 20 0 BEADMP CCCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652360349 411218831 /nfs/dbraw/zinc/21/88/31/411218831.db2.gz FXFKFCJNKNJLMK-MJBXVCDLSA-N 2 1 240.391 2.147 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)SC2)CC1 ZINC000655683619 411225686 /nfs/dbraw/zinc/22/56/86/411225686.db2.gz SOHHAIROGUUEDK-WCQYABFASA-N 2 1 242.432 2.344 20 0 BEADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423203095 411237387 /nfs/dbraw/zinc/23/73/87/411237387.db2.gz CAQAPXMADUEHOP-CHWSQXEVSA-N 2 1 247.386 2.294 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655710052 411262328 /nfs/dbraw/zinc/26/23/28/411262328.db2.gz ADXIIUKGINCUFU-PWSUYJOCSA-N 2 1 239.388 2.065 20 0 BEADMP CCC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000309843139 411276568 /nfs/dbraw/zinc/27/65/68/411276568.db2.gz RAMQXRTWIOZHSD-CHWSQXEVSA-N 2 1 210.365 2.108 20 0 BEADMP CC[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000070652738 411284809 /nfs/dbraw/zinc/28/48/09/411284809.db2.gz KDPTYCOQBZDIDX-QWHCGFSZSA-N 2 1 210.365 2.108 20 0 BEADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCCCCC1 ZINC000051889541 411285221 /nfs/dbraw/zinc/28/52/21/411285221.db2.gz FFITTXVYOFQKCB-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)CC1CCCCC1 ZINC000051889666 411285240 /nfs/dbraw/zinc/28/52/40/411285240.db2.gz OTRFTXIJRNRZPT-CYBMUJFWSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000051889825 411285275 /nfs/dbraw/zinc/28/52/75/411285275.db2.gz KBOIENMSRJEDCI-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@]2(C)CC2(C)C)CC[N@@H+]1C ZINC000658305850 411328969 /nfs/dbraw/zinc/32/89/69/411328969.db2.gz BHPDVGMIOFUWKA-NTZNESFSSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@]2(C)CC2(C)C)CC[N@H+]1C ZINC000658305850 411328971 /nfs/dbraw/zinc/32/89/71/411328971.db2.gz BHPDVGMIOFUWKA-NTZNESFSSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)O1 ZINC000658220350 411299739 /nfs/dbraw/zinc/29/97/39/411299739.db2.gz PTSPCOZABSFFQI-REWJHTLYSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000658236332 411305977 /nfs/dbraw/zinc/30/59/77/411305977.db2.gz INWQLCYMKMXVCQ-QWHCGFSZSA-N 2 1 210.365 2.249 20 0 BEADMP CCC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OC ZINC000393415653 411312083 /nfs/dbraw/zinc/31/20/83/411312083.db2.gz AKFPITFVLRHIPY-WTUNAVPPSA-N 2 1 240.391 2.016 20 0 BEADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC2(C1)CCCCC2 ZINC000303391623 411318234 /nfs/dbraw/zinc/31/82/34/411318234.db2.gz OXRYXYAKBKMREJ-ZDUSSCGKSA-N 2 1 222.376 2.252 20 0 BEADMP CC1(C)C[C@]1(C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000658300747 411326592 /nfs/dbraw/zinc/32/65/92/411326592.db2.gz FKFKIOJSNJZFDV-AWEZNQCLSA-N 2 1 222.376 2.391 20 0 BEADMP Cc1ccncc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000658127167 411254270 /nfs/dbraw/zinc/25/42/70/411254270.db2.gz SEFHSWLNTFSASC-DZGCQCFKSA-N 2 1 247.386 2.005 20 0 BEADMP C[C@@H](CC(C)(C)C)[NH2+]CCc1c[nH+]cn1C ZINC000401639148 411257929 /nfs/dbraw/zinc/25/79/29/411257929.db2.gz GCXPWWLJFBZSKN-NSHDSACASA-N 2 1 223.364 2.377 20 0 BEADMP CC1(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000656782404 411359847 /nfs/dbraw/zinc/35/98/47/411359847.db2.gz FZHUTDSIIJMWAW-CQSZACIVSA-N 2 1 236.403 2.498 20 0 BEADMP C[C@H]1CCCC[C@H]1C[N@@H+](C)CC(C)(C)N ZINC000656786371 411366150 /nfs/dbraw/zinc/36/61/50/411366150.db2.gz XZEIDINGNHDUBB-RYUDHWBXSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@H]1CCCC[C@H]1CN(C)CC(C)(C)[NH3+] ZINC000656786371 411366154 /nfs/dbraw/zinc/36/61/54/411366154.db2.gz XZEIDINGNHDUBB-RYUDHWBXSA-N 2 1 212.381 2.482 20 0 BEADMP COc1ccsc1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788389 411367556 /nfs/dbraw/zinc/36/75/56/411367556.db2.gz MSOUMWNFFPAWRG-UHFFFAOYSA-N 2 1 240.372 2.118 20 0 BEADMP c1ccc(C[C@H]2CCC[C@H]2[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000656788168 411367973 /nfs/dbraw/zinc/36/79/73/411367973.db2.gz QKVRXHYFZWJNQZ-OWCLPIDISA-N 2 1 244.382 2.349 20 0 BEADMP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000656788063 411368272 /nfs/dbraw/zinc/36/82/72/411368272.db2.gz OOQVVOTXNPRZOG-MHEUCROKSA-N 2 1 230.355 2.130 20 0 BEADMP C[C@H]1C[C@@H]1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656789344 411369605 /nfs/dbraw/zinc/36/96/05/411369605.db2.gz WEHDNRVCCFLPKG-LCGIIJARSA-N 2 1 244.382 2.378 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](CCF)C2)CC[NH2+]1 ZINC000656790831 411370826 /nfs/dbraw/zinc/37/08/26/411370826.db2.gz BITBVESPENEHOB-HZSPNIEDSA-N 2 1 242.382 2.446 20 0 BEADMP CC(C)CC1([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000658321739 411333924 /nfs/dbraw/zinc/33/39/24/411333924.db2.gz VLJSXIWNKLLPPP-UHFFFAOYSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)([NH3+])C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000656791829 411371812 /nfs/dbraw/zinc/37/18/12/411371812.db2.gz KTGBNDDBEBNDSF-CYBMUJFWSA-N 2 1 240.391 2.005 20 0 BEADMP [NH3+]CCC[N@H+](Cc1ccccc1F)CC1CC1 ZINC000656791763 411372149 /nfs/dbraw/zinc/37/21/49/411372149.db2.gz JTLNCCCGDXRODI-UHFFFAOYSA-N 2 1 236.334 2.387 20 0 BEADMP CC(C)c1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000659849011 411341262 /nfs/dbraw/zinc/34/12/62/411341262.db2.gz DPSTWOWLAUNDFK-IYBDPMFKSA-N 2 1 244.382 2.461 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC000227204930 168153348 /nfs/dbraw/zinc/15/33/48/168153348.db2.gz CMCMKDNEIOXJQH-YIOUJQMASA-N 2 1 224.392 2.482 20 0 BEADMP CC1CCC([N@@H+](CCOCC[NH3+])C2CC2)CC1 ZINC000357075409 168160364 /nfs/dbraw/zinc/16/03/64/168160364.db2.gz HOPGNWWBVMDKQP-UHFFFAOYSA-N 2 1 240.391 2.005 20 0 BEADMP CC1CC[NH+](CCC[NH2+]Cc2cccn2C)CC1 ZINC000020360610 168178860 /nfs/dbraw/zinc/17/88/60/168178860.db2.gz KIDCQLYMEIVRFR-UHFFFAOYSA-N 2 1 249.402 2.237 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404321812 411390539 /nfs/dbraw/zinc/39/05/39/411390539.db2.gz RFYCWGKIGNNWMX-QWHCGFSZSA-N 2 1 212.381 2.482 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357075967 168276595 /nfs/dbraw/zinc/27/65/95/168276595.db2.gz JNKMEHOBIWIRMS-STQMWFEESA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1CCC[N@@H+](Cc2cncs2)[C@H]1CC[NH3+] ZINC000404277096 411387367 /nfs/dbraw/zinc/38/73/67/411387367.db2.gz BEPXJVMDIFBRJT-PWSUYJOCSA-N 2 1 239.388 2.092 20 0 BEADMP C[C@H]1CCC[N@@H+](CCc2cccnc2)[C@H]1CC[NH3+] ZINC000404278380 411387611 /nfs/dbraw/zinc/38/76/11/411387611.db2.gz CFKZIHIIIGFBKE-ZFWWWQNUSA-N 2 1 247.386 2.073 20 0 BEADMP C[C@H]1CCC[N@@H+](CC2CCC2)[C@H]1CC[NH3+] ZINC000404392554 411393329 /nfs/dbraw/zinc/39/33/29/411393329.db2.gz YWNJMKYYKWIFNA-AAEUAGOBSA-N 2 1 210.365 2.236 20 0 BEADMP CC(C)COCC[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404406133 411394236 /nfs/dbraw/zinc/39/42/36/411394236.db2.gz UZLWCNFQDNEXNM-ZIAGYGMSSA-N 2 1 242.407 2.108 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCSC2)[C@@H]1CC[NH3+] ZINC000404492786 411399635 /nfs/dbraw/zinc/39/96/35/411399635.db2.gz CMFFBBHWJIJEJW-FRRDWIJNSA-N 2 1 242.432 2.189 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000070360811 411409478 /nfs/dbraw/zinc/40/94/78/411409478.db2.gz IVHYBZVNJBERCT-QWHCGFSZSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CS1 ZINC000655738195 411444136 /nfs/dbraw/zinc/44/41/36/411444136.db2.gz JJDJDSLKKHHUNQ-DGCLKSJQSA-N 2 1 240.416 2.122 20 0 BEADMP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])c(C)c1 ZINC000415003694 411482581 /nfs/dbraw/zinc/48/25/81/411482581.db2.gz GKHYTSNAFJDDLL-RYUDHWBXSA-N 2 1 206.333 2.129 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CC2(C)C)CC1 ZINC000336723835 169955806 /nfs/dbraw/zinc/95/58/06/169955806.db2.gz AXKINCDIUIDXES-WCQYABFASA-N 2 1 224.392 2.495 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2sccc2C)C1 ZINC000037484199 170008678 /nfs/dbraw/zinc/00/86/78/170008678.db2.gz DJINSBWVKLWPMV-LBPRGKRZSA-N 2 1 238.400 2.488 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCSC)C[C@@H]1C ZINC000336652065 170009168 /nfs/dbraw/zinc/00/91/68/170009168.db2.gz WGKPKGOZMWTXRM-NWDGAFQWSA-N 2 1 230.421 2.154 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCSC)C[C@@H]1C ZINC000336652065 170009170 /nfs/dbraw/zinc/00/91/70/170009170.db2.gz WGKPKGOZMWTXRM-NWDGAFQWSA-N 2 1 230.421 2.154 20 0 BEADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C)ccn2)C1 ZINC000285592667 170010410 /nfs/dbraw/zinc/01/04/10/170010410.db2.gz JHASWGZVNOYRCJ-KGLIPLIRSA-N 2 1 247.386 2.382 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C)ccn2)C1 ZINC000285592667 170010412 /nfs/dbraw/zinc/01/04/12/170010412.db2.gz JHASWGZVNOYRCJ-KGLIPLIRSA-N 2 1 247.386 2.382 20 0 BEADMP CC[N@H+]1CC[C@@H](NCc2cnccc2C)[C@@H](C)C1 ZINC000354498460 170011621 /nfs/dbraw/zinc/01/16/21/170011621.db2.gz JPEQTURNMXVFNZ-DZGCQCFKSA-N 2 1 247.386 2.210 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cnccc2C)[C@@H](C)C1 ZINC000354498460 170011623 /nfs/dbraw/zinc/01/16/23/170011623.db2.gz JPEQTURNMXVFNZ-DZGCQCFKSA-N 2 1 247.386 2.210 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCCCC2)C1 ZINC000037484160 170015335 /nfs/dbraw/zinc/01/53/35/170015335.db2.gz TXCWOFAVPNFTLP-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccco2)C1 ZINC000249370395 170016322 /nfs/dbraw/zinc/01/63/22/170016322.db2.gz ASVIUPXATPTTLE-VXGBXAGGSA-N 2 1 222.332 2.272 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccco2)C1 ZINC000249370395 170016324 /nfs/dbraw/zinc/01/63/24/170016324.db2.gz ASVIUPXATPTTLE-VXGBXAGGSA-N 2 1 222.332 2.272 20 0 BEADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccco2)C1 ZINC000037484240 170016493 /nfs/dbraw/zinc/01/64/93/170016493.db2.gz ASVIUPXATPTTLE-NWDGAFQWSA-N 2 1 222.332 2.272 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccco2)C1 ZINC000037484240 170016494 /nfs/dbraw/zinc/01/64/94/170016494.db2.gz ASVIUPXATPTTLE-NWDGAFQWSA-N 2 1 222.332 2.272 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC000037643765 170017200 /nfs/dbraw/zinc/01/72/00/170017200.db2.gz MLTRXASPVGIIQH-CYBMUJFWSA-N 2 1 236.334 2.257 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCSC2)[C@@H](C)C1 ZINC000336779019 170020562 /nfs/dbraw/zinc/02/05/62/170020562.db2.gz MZGUFMJUXDOLFG-XQQFMLRXSA-N 2 1 242.432 2.059 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)[C@H](C)C1 ZINC000336778104 170021773 /nfs/dbraw/zinc/02/17/73/170021773.db2.gz KIXGLWUAOLWXGN-LPWJVIDDSA-N 2 1 228.355 2.197 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CSC)[C@H](C)C1 ZINC000336759665 170023000 /nfs/dbraw/zinc/02/30/00/170023000.db2.gz KYOSYHILFYPIDC-UTUOFQBUSA-N 2 1 230.421 2.058 20 0 BEADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]CC2CC2)cc1 ZINC000414899710 411564468 /nfs/dbraw/zinc/56/44/68/411564468.db2.gz VDBUZAPBHQIWFX-GJZGRUSLSA-N 2 1 248.345 2.271 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000657656155 411571637 /nfs/dbraw/zinc/57/16/37/411571637.db2.gz MIFHQDFYQDIGIC-DYEKYZERSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CC1 ZINC000663346266 411634246 /nfs/dbraw/zinc/63/42/46/411634246.db2.gz RUJBOCFBQVTNAD-TZMCWYRMSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1[nH+]cn(Cc2cccc3c2CC[NH2+]C3)c1C ZINC000663379585 411642858 /nfs/dbraw/zinc/64/28/58/411642858.db2.gz NCHLMJYSDXUDCC-UHFFFAOYSA-N 2 1 241.338 2.194 20 0 BEADMP C1C[C@@H]2[C@H](C1)[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657734112 411587727 /nfs/dbraw/zinc/58/77/27/411587727.db2.gz FNPDESKYLFJAOM-YHQUGGNUSA-N 2 1 220.360 2.001 20 0 BEADMP c1coc(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000657781642 411597261 /nfs/dbraw/zinc/59/72/61/411597261.db2.gz FOAJYVQJXKACJN-UONOGXRCSA-N 2 1 248.370 2.429 20 0 BEADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@@H]1CCCOC1 ZINC000657793490 411598773 /nfs/dbraw/zinc/59/87/73/411598773.db2.gz VQMLYINSVPMAAJ-ZDUSSCGKSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@@H]1CCCOC1 ZINC000657793490 411598775 /nfs/dbraw/zinc/59/87/75/411598775.db2.gz VQMLYINSVPMAAJ-ZDUSSCGKSA-N 2 1 242.407 2.123 20 0 BEADMP C[N@H+]1CC[C@]2(CC[NH+](CCC3CCC3)C2)C1 ZINC000660616331 411608344 /nfs/dbraw/zinc/60/83/44/411608344.db2.gz JWEFADYYSQOHJG-AWEZNQCLSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@H+](CCC3CCC3)C2)C1 ZINC000660616331 411608347 /nfs/dbraw/zinc/60/83/47/411608347.db2.gz JWEFADYYSQOHJG-AWEZNQCLSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@@H+](CCC3CCC3)C2)C1 ZINC000660616331 411608350 /nfs/dbraw/zinc/60/83/50/411608350.db2.gz JWEFADYYSQOHJG-AWEZNQCLSA-N 2 1 222.376 2.204 20 0 BEADMP COC1([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)CCC1 ZINC000657829873 411609096 /nfs/dbraw/zinc/60/90/96/411609096.db2.gz ATTJOQAHOZGALA-ZDUSSCGKSA-N 2 1 242.407 2.264 20 0 BEADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(F)cc1F ZINC000663498485 411682499 /nfs/dbraw/zinc/68/24/99/411682499.db2.gz NJBKHHDIQRGOBW-CYBMUJFWSA-N 2 1 242.313 2.428 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000663508472 411689685 /nfs/dbraw/zinc/68/96/85/411689685.db2.gz APVHNICAHOXLMM-NEPJUHHUSA-N 2 1 238.350 2.344 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+]C[C@H](C)CCc1ccccc1 ZINC000663510013 411693152 /nfs/dbraw/zinc/69/31/52/411693152.db2.gz NRQSUPVOZHSFNO-KGLIPLIRSA-N 2 1 234.387 2.453 20 0 BEADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@@H]2CC2(C)C)CC[NH2+]1 ZINC000663513119 411694306 /nfs/dbraw/zinc/69/43/06/411694306.db2.gz ILZBCPUDLDCFSU-AGIUHOORSA-N 2 1 224.392 2.352 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)CCc1ccccc1F ZINC000663514923 411696975 /nfs/dbraw/zinc/69/69/75/411696975.db2.gz WDTHGPBXHOZQIX-NEPJUHHUSA-N 2 1 238.350 2.344 20 0 BEADMP Cc1nc(NCC[C@@H](C)[NH+](C)C)c(C)c(C)[nH+]1 ZINC000664244306 411897576 /nfs/dbraw/zinc/89/75/76/411897576.db2.gz QZGCPTLINWVSFK-SECBINFHSA-N 2 1 236.363 2.154 20 0 BEADMP C[C@H](CC[N@H+]1CC[C@@H]2C[C@@H]2C1)[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000661970399 411927110 /nfs/dbraw/zinc/92/71/10/411927110.db2.gz LFXKSGXKZNGCPF-OXGONZEZSA-N 2 1 248.414 2.449 20 0 BEADMP C[C@H](CC[NH+]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661970399 411927116 /nfs/dbraw/zinc/92/71/16/411927116.db2.gz LFXKSGXKZNGCPF-OXGONZEZSA-N 2 1 248.414 2.449 20 0 BEADMP C[C@H](CC[NH+]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661970399 411927119 /nfs/dbraw/zinc/92/71/19/411927119.db2.gz LFXKSGXKZNGCPF-OXGONZEZSA-N 2 1 248.414 2.449 20 0 BEADMP C(CC1CCC1)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662265817 412059071 /nfs/dbraw/zinc/05/90/71/412059071.db2.gz IYZJPGPGMXYIET-CQSZACIVSA-N 2 1 222.376 2.252 20 0 BEADMP CO[C@H](C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+])C1CCC1 ZINC000662236387 412034526 /nfs/dbraw/zinc/03/45/26/412034526.db2.gz XCHSBDKAPOXROO-KWCYVHTRSA-N 2 1 240.391 2.003 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC=C(C)C)C1 ZINC000662238830 412034937 /nfs/dbraw/zinc/03/49/37/412034937.db2.gz XXMJTTROLVDWET-CYBMUJFWSA-N 2 1 210.365 2.274 20 0 BEADMP CC1(C)CCCC[C@@H]1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000662241262 412036922 /nfs/dbraw/zinc/03/69/22/412036922.db2.gz RKSPBIZNHRNFOA-VXGBXAGGSA-N 2 1 210.365 2.236 20 0 BEADMP CC1(C)CCCC[C@@H]1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000662241262 412036927 /nfs/dbraw/zinc/03/69/27/412036927.db2.gz RKSPBIZNHRNFOA-VXGBXAGGSA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@@H](CC(F)F)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000662244108 412039456 /nfs/dbraw/zinc/03/94/56/412039456.db2.gz BUEQYIWFVWSILS-WDEREUQCSA-N 2 1 234.334 2.209 20 0 BEADMP C[N@@H+](CCC[NH3+])CCc1nsc2ccccc21 ZINC000662245662 412041979 /nfs/dbraw/zinc/04/19/79/412041979.db2.gz NVCQSELGFRJETO-UHFFFAOYSA-N 2 1 249.383 2.119 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662248012 412045889 /nfs/dbraw/zinc/04/58/89/412045889.db2.gz QWTGXOVNRDPFHI-CRWXNKLISA-N 2 1 224.392 2.338 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000662263449 412056093 /nfs/dbraw/zinc/05/60/93/412056093.db2.gz BHSBLUQHHPYEKX-HBNTYKKESA-N 2 1 234.334 2.337 20 0 BEADMP C(CC1CCC1)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000662265813 412057897 /nfs/dbraw/zinc/05/78/97/412057897.db2.gz IYZJPGPGMXYIET-AWEZNQCLSA-N 2 1 222.376 2.252 20 0 BEADMP CC[C@@H]1CC[C@H](C)[N@H+]1CC1CC[NH2+]CC1 ZINC000136185165 171053467 /nfs/dbraw/zinc/05/34/67/171053467.db2.gz CZYLIZODMZHZAZ-WCQYABFASA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000308937991 171058603 /nfs/dbraw/zinc/05/86/03/171058603.db2.gz LKKPIDGUGLGYST-YNEHKIRRSA-N 2 1 210.365 2.106 20 0 BEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC000662271444 412062494 /nfs/dbraw/zinc/06/24/94/412062494.db2.gz GWDOYZVKHRCQBS-LLVKDONJSA-N 2 1 249.358 2.113 20 0 BEADMP CC[C@@H]1C[N@@H+](CC2CC=CC2)CC[C@@H]1[NH3+] ZINC000662270851 412063217 /nfs/dbraw/zinc/06/32/17/412063217.db2.gz PZZXQZTUMOPXIU-OLZOCXBDSA-N 2 1 208.349 2.012 20 0 BEADMP CO[C@H](C[N@H+]1CCCC[C@H]1CC[NH3+])C1CCC1 ZINC000662272588 412063953 /nfs/dbraw/zinc/06/39/53/412063953.db2.gz GVECBOWEVMPQIZ-UONOGXRCSA-N 2 1 240.391 2.005 20 0 BEADMP CC(C)=CCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000662272779 412065833 /nfs/dbraw/zinc/06/58/33/412065833.db2.gz POBGOYJCNKEADM-CYBMUJFWSA-N 2 1 210.365 2.404 20 0 BEADMP C1=CCC(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000662276495 412069758 /nfs/dbraw/zinc/06/97/58/412069758.db2.gz NMMNFJQUMUFXIO-HUUCEWRRSA-N 2 1 234.387 2.417 20 0 BEADMP C[C@@H]1CC2(C[N@H+]1CC1CC=CC1)CC[NH2+]CC2 ZINC000662284157 412075029 /nfs/dbraw/zinc/07/50/29/412075029.db2.gz UCZNMXIHDNUVPW-CYBMUJFWSA-N 2 1 234.387 2.417 20 0 BEADMP CC[C@H](C)C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000037173371 171272360 /nfs/dbraw/zinc/27/23/60/171272360.db2.gz KDMKVQKIAHBUEY-LBPRGKRZSA-N 2 1 212.381 2.354 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000336686541 171281196 /nfs/dbraw/zinc/28/11/96/171281196.db2.gz WNVIOSPCKKQOTF-MJBXVCDLSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@H](C)C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000336686541 171281198 /nfs/dbraw/zinc/28/11/98/171281198.db2.gz WNVIOSPCKKQOTF-MJBXVCDLSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@H](C)C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000336686541 171281200 /nfs/dbraw/zinc/28/12/00/171281200.db2.gz WNVIOSPCKKQOTF-MJBXVCDLSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335619802 171282523 /nfs/dbraw/zinc/28/25/23/171282523.db2.gz NASYOPGEMZCVST-STQMWFEESA-N 2 1 210.365 2.108 20 0 BEADMP CC[C@H](C)C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000309220311 171287534 /nfs/dbraw/zinc/28/75/34/171287534.db2.gz VDABTMBQWNUWGD-AVGNSLFASA-N 2 1 212.381 2.352 20 0 BEADMP CO[C@H](C[N@H+](C)CC(C)(C)[NH3+])C1CCCCC1 ZINC000662296139 412084511 /nfs/dbraw/zinc/08/45/11/412084511.db2.gz WIDPYKIRMZDOFI-CYBMUJFWSA-N 2 1 242.407 2.251 20 0 BEADMP CO[C@H](C[N@@H+](C)CC(C)(C)[NH3+])C1CCCCC1 ZINC000662296139 412084515 /nfs/dbraw/zinc/08/45/15/412084515.db2.gz WIDPYKIRMZDOFI-CYBMUJFWSA-N 2 1 242.407 2.251 20 0 BEADMP CC[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000164666843 171340325 /nfs/dbraw/zinc/34/03/25/171340325.db2.gz WKFVIPSXGADKHY-NSHDSACASA-N 2 1 209.337 2.360 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC2CC1(C)C2 ZINC000662385113 412137805 /nfs/dbraw/zinc/13/78/05/412137805.db2.gz JSCYZFVVDAYOBR-UHFFFAOYSA-N 2 1 233.359 2.456 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC2CC1(C)C2 ZINC000662385113 412137809 /nfs/dbraw/zinc/13/78/09/412137809.db2.gz JSCYZFVVDAYOBR-UHFFFAOYSA-N 2 1 233.359 2.456 20 0 BEADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037485310 171389057 /nfs/dbraw/zinc/38/90/57/171389057.db2.gz OZWIZDBLMKUSEG-AVGNSLFASA-N 2 1 224.392 2.495 20 0 BEADMP [NH3+]CC12CC(C1)C[N@@H+]2CCCc1ccccc1 ZINC000662308566 412092990 /nfs/dbraw/zinc/09/29/90/412092990.db2.gz WWTLNSBMNXYGCG-UHFFFAOYSA-N 2 1 230.355 2.042 20 0 BEADMP [NH3+]CC12CC(C1)C[N@H+]2CCCc1ccccc1 ZINC000662308566 412092991 /nfs/dbraw/zinc/09/29/91/412092991.db2.gz WWTLNSBMNXYGCG-UHFFFAOYSA-N 2 1 230.355 2.042 20 0 BEADMP c1cc2c(cc1C[N@H+]1CC[C@@H]3C[C@@H]3C1)C[NH2+]CC2 ZINC000662316000 412095937 /nfs/dbraw/zinc/09/59/37/412095937.db2.gz TZIIWYGXEYOSEH-GDBMZVCRSA-N 2 1 242.366 2.174 20 0 BEADMP C[C@@H]1CCC[N@@H+](Cc2cccnc2)[C@@H]1CCC[NH3+] ZINC000662315711 412096845 /nfs/dbraw/zinc/09/68/45/412096845.db2.gz UWZYADQJWKELSJ-UKRRQHHQSA-N 2 1 247.386 2.421 20 0 BEADMP CCC[C@@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322714 412101584 /nfs/dbraw/zinc/10/15/84/412101584.db2.gz ILIBASPUKWGJOT-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP CCC[C@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322518 412101612 /nfs/dbraw/zinc/10/16/12/412101612.db2.gz ILIBASPUKWGJOT-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CC2CCCCCC2)CCO1 ZINC000132597922 412121743 /nfs/dbraw/zinc/12/17/43/412121743.db2.gz BMRUAPHXVLFIOS-OCCSQVGLSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CC2CCCCCC2)CCO1 ZINC000132597922 412121747 /nfs/dbraw/zinc/12/17/47/412121747.db2.gz BMRUAPHXVLFIOS-OCCSQVGLSA-N 2 1 240.391 2.005 20 0 BEADMP Cc1ccncc1CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000665239774 412181358 /nfs/dbraw/zinc/18/13/58/412181358.db2.gz YYFJFYOZMIICTA-ZFWWWQNUSA-N 2 1 247.386 2.053 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)[C@H]1CCCC[NH2+]1 ZINC000665274071 412214925 /nfs/dbraw/zinc/21/49/25/412214925.db2.gz JGGNYLPYFMQJDO-MXWKQRLJSA-N 2 1 246.345 2.398 20 0 BEADMP Cc1ncc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)s1 ZINC000665248182 412192850 /nfs/dbraw/zinc/19/28/50/412192850.db2.gz RAJBJZBSEVMHKE-SECBINFHSA-N 2 1 239.388 2.374 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)[C@@H]1CCC[NH2+]1 ZINC000665273735 412215339 /nfs/dbraw/zinc/21/53/39/412215339.db2.gz CKQMDMNMGXRJTR-LPEHRKFASA-N 2 1 232.318 2.008 20 0 BEADMP CC[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)[C@@H]1CCC[NH2+]1 ZINC000665265154 412208825 /nfs/dbraw/zinc/20/88/25/412208825.db2.gz QMOFDRFKQHZLGT-MQYQWHSLSA-N 2 1 240.391 2.064 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)[C@@H]1CCC[NH2+]1 ZINC000665265155 412209062 /nfs/dbraw/zinc/20/90/62/412209062.db2.gz QMOFDRFKQHZLGT-RFGFWPKPSA-N 2 1 240.391 2.064 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000665267072 412210791 /nfs/dbraw/zinc/21/07/91/412210791.db2.gz PDOSMWTVOUIZSH-VWYCJHECSA-N 2 1 232.318 2.009 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC1CCC1 ZINC000665267308 412210919 /nfs/dbraw/zinc/21/09/19/412210919.db2.gz UJWOVXNDOWIGDG-YPMHNXCESA-N 2 1 210.365 2.154 20 0 BEADMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1ccccn1 ZINC000665232053 412170717 /nfs/dbraw/zinc/17/07/17/412170717.db2.gz FCPINYRHYBEMNR-KCQAQPDRSA-N 2 1 247.386 2.305 20 0 BEADMP Cc1cccc2c1CC[C@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277035 412219359 /nfs/dbraw/zinc/21/93/59/412219359.db2.gz RLHUIWYUZAYQKS-DSSZZKGTSA-N 2 1 242.366 2.324 20 0 BEADMP Cc1ccccc1[C@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665276960 412219457 /nfs/dbraw/zinc/21/94/57/412219457.db2.gz QDBQPZDZQGXSHK-OPFPJEHXSA-N 2 1 230.355 2.398 20 0 BEADMP CC[C@H](Cc1cccs1)[NH2+][C@H](C)C[NH2+]C ZINC000665295510 412242425 /nfs/dbraw/zinc/24/24/25/412242425.db2.gz FJOJHIRSAXOBDH-GHMZBOCLSA-N 2 1 226.389 2.267 20 0 BEADMP CCCC[C@H](C)[C@@H](C)[NH2+][C@H](C)C[NH2+]C ZINC000665298324 412246162 /nfs/dbraw/zinc/24/61/62/412246162.db2.gz UWDGMWCUQCGJMZ-QJPTWQEYSA-N 2 1 200.370 2.399 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000665298171 412246480 /nfs/dbraw/zinc/24/64/80/412246480.db2.gz TTYKYUPHKOJQDA-NEBZKDRISA-N 2 1 232.371 2.376 20 0 BEADMP Cn1cccc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000336068395 173002820 /nfs/dbraw/zinc/00/28/20/173002820.db2.gz CTDSABNPCUOCMX-UHFFFAOYSA-N 2 1 247.386 2.085 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccs2)CC1 ZINC000076673902 173020634 /nfs/dbraw/zinc/02/06/34/173020634.db2.gz AQGMTOYRBVOPJC-LLVKDONJSA-N 2 1 224.373 2.322 20 0 BEADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3CCC3)CC[C@H]21 ZINC000336585048 173035684 /nfs/dbraw/zinc/03/56/84/173035684.db2.gz BIGZDHSREYJGTI-ZIAGYGMSSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3CCC3)CC[C@H]21 ZINC000336585048 173035685 /nfs/dbraw/zinc/03/56/85/173035685.db2.gz BIGZDHSREYJGTI-ZIAGYGMSSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3CCC3)CC[C@H]21 ZINC000336585048 173035687 /nfs/dbraw/zinc/03/56/87/173035687.db2.gz BIGZDHSREYJGTI-ZIAGYGMSSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC000044534710 173041240 /nfs/dbraw/zinc/04/12/40/173041240.db2.gz VGXXQNXKFBSYFR-GFCCVEGCSA-N 2 1 236.334 2.257 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC000044534710 173041241 /nfs/dbraw/zinc/04/12/41/173041241.db2.gz VGXXQNXKFBSYFR-GFCCVEGCSA-N 2 1 236.334 2.257 20 0 BEADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccco3)CC[C@@H]21 ZINC000092043242 173060007 /nfs/dbraw/zinc/06/00/07/173060007.db2.gz DBDLLVZVCYAHMO-JSGCOSHPSA-N 2 1 234.343 2.196 20 0 BEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccco3)CC[C@@H]21 ZINC000092043242 173060010 /nfs/dbraw/zinc/06/00/10/173060010.db2.gz DBDLLVZVCYAHMO-JSGCOSHPSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccco3)CC[C@@H]21 ZINC000092043242 173060012 /nfs/dbraw/zinc/06/00/12/173060012.db2.gz DBDLLVZVCYAHMO-JSGCOSHPSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccco3)CC[C@@H]21 ZINC000092043242 173060013 /nfs/dbraw/zinc/06/00/13/173060013.db2.gz DBDLLVZVCYAHMO-JSGCOSHPSA-N 2 1 234.343 2.196 20 0 BEADMP C[N@H+]1CCC[C@H]2C[NH+](C3CCCC3)CC[C@@H]21 ZINC000120117495 173060495 /nfs/dbraw/zinc/06/04/95/173060495.db2.gz PYGVYQQLMWTVOK-JSGCOSHPSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@@H+](C3CCCC3)CC[C@@H]21 ZINC000120117495 173060496 /nfs/dbraw/zinc/06/04/96/173060496.db2.gz PYGVYQQLMWTVOK-JSGCOSHPSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@H+](C3CCCC3)CC[C@@H]21 ZINC000120117495 173060499 /nfs/dbraw/zinc/06/04/99/173060499.db2.gz PYGVYQQLMWTVOK-JSGCOSHPSA-N 2 1 222.376 2.345 20 0 BEADMP C[N@@H+]1CC[C@@H]2CC[NH+](CCC(C)(C)C)[C@@H]2C1 ZINC000336625818 173130811 /nfs/dbraw/zinc/13/08/11/173130811.db2.gz FMJHCCSNMZPOIS-CHWSQXEVSA-N 2 1 224.392 2.449 20 0 BEADMP C[N@H+]1CC[C@@H]2CC[NH+](CCC(C)(C)C)[C@@H]2C1 ZINC000336625818 173130813 /nfs/dbraw/zinc/13/08/13/173130813.db2.gz FMJHCCSNMZPOIS-CHWSQXEVSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2CC[N@H+](CCC(C)(C)C)[C@@H]2C1 ZINC000336625818 173130816 /nfs/dbraw/zinc/13/08/16/173130816.db2.gz FMJHCCSNMZPOIS-CHWSQXEVSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2CC[N@@H+](CCC(C)(C)C)[C@@H]2C1 ZINC000336625818 173130817 /nfs/dbraw/zinc/13/08/17/173130817.db2.gz FMJHCCSNMZPOIS-CHWSQXEVSA-N 2 1 224.392 2.449 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCCCF)[C@@H]2CCC[C@H]21 ZINC000336763904 173152266 /nfs/dbraw/zinc/15/22/66/173152266.db2.gz MQQDKERDGRPLFF-RWMBFGLXSA-N 2 1 228.355 2.199 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccco2)[C@H]2CCC[C@H]21 ZINC000367619977 173152384 /nfs/dbraw/zinc/15/23/84/173152384.db2.gz XMQUOFYVMVJZKM-HZSPNIEDSA-N 2 1 234.343 2.242 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccco2)[C@H]2CCC[C@@H]21 ZINC000353432130 173153403 /nfs/dbraw/zinc/15/34/03/173153403.db2.gz AQNCMAZFNAOPQE-ILXRZTDVSA-N 2 1 248.370 2.285 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2F)[C@H]2CCC[C@@H]21 ZINC000340525606 173154102 /nfs/dbraw/zinc/15/41/02/173154102.db2.gz WVMNOXKPDVJCNZ-HTOAHKCRSA-N 2 1 240.366 2.339 20 0 BEADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccco2)C1 ZINC000290372141 173163331 /nfs/dbraw/zinc/16/33/31/173163331.db2.gz HMYDIICSMWIZDL-OCCSQVGLSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccco2)C1 ZINC000290372141 173163332 /nfs/dbraw/zinc/16/33/32/173163332.db2.gz HMYDIICSMWIZDL-OCCSQVGLSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccco2)C1 ZINC000290372141 173163335 /nfs/dbraw/zinc/16/33/35/173163335.db2.gz HMYDIICSMWIZDL-OCCSQVGLSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH2+]C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000070498123 173323133 /nfs/dbraw/zinc/32/31/33/173323133.db2.gz MAWKTTOISPAUBG-UHFFFAOYSA-N 2 1 244.382 2.359 20 0 BEADMP C[NH2+]CCC[N@H+](C)Cc1cnc2ccccc2c1 ZINC000302336645 173346276 /nfs/dbraw/zinc/34/62/76/173346276.db2.gz UDEIIKICAUPDGJ-UHFFFAOYSA-N 2 1 243.354 2.276 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1cnc2ccccc2c1 ZINC000302336645 173346277 /nfs/dbraw/zinc/34/62/77/173346277.db2.gz UDEIIKICAUPDGJ-UHFFFAOYSA-N 2 1 243.354 2.276 20 0 BEADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1ccc(OC)cc1 ZINC000124777145 173346327 /nfs/dbraw/zinc/34/63/27/173346327.db2.gz DNPQAZSOXVYNGK-LBPRGKRZSA-N 2 1 236.359 2.298 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000011888707 173367830 /nfs/dbraw/zinc/36/78/30/173367830.db2.gz KZVNEWWBHPNHBO-ZDUSSCGKSA-N 2 1 236.334 2.257 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000011888707 173367832 /nfs/dbraw/zinc/36/78/32/173367832.db2.gz KZVNEWWBHPNHBO-ZDUSSCGKSA-N 2 1 236.334 2.257 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC000071142632 173370293 /nfs/dbraw/zinc/37/02/93/173370293.db2.gz XEUIYDIGGZWCKR-AWEZNQCLSA-N 2 1 232.371 2.345 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@H](C)C2)C1 ZINC000251672424 173371088 /nfs/dbraw/zinc/37/10/88/173371088.db2.gz GNDJYIUWQFTCNE-IHRRRGAJSA-N 2 1 224.392 2.354 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C)s2)C1 ZINC000040591682 173378470 /nfs/dbraw/zinc/37/84/70/173378470.db2.gz HGWQFXDDFBRTCP-GFCCVEGCSA-N 2 1 238.400 2.488 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H](C)CC(C)C ZINC000300967070 173379631 /nfs/dbraw/zinc/37/96/31/173379631.db2.gz RPZLXPUGISVTFU-CHWSQXEVSA-N 2 1 212.381 2.352 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000336578216 173381422 /nfs/dbraw/zinc/38/14/22/173381422.db2.gz XWAMORDMIVXZQN-ABAIWWIYSA-N 2 1 248.345 2.354 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(C)c(F)c2)C1 ZINC000110978841 173381507 /nfs/dbraw/zinc/38/15/07/173381507.db2.gz IENGSFPAFNKZKS-CYBMUJFWSA-N 2 1 236.334 2.175 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C)c(F)c2)C1 ZINC000110978841 173381508 /nfs/dbraw/zinc/38/15/08/173381508.db2.gz IENGSFPAFNKZKS-CYBMUJFWSA-N 2 1 236.334 2.175 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OC)c(C)c2)C1 ZINC000071142502 173381580 /nfs/dbraw/zinc/38/15/80/173381580.db2.gz JPTRKFDCWTXOIS-CQSZACIVSA-N 2 1 248.370 2.045 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2coc3ccccc23)C1 ZINC000131033155 173381919 /nfs/dbraw/zinc/38/19/19/173381919.db2.gz HPFWIPDSJIIIHT-GFCCVEGCSA-N 2 1 244.338 2.474 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC000300965181 173382131 /nfs/dbraw/zinc/38/21/31/173382131.db2.gz RLIJABTYJGVGLW-CHWSQXEVSA-N 2 1 212.381 2.210 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000071142562 173382305 /nfs/dbraw/zinc/38/23/05/173382305.db2.gz GCKDVGNWRPGYLR-ZIAGYGMSSA-N 2 1 232.371 2.331 20 0 BEADMP COC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1 ZINC000336655249 174004484 /nfs/dbraw/zinc/00/44/84/174004484.db2.gz JCVRGXFDFNAUSM-OLZOCXBDSA-N 2 1 240.391 2.018 20 0 BEADMP COCCCCC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352496517 174178241 /nfs/dbraw/zinc/17/82/41/174178241.db2.gz WWYNKQLWEPMRGG-ZDUSSCGKSA-N 2 1 228.380 2.006 20 0 BEADMP COCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340179965 174339250 /nfs/dbraw/zinc/33/92/50/174339250.db2.gz ZSZVWMSKYUHTIH-CABCVRRESA-N 2 1 248.370 2.058 20 0 BEADMP COCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340179965 174339252 /nfs/dbraw/zinc/33/92/52/174339252.db2.gz ZSZVWMSKYUHTIH-CABCVRRESA-N 2 1 248.370 2.058 20 0 BEADMP COCC[C@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000045018804 174406197 /nfs/dbraw/zinc/40/61/97/174406197.db2.gz QWBSQIVIWAPXEK-KBPBESRZSA-N 2 1 242.407 2.121 20 0 BEADMP COc1ccc(C)cc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044530035 175074430 /nfs/dbraw/zinc/07/44/30/175074430.db2.gz IYAXYRIEBWOIBS-CYBMUJFWSA-N 2 1 248.370 2.174 20 0 BEADMP COc1ccc(C)cc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000163209928 175074537 /nfs/dbraw/zinc/07/45/37/175074537.db2.gz ZKKNUYLSCFVGML-CHWSQXEVSA-N 2 1 248.370 2.173 20 0 BEADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[NH+](C)C)CC2 ZINC000092835426 175214718 /nfs/dbraw/zinc/21/47/18/175214718.db2.gz LOUDYCLTNFKICN-HNNXBMFYSA-N 2 1 248.370 2.224 20 0 BEADMP COc1ccc2cc([C@H](C)[NH2+]CC[NH3+])ccc2c1 ZINC000037712598 175225158 /nfs/dbraw/zinc/22/51/58/175225158.db2.gz PMNWHCPQOTYZHQ-NSHDSACASA-N 2 1 244.338 2.458 20 0 BEADMP COc1cccc([C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000227056241 175292255 /nfs/dbraw/zinc/29/22/55/175292255.db2.gz VKZRCAVKEOWNQG-SLEUVZQESA-N 2 1 248.370 2.425 20 0 BEADMP COc1cccc([C@H](C)[NH2+]CC2([NH3+])CCC2)c1 ZINC000342125504 175292312 /nfs/dbraw/zinc/29/23/12/175292312.db2.gz IWXWADPGSGIJQN-NSHDSACASA-N 2 1 234.343 2.227 20 0 BEADMP COc1cccc([C@H](C)[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000163200163 175292319 /nfs/dbraw/zinc/29/23/19/175292319.db2.gz HLUMIFWZKIFFGL-DYEKYZERSA-N 2 1 248.370 2.425 20 0 BEADMP COc1ccccc1C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000042442371 175325024 /nfs/dbraw/zinc/32/50/24/175325024.db2.gz SITBAJHKRMHPQP-ZDUSSCGKSA-N 2 1 248.370 2.127 20 0 BEADMP COc1ccccc1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000042442371 175325027 /nfs/dbraw/zinc/32/50/27/175325027.db2.gz SITBAJHKRMHPQP-ZDUSSCGKSA-N 2 1 248.370 2.127 20 0 BEADMP COc1ccccc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000049708128 175327708 /nfs/dbraw/zinc/32/77/08/175327708.db2.gz OTRVHPZESPHBNN-AAEUAGOBSA-N 2 1 234.343 2.007 20 0 BEADMP COc1ccccc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000049708128 175327711 /nfs/dbraw/zinc/32/77/11/175327711.db2.gz OTRVHPZESPHBNN-AAEUAGOBSA-N 2 1 234.343 2.007 20 0 BEADMP COc1ccccc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000113655513 175328326 /nfs/dbraw/zinc/32/83/26/175328326.db2.gz KWZVMWUXGYEKGM-QWHCGFSZSA-N 2 1 248.370 2.254 20 0 BEADMP COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000132004757 175352157 /nfs/dbraw/zinc/35/21/57/175352157.db2.gz ALKKSQUCKUJSKD-STQMWFEESA-N 2 1 248.370 2.345 20 0 BEADMP C[C@@H](c1ccc(F)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107579516 176015049 /nfs/dbraw/zinc/01/50/49/176015049.db2.gz RNZFBYADBQUSHV-WCFLWFBJSA-N 2 1 234.318 2.038 20 0 BEADMP C[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107579516 176015051 /nfs/dbraw/zinc/01/50/51/176015051.db2.gz RNZFBYADBQUSHV-WCFLWFBJSA-N 2 1 234.318 2.038 20 0 BEADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000114410053 176021288 /nfs/dbraw/zinc/02/12/88/176021288.db2.gz NVTLGACRAYICGY-STQMWFEESA-N 2 1 218.344 2.418 20 0 BEADMP C[C@@H](c1ccccc1F)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000049530940 176025291 /nfs/dbraw/zinc/02/52/91/176025291.db2.gz DCZNYNSJWHXWJD-WDEREUQCSA-N 2 1 222.307 2.167 20 0 BEADMP C[C@@H](c1ccccn1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336275857 176027394 /nfs/dbraw/zinc/02/73/94/176027394.db2.gz PZHGKCPEXVZAKB-ZFWWWQNUSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@@H](c1ccccn1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336275857 176027397 /nfs/dbraw/zinc/02/73/97/176027397.db2.gz PZHGKCPEXVZAKB-ZFWWWQNUSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@@H](c1ccccn1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336275857 176027399 /nfs/dbraw/zinc/02/73/99/176027399.db2.gz PZHGKCPEXVZAKB-ZFWWWQNUSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@@H](c1ccccn1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336275857 176027401 /nfs/dbraw/zinc/02/74/01/176027401.db2.gz PZHGKCPEXVZAKB-ZFWWWQNUSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@@H](c1ccccn1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336275854 176027584 /nfs/dbraw/zinc/02/75/84/176027584.db2.gz PZHGKCPEXVZAKB-DZGCQCFKSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@@H](c1ccccn1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336275854 176027586 /nfs/dbraw/zinc/02/75/86/176027586.db2.gz PZHGKCPEXVZAKB-DZGCQCFKSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@@H](c1ccccn1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336275854 176027588 /nfs/dbraw/zinc/02/75/88/176027588.db2.gz PZHGKCPEXVZAKB-DZGCQCFKSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@@H](c1ccccn1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336275854 176027589 /nfs/dbraw/zinc/02/75/89/176027589.db2.gz PZHGKCPEXVZAKB-DZGCQCFKSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163484347 176027982 /nfs/dbraw/zinc/02/79/82/176027982.db2.gz PGNPCXMABTXDFZ-AGIUHOORSA-N 2 1 233.359 2.059 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357045038 176076486 /nfs/dbraw/zinc/07/64/86/176076486.db2.gz HMEVJWXMEMXBFD-TUVASFSCSA-N 2 1 236.403 2.354 20 0 BEADMP C[C@@H]1CCCC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000309820102 176080864 /nfs/dbraw/zinc/08/08/64/176080864.db2.gz WBJZRQZYJNLVIB-YPMHNXCESA-N 2 1 221.348 2.131 20 0 BEADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CC[NH+](C)CC1 ZINC000037248716 176113775 /nfs/dbraw/zinc/11/37/75/176113775.db2.gz CMRQJQJBPUQJQS-VXGBXAGGSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335604331 176130926 /nfs/dbraw/zinc/13/09/26/176130926.db2.gz WYQKMICPHZGGRJ-YPMHNXCESA-N 2 1 208.349 2.027 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](C[NH3+])C2)C1 ZINC000227573899 176137476 /nfs/dbraw/zinc/13/74/76/176137476.db2.gz KXQMSPQWDLBSJD-AGIUHOORSA-N 2 1 210.365 2.093 20 0 BEADMP C[C@H](c1ccccn1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229066915 176180696 /nfs/dbraw/zinc/18/06/96/176180696.db2.gz PGNPCXMABTXDFZ-UPJWGTAASA-N 2 1 233.359 2.059 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000309818102 176218089 /nfs/dbraw/zinc/21/80/89/176218089.db2.gz VSPDERZCMAYJFA-KOLCDFICSA-N 2 1 239.388 2.093 20 0 BEADMP C[C@@H]1CC[C@H]1[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000309749752 176236749 /nfs/dbraw/zinc/23/67/49/176236749.db2.gz GJXIWEMLJXENQK-ZYHUDNBSSA-N 2 1 219.332 2.036 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000358351120 176269424 /nfs/dbraw/zinc/26/94/24/176269424.db2.gz JWINGNHVDHBKRN-TZMCWYRMSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccco1 ZINC000036908627 176278310 /nfs/dbraw/zinc/27/83/10/176278310.db2.gz WUWZQZXYEXMLPH-BZPMIXESSA-N 2 1 236.359 2.140 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC1(C)CC1 ZINC000309767176 176279069 /nfs/dbraw/zinc/27/90/69/176279069.db2.gz JRPIXFPFXLUVHB-JHJVBQTASA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CC1(C)C ZINC000300359328 176279144 /nfs/dbraw/zinc/27/91/44/176279144.db2.gz OHJGLPWHFQIFKO-NDBYEHHHSA-N 2 1 224.392 2.351 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CC1(C)C ZINC000300359325 176281022 /nfs/dbraw/zinc/28/10/22/176281022.db2.gz OHJGLPWHFQIFKO-FDYHWXHSSA-N 2 1 224.392 2.351 20 0 BEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC000335664604 176293136 /nfs/dbraw/zinc/29/31/36/176293136.db2.gz UIYFUXVTSOJEHF-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000229421062 176365993 /nfs/dbraw/zinc/36/59/93/176365993.db2.gz DYOKXNYRPWMRNI-JHJVBQTASA-N 2 1 224.392 2.352 20 0 BEADMP CCCC[C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000383513582 487633654 /nfs/dbraw/zinc/63/36/54/487633654.db2.gz HDZSMWPBCNYFDS-UONOGXRCSA-N 2 1 244.423 2.198 20 0 BEADMP CCCC[C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000383513582 487633656 /nfs/dbraw/zinc/63/36/56/487633656.db2.gz HDZSMWPBCNYFDS-UONOGXRCSA-N 2 1 244.423 2.198 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(F)c1 ZINC000049710182 176371034 /nfs/dbraw/zinc/37/10/34/176371034.db2.gz SKEHZVGUWKIZBC-MFKMUULPSA-N 2 1 222.307 2.137 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(F)c1 ZINC000049710182 176371036 /nfs/dbraw/zinc/37/10/36/176371036.db2.gz SKEHZVGUWKIZBC-MFKMUULPSA-N 2 1 222.307 2.137 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1F ZINC000049708657 176371843 /nfs/dbraw/zinc/37/18/43/176371843.db2.gz OSGWSRKFNGLUGL-PWSUYJOCSA-N 2 1 222.307 2.137 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1F ZINC000049708657 176371844 /nfs/dbraw/zinc/37/18/44/176371844.db2.gz OSGWSRKFNGLUGL-PWSUYJOCSA-N 2 1 222.307 2.137 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC23CCCC3)CC[N@@H+]1C ZINC000309358190 176379017 /nfs/dbraw/zinc/37/90/17/176379017.db2.gz ABFUAJGRVYTCLB-AGIUHOORSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC23CCCC3)CC[N@H+]1C ZINC000309358190 176379019 /nfs/dbraw/zinc/37/90/19/176379019.db2.gz ABFUAJGRVYTCLB-AGIUHOORSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000354178728 176391583 /nfs/dbraw/zinc/39/15/83/176391583.db2.gz XQLVYIOZKBFTPA-MCIONIFRSA-N 2 1 222.376 2.060 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000354178728 176391584 /nfs/dbraw/zinc/39/15/84/176391584.db2.gz XQLVYIOZKBFTPA-MCIONIFRSA-N 2 1 222.376 2.060 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352539482 176391647 /nfs/dbraw/zinc/39/16/47/176391647.db2.gz BCUPORVVHDLWTI-TZMCWYRMSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000309808049 176397075 /nfs/dbraw/zinc/39/70/75/176397075.db2.gz SRHIZQGMSAVSAM-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000309808049 176397077 /nfs/dbraw/zinc/39/70/77/176397077.db2.gz SRHIZQGMSAVSAM-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cncs1 ZINC000132249620 176844618 /nfs/dbraw/zinc/84/46/18/176844618.db2.gz WAYGJWXJUYWSIP-NSHDSACASA-N 2 1 239.388 2.280 20 0 BEADMP C[C@H](c1ccccn1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000094011046 177043001 /nfs/dbraw/zinc/04/30/01/177043001.db2.gz KLJIBVNLPWHNNS-GFCCVEGCSA-N 2 1 233.359 2.074 20 0 BEADMP C[C@H]1CCC[N@@H+]1C[C@H]([NH3+])Cc1ccccc1 ZINC000037911187 177109567 /nfs/dbraw/zinc/10/95/67/177109567.db2.gz VIAYLUFNZZYLGZ-GXTWGEPZSA-N 2 1 218.344 2.041 20 0 BEADMP C[C@H]1CCC[N@H+]1C[C@H]([NH3+])Cc1ccccc1 ZINC000037911187 177109570 /nfs/dbraw/zinc/10/95/70/177109570.db2.gz VIAYLUFNZZYLGZ-GXTWGEPZSA-N 2 1 218.344 2.041 20 0 BEADMP C[C@H]1CCC[C@@H](CC[N@@H+]2CC[C@H]([NH3+])C2)C1 ZINC000070559898 177118593 /nfs/dbraw/zinc/11/85/93/177118593.db2.gz HCRQXGXLRVFCLG-AVGNSLFASA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]1CCC[C@@H](CC[N@H+]2CC[C@H]([NH3+])C2)C1 ZINC000070559898 177118594 /nfs/dbraw/zinc/11/85/94/177118594.db2.gz HCRQXGXLRVFCLG-AVGNSLFASA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]1CCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335604329 177141971 /nfs/dbraw/zinc/14/19/71/177141971.db2.gz WYQKMICPHZGGRJ-WCQYABFASA-N 2 1 208.349 2.027 20 0 BEADMP C[C@H]1CC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000335550949 177207330 /nfs/dbraw/zinc/20/73/30/177207330.db2.gz UKFQQRMNMRNFFE-GXFFZTMASA-N 2 1 208.349 2.001 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC1(C)CC1 ZINC000336763770 177233707 /nfs/dbraw/zinc/23/37/07/177233707.db2.gz PNIBBQFTASDSIT-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000336595677 177234273 /nfs/dbraw/zinc/23/42/73/177234273.db2.gz BLXUPCZIAPGCEI-CMPLNLGQSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000336595677 177234274 /nfs/dbraw/zinc/23/42/74/177234274.db2.gz BLXUPCZIAPGCEI-CMPLNLGQSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@@H]1[C@@H](C)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000339583052 177249271 /nfs/dbraw/zinc/24/92/71/177249271.db2.gz RDMCLDLQNBUMSV-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1[C@@H](C)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000339583052 177249273 /nfs/dbraw/zinc/24/92/73/177249273.db2.gz RDMCLDLQNBUMSV-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H]1C[N@H+](CCCCOc2ccccc2)C[C@@H]1[NH3+] ZINC000340680282 177249641 /nfs/dbraw/zinc/24/96/41/177249641.db2.gz PAAWNJFCOBLONS-ZFWWWQNUSA-N 2 1 248.370 2.125 20 0 BEADMP C[C@H]1C[N@@H+](CCCCOc2ccccc2)C[C@@H]1[NH3+] ZINC000340680282 177249642 /nfs/dbraw/zinc/24/96/42/177249642.db2.gz PAAWNJFCOBLONS-ZFWWWQNUSA-N 2 1 248.370 2.125 20 0 BEADMP C[C@H]1C[C@@H]([NH+](C)CCc2cccnc2)CC[N@@H+]1C ZINC000172844217 177327742 /nfs/dbraw/zinc/32/77/42/177327742.db2.gz RQCUTYOOVKBWLN-ZFWWWQNUSA-N 2 1 247.386 2.039 20 0 BEADMP C[C@H]1C[C@@H]([NH+](C)CCc2cccnc2)CC[N@H+]1C ZINC000172844217 177327745 /nfs/dbraw/zinc/32/77/45/177327745.db2.gz RQCUTYOOVKBWLN-ZFWWWQNUSA-N 2 1 247.386 2.039 20 0 BEADMP C[C@H]1C[C@@H]([N@H+](C)CCc2cccnc2)CC[NH+]1C ZINC000172844217 177327747 /nfs/dbraw/zinc/32/77/47/177327747.db2.gz RQCUTYOOVKBWLN-ZFWWWQNUSA-N 2 1 247.386 2.039 20 0 BEADMP C[C@H]1C[C@@H]([N@@H+](C)CCc2cccnc2)CC[NH+]1C ZINC000172844217 177327749 /nfs/dbraw/zinc/32/77/49/177327749.db2.gz RQCUTYOOVKBWLN-ZFWWWQNUSA-N 2 1 247.386 2.039 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CCC(C)(F)F)CC[N@H+]1C ZINC000357715628 177330670 /nfs/dbraw/zinc/33/06/70/177330670.db2.gz YFXHLOLOXMWKNZ-UWVGGRQHSA-N 2 1 220.307 2.104 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC1(C)CC1 ZINC000309767174 177330806 /nfs/dbraw/zinc/33/08/06/177330806.db2.gz JRPIXFPFXLUVHB-FRRDWIJNSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000336781419 177330944 /nfs/dbraw/zinc/33/09/44/177330944.db2.gz UPZKXKVCIPUXBL-WCABBAIRSA-N 2 1 232.318 2.102 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]Cc2cccs2)CC[N@@H+]1C ZINC000090721236 177333507 /nfs/dbraw/zinc/33/35/07/177333507.db2.gz YHCXPELEHCKDMM-QWRGUYRKSA-N 2 1 224.373 2.320 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]Cc2cccs2)CC[N@H+]1C ZINC000090721236 177333510 /nfs/dbraw/zinc/33/35/10/177333510.db2.gz YHCXPELEHCKDMM-QWRGUYRKSA-N 2 1 224.373 2.320 20 0 BEADMP C[C@H]1C[C@@H]1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348869823 177342679 /nfs/dbraw/zinc/34/26/79/177342679.db2.gz PLSOTKJEAXKTNY-IZXDZPFWSA-N 2 1 222.376 2.199 20 0 BEADMP C[C@H]1C[C@@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348869823 177342681 /nfs/dbraw/zinc/34/26/81/177342681.db2.gz PLSOTKJEAXKTNY-IZXDZPFWSA-N 2 1 222.376 2.199 20 0 BEADMP C[C@H]1C[C@@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348869823 177342682 /nfs/dbraw/zinc/34/26/82/177342682.db2.gz PLSOTKJEAXKTNY-IZXDZPFWSA-N 2 1 222.376 2.199 20 0 BEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC1CCCC1 ZINC000049713044 177365151 /nfs/dbraw/zinc/36/51/51/177365151.db2.gz OCGLWQCRBLRXMP-WCQYABFASA-N 2 1 210.365 2.378 20 0 BEADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2)CC[N@H+]1C ZINC000073655697 177370622 /nfs/dbraw/zinc/37/06/22/177370622.db2.gz KZTLAVPYGULHBC-GXTWGEPZSA-N 2 1 218.344 2.259 20 0 BEADMP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000669680749 487644052 /nfs/dbraw/zinc/64/40/52/487644052.db2.gz HYWARZBBPNYRDY-ZIAGYGMSSA-N 2 1 242.407 2.120 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000488352454 225382725 /nfs/dbraw/zinc/38/27/25/225382725.db2.gz NVTPFPNJCWPNTO-SNPRPXQTSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@@H]1C[C@H]1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000488352454 225382727 /nfs/dbraw/zinc/38/27/27/225382727.db2.gz NVTPFPNJCWPNTO-SNPRPXQTSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@@H]1C[C@H]1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000488352454 225382733 /nfs/dbraw/zinc/38/27/33/225382733.db2.gz NVTPFPNJCWPNTO-SNPRPXQTSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@H](Cc1cccs1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400457253 226343980 /nfs/dbraw/zinc/34/39/80/226343980.db2.gz QGTXZYHWYFYWPY-NTZNESFSSA-N 2 1 238.400 2.409 20 0 BEADMP Cc1ccccc1CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400733499 226350684 /nfs/dbraw/zinc/35/06/84/226350684.db2.gz JHWQZRGEOGTWIJ-HIFRSBDPSA-N 2 1 232.371 2.268 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CC2CCC1CC2 ZINC000401640983 226360533 /nfs/dbraw/zinc/36/05/33/226360533.db2.gz HONHYDLOLDCBIY-ORHYLEIMSA-N 2 1 233.359 2.131 20 0 BEADMP C[C@H](C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1)C(C)(C)C ZINC000162967762 487675534 /nfs/dbraw/zinc/67/55/34/487675534.db2.gz VLHMVHRYGDRJCN-UTUOFQBUSA-N 2 1 212.381 2.338 20 0 BEADMP C[C@H]1C[C@H]([NH2+][C@H]2C[NH2+]C[C@@H](C)C2)C[C@@H](C)C1 ZINC000401708709 487683108 /nfs/dbraw/zinc/68/31/08/487683108.db2.gz CSACSSPBWCYWDH-MEBFFEOJSA-N 2 1 224.392 2.399 20 0 BEADMP Cc1cncc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000228622539 487695107 /nfs/dbraw/zinc/69/51/07/487695107.db2.gz HZOJCYUDUXESAI-CQSZACIVSA-N 2 1 235.375 2.195 20 0 BEADMP Cc1cncc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000228622539 487695112 /nfs/dbraw/zinc/69/51/12/487695112.db2.gz HZOJCYUDUXESAI-CQSZACIVSA-N 2 1 235.375 2.195 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527636766 262868018 /nfs/dbraw/zinc/86/80/18/262868018.db2.gz DPTFUOZMFVDAFT-MPTQWLOMSA-N 2 1 248.414 2.495 20 0 BEADMP CCC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)OCC ZINC000527934706 262896592 /nfs/dbraw/zinc/89/65/92/262896592.db2.gz SZSVQYPRCSWBCR-MELADBBJSA-N 2 1 242.407 2.264 20 0 BEADMP CC(C)(CC[N@H+]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000328573718 487716545 /nfs/dbraw/zinc/71/65/45/487716545.db2.gz WDIRIWGXBIJBOU-GFCCVEGCSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)C1CC1 ZINC000671743656 487718667 /nfs/dbraw/zinc/71/86/67/487718667.db2.gz GRRBHUQTUIWGHG-NGFQHRJXSA-N 2 1 236.403 2.495 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC1(C)CCC1 ZINC000336713528 487719805 /nfs/dbraw/zinc/71/98/05/487719805.db2.gz VOGLLDVPUGCKLD-GFCCVEGCSA-N 2 1 212.381 2.482 20 0 BEADMP c1cncc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000249920694 487725897 /nfs/dbraw/zinc/72/58/97/487725897.db2.gz VETUIURHQDMZIE-HUUCEWRRSA-N 2 1 245.370 2.046 20 0 BEADMP c1cncc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000249920694 487725903 /nfs/dbraw/zinc/72/59/03/487725903.db2.gz VETUIURHQDMZIE-HUUCEWRRSA-N 2 1 245.370 2.046 20 0 BEADMP c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccn1 ZINC000250163508 487727139 /nfs/dbraw/zinc/72/71/39/487727139.db2.gz IQBRZZXSXZGHJP-LSDHHAIUSA-N 2 1 245.370 2.046 20 0 BEADMP c1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccn1 ZINC000250163508 487727146 /nfs/dbraw/zinc/72/71/46/487727146.db2.gz IQBRZZXSXZGHJP-LSDHHAIUSA-N 2 1 245.370 2.046 20 0 BEADMP CC[C@H]1C[N@@H+](CCOCCC(C)C)CC[C@H]1[NH3+] ZINC000251583893 487772125 /nfs/dbraw/zinc/77/21/25/487772125.db2.gz CLAJCXVFQVBKOT-UONOGXRCSA-N 2 1 242.407 2.108 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC1CCCC1 ZINC000049713043 487777212 /nfs/dbraw/zinc/77/72/12/487777212.db2.gz OCGLWQCRBLRXMP-DGCLKSJQSA-N 2 1 210.365 2.378 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000300669627 487788296 /nfs/dbraw/zinc/78/82/96/487788296.db2.gz RTTJOLKRWLCCJC-MELADBBJSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000300669627 487788303 /nfs/dbraw/zinc/78/83/03/487788303.db2.gz RTTJOLKRWLCCJC-MELADBBJSA-N 2 1 242.407 2.264 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679225313 487788789 /nfs/dbraw/zinc/78/87/89/487788789.db2.gz PQHJWECHVMBRNS-YPMHNXCESA-N 2 1 239.338 2.262 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679225313 487788793 /nfs/dbraw/zinc/78/87/93/487788793.db2.gz PQHJWECHVMBRNS-YPMHNXCESA-N 2 1 239.338 2.262 20 0 BEADMP CC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)CC1 ZINC000251725278 487792613 /nfs/dbraw/zinc/79/26/13/487792613.db2.gz KDPTYCOQBZDIDX-OLZOCXBDSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccncc1 ZINC000675926987 487793383 /nfs/dbraw/zinc/79/33/83/487793383.db2.gz KAAQCZPAILROKT-NFAWXSAZSA-N 2 1 247.386 2.257 20 0 BEADMP CC[C@@H]1C[N@H+](Cc2scnc2C)CC[C@H]1[NH3+] ZINC000251812632 487799706 /nfs/dbraw/zinc/79/97/06/487799706.db2.gz ORXZEECOXJYYKJ-GHMZBOCLSA-N 2 1 239.388 2.011 20 0 BEADMP CC[C@@H]1C[N@@H+](Cc2scnc2C)CC[C@H]1[NH3+] ZINC000251812632 487799707 /nfs/dbraw/zinc/79/97/07/487799707.db2.gz ORXZEECOXJYYKJ-GHMZBOCLSA-N 2 1 239.388 2.011 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000459799675 487800632 /nfs/dbraw/zinc/80/06/32/487800632.db2.gz YVRRDOGOSXHFLN-YUELXQCFSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@H]1C[N@H+](Cc2cnc(C)s2)CC[C@H]1[NH3+] ZINC000251871082 487804408 /nfs/dbraw/zinc/80/44/08/487804408.db2.gz UJWYXJUBMIMGBY-CMPLNLGQSA-N 2 1 239.388 2.011 20 0 BEADMP CC[C@H]1C[N@@H+](Cc2cnc(C)s2)CC[C@H]1[NH3+] ZINC000251871082 487804412 /nfs/dbraw/zinc/80/44/12/487804412.db2.gz UJWYXJUBMIMGBY-CMPLNLGQSA-N 2 1 239.388 2.011 20 0 BEADMP Cc1ccccc1C[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000415088368 487808938 /nfs/dbraw/zinc/80/89/38/487808938.db2.gz LWOSXYWFVRNIBQ-AWEZNQCLSA-N 2 1 220.360 2.458 20 0 BEADMP C[C@H](c1ccncc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229066935 487813512 /nfs/dbraw/zinc/81/35/12/487813512.db2.gz JYLRZAJAQQIHCS-BZPMIXESSA-N 2 1 233.359 2.059 20 0 BEADMP Cc1ccc(C[N@@H+]2CCC[C@H]2CN)cc1C ZINC000039781757 487813716 /nfs/dbraw/zinc/81/37/16/487813716.db2.gz WVIMALIBOGENEI-AWEZNQCLSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@H]2CN)cc1C ZINC000039781757 487813723 /nfs/dbraw/zinc/81/37/23/487813723.db2.gz WVIMALIBOGENEI-AWEZNQCLSA-N 2 1 218.344 2.227 20 0 BEADMP COC[C@H](CC(C)(C)C)[NH2+]C1CC[NH+](C)CC1 ZINC000651669061 487814315 /nfs/dbraw/zinc/81/43/15/487814315.db2.gz CSLNCDLNCZSNMN-ZDUSSCGKSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@@H](C)[N@@H+](CC)CC[C@@H]1CCC[NH2+]C1 ZINC000051918978 487817361 /nfs/dbraw/zinc/81/73/61/487817361.db2.gz OSROTPFDVIGAMR-OLZOCXBDSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000051919699 487817380 /nfs/dbraw/zinc/81/73/80/487817380.db2.gz WAEQMMVZWAVTNX-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cc(C)cc([C@@H]2CC[N@@H+](CCC[NH3+])C2)c1 ZINC000414716677 487819034 /nfs/dbraw/zinc/81/90/34/487819034.db2.gz SNFQKYTYAWCTGM-CQSZACIVSA-N 2 1 232.371 2.442 20 0 BEADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cccnc1 ZINC000651866774 487849321 /nfs/dbraw/zinc/84/93/21/487849321.db2.gz QREFGGZNIBJLBR-UHFFFAOYSA-N 2 1 235.375 2.149 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cccnc1 ZINC000651866774 487849327 /nfs/dbraw/zinc/84/93/27/487849327.db2.gz QREFGGZNIBJLBR-UHFFFAOYSA-N 2 1 235.375 2.149 20 0 BEADMP [NH3+]C[C@H]([NH2+]Cc1ccccc1C1CC1)C1CC1 ZINC000666746302 487870709 /nfs/dbraw/zinc/87/07/09/487870709.db2.gz DHFBQBIDUOERDC-HNNXBMFYSA-N 2 1 230.355 2.391 20 0 BEADMP COCC[N@@H+](C)CCC[NH2+]C[C@@H](C)C(C)(C)C ZINC000670266659 487874963 /nfs/dbraw/zinc/87/49/63/487874963.db2.gz QFSBSPSWAMJBMV-CYBMUJFWSA-N 2 1 244.423 2.227 20 0 BEADMP FC(F)[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000682029450 487881030 /nfs/dbraw/zinc/88/10/30/487881030.db2.gz OENUSFAKYXZJDV-LBPRGKRZSA-N 2 1 246.345 2.449 20 0 BEADMP FC(F)[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000682029450 487881033 /nfs/dbraw/zinc/88/10/33/487881033.db2.gz OENUSFAKYXZJDV-LBPRGKRZSA-N 2 1 246.345 2.449 20 0 BEADMP C[C@H](C[NH3+])C[NH2+]Cc1cscc1Cl ZINC000666826439 487886893 /nfs/dbraw/zinc/88/68/93/487886893.db2.gz ZIKBKLUBNSZUEO-SSDOTTSWSA-N 2 1 218.753 2.086 20 0 BEADMP C[C@@H](CC[NH3+])[NH2+]Cc1cscc1Cl ZINC000666831985 487888022 /nfs/dbraw/zinc/88/80/22/487888022.db2.gz ZUYLRJGGJILCLN-ZETCQYMHSA-N 2 1 218.753 2.228 20 0 BEADMP C[C@H](CC1CCC1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000666860559 487893233 /nfs/dbraw/zinc/89/32/33/487893233.db2.gz GSKFWNUNVNAMKJ-WZRBSPASSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@H]1CCCC[C@H]1C[N@@H+](C)CC1CN(C)C1 ZINC000668539864 487906580 /nfs/dbraw/zinc/90/65/80/487906580.db2.gz OPBRRGRTHHPEPQ-JSGCOSHPSA-N 2 1 224.392 2.306 20 0 BEADMP CC(F)(F)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000357703960 487916602 /nfs/dbraw/zinc/91/66/02/487916602.db2.gz DZNNQXVISIBBAS-UHFFFAOYSA-N 2 1 232.318 2.248 20 0 BEADMP C[C@H]1CCC[N@@H+](Cc2cccc(O)c2)[C@H]1CC[NH3+] ZINC000404294064 487917141 /nfs/dbraw/zinc/91/71/41/487917141.db2.gz MROAIQNFCHFBPZ-WFASDCNBSA-N 2 1 248.370 2.342 20 0 BEADMP Oc1cccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666998346 487925424 /nfs/dbraw/zinc/92/54/24/487925424.db2.gz OQTITJBDVDFZRU-CYBMUJFWSA-N 2 1 246.354 2.157 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)C1CCCC1 ZINC000235204398 487933066 /nfs/dbraw/zinc/93/30/66/487933066.db2.gz RELPJFBLZSPPMI-DGCLKSJQSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)C(C)(C)C ZINC000667066770 487936614 /nfs/dbraw/zinc/93/66/14/487936614.db2.gz HPUUWYLRGHGVOF-QJPTWQEYSA-N 2 1 212.381 2.399 20 0 BEADMP C(C1CCC1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000083839908 487942042 /nfs/dbraw/zinc/94/20/42/487942042.db2.gz YMTNIUSCZAGENU-KGLIPLIRSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(O)cc2)CC[N@@H+]1C ZINC000682405398 487948758 /nfs/dbraw/zinc/94/87/58/487948758.db2.gz VHUPHCYAPSHPHK-GXTWGEPZSA-N 2 1 248.370 2.307 20 0 BEADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(O)cc2)CC[N@H+]1C ZINC000682405398 487948761 /nfs/dbraw/zinc/94/87/61/487948761.db2.gz VHUPHCYAPSHPHK-GXTWGEPZSA-N 2 1 248.370 2.307 20 0 BEADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(O)cc2)CC[NH+]1C ZINC000682405398 487948763 /nfs/dbraw/zinc/94/87/63/487948763.db2.gz VHUPHCYAPSHPHK-GXTWGEPZSA-N 2 1 248.370 2.307 20 0 BEADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(O)cc2)CC[NH+]1C ZINC000682405398 487948767 /nfs/dbraw/zinc/94/87/67/487948767.db2.gz VHUPHCYAPSHPHK-GXTWGEPZSA-N 2 1 248.370 2.307 20 0 BEADMP CC1(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)CC1 ZINC000562427437 323019672 /nfs/dbraw/zinc/01/96/72/323019672.db2.gz SKTVYCOVFZZFEH-CYBMUJFWSA-N 2 1 232.327 2.335 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(SC)CC2)[C@@H](C)C1 ZINC000248638373 323028394 /nfs/dbraw/zinc/02/83/94/323028394.db2.gz AUXBKSGEKVYTBZ-NWDGAFQWSA-N 2 1 242.432 2.202 20 0 BEADMP CCCOc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000562748360 323029756 /nfs/dbraw/zinc/02/97/56/323029756.db2.gz JKTBXEZATYBDCJ-NWDGAFQWSA-N 2 1 236.359 2.301 20 0 BEADMP Cc1ccncc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000562860787 323032175 /nfs/dbraw/zinc/03/21/75/323032175.db2.gz IPAPRUBREFIBSG-UONOGXRCSA-N 2 1 247.386 2.382 20 0 BEADMP Cc1ccncc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000562860786 323032249 /nfs/dbraw/zinc/03/22/49/323032249.db2.gz IPAPRUBREFIBSG-KGLIPLIRSA-N 2 1 247.386 2.382 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCSC2)C[C@@H]1C[NH3+] ZINC000397252917 323043072 /nfs/dbraw/zinc/04/30/72/323043072.db2.gz DHOZJYSHRXSKHC-XQHKEYJVSA-N 2 1 242.432 2.045 20 0 BEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1sccc1OC ZINC000570200156 323052689 /nfs/dbraw/zinc/05/26/89/323052689.db2.gz NSBDQCGHLZLVGZ-JTQLQIEISA-N 2 1 242.388 2.407 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC2(F)F)CC[N@H+]1C ZINC000394491613 323055319 /nfs/dbraw/zinc/05/53/19/323055319.db2.gz CPDFKCAMEVZNRW-GRYCIOLGSA-N 2 1 246.345 2.494 20 0 BEADMP CC(C)[C@@H](C)[N@H+](C)CCCc1c[nH+]cn1C ZINC000570341948 323056645 /nfs/dbraw/zinc/05/66/45/323056645.db2.gz WCVVVDQEJZAWGW-GFCCVEGCSA-N 2 1 223.364 2.329 20 0 BEADMP C[N@H+](C/C=C/c1ccc(F)cc1)CCC[NH3+] ZINC000570450522 323059862 /nfs/dbraw/zinc/05/98/62/323059862.db2.gz IFWNLIMTPBSCST-DUXPYHPUSA-N 2 1 222.307 2.120 20 0 BEADMP C[C@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](C)C2)C1 ZINC000536541729 323077368 /nfs/dbraw/zinc/07/73/68/323077368.db2.gz QMTQHOFMGVBTGA-KBPBESRZSA-N 2 1 224.392 2.450 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccnc2ccccc12 ZINC000571504662 323146033 /nfs/dbraw/zinc/14/60/33/323146033.db2.gz VIARQNVKJUNYCH-AWEZNQCLSA-N 2 1 243.354 2.308 20 0 BEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cncc(C)c1 ZINC000571514172 323146435 /nfs/dbraw/zinc/14/64/35/323146435.db2.gz RWKRMDDAVQQGHC-LBPRGKRZSA-N 2 1 221.348 2.040 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000531940793 323156030 /nfs/dbraw/zinc/15/60/30/323156030.db2.gz MRBLERYZRSCBKY-DGCLKSJQSA-N 2 1 236.359 2.203 20 0 BEADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000394937712 323184690 /nfs/dbraw/zinc/18/46/90/323184690.db2.gz CHCSGVLUGOORJU-DDTOSNHZSA-N 2 1 248.370 2.270 20 0 BEADMP CC[C@@]1(C)CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000399422496 323206036 /nfs/dbraw/zinc/20/60/36/323206036.db2.gz VKEABJNQPGHWIN-OLZOCXBDSA-N 2 1 212.381 2.482 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)o1 ZINC000532450369 323265225 /nfs/dbraw/zinc/26/52/25/323265225.db2.gz CVFGAVALJIIATO-RISCZKNCSA-N 2 1 236.359 2.060 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)C1CC(F)(F)C1 ZINC000529533236 324327783 /nfs/dbraw/zinc/32/77/83/324327783.db2.gz KAUYOLGOOSAXEH-SECBINFHSA-N 2 1 232.318 2.104 20 0 BEADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ncccc1F ZINC000530222123 324540043 /nfs/dbraw/zinc/54/00/43/324540043.db2.gz GSQQPVDQSXKNSJ-AXFHLTTASA-N 2 1 237.322 2.141 20 0 BEADMP Cc1ccncc1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530355223 324586558 /nfs/dbraw/zinc/58/65/58/324586558.db2.gz IHCSEJZKYWLICM-LBPRGKRZSA-N 2 1 244.342 2.017 20 0 BEADMP COCc1cccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000131439954 325151786 /nfs/dbraw/zinc/15/17/86/325151786.db2.gz VVEDYSANBGIZTE-IUODEOHRSA-N 2 1 248.370 2.145 20 0 BEADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000132428610 325216073 /nfs/dbraw/zinc/21/60/73/325216073.db2.gz PKIHKCWZYWMVAU-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000554721348 325734527 /nfs/dbraw/zinc/73/45/27/325734527.db2.gz LSQXOVJSRZWAEY-UONOGXRCSA-N 2 1 233.359 2.131 20 0 BEADMP [NH3+][C@@H](C[NH2+]Cc1ccnc2ccccc12)C1CC1 ZINC000566725668 326076882 /nfs/dbraw/zinc/07/68/82/326076882.db2.gz FWVDUDDKRKPWIA-AWEZNQCLSA-N 2 1 241.338 2.062 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000309987665 326178339 /nfs/dbraw/zinc/17/83/39/326178339.db2.gz ZEXSSEKPTANXGG-KWCYVHTRSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@H]1CCC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000314188657 326294455 /nfs/dbraw/zinc/29/44/55/326294455.db2.gz QXQPXXNBDVNKNG-AAEUAGOBSA-N 2 1 221.348 2.131 20 0 BEADMP CCCC[C@H](COC)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158199110 326311412 /nfs/dbraw/zinc/31/14/12/326311412.db2.gz WWMVQRXHQORWGW-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCC1(C)C ZINC000568182727 326322324 /nfs/dbraw/zinc/32/23/24/326322324.db2.gz ZOXVEXZVBDTGDJ-RYUDHWBXSA-N 2 1 210.365 2.249 20 0 BEADMP COc1cccc(C[C@@H]2CCC[N@@H+]2C[C@H](C)[NH3+])c1 ZINC000568749352 326374728 /nfs/dbraw/zinc/37/47/28/326374728.db2.gz VYVNQVNVZFXTRO-JSGCOSHPSA-N 2 1 248.370 2.049 20 0 BEADMP COc1cccc(C[C@@H]2CCC[N@H+]2C[C@H](C)[NH3+])c1 ZINC000568749352 326374730 /nfs/dbraw/zinc/37/47/30/326374730.db2.gz VYVNQVNVZFXTRO-JSGCOSHPSA-N 2 1 248.370 2.049 20 0 BEADMP Cc1[nH+]cc(CNc2ccc(C)cn2)n1C ZINC000569021399 326387280 /nfs/dbraw/zinc/38/72/80/326387280.db2.gz XTAZKFZFFTXPTI-UHFFFAOYSA-N 2 1 216.288 2.044 20 0 BEADMP C[C@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)C(C)(C)C ZINC000396621087 487991133 /nfs/dbraw/zinc/99/11/33/487991133.db2.gz HPUUWYLRGHGVOF-WOPDTQHZSA-N 2 1 212.381 2.399 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000488336107 533714607 /nfs/dbraw/zinc/71/46/07/533714607.db2.gz SYXMAGKAVCJLJL-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000488336107 533714586 /nfs/dbraw/zinc/71/45/86/533714586.db2.gz SYXMAGKAVCJLJL-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000488336107 533714597 /nfs/dbraw/zinc/71/45/97/533714597.db2.gz SYXMAGKAVCJLJL-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424377032 533716496 /nfs/dbraw/zinc/71/64/96/533716496.db2.gz LPAQFAIXCILICM-FRRDWIJNSA-N 2 1 222.376 2.106 20 0 BEADMP CC(C)C[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667496444 488029213 /nfs/dbraw/zinc/02/92/13/488029213.db2.gz VAIVALGWVKOJKB-UHFFFAOYSA-N 2 1 244.342 2.355 20 0 BEADMP CC[C@@H]1CCC[N@H+]1Cc1cnc2n1CCC2 ZINC000667545124 488041850 /nfs/dbraw/zinc/04/18/50/488041850.db2.gz YCDMJJGIEOAJFM-LLVKDONJSA-N 2 1 219.332 2.204 20 0 BEADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cccc(F)c1F ZINC000663498921 488047467 /nfs/dbraw/zinc/04/74/67/488047467.db2.gz UKCRSSLHOOJXNR-GFCCVEGCSA-N 2 1 242.313 2.428 20 0 BEADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000084385692 488050028 /nfs/dbraw/zinc/05/00/28/488050028.db2.gz IDXVHGFARSKHLW-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H](Cc1ccccc1F)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663499948 488049644 /nfs/dbraw/zinc/04/96/44/488049644.db2.gz HBYFRSNAVPSBTC-BZUNDVKYSA-N 2 1 248.345 2.098 20 0 BEADMP CC(C)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000084478515 488053659 /nfs/dbraw/zinc/05/36/59/488053659.db2.gz UQBUNANRKPVVNO-LBPRGKRZSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H]1C[N@@H+](Cc2cccs2)CC[C@@H]1[NH3+] ZINC000166087302 488054124 /nfs/dbraw/zinc/05/41/24/488054124.db2.gz QZIHNVAVIARPDN-PWSUYJOCSA-N 2 1 224.373 2.307 20 0 BEADMP CC(C)C([NH2+]CCc1c[nH+]cn1C)C(C)C ZINC000401745582 488061085 /nfs/dbraw/zinc/06/10/85/488061085.db2.gz KBSSTDSSMAWXHW-UHFFFAOYSA-N 2 1 223.364 2.233 20 0 BEADMP CCC(CC)[N@@H+](CC)C[C@H](O)C[NH+](C)C(C)C ZINC000660559988 488064495 /nfs/dbraw/zinc/06/44/95/488064495.db2.gz FWHQOCFFNACBCR-CQSZACIVSA-N 2 1 244.423 2.198 20 0 BEADMP CCC(CC)[NH+](CC)C[C@H](O)C[N@H+](C)C(C)C ZINC000660559988 488064496 /nfs/dbraw/zinc/06/44/96/488064496.db2.gz FWHQOCFFNACBCR-CQSZACIVSA-N 2 1 244.423 2.198 20 0 BEADMP CCC(CC)[NH+](CC)C[C@H](O)C[N@@H+](C)C(C)C ZINC000660559988 488064498 /nfs/dbraw/zinc/06/44/98/488064498.db2.gz FWHQOCFFNACBCR-CQSZACIVSA-N 2 1 244.423 2.198 20 0 BEADMP CC[C@@H]1CN(Cc2cnc(C)n2C)CCS1 ZINC000667650120 488073468 /nfs/dbraw/zinc/07/34/68/488073468.db2.gz MOIIWBRZNIXICN-GFCCVEGCSA-N 2 1 239.388 2.056 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cnc2n1CCC2 ZINC000667664539 488079869 /nfs/dbraw/zinc/07/98/69/488079869.db2.gz NLPVPLZAWZTGIK-WDEREUQCSA-N 2 1 219.332 2.060 20 0 BEADMP C[C@H](c1ccncc1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257687937 488081538 /nfs/dbraw/zinc/08/15/38/488081538.db2.gz IMCQKJDRNOILEF-UKRRQHHQSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@H](c1ccncc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257687937 488081542 /nfs/dbraw/zinc/08/15/42/488081542.db2.gz IMCQKJDRNOILEF-UKRRQHHQSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@H](c1ccccn1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257700973 488082598 /nfs/dbraw/zinc/08/25/98/488082598.db2.gz LGJBDSCWYLDNPS-HIFRSBDPSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@H](c1ccccn1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257700973 488082602 /nfs/dbraw/zinc/08/26/02/488082602.db2.gz LGJBDSCWYLDNPS-HIFRSBDPSA-N 2 1 245.370 2.218 20 0 BEADMP C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000378890529 488109952 /nfs/dbraw/zinc/10/99/52/488109952.db2.gz PVMWLGVKMFPXLZ-NEBZKDRISA-N 2 1 234.387 2.249 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccoc2C)[C@@H](C)C1 ZINC000675780436 488120899 /nfs/dbraw/zinc/12/08/99/488120899.db2.gz YJCKWQVZDWVTPD-FZMZJTMJSA-N 2 1 236.359 2.408 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccoc2C)[C@@H](C)C1 ZINC000675780436 488120903 /nfs/dbraw/zinc/12/09/03/488120903.db2.gz YJCKWQVZDWVTPD-FZMZJTMJSA-N 2 1 236.359 2.408 20 0 BEADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403602591 488128299 /nfs/dbraw/zinc/12/82/99/488128299.db2.gz GYGIGTMICGFJPS-YIYPIFLZSA-N 2 1 222.376 2.093 20 0 BEADMP CCOc1ccc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)cc1 ZINC000258778962 488133159 /nfs/dbraw/zinc/13/31/59/488133159.db2.gz BEWAAKBGSLTVEE-AWEZNQCLSA-N 2 1 248.370 2.127 20 0 BEADMP CCc1ccc(CC[N@@H+](C)CCC[NH3+])cc1 ZINC000258774145 488133736 /nfs/dbraw/zinc/13/37/36/488133736.db2.gz OLJPVECYUGUTDH-UHFFFAOYSA-N 2 1 220.360 2.072 20 0 BEADMP CC[C@@H](CC(F)F)C[N@@H+](C)CC(C)(C)N ZINC000662293643 487542321 /nfs/dbraw/zinc/54/23/21/487542321.db2.gz HAQWHTLQZGDOKU-VIFPVBQESA-N 2 1 222.323 2.337 20 0 BEADMP CC[C@@H](CC(F)F)CN(C)CC(C)(C)[NH3+] ZINC000662293643 487542326 /nfs/dbraw/zinc/54/23/26/487542326.db2.gz HAQWHTLQZGDOKU-VIFPVBQESA-N 2 1 222.323 2.337 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000382114116 487531377 /nfs/dbraw/zinc/53/13/77/487531377.db2.gz LOBJZUAVAZXHEG-MQYQWHSLSA-N 2 1 222.376 2.106 20 0 BEADMP CC[N@@H+](CCN)Cc1cccc2ncccc12 ZINC000231819122 487477025 /nfs/dbraw/zinc/47/70/25/487477025.db2.gz OXHPQOOOZGVFIW-UHFFFAOYSA-N 2 1 229.327 2.015 20 0 BEADMP CCc1cc(NCc2nccn2CC)nc(C)[nH+]1 ZINC000295079272 487480838 /nfs/dbraw/zinc/48/08/38/487480838.db2.gz XMHQVZOIJLWWHX-UHFFFAOYSA-N 2 1 245.330 2.176 20 0 BEADMP CC(C)CCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000380971965 487491862 /nfs/dbraw/zinc/49/18/62/487491862.db2.gz AQZDJSYBZHRYDD-KBPBESRZSA-N 2 1 224.392 2.483 20 0 BEADMP CC(C)(CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)C1CC1 ZINC000406061564 487498444 /nfs/dbraw/zinc/49/84/44/487498444.db2.gz MTUCMTCYLGWUTJ-GXTWGEPZSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)(CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)C1CC1 ZINC000406061564 487498449 /nfs/dbraw/zinc/49/84/49/487498449.db2.gz MTUCMTCYLGWUTJ-GXTWGEPZSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)CC[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000300056253 487499083 /nfs/dbraw/zinc/49/90/83/487499083.db2.gz OLWLZWUYGMVJAW-CHWSQXEVSA-N 2 1 212.381 2.352 20 0 BEADMP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1nccs1 ZINC000086404435 487500836 /nfs/dbraw/zinc/50/08/36/487500836.db2.gz ZSQVGJXGSQNFSC-DCAQKATOSA-N 2 1 239.388 2.454 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662267829 487509003 /nfs/dbraw/zinc/50/90/03/487509003.db2.gz ZGDWBUJIALLDFW-CYBMUJFWSA-N 2 1 208.349 2.028 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000662267832 487509725 /nfs/dbraw/zinc/50/97/25/487509725.db2.gz ZGDWBUJIALLDFW-ZDUSSCGKSA-N 2 1 208.349 2.028 20 0 BEADMP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000662273957 490044984 /nfs/dbraw/zinc/04/49/84/490044984.db2.gz CROSJAOFQXFIDL-GZBLMMOJSA-N 2 1 234.387 2.106 20 0 BEADMP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000662273957 490044987 /nfs/dbraw/zinc/04/49/87/490044987.db2.gz CROSJAOFQXFIDL-GZBLMMOJSA-N 2 1 234.387 2.106 20 0 BEADMP CC1CCC([NH2+]C[C@@H]2CCCC[NH2+]2)CC1 ZINC000232860908 487665571 /nfs/dbraw/zinc/66/55/71/487665571.db2.gz XMIYQMDTPXGKOS-BPCQOVAHSA-N 2 1 210.365 2.297 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378969174 488114901 /nfs/dbraw/zinc/11/49/01/488114901.db2.gz YLQRBOCSRYDTKP-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378969174 488114904 /nfs/dbraw/zinc/11/49/04/488114904.db2.gz YLQRBOCSRYDTKP-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403788611 488138499 /nfs/dbraw/zinc/13/84/99/488138499.db2.gz ZWLKYKNHMYQPSF-LJISPDSOSA-N 2 1 236.403 2.483 20 0 BEADMP C[N@@H+](Cc1ccc(F)c(F)c1)C[C@H]1CC[NH2+]C1 ZINC000259033019 488148434 /nfs/dbraw/zinc/14/84/34/488148434.db2.gz ZUGJJVKYLVYADI-NSHDSACASA-N 2 1 240.297 2.006 20 0 BEADMP C[N@H+](Cc1ccc(F)c(F)c1)C[C@H]1CC[NH2+]C1 ZINC000259033019 488148439 /nfs/dbraw/zinc/14/84/39/488148439.db2.gz ZUGJJVKYLVYADI-NSHDSACASA-N 2 1 240.297 2.006 20 0 BEADMP C/C(=C\c1ccccc1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000678343293 488243255 /nfs/dbraw/zinc/24/32/55/488243255.db2.gz PBPJUZAWZYWQDZ-WVHJRZPWSA-N 2 1 242.366 2.241 20 0 BEADMP CC(C)[NH+](CC[NH2+][C@H](C)CCCCO)C(C)C ZINC000679329239 488339808 /nfs/dbraw/zinc/33/98/08/488339808.db2.gz IHPRJFPTNXKDOP-CQSZACIVSA-N 2 1 244.423 2.246 20 0 BEADMP Cc1n[nH]cc1[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000679331730 488340882 /nfs/dbraw/zinc/34/08/82/488340882.db2.gz POIQWVPREBZBCR-NSHDSACASA-N 2 1 238.379 2.099 20 0 BEADMP Cc1n[nH]cc1[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000679331730 488340878 /nfs/dbraw/zinc/34/08/78/488340878.db2.gz POIQWVPREBZBCR-NSHDSACASA-N 2 1 238.379 2.099 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)C1CC1 ZINC000121862258 490111678 /nfs/dbraw/zinc/11/16/78/490111678.db2.gz AYNYFHNCHHIAKD-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C[C@H]1CCC[NH+](C)C1 ZINC000659949743 490113215 /nfs/dbraw/zinc/11/32/15/490113215.db2.gz VTYZPKAXOHUPHL-XQLPTFJDSA-N 2 1 236.403 2.306 20 0 BEADMP C[NH+](C[C@@H]1C[C@H]2C[C@H]2C1)C[C@H]1CCC[N@H+](C)C1 ZINC000659949743 490113223 /nfs/dbraw/zinc/11/32/23/490113223.db2.gz VTYZPKAXOHUPHL-XQLPTFJDSA-N 2 1 236.403 2.306 20 0 BEADMP C[NH+](C[C@@H]1C[C@H]2C[C@H]2C1)C[C@H]1CCC[N@@H+](C)C1 ZINC000659949743 490113232 /nfs/dbraw/zinc/11/32/32/490113232.db2.gz VTYZPKAXOHUPHL-XQLPTFJDSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000235075776 490149861 /nfs/dbraw/zinc/14/98/61/490149861.db2.gz IDJUBKJLJSYUQJ-STQMWFEESA-N 2 1 236.359 2.332 20 0 BEADMP CC1(C)CC[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C1 ZINC000129585651 490153273 /nfs/dbraw/zinc/15/32/73/490153273.db2.gz XMPDXDDOKXFROX-RYUDHWBXSA-N 2 1 210.365 2.297 20 0 BEADMP CC[C@@H](C)C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000070585327 490222969 /nfs/dbraw/zinc/22/29/69/490222969.db2.gz XMHJMOOAPNVLBD-OLZOCXBDSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H](C)C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000070585327 490222961 /nfs/dbraw/zinc/22/29/61/490222961.db2.gz XMHJMOOAPNVLBD-OLZOCXBDSA-N 2 1 212.381 2.495 20 0 BEADMP Cc1ccc(CC[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000075169006 490518883 /nfs/dbraw/zinc/51/88/83/490518883.db2.gz ISDYRBKUXMHXGT-UHFFFAOYSA-N 2 1 232.371 2.221 20 0 BEADMP C[N@@H+](CCC[NH3+])CCCc1c(F)cccc1F ZINC000655937915 491098769 /nfs/dbraw/zinc/09/87/69/491098769.db2.gz IDONKSSCZGHAEM-UHFFFAOYSA-N 2 1 242.313 2.178 20 0 BEADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)CCOC)C1 ZINC000088536716 491104846 /nfs/dbraw/zinc/10/48/46/491104846.db2.gz ZIIAFQBUEKTEAG-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP CCCCC[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000757127729 582503582 /nfs/dbraw/zinc/50/35/82/582503582.db2.gz HVPNJFWZYAYDPY-ZDUSSCGKSA-N 2 1 210.365 2.395 20 0 BEADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCSC2)CC[N@@H+]1C ZINC000494935433 533895870 /nfs/dbraw/zinc/89/58/70/533895870.db2.gz JBINGDDRCVPLPM-JHJVBQTASA-N 2 1 242.432 2.154 20 0 BEADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCSC2)CC[N@H+]1C ZINC000494935433 533895873 /nfs/dbraw/zinc/89/58/73/533895873.db2.gz JBINGDDRCVPLPM-JHJVBQTASA-N 2 1 242.432 2.154 20 0 BEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCSC2)CC[NH+]1C ZINC000494935433 533895881 /nfs/dbraw/zinc/89/58/81/533895881.db2.gz JBINGDDRCVPLPM-JHJVBQTASA-N 2 1 242.432 2.154 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCSC2)CC[NH+]1C ZINC000494935433 533895888 /nfs/dbraw/zinc/89/58/88/533895888.db2.gz JBINGDDRCVPLPM-JHJVBQTASA-N 2 1 242.432 2.154 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CC[C@H](C)C1 ZINC000070762359 535590930 /nfs/dbraw/zinc/59/09/30/535590930.db2.gz UKNNFNSXEOVPDB-AVGNSLFASA-N 2 1 212.381 2.495 20 0 BEADMP Cc1cccc(C)c1OCCC[NH2+][C@H]1CC[NH2+]C1 ZINC000507339367 534680821 /nfs/dbraw/zinc/68/08/21/534680821.db2.gz JIVOSQMWSHCWDU-AWEZNQCLSA-N 2 1 248.370 2.024 20 0 BEADMP C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000252682944 536375065 /nfs/dbraw/zinc/37/50/65/536375065.db2.gz CXZRGFALEOHGSN-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000252682944 536375069 /nfs/dbraw/zinc/37/50/69/536375069.db2.gz CXZRGFALEOHGSN-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP C[NH2+]C1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC000261542477 536440512 /nfs/dbraw/zinc/44/05/12/536440512.db2.gz CGRZRWHTCAEWDV-UHFFFAOYSA-N 2 1 232.371 2.487 20 0 BEADMP C(C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21)C1CCCC1 ZINC000300750336 527480876 /nfs/dbraw/zinc/48/08/76/527480876.db2.gz KXOHFKUGNIVCFA-UONOGXRCSA-N 2 1 222.376 2.251 20 0 BEADMP C(C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21)C1CCCC1 ZINC000300750336 527480886 /nfs/dbraw/zinc/48/08/86/527480886.db2.gz KXOHFKUGNIVCFA-UONOGXRCSA-N 2 1 222.376 2.251 20 0 BEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C[C@H]2C)C1 ZINC000488321748 527837654 /nfs/dbraw/zinc/83/76/54/527837654.db2.gz NRIMXTQTWXXTBZ-RDBSUJKOSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2C)C1 ZINC000488321748 527837660 /nfs/dbraw/zinc/83/76/60/527837660.db2.gz NRIMXTQTWXXTBZ-RDBSUJKOSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2C)C1 ZINC000488321748 527837665 /nfs/dbraw/zinc/83/76/65/527837665.db2.gz NRIMXTQTWXXTBZ-RDBSUJKOSA-N 2 1 224.392 2.306 20 0 BEADMP CC(C)CSCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400432980 528226185 /nfs/dbraw/zinc/22/61/85/528226185.db2.gz LSZKNVDHCUVMOO-VXGBXAGGSA-N 2 1 230.421 2.106 20 0 BEADMP CCC(C)(C)OCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000308715884 528592824 /nfs/dbraw/zinc/59/28/24/528592824.db2.gz BDQPBCKLVUCEBI-STQMWFEESA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000309093350 528828921 /nfs/dbraw/zinc/82/89/21/528828921.db2.gz FSUPILAANZHNRM-IJLUTSLNSA-N 2 1 230.421 2.056 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000309093350 528828925 /nfs/dbraw/zinc/82/89/25/528828925.db2.gz FSUPILAANZHNRM-IJLUTSLNSA-N 2 1 230.421 2.056 20 0 BEADMP CC[NH+]1CCC([N@H+](C)C[C@H]2C[C@@H]2C)CC1 ZINC000488352570 528971821 /nfs/dbraw/zinc/97/18/21/528971821.db2.gz OMOWHIYRHSLJOI-NWDGAFQWSA-N 2 1 210.365 2.059 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2C[C@@H]2C)CC1 ZINC000488352570 528971828 /nfs/dbraw/zinc/97/18/28/528971828.db2.gz OMOWHIYRHSLJOI-NWDGAFQWSA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000479953104 529336246 /nfs/dbraw/zinc/33/62/46/529336246.db2.gz GQUGJXMIQJGODG-BMFZPTHFSA-N 2 1 244.382 2.331 20 0 BEADMP CC(C)[N@@H+](CC1CCC1)C[C@]1(C)CC[NH2+]C1 ZINC000261729288 535047364 /nfs/dbraw/zinc/04/73/64/535047364.db2.gz GZEBEOGEZAKHKO-CQSZACIVSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)(C)[C@@H]1CCC[N@@H+](CCC[NH3+])CC1 ZINC000070652723 535073723 /nfs/dbraw/zinc/07/37/23/535073723.db2.gz ZFUNVBHLIYGHKK-GFCCVEGCSA-N 2 1 212.381 2.483 20 0 BEADMP CC(C)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172644668 535135369 /nfs/dbraw/zinc/13/53/69/535135369.db2.gz YTCJOWMAXCTESQ-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP CC[NH2+]CC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000053664483 535461858 /nfs/dbraw/zinc/46/18/58/535461858.db2.gz VKULTAUCASOYCF-UHFFFAOYSA-N 2 1 233.359 2.216 20 0 BEADMP CCC[C@H](C)[NH2+]CC[N@H+](C)[C@H](C)CC ZINC000251398892 535653215 /nfs/dbraw/zinc/65/32/15/535653215.db2.gz ZMRGFQRRUUOHKN-NWDGAFQWSA-N 2 1 200.370 2.495 20 0 BEADMP CCC[C@H](C)[NH2+]CC[N@@H+](C)[C@H](C)CC ZINC000251398892 535653219 /nfs/dbraw/zinc/65/32/19/535653219.db2.gz ZMRGFQRRUUOHKN-NWDGAFQWSA-N 2 1 200.370 2.495 20 0 BEADMP CCc1ccccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261565582 535935677 /nfs/dbraw/zinc/93/56/77/535935677.db2.gz HSZXYQZIMWVNBK-JYJNAYRXSA-N 2 1 244.382 2.418 20 0 BEADMP CCc1ccccc1C[NH2+]CC(C)(C)[NH3+] ZINC000261536085 535939804 /nfs/dbraw/zinc/93/98/04/535939804.db2.gz QHQCCWZMVCZQSA-UHFFFAOYSA-N 2 1 206.333 2.076 20 0 BEADMP CCc1nc(NCC[C@@H]2CCC[NH2+]C2)cc(C)[nH+]1 ZINC000261569225 536127020 /nfs/dbraw/zinc/12/70/20/536127020.db2.gz JQUGYSYLPXFDSM-LBPRGKRZSA-N 2 1 248.374 2.149 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261585234 536178908 /nfs/dbraw/zinc/17/89/08/536178908.db2.gz SWJQHFZZMYXRIT-HOTGVXAUSA-N 2 1 244.382 2.433 20 0 BEADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccncc2)CC1 ZINC000334408582 536348565 /nfs/dbraw/zinc/34/85/65/536348565.db2.gz IEGZSAQIDLQASC-UHFFFAOYSA-N 2 1 245.370 2.142 20 0 BEADMP C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCC[C@@H]2C)C1 ZINC000252219046 536375694 /nfs/dbraw/zinc/37/56/94/536375694.db2.gz YNWOKELNNHMNAQ-YNEHKIRRSA-N 2 1 210.365 2.106 20 0 BEADMP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCC[C@@H]2C)C1 ZINC000252219046 536375696 /nfs/dbraw/zinc/37/56/96/536375696.db2.gz YNWOKELNNHMNAQ-YNEHKIRRSA-N 2 1 210.365 2.106 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCC1CCCC1 ZINC000261536628 536458854 /nfs/dbraw/zinc/45/88/54/536458854.db2.gz SFGRKPPZYCEDBS-ZDUSSCGKSA-N 2 1 210.365 2.251 20 0 BEADMP COCCCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000222977784 536878773 /nfs/dbraw/zinc/87/87/73/536878773.db2.gz YZQSYCIJLHGKED-MELADBBJSA-N 2 1 242.407 2.121 20 0 BEADMP CCc1ccccc1C[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000159724815 566318674 /nfs/dbraw/zinc/31/86/74/566318674.db2.gz SCNCPAVKNVTSEA-OAHLLOKOSA-N 2 1 232.371 2.418 20 0 BEADMP CCc1ccccc1C[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000159724815 566318678 /nfs/dbraw/zinc/31/86/78/566318678.db2.gz SCNCPAVKNVTSEA-OAHLLOKOSA-N 2 1 232.371 2.418 20 0 BEADMP C[C@H](CC[N@H+]1CC[C@@H](C)C1)[NH+]1CC[C@H](C)C1 ZINC000431606913 566366226 /nfs/dbraw/zinc/36/62/26/566366226.db2.gz VQTQYAIBAKWKHT-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@H](CC[NH+]1CC[C@@H](C)C1)[N@@H+]1CC[C@H](C)C1 ZINC000431606913 566366232 /nfs/dbraw/zinc/36/62/32/566366232.db2.gz VQTQYAIBAKWKHT-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@H](CC[NH+]1CC[C@@H](C)C1)[N@H+]1CC[C@H](C)C1 ZINC000431606913 566366235 /nfs/dbraw/zinc/36/62/35/566366235.db2.gz VQTQYAIBAKWKHT-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)C(N)=[NH+]OC[C@@H]1CCCC[N@@H+]1C(C)C ZINC000853684945 588755970 /nfs/dbraw/zinc/75/59/70/588755970.db2.gz NCEQJLVDKFTTLL-LBPRGKRZSA-N 2 1 241.379 2.404 20 0 BEADMP CCC[C@H](C)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000757135097 582514305 /nfs/dbraw/zinc/51/43/05/582514305.db2.gz YKEFQTJKBYWEMV-QWHCGFSZSA-N 2 1 210.365 2.393 20 0 BEADMP N[C@H]1C[C@@H]([NH2+]CCCCCC[NH3+])c2ccccc21 ZINC000843344090 582533119 /nfs/dbraw/zinc/53/31/19/582533119.db2.gz QAEBFSLSWHGMJC-LSDHHAIUSA-N 2 1 247.386 2.240 20 0 BEADMP CC[N@@H+](CC1CC1)CC1CC[NH+](C)CC1 ZINC000892036056 582769450 /nfs/dbraw/zinc/76/94/50/582769450.db2.gz QZYUSFHFSZQLQD-UHFFFAOYSA-N 2 1 210.365 2.060 20 0 BEADMP CC(C)CCCC[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000892058646 582778942 /nfs/dbraw/zinc/77/89/42/582778942.db2.gz BMHOQRYKOZUZAI-UONOGXRCSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)CCCC[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000892058646 582778944 /nfs/dbraw/zinc/77/89/44/582778944.db2.gz BMHOQRYKOZUZAI-UONOGXRCSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1CC[C@H](C)[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000892069317 582784056 /nfs/dbraw/zinc/78/40/56/582784056.db2.gz HWQYRMNCUJPWDC-STQMWFEESA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000892222249 582808906 /nfs/dbraw/zinc/80/89/06/582808906.db2.gz QRNCGXABLWJVKY-GFCCVEGCSA-N 2 1 210.365 2.060 20 0 BEADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCc1cccs1)C2 ZINC000857086553 588886778 /nfs/dbraw/zinc/88/67/78/588886778.db2.gz LRRMGOWWVLEMJF-WCQYABFASA-N 2 1 236.384 2.104 20 0 BEADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCc1cccs1)C2 ZINC000857086555 588887165 /nfs/dbraw/zinc/88/71/65/588887165.db2.gz LRRMGOWWVLEMJF-YPMHNXCESA-N 2 1 236.384 2.104 20 0 BEADMP C[C@H]1CCSCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000894000699 583271626 /nfs/dbraw/zinc/27/16/26/583271626.db2.gz RYOGEZXFEPLNLS-LBPRGKRZSA-N 2 1 242.432 2.156 20 0 BEADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)CCS1 ZINC000894029882 583281450 /nfs/dbraw/zinc/28/14/50/583281450.db2.gz OATGVWYQRWQMDX-GFCCVEGCSA-N 2 1 242.432 2.156 20 0 BEADMP C[C@H](c1cccnc1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000738312922 583379001 /nfs/dbraw/zinc/37/90/01/583379001.db2.gz ZMFVFCHDKNEIEP-CYBMUJFWSA-N 2 1 247.386 2.416 20 0 BEADMP CC(C)(CC[N@H+]1CC[C@H](C[NH3+])C1)C1CC1 ZINC000328546364 583415009 /nfs/dbraw/zinc/41/50/09/583415009.db2.gz NRJILYPQDYKFNW-LLVKDONJSA-N 2 1 210.365 2.093 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CC[C@H](C3CCC3)C2)CC1 ZINC000894948791 583559229 /nfs/dbraw/zinc/55/92/29/583559229.db2.gz NVBKVHCUQIQPRP-HNNXBMFYSA-N 2 1 236.403 2.450 20 0 BEADMP C[C@H]1C[N@@H+](CC2(C)CC2)CCN1c1cc[nH+]cc1 ZINC000895556308 583690665 /nfs/dbraw/zinc/69/06/65/583690665.db2.gz HBNGOHXVYDBMDH-ZDUSSCGKSA-N 2 1 245.370 2.392 20 0 BEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(O)cc2)CC1(C)C ZINC000858121175 588933793 /nfs/dbraw/zinc/93/37/93/588933793.db2.gz XGKPWAJDXCWSSJ-ZDUSSCGKSA-N 2 1 248.370 2.355 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(O)cc2)CC1(C)C ZINC000858121175 588933795 /nfs/dbraw/zinc/93/37/95/588933795.db2.gz XGKPWAJDXCWSSJ-ZDUSSCGKSA-N 2 1 248.370 2.355 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC=CO2)CC1(C)C ZINC000858158540 588936112 /nfs/dbraw/zinc/93/61/12/588936112.db2.gz LFAPBTNGLSCKHV-OLZOCXBDSA-N 2 1 238.375 2.142 20 0 BEADMP CCO[C@H](C[NH2+]C[C@@H](C)CC(C)C)C[NH+](C)C ZINC000896880496 583845555 /nfs/dbraw/zinc/84/55/55/583845555.db2.gz WVKSPKIPUBGMOA-UONOGXRCSA-N 2 1 244.423 2.225 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC=CO2)CC1(C)C ZINC000858158541 588936419 /nfs/dbraw/zinc/93/64/19/588936419.db2.gz LFAPBTNGLSCKHV-QWHCGFSZSA-N 2 1 238.375 2.142 20 0 BEADMP CCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000673710694 583928120 /nfs/dbraw/zinc/92/81/20/583928120.db2.gz CRSHPCQTBSVKEG-UHFFFAOYSA-N 2 1 219.332 2.004 20 0 BEADMP F[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000865697170 584027050 /nfs/dbraw/zinc/02/70/50/584027050.db2.gz UKOXHEIBSBABER-RQJABVFESA-N 2 1 240.366 2.484 20 0 BEADMP CC[C@](C)(C[N@@H+](C)CC(C)(C)C[NH+](C)C)OC ZINC000898308224 584109426 /nfs/dbraw/zinc/10/94/26/584109426.db2.gz SVLDKSJYBRAEDT-CQSZACIVSA-N 2 1 244.423 2.321 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH2+]C/C=C\Cl)[C@@H](C)C1 ZINC000898431938 584134879 /nfs/dbraw/zinc/13/48/79/584134879.db2.gz DHNLCGQRQTUBLP-UARRTVENSA-N 2 1 216.756 2.059 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C/C=C\Cl)[C@@H](C)C1 ZINC000898431938 584134881 /nfs/dbraw/zinc/13/48/81/584134881.db2.gz DHNLCGQRQTUBLP-UARRTVENSA-N 2 1 216.756 2.059 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2NC)C1 ZINC000902078457 584520836 /nfs/dbraw/zinc/52/08/36/584520836.db2.gz LZXUXAUMRIKEJY-CYBMUJFWSA-N 2 1 247.386 2.160 20 0 BEADMP CNc1ccccc1C[NH2+]CCn1cc[nH+]c1C ZINC000902138292 584526519 /nfs/dbraw/zinc/52/65/19/584526519.db2.gz IDQUNOBVWVQIDQ-UHFFFAOYSA-N 2 1 244.342 2.023 20 0 BEADMP CNc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000902224696 584541409 /nfs/dbraw/zinc/54/14/09/584541409.db2.gz RZBKFUOZVMTZON-ZDUSSCGKSA-N 2 1 247.386 2.160 20 0 BEADMP C[C@@H](CCCC(F)(F)F)[NH2+]CC1([NH3+])CC1 ZINC000902408208 584574796 /nfs/dbraw/zinc/57/47/96/584574796.db2.gz YGRBIQORYNCTAM-QMMMGPOBSA-N 2 1 224.270 2.188 20 0 BEADMP [NH3+]C1(C[NH2+]C2CCc3ccccc3CC2)CC1 ZINC000902407177 584574484 /nfs/dbraw/zinc/57/44/84/584574484.db2.gz PXBIVQOUVPUOJQ-UHFFFAOYSA-N 2 1 230.355 2.015 20 0 BEADMP C[C@H](CCCC(F)(F)F)[NH2+]CC1([NH3+])CC1 ZINC000902408207 584574956 /nfs/dbraw/zinc/57/49/56/584574956.db2.gz YGRBIQORYNCTAM-MRVPVSSYSA-N 2 1 224.270 2.188 20 0 BEADMP Cc1cccc([C@H](C)[NH2+]CC2([NH3+])CC2)c1C ZINC000902415505 584589550 /nfs/dbraw/zinc/58/95/50/584589550.db2.gz GPXFGFJEXNENJB-LBPRGKRZSA-N 2 1 218.344 2.445 20 0 BEADMP CC[C@@H](Cc1ccccc1)[NH2+]CC1([NH3+])CC1 ZINC000902416178 584590128 /nfs/dbraw/zinc/59/01/28/584590128.db2.gz TVVWTIKWJCJCLN-ZDUSSCGKSA-N 2 1 218.344 2.089 20 0 BEADMP C[C@H](Cc1cccs1)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902443156 584598580 /nfs/dbraw/zinc/59/85/80/584598580.db2.gz DGLFVRNDYQLTER-PWSUYJOCSA-N 2 1 238.400 2.267 20 0 BEADMP C[C@H](CCc1ccco1)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902444350 584599184 /nfs/dbraw/zinc/59/91/84/584599184.db2.gz HCJZIBXUVKVOLH-DGCLKSJQSA-N 2 1 236.359 2.188 20 0 BEADMP CCCC[C@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CC1 ZINC000902414732 584600203 /nfs/dbraw/zinc/60/02/03/584600203.db2.gz ZWOITHJQOWGZHB-RYUDHWBXSA-N 2 1 210.365 2.426 20 0 BEADMP C[C@H](CCc1ccccc1)[NH2+]CC1([NH3+])CC1 ZINC000902414983 584600487 /nfs/dbraw/zinc/60/04/87/584600487.db2.gz IRBNOCMSKNMLDL-GFCCVEGCSA-N 2 1 218.344 2.089 20 0 BEADMP Cc1cccc(C[C@H]([NH2+]CC2([NH3+])CC2)C2CC2)c1 ZINC000902414624 584600751 /nfs/dbraw/zinc/60/07/51/584600751.db2.gz YRMFFAQOPGBVDT-HNNXBMFYSA-N 2 1 244.382 2.397 20 0 BEADMP Cc1cccc([C@H](C)[NH2+]CC2([NH3+])CC2)c1 ZINC000902415086 584600963 /nfs/dbraw/zinc/60/09/63/584600963.db2.gz KZLXBZBXDFWPFP-NSHDSACASA-N 2 1 204.317 2.137 20 0 BEADMP C[C@H](Cc1cccs1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902472867 584601070 /nfs/dbraw/zinc/60/10/70/584601070.db2.gz JXZMLMMMWLJCDX-VCDKRKBESA-N 2 1 236.384 2.162 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCSC(C)(C)C1 ZINC000902452837 584607904 /nfs/dbraw/zinc/60/79/04/584607904.db2.gz MLLLUVHIPXCTPJ-WOPDTQHZSA-N 2 1 242.432 2.248 20 0 BEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCC(C)(C)O1 ZINC000902462668 584612178 /nfs/dbraw/zinc/61/21/78/584612178.db2.gz XEOPIYGCJZDHKA-NEPJUHHUSA-N 2 1 240.391 2.064 20 0 BEADMP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902469040 584615329 /nfs/dbraw/zinc/61/53/29/584615329.db2.gz ODTILWIWIWNFGY-DZGBDDFRSA-N 2 1 248.345 2.239 20 0 BEADMP c1ccc2c(c1)CC[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H]1[NH2+]3)C2 ZINC000902469637 584615397 /nfs/dbraw/zinc/61/53/97/584615397.db2.gz ZJYRYKHDEQEGSR-FZKCQIBNSA-N 2 1 242.366 2.026 20 0 BEADMP Cc1ncccc1CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000902513653 584623192 /nfs/dbraw/zinc/62/31/92/584623192.db2.gz NMCKHJBKNVCCCN-DZGCQCFKSA-N 2 1 247.386 2.053 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902782855 584670647 /nfs/dbraw/zinc/67/06/47/584670647.db2.gz PFWCKJPATYNEQR-BTTYYORXSA-N 2 1 233.359 2.360 20 0 BEADMP CC(F)(F)CCC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000903426489 584761096 /nfs/dbraw/zinc/76/10/96/584761096.db2.gz MMLOLARSMKVSNR-JTQLQIEISA-N 2 1 220.307 2.139 20 0 BEADMP C[C@H](F)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903178617 584733126 /nfs/dbraw/zinc/73/31/26/584733126.db2.gz XQNLUYXSNNQOMW-CRMUJIHISA-N 2 1 240.366 2.482 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)[C@@H](C)C1 ZINC000903255664 584739805 /nfs/dbraw/zinc/73/98/05/584739805.db2.gz YSZZSTBPMUCYSR-ARSDKDGVSA-N 2 1 236.403 2.351 20 0 BEADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000903255685 584740062 /nfs/dbraw/zinc/74/00/62/584740062.db2.gz ZEXTZWBFZORWJL-ZPHYEXBNSA-N 2 1 248.414 2.493 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000903319500 584746190 /nfs/dbraw/zinc/74/61/90/584746190.db2.gz VAKYJBIYYMWXEY-SPETUVNMSA-N 2 1 234.387 2.105 20 0 BEADMP COC(C)(C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000903330427 584753856 /nfs/dbraw/zinc/75/38/56/584753856.db2.gz JZYHAKHGSSAZBV-VXGBXAGGSA-N 2 1 242.407 2.262 20 0 BEADMP COC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000903330425 584753901 /nfs/dbraw/zinc/75/39/01/584753901.db2.gz JZYHAKHGSSAZBV-NWDGAFQWSA-N 2 1 242.407 2.262 20 0 BEADMP Cc1cc([C@@H]2CCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)no1 ZINC000903430932 584761682 /nfs/dbraw/zinc/76/16/82/584761682.db2.gz JMFCNMPUVXMELC-DYEKYZERSA-N 2 1 249.358 2.247 20 0 BEADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1Cc2ccccc2C1 ZINC000903432646 584762066 /nfs/dbraw/zinc/76/20/66/584762066.db2.gz IQIHPHGYHRVZKV-DOMZBBRYSA-N 2 1 244.382 2.213 20 0 BEADMP Cc1cccc2c1CC[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)C2 ZINC000903434601 584762386 /nfs/dbraw/zinc/76/23/86/584762386.db2.gz IPQJHQSKIQSBGG-HIFRSBDPSA-N 2 1 244.382 2.209 20 0 BEADMP Cl/C=C\C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903445129 584769589 /nfs/dbraw/zinc/76/95/89/584769589.db2.gz RSWNVAZPVMPOLN-XDTAVLJNSA-N 2 1 240.778 2.486 20 0 BEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCCC(C)(F)F ZINC000903455141 584773086 /nfs/dbraw/zinc/77/30/86/584773086.db2.gz RDNPXDZKNPDHET-OUAUKWLOSA-N 2 1 234.334 2.398 20 0 BEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCCC(C)(F)F ZINC000903455142 584773361 /nfs/dbraw/zinc/77/33/61/584773361.db2.gz RDNPXDZKNPDHET-VWYCJHECSA-N 2 1 234.334 2.398 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC2(CCCC2)C1 ZINC000903454800 584773411 /nfs/dbraw/zinc/77/34/11/584773411.db2.gz JXHRRVUQRZEXJH-KGLIPLIRSA-N 2 1 236.403 2.498 20 0 BEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCC(C)(F)F ZINC000903455319 584773869 /nfs/dbraw/zinc/77/38/69/584773869.db2.gz UGPVUNLCBXPZGK-SECBINFHSA-N 2 1 222.323 2.385 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+](CC(F)F)C2CCC2)C1 ZINC000903481978 584778936 /nfs/dbraw/zinc/77/89/36/584778936.db2.gz SKILWADZHCUJNG-VHSXEESVSA-N 2 1 232.318 2.233 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@@H+](CC(F)F)C2CCC2)C1 ZINC000903481978 584778937 /nfs/dbraw/zinc/77/89/37/584778937.db2.gz SKILWADZHCUJNG-VHSXEESVSA-N 2 1 232.318 2.233 20 0 BEADMP c1ccc(CCC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000903466421 584779984 /nfs/dbraw/zinc/77/99/84/584779984.db2.gz SGYYCXRLEYBDEP-OAHLLOKOSA-N 2 1 244.382 2.493 20 0 BEADMP C[C@@](C[NH3+])([NH2+]Cc1ccccc1CF)C1CC1 ZINC000903716933 584792330 /nfs/dbraw/zinc/79/23/30/584792330.db2.gz DUUJSISYSILQBU-AWEZNQCLSA-N 2 1 236.334 2.373 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccccc2CF)CC[C@@H]1[NH3+] ZINC000903716020 584794183 /nfs/dbraw/zinc/79/41/83/584794183.db2.gz GCIMUIGWBYCARK-RISCZKNCSA-N 2 1 236.334 2.325 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccccc2CF)CC[C@H]1[NH3+] ZINC000903716018 584794254 /nfs/dbraw/zinc/79/42/54/584794254.db2.gz GCIMUIGWBYCARK-BXUZGUMPSA-N 2 1 236.334 2.325 20 0 BEADMP CC1CC(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000903751210 584795412 /nfs/dbraw/zinc/79/54/12/584795412.db2.gz FTKYSOJGLFOXSX-JXQTWKCFSA-N 2 1 222.376 2.108 20 0 BEADMP Cc1cc(C)nc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000903751401 584795707 /nfs/dbraw/zinc/79/57/07/584795707.db2.gz DTOLIDUJHZZQQW-CQSZACIVSA-N 2 1 247.386 2.176 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2CF)C1 ZINC000903744716 584796724 /nfs/dbraw/zinc/79/67/24/584796724.db2.gz XMXQSWWXBFPOSJ-AAEUAGOBSA-N 2 1 236.334 2.325 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2CF)C1 ZINC000903744718 584796744 /nfs/dbraw/zinc/79/67/44/584796744.db2.gz XMXQSWWXBFPOSJ-WCQYABFASA-N 2 1 236.334 2.325 20 0 BEADMP CC1CC(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)C1 ZINC000903762546 584797637 /nfs/dbraw/zinc/79/76/37/584797637.db2.gz AECIWTCCRRAILJ-MOKVOYLWSA-N 2 1 236.403 2.497 20 0 BEADMP C[N@@H+](C[C@H]1CC1(C)C)C[C@H]1CCCC[NH2+]C1 ZINC000903769893 584797972 /nfs/dbraw/zinc/79/79/72/584797972.db2.gz QXQRTESYMMNWKE-QWHCGFSZSA-N 2 1 224.392 2.354 20 0 BEADMP NC[C@@]12CC[C@H]1CCC[N@@H+]2Cc1ccccc1 ZINC000903794766 584798985 /nfs/dbraw/zinc/79/89/85/584798985.db2.gz DMNDTKGLUUIWSU-CABCVRRESA-N 2 1 230.355 2.390 20 0 BEADMP NC[C@@]12CC[C@H]1CCC[N@H+]2Cc1ccccc1 ZINC000903794766 584798986 /nfs/dbraw/zinc/79/89/86/584798986.db2.gz DMNDTKGLUUIWSU-CABCVRRESA-N 2 1 230.355 2.390 20 0 BEADMP [NH3+]C[C@@]12CC[C@H]1CCC[N@@H+]2Cc1ccccc1 ZINC000903794766 584798987 /nfs/dbraw/zinc/79/89/87/584798987.db2.gz DMNDTKGLUUIWSU-CABCVRRESA-N 2 1 230.355 2.390 20 0 BEADMP [NH3+]C[C@@]12CC[C@H]1CCC[N@H+]2Cc1ccccc1 ZINC000903794766 584798988 /nfs/dbraw/zinc/79/89/88/584798988.db2.gz DMNDTKGLUUIWSU-CABCVRRESA-N 2 1 230.355 2.390 20 0 BEADMP NC[C@]12CC[C@@H]1CCC[N@@H+]2Cc1ccccc1 ZINC000903794769 584799255 /nfs/dbraw/zinc/79/92/55/584799255.db2.gz DMNDTKGLUUIWSU-LSDHHAIUSA-N 2 1 230.355 2.390 20 0 BEADMP NC[C@]12CC[C@@H]1CCC[N@H+]2Cc1ccccc1 ZINC000903794769 584799258 /nfs/dbraw/zinc/79/92/58/584799258.db2.gz DMNDTKGLUUIWSU-LSDHHAIUSA-N 2 1 230.355 2.390 20 0 BEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2Cc1ccccc1 ZINC000903794769 584799259 /nfs/dbraw/zinc/79/92/59/584799259.db2.gz DMNDTKGLUUIWSU-LSDHHAIUSA-N 2 1 230.355 2.390 20 0 BEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2Cc1ccccc1 ZINC000903794769 584799261 /nfs/dbraw/zinc/79/92/61/584799261.db2.gz DMNDTKGLUUIWSU-LSDHHAIUSA-N 2 1 230.355 2.390 20 0 BEADMP CC1CC(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)C1 ZINC000903780119 584799912 /nfs/dbraw/zinc/79/99/12/584799912.db2.gz DJEQCZULVTYTJG-CLRIEMFWSA-N 2 1 222.376 2.106 20 0 BEADMP CC1CC(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)C1 ZINC000903780119 584799913 /nfs/dbraw/zinc/79/99/13/584799913.db2.gz DJEQCZULVTYTJG-CLRIEMFWSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@]12C[N@@H+](CCC[NH2+]C3CC3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903826482 584804924 /nfs/dbraw/zinc/80/49/24/584804924.db2.gz KGPPPWRCOZRNLD-LQKXBSAESA-N 2 1 248.414 2.497 20 0 BEADMP C[C@]12C[N@@H+](C[C@@H]3CC[C@H]([NH3+])C3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903826310 584804965 /nfs/dbraw/zinc/80/49/65/584804965.db2.gz HVLHWGGPEVHFIH-YUDUXTHKSA-N 2 1 248.414 2.482 20 0 BEADMP C[C@]12C[N@@H+](CC[C@@H]3CC[NH2+]C3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903827195 584805011 /nfs/dbraw/zinc/80/50/11/584805011.db2.gz QGEBYSHKSWLOAP-ARKGTOAJSA-N 2 1 248.414 2.354 20 0 BEADMP C[C@]12C[N@@H+](CCC[NH2+]C3CC3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903826953 584805032 /nfs/dbraw/zinc/80/50/32/584805032.db2.gz OYHYBMAYDPLOCR-LQKXBSAESA-N 2 1 246.398 2.273 20 0 BEADMP C[C@@H]1CSCCC[N@H+]1CCCCCC[NH3+] ZINC000903829788 584805739 /nfs/dbraw/zinc/80/57/39/584805739.db2.gz KMWJYMVEMRPQSZ-GFCCVEGCSA-N 2 1 230.421 2.333 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@H]2CC[C@@]21CN ZINC000903856531 584809490 /nfs/dbraw/zinc/80/94/90/584809490.db2.gz ABFUZHQDEOEACN-CHWSQXEVSA-N 2 1 208.349 2.156 20 0 BEADMP CC(C)=CCC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903856531 584809491 /nfs/dbraw/zinc/80/94/91/584809491.db2.gz ABFUZHQDEOEACN-CHWSQXEVSA-N 2 1 208.349 2.156 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903856531 584809493 /nfs/dbraw/zinc/80/94/93/584809493.db2.gz ABFUZHQDEOEACN-CHWSQXEVSA-N 2 1 208.349 2.156 20 0 BEADMP CC(F)(F)CCC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903858137 584810165 /nfs/dbraw/zinc/81/01/65/584810165.db2.gz HFYWIHGNCXIREB-ZYHUDNBSSA-N 2 1 232.318 2.235 20 0 BEADMP CC(F)(F)CCC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903858137 584810166 /nfs/dbraw/zinc/81/01/66/584810166.db2.gz HFYWIHGNCXIREB-ZYHUDNBSSA-N 2 1 232.318 2.235 20 0 BEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCC1CCCC1 ZINC000903856891 584810257 /nfs/dbraw/zinc/81/02/57/584810257.db2.gz SJXYRTFCBFRTBN-KBPBESRZSA-N 2 1 222.376 2.380 20 0 BEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCC1CCCC1 ZINC000903856891 584810258 /nfs/dbraw/zinc/81/02/58/584810258.db2.gz SJXYRTFCBFRTBN-KBPBESRZSA-N 2 1 222.376 2.380 20 0 BEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCC1CCCC1 ZINC000903856894 584810357 /nfs/dbraw/zinc/81/03/57/584810357.db2.gz SJXYRTFCBFRTBN-KGLIPLIRSA-N 2 1 222.376 2.380 20 0 BEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCC1CCCC1 ZINC000903856894 584810359 /nfs/dbraw/zinc/81/03/59/584810359.db2.gz SJXYRTFCBFRTBN-KGLIPLIRSA-N 2 1 222.376 2.380 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903857368 584810495 /nfs/dbraw/zinc/81/04/95/584810495.db2.gz DKWPIWQFQJAFRP-WZRBSPASSA-N 2 1 246.345 2.481 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903857368 584810496 /nfs/dbraw/zinc/81/04/96/584810496.db2.gz DKWPIWQFQJAFRP-WZRBSPASSA-N 2 1 246.345 2.481 20 0 BEADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCc1ccccc1 ZINC000903859043 584811335 /nfs/dbraw/zinc/81/13/35/584811335.db2.gz ZAUBUBLPLPLYJI-LSDHHAIUSA-N 2 1 230.355 2.042 20 0 BEADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCc1ccccc1 ZINC000903859043 584811336 /nfs/dbraw/zinc/81/13/36/584811336.db2.gz ZAUBUBLPLPLYJI-LSDHHAIUSA-N 2 1 230.355 2.042 20 0 BEADMP C(CC1CCC1)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903870351 584814461 /nfs/dbraw/zinc/81/44/61/584814461.db2.gz NMDJKVNUTMHLAB-AWEZNQCLSA-N 2 1 222.376 2.395 20 0 BEADMP C(CC1CCC1)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903870351 584814463 /nfs/dbraw/zinc/81/44/63/584814463.db2.gz NMDJKVNUTMHLAB-AWEZNQCLSA-N 2 1 222.376 2.395 20 0 BEADMP CCC(C)(CC)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903897384 584819547 /nfs/dbraw/zinc/81/95/47/584819547.db2.gz CMJIEOIVHHQHQM-MRVPVSSYSA-N 2 1 208.296 2.137 20 0 BEADMP CC(C)([NH3+])CC[NH2+]Cc1cccc(F)c1F ZINC000903939142 584823090 /nfs/dbraw/zinc/82/30/90/584823090.db2.gz RILGVICZDVGNBR-UHFFFAOYSA-N 2 1 228.286 2.182 20 0 BEADMP CC[C@@H](C[NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000903960329 584828130 /nfs/dbraw/zinc/82/81/30/584828130.db2.gz DWCODDCNDVRPPN-VNHYZAJKSA-N 2 1 232.371 2.378 20 0 BEADMP C[C@@H](CC[NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000903964357 584834208 /nfs/dbraw/zinc/83/42/08/584834208.db2.gz NXZIVEGOPCKAOC-GZBFAFLISA-N 2 1 232.371 2.378 20 0 BEADMP C[C@@H](C[NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1 ZINC000903964042 584834237 /nfs/dbraw/zinc/83/42/37/584834237.db2.gz KAHNOTNYOUKPRT-MISXGVKJSA-N 2 1 236.334 2.127 20 0 BEADMP CC(C)(/C=C/Cl)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903987638 584836214 /nfs/dbraw/zinc/83/62/14/584836214.db2.gz ICQLYINYBVOBJF-KGGZQZJCSA-N 2 1 226.698 2.090 20 0 BEADMP CCc1ccc(C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904302279 584861860 /nfs/dbraw/zinc/86/18/60/584861860.db2.gz UIXWBESBMADBKX-GASCZTMLSA-N 2 1 232.371 2.418 20 0 BEADMP C[N@@H+](CCCOc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904311438 584862525 /nfs/dbraw/zinc/86/25/25/584862525.db2.gz BNHNSVZUROKYQY-OKILXGFUSA-N 2 1 248.370 2.125 20 0 BEADMP CCS[C@@H]1CCCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904321366 584863900 /nfs/dbraw/zinc/86/39/00/584863900.db2.gz XUAKCJGQIJATFY-FRRDWIJNSA-N 2 1 242.432 2.331 20 0 BEADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904321320 584864130 /nfs/dbraw/zinc/86/41/30/584864130.db2.gz WKZXERGMKPHTTR-DGTMBMJNSA-N 2 1 222.376 2.377 20 0 BEADMP C[C@H]1Cc2ccccc2C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904323756 584865018 /nfs/dbraw/zinc/86/50/18/584865018.db2.gz RXPLEBMVAOTOHE-SLEUVZQESA-N 2 1 230.355 2.171 20 0 BEADMP CCSCC[C@@H](C)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904327011 584865359 /nfs/dbraw/zinc/86/53/59/584865359.db2.gz WSHBILUMXCZOJZ-UTUOFQBUSA-N 2 1 230.421 2.187 20 0 BEADMP CCS[C@H]1CC[C@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325959 584865590 /nfs/dbraw/zinc/86/55/90/584865590.db2.gz AAKKGWVSOXTOGV-RNJOBUHISA-N 2 1 242.432 2.330 20 0 BEADMP C[C@H]1CC(C)(C)C[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000904372356 584873742 /nfs/dbraw/zinc/87/37/42/584873742.db2.gz CBIVBUCLUMQUHB-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)C[N@H+](Cc1ccccn1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904388407 584874879 /nfs/dbraw/zinc/87/48/79/584874879.db2.gz IVDCSCLAGOGUCB-OKILXGFUSA-N 2 1 247.386 2.277 20 0 BEADMP C[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)Cc2ccccc21 ZINC000904383809 584877119 /nfs/dbraw/zinc/87/71/19/584877119.db2.gz DXMXDHYKGPHWPQ-SGMGOOAPSA-N 2 1 230.355 2.343 20 0 BEADMP C/C=C\C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904381648 584877235 /nfs/dbraw/zinc/87/72/35/584877235.db2.gz QRVGJGHZWPZDOR-IYIFEETDSA-N 2 1 222.376 2.402 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000904406269 584878281 /nfs/dbraw/zinc/87/82/81/584878281.db2.gz DKLIQDPFLWVDGP-CYBMUJFWSA-N 2 1 244.382 2.346 20 0 BEADMP C[N@H+](CCCF)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904388194 584878317 /nfs/dbraw/zinc/87/83/17/584878317.db2.gz FZIOKRFYDWDYMN-NSHDSACASA-N 2 1 218.360 2.431 20 0 BEADMP C[N@@H+](CCCF)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904388194 584878319 /nfs/dbraw/zinc/87/83/19/584878319.db2.gz FZIOKRFYDWDYMN-NSHDSACASA-N 2 1 218.360 2.431 20 0 BEADMP C[C@@H]1C[N@@H+](CC2(C)CCC2)CC[C@H]1C[NH3+] ZINC000904409384 584879157 /nfs/dbraw/zinc/87/91/57/584879157.db2.gz ASWKSAOBKIMVPI-NEPJUHHUSA-N 2 1 210.365 2.093 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccsc2)CC[C@H]1C[NH3+] ZINC000904410875 584879289 /nfs/dbraw/zinc/87/92/89/584879289.db2.gz HBLFFCDXSVGHKK-JQWIXIFHSA-N 2 1 224.373 2.165 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000904412779 584879689 /nfs/dbraw/zinc/87/96/89/584879689.db2.gz XPOVGVRLOZEMHS-PWSUYJOCSA-N 2 1 238.400 2.473 20 0 BEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000839181971 585096697 /nfs/dbraw/zinc/09/66/97/585096697.db2.gz KVZGWZUMVYZUQT-KBPBESRZSA-N 2 1 238.375 2.001 20 0 BEADMP Cc1nc(NCC[NH2+]C(C)(C)C)c(C)c(C)[nH+]1 ZINC000761889681 585422368 /nfs/dbraw/zinc/42/23/68/585422368.db2.gz ORZXAKFDAHFFJQ-UHFFFAOYSA-N 2 1 236.363 2.202 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(C)o1 ZINC000769403142 585555743 /nfs/dbraw/zinc/55/57/43/585555743.db2.gz FDLSKPUPUKUGBH-CYBMUJFWSA-N 2 1 236.359 2.280 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(C)o1 ZINC000769403142 585555744 /nfs/dbraw/zinc/55/57/44/585555744.db2.gz FDLSKPUPUKUGBH-CYBMUJFWSA-N 2 1 236.359 2.280 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCC=CO2)C1 ZINC000774988687 585670118 /nfs/dbraw/zinc/67/01/18/585670118.db2.gz FNNIGHGXKYCZPY-UONOGXRCSA-N 2 1 238.375 2.001 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000774988684 585670205 /nfs/dbraw/zinc/67/02/05/585670205.db2.gz FNNIGHGXKYCZPY-KBPBESRZSA-N 2 1 238.375 2.001 20 0 BEADMP C[C@@H](C1CC1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000782182456 585810090 /nfs/dbraw/zinc/81/00/90/585810090.db2.gz HDFFEUIWFGNBND-QWHCGFSZSA-N 2 1 222.376 2.203 20 0 BEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C2CC2)C1 ZINC000782185548 585810259 /nfs/dbraw/zinc/81/02/59/585810259.db2.gz HGSNFLPSTGCFKQ-STQMWFEESA-N 2 1 224.392 2.449 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C2CC2)C1 ZINC000782185548 585810260 /nfs/dbraw/zinc/81/02/60/585810260.db2.gz HGSNFLPSTGCFKQ-STQMWFEESA-N 2 1 224.392 2.449 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C2CC2)C1 ZINC000782185548 585810261 /nfs/dbraw/zinc/81/02/61/585810261.db2.gz HGSNFLPSTGCFKQ-STQMWFEESA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H](C1CC1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000782182457 585810324 /nfs/dbraw/zinc/81/03/24/585810324.db2.gz HDFFEUIWFGNBND-STQMWFEESA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H](C1CC1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000782184866 585810555 /nfs/dbraw/zinc/81/05/55/585810555.db2.gz GPJOHAPBEWCBOF-JSGCOSHPSA-N 2 1 236.403 2.449 20 0 BEADMP C[C@@H](C1CC1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000782184866 585810556 /nfs/dbraw/zinc/81/05/56/585810556.db2.gz GPJOHAPBEWCBOF-JSGCOSHPSA-N 2 1 236.403 2.449 20 0 BEADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)C2CC2)C1 ZINC000782184313 585810680 /nfs/dbraw/zinc/81/06/80/585810680.db2.gz CMYOUDDLXHQEMN-CHWSQXEVSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[C@@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782183267 585810840 /nfs/dbraw/zinc/81/08/40/585810840.db2.gz JRAPDXNPCIWQKA-GFCCVEGCSA-N 2 1 212.381 2.305 20 0 BEADMP CC[C@@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000788471701 585925202 /nfs/dbraw/zinc/92/52/02/585925202.db2.gz YBLXCRTWAFKZEW-CYBMUJFWSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccoc2)CC1 ZINC000789559617 585944172 /nfs/dbraw/zinc/94/41/72/585944172.db2.gz QWUFVCUONZXTBJ-UHFFFAOYSA-N 2 1 234.343 2.340 20 0 BEADMP CCN1CCC([N@@H+](C)CCC(=O)C(C)C)CC1 ZINC000808732689 586485588 /nfs/dbraw/zinc/48/55/88/586485588.db2.gz IXIPAYHTJBBSKP-UHFFFAOYSA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)Oc1cccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000817890479 586831852 /nfs/dbraw/zinc/83/18/52/586831852.db2.gz YOCDBMYACGGPKW-CABCVRRESA-N 2 1 248.370 2.443 20 0 BEADMP CCN(C)c1ccccc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000817902276 586835794 /nfs/dbraw/zinc/83/57/94/586835794.db2.gz MGVOACJFJVORJH-KBPBESRZSA-N 2 1 247.386 2.112 20 0 BEADMP CCN(C)c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000817902278 586836467 /nfs/dbraw/zinc/83/64/67/586836467.db2.gz MGVOACJFJVORJH-UONOGXRCSA-N 2 1 247.386 2.112 20 0 BEADMP CCN(C)c1ccccc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000817902279 586836525 /nfs/dbraw/zinc/83/65/25/586836525.db2.gz MGVOACJFJVORJH-ZIAGYGMSSA-N 2 1 247.386 2.112 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Cl)nc1 ZINC000817924393 586840917 /nfs/dbraw/zinc/84/09/17/586840917.db2.gz WJUUYVCWQCTPJM-SECBINFHSA-N 2 1 239.750 2.138 20 0 BEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(F)cnc1Cl ZINC000817933373 586843680 /nfs/dbraw/zinc/84/36/80/586843680.db2.gz BYNNXETTWLBXTK-HTQZYQBOSA-N 2 1 245.729 2.090 20 0 BEADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cccnc1Cl ZINC000817953705 586849319 /nfs/dbraw/zinc/84/93/19/586849319.db2.gz TYMYBQHKUFPCKZ-IUCAKERBSA-N 2 1 227.739 2.123 20 0 BEADMP C[C@H](CSC(C)(C)C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000817959566 586851778 /nfs/dbraw/zinc/85/17/78/586851778.db2.gz GZZUJWJXEFIZLN-KOLCDFICSA-N 2 1 230.421 2.234 20 0 BEADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000817964494 586853731 /nfs/dbraw/zinc/85/37/31/586853731.db2.gz ANFFFPLARWZGJU-HUUCEWRRSA-N 2 1 230.355 2.309 20 0 BEADMP CC[C@H](Cc1cccs1)[NH2+][C@@H](C)C[NH3+] ZINC000817970372 586858336 /nfs/dbraw/zinc/85/83/36/586858336.db2.gz SPRJVBVPWHXFNW-VHSXEESVSA-N 2 1 212.362 2.006 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccc2c(c1)CCO2 ZINC000817971681 586859547 /nfs/dbraw/zinc/85/95/47/586859547.db2.gz OXUCHWOQCHALGT-ZWNOBZJWSA-N 2 1 234.343 2.009 20 0 BEADMP CCOc1cccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])c1 ZINC000817972164 586859806 /nfs/dbraw/zinc/85/98/06/586859806.db2.gz UQKZXDFZBOSAMF-MNOVXSKESA-N 2 1 222.332 2.083 20 0 BEADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000817973508 586860857 /nfs/dbraw/zinc/86/08/57/586860857.db2.gz UQMXLJZBDOZWAO-NXEZZACHSA-N 2 1 210.296 2.132 20 0 BEADMP CCc1[nH+]ccn1CCCCCCC[NH3+] ZINC000818620118 586907449 /nfs/dbraw/zinc/90/74/49/586907449.db2.gz RLCKZAJWBBAEAL-UHFFFAOYSA-N 2 1 209.337 2.355 20 0 BEADMP Cc1cccc2c1CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000823596473 587232421 /nfs/dbraw/zinc/23/24/21/587232421.db2.gz NRZZWZZWLAXXDL-UHFFFAOYSA-N 2 1 244.382 2.353 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CSC[C@@H]2C)C1 ZINC000823736913 587238655 /nfs/dbraw/zinc/23/86/55/587238655.db2.gz OPBQWUZRPJEWLH-YNEHKIRRSA-N 2 1 242.432 2.059 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CSC[C@H]2C)C1 ZINC000823736911 587238740 /nfs/dbraw/zinc/23/87/40/587238740.db2.gz OPBQWUZRPJEWLH-UPJWGTAASA-N 2 1 242.432 2.059 20 0 BEADMP CC[C@@H]1C[C@H]([NH2+]CC[N@H+](CC)C(C)C)CCO1 ZINC000823756867 587239747 /nfs/dbraw/zinc/23/97/47/587239747.db2.gz DIXNYOBGUOGAEN-ZIAGYGMSSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@@H]1C[C@H]([NH2+]CC[N@@H+](CC)C(C)C)CCO1 ZINC000823756867 587239749 /nfs/dbraw/zinc/23/97/49/587239749.db2.gz DIXNYOBGUOGAEN-ZIAGYGMSSA-N 2 1 242.407 2.264 20 0 BEADMP C[N@@H+](CCC[NH2+][C@@H]1CCOC1)C1CCCCC1 ZINC000104064887 587930193 /nfs/dbraw/zinc/93/01/93/587930193.db2.gz RQGGDWVDYWKZGQ-CYBMUJFWSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cncc2ccccc21 ZINC000841076730 587943835 /nfs/dbraw/zinc/94/38/35/587943835.db2.gz NIKLTQSTDDILIP-GHMZBOCLSA-N 2 1 229.327 2.060 20 0 BEADMP Cc1cc([C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)no1 ZINC000842471444 588029331 /nfs/dbraw/zinc/02/93/31/588029331.db2.gz BJRKOSCIOVSKER-TZMCWYRMSA-N 2 1 249.358 2.120 20 0 BEADMP N[C@@H]1C[C@H]([NH2+]CCCCCC[NH3+])c2ccccc21 ZINC000843344087 588101440 /nfs/dbraw/zinc/10/14/40/588101440.db2.gz QAEBFSLSWHGMJC-CABCVRRESA-N 2 1 247.386 2.240 20 0 BEADMP C[N@@H+](CCCCCCC[NH3+])C1CCC([NH3+])CC1 ZINC000843354930 588103320 /nfs/dbraw/zinc/10/33/20/588103320.db2.gz MBZDPKAUEJFDHM-UHFFFAOYSA-N 3 1 241.423 2.097 20 0 BEADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCc2ccccc2C1 ZINC000843358333 588103638 /nfs/dbraw/zinc/10/36/38/588103638.db2.gz KYGNBVCLBFKWFG-CJNGLKHVSA-N 2 1 244.382 2.085 20 0 BEADMP [NH3+]CCCCCCC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000843384587 588105809 /nfs/dbraw/zinc/10/58/09/588105809.db2.gz UKZITKRQDMAKEO-AWEZNQCLSA-N 2 1 241.423 2.099 20 0 BEADMP CC[N@@H+](CCCCCC[NH3+])CCc1ccccn1 ZINC000846219889 588260724 /nfs/dbraw/zinc/26/07/24/588260724.db2.gz AYRQJJSNSZZEGY-UHFFFAOYSA-N 2 1 249.402 2.465 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000846219038 588260849 /nfs/dbraw/zinc/26/08/49/588260849.db2.gz DFPBIWTYDBQHEH-UONOGXRCSA-N 2 1 240.391 2.006 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C=CCC2)[C@@H](C)C1 ZINC000850512180 588555896 /nfs/dbraw/zinc/55/58/96/588555896.db2.gz XFVUSODSKGYYES-AVGNSLFASA-N 2 1 208.349 2.025 20 0 BEADMP CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000863546709 589296166 /nfs/dbraw/zinc/29/61/66/589296166.db2.gz MZVLZKLQHUQNNS-MROQNXINSA-N 2 1 210.365 2.151 20 0 BEADMP C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000863547671 589298421 /nfs/dbraw/zinc/29/84/21/589298421.db2.gz UYSSBAYJONYPFM-GARJFASQSA-N 2 1 230.421 2.247 20 0 BEADMP C[C@H]([NH3+])C[N@@H+](C)CC[C@H]1CCC[C@@H](C)C1 ZINC000863567089 589299564 /nfs/dbraw/zinc/29/95/64/589299564.db2.gz AXNAUSJGABEUBV-FRRDWIJNSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@H]([NH3+])C[N@H+](C)CC[C@@H]1CCc2ccccc21 ZINC000863569128 589300121 /nfs/dbraw/zinc/30/01/21/589300121.db2.gz SDFTWCNTNVEOCI-JSGCOSHPSA-N 2 1 232.371 2.386 20 0 BEADMP C[C@H]([NH3+])C[N@@H+](C)CC[C@@H]1CCc2ccccc21 ZINC000863569128 589300123 /nfs/dbraw/zinc/30/01/23/589300123.db2.gz SDFTWCNTNVEOCI-JSGCOSHPSA-N 2 1 232.371 2.386 20 0 BEADMP CCC(CC)NC(=[NH2+])NCC[N@@H+](CC)C(C)C ZINC000864456738 589367611 /nfs/dbraw/zinc/36/76/11/589367611.db2.gz LDALOMWUYSSBAE-UHFFFAOYSA-N 2 1 242.411 2.019 20 0 BEADMP C[N@@H+](CC1CC[NH+](C)CC1)C1CCCC1 ZINC000120089507 589375773 /nfs/dbraw/zinc/37/57/73/589375773.db2.gz ADNLKLCHQZWTTL-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](SC)C2)[C@@H](C)C1 ZINC000866486623 589496605 /nfs/dbraw/zinc/49/66/05/589496605.db2.gz MPAZCTVLTBBWCJ-ZDEQEGDKSA-N 2 1 242.432 2.200 20 0 BEADMP N[C@H]1CCCCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000866671695 589510653 /nfs/dbraw/zinc/51/06/53/589510653.db2.gz YLVZRVORNFAXNO-AWEZNQCLSA-N 2 1 241.423 2.099 20 0 BEADMP [NH3+]CCCCCCCN1CCCCC[C@H]([NH3+])C1 ZINC000866671695 589510655 /nfs/dbraw/zinc/51/06/55/589510655.db2.gz YLVZRVORNFAXNO-AWEZNQCLSA-N 2 1 241.423 2.099 20 0 BEADMP C[N@H+](Cc1ccc2cc[nH]c2c1)C[C@@H]1CC[NH2+]C1 ZINC000866717785 589515130 /nfs/dbraw/zinc/51/51/30/589515130.db2.gz OYRVFUYAKYPBOD-CYBMUJFWSA-N 2 1 243.354 2.209 20 0 BEADMP C(C[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21)C1CCC1 ZINC000866723066 589515406 /nfs/dbraw/zinc/51/54/06/589515406.db2.gz GAOFZTFDZRLYDB-CHWSQXEVSA-N 2 1 208.349 2.003 20 0 BEADMP C(C[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21)C1CCC1 ZINC000866723066 589515408 /nfs/dbraw/zinc/51/54/08/589515408.db2.gz GAOFZTFDZRLYDB-CHWSQXEVSA-N 2 1 208.349 2.003 20 0 BEADMP C(CC1CC1)C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866725078 589516167 /nfs/dbraw/zinc/51/61/67/589516167.db2.gz QNEKGLNEYCWXJB-QWHCGFSZSA-N 2 1 208.349 2.003 20 0 BEADMP C(CC1CC1)C[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866725078 589516169 /nfs/dbraw/zinc/51/61/69/589516169.db2.gz QNEKGLNEYCWXJB-QWHCGFSZSA-N 2 1 208.349 2.003 20 0 BEADMP C(CC1CC1)C[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866725076 589516437 /nfs/dbraw/zinc/51/64/37/589516437.db2.gz QNEKGLNEYCWXJB-OLZOCXBDSA-N 2 1 208.349 2.003 20 0 BEADMP C(CC1CC1)C[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866725076 589516438 /nfs/dbraw/zinc/51/64/38/589516438.db2.gz QNEKGLNEYCWXJB-OLZOCXBDSA-N 2 1 208.349 2.003 20 0 BEADMP CC[N@H+](CC[NH2+][C@H]1CCOC(C)(C)C1)C(C)C ZINC000872030405 589857742 /nfs/dbraw/zinc/85/77/42/589857742.db2.gz DYHPEIRJYFLAJK-ZDUSSCGKSA-N 2 1 242.407 2.264 20 0 BEADMP CC[N@@H+](CC[NH2+][C@H]1CCOC(C)(C)C1)C(C)C ZINC000872030405 589857746 /nfs/dbraw/zinc/85/77/46/589857746.db2.gz DYHPEIRJYFLAJK-ZDUSSCGKSA-N 2 1 242.407 2.264 20 0 BEADMP COCC1([N@@H+](C)CCCCCC[NH3+])CCC1 ZINC000872157640 589886214 /nfs/dbraw/zinc/88/62/14/589886214.db2.gz OVXBXKLQUIXGQS-UHFFFAOYSA-N 2 1 228.380 2.006 20 0 BEADMP CC[N@H+]1CCC[C@@H]1CNc1cc[nH+]cc1C1CC1 ZINC000872388504 589930993 /nfs/dbraw/zinc/93/09/93/589930993.db2.gz RQVNVDRCWURHFV-CYBMUJFWSA-N 2 1 245.370 2.277 20 0 BEADMP c1cc(N[C@@H]2CC[N@H+](C3CC3)C2)c(C2CC2)c[nH+]1 ZINC000872422317 589938617 /nfs/dbraw/zinc/93/86/17/589938617.db2.gz KNMJMIIATQXQJS-GFCCVEGCSA-N 2 1 243.354 2.030 20 0 BEADMP CC(C)[N@@H+](C)CCNc1cc[nH+]cc1C1CC1 ZINC000872439916 589939927 /nfs/dbraw/zinc/93/99/27/589939927.db2.gz SSKPJDRGELKRIM-UHFFFAOYSA-N 2 1 233.359 2.133 20 0 BEADMP C[N@@H+]1CC=C(CNc2cc[nH+]cc2C2CC2)CC1 ZINC000872502819 589945085 /nfs/dbraw/zinc/94/50/85/589945085.db2.gz PZMUVVXOHCRVIJ-UHFFFAOYSA-N 2 1 243.354 2.055 20 0 BEADMP Cc1cc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc[nH+]1 ZINC000872780118 589969772 /nfs/dbraw/zinc/96/97/72/589969772.db2.gz JQLNXHOTOOJGPE-KGLIPLIRSA-N 2 1 231.343 2.063 20 0 BEADMP Cc1cc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc[nH+]1 ZINC000872780120 589969828 /nfs/dbraw/zinc/96/98/28/589969828.db2.gz JQLNXHOTOOJGPE-ZIAGYGMSSA-N 2 1 231.343 2.063 20 0 BEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC2(C)CC2)C1 ZINC000873223961 590001295 /nfs/dbraw/zinc/00/12/95/590001295.db2.gz VTVJESDEZYHQLR-CQSZACIVSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)C(C)(F)F ZINC000873253147 590009631 /nfs/dbraw/zinc/00/96/31/590009631.db2.gz UMYAYTPPYCUPJB-NXEZZACHSA-N 2 1 234.334 2.255 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC[C@H]1C=CCC1 ZINC000873283036 590019876 /nfs/dbraw/zinc/01/98/76/590019876.db2.gz YLHGYVWQIBUJBX-RDBSUJKOSA-N 2 1 222.376 2.320 20 0 BEADMP CC[N@H+](CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C(C)C ZINC000876996379 590266749 /nfs/dbraw/zinc/26/67/49/590266749.db2.gz RYWWDSHLNVSAJB-BTTYYORXSA-N 2 1 224.392 2.352 20 0 BEADMP CC[N@@H+](CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C(C)C ZINC000876996379 590266751 /nfs/dbraw/zinc/26/67/51/590266751.db2.gz RYWWDSHLNVSAJB-BTTYYORXSA-N 2 1 224.392 2.352 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CC3(C)CCC3)CC[C@@H]21 ZINC000877738384 590404270 /nfs/dbraw/zinc/40/42/70/590404270.db2.gz BIZNZLSLIKUGBS-OLZOCXBDSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CC3(C)CCC3)CC[C@@H]21 ZINC000877738384 590404268 /nfs/dbraw/zinc/40/42/68/590404268.db2.gz BIZNZLSLIKUGBS-OLZOCXBDSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3(C)CCC3)CC[C@@H]21 ZINC000877738384 590404274 /nfs/dbraw/zinc/40/42/74/590404274.db2.gz BIZNZLSLIKUGBS-OLZOCXBDSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC[C@@H]21 ZINC000877738821 590406426 /nfs/dbraw/zinc/40/64/26/590406426.db2.gz MKBKFXNRYKLNHA-SUJAAXHWSA-N 2 1 248.414 2.449 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC[C@@H]21 ZINC000877738821 590406428 /nfs/dbraw/zinc/40/64/28/590406428.db2.gz MKBKFXNRYKLNHA-SUJAAXHWSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC[C@@H]21 ZINC000877738821 590406430 /nfs/dbraw/zinc/40/64/30/590406430.db2.gz MKBKFXNRYKLNHA-SUJAAXHWSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC[C@@H]21 ZINC000877738821 590406432 /nfs/dbraw/zinc/40/64/32/590406432.db2.gz MKBKFXNRYKLNHA-SUJAAXHWSA-N 2 1 248.414 2.449 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccs3)CC[C@@H]21 ZINC000877742525 590409778 /nfs/dbraw/zinc/40/97/78/590409778.db2.gz DQLQQURZVXIWOY-YPMHNXCESA-N 2 1 236.384 2.274 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccs3)CC[C@@H]21 ZINC000877742525 590409780 /nfs/dbraw/zinc/40/97/80/590409780.db2.gz DQLQQURZVXIWOY-YPMHNXCESA-N 2 1 236.384 2.274 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccs3)CC[C@@H]21 ZINC000877742525 590409783 /nfs/dbraw/zinc/40/97/83/590409783.db2.gz DQLQQURZVXIWOY-YPMHNXCESA-N 2 1 236.384 2.274 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccs3)CC[C@@H]21 ZINC000877742525 590409786 /nfs/dbraw/zinc/40/97/86/590409786.db2.gz DQLQQURZVXIWOY-YPMHNXCESA-N 2 1 236.384 2.274 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccccc3)CC[C@H]21 ZINC000877743494 590411996 /nfs/dbraw/zinc/41/19/96/590411996.db2.gz WJSQAVRBSNHSPY-HZPDHXFCSA-N 2 1 244.382 2.255 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3ccccc3)CC[C@H]21 ZINC000877743494 590411997 /nfs/dbraw/zinc/41/19/97/590411997.db2.gz WJSQAVRBSNHSPY-HZPDHXFCSA-N 2 1 244.382 2.255 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3ccccc3)CC[C@H]21 ZINC000877743494 590411999 /nfs/dbraw/zinc/41/19/99/590411999.db2.gz WJSQAVRBSNHSPY-HZPDHXFCSA-N 2 1 244.382 2.255 20 0 BEADMP C=C/C=C/CC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000878167688 590513734 /nfs/dbraw/zinc/51/37/34/590513734.db2.gz XTAQYJGBDQPQLC-UZYOAWRESA-N 2 1 222.376 2.392 20 0 BEADMP C=C/C=C/CC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000878167688 590513737 /nfs/dbraw/zinc/51/37/37/590513737.db2.gz XTAQYJGBDQPQLC-UZYOAWRESA-N 2 1 222.376 2.392 20 0 BEADMP C=C/C=C/CC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000878167688 590513739 /nfs/dbraw/zinc/51/37/39/590513739.db2.gz XTAQYJGBDQPQLC-UZYOAWRESA-N 2 1 222.376 2.392 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529964 590791783 /nfs/dbraw/zinc/79/17/83/590791783.db2.gz HQKOEXGVTYGOCV-QLFBSQMISA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529964 590791786 /nfs/dbraw/zinc/79/17/86/590791786.db2.gz HQKOEXGVTYGOCV-QLFBSQMISA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529964 590791790 /nfs/dbraw/zinc/79/17/90/590791790.db2.gz HQKOEXGVTYGOCV-QLFBSQMISA-N 2 1 234.387 2.369 20 0 BEADMP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879530279 590792342 /nfs/dbraw/zinc/79/23/42/590792342.db2.gz AYLOJFZKIVXKQY-OKILXGFUSA-N 2 1 245.370 2.251 20 0 BEADMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879530279 590792344 /nfs/dbraw/zinc/79/23/44/590792344.db2.gz AYLOJFZKIVXKQY-OKILXGFUSA-N 2 1 245.370 2.251 20 0 BEADMP C[N@@H+]1CC[C@H]2C[NH+](CCCC3CC3)CC[C@@H]21 ZINC000879580306 590803376 /nfs/dbraw/zinc/80/33/76/590803376.db2.gz SILXUDCYNDOOGS-KBPBESRZSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@H+]1CC[C@H]2C[NH+](CCCC3CC3)CC[C@@H]21 ZINC000879580306 590803378 /nfs/dbraw/zinc/80/33/78/590803378.db2.gz SILXUDCYNDOOGS-KBPBESRZSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](CCCC3CC3)CC[C@@H]21 ZINC000879580306 590803379 /nfs/dbraw/zinc/80/33/79/590803379.db2.gz SILXUDCYNDOOGS-KBPBESRZSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](CCCC3CC3)CC[C@@H]21 ZINC000879580306 590803380 /nfs/dbraw/zinc/80/33/80/590803380.db2.gz SILXUDCYNDOOGS-KBPBESRZSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020509 590910518 /nfs/dbraw/zinc/91/05/18/590910518.db2.gz KUPAPFSFBZRTDY-CABCVRRESA-N 2 1 230.355 2.070 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020509 590910520 /nfs/dbraw/zinc/91/05/20/590910520.db2.gz KUPAPFSFBZRTDY-CABCVRRESA-N 2 1 230.355 2.070 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020509 590910522 /nfs/dbraw/zinc/91/05/22/590910522.db2.gz KUPAPFSFBZRTDY-CABCVRRESA-N 2 1 230.355 2.070 20 0 BEADMP CC(C)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261078 590980792 /nfs/dbraw/zinc/98/07/92/590980792.db2.gz HVGCZWIWJRSAEF-CYBMUJFWSA-N 2 1 233.359 2.248 20 0 BEADMP Cc1cc[nH+]c(N2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000882964142 591486993 /nfs/dbraw/zinc/48/69/93/591486993.db2.gz UFXKCCCMWOXDGW-UHFFFAOYSA-N 2 1 245.370 2.455 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C=CCC2)CC1(C)C ZINC000883236707 591582303 /nfs/dbraw/zinc/58/23/03/591582303.db2.gz IWGMXYIJANPITI-STQMWFEESA-N 2 1 222.376 2.415 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883417169 591653015 /nfs/dbraw/zinc/65/30/15/591653015.db2.gz PUBFCCGRABVPQD-MNOVXSKESA-N 2 1 232.318 2.093 20 0 BEADMP C=C/C=C\CC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000883424621 591658909 /nfs/dbraw/zinc/65/89/09/591658909.db2.gz YCNLGTBRHWSFPZ-ARJAWSKDSA-N 2 1 220.360 2.194 20 0 BEADMP C=C/C=C\CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000883429910 591662209 /nfs/dbraw/zinc/66/22/09/591662209.db2.gz HZRJEFBBPYKIBK-VQTKUKTRSA-N 2 1 220.360 2.194 20 0 BEADMP C[C@H]1SCC[N@@H+](CCCCCC[NH3+])[C@@H]1C ZINC000132463304 591710591 /nfs/dbraw/zinc/71/05/91/591710591.db2.gz VTWGLIPVOOXWIY-VXGBXAGGSA-N 2 1 230.421 2.331 20 0 BEADMP CC(CC[NH+]1C[C@@H]2C[C@@H]2C1)CC[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886348918 592214483 /nfs/dbraw/zinc/21/44/83/592214483.db2.gz VDIXYPMIERPROA-GEEKYZPCSA-N 2 1 248.414 2.306 20 0 BEADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccccn1 ZINC000075860153 592313776 /nfs/dbraw/zinc/31/37/76/592313776.db2.gz GPZYGALZQOBNNF-HNNXBMFYSA-N 2 1 247.386 2.388 20 0 BEADMP C[C@](C[NH3+])([NH2+]CC[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000886829439 592350312 /nfs/dbraw/zinc/35/03/12/592350312.db2.gz AFSBSWBCJOBRSQ-KWCYVHTRSA-N 2 1 222.376 2.140 20 0 BEADMP CCCC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865506 592373671 /nfs/dbraw/zinc/37/36/71/592373671.db2.gz MJZHFTUMEFQLLO-ZDUSSCGKSA-N 2 1 210.365 2.252 20 0 BEADMP CC[C@H](C)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874560 592376680 /nfs/dbraw/zinc/37/66/80/592376680.db2.gz QGGITXSBTYCGGS-STQMWFEESA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886873927 592378194 /nfs/dbraw/zinc/37/81/94/592378194.db2.gz BOFYTCMINVOAHK-MGPQQGTHSA-N 2 1 222.376 2.108 20 0 BEADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC1CCC1 ZINC000887132840 592449311 /nfs/dbraw/zinc/44/93/11/592449311.db2.gz OKITZONQYXIDDT-CYBMUJFWSA-N 2 1 245.370 2.392 20 0 BEADMP CCSC1(C[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925711086 634410587 /nfs/dbraw/zinc/41/05/87/634410587.db2.gz YLAYDMVEMFATOM-SNVBAGLBSA-N 2 1 228.405 2.002 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000925712393 634414475 /nfs/dbraw/zinc/41/44/75/634414475.db2.gz UHWACPWZMRYHEK-IMRBUKKESA-N 2 1 222.376 2.273 20 0 BEADMP c1ccc(CC[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC000257714409 634476948 /nfs/dbraw/zinc/47/69/48/634476948.db2.gz UKDNTEQUVLSVRB-OAHLLOKOSA-N 2 1 230.355 2.057 20 0 BEADMP c1ccc(CC[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC000257714409 634476951 /nfs/dbraw/zinc/47/69/51/634476951.db2.gz UKDNTEQUVLSVRB-OAHLLOKOSA-N 2 1 230.355 2.057 20 0 BEADMP Cc1ccc(OCC[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000227072516 635446144 /nfs/dbraw/zinc/44/61/44/635446144.db2.gz XKAZSVCGPVKIFB-DZGCQCFKSA-N 2 1 248.370 2.043 20 0 BEADMP Cc1cc(F)c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c(F)c1 ZINC000925873700 635592218 /nfs/dbraw/zinc/59/22/18/635592218.db2.gz CIOLWZZDPOBDBF-UWVGGRQHSA-N 2 1 242.313 2.489 20 0 BEADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCC2(CCCC2)C1 ZINC000303390821 635614672 /nfs/dbraw/zinc/61/46/72/635614672.db2.gz BVOKYTCRNLSDCY-ZDUSSCGKSA-N 2 1 222.376 2.252 20 0 BEADMP Cc1ncsc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000082633223 631407525 /nfs/dbraw/zinc/40/75/25/631407525.db2.gz HTHPZZBYDBMYKN-UHFFFAOYSA-N 2 1 239.388 2.153 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924872448 635676808 /nfs/dbraw/zinc/67/68/08/635676808.db2.gz IJMVVGDFJNDYEQ-MJBXVCDLSA-N 2 1 231.343 2.136 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000308799393 631644578 /nfs/dbraw/zinc/64/45/78/631644578.db2.gz KJMGOCHIEQQXGH-VOAKCMCISA-N 2 1 208.349 2.001 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000308799393 631644583 /nfs/dbraw/zinc/64/45/83/631644583.db2.gz KJMGOCHIEQQXGH-VOAKCMCISA-N 2 1 208.349 2.001 20 0 BEADMP CCCCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000308789364 631648001 /nfs/dbraw/zinc/64/80/01/631648001.db2.gz APUZGSHIQZPRIN-QWHCGFSZSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)C(C)(C)C ZINC000308839011 631899227 /nfs/dbraw/zinc/89/92/27/631899227.db2.gz XUZNTULKTWUHMB-NEPJUHHUSA-N 2 1 212.381 2.339 20 0 BEADMP C[C@@H]1CC=CC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000934620261 631984864 /nfs/dbraw/zinc/98/48/64/631984864.db2.gz SEQMHHSZGWTOQO-TZMCWYRMSA-N 2 1 233.359 2.297 20 0 BEADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251227934 632545400 /nfs/dbraw/zinc/54/54/00/632545400.db2.gz AKGQDDMJMODQML-YNEHKIRRSA-N 2 1 233.359 2.202 20 0 BEADMP CCCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309593882 632554433 /nfs/dbraw/zinc/55/44/33/632554433.db2.gz TYGOISUBMVEGSC-OKILXGFUSA-N 2 1 224.392 2.498 20 0 BEADMP C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CCCC1 ZINC000309251445 632842580 /nfs/dbraw/zinc/84/25/80/632842580.db2.gz AGDQYIOFTCHKOF-UONOGXRCSA-N 2 1 222.376 2.108 20 0 BEADMP CSCC[C@@H](C)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000156891304 632893925 /nfs/dbraw/zinc/89/39/25/632893925.db2.gz QKRRSZBTHZLPGR-UTUOFQBUSA-N 2 1 230.421 2.187 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000924570665 632923812 /nfs/dbraw/zinc/92/38/12/632923812.db2.gz QYAGQJHDYXVLAO-GZBFAFLISA-N 2 1 234.387 2.415 20 0 BEADMP Cc1cc(C[NH2+][C@@H](C)CC[NH+](C)C)c(C)o1 ZINC000309430854 633062013 /nfs/dbraw/zinc/06/20/13/633062013.db2.gz MKBAOPHPZQLITE-JTQLQIEISA-N 2 1 224.348 2.326 20 0 BEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccoc2)C1 ZINC000163817274 633064671 /nfs/dbraw/zinc/06/46/71/633064671.db2.gz TUQOTQDDNHMNJF-GFCCVEGCSA-N 2 1 222.332 2.101 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccoc2)C1 ZINC000163817274 633064678 /nfs/dbraw/zinc/06/46/78/633064678.db2.gz TUQOTQDDNHMNJF-GFCCVEGCSA-N 2 1 222.332 2.101 20 0 BEADMP C[C@@H]1CC[N@@H+](CCc2cccs2)C[C@@H]1C[NH3+] ZINC000167664556 633131142 /nfs/dbraw/zinc/13/11/42/633131142.db2.gz YXIKOPUIGYRLET-NEPJUHHUSA-N 2 1 238.400 2.207 20 0 BEADMP CC(C)CCC[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000053343206 633761666 /nfs/dbraw/zinc/76/16/66/633761666.db2.gz OOVCOMLCTRVSBF-ZDUSSCGKSA-N 2 1 212.381 2.497 20 0 BEADMP CC(C)CCC[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000053343206 633761679 /nfs/dbraw/zinc/76/16/79/633761679.db2.gz OOVCOMLCTRVSBF-ZDUSSCGKSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000925502948 633826772 /nfs/dbraw/zinc/82/67/72/633826772.db2.gz JIYPYLVOMPXISY-ZFWWWQNUSA-N 2 1 247.386 2.219 20 0 BEADMP C[C@@H]([NH3+])[C@@H](NCCCC[NH+](C)C)c1ccccc1 ZINC000925522791 633896424 /nfs/dbraw/zinc/89/64/24/633896424.db2.gz USVRWROFZALYSA-UKRRQHHQSA-N 2 1 249.402 2.006 20 0 BEADMP C[C@@H]([NH3+])[C@@H]([NH2+]CCCC[NH+](C)C)c1ccccc1 ZINC000925522791 633896425 /nfs/dbraw/zinc/89/64/25/633896425.db2.gz USVRWROFZALYSA-UKRRQHHQSA-N 3 1 249.402 2.006 20 0 BEADMP C[C@@H]([NH3+])[C@H](NCCCC[NH+](C)C)c1ccccc1 ZINC000925522790 633897018 /nfs/dbraw/zinc/89/70/18/633897018.db2.gz USVRWROFZALYSA-HIFRSBDPSA-N 2 1 249.402 2.006 20 0 BEADMP C[C@@H]([NH3+])[C@H]([NH2+]CCCC[NH+](C)C)c1ccccc1 ZINC000925522790 633897019 /nfs/dbraw/zinc/89/70/19/633897019.db2.gz USVRWROFZALYSA-HIFRSBDPSA-N 3 1 249.402 2.006 20 0 BEADMP C[C@@H](C1CC1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000930575996 633906443 /nfs/dbraw/zinc/90/64/43/633906443.db2.gz AVXSLDMLKSYHIE-JSGCOSHPSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H](C1CC1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000930575996 633906446 /nfs/dbraw/zinc/90/64/46/633906446.db2.gz AVXSLDMLKSYHIE-JSGCOSHPSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H](C1CC1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000930575996 633906448 /nfs/dbraw/zinc/90/64/48/633906448.db2.gz AVXSLDMLKSYHIE-JSGCOSHPSA-N 2 1 222.376 2.203 20 0 BEADMP CC[NH+]1CCC([NH2+]C2[C@@H](C)CC[C@@H]2C)CC1 ZINC000309666776 633985873 /nfs/dbraw/zinc/98/58/73/633985873.db2.gz ULUGZAPGTFDNOY-RYUDHWBXSA-N 2 1 224.392 2.495 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@H]1C ZINC000309748625 633999554 /nfs/dbraw/zinc/99/95/54/633999554.db2.gz JXDNBIASXMYRPC-NQBHXWOUSA-N 2 1 221.348 2.216 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[C@H]1C ZINC000309748629 634000555 /nfs/dbraw/zinc/00/05/55/634000555.db2.gz JXDNBIASXMYRPC-WZRBSPASSA-N 2 1 221.348 2.216 20 0 BEADMP COC[C@@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000053196115 634070056 /nfs/dbraw/zinc/07/00/56/634070056.db2.gz UFFNYIHTNVQZIR-CYBMUJFWSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000925602213 634129526 /nfs/dbraw/zinc/12/95/26/634129526.db2.gz RLYYFKFPMNUXGD-LRDDRELGSA-N 2 1 244.382 2.132 20 0 BEADMP C[C@H]1CCC[N@@H+]1CC[NH2+]CCC(C)(C)C ZINC000053343214 634169098 /nfs/dbraw/zinc/16/90/98/634169098.db2.gz XOSCJLBXTUWZCT-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H]1CCC[N@H+]1CC[NH2+]CCC(C)(C)C ZINC000053343214 634169105 /nfs/dbraw/zinc/16/91/05/634169105.db2.gz XOSCJLBXTUWZCT-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000925695037 634341177 /nfs/dbraw/zinc/34/11/77/634341177.db2.gz VSGJTNPFKUAPRF-TZMCWYRMSA-N 2 1 247.386 2.089 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)CS1 ZINC000925700155 634371005 /nfs/dbraw/zinc/37/10/05/634371005.db2.gz ZDIMMSPWVRPQLC-UTUOFQBUSA-N 2 1 240.416 2.145 20 0 BEADMP C[N@@H+](CCc1cccc(F)c1)CC(C)(C)C[NH3+] ZINC000258703744 635190644 /nfs/dbraw/zinc/19/06/44/635190644.db2.gz HBCFLXKEIKZXTD-UHFFFAOYSA-N 2 1 238.350 2.285 20 0 BEADMP CC(C)([NH3+])CC[NH2+]Cc1ccc(F)cc1F ZINC000258874998 635216411 /nfs/dbraw/zinc/21/64/11/635216411.db2.gz JUVQQMWFQSATDU-UHFFFAOYSA-N 2 1 228.286 2.182 20 0 BEADMP C[NH+](C)Cc1cnc(C[NH2+]CCC2CC2)s1 ZINC000336756983 635283196 /nfs/dbraw/zinc/28/31/96/635283196.db2.gz HJJWKACIHZJSMV-UHFFFAOYSA-N 2 1 239.388 2.094 20 0 BEADMP c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1C[C@H]3C=C[C@@H]1CC3)C2 ZINC000925815081 635381834 /nfs/dbraw/zinc/38/18/34/635381834.db2.gz SXOBMSLMFTYKFC-RFQIPJPRSA-N 2 1 243.354 2.142 20 0 BEADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000226813257 635442285 /nfs/dbraw/zinc/44/22/85/635442285.db2.gz UOYWAFDNDQQOND-TZMCWYRMSA-N 2 1 245.370 2.000 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000226813257 635442294 /nfs/dbraw/zinc/44/22/94/635442294.db2.gz UOYWAFDNDQQOND-TZMCWYRMSA-N 2 1 245.370 2.000 20 0 BEADMP [NH3+]CCCCCC[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000126323985 635767969 /nfs/dbraw/zinc/76/79/69/635767969.db2.gz QODLZNPLHARTHM-BETUJISGSA-N 2 1 210.365 2.237 20 0 BEADMP C[N@H+]1CC[C@H]2CN(CC3CC(F)(F)C3)CC[C@@H]21 ZINC000879578445 635866834 /nfs/dbraw/zinc/86/68/34/635866834.db2.gz FECSQPDFZCCFPC-RYUDHWBXSA-N 2 1 244.329 2.058 20 0 BEADMP C[N@@H+]1CC[C@H]2C[NH+](CC3CC(F)(F)C3)CC[C@@H]21 ZINC000879578445 635866838 /nfs/dbraw/zinc/86/68/38/635866838.db2.gz FECSQPDFZCCFPC-RYUDHWBXSA-N 2 1 244.329 2.058 20 0 BEADMP C[N@H+]1CC[C@H]2C[NH+](CC3CC(F)(F)C3)CC[C@@H]21 ZINC000879578445 635866841 /nfs/dbraw/zinc/86/68/41/635866841.db2.gz FECSQPDFZCCFPC-RYUDHWBXSA-N 2 1 244.329 2.058 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](CC3CC(F)(F)C3)CC[C@@H]21 ZINC000879578445 635866843 /nfs/dbraw/zinc/86/68/43/635866843.db2.gz FECSQPDFZCCFPC-RYUDHWBXSA-N 2 1 244.329 2.058 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](CC3CC(F)(F)C3)CC[C@@H]21 ZINC000879578445 635866846 /nfs/dbraw/zinc/86/68/46/635866846.db2.gz FECSQPDFZCCFPC-RYUDHWBXSA-N 2 1 244.329 2.058 20 0 BEADMP CCO[C@H](C[NH2+][C@@H](C)CC1CCC1)C[NH+](C)C ZINC000926962783 636973940 /nfs/dbraw/zinc/97/39/40/636973940.db2.gz MVCKSKIEQRIYBD-GXTWGEPZSA-N 2 1 242.407 2.121 20 0 BEADMP CCO[C@@H](C[NH2+][C@@H](CC)C1CCC1)C[NH+](C)C ZINC000926964951 636976889 /nfs/dbraw/zinc/97/68/89/636976889.db2.gz YSANRMIMUYCMSK-KBPBESRZSA-N 2 1 242.407 2.121 20 0 BEADMP CCO[C@H](C[NH2+][C@@H](CC)C1CCC1)C[NH+](C)C ZINC000926964953 636977359 /nfs/dbraw/zinc/97/73/59/636977359.db2.gz YSANRMIMUYCMSK-KGLIPLIRSA-N 2 1 242.407 2.121 20 0 BEADMP CCO[C@@H](C[NH2+][C@H](C)CCC1CC1)C[NH+](C)C ZINC000926965011 636978590 /nfs/dbraw/zinc/97/85/90/636978590.db2.gz ZEKPMUAKHXBRRF-OCCSQVGLSA-N 2 1 242.407 2.121 20 0 BEADMP CC1([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC(F)(F)C1 ZINC000873197957 636980483 /nfs/dbraw/zinc/98/04/83/636980483.db2.gz WXFHROSEPOFNTE-GHMZBOCLSA-N 2 1 244.329 2.391 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)C1(Cl)CC1 ZINC000924717095 637028882 /nfs/dbraw/zinc/02/88/82/637028882.db2.gz SZFPATQFPFXQBZ-JTQLQIEISA-N 2 1 241.766 2.331 20 0 BEADMP CSCC[C@H](C)[N@@H+](C)CCC[NH2+]C1CC1 ZINC000156910703 637084426 /nfs/dbraw/zinc/08/44/26/637084426.db2.gz PZOUPIOWRUKOQQ-NSHDSACASA-N 2 1 230.421 2.202 20 0 BEADMP CNc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000902266765 637288564 /nfs/dbraw/zinc/28/85/64/637288564.db2.gz UHFQBHOHBPMOPX-GXTWGEPZSA-N 2 1 247.386 2.301 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]C2C[C@@H]3CCC[C@H]3C2)C1 ZINC000902751912 637330017 /nfs/dbraw/zinc/33/00/17/637330017.db2.gz DBDKQPGZXWIPKU-RDBSUJKOSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903436752 637360339 /nfs/dbraw/zinc/36/03/39/637360339.db2.gz BFWRXEQQTZLPQR-RQJABVFESA-N 2 1 222.376 2.391 20 0 BEADMP CC(C)(C)OC[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903566078 637371329 /nfs/dbraw/zinc/37/13/29/637371329.db2.gz ZDBJLMSCYGFGPF-OLZOCXBDSA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)(C)OC[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903566078 637371336 /nfs/dbraw/zinc/37/13/36/637371336.db2.gz ZDBJLMSCYGFGPF-OLZOCXBDSA-N 2 1 240.391 2.018 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccccc2CF)C1 ZINC000903788970 637384541 /nfs/dbraw/zinc/38/45/41/637384541.db2.gz SGIOBLCWRBOJQW-GFCCVEGCSA-N 2 1 236.334 2.327 20 0 BEADMP C[C@]1(C[NH2+][C@@H]2CCCc3cccnc32)CC[NH2+]C1 ZINC000904427955 637397857 /nfs/dbraw/zinc/39/78/57/637397857.db2.gz BMDFWLJOAPHEDA-HIFRSBDPSA-N 2 1 245.370 2.048 20 0 BEADMP C[C@]12C[N@@H+](CC34CC(C3)C[NH2+]4)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000904465365 637408572 /nfs/dbraw/zinc/40/85/72/637408572.db2.gz ZPPUJAJYMKTNTR-ZIXXKZBOSA-N 2 1 246.398 2.106 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000904443662 637410966 /nfs/dbraw/zinc/41/09/66/637410966.db2.gz MJLVBHNKDPASDS-UHFFFAOYSA-N 2 1 216.328 2.145 20 0 BEADMP Cc1nc2ccc(C[NH2+]CC3([NH3+])CC3)cc2s1 ZINC000904445509 637413006 /nfs/dbraw/zinc/41/30/06/637413006.db2.gz WDFZMMXCEAIUQQ-UHFFFAOYSA-N 2 1 247.367 2.186 20 0 BEADMP Cc1cc(Cl)ccc1C[NH2+]CC1([NH3+])CC1 ZINC000904449928 637413357 /nfs/dbraw/zinc/41/33/57/637413357.db2.gz NFDJWOCRNWYINJ-UHFFFAOYSA-N 2 1 224.735 2.229 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2Cc3cccc(Cl)c3C2)C1 ZINC000904468688 637422819 /nfs/dbraw/zinc/42/28/19/637422819.db2.gz FBKWCGLGIBCDKK-JGZJWPJOSA-N 2 1 236.746 2.393 20 0 BEADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1cncs1 ZINC000904469481 637423188 /nfs/dbraw/zinc/42/31/88/637423188.db2.gz NDFPJJLEOPLWPG-OUAUKWLOSA-N 2 1 239.388 2.324 20 0 BEADMP [NH3+]C1CC([NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000906509905 638181694 /nfs/dbraw/zinc/18/16/94/638181694.db2.gz BDICFMMZROGOGT-UHFFFAOYSA-N 2 1 228.698 2.058 20 0 BEADMP [NH3+]C1CC([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000906510768 638183006 /nfs/dbraw/zinc/18/30/06/638183006.db2.gz VZQNVSWWOFIBBJ-UHFFFAOYSA-N 2 1 228.698 2.058 20 0 BEADMP [NH3+]C1CC([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000906509990 638184120 /nfs/dbraw/zinc/18/41/20/638184120.db2.gz GVCDADAKKUOZHW-UHFFFAOYSA-N 2 1 228.698 2.058 20 0 BEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000906517765 638188352 /nfs/dbraw/zinc/18/83/52/638188352.db2.gz PKQTVDGXBXKWDP-KYZUINATSA-N 2 1 228.698 2.058 20 0 BEADMP CC(C)CC(N)=[NH+]OCC[C@H]1CCCC[N@@H+]1C ZINC000906500832 638194237 /nfs/dbraw/zinc/19/42/37/638194237.db2.gz OGWSRGHMWLHVBA-GFCCVEGCSA-N 2 1 241.379 2.405 20 0 BEADMP CC(C)CC(N)=[NH+]OCC[C@H]1CCCC[N@H+]1C ZINC000906500832 638194241 /nfs/dbraw/zinc/19/42/41/638194241.db2.gz OGWSRGHMWLHVBA-GFCCVEGCSA-N 2 1 241.379 2.405 20 0 BEADMP CC1CC(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000930554448 639810569 /nfs/dbraw/zinc/81/05/69/639810569.db2.gz GZNAWOMTVWJPIV-JXQTWKCFSA-N 2 1 222.376 2.060 20 0 BEADMP CC1CC(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000930554448 639810570 /nfs/dbraw/zinc/81/05/70/639810570.db2.gz GZNAWOMTVWJPIV-JXQTWKCFSA-N 2 1 222.376 2.060 20 0 BEADMP CC1CC(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000930554448 639810571 /nfs/dbraw/zinc/81/05/71/639810571.db2.gz GZNAWOMTVWJPIV-JXQTWKCFSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000931213533 640105741 /nfs/dbraw/zinc/10/57/41/640105741.db2.gz BKUDRQRPXYWSKT-HOTGVXAUSA-N 2 1 244.382 2.460 20 0 BEADMP C[C@@H](C1CC1)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931317160 640142255 /nfs/dbraw/zinc/14/22/55/640142255.db2.gz NCYSNCBQMTYIDL-FPMFFAJLSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H](C1CC1)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931317160 640142258 /nfs/dbraw/zinc/14/22/58/640142258.db2.gz NCYSNCBQMTYIDL-FPMFFAJLSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H](C1CC1)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931317160 640142262 /nfs/dbraw/zinc/14/22/62/640142262.db2.gz NCYSNCBQMTYIDL-FPMFFAJLSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H](C1CC1)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931317160 640142268 /nfs/dbraw/zinc/14/22/68/640142268.db2.gz NCYSNCBQMTYIDL-FPMFFAJLSA-N 2 1 222.376 2.059 20 0 BEADMP CCSCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931310393 640145867 /nfs/dbraw/zinc/14/58/67/640145867.db2.gz JHCAPWHDYDVJQO-CHWSQXEVSA-N 2 1 242.432 2.013 20 0 BEADMP CCCCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931311364 640145958 /nfs/dbraw/zinc/14/59/58/640145958.db2.gz OPJROCNOYBXHCF-KBPBESRZSA-N 2 1 224.392 2.450 20 0 BEADMP CC(C)CC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931308499 640145978 /nfs/dbraw/zinc/14/59/78/640145978.db2.gz OHWSPMPHYRHKJS-ZIAGYGMSSA-N 2 1 224.392 2.306 20 0 BEADMP CC1CC(C[NH+]2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)C1 ZINC000931311309 640146807 /nfs/dbraw/zinc/14/68/07/640146807.db2.gz HJDKRUGPVVXUNO-WUCCLRPBSA-N 2 1 236.403 2.306 20 0 BEADMP C=C/C=C\CC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931317179 640156288 /nfs/dbraw/zinc/15/62/88/640156288.db2.gz NLACSIXOKUIDSP-BEWKBBBFSA-N 2 1 234.387 2.392 20 0 BEADMP C[NH+](C)C1(C)CC[NH+](CCOC(C)(C)C)CC1 ZINC000931349944 640167425 /nfs/dbraw/zinc/16/74/25/640167425.db2.gz BQOSSENTZMHWKB-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CCCCCF)C[C@@H]2C1 ZINC000931436274 640202342 /nfs/dbraw/zinc/20/23/42/640202342.db2.gz GKEQRFNMXLISNF-OLZOCXBDSA-N 2 1 228.355 2.010 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CCCCCF)C[C@@H]2C1 ZINC000931436274 640202346 /nfs/dbraw/zinc/20/23/46/640202346.db2.gz GKEQRFNMXLISNF-OLZOCXBDSA-N 2 1 228.355 2.010 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCCCF)C[C@@H]2C1 ZINC000931436274 640202351 /nfs/dbraw/zinc/20/23/51/640202351.db2.gz GKEQRFNMXLISNF-OLZOCXBDSA-N 2 1 228.355 2.010 20 0 BEADMP CC(C)C[C@@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435859 640203939 /nfs/dbraw/zinc/20/39/39/640203939.db2.gz DYCKRVVAAYYIBG-HZSPNIEDSA-N 2 1 224.392 2.305 20 0 BEADMP CC(C)C[C@@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931435859 640203942 /nfs/dbraw/zinc/20/39/42/640203942.db2.gz DYCKRVVAAYYIBG-HZSPNIEDSA-N 2 1 224.392 2.305 20 0 BEADMP CC(C)C[C@@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931435859 640203947 /nfs/dbraw/zinc/20/39/47/640203947.db2.gz DYCKRVVAAYYIBG-HZSPNIEDSA-N 2 1 224.392 2.305 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CC3(C)CCC3)C[C@@H]2C1 ZINC000931439296 640207441 /nfs/dbraw/zinc/20/74/41/640207441.db2.gz TZKAOUXJZITRAC-OLZOCXBDSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CC3(C)CCC3)C[C@@H]2C1 ZINC000931439296 640207445 /nfs/dbraw/zinc/20/74/45/640207445.db2.gz TZKAOUXJZITRAC-OLZOCXBDSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3(C)CCC3)C[C@@H]2C1 ZINC000931439296 640207449 /nfs/dbraw/zinc/20/74/49/640207449.db2.gz TZKAOUXJZITRAC-OLZOCXBDSA-N 2 1 222.376 2.060 20 0 BEADMP CC(C)C[C@H](C)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517487 640248170 /nfs/dbraw/zinc/24/81/70/640248170.db2.gz JJGRLHJBTLAFHY-NSHDSACASA-N 2 1 233.359 2.457 20 0 BEADMP CC(C)C[C@H](C)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517487 640248172 /nfs/dbraw/zinc/24/81/72/640248172.db2.gz JJGRLHJBTLAFHY-NSHDSACASA-N 2 1 233.359 2.457 20 0 BEADMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2[C@@H]1C=CCCC1 ZINC000931726182 640338156 /nfs/dbraw/zinc/33/81/56/640338156.db2.gz DKDMDBKVHIXAPJ-HZSPNIEDSA-N 2 1 220.360 2.264 20 0 BEADMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2[C@H]1C=CCCC1 ZINC000931726184 640340701 /nfs/dbraw/zinc/34/07/01/640340701.db2.gz DKDMDBKVHIXAPJ-MELADBBJSA-N 2 1 220.360 2.264 20 0 BEADMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2C[Si](C)(C)C ZINC000931726346 640341771 /nfs/dbraw/zinc/34/17/71/640341771.db2.gz HHDVJWZBBLSTMI-NWDGAFQWSA-N 2 1 226.440 2.032 20 0 BEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccoc2)C1 ZINC000165419684 640574904 /nfs/dbraw/zinc/57/49/04/640574904.db2.gz UFLNYQDXASHFDT-QWHCGFSZSA-N 2 1 222.332 2.242 20 0 BEADMP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000224268621 640607240 /nfs/dbraw/zinc/60/72/40/640607240.db2.gz RADYXVCYMWTTSN-WUHRBBMRSA-N 2 1 242.432 2.343 20 0 BEADMP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000224268621 640607241 /nfs/dbraw/zinc/60/72/41/640607241.db2.gz RADYXVCYMWTTSN-WUHRBBMRSA-N 2 1 242.432 2.343 20 0 BEADMP CC(C)[C@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000166308620 640627943 /nfs/dbraw/zinc/62/79/43/640627943.db2.gz CGIXYOLXWYMQEV-ZDUSSCGKSA-N 2 1 212.381 2.483 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC000226331526 640748668 /nfs/dbraw/zinc/74/86/68/640748668.db2.gz AKGQDDMJMODQML-AVGNSLFASA-N 2 1 233.359 2.202 20 0 BEADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)C[C@]2(C)C1 ZINC000933735356 640759051 /nfs/dbraw/zinc/75/90/51/640759051.db2.gz WDCMZXOVJIETGR-JKJDWNRSSA-N 2 1 248.414 2.306 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)C[C@]2(C)C1 ZINC000933735356 640759054 /nfs/dbraw/zinc/75/90/54/640759054.db2.gz WDCMZXOVJIETGR-JKJDWNRSSA-N 2 1 248.414 2.306 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)C[C@]2(C)C1 ZINC000933735356 640759056 /nfs/dbraw/zinc/75/90/56/640759056.db2.gz WDCMZXOVJIETGR-JKJDWNRSSA-N 2 1 248.414 2.306 20 0 BEADMP CC(C)[C@H]1CCC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000226564327 640776344 /nfs/dbraw/zinc/77/63/44/640776344.db2.gz IWKCFUXWOQMEID-KGLIPLIRSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1ccc(C[N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000227171012 640817052 /nfs/dbraw/zinc/81/70/52/640817052.db2.gz OVTKIVHCBPDFHQ-HIFRSBDPSA-N 2 1 232.371 2.282 20 0 BEADMP Cc1cccc(C[N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000227171324 640817179 /nfs/dbraw/zinc/81/71/79/640817179.db2.gz MZCXROUPCLETAT-HIFRSBDPSA-N 2 1 232.371 2.282 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000228029489 640856989 /nfs/dbraw/zinc/85/69/89/640856989.db2.gz MMMVVORZNAAQQD-ZOBORPQBSA-N 2 1 222.376 2.106 20 0 BEADMP Cc1ccccc1OCC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000228348559 640872109 /nfs/dbraw/zinc/87/21/09/640872109.db2.gz BOKZDPXUVZSEBS-ZIAGYGMSSA-N 2 1 248.370 2.185 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000229064963 640919562 /nfs/dbraw/zinc/91/95/62/640919562.db2.gz HGWYNHIXNXPMCB-HIFRSBDPSA-N 2 1 232.371 2.412 20 0 BEADMP C[C@]1(C[N@H+]2CCc3ccccc3C2)CCC[NH2+]C1 ZINC000062861735 641100121 /nfs/dbraw/zinc/10/01/21/641100121.db2.gz HYTMEDVSVURZLK-INIZCTEOSA-N 2 1 244.382 2.434 20 0 BEADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(F)nc1 ZINC000188960084 641778293 /nfs/dbraw/zinc/77/82/93/641778293.db2.gz OJQHMIODQTZBAT-UHFFFAOYSA-N 2 1 239.338 2.042 20 0 BEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCC=CO2)CC[N@@H+]1C ZINC000191084920 641900241 /nfs/dbraw/zinc/90/02/41/641900241.db2.gz LTZFFNQRJSVXTN-RDBSUJKOSA-N 2 1 238.375 2.094 20 0 BEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCC=CO2)CC[N@H+]1C ZINC000191084920 641900245 /nfs/dbraw/zinc/90/02/45/641900245.db2.gz LTZFFNQRJSVXTN-RDBSUJKOSA-N 2 1 238.375 2.094 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCC=CO2)CC[NH+]1C ZINC000191084920 641900251 /nfs/dbraw/zinc/90/02/51/641900251.db2.gz LTZFFNQRJSVXTN-RDBSUJKOSA-N 2 1 238.375 2.094 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCC=CO2)CC[NH+]1C ZINC000191084920 641900255 /nfs/dbraw/zinc/90/02/55/641900255.db2.gz LTZFFNQRJSVXTN-RDBSUJKOSA-N 2 1 238.375 2.094 20 0 BEADMP C[C@@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)C[C@H](C)S1 ZINC000069910100 642415351 /nfs/dbraw/zinc/41/53/51/642415351.db2.gz WCFJTWBLMOOWIT-FRRDWIJNSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@H]1CC[N@@H+](CC2CCCCC2)C[C@H]1C[NH3+] ZINC000253237394 642631915 /nfs/dbraw/zinc/63/19/15/642631915.db2.gz OWAHAIVCQBLUKP-GXTWGEPZSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000082491037 643325975 /nfs/dbraw/zinc/32/59/75/643325975.db2.gz VXOJCELMRUMVMI-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP Fc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000082554244 643341688 /nfs/dbraw/zinc/34/16/88/643341688.db2.gz YCQBRMCRVQULTB-UHFFFAOYSA-N 2 1 248.345 2.401 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2(C)CCCC2)C1 ZINC000082619091 643354782 /nfs/dbraw/zinc/35/47/82/643354782.db2.gz CATQODMDFABCAT-ZDUSSCGKSA-N 2 1 224.392 2.498 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1CCCCO1 ZINC000042466628 643509068 /nfs/dbraw/zinc/50/90/68/643509068.db2.gz WALCPGYBJJCNAJ-ZDUSSCGKSA-N 2 1 228.380 2.006 20 0 BEADMP CC1CCC([N@@H+](C)CC[C@H]2CC[NH2+]C2)CC1 ZINC000084385174 643660054 /nfs/dbraw/zinc/66/00/54/643660054.db2.gz NMUFDYLITGTMSI-ROKHWSDSSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000050245568 643661554 /nfs/dbraw/zinc/66/15/54/643661554.db2.gz GYMXVSVUCVJFTA-ZDUSSCGKSA-N 2 1 218.344 2.084 20 0 BEADMP CC(C)C[C@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000307802629 643669778 /nfs/dbraw/zinc/66/97/78/643669778.db2.gz KUCCOGXJDOLTRB-GHMZBOCLSA-N 2 1 234.334 2.337 20 0 BEADMP CC(C)C[C@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000307802629 643669781 /nfs/dbraw/zinc/66/97/81/643669781.db2.gz KUCCOGXJDOLTRB-GHMZBOCLSA-N 2 1 234.334 2.337 20 0 BEADMP CC[C@@H](C)C[N@@H+](CC)CCC[NH2+]C1CC1 ZINC000086437503 644133978 /nfs/dbraw/zinc/13/39/78/644133978.db2.gz AQKVJQJPXSFKLR-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CCCCCC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086637193 644157409 /nfs/dbraw/zinc/15/74/09/644157409.db2.gz ZYZMJAOZLSRBMN-UHFFFAOYSA-N 2 1 200.370 2.483 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000194261442 644311433 /nfs/dbraw/zinc/31/14/33/644311433.db2.gz SGNLVVLKHPCFDX-KBPBESRZSA-N 2 1 238.375 2.001 20 0 BEADMP CC(C)CC[C@@H](O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000923298988 644337854 /nfs/dbraw/zinc/33/78/54/644337854.db2.gz VWERRYRLOORYNW-KGLIPLIRSA-N 2 1 244.423 2.089 20 0 BEADMP COCC[N@@H+](CCC[NH2+]C1CC1)C1CCCC1 ZINC000923311554 644345627 /nfs/dbraw/zinc/34/56/27/644345627.db2.gz ZRVODRLCFRVNRG-UHFFFAOYSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@H]1[NH3+] ZINC000923365559 644375401 /nfs/dbraw/zinc/37/54/01/644375401.db2.gz FXYOPPCJFRBJHW-WCQYABFASA-N 2 1 222.376 2.236 20 0 BEADMP C(C1CCC2(CC2)CC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000923360020 644383790 /nfs/dbraw/zinc/38/37/90/644383790.db2.gz FJGSGPQRLOVKSM-KGLIPLIRSA-N 2 1 234.387 2.251 20 0 BEADMP C(C1CCC2(CC2)CC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000923360020 644383796 /nfs/dbraw/zinc/38/37/96/644383796.db2.gz FJGSGPQRLOVKSM-KGLIPLIRSA-N 2 1 234.387 2.251 20 0 BEADMP C[C@@H]1CC[C@H](C)C[N@H+]1CC[NH2+]C(C)(C)C ZINC000084047068 644415973 /nfs/dbraw/zinc/41/59/73/644415973.db2.gz IKXIBSPLKGSXMV-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1CC[C@H](C)C[N@@H+]1CC[NH2+]C(C)(C)C ZINC000084047068 644415979 /nfs/dbraw/zinc/41/59/79/644415979.db2.gz IKXIBSPLKGSXMV-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cccs1 ZINC000084384766 644421925 /nfs/dbraw/zinc/42/19/25/644421925.db2.gz PMDYIFJVUQRDBD-LLVKDONJSA-N 2 1 224.373 2.180 20 0 BEADMP C[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000085016290 644434645 /nfs/dbraw/zinc/43/46/45/644434645.db2.gz OTICXAHIGWGDEF-LPWJVIDDSA-N 2 1 210.365 2.234 20 0 BEADMP C[C@@H]1C[N@@H+](CC=C(Cl)Cl)CC[C@@H]1C[NH3+] ZINC000923488757 644464569 /nfs/dbraw/zinc/46/45/69/644464569.db2.gz GEDLVMKOTBXFLQ-RKDXNWHRSA-N 2 1 237.174 2.222 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923490970 644465971 /nfs/dbraw/zinc/46/59/71/644465971.db2.gz PLBHVZLLVNZGJM-CHWSQXEVSA-N 2 1 210.365 2.259 20 0 BEADMP C[C@H]1C[N@@H+](CCCC2CC2)CC[C@H]1C[NH3+] ZINC000923492583 644468886 /nfs/dbraw/zinc/46/88/86/644468886.db2.gz XLVNQWHZORKTIB-AAEUAGOBSA-N 2 1 210.365 2.093 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c(C)n1 ZINC000923494915 644470314 /nfs/dbraw/zinc/47/03/14/644470314.db2.gz QMGWSQYMFXMAAQ-RISCZKNCSA-N 2 1 247.386 2.115 20 0 BEADMP C[C@H](c1cccc(F)c1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517893 644479139 /nfs/dbraw/zinc/47/91/39/644479139.db2.gz HCDHAVVBIKGNDL-KWCYVHTRSA-N 2 1 248.345 2.428 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530668 644487398 /nfs/dbraw/zinc/48/73/98/644487398.db2.gz MBMPRGYASYSCGP-HZSPNIEDSA-N 2 1 222.376 2.251 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530668 644487404 /nfs/dbraw/zinc/48/74/04/644487404.db2.gz MBMPRGYASYSCGP-HZSPNIEDSA-N 2 1 222.376 2.251 20 0 BEADMP C(C1CCC1)[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923533667 644490131 /nfs/dbraw/zinc/49/01/31/644490131.db2.gz MTGZQSZLXGZMRP-CYBMUJFWSA-N 2 1 208.349 2.005 20 0 BEADMP C(C1CCC1)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923533667 644490134 /nfs/dbraw/zinc/49/01/34/644490134.db2.gz MTGZQSZLXGZMRP-CYBMUJFWSA-N 2 1 208.349 2.005 20 0 BEADMP CC(C)[C@@H](C)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923533724 644490546 /nfs/dbraw/zinc/49/05/46/644490546.db2.gz NTCZIMVQRRNAMK-OLZOCXBDSA-N 2 1 210.365 2.249 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CCOC[C@H]1CC1CC1 ZINC000923551594 644495357 /nfs/dbraw/zinc/49/53/57/644495357.db2.gz ABOHMCNTJWMJLE-CQSZACIVSA-N 2 1 240.391 2.006 20 0 BEADMP COc1ccc(C[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000091546091 644628733 /nfs/dbraw/zinc/62/87/33/644628733.db2.gz JCZHMCMURBXNDO-KGLIPLIRSA-N 2 1 248.370 2.254 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H]2CCC=CO2)C1 ZINC000249035448 644709516 /nfs/dbraw/zinc/70/95/16/644709516.db2.gz SGNLVVLKHPCFDX-UONOGXRCSA-N 2 1 238.375 2.001 20 0 BEADMP C[C@H](Cc1ccco1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250981191 644788257 /nfs/dbraw/zinc/78/82/57/644788257.db2.gz IXQPFNUDQZJJIQ-RDBSUJKOSA-N 2 1 248.370 2.427 20 0 BEADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1C[NH3+] ZINC000251773597 644822508 /nfs/dbraw/zinc/82/25/08/644822508.db2.gz MNOXUMAHZZXGNV-NEPJUHHUSA-N 2 1 212.381 2.339 20 0 BEADMP CSC(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703081 644886433 /nfs/dbraw/zinc/88/64/33/644886433.db2.gz FIDBJERYUMMKLC-RYUDHWBXSA-N 2 1 242.432 2.344 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000926642646 645328857 /nfs/dbraw/zinc/32/88/57/645328857.db2.gz QYJJFECVWKWUBD-SIOPTORSSA-N 2 1 234.387 2.105 20 0 BEADMP CCO[C@@H](C[NH2+][C@H](C)C1CCCC1)C[NH+](C)C ZINC000926965458 645501797 /nfs/dbraw/zinc/50/17/97/645501797.db2.gz RQMPOEZMHDCXJM-OCCSQVGLSA-N 2 1 242.407 2.121 20 0 BEADMP CCO[C@H](C[NH2+][C@H](C)CCC(C)C)C[NH+](C)C ZINC000926965942 645501857 /nfs/dbraw/zinc/50/18/57/645501857.db2.gz UENUSJXXURZGMP-ZIAGYGMSSA-N 2 1 244.423 2.367 20 0 BEADMP c1ccc2c(c1)C[C@@H]2C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925493481 645715835 /nfs/dbraw/zinc/71/58/35/645715835.db2.gz XVGGQFXDKHBVSR-HIFRSBDPSA-N 2 1 242.366 2.201 20 0 BEADMP CCc1cc(N2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc[nH+]1 ZINC000872779765 645768409 /nfs/dbraw/zinc/76/84/09/645768409.db2.gz TUCARJRVVRZZLD-HUUCEWRRSA-N 2 1 245.370 2.317 20 0 BEADMP CSC[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925501328 645945070 /nfs/dbraw/zinc/94/50/70/645945070.db2.gz BYNNCKQPZXDWRL-MNOVXSKESA-N 2 1 228.405 2.002 20 0 BEADMP C[NH+](C)C1CC[NH+](CCCC(C)(F)F)CC1 ZINC000929259833 646042705 /nfs/dbraw/zinc/04/27/05/646042705.db2.gz PASCMHHEQMPVSI-UHFFFAOYSA-N 2 1 234.334 2.448 20 0 BEADMP C[NH+]1CCC([NH2+]C2CC3(C2)CCCC3)CC1 ZINC000924576606 646073234 /nfs/dbraw/zinc/07/32/34/646073234.db2.gz UTPYDJSEYASFHP-UHFFFAOYSA-N 2 1 222.376 2.393 20 0 BEADMP CC[C@H](C[NH2+]C1CC(SC)C1)[NH+]1CCCC1 ZINC000924640491 646082938 /nfs/dbraw/zinc/08/29/38/646082938.db2.gz WMDHXWDAJSRSOX-OTTFEQOBSA-N 2 1 242.432 2.344 20 0 BEADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccccc1 ZINC000925483297 646294656 /nfs/dbraw/zinc/29/46/56/646294656.db2.gz YMNJWTKYBKNDMK-VTPLQMEGSA-N 2 1 218.344 2.321 20 0 BEADMP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2nccs2)C1 ZINC000925487816 646300290 /nfs/dbraw/zinc/30/02/90/646300290.db2.gz XJPOKOFFRHKMLM-VHSXEESVSA-N 2 1 239.388 2.139 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC000929792368 646320232 /nfs/dbraw/zinc/32/02/32/646320232.db2.gz ZIZJWOZUKFQNFS-ROKHWSDSSA-N 2 1 224.392 2.306 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC000929792368 646320236 /nfs/dbraw/zinc/32/02/36/646320236.db2.gz ZIZJWOZUKFQNFS-ROKHWSDSSA-N 2 1 224.392 2.306 20 0 BEADMP CC(C)(C)SCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925584619 646346555 /nfs/dbraw/zinc/34/65/55/646346555.db2.gz QCSZFEJEVMTGAS-LLVKDONJSA-N 2 1 242.432 2.392 20 0 BEADMP CS[C@@H](C)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925584046 646346876 /nfs/dbraw/zinc/34/68/76/646346876.db2.gz AMBGLMGFNNPOFC-WDEREUQCSA-N 2 1 228.405 2.002 20 0 BEADMP CS[C@@H](C)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925584045 646347291 /nfs/dbraw/zinc/34/72/91/646347291.db2.gz AMBGLMGFNNPOFC-QWRGUYRKSA-N 2 1 228.405 2.002 20 0 BEADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925609324 646356570 /nfs/dbraw/zinc/35/65/70/646356570.db2.gz SKGWEFFJKVNQRI-JMSVASOKSA-N 2 1 248.370 2.053 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000929847670 646358027 /nfs/dbraw/zinc/35/80/27/646358027.db2.gz NAJZWNJBDDSNHV-KBXIAJHMSA-N 2 1 236.403 2.449 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000929847670 646358033 /nfs/dbraw/zinc/35/80/33/646358033.db2.gz NAJZWNJBDDSNHV-KBXIAJHMSA-N 2 1 236.403 2.449 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000929847670 646358037 /nfs/dbraw/zinc/35/80/37/646358037.db2.gz NAJZWNJBDDSNHV-KBXIAJHMSA-N 2 1 236.403 2.449 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC12CCC(CC1)C2 ZINC000925624746 646368987 /nfs/dbraw/zinc/36/89/87/646368987.db2.gz BDHUVYZRFOTMFO-AHPWVWPOSA-N 2 1 222.376 2.297 20 0 BEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCCS1 ZINC000925635197 646377677 /nfs/dbraw/zinc/37/76/77/646377677.db2.gz PDSRXOZCHRJXAK-MNOVXSKESA-N 2 1 228.405 2.002 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1cncc(F)c1 ZINC000925635932 646380843 /nfs/dbraw/zinc/38/08/43/646380843.db2.gz VCTNIFGMZRJYAL-ZWKOPEQDSA-N 2 1 249.333 2.141 20 0 BEADMP C1[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C12CCCC2 ZINC000925652699 646389588 /nfs/dbraw/zinc/38/95/88/646389588.db2.gz RXHVAAYHYUAPJX-VXGBXAGGSA-N 2 1 220.360 2.193 20 0 BEADMP CCC[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)OC ZINC000925679664 646406929 /nfs/dbraw/zinc/40/69/29/646406929.db2.gz KMYUDHQXVALUHU-CHWSQXEVSA-N 2 1 240.391 2.066 20 0 BEADMP Cc1cccnc1CCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925684109 646410990 /nfs/dbraw/zinc/41/09/90/646410990.db2.gz ZUAQPLWOWAWONZ-CQSZACIVSA-N 2 1 247.386 2.053 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CCC(F)CC1 ZINC000925705197 646429825 /nfs/dbraw/zinc/42/98/25/646429825.db2.gz AFKPSNYUZBNXTC-XVSSEFHLSA-N 2 1 228.355 2.245 20 0 BEADMP CC1(C)C[C@@]1(C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925707041 646431306 /nfs/dbraw/zinc/43/13/06/646431306.db2.gz NAYUWYWGTFIWLX-CMPLNLGQSA-N 2 1 208.349 2.049 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000925706277 646431378 /nfs/dbraw/zinc/43/13/78/646431378.db2.gz MSQNGNQCDAFLDT-VZZFWQQMSA-N 2 1 222.376 2.153 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000925708337 646433166 /nfs/dbraw/zinc/43/31/66/646433166.db2.gz SIIAZEBTZGVTED-GUBZILKMSA-N 2 1 232.318 2.008 20 0 BEADMP C[C@@H]([NH3+])[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1ccccc1 ZINC000925711828 646437677 /nfs/dbraw/zinc/43/76/77/646437677.db2.gz SJWCDQQVADYOBC-UMVBOHGHSA-N 3 1 249.402 2.182 20 0 BEADMP C[C@@H]([NH3+])[C@@H](N[C@H](C)CCCC[NH3+])c1ccccc1 ZINC000925711828 646437679 /nfs/dbraw/zinc/43/76/79/646437679.db2.gz SJWCDQQVADYOBC-UMVBOHGHSA-N 2 1 249.402 2.182 20 0 BEADMP CO[C@H]1C[C@@H](C[NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])C1 ZINC000925717425 646443108 /nfs/dbraw/zinc/44/31/08/646443108.db2.gz GGSGAWWFUCDFCO-VIRABCJISA-N 2 1 248.370 2.090 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)CC(F)F ZINC000925733916 646457120 /nfs/dbraw/zinc/45/71/20/646457120.db2.gz MZJOWAQCRCWMTA-VHSXEESVSA-N 2 1 234.334 2.255 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000925766986 646469359 /nfs/dbraw/zinc/46/93/59/646469359.db2.gz VVMXYDIAEFFGTG-HTOAHKCRSA-N 2 1 222.376 2.153 20 0 BEADMP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925787443 646483285 /nfs/dbraw/zinc/48/32/85/646483285.db2.gz SKWDOWSYRHFWQD-GMTAPVOTSA-N 2 1 230.421 2.104 20 0 BEADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)o1 ZINC000925790697 646485293 /nfs/dbraw/zinc/48/52/93/646485293.db2.gz JTYUSNISOHRINP-UTUOFQBUSA-N 2 1 236.359 2.348 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)o1 ZINC000925788698 646485953 /nfs/dbraw/zinc/48/59/53/646485953.db2.gz AZHKZIRMQYWRPQ-JLLWLGSASA-N 2 1 222.332 2.094 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1CCC=CCC1 ZINC000925879607 646529841 /nfs/dbraw/zinc/52/98/41/646529841.db2.gz AOCKOFQSPNGFEZ-GXTWGEPZSA-N 2 1 222.376 2.463 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000926448218 646640694 /nfs/dbraw/zinc/64/06/94/646640694.db2.gz WRCBVUJKTZVIRO-KBPBESRZSA-N 2 1 249.402 2.331 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000926448218 646640695 /nfs/dbraw/zinc/64/06/95/646640695.db2.gz WRCBVUJKTZVIRO-KBPBESRZSA-N 2 1 249.402 2.331 20 0 BEADMP Cc1ccsc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723713251 711535710 /nfs/dbraw/zinc/53/57/10/711535710.db2.gz WJDPWDIABDUDNU-LLVKDONJSA-N 2 1 224.373 2.227 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCCC12CC2 ZINC000706297747 712143911 /nfs/dbraw/zinc/14/39/11/712143911.db2.gz LVDUEGJTAVVGRI-XQQFMLRXSA-N 2 1 222.376 2.297 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000708208569 712184097 /nfs/dbraw/zinc/18/40/97/712184097.db2.gz YKJLQUOWKUPZSJ-AAVRWANBSA-N 2 1 224.392 2.339 20 0 BEADMP CC1(C)CO[C@H](C[N@H+]2CCCC[C@@H]2CC[NH3+])C1 ZINC000708325997 712186981 /nfs/dbraw/zinc/18/69/81/712186981.db2.gz ZBTPOEPRXBBSNA-OLZOCXBDSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@@H]1CC(C)(C)CO1 ZINC000708329099 712187187 /nfs/dbraw/zinc/18/71/87/712187187.db2.gz BFSIWOOYAHDVDE-RWMBFGLXSA-N 2 1 240.391 2.003 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@@H]1CC(C)(C)CO1 ZINC000708329099 712187189 /nfs/dbraw/zinc/18/71/89/712187189.db2.gz BFSIWOOYAHDVDE-RWMBFGLXSA-N 2 1 240.391 2.003 20 0 BEADMP CC(C)[C@@H]1C[N@@H+](CCCCCCC[NH3+])CCO1 ZINC000709019471 712206135 /nfs/dbraw/zinc/20/61/35/712206135.db2.gz MQJCIZOTSARXET-AWEZNQCLSA-N 2 1 242.407 2.252 20 0 BEADMP C[C@H]1CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000710943159 712266659 /nfs/dbraw/zinc/26/66/59/712266659.db2.gz JSXFDLAYQPLYQT-JTQLQIEISA-N 2 1 236.384 2.236 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000710943160 712266665 /nfs/dbraw/zinc/26/66/65/712266665.db2.gz JSXFDLAYQPLYQT-SNVBAGLBSA-N 2 1 236.384 2.236 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](CF)C2)CC[NH2+]1 ZINC000711463301 712304485 /nfs/dbraw/zinc/30/44/85/712304485.db2.gz VTLNKBUPHFJMJA-AGIUHOORSA-N 2 1 228.355 2.056 20 0 BEADMP [NH3+]CC[C@H]1CC[N@@H+](CCCc2ccsc2)C1 ZINC000923479845 712334393 /nfs/dbraw/zinc/33/43/93/712334393.db2.gz DGNWBVRJDZWJCM-LBPRGKRZSA-N 2 1 238.400 2.351 20 0 BEADMP C[C@@H]1c2sccc2CC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000712263438 712344969 /nfs/dbraw/zinc/34/49/69/712344969.db2.gz HMKZIFCVDRJGEU-MNOVXSKESA-N 2 1 236.384 2.277 20 0 BEADMP C=C/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000713738588 712470584 /nfs/dbraw/zinc/47/05/84/712470584.db2.gz FUUFJUFUTBMFJF-NMEQGOOXSA-N 2 1 220.360 2.180 20 0 BEADMP C=C/C=C\CC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000713735222 712470380 /nfs/dbraw/zinc/47/03/80/712470380.db2.gz NIMNBNQVYKRJBF-OEFFGFFESA-N 2 1 208.349 2.035 20 0 BEADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@H](CC[NH3+])C2)O1 ZINC000714339380 712482727 /nfs/dbraw/zinc/48/27/27/712482727.db2.gz SHVLJHFDPXOIEG-QWHCGFSZSA-N 2 1 240.391 2.005 20 0 BEADMP C[N@@H+](CCCF)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000716767141 712572789 /nfs/dbraw/zinc/57/27/89/712572789.db2.gz WELWGEGCNCJSLF-YHWZYXNKSA-N 2 1 228.355 2.199 20 0 BEADMP Cc1cccc([C@@H](C)[N@@H+](C)C[C@H](C)[NH3+])c1 ZINC000379828459 712615063 /nfs/dbraw/zinc/61/50/63/712615063.db2.gz YFUCUTXYNNWMBK-NWDGAFQWSA-N 2 1 206.333 2.335 20 0 BEADMP Cc1cccc([C@@H](C)[N@H+](C)C[C@H](C)[NH3+])c1 ZINC000379828459 712615064 /nfs/dbraw/zinc/61/50/64/712615064.db2.gz YFUCUTXYNNWMBK-NWDGAFQWSA-N 2 1 206.333 2.335 20 0 BEADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1cccs1 ZINC000717310731 712646155 /nfs/dbraw/zinc/64/61/55/712646155.db2.gz UQRMSDXKSGBDSZ-SECBINFHSA-N 2 1 246.326 2.083 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]2C)C1 ZINC000379998801 712651655 /nfs/dbraw/zinc/65/16/55/712651655.db2.gz LIUIRKUBVWPABZ-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP CC(F)(F)CCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000718570712 712774694 /nfs/dbraw/zinc/77/46/94/712774694.db2.gz KKNRIBJQRJOSPO-SNVBAGLBSA-N 2 1 220.307 2.093 20 0 BEADMP C[C@H]1CC[N@@H+](CCCC(C)(F)F)C[C@H]1C[NH3+] ZINC000718570268 712775252 /nfs/dbraw/zinc/77/52/52/712775252.db2.gz JJFKHMLOJIXFSL-WDEREUQCSA-N 2 1 234.334 2.339 20 0 BEADMP CC(F)(F)CCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000718583536 712775771 /nfs/dbraw/zinc/77/57/71/712775771.db2.gz KRSJONZQHOAUDX-TUAOUCFPSA-N 2 1 246.345 2.481 20 0 BEADMP C(C[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21)C1CCCC1 ZINC000720905500 712877008 /nfs/dbraw/zinc/87/70/08/712877008.db2.gz YZQMKIWOYNZRDJ-ZIAGYGMSSA-N 2 1 222.376 2.393 20 0 BEADMP C(C[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21)C1CCCC1 ZINC000720905500 712877009 /nfs/dbraw/zinc/87/70/09/712877009.db2.gz YZQMKIWOYNZRDJ-ZIAGYGMSSA-N 2 1 222.376 2.393 20 0 BEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC[C@H]2C)C1 ZINC000381531626 710651478 /nfs/dbraw/zinc/65/14/78/710651478.db2.gz ZIPXNWAKXMKKGR-RDBSUJKOSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000384159243 710672234 /nfs/dbraw/zinc/67/22/34/710672234.db2.gz MZQJUPGTUNZOCV-OPRDCNLKSA-N 2 1 220.307 2.089 20 0 BEADMP C[C@@H]1SCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000381825925 710725123 /nfs/dbraw/zinc/72/51/23/710725123.db2.gz MHNOWAFARQPAGV-OFIBSPLFSA-N 2 1 240.416 2.095 20 0 BEADMP c1cc([C@@H]2CCC[N@H+]2CCC[NH2+]C2CC2)ccn1 ZINC000384589418 710922436 /nfs/dbraw/zinc/92/24/36/710922436.db2.gz BZTQFVAXCLJSDU-HNNXBMFYSA-N 2 1 245.370 2.361 20 0 BEADMP c1cc([C@@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)ccn1 ZINC000384589418 710922440 /nfs/dbraw/zinc/92/24/40/710922440.db2.gz BZTQFVAXCLJSDU-HNNXBMFYSA-N 2 1 245.370 2.361 20 0 BEADMP CC(C)[C@H](C[NH2+][C@@H]1CC[C@H]1C)[NH+]1CCCC1 ZINC000380604218 712901796 /nfs/dbraw/zinc/90/17/96/712901796.db2.gz WCIMJQJDANTJDE-MCIONIFRSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)(C)[C@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000380612378 712901983 /nfs/dbraw/zinc/90/19/83/712901983.db2.gz YMTHLMKMMAUMHQ-VHSXEESVSA-N 2 1 234.334 2.337 20 0 BEADMP C[C@H]([N@@H+](C)C[C@]1(C)CCC[NH2+]C1)C1(C)CC1 ZINC000385467756 711013647 /nfs/dbraw/zinc/01/36/47/711013647.db2.gz ORWSYBSOILDMJJ-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1ccccc1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000385621027 711016623 /nfs/dbraw/zinc/01/66/23/711016623.db2.gz QFEBPGWMLUAOMJ-RFBLXINOSA-N 2 1 242.366 2.081 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]CCC(C)(C)SC)C1 ZINC000385793972 711018111 /nfs/dbraw/zinc/01/81/11/711018111.db2.gz FMHPKKGVMWYSRC-LBPRGKRZSA-N 2 1 244.448 2.450 20 0 BEADMP CSC(C)(C)CC[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000385843226 711018264 /nfs/dbraw/zinc/01/82/64/711018264.db2.gz OBSJVFUHIXUMPK-GFCCVEGCSA-N 2 1 244.448 2.450 20 0 BEADMP CCC1(CC)CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000390099492 711105501 /nfs/dbraw/zinc/10/55/01/711105501.db2.gz ONQPRYGVWLANTL-JTQLQIEISA-N 2 1 234.334 2.481 20 0 BEADMP CCC1(CC)CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000390099492 711105505 /nfs/dbraw/zinc/10/55/05/711105505.db2.gz ONQPRYGVWLANTL-JTQLQIEISA-N 2 1 234.334 2.481 20 0 BEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCCC1CC1 ZINC000394502772 711193506 /nfs/dbraw/zinc/19/35/06/711193506.db2.gz RPYVCTHWZWBEFJ-CYBMUJFWSA-N 2 1 210.365 2.380 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000394125279 711184650 /nfs/dbraw/zinc/18/46/50/711184650.db2.gz BJFOHZGEMGXAJR-GVRJEKJASA-N 2 1 242.366 2.081 20 0 BEADMP CC[C@H]1C[N@@H+](CCCC2CC2)CC[C@H]1[NH3+] ZINC000394569089 711195624 /nfs/dbraw/zinc/19/56/24/711195624.db2.gz PDFMDFMPYRTMJC-QWHCGFSZSA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@H]1C[N@@H+](CCCC2CC2)CC[C@@H]1[NH3+] ZINC000394569092 711195878 /nfs/dbraw/zinc/19/58/78/711195878.db2.gz PDFMDFMPYRTMJC-STQMWFEESA-N 2 1 210.365 2.236 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCCC1CC1 ZINC000394631785 711196492 /nfs/dbraw/zinc/19/64/92/711196492.db2.gz VILRMDADNFIDQF-CYBMUJFWSA-N 2 1 212.381 2.482 20 0 BEADMP C[N@@H+](C[C@H]([NH3+])CC(F)F)C1CC(C)(C)C1 ZINC000395467795 711211802 /nfs/dbraw/zinc/21/18/02/711211802.db2.gz SOWSDUWJGOUUGH-MRVPVSSYSA-N 2 1 220.307 2.089 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000396547188 711352907 /nfs/dbraw/zinc/35/29/07/711352907.db2.gz CPTWGGJXMBRUDG-RISCZKNCSA-N 2 1 236.334 2.098 20 0 BEADMP CSC1(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CCC1 ZINC000396541577 711353331 /nfs/dbraw/zinc/35/33/31/711353331.db2.gz ATDKCCVTFAWOSI-GHMZBOCLSA-N 2 1 228.405 2.002 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCC(F)(F)F ZINC000396615733 711361922 /nfs/dbraw/zinc/36/19/22/711361922.db2.gz GEPNKVHGGKTQNG-RKDXNWHRSA-N 2 1 224.270 2.059 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000396596499 711355813 /nfs/dbraw/zinc/35/58/13/711355813.db2.gz FOHWFRNSAWKEFG-YPMHNXCESA-N 2 1 222.376 2.297 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000396584569 711357133 /nfs/dbraw/zinc/35/71/33/711357133.db2.gz GZIPDPUSTJDSRJ-AXFHLTTASA-N 2 1 232.318 2.152 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000396613900 711358106 /nfs/dbraw/zinc/35/81/06/711358106.db2.gz KYPBIISCIZTRPQ-MWLCHTKSSA-N 2 1 232.318 2.294 20 0 BEADMP CC[C@@]1(C)CC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000399397595 711428909 /nfs/dbraw/zinc/42/89/09/711428909.db2.gz MVWUFKDADZVNJW-KOLCDFICSA-N 2 1 220.307 2.091 20 0 BEADMP CC[C@@]1(C)CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000399397595 711428911 /nfs/dbraw/zinc/42/89/11/711428911.db2.gz MVWUFKDADZVNJW-KOLCDFICSA-N 2 1 220.307 2.091 20 0 BEADMP CC[C@]1(C)CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000399383996 711429199 /nfs/dbraw/zinc/42/91/99/711429199.db2.gz PZPCTBPFMUTAJJ-FRRDWIJNSA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000723119091 710725759 /nfs/dbraw/zinc/72/57/59/710725759.db2.gz WPJIOWAVRJUGPP-MROQNXINSA-N 2 1 210.365 2.092 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC3CCC2CC3)C1 ZINC000394214667 711188698 /nfs/dbraw/zinc/18/86/98/711188698.db2.gz CZJMYWCOHGBGQE-JYVUQVBGSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396725674 711368870 /nfs/dbraw/zinc/36/88/70/711368870.db2.gz VYJXRHSHARTTLC-FDYHWXHSSA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)C[C@@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000396964929 711373723 /nfs/dbraw/zinc/37/37/23/711373723.db2.gz DCDFVDCNAOAGQH-QWRGUYRKSA-N 2 1 234.334 2.479 20 0 BEADMP CC(C)C[C@@H]1CCC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000396964928 711374113 /nfs/dbraw/zinc/37/41/13/711374113.db2.gz DCDFVDCNAOAGQH-MNOVXSKESA-N 2 1 234.334 2.479 20 0 BEADMP C[C@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)CC(F)(F)F ZINC000397010446 711374412 /nfs/dbraw/zinc/37/44/12/711374412.db2.gz MTRDHGWNGRHBLO-GUBZILKMSA-N 2 1 238.297 2.305 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000723132746 711506522 /nfs/dbraw/zinc/50/65/22/711506522.db2.gz CMXYLIOAFQATHT-CBBWQLFWSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000723132750 711506610 /nfs/dbraw/zinc/50/66/10/711506610.db2.gz CMXYLIOAFQATHT-QPSCCSFWSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H](C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000723455162 711512033 /nfs/dbraw/zinc/51/20/33/711512033.db2.gz GPMHLKIBQHNTNL-OUCADQQQSA-N 2 1 218.344 2.069 20 0 BEADMP C[C@@H](C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000723455162 711512037 /nfs/dbraw/zinc/51/20/37/711512037.db2.gz GPMHLKIBQHNTNL-OUCADQQQSA-N 2 1 218.344 2.069 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000723569188 711518431 /nfs/dbraw/zinc/51/84/31/711518431.db2.gz OUGHEAKOBDRGGX-GFCCVEGCSA-N 2 1 233.359 2.275 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1C ZINC000723690544 711533869 /nfs/dbraw/zinc/53/38/69/711533869.db2.gz RLQWWWPDZTWOFH-ZDUSSCGKSA-N 2 1 248.370 2.174 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723678358 711534059 /nfs/dbraw/zinc/53/40/59/711534059.db2.gz JZZPOORMCCEWGF-MGPQQGTHSA-N 2 1 224.392 2.483 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000723713938 711535913 /nfs/dbraw/zinc/53/59/13/711535913.db2.gz XSYUVDCQQFZHEX-NFBGWVBBSA-N 2 1 230.355 2.371 20 0 BEADMP C[C@@H]1C[N@@H+](CCCC2CC2)C[C@H]1CC[NH3+] ZINC000723895600 711543991 /nfs/dbraw/zinc/54/39/91/711543991.db2.gz XSCMFUUSGYWNRD-DGCLKSJQSA-N 2 1 210.365 2.093 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000723910542 711545080 /nfs/dbraw/zinc/54/50/80/711545080.db2.gz VIZTZJUEJGGADX-UKRRQHHQSA-N 2 1 232.371 2.412 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCC2CC=CC2)CC[N@H+]1C ZINC000724184475 711566950 /nfs/dbraw/zinc/56/69/50/711566950.db2.gz IXZAAVISTJCOKR-TZMCWYRMSA-N 2 1 222.376 2.415 20 0 BEADMP C[C@H]1CC[C@@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000309044627 711586230 /nfs/dbraw/zinc/58/62/30/711586230.db2.gz MFAZMKOYNSSASL-RYUDHWBXSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000396564327 711701854 /nfs/dbraw/zinc/70/18/54/711701854.db2.gz UZCMVLIBFLMCEQ-WHOFXGATSA-N 2 1 230.355 2.056 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CCCCS1 ZINC000396570680 711701928 /nfs/dbraw/zinc/70/19/28/711701928.db2.gz LESRLRDMRVBBSK-QJPTWQEYSA-N 2 1 228.405 2.002 20 0 BEADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccn1 ZINC000925714080 711712249 /nfs/dbraw/zinc/71/22/49/711712249.db2.gz NOVJDYRXKQYSJY-GXTWGEPZSA-N 2 1 245.370 2.059 20 0 BEADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3n[nH]cc32)CCCCC1 ZINC000335008162 711719557 /nfs/dbraw/zinc/71/95/57/711719557.db2.gz HHFSJRMVMDTSGW-GFCCVEGCSA-N 2 1 248.374 2.038 20 0 BEADMP CC[C@]1(C)CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000399452881 711747436 /nfs/dbraw/zinc/74/74/36/711747436.db2.gz IVVJIJRYMFYLDA-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP CC[N@@H+](CCC(F)(F)F)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000708324952 711956054 /nfs/dbraw/zinc/95/60/54/711956054.db2.gz DZCRENGMZAMOOH-ZJUUUORDSA-N 2 1 238.297 2.388 20 0 BEADMP CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000700256314 711989385 /nfs/dbraw/zinc/98/93/85/711989385.db2.gz GADDYEBBHZIUJL-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H](CC[NH2+]Cc1cccs1)[NH+](C)C ZINC000700489243 711994695 /nfs/dbraw/zinc/99/46/95/711994695.db2.gz PKHYRYLVFMHRIC-SNVBAGLBSA-N 2 1 212.362 2.178 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](CCF)C2)C1 ZINC000701895187 712031852 /nfs/dbraw/zinc/03/18/52/712031852.db2.gz CHDLQOCNUXNZNK-RWMBFGLXSA-N 2 1 228.355 2.185 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@]1(C)CC1(C)C ZINC000701943821 712032426 /nfs/dbraw/zinc/03/24/26/712032426.db2.gz LPQWDNSXZOUIJP-GVXVVHGQSA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)(CC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)C1CC1 ZINC000702105038 712038508 /nfs/dbraw/zinc/03/85/08/712038508.db2.gz VKMPHHRMVAAOSW-DZGCQCFKSA-N 2 1 236.403 2.354 20 0 BEADMP CCC[C@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000703447522 712075810 /nfs/dbraw/zinc/07/58/10/712075810.db2.gz LVZWXAISRKHMIO-XQQFMLRXSA-N 2 1 210.365 2.378 20 0 BEADMP Cc1ccccc1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703549684 712078799 /nfs/dbraw/zinc/07/87/99/712078799.db2.gz KOQOKZDVZLESIC-LSDHHAIUSA-N 2 1 230.355 2.036 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000703550958 712078865 /nfs/dbraw/zinc/07/88/65/712078865.db2.gz ZTNWXMYLMOLITP-LSDHHAIUSA-N 2 1 230.355 2.036 20 0 BEADMP C[C@H]1CCCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000703659607 712082715 /nfs/dbraw/zinc/08/27/15/712082715.db2.gz BAQDEUCIOQZFBR-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP CC[N@@H+](CC1CC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000703798093 712087302 /nfs/dbraw/zinc/08/73/02/712087302.db2.gz XJVWVGBXGKUBPJ-AGUYFDCRSA-N 2 1 222.376 2.249 20 0 BEADMP CC[C@@H](C)C[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000703893634 712092801 /nfs/dbraw/zinc/09/28/01/712092801.db2.gz GAHYCIRASKJNGH-RLAWYHOSSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CCCC12CC2 ZINC000706297744 712143813 /nfs/dbraw/zinc/14/38/13/712143813.db2.gz LVDUEGJTAVVGRI-RWMBFGLXSA-N 2 1 222.376 2.297 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCCC12CC2 ZINC000706916706 712158173 /nfs/dbraw/zinc/15/81/73/712158173.db2.gz JKHPRCIGUVPUQA-SRVKXCTJSA-N 2 1 208.349 2.049 20 0 BEADMP CSC1CC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000706927319 712161476 /nfs/dbraw/zinc/16/14/76/712161476.db2.gz GSQRQQHTWZHUQP-GMKTYKIGSA-N 2 1 240.416 2.097 20 0 BEADMP CCC[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000708522019 712212256 /nfs/dbraw/zinc/21/22/56/712212256.db2.gz ZPBZHTJQYKPWOB-UPJWGTAASA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000710639294 712264970 /nfs/dbraw/zinc/26/49/70/712264970.db2.gz BQUJSIOIRVYZMH-NDKCEZKHSA-N 2 1 222.376 2.153 20 0 BEADMP [NH3+]CCCCCC[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000382871277 712282282 /nfs/dbraw/zinc/28/22/82/712282282.db2.gz PGLCEYSHPMQRHO-OKILXGFUSA-N 2 1 222.376 2.404 20 0 BEADMP FC[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000711444814 712300593 /nfs/dbraw/zinc/30/05/93/712300593.db2.gz RBAGMAGMPGNHIT-STQMWFEESA-N 2 1 228.355 2.058 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](CF)C1 ZINC000711484472 712306325 /nfs/dbraw/zinc/30/63/25/712306325.db2.gz MIAAYJUXWWWXRJ-LBPRGKRZSA-N 2 1 216.344 2.187 20 0 BEADMP FC[C@@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000711507113 712307953 /nfs/dbraw/zinc/30/79/53/712307953.db2.gz IHLARTCAIRHOIB-PBNFFQIGSA-N 2 1 240.366 2.199 20 0 BEADMP Cc1csc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000379285793 712372342 /nfs/dbraw/zinc/37/23/42/712372342.db2.gz SPDMJLPQZAGERA-GOCOPAARSA-N 2 1 248.395 2.143 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)CC[N@H+]1C ZINC000712636128 712438970 /nfs/dbraw/zinc/43/89/70/712438970.db2.gz HBGVIVXLDJKQNZ-NGFQHRJXSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)CC[N@H+]1C ZINC000712636120 712439370 /nfs/dbraw/zinc/43/93/70/712439370.db2.gz HBGVIVXLDJKQNZ-MYPMTAMASA-N 2 1 236.403 2.495 20 0 BEADMP C(C1CCCC1)[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713172757 712453148 /nfs/dbraw/zinc/45/31/48/712453148.db2.gz BKLLQRGJANCREI-UHFFFAOYSA-N 2 1 222.376 2.395 20 0 BEADMP C(C1CCC1)[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713158508 712453385 /nfs/dbraw/zinc/45/33/85/712453385.db2.gz NDARWRDINCTJMA-UHFFFAOYSA-N 2 1 208.349 2.005 20 0 BEADMP C=C/C=C/CC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000713640267 712467766 /nfs/dbraw/zinc/46/77/66/712467766.db2.gz FJVKZSNFYFOAIF-DLPZHFSESA-N 2 1 220.360 2.050 20 0 BEADMP C=C/C=C\CC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713756964 712471924 /nfs/dbraw/zinc/47/19/24/712471924.db2.gz XNUUPSRQYYQRKD-ARJAWSKDSA-N 2 1 220.360 2.337 20 0 BEADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCCC(C)(F)F ZINC000713968390 712475519 /nfs/dbraw/zinc/47/55/19/712475519.db2.gz PUBMPXPAZYDLHN-JTQLQIEISA-N 2 1 222.323 2.385 20 0 BEADMP CCC1([NH3+])CC[NH+](Cc2ccc(C)cn2)CC1 ZINC000714759813 712498352 /nfs/dbraw/zinc/49/83/52/712498352.db2.gz XOPDYCGSFFVGTL-UHFFFAOYSA-N 2 1 233.359 2.093 20 0 BEADMP CCc1nc(N[C@@H](C)C2CC[NH2+]CC2)cc(C)[nH+]1 ZINC000716620067 712567668 /nfs/dbraw/zinc/56/76/68/712567668.db2.gz NQOXMOPFJLRZFU-NSHDSACASA-N 2 1 248.374 2.147 20 0 BEADMP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000716629514 712568126 /nfs/dbraw/zinc/56/81/26/712568126.db2.gz WMBHTKJQTPYJPW-GUYJKWIASA-N 2 1 248.414 2.495 20 0 BEADMP C[C@H]1CC(F)(F)CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717925896 712734026 /nfs/dbraw/zinc/73/40/26/712734026.db2.gz ZQGOJOJUKFQWLT-AXFHLTTASA-N 2 1 232.318 2.233 20 0 BEADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C2CCC=CCC2)C1 ZINC000718018982 712736746 /nfs/dbraw/zinc/73/67/46/712736746.db2.gz MSKUSGFJCPIPNJ-AAEUAGOBSA-N 2 1 208.349 2.073 20 0 BEADMP CSCC1CC[NH+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000719222073 712800539 /nfs/dbraw/zinc/80/05/39/712800539.db2.gz VBRJWUKQPLGOQD-ZDUSSCGKSA-N 2 1 244.448 2.435 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])CCc1ccns1 ZINC000719873226 712824781 /nfs/dbraw/zinc/82/47/81/712824781.db2.gz PTYUZGVZFWJCDZ-UHFFFAOYSA-N 2 1 241.404 2.137 20 0 BEADMP CC(C)CC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720806739 712867335 /nfs/dbraw/zinc/86/73/35/712867335.db2.gz RAOPMJCQJXMOQS-UWVGGRQHSA-N 2 1 238.297 2.102 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(C)CC(F)(F)C1 ZINC000720902321 712875615 /nfs/dbraw/zinc/87/56/15/712875615.db2.gz VVKCLCZDHKKYBR-UWVGGRQHSA-N 2 1 232.318 2.152 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC(F)(F)C2)CC[N@H+]1C ZINC000720934285 712879923 /nfs/dbraw/zinc/87/99/23/712879923.db2.gz FUVCJNYCPMLIEE-MNOVXSKESA-N 2 1 246.345 2.494 20 0 BEADMP C[C@H]1CCCC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208607295 957094724 /nfs/dbraw/zinc/09/47/24/957094724.db2.gz LHZBQFMSYMRETG-UONOGXRCSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@H]1CCCC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208607295 957094731 /nfs/dbraw/zinc/09/47/31/957094731.db2.gz LHZBQFMSYMRETG-UONOGXRCSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@H]1CCCC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208607295 957094743 /nfs/dbraw/zinc/09/47/43/957094743.db2.gz LHZBQFMSYMRETG-UONOGXRCSA-N 2 1 224.392 2.450 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](C3CCC3)C2)C1 ZINC000692980159 957203982 /nfs/dbraw/zinc/20/39/82/957203982.db2.gz SMUOWSQKTGFRGB-FPMFFAJLSA-N 2 1 222.376 2.236 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]([NH3+])CC2)C[C@H](C)O1 ZINC000724501243 957317362 /nfs/dbraw/zinc/31/73/62/957317362.db2.gz JKLWLUYTUFTJCB-XJFOESAGSA-N 2 1 240.391 2.003 20 0 BEADMP [NH3+]C[C@@H]1C[N@@H+](CCC2CCCC2)CCC1(F)F ZINC000403285768 958440938 /nfs/dbraw/zinc/44/09/38/958440938.db2.gz QXPQDCJGLSBYJT-GFCCVEGCSA-N 2 1 246.345 2.483 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000300357224 959378837 /nfs/dbraw/zinc/37/88/37/959378837.db2.gz WFQNINHMWRBAKM-CRWXNKLISA-N 2 1 224.392 2.352 20 0 BEADMP CCc1ccccc1C[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC000405848894 959525007 /nfs/dbraw/zinc/52/50/07/959525007.db2.gz LKFKVLVXZQYVAC-CQSZACIVSA-N 2 1 218.344 2.172 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@@](C)([NH3+])C1 ZINC000405848894 959525020 /nfs/dbraw/zinc/52/50/20/959525020.db2.gz LKFKVLVXZQYVAC-CQSZACIVSA-N 2 1 218.344 2.172 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2CCC3(CCC3)C2)CC[NH2+]1 ZINC000709451159 960610864 /nfs/dbraw/zinc/61/08/64/960610864.db2.gz WRKZAKOIWTZMSD-NWDGAFQWSA-N 2 1 208.349 2.003 20 0 BEADMP CCC[N@@H+](CCOC)C1CCC([NH+](C)C)CC1 ZINC001168315763 964422846 /nfs/dbraw/zinc/42/28/46/964422846.db2.gz NYLQQHAAPYRFQL-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001205094178 965724509 /nfs/dbraw/zinc/72/45/09/965724509.db2.gz JZCNXXCZYYAIRK-CRWXNKLISA-N 2 1 220.360 2.012 20 0 BEADMP CCc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)o1 ZINC001205094985 965734064 /nfs/dbraw/zinc/73/40/64/965734064.db2.gz SLBCMECTSLGESJ-LLVKDONJSA-N 2 1 222.332 2.155 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cs1 ZINC001205124200 965886982 /nfs/dbraw/zinc/88/69/82/965886982.db2.gz LIACYQGJVIKDFB-GFCCVEGCSA-N 2 1 224.373 2.370 20 0 BEADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000692976465 1165773972 /nfs/dbraw/zinc/77/39/72/1165773972.db2.gz SZSPASFJVUOROL-VXGBXAGGSA-N 2 1 246.345 2.481 20 0 BEADMP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000692976465 1165773977 /nfs/dbraw/zinc/77/39/77/1165773977.db2.gz SZSPASFJVUOROL-VXGBXAGGSA-N 2 1 246.345 2.481 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]CC3(C)CCC3)[C@H]2C1 ZINC001204089351 966890714 /nfs/dbraw/zinc/89/07/14/966890714.db2.gz MGVNUHXCBGEYHC-RWMBFGLXSA-N 2 1 222.376 2.106 20 0 BEADMP [NH3+]CCCC[N@@H+](Cc1ccccc1)C1CC1 ZINC000036128191 1165873964 /nfs/dbraw/zinc/87/39/64/1165873964.db2.gz IYEJDJUNCSOXSI-UHFFFAOYSA-N 2 1 218.344 2.390 20 0 BEADMP CC/C=C\CCC[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001206037993 967997741 /nfs/dbraw/zinc/99/77/41/967997741.db2.gz ZUPIKXIMGMFAQE-DIABFLQPSA-N 2 1 210.365 2.402 20 0 BEADMP C[C@]1(C[NH3+])CCC[N@@H+](C[C@H]2CCCCO2)CC1 ZINC001206297259 968204585 /nfs/dbraw/zinc/20/45/85/968204585.db2.gz XAJUKPBXVFTJBG-KGLIPLIRSA-N 2 1 240.391 2.006 20 0 BEADMP CC(C)(C)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206297272 968204983 /nfs/dbraw/zinc/20/49/83/968204983.db2.gz XEFGZQVEVRGSGM-CYBMUJFWSA-N 2 1 212.381 2.483 20 0 BEADMP C[NH2+]CC[C@H]1CCCC[N@H+]1CC1CCC1 ZINC000083839997 1165934828 /nfs/dbraw/zinc/93/48/28/1165934828.db2.gz QVGJUZIJYZOTRL-CYBMUJFWSA-N 2 1 210.365 2.251 20 0 BEADMP C[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000070628980 1165940233 /nfs/dbraw/zinc/94/02/33/1165940233.db2.gz ROPAHKDLQPTULG-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cncs2)C1 ZINC001206549548 968375711 /nfs/dbraw/zinc/37/57/11/968375711.db2.gz OQDPOYVGKAILJU-GFCCVEGCSA-N 2 1 239.388 2.094 20 0 BEADMP CC(C)[N@@H+](CCCCCO)[C@H]1CCC[NH2+]CC1 ZINC001206582908 968401278 /nfs/dbraw/zinc/40/12/78/968401278.db2.gz PUALVPGVHMKOIW-AWEZNQCLSA-N 2 1 242.407 2.002 20 0 BEADMP CCc1ccccc1C[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC000086300316 1165987922 /nfs/dbraw/zinc/98/79/22/1165987922.db2.gz COHYDWYADIRJOK-ZDUSSCGKSA-N 2 1 232.371 2.433 20 0 BEADMP CCc1ccccc1C[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC000086300316 1165987928 /nfs/dbraw/zinc/98/79/28/1165987928.db2.gz COHYDWYADIRJOK-ZDUSSCGKSA-N 2 1 232.371 2.433 20 0 BEADMP C[C@@H]1CC[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)C1 ZINC000085869184 968508211 /nfs/dbraw/zinc/50/82/11/968508211.db2.gz GLRZLXGJJPLQRQ-IKWCTNDRSA-N 2 1 210.365 2.377 20 0 BEADMP COc1ccc(CC[C@@H](C)[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000257362713 1166060374 /nfs/dbraw/zinc/06/03/74/1166060374.db2.gz PXWRKOAPKOUWHX-TZMCWYRMSA-N 2 1 248.370 2.049 20 0 BEADMP COc1ccc(CC[C@@H](C)[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000257362713 1166060378 /nfs/dbraw/zinc/06/03/78/1166060378.db2.gz PXWRKOAPKOUWHX-TZMCWYRMSA-N 2 1 248.370 2.049 20 0 BEADMP [NH3+]CCCC[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000082790937 1166080184 /nfs/dbraw/zinc/08/01/84/1166080184.db2.gz UCERYENIPYPEHN-UHFFFAOYSA-N 2 1 238.762 2.437 20 0 BEADMP c1csc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC000250080357 1166085518 /nfs/dbraw/zinc/08/55/18/1166085518.db2.gz ICZBDOCCOOFFDD-WCQYABFASA-N 2 1 236.384 2.322 20 0 BEADMP c1csc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC000250080357 1166085524 /nfs/dbraw/zinc/08/55/24/1166085524.db2.gz ICZBDOCCOOFFDD-WCQYABFASA-N 2 1 236.384 2.322 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CC[C@](C)(F)[C@@H](F)C2)CC1 ZINC001207395046 968751386 /nfs/dbraw/zinc/75/13/86/968751386.db2.gz OJXSXWNQMFYGCH-STQMWFEESA-N 2 1 246.345 2.100 20 0 BEADMP C1C[C@@H]2CCC[N@H+]([C@@H]3CCC[NH2+]C3)[C@@H]2C1 ZINC000083701099 1166114656 /nfs/dbraw/zinc/11/46/56/1166114656.db2.gz DBLMOVNQZLUWJV-JHJVBQTASA-N 2 1 208.349 2.003 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@H]3CCC[C@@H]32)C[NH2+]1 ZINC000083701226 1166114870 /nfs/dbraw/zinc/11/48/70/1166114870.db2.gz VEUCWUGYRDUPKE-MQYQWHSLSA-N 2 1 222.376 2.391 20 0 BEADMP C[N@@H+](CCC1CC[NH+](C)CC1)C1CC(F)(F)C1 ZINC001207479409 968793001 /nfs/dbraw/zinc/79/30/01/968793001.db2.gz IEXJELVFLDSVEC-UHFFFAOYSA-N 2 1 246.345 2.448 20 0 BEADMP C[N@H+]1CCC[C@@]2(CCCN(c3cc[nH+]cc3)C2)C1 ZINC000224245886 1166218937 /nfs/dbraw/zinc/21/89/37/1166218937.db2.gz ISOSLUUSNASCCE-OAHLLOKOSA-N 2 1 245.370 2.394 20 0 BEADMP CS[C@H](C)CC[N@@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001208151182 969075745 /nfs/dbraw/zinc/07/57/45/969075745.db2.gz SYVHKGRQADSZJL-AGIUHOORSA-N 2 1 242.432 2.154 20 0 BEADMP CSCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000228873536 1166223875 /nfs/dbraw/zinc/22/38/75/1166223875.db2.gz MUPGEYUWBCQWLZ-RYUDHWBXSA-N 2 1 230.421 2.059 20 0 BEADMP CS[C@H](C)CC[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001208156702 969083894 /nfs/dbraw/zinc/08/38/94/969083894.db2.gz YBFWXPVZJIXRLM-JHJVBQTASA-N 2 1 242.432 2.012 20 0 BEADMP C[C@H]1CC[N@H+]1CC1(C[NH+](C)C)CCCC1 ZINC001208185288 969117757 /nfs/dbraw/zinc/11/77/57/969117757.db2.gz ZPLXZWBEQJPZAI-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP CCC[N@H+](CC1CC1)C[C@@H]1CCC[NH+](C)C1 ZINC001208604386 969158005 /nfs/dbraw/zinc/15/80/05/969158005.db2.gz NZDFQCVDXUWTBN-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[N@@H+](CC1CC1)C[C@@H]1CCC[NH+](C)C1 ZINC001208604386 969158011 /nfs/dbraw/zinc/15/80/11/969158011.db2.gz NZDFQCVDXUWTBN-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[NH+](CC1CC1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208604386 969158015 /nfs/dbraw/zinc/15/80/15/969158015.db2.gz NZDFQCVDXUWTBN-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[NH+](CC1CC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208604386 969158018 /nfs/dbraw/zinc/15/80/18/969158018.db2.gz NZDFQCVDXUWTBN-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208604404 969157071 /nfs/dbraw/zinc/15/70/71/969157071.db2.gz OIEZOHZUNMGNJU-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208604404 969157073 /nfs/dbraw/zinc/15/70/73/969157073.db2.gz OIEZOHZUNMGNJU-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC001208604404 969157080 /nfs/dbraw/zinc/15/70/80/969157080.db2.gz OIEZOHZUNMGNJU-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC001208604404 969157083 /nfs/dbraw/zinc/15/70/83/969157083.db2.gz OIEZOHZUNMGNJU-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP FC(F)(F)CC[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000226918690 1166378729 /nfs/dbraw/zinc/37/87/29/1166378729.db2.gz IHEMAWVUQUULFZ-NXEZZACHSA-N 2 1 236.281 2.013 20 0 BEADMP FC(F)(F)CC[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000226918690 1166378739 /nfs/dbraw/zinc/37/87/39/1166378739.db2.gz IHEMAWVUQUULFZ-NXEZZACHSA-N 2 1 236.281 2.013 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC000228004443 1166381317 /nfs/dbraw/zinc/38/13/17/1166381317.db2.gz QWGHVWHNCNQCIH-SMDDNHRTSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC000228004443 1166381325 /nfs/dbraw/zinc/38/13/25/1166381325.db2.gz QWGHVWHNCNQCIH-SMDDNHRTSA-N 2 1 232.371 2.473 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCSCC1)C2 ZINC001169092212 969413637 /nfs/dbraw/zinc/41/36/37/969413637.db2.gz ZYBXHPOQEWPRAR-CLLJXQQHSA-N 2 1 240.416 2.097 20 0 BEADMP C[C@@H]1C[C@H](F)C[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126105 969423771 /nfs/dbraw/zinc/42/37/71/969423771.db2.gz PPDIHFOCCWNNPC-FHUSYTEZSA-N 2 1 226.339 2.044 20 0 BEADMP C[C@@H]1C[C@H](F)C[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126105 969423774 /nfs/dbraw/zinc/42/37/74/969423774.db2.gz PPDIHFOCCWNNPC-FHUSYTEZSA-N 2 1 226.339 2.044 20 0 BEADMP C[C@@H]1C[C@H](F)C[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126105 969423780 /nfs/dbraw/zinc/42/37/80/969423780.db2.gz PPDIHFOCCWNNPC-FHUSYTEZSA-N 2 1 226.339 2.044 20 0 BEADMP C[C@@H]1C[C@H](F)C[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126105 969423784 /nfs/dbraw/zinc/42/37/84/969423784.db2.gz PPDIHFOCCWNNPC-FHUSYTEZSA-N 2 1 226.339 2.044 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC3(CCC3)C1)C2 ZINC001169131181 969440763 /nfs/dbraw/zinc/44/07/63/969440763.db2.gz REISESMQUMFHCL-CLLJXQQHSA-N 2 1 220.360 2.098 20 0 BEADMP C[N@@H+]1CCC[C@H]([NH2+][C@H]2COc3ccccc32)CC1 ZINC000250625215 1166417570 /nfs/dbraw/zinc/41/75/70/1166417570.db2.gz PZRXIONPXYWJJZ-JSGCOSHPSA-N 2 1 246.354 2.194 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2COc3ccccc32)CC1 ZINC000250625215 1166417576 /nfs/dbraw/zinc/41/75/76/1166417576.db2.gz PZRXIONPXYWJJZ-JSGCOSHPSA-N 2 1 246.354 2.194 20 0 BEADMP CC[NH+]1CCC([NH+]2CC3(C2)CCCC3)CC1 ZINC001169245653 969533252 /nfs/dbraw/zinc/53/32/52/969533252.db2.gz HBGULICJEAXVCF-UHFFFAOYSA-N 2 1 222.376 2.347 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H]3CCC[C@@H]32)CC[NH2+]1 ZINC000252953132 1166448839 /nfs/dbraw/zinc/44/88/39/1166448839.db2.gz QBFULICUBVNLID-SYQHCUMBSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H]3CCC[C@@H]32)CC[NH2+]1 ZINC000252953132 1166448842 /nfs/dbraw/zinc/44/88/42/1166448842.db2.gz QBFULICUBVNLID-SYQHCUMBSA-N 2 1 222.376 2.391 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC001254511874 969684198 /nfs/dbraw/zinc/68/41/98/969684198.db2.gz GSRQPTMSBXOFLW-XJFOESAGSA-N 2 1 222.376 2.249 20 0 BEADMP CCC1([NH2+][C@H]2CCC[N@@H+](C)CC2)CCOCC1 ZINC001254513064 969684300 /nfs/dbraw/zinc/68/43/00/969684300.db2.gz WKHOWMVETVZNPI-ZDUSSCGKSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@@H]1CCC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254516480 969685130 /nfs/dbraw/zinc/68/51/30/969685130.db2.gz MUROCHZCGBCAPW-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1CCC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254516480 969685135 /nfs/dbraw/zinc/68/51/35/969685135.db2.gz MUROCHZCGBCAPW-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP C[N@@H+]1CCC[C@@H]([NH+]2CCC[C@](C)(F)C2)CC1 ZINC001254516153 969685244 /nfs/dbraw/zinc/68/52/44/969685244.db2.gz JGJREURBUPRARP-OLZOCXBDSA-N 2 1 228.355 2.295 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@](C)(F)C2)CC1 ZINC001254516153 969685249 /nfs/dbraw/zinc/68/52/49/969685249.db2.gz JGJREURBUPRARP-OLZOCXBDSA-N 2 1 228.355 2.295 20 0 BEADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@](C)(F)C2)CC1 ZINC001254516153 969685255 /nfs/dbraw/zinc/68/52/55/969685255.db2.gz JGJREURBUPRARP-OLZOCXBDSA-N 2 1 228.355 2.295 20 0 BEADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@](C)(F)C2)CC1 ZINC001254516153 969685264 /nfs/dbraw/zinc/68/52/64/969685264.db2.gz JGJREURBUPRARP-OLZOCXBDSA-N 2 1 228.355 2.295 20 0 BEADMP C[C@H]1CCC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254516483 969687770 /nfs/dbraw/zinc/68/77/70/969687770.db2.gz MUROCHZCGBCAPW-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H]1CCC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254516483 969687775 /nfs/dbraw/zinc/68/77/75/969687775.db2.gz MUROCHZCGBCAPW-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H]1CCC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254516483 969687780 /nfs/dbraw/zinc/68/77/80/969687780.db2.gz MUROCHZCGBCAPW-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(C)(C)C2)CC1 ZINC001254522612 969709409 /nfs/dbraw/zinc/70/94/09/969709409.db2.gz HSIOWBZMHLIUJF-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC(C)(C)C2)CC1 ZINC001254522612 969709413 /nfs/dbraw/zinc/70/94/13/969709413.db2.gz HSIOWBZMHLIUJF-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+]1CCC[C@@H]([N@H+]2CCC(C)(C)C2)CC1 ZINC001254522612 969709421 /nfs/dbraw/zinc/70/94/21/969709421.db2.gz HSIOWBZMHLIUJF-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@@H](C(F)F)C2)CC1 ZINC001254525428 969716277 /nfs/dbraw/zinc/71/62/77/969716277.db2.gz IETKYSJNCQSNSZ-VXGBXAGGSA-N 2 1 246.345 2.448 20 0 BEADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@@H](C(F)F)C2)CC1 ZINC001254525428 969716283 /nfs/dbraw/zinc/71/62/83/969716283.db2.gz IETKYSJNCQSNSZ-VXGBXAGGSA-N 2 1 246.345 2.448 20 0 BEADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@@H](C(F)F)C2)CC1 ZINC001254525428 969716286 /nfs/dbraw/zinc/71/62/86/969716286.db2.gz IETKYSJNCQSNSZ-VXGBXAGGSA-N 2 1 246.345 2.448 20 0 BEADMP C[C@@H]1C[N@@H+]([C@@H]2CCC[NH+](C)CC2)C2(CC2)C1 ZINC001254530048 969728355 /nfs/dbraw/zinc/72/83/55/969728355.db2.gz UDMHKGVOPLFVEW-QWHCGFSZSA-N 2 1 222.376 2.345 20 0 BEADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](C)CC2)C2(CC2)C1 ZINC001254530048 969728362 /nfs/dbraw/zinc/72/83/62/969728362.db2.gz UDMHKGVOPLFVEW-QWHCGFSZSA-N 2 1 222.376 2.345 20 0 BEADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)C2(CC2)C1 ZINC001254530048 969728371 /nfs/dbraw/zinc/72/83/71/969728371.db2.gz UDMHKGVOPLFVEW-QWHCGFSZSA-N 2 1 222.376 2.345 20 0 BEADMP C[C@H]1C[C@H]([N@@H+](C)CC2CC(F)(F)C2)CC[NH2+]1 ZINC000394748723 1166613352 /nfs/dbraw/zinc/61/33/52/1166613352.db2.gz ZMYXJFDBTQJAJP-GXSJLCMTSA-N 2 1 232.318 2.104 20 0 BEADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000309984362 1166663360 /nfs/dbraw/zinc/66/33/60/1166663360.db2.gz XRLSGUXQNCKNPM-RWMBFGLXSA-N 2 1 242.432 2.202 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cs1 ZINC000379804094 1166788644 /nfs/dbraw/zinc/78/86/44/1166788644.db2.gz NGYUNVRQWFYTBL-CMPLNLGQSA-N 2 1 224.373 2.226 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cccn1C ZINC001255941531 970573718 /nfs/dbraw/zinc/57/37/18/970573718.db2.gz SQBZUFQEIRDDIQ-ZDUSSCGKSA-N 2 1 237.391 2.235 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H](COC)C1 ZINC001255957073 970593636 /nfs/dbraw/zinc/59/36/36/970593636.db2.gz OQVBVLZDVBZQJB-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@@H+](CCOC)C(C)C ZINC001255959962 970604099 /nfs/dbraw/zinc/60/40/99/970604099.db2.gz BZOLWEOVDNSTOB-AWEZNQCLSA-N 2 1 244.423 2.464 20 0 BEADMP COC(=[NH2+])c1cccc(C2=CC[NH2+]CC2)c1 ZINC000238344532 1166855438 /nfs/dbraw/zinc/85/54/38/1166855438.db2.gz VDSRQFOHAJUEBZ-UHFFFAOYSA-N 2 1 216.284 2.035 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)[C@@H]1CCCOC1 ZINC001255969067 970609725 /nfs/dbraw/zinc/60/97/25/970609725.db2.gz STUBICAUXABXCL-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP C([C@@H]1CCCC[NH2+]1)[N@@H+]1CCC2(CCCC2)C1 ZINC000304378695 1166913913 /nfs/dbraw/zinc/91/39/13/1166913913.db2.gz KJWRAQJHZCERIZ-ZDUSSCGKSA-N 2 1 222.376 2.395 20 0 BEADMP C([C@@H]1CCCC[NH2+]1)[N@H+]1CCC2(CCCC2)C1 ZINC000304378695 1166913916 /nfs/dbraw/zinc/91/39/16/1166913916.db2.gz KJWRAQJHZCERIZ-ZDUSSCGKSA-N 2 1 222.376 2.395 20 0 BEADMP C[N@H+](C[C@@H]1CC1(C)C)C1CC[NH+](C)CC1 ZINC001256208328 970709788 /nfs/dbraw/zinc/70/97/88/970709788.db2.gz FJTGHYHUKFUVKP-NSHDSACASA-N 2 1 210.365 2.059 20 0 BEADMP C[N@@H+](C[C@@H]1CC1(C)C)C1CC[NH+](C)CC1 ZINC001256208328 970709796 /nfs/dbraw/zinc/70/97/96/970709796.db2.gz FJTGHYHUKFUVKP-NSHDSACASA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@H]1CC[C@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC001173295141 975179810 /nfs/dbraw/zinc/17/98/10/975179810.db2.gz PZNJVIDUNBCBHR-FQUUOJAGSA-N 2 1 222.376 2.059 20 0 BEADMP CC[C@H]1CC[C@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC001173295141 975179815 /nfs/dbraw/zinc/17/98/15/975179815.db2.gz PZNJVIDUNBCBHR-FQUUOJAGSA-N 2 1 222.376 2.059 20 0 BEADMP CCSC[C@H](C)[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001173307681 975216642 /nfs/dbraw/zinc/21/66/42/975216642.db2.gz IRLUJQRTHQEAAV-RWMBFGLXSA-N 2 1 242.432 2.012 20 0 BEADMP CCSC[C@H](C)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001173307681 975216647 /nfs/dbraw/zinc/21/66/47/975216647.db2.gz IRLUJQRTHQEAAV-RWMBFGLXSA-N 2 1 242.432 2.012 20 0 BEADMP CCSC[C@H](C)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001173307681 975216654 /nfs/dbraw/zinc/21/66/54/975216654.db2.gz IRLUJQRTHQEAAV-RWMBFGLXSA-N 2 1 242.432 2.012 20 0 BEADMP CCSC[C@@H](C)[N@@H+](CC)CCC[NH+](C)C ZINC001173316884 975303723 /nfs/dbraw/zinc/30/37/23/975303723.db2.gz ZVBAVPLORMKHCB-GFCCVEGCSA-N 2 1 232.437 2.402 20 0 BEADMP CSCC[C@H](C)[N@@H+](C)CCC[NH+](C)C ZINC000336676496 1167102981 /nfs/dbraw/zinc/10/29/81/1167102981.db2.gz YFYMXAUMEYKYJQ-NSHDSACASA-N 2 1 218.410 2.012 20 0 BEADMP C(C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1)C1CCCCC1 ZINC000310407054 1167105438 /nfs/dbraw/zinc/10/54/38/1167105438.db2.gz OKNLORWCPXABKS-HUUCEWRRSA-N 2 1 236.403 2.498 20 0 BEADMP CC(C)[C@@H]1CCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC000251404051 1167142942 /nfs/dbraw/zinc/14/29/42/1167142942.db2.gz MMDWAOAFCKDENK-XQQFMLRXSA-N 2 1 210.365 2.234 20 0 BEADMP CC[NH2+]CC[N@@H+]1CCC2(C1)CCCCC2 ZINC000308790351 1167197554 /nfs/dbraw/zinc/19/75/54/1167197554.db2.gz AOCXUXFXONTGHJ-UHFFFAOYSA-N 2 1 210.365 2.252 20 0 BEADMP CC[NH2+]CC[N@H+]1CCC2(C1)CCCCC2 ZINC000308790351 1167197560 /nfs/dbraw/zinc/19/75/60/1167197560.db2.gz AOCXUXFXONTGHJ-UHFFFAOYSA-N 2 1 210.365 2.252 20 0 BEADMP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC000309236978 1167271435 /nfs/dbraw/zinc/27/14/35/1167271435.db2.gz XSKHLAYIAOYXFS-RWMBFGLXSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1CC[C@H]([NH3+])C1 ZINC000309294273 1167282638 /nfs/dbraw/zinc/28/26/38/1167282638.db2.gz RBQLLJCIJUKIRH-AGIUHOORSA-N 2 1 212.381 2.480 20 0 BEADMP CC(C)C[C@@H](C)C[C@H](C)[N@H+]1CC[C@H]([NH3+])C1 ZINC000309294273 1167282642 /nfs/dbraw/zinc/28/26/42/1167282642.db2.gz RBQLLJCIJUKIRH-AGIUHOORSA-N 2 1 212.381 2.480 20 0 BEADMP CCCC(CCC)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000309405892 1167300623 /nfs/dbraw/zinc/30/06/23/1167300623.db2.gz JPXJJGGHVUABTL-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c1F ZINC000384518740 1167314630 /nfs/dbraw/zinc/31/46/30/1167314630.db2.gz WJIXZDSLUFUFGD-AWEZNQCLSA-N 2 1 236.334 2.305 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1F ZINC000384518740 1167314636 /nfs/dbraw/zinc/31/46/36/1167314636.db2.gz WJIXZDSLUFUFGD-AWEZNQCLSA-N 2 1 236.334 2.305 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+]CC2CC(F)(F)C2)CC1 ZINC000309660736 1167334822 /nfs/dbraw/zinc/33/48/22/1167334822.db2.gz RETIKMYNHOHSEB-NSHDSACASA-N 2 1 232.318 2.106 20 0 BEADMP C[N@@H+](CCCCCCC[NH3+])CC1=CCCOC1 ZINC000696890023 1167341106 /nfs/dbraw/zinc/34/11/06/1167341106.db2.gz SYBVMHXLMZKFMA-UHFFFAOYSA-N 2 1 240.391 2.174 20 0 BEADMP FC(F)CCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001334814564 976711797 /nfs/dbraw/zinc/71/17/97/976711797.db2.gz WGWGQFWQCCSAJR-UHFFFAOYSA-N 2 1 232.318 2.248 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000215787577 1167478759 /nfs/dbraw/zinc/47/87/59/1167478759.db2.gz NESCTUXHFZOEPS-CYBMUJFWSA-N 2 1 210.365 2.380 20 0 BEADMP COCC[C@@H]([NH3+])C[N@H+]1CCC2(C1)CCCCC2 ZINC000310212410 1167494665 /nfs/dbraw/zinc/49/46/65/1167494665.db2.gz HDFNHXIJYATZNI-CYBMUJFWSA-N 2 1 240.391 2.006 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+]CCC2CCC2)CC1 ZINC000161870075 1167551943 /nfs/dbraw/zinc/55/19/43/1167551943.db2.gz CELBCQBGDBFVRX-CYBMUJFWSA-N 2 1 210.365 2.251 20 0 BEADMP CC1(C)CCC([N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000310226825 1167570979 /nfs/dbraw/zinc/57/09/79/1167570979.db2.gz GWBLZWLATNWHSC-CHWSQXEVSA-N 2 1 236.403 2.497 20 0 BEADMP C(C1CC1)[NH+]1CCC([N@H+]2CCCC23CC3)CC1 ZINC001168372346 1167607107 /nfs/dbraw/zinc/60/71/07/1167607107.db2.gz VIDNGBILXCCMCJ-UHFFFAOYSA-N 2 1 234.387 2.489 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]CCCC(F)F)CC1(C)C ZINC001336776533 977946082 /nfs/dbraw/zinc/94/60/82/977946082.db2.gz GNNPKGVTQMANAT-SNVBAGLBSA-N 2 1 234.334 2.494 20 0 BEADMP Cc1cccc(F)c1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205117508 1167771327 /nfs/dbraw/zinc/77/13/27/1167771327.db2.gz PRQDUWCEYMRSIL-LBPRGKRZSA-N 2 1 236.334 2.447 20 0 BEADMP CC1(C)C[C@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)CCO1 ZINC000310449330 1167773983 /nfs/dbraw/zinc/77/39/83/1167773983.db2.gz XRJQEQNYZTUYCW-QWHCGFSZSA-N 2 1 240.391 2.005 20 0 BEADMP CC1(C)C[C@@H]([N@H+]2CCCC[C@H](C[NH3+])C2)CCO1 ZINC000310449328 1167773498 /nfs/dbraw/zinc/77/34/98/1167773498.db2.gz XRJQEQNYZTUYCW-OLZOCXBDSA-N 2 1 240.391 2.005 20 0 BEADMP CC1=C[C@@H](C)[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001235073767 1167779023 /nfs/dbraw/zinc/77/90/23/1167779023.db2.gz VWBYIUXOKAPWBI-LXTVHRRPSA-N 2 1 234.387 2.415 20 0 BEADMP CC1=C[C@@H](C)[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001235073767 1167779030 /nfs/dbraw/zinc/77/90/30/1167779030.db2.gz VWBYIUXOKAPWBI-LXTVHRRPSA-N 2 1 234.387 2.415 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(C)c1 ZINC001235980813 1167804213 /nfs/dbraw/zinc/80/42/13/1167804213.db2.gz ORSAJOOVXDXXGQ-LSDHHAIUSA-N 2 1 230.355 2.227 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(C)c1 ZINC001235980813 1167804223 /nfs/dbraw/zinc/80/42/23/1167804223.db2.gz ORSAJOOVXDXXGQ-LSDHHAIUSA-N 2 1 230.355 2.227 20 0 BEADMP C([C@@H]1CCC[NH2+]1)[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000252371756 1167825586 /nfs/dbraw/zinc/82/55/86/1167825586.db2.gz DBZSIGILGQEISC-RDBSUJKOSA-N 2 1 222.376 2.251 20 0 BEADMP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21)C1CCCC1 ZINC001235071596 978967227 /nfs/dbraw/zinc/96/72/27/978967227.db2.gz BYKWWERUYDXZCD-CHWSQXEVSA-N 2 1 208.349 2.003 20 0 BEADMP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]21)C1CCCC1 ZINC001235071596 978967233 /nfs/dbraw/zinc/96/72/33/978967233.db2.gz BYKWWERUYDXZCD-CHWSQXEVSA-N 2 1 208.349 2.003 20 0 BEADMP CC1=CC[C@@H](CC[N@@H+]2CC[C@H]([NH3+])C2)C1(C)C ZINC001235360906 979033376 /nfs/dbraw/zinc/03/33/76/979033376.db2.gz CTSAOVUOVATVCX-STQMWFEESA-N 2 1 222.376 2.402 20 0 BEADMP CC1=CC[C@@H](CC[N@H+]2CC[C@H]([NH3+])C2)C1(C)C ZINC001235360906 979033379 /nfs/dbraw/zinc/03/33/79/979033379.db2.gz CTSAOVUOVATVCX-STQMWFEESA-N 2 1 222.376 2.402 20 0 BEADMP CC1(C)[NH2+][C@@H](CC[NH+]2CCCCCCC2)CO1 ZINC001235840003 979168322 /nfs/dbraw/zinc/16/83/22/979168322.db2.gz FGIWVACAZMQPAW-ZDUSSCGKSA-N 2 1 240.391 2.367 20 0 BEADMP [NH3+][C@]12CC[C@H]1C[N@@H+](CCCC1CCCC1)C2 ZINC001235979955 979234383 /nfs/dbraw/zinc/23/43/83/979234383.db2.gz OWEGJMGHCIYZIY-KBPBESRZSA-N 2 1 222.376 2.380 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1ccccn1 ZINC000086817252 1168310620 /nfs/dbraw/zinc/31/06/20/1168310620.db2.gz PKUFLGTTXDKMFZ-OLZOCXBDSA-N 2 1 233.359 2.217 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccccn1 ZINC000086817252 1168310629 /nfs/dbraw/zinc/31/06/29/1168310629.db2.gz PKUFLGTTXDKMFZ-OLZOCXBDSA-N 2 1 233.359 2.217 20 0 BEADMP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1cccnc1 ZINC000086817291 1168310551 /nfs/dbraw/zinc/31/05/51/1168310551.db2.gz CYDDIDRXYKEDOO-JSGCOSHPSA-N 2 1 233.359 2.217 20 0 BEADMP [NH3+]C[C@H]1CCC[N@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC000149341668 1168319396 /nfs/dbraw/zinc/31/93/96/1168319396.db2.gz QUIIGZGLMSQFLK-IAQYHMDHSA-N 2 1 248.345 2.484 20 0 BEADMP c1ccc(CC[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC000257655338 1168334013 /nfs/dbraw/zinc/33/40/13/1168334013.db2.gz FFFVXOWKQURGQS-MRXNPFEDSA-N 2 1 244.382 2.447 20 0 BEADMP c1ccc(CC[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC000257655338 1168334019 /nfs/dbraw/zinc/33/40/19/1168334019.db2.gz FFFVXOWKQURGQS-MRXNPFEDSA-N 2 1 244.382 2.447 20 0 BEADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCOCC1 ZINC001342606649 979838965 /nfs/dbraw/zinc/83/89/65/979838965.db2.gz GQGUDODNBVHASS-MGPQQGTHSA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)[N@@H+]1CC[C@H](Nc2[nH+]cccc2N)[C@H](C)C1 ZINC001163361153 1168405592 /nfs/dbraw/zinc/40/55/92/1168405592.db2.gz HTRSBQWLLPMJPQ-YPMHNXCESA-N 2 1 248.374 2.195 20 0 BEADMP CC(C)[N@H+]1CC[C@H](Nc2[nH+]cccc2N)[C@H](C)C1 ZINC001163361153 1168405599 /nfs/dbraw/zinc/40/55/99/1168405599.db2.gz HTRSBQWLLPMJPQ-YPMHNXCESA-N 2 1 248.374 2.195 20 0 BEADMP CC[C@H](C)[N@@H+](CC)C[C@H]1CCCC[NH2+]C1 ZINC000697040185 1168406523 /nfs/dbraw/zinc/40/65/23/1168406523.db2.gz HKEARXNAGHAXBQ-STQMWFEESA-N 2 1 212.381 2.497 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000257685170 1168587397 /nfs/dbraw/zinc/58/73/97/1168587397.db2.gz LZYRPRQFRTXESR-CYBMUJFWSA-N 2 1 210.365 2.251 20 0 BEADMP C1C[N@@H+]([C@@H]2CCCSC2)[C@]2(C1)CCC[NH2+]C2 ZINC000257696480 1168607995 /nfs/dbraw/zinc/60/79/95/1168607995.db2.gz KHNUJBKVWPHHAZ-OLZOCXBDSA-N 2 1 240.416 2.100 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C[NH2+]1 ZINC001246349842 1168635881 /nfs/dbraw/zinc/63/58/81/1168635881.db2.gz WKXVYZWHHYLJEN-DGCLKSJQSA-N 2 1 243.354 2.050 20 0 BEADMP CC(C)CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246648808 1168657711 /nfs/dbraw/zinc/65/77/11/1168657711.db2.gz ZQCJHQBMKGUNCY-AVGNSLFASA-N 2 1 210.365 2.234 20 0 BEADMP CC(C)CCC[C@H](C)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246648808 1168657714 /nfs/dbraw/zinc/65/77/14/1168657714.db2.gz ZQCJHQBMKGUNCY-AVGNSLFASA-N 2 1 210.365 2.234 20 0 BEADMP CCC[C@@H](C)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001201542917 983302920 /nfs/dbraw/zinc/30/29/20/983302920.db2.gz MYSAHGCEGIKMII-MCIONIFRSA-N 2 1 224.392 2.306 20 0 BEADMP CCCC[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001201717226 983424921 /nfs/dbraw/zinc/42/49/21/983424921.db2.gz GUDVYAPPAJVZHF-BETUJISGSA-N 2 1 210.365 2.060 20 0 BEADMP CCCC[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1 ZINC001201717226 983424928 /nfs/dbraw/zinc/42/49/28/983424928.db2.gz GUDVYAPPAJVZHF-BETUJISGSA-N 2 1 210.365 2.060 20 0 BEADMP CCCC[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001201717226 983424933 /nfs/dbraw/zinc/42/49/33/983424933.db2.gz GUDVYAPPAJVZHF-BETUJISGSA-N 2 1 210.365 2.060 20 0 BEADMP CCCCCC[N@@H+](C)CCC[NH+](C)C ZINC001201743219 983448787 /nfs/dbraw/zinc/44/87/87/983448787.db2.gz NESUHKIDEKWMQT-UHFFFAOYSA-N 2 1 200.370 2.450 20 0 BEADMP CCOCC[C@@H](C)[N@@H+](CC)CCC[NH+](C)C ZINC001172428110 974701707 /nfs/dbraw/zinc/70/17/07/974701707.db2.gz XPGOPHVVIBWFOR-CYBMUJFWSA-N 2 1 230.396 2.075 20 0 BEADMP CC[C@@H](C)OCC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246542823 972583214 /nfs/dbraw/zinc/58/32/14/972583214.db2.gz LMKUFDBJHJPILR-FDYHWXHSSA-N 2 1 228.380 2.002 20 0 BEADMP CC[C@@H](C)OCC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246542823 972583222 /nfs/dbraw/zinc/58/32/22/972583222.db2.gz LMKUFDBJHJPILR-FDYHWXHSSA-N 2 1 228.380 2.002 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@H](C)C2)CC[NH2+]1 ZINC001246557335 972775995 /nfs/dbraw/zinc/77/59/95/972775995.db2.gz KOSKHMSFXIPAOB-YNEHKIRRSA-N 2 1 210.365 2.249 20 0 BEADMP CSCC[C@@H](C)[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246641356 973062364 /nfs/dbraw/zinc/06/23/64/973062364.db2.gz DUPVNDCIFAAVST-CHWSQXEVSA-N 2 1 242.432 2.346 20 0 BEADMP CSCC[C@@H](C)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246641356 973062371 /nfs/dbraw/zinc/06/23/71/973062371.db2.gz DUPVNDCIFAAVST-CHWSQXEVSA-N 2 1 242.432 2.346 20 0 BEADMP CCOc1ccccc1C[NH2+]CC[C@H](C)[NH2+]C ZINC001328677496 973260068 /nfs/dbraw/zinc/26/00/68/973260068.db2.gz PYWXEISEOCRLDG-LBPRGKRZSA-N 2 1 236.359 2.173 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cnccc1C ZINC001329025138 973432801 /nfs/dbraw/zinc/43/28/01/973432801.db2.gz ZDSBPSGTXUFOAI-NEPJUHHUSA-N 2 1 221.348 2.039 20 0 BEADMP C[C@@H](Cc1ccccn1)[NH+]1CCC([NH+](C)C)CC1 ZINC001256411068 970820565 /nfs/dbraw/zinc/82/05/65/970820565.db2.gz ZBNQIGQYCPOOEK-ZDUSSCGKSA-N 2 1 247.386 2.039 20 0 BEADMP CCC[C@@H](C)C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403136476 970883197 /nfs/dbraw/zinc/88/31/97/970883197.db2.gz BWWZNONVSCAWDX-MNOVXSKESA-N 2 1 234.334 2.339 20 0 BEADMP CCC(CC)C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403196024 970892969 /nfs/dbraw/zinc/89/29/69/970892969.db2.gz XTZDHFBZCWUVPF-NSHDSACASA-N 2 1 234.334 2.339 20 0 BEADMP CCC(CC)C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403196022 970894550 /nfs/dbraw/zinc/89/45/50/970894550.db2.gz XTZDHFBZCWUVPF-LLVKDONJSA-N 2 1 234.334 2.339 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403451533 970946016 /nfs/dbraw/zinc/94/60/16/970946016.db2.gz GEEUNFMFRXAMTF-YIYPIFLZSA-N 2 1 222.376 2.093 20 0 BEADMP CNc1cc(-n2c[nH+]c3cccc(N)c32)cc[nH+]1 ZINC001216334554 971047765 /nfs/dbraw/zinc/04/77/65/971047765.db2.gz HIOHFGQQIJZNLH-UHFFFAOYSA-N 2 1 239.282 2.044 20 0 BEADMP CC[NH+](CC)C[C@H](C)OC[C@@H]1CCCC[N@H+]1C ZINC001224703952 973871719 /nfs/dbraw/zinc/87/17/19/973871719.db2.gz VYLOMZYUVHZGHO-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP CC(C)[N@@H+](CCC[NH3+])C1C[C@@H](C)O[C@H](C)C1 ZINC001257073827 971089599 /nfs/dbraw/zinc/08/95/99/971089599.db2.gz WIZZKVSGXAHAQB-VXGBXAGGSA-N 2 1 228.380 2.002 20 0 BEADMP CC[C@H]1C[N@@H+](CCCCCCC[NH3+])[C@@H](C)CO1 ZINC000403915622 971090149 /nfs/dbraw/zinc/09/01/49/971090149.db2.gz OPDNKBAPYNHXIM-KBPBESRZSA-N 2 1 242.407 2.395 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)C1C[C@@H](C)O[C@H](C)C1 ZINC001257101295 971115419 /nfs/dbraw/zinc/11/54/19/971115419.db2.gz GISKVYMLXJQGGZ-CHWSQXEVSA-N 2 1 242.407 2.216 20 0 BEADMP CCC[C@H](CC)[N@@H+](C)CCC[NH+](C)C ZINC001257257429 971156885 /nfs/dbraw/zinc/15/68/85/971156885.db2.gz QOEYLIJGZSIVGX-LBPRGKRZSA-N 2 1 200.370 2.449 20 0 BEADMP CCC[C@H](C)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257312586 971206530 /nfs/dbraw/zinc/20/65/30/971206530.db2.gz ZEPMMQWGASQVBL-AVGNSLFASA-N 2 1 240.391 2.146 20 0 BEADMP CCCC(CCC)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001257340890 971252700 /nfs/dbraw/zinc/25/27/00/971252700.db2.gz OSBLUDUULZUMSY-BETUJISGSA-N 2 1 224.392 2.449 20 0 BEADMP CCCC(CCC)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001257340890 971252713 /nfs/dbraw/zinc/25/27/13/971252713.db2.gz OSBLUDUULZUMSY-BETUJISGSA-N 2 1 224.392 2.449 20 0 BEADMP CCCC(CCC)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001257340890 971252722 /nfs/dbraw/zinc/25/27/22/971252722.db2.gz OSBLUDUULZUMSY-BETUJISGSA-N 2 1 224.392 2.449 20 0 BEADMP C(C1CC1)[N@@H+]1CCC2(C[NH+](C3CCCC3)C2)C1 ZINC001257350138 971263540 /nfs/dbraw/zinc/26/35/40/971263540.db2.gz KRNJHBKYXZYWPU-UHFFFAOYSA-N 2 1 234.387 2.347 20 0 BEADMP C(C1CC1)[N@H+]1CCC2(C[NH+](C3CCCC3)C2)C1 ZINC001257350138 971263544 /nfs/dbraw/zinc/26/35/44/971263544.db2.gz KRNJHBKYXZYWPU-UHFFFAOYSA-N 2 1 234.387 2.347 20 0 BEADMP CCCCCC[C@@H](C)[NH2+]CCC[N@@H+](C)CCO ZINC001257359259 971276394 /nfs/dbraw/zinc/27/63/94/971276394.db2.gz NJBZNYWXYWXABY-CQSZACIVSA-N 2 1 244.423 2.249 20 0 BEADMP Cc1[nH]c2ccccc2c1C[N@@H+]1CC[C@](C)([NH3+])C1 ZINC000405829526 971310150 /nfs/dbraw/zinc/31/01/50/971310150.db2.gz RDHBLYLNVOJWCM-HNNXBMFYSA-N 2 1 243.354 2.399 20 0 BEADMP Cc1[nH]c2ccccc2c1C[N@H+]1CC[C@](C)([NH3+])C1 ZINC000405829526 971310162 /nfs/dbraw/zinc/31/01/62/971310162.db2.gz RDHBLYLNVOJWCM-HNNXBMFYSA-N 2 1 243.354 2.399 20 0 BEADMP CCCC[C@@H](CC)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001257424428 971325281 /nfs/dbraw/zinc/32/52/81/971325281.db2.gz DYLYVBPKKZMYFK-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001276758551 971323750 /nfs/dbraw/zinc/32/37/50/971323750.db2.gz FAFZSUFLMHZDEO-UCHDVTTGSA-N 2 1 246.398 2.413 20 0 BEADMP CC(C)OC1CCC([N@@H+]2CCC[C@H]2C[NH3+])CC1 ZINC001257872454 971512304 /nfs/dbraw/zinc/51/23/04/971512304.db2.gz YRNHXHVHQUGPCE-MOKVOYLWSA-N 2 1 240.391 2.146 20 0 BEADMP CC(C)OC1CCC([N@H+]2CCC[C@H]2C[NH3+])CC1 ZINC001257872454 971512313 /nfs/dbraw/zinc/51/23/13/971512313.db2.gz YRNHXHVHQUGPCE-MOKVOYLWSA-N 2 1 240.391 2.146 20 0 BEADMP CCC(CC)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206152812 974226579 /nfs/dbraw/zinc/22/65/79/974226579.db2.gz BEJPOQILGXHIMV-NWDGAFQWSA-N 2 1 216.344 2.184 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206152812 974226594 /nfs/dbraw/zinc/22/65/94/974226594.db2.gz BEJPOQILGXHIMV-NWDGAFQWSA-N 2 1 216.344 2.184 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170712017 971614456 /nfs/dbraw/zinc/61/44/56/971614456.db2.gz JINZPTPUIUOMDQ-XYYAHUGASA-N 2 1 222.376 2.105 20 0 BEADMP CC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104875 974365566 /nfs/dbraw/zinc/36/55/66/974365566.db2.gz GORYAUHYKYPJNK-LPWJVIDDSA-N 2 1 210.365 2.390 20 0 BEADMP CC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104875 974365570 /nfs/dbraw/zinc/36/55/70/974365570.db2.gz GORYAUHYKYPJNK-LPWJVIDDSA-N 2 1 210.365 2.390 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C13CC(C1)C3)C2 ZINC001172104050 974365611 /nfs/dbraw/zinc/36/56/11/974365611.db2.gz ZFCYMDFJUOVQEF-RUCXBIIGSA-N 2 1 220.360 2.144 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C13CC(C1)C3)C2 ZINC001172104050 974365614 /nfs/dbraw/zinc/36/56/14/974365614.db2.gz ZFCYMDFJUOVQEF-RUCXBIIGSA-N 2 1 220.360 2.144 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCSCC1)C2 ZINC001172121713 974393151 /nfs/dbraw/zinc/39/31/51/974393151.db2.gz TVGBKJDIFCWUMJ-CLLJXQQHSA-N 2 1 240.416 2.051 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCSCC1)C2 ZINC001172121713 974393162 /nfs/dbraw/zinc/39/31/62/974393162.db2.gz TVGBKJDIFCWUMJ-CLLJXQQHSA-N 2 1 240.416 2.051 20 0 BEADMP CC[C@H](C)OCC[C@@H](C)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001172326029 974531602 /nfs/dbraw/zinc/53/16/02/974531602.db2.gz ABXKNBXOUHCQKK-UPJWGTAASA-N 2 1 230.396 2.107 20 0 BEADMP CC[C@H](C)OCC[C@H](C)n1c[nH+]cc1CC[NH3+] ZINC001172322759 974532789 /nfs/dbraw/zinc/53/27/89/974532789.db2.gz YFKOEEDUAKSELV-RYUDHWBXSA-N 2 1 239.363 2.151 20 0 BEADMP CC[C@@H](C)OCC[C@H](C)[N@H+]1CCC[C@H]1CN ZINC001172323268 974534202 /nfs/dbraw/zinc/53/42/02/974534202.db2.gz BPAHRCAQOGYXJF-XQQFMLRXSA-N 2 1 228.380 2.003 20 0 BEADMP CC[C@@H](C)OCC[C@H](C)[N@H+]1CCC[C@H]1C[NH3+] ZINC001172323268 974534225 /nfs/dbraw/zinc/53/42/25/974534225.db2.gz BPAHRCAQOGYXJF-XQQFMLRXSA-N 2 1 228.380 2.003 20 0 BEADMP CS[C@@H](C)CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001208154614 957035485 /nfs/dbraw/zinc/03/54/85/957035485.db2.gz MVEPZLSYFWHMFU-STQMWFEESA-N 2 1 242.432 2.156 20 0 BEADMP CS[C@@H](C)CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001208154614 957035495 /nfs/dbraw/zinc/03/54/95/957035495.db2.gz MVEPZLSYFWHMFU-STQMWFEESA-N 2 1 242.432 2.156 20 0 BEADMP CS[C@@H](C)CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001208154614 957035508 /nfs/dbraw/zinc/03/55/08/957035508.db2.gz MVEPZLSYFWHMFU-STQMWFEESA-N 2 1 242.432 2.156 20 0 BEADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCC[NH2+]1 ZINC000692952170 957039727 /nfs/dbraw/zinc/03/97/27/957039727.db2.gz BBRINWAXLFDDNO-HYWTVENDSA-N 2 1 208.349 2.001 20 0 BEADMP CC(C)C([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C(C)C ZINC001246235389 972240030 /nfs/dbraw/zinc/24/00/30/972240030.db2.gz GJTMAJIHPSDGAX-NEPJUHHUSA-N 2 1 212.381 2.397 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(CCC3)C2)C1 ZINC001208612279 957097897 /nfs/dbraw/zinc/09/78/97/957097897.db2.gz MAKSEXCJHWESJY-ZDUSSCGKSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC3(CCC3)C2)C1 ZINC001208612279 957097905 /nfs/dbraw/zinc/09/79/05/957097905.db2.gz MAKSEXCJHWESJY-ZDUSSCGKSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CCC[C@H](C[N@H+]2CCC3(CCC3)C2)C1 ZINC001208612279 957097920 /nfs/dbraw/zinc/09/79/20/957097920.db2.gz MAKSEXCJHWESJY-ZDUSSCGKSA-N 2 1 222.376 2.204 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC3(CCC3)C2)C1 ZINC001208612278 957102589 /nfs/dbraw/zinc/10/25/89/957102589.db2.gz MAKSEXCJHWESJY-CYBMUJFWSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC3(CCC3)C2)C1 ZINC001208612278 957102602 /nfs/dbraw/zinc/10/26/02/957102602.db2.gz MAKSEXCJHWESJY-CYBMUJFWSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC3(CCC3)C2)C1 ZINC001208612278 957102611 /nfs/dbraw/zinc/10/26/11/957102611.db2.gz MAKSEXCJHWESJY-CYBMUJFWSA-N 2 1 222.376 2.204 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000253176845 957109630 /nfs/dbraw/zinc/10/96/30/957109630.db2.gz AKYHEKAJWVADHZ-TZMCWYRMSA-N 2 1 248.370 2.112 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CCCCc2ccccn2)C[NH2+]1 ZINC001246241038 972244652 /nfs/dbraw/zinc/24/46/52/972244652.db2.gz VFJIUMHJNVGKQC-UKRRQHHQSA-N 2 1 247.386 2.134 20 0 BEADMP CCOC(C)(C)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001209074539 957310668 /nfs/dbraw/zinc/31/06/68/957310668.db2.gz HEXGDXBBFACIJD-UHFFFAOYSA-N 2 1 242.407 2.219 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C(C)(C)c2ccccn2)CC[NH2+]1 ZINC001246307228 972266978 /nfs/dbraw/zinc/26/69/78/972266978.db2.gz DIDCXUHXHFDHLA-VXGBXAGGSA-N 2 1 233.359 2.047 20 0 BEADMP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001209730795 957529854 /nfs/dbraw/zinc/52/98/54/957529854.db2.gz IVZHKMCPNYQDBI-SMDDNHRTSA-N 2 1 231.343 2.259 20 0 BEADMP Nc1cc[nH+]cc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001209730795 957529865 /nfs/dbraw/zinc/52/98/65/957529865.db2.gz IVZHKMCPNYQDBI-SMDDNHRTSA-N 2 1 231.343 2.259 20 0 BEADMP CCCCc1nc(C)cc(N[C@H]2CC[N@@H+](C)C2)n1 ZINC001167272707 957616439 /nfs/dbraw/zinc/61/64/39/957616439.db2.gz ANYNNUCAIKTDED-LBPRGKRZSA-N 2 1 248.374 2.244 20 0 BEADMP CO[C@H](C[N@@H+](C)CCCCCC[NH3+])C1CCC1 ZINC000692247786 957647738 /nfs/dbraw/zinc/64/77/38/957647738.db2.gz DQGOOSZVDMRNCZ-CQSZACIVSA-N 2 1 242.407 2.252 20 0 BEADMP [NH3+][C@@H](CC(F)F)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000400916783 957715077 /nfs/dbraw/zinc/71/50/77/957715077.db2.gz SZKMGAHVRQWZDP-DCAQKATOSA-N 2 1 232.318 2.233 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc3[nH]ccc3c2)C[NH2+]1 ZINC001246366060 972306361 /nfs/dbraw/zinc/30/63/61/972306361.db2.gz PYBMTTYJAXTCME-SMDDNHRTSA-N 2 1 243.354 2.050 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+][C@H]2CCc3ccccc3C2)C[NH2+]1 ZINC001246368125 972304892 /nfs/dbraw/zinc/30/48/92/972304892.db2.gz VWKPTLCPTCSXEC-VBNZEHGJSA-N 2 1 244.382 2.274 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000723138836 958297999 /nfs/dbraw/zinc/29/79/99/958297999.db2.gz RDIPCCZPAMZUDL-RFGFWPKPSA-N 2 1 222.376 2.106 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000723138836 958298008 /nfs/dbraw/zinc/29/80/08/958298008.db2.gz RDIPCCZPAMZUDL-RFGFWPKPSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]C2CCC(F)(F)CC2)C[NH2+]1 ZINC000399010950 958480874 /nfs/dbraw/zinc/48/08/74/958480874.db2.gz XQBXSDAXCNYHOM-GXSJLCMTSA-N 2 1 232.318 2.294 20 0 BEADMP C[C@H]1CC[C@@H]([NH+]2CCC3(CCC3)CC2)C[NH2+]1 ZINC000399017863 958486868 /nfs/dbraw/zinc/48/68/68/958486868.db2.gz GHJFKOIRFIDCJA-QWHCGFSZSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CCCC(F)(F)F)C[NH2+]1 ZINC000399221962 958567008 /nfs/dbraw/zinc/56/70/08/958567008.db2.gz CHOSZYXWAYYMHZ-BDAKNGLRSA-N 2 1 224.270 2.059 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])CCOC(C)(C)C ZINC000690081271 958581318 /nfs/dbraw/zinc/58/13/18/958581318.db2.gz GNRUYFQHEHHCRF-UHFFFAOYSA-N 2 1 230.396 2.252 20 0 BEADMP C1CC2(CCCC2)[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000707652649 958643810 /nfs/dbraw/zinc/64/38/10/958643810.db2.gz YHKSIBZAUCBEBE-FUNVUKJBSA-N 2 1 220.360 2.288 20 0 BEADMP COC[C@@H]1CCCC[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207275081 958843288 /nfs/dbraw/zinc/84/32/88/958843288.db2.gz JLJTXGCJBBFMRF-ZDUSSCGKSA-N 2 1 242.407 2.075 20 0 BEADMP Cc1[nH+]ccn1CCNc1cc(C)cc(C)[nH+]1 ZINC000707940221 958845903 /nfs/dbraw/zinc/84/59/03/958845903.db2.gz IUTCSGAMQFNYRB-UHFFFAOYSA-N 2 1 230.315 2.315 20 0 BEADMP CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CCCCC1 ZINC000693577247 958868087 /nfs/dbraw/zinc/86/80/87/958868087.db2.gz CPHNKWVFNOONFW-TXEJJXNPSA-N 2 1 210.365 2.378 20 0 BEADMP CC1(C)CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000693577751 958868181 /nfs/dbraw/zinc/86/81/81/958868181.db2.gz HCKRFHGTQWTRRE-TXEJJXNPSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]1CC[C@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000309044626 958887521 /nfs/dbraw/zinc/88/75/21/958887521.db2.gz MFAZMKOYNSSASL-NWDGAFQWSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000689853003 959347358 /nfs/dbraw/zinc/34/73/58/959347358.db2.gz RQUBYOQKQUMQMK-HZSPNIEDSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000689853003 959347381 /nfs/dbraw/zinc/34/73/81/959347381.db2.gz RQUBYOQKQUMQMK-HZSPNIEDSA-N 2 1 242.407 2.120 20 0 BEADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300952081 959388604 /nfs/dbraw/zinc/38/86/04/959388604.db2.gz OKCHGWJKYFRSME-WDEREUQCSA-N 2 1 232.318 2.093 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccccn1 ZINC000405250592 959420726 /nfs/dbraw/zinc/42/07/26/959420726.db2.gz JOAJFVOOQFYWJF-WCFLWFBJSA-N 2 1 231.343 2.002 20 0 BEADMP CC(C)(CC[N@H+]1CCC[C@H](C[NH3+])C1)C1CC1 ZINC000406084223 959573974 /nfs/dbraw/zinc/57/39/74/959573974.db2.gz YXGIHURWKCSKJD-GFCCVEGCSA-N 2 1 224.392 2.483 20 0 BEADMP Cc1cccc2c1CC[C@@H]([N@H+]1CC[C@@](C)([NH3+])C1)C2 ZINC001246532152 972443674 /nfs/dbraw/zinc/44/36/74/972443674.db2.gz UMHJDLRHOHQENJ-GDBMZVCRSA-N 2 1 244.382 2.275 20 0 BEADMP [NH3+]CCCC[N@H+]1CCCC2(CCCC2)C1 ZINC001222400880 972461874 /nfs/dbraw/zinc/46/18/74/972461874.db2.gz MDCFIVWVZFZKEN-UHFFFAOYSA-N 2 1 210.365 2.382 20 0 BEADMP C[C@H]1C[N@H+]([C@H]2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000708829792 959860387 /nfs/dbraw/zinc/86/03/87/959860387.db2.gz HECQLJLNRQBCLU-XQHKEYJVSA-N 2 1 210.365 2.092 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222422474 972471605 /nfs/dbraw/zinc/47/16/05/972471605.db2.gz VBLWAPXEEVNXIA-FZKCQIBNSA-N 2 1 246.398 2.417 20 0 BEADMP C[C@H]1C[N@H+]([C@H]2CC[C@@H](C)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000708870663 959992864 /nfs/dbraw/zinc/99/28/64/959992864.db2.gz MNKURBWAUIAWSS-HTOAHKCRSA-N 2 1 224.392 2.338 20 0 BEADMP C[C@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1C[NH3+] ZINC000708887761 960077932 /nfs/dbraw/zinc/07/79/32/960077932.db2.gz YVAMNDZWZCJLHG-GXTWGEPZSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@@H]1CCCC[N@H+]1CCCNc1ccc[n+](C)c1 ZINC001167753315 960542963 /nfs/dbraw/zinc/54/29/63/960542963.db2.gz HDPLSAHAXRMWHG-CQSZACIVSA-N 2 1 248.394 2.188 20 0 BEADMP CCC[N@H+](CCOC)Cc1c[nH]c2cc[nH+]cc12 ZINC001140799370 960579829 /nfs/dbraw/zinc/57/98/29/960579829.db2.gz AYYRFGUQKLNIAK-UHFFFAOYSA-N 2 1 247.342 2.421 20 0 BEADMP CCC[N@@H+](CCOC)Cc1c[nH]c2cc[nH+]cc12 ZINC001140799370 960579840 /nfs/dbraw/zinc/57/98/40/960579840.db2.gz AYYRFGUQKLNIAK-UHFFFAOYSA-N 2 1 247.342 2.421 20 0 BEADMP C[C@@H]1CC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140801960 960589171 /nfs/dbraw/zinc/58/91/71/960589171.db2.gz MDDNUVAKRYGNQT-SECBINFHSA-N 2 1 201.273 2.157 20 0 BEADMP C[C@@H]1CC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140801960 960589186 /nfs/dbraw/zinc/58/91/86/960589186.db2.gz MDDNUVAKRYGNQT-SECBINFHSA-N 2 1 201.273 2.157 20 0 BEADMP C[C@H]1CC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140801961 960598792 /nfs/dbraw/zinc/59/87/92/960598792.db2.gz MDDNUVAKRYGNQT-VIFPVBQESA-N 2 1 201.273 2.157 20 0 BEADMP C[C@H]1CC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140801961 960598811 /nfs/dbraw/zinc/59/88/11/960598811.db2.gz MDDNUVAKRYGNQT-VIFPVBQESA-N 2 1 201.273 2.157 20 0 BEADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)[C@H]1CCCOC1 ZINC001140806489 960602403 /nfs/dbraw/zinc/60/24/03/960602403.db2.gz KIVNLWIGZNSOCF-LBPRGKRZSA-N 2 1 245.326 2.174 20 0 BEADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)[C@H]1CCCOC1 ZINC001140806489 960602409 /nfs/dbraw/zinc/60/24/09/960602409.db2.gz KIVNLWIGZNSOCF-LBPRGKRZSA-N 2 1 245.326 2.174 20 0 BEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccn1 ZINC000709427227 960607926 /nfs/dbraw/zinc/60/79/26/960607926.db2.gz SZEICAYYABBJFO-FKJOKYEKSA-N 2 1 231.343 2.015 20 0 BEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccnc1 ZINC000709424192 960609139 /nfs/dbraw/zinc/60/91/39/960609139.db2.gz NVSHZQLZPGDGSA-RAQOOLMWSA-N 2 1 231.343 2.015 20 0 BEADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccsc2)CC[NH2+]1 ZINC000709447383 960616930 /nfs/dbraw/zinc/61/69/30/960616930.db2.gz JAROWESVDOWHAE-CMPLNLGQSA-N 2 1 224.373 2.320 20 0 BEADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccsc2)CC[NH2+]1 ZINC000709447383 960616942 /nfs/dbraw/zinc/61/69/42/960616942.db2.gz JAROWESVDOWHAE-CMPLNLGQSA-N 2 1 224.373 2.320 20 0 BEADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000709476862 960619416 /nfs/dbraw/zinc/61/94/16/960619416.db2.gz GBZJKJXWHPRPIJ-BXUZGUMPSA-N 2 1 236.334 2.398 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000709476862 960619431 /nfs/dbraw/zinc/61/94/31/960619431.db2.gz GBZJKJXWHPRPIJ-BXUZGUMPSA-N 2 1 236.334 2.398 20 0 BEADMP [NH3+]CC[C@H]1CC[N@@H+](CCCOc2ccccc2)C1 ZINC000125535125 960834484 /nfs/dbraw/zinc/83/44/84/960834484.db2.gz IUMDFRGEPOEWNO-AWEZNQCLSA-N 2 1 248.370 2.126 20 0 BEADMP CC1(C)CC[C@H](C[NH2+]C2CCCC2)[NH2+]C1 ZINC000686973431 960904997 /nfs/dbraw/zinc/90/49/97/960904997.db2.gz ALIYYOHUNCMMIV-GFCCVEGCSA-N 2 1 210.365 2.297 20 0 BEADMP C[N@@H+](Cc1cccc(-n2ccnc2)c1)C1CC1 ZINC001141238663 961015059 /nfs/dbraw/zinc/01/50/59/961015059.db2.gz PNCXSFAIGDWEOF-UHFFFAOYSA-N 2 1 227.311 2.467 20 0 BEADMP C[C@H]1CC[C@H]([NH+]2CCC3(CCC3)CC2)C[NH2+]1 ZINC000399017865 961056363 /nfs/dbraw/zinc/05/63/63/961056363.db2.gz GHJFKOIRFIDCJA-STQMWFEESA-N 2 1 222.376 2.393 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CC)C1COC1 ZINC001167833380 961181783 /nfs/dbraw/zinc/18/17/83/961181783.db2.gz ANOZOSMMZXLVKO-ZDUSSCGKSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)C1(C)COC1 ZINC001167838110 961220687 /nfs/dbraw/zinc/22/06/87/961220687.db2.gz QHSAMZVRNIFOCB-CYBMUJFWSA-N 2 1 242.407 2.218 20 0 BEADMP CCC[NH+](CCC)CC[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167893918 961507403 /nfs/dbraw/zinc/50/74/03/961507403.db2.gz LZAYNEWBBLGLJC-WDNDVIMCSA-N 2 1 224.392 2.497 20 0 BEADMP CCc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)o1 ZINC000310292080 961512501 /nfs/dbraw/zinc/51/25/01/961512501.db2.gz RULWLGZHLAXJPA-GFCCVEGCSA-N 2 1 236.359 2.403 20 0 BEADMP Cc1ccc(O)cc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206641465 962285011 /nfs/dbraw/zinc/28/50/11/962285011.db2.gz XVVHMAHPMNTVNK-ZDUSSCGKSA-N 2 1 248.370 2.261 20 0 BEADMP Cc1cnsc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206641593 962331755 /nfs/dbraw/zinc/33/17/55/962331755.db2.gz ZPFJFJPZUQHJRK-NSHDSACASA-N 2 1 239.388 2.012 20 0 BEADMP C[C@@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000710797202 962474569 /nfs/dbraw/zinc/47/45/69/962474569.db2.gz ZWBJYYMCMSTLDQ-FKJOKYEKSA-N 2 1 208.349 2.144 20 0 BEADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167947629 962564220 /nfs/dbraw/zinc/56/42/20/962564220.db2.gz CKNGHVYARXIMLR-DABQJJPHSA-N 2 1 222.376 2.201 20 0 BEADMP C[C@@H]1C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167959899 962843812 /nfs/dbraw/zinc/84/38/12/962843812.db2.gz UMYZOAQTMHNCJC-JHYKVQOGSA-N 2 1 234.387 2.390 20 0 BEADMP CN(c1cc(C2CC2)cc[nH+]1)C1CC[NH2+]CC1 ZINC001156175314 963273073 /nfs/dbraw/zinc/27/30/73/963273073.db2.gz BCOINMVIIWKCKL-UHFFFAOYSA-N 2 1 231.343 2.147 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)CC[C@@H]1C[NH3+] ZINC000302389069 963365401 /nfs/dbraw/zinc/36/54/01/963365401.db2.gz IZSJTNIPULOJFQ-IJLUTSLNSA-N 2 1 246.345 2.339 20 0 BEADMP C[C@@H]([N@@H+](C)C[C@H]1CCCC[NH2+]C1)C1(C)CC1 ZINC000697013839 963640030 /nfs/dbraw/zinc/64/00/30/963640030.db2.gz AIHCYNJVRWHKCY-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)[C@@H](C)[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000697038388 963666493 /nfs/dbraw/zinc/66/64/93/963666493.db2.gz CJHIPYOXYNVMFA-CHWSQXEVSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000697043521 963668497 /nfs/dbraw/zinc/66/84/97/963668497.db2.gz WPHMLVHMZILBKJ-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)C[N@@H+](C[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000697052636 963679939 /nfs/dbraw/zinc/67/99/39/963679939.db2.gz OCJMCKIKYNXZJV-ZDUSSCGKSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CCO[C@H](C)C1 ZINC001168141955 963847500 /nfs/dbraw/zinc/84/75/00/963847500.db2.gz KNPYWDCFKWTLDR-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP CCCc1cc(NCC[C@H]2CCC[NH2+]2)nc(C)[nH+]1 ZINC001158627438 963896568 /nfs/dbraw/zinc/89/65/68/963896568.db2.gz KDDGUAZIBIWVFH-GFCCVEGCSA-N 2 1 248.374 2.292 20 0 BEADMP Cc1cccc2[nH+]cc(NC3=C[NH2+]CCC3)n21 ZINC001159363890 964068779 /nfs/dbraw/zinc/06/87/79/964068779.db2.gz DSBLOVYAXFCLEU-UHFFFAOYSA-N 2 1 228.299 2.279 20 0 BEADMP C[NH+](C)C1CCC([NH+]2CC(F)(C3CC3)C2)CC1 ZINC001168314461 964420280 /nfs/dbraw/zinc/42/02/80/964420280.db2.gz LMYQUGOZOLKHCG-UHFFFAOYSA-N 2 1 240.366 2.293 20 0 BEADMP C[NH+](C)C1CCC([N@@H+](C)Cc2cccnc2)CC1 ZINC001168314262 964421278 /nfs/dbraw/zinc/42/12/78/964421278.db2.gz AGGASXFHSDWHMR-UHFFFAOYSA-N 2 1 247.386 2.386 20 0 BEADMP CCOc1cc[nH+]c(NCC[C@H]2CCC[N@H+]2C)c1 ZINC001160963110 964454370 /nfs/dbraw/zinc/45/43/70/964454370.db2.gz ALPPZEXIRZTVLU-GFCCVEGCSA-N 2 1 249.358 2.377 20 0 BEADMP COc1ccc2c[nH+]c(NC/C=C/C[NH3+])cc2c1 ZINC001160983031 964470366 /nfs/dbraw/zinc/47/03/66/964470366.db2.gz PCGPQASWKYOBRI-NSCUHMNNSA-N 2 1 243.310 2.170 20 0 BEADMP COc1cc[nH+]c(Nc2cccc(CC[NH3+])c2)c1 ZINC001161079111 964513432 /nfs/dbraw/zinc/51/34/32/964513432.db2.gz VQONAIBLVSYNGP-UHFFFAOYSA-N 2 1 243.310 2.335 20 0 BEADMP COC(=[NH2+])c1cccc(NCCCC[NH+](C)C)c1 ZINC001161730502 964718442 /nfs/dbraw/zinc/71/84/42/964718442.db2.gz GLXALLOYQFTYAZ-UHFFFAOYSA-N 2 1 249.358 2.412 20 0 BEADMP C[NH+](C)CCCCNc1[nH+]ccc2cc[nH]c21 ZINC001161730601 964718490 /nfs/dbraw/zinc/71/84/90/964718490.db2.gz LNZWEFCGVIBCER-UHFFFAOYSA-N 2 1 232.331 2.317 20 0 BEADMP CN(C)c1cccc(NC2C[NH+](C(C)(C)C)C2)[nH+]1 ZINC001162220400 964879477 /nfs/dbraw/zinc/87/94/77/964879477.db2.gz RJJXWHUGXPUUCN-UHFFFAOYSA-N 2 1 248.374 2.042 20 0 BEADMP [NH3+][C@@H]1CCC[C@H](Nc2cccn3cc[nH+]c23)C1 ZINC001162395103 964957304 /nfs/dbraw/zinc/95/73/04/964957304.db2.gz BXEVSMNODQCRAN-MNOVXSKESA-N 2 1 230.315 2.016 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H](Nc2[nH+]ccc3cc[nH]c32)C1 ZINC001162403397 964961949 /nfs/dbraw/zinc/96/19/49/964961949.db2.gz ZIBNLQMMYDRBOB-GHMZBOCLSA-N 2 1 230.315 2.245 20 0 BEADMP [NH3+][C@H]1CCC[C@H](Nc2ccc3[nH]c[nH+]c3c2)C1 ZINC001162406149 964967303 /nfs/dbraw/zinc/96/73/03/964967303.db2.gz ZSNLUUUMJWKBAQ-UWVGGRQHSA-N 2 1 230.315 2.245 20 0 BEADMP C[C@@H]1C[C@@H](CNc2ccc(C3CC3)c[nH+]2)C[NH2+]1 ZINC001162556717 965046941 /nfs/dbraw/zinc/04/69/41/965046941.db2.gz RRUBEYOEMWCKBO-GHMZBOCLSA-N 2 1 231.343 2.369 20 0 BEADMP CCc1ccc(NC[C@H]2C[NH2+][C@H](C)C2)[nH+]c1 ZINC001162556568 965048759 /nfs/dbraw/zinc/04/87/59/965048759.db2.gz LDNOWOUVIVAANI-ZYHUDNBSSA-N 2 1 219.332 2.054 20 0 BEADMP C[C@@H]1C[C@@H](CNc2cc3[nH+]c[nH]c3cc2F)C[NH2+]1 ZINC001162559357 965052268 /nfs/dbraw/zinc/05/22/68/965052268.db2.gz MRCJKDWQGFSSPE-RKDXNWHRSA-N 2 1 248.305 2.112 20 0 BEADMP Cc1ccc[nH+]c1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162574252 965053078 /nfs/dbraw/zinc/05/30/78/965053078.db2.gz XAVQNQDUSFYMNL-CYBMUJFWSA-N 2 1 237.322 2.284 20 0 BEADMP C[NH+](C)CC1CCC(Nc2ccc(N)c[nH+]2)CC1 ZINC001163296291 965326640 /nfs/dbraw/zinc/32/66/40/965326640.db2.gz DZJGWFGYDSPSCU-UHFFFAOYSA-N 2 1 248.374 2.196 20 0 BEADMP Cc1cc(N[C@H](C)C[NH+](C)C)c2[nH+]ccn2c1 ZINC001163776550 965581263 /nfs/dbraw/zinc/58/12/63/965581263.db2.gz DBVHUCYFLXYLQB-LLVKDONJSA-N 2 1 232.331 2.005 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001205094179 965726556 /nfs/dbraw/zinc/72/65/56/965726556.db2.gz JZCNXXCZYYAIRK-DGAVXFQQSA-N 2 1 220.360 2.012 20 0 BEADMP Cc1cc2cc[nH+]c(N(CCC[NH3+])C(C)C)c2[nH]1 ZINC001164122747 965746997 /nfs/dbraw/zinc/74/69/97/965746997.db2.gz OHGFTJDJPOUDQC-UHFFFAOYSA-N 2 1 246.358 2.435 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)CC1 ZINC001205101194 965801390 /nfs/dbraw/zinc/80/13/90/965801390.db2.gz BFYXYLSSWRTQPA-ZDUSSCGKSA-N 2 1 243.354 2.481 20 0 BEADMP C(C[N@H+]1CC[C@@H]2C[C@@H]2C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699265293 965829275 /nfs/dbraw/zinc/82/92/75/965829275.db2.gz IEJPUDIGWNIMFR-CVFKAICRSA-N 2 1 234.387 2.249 20 0 BEADMP C[C@@H](COc1ccccc1)[NH2+]C1CC[NH+](C)CC1 ZINC000699295096 965834405 /nfs/dbraw/zinc/83/44/05/965834405.db2.gz CIWGVWLUUSNEKP-ZDUSSCGKSA-N 2 1 248.370 2.138 20 0 BEADMP CNc1ccccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205117806 965871732 /nfs/dbraw/zinc/87/17/32/965871732.db2.gz VWZXVFWTFFKKHO-ZDUSSCGKSA-N 2 1 233.359 2.042 20 0 BEADMP Cc1ccc(CCC[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)o1 ZINC001205131233 965936092 /nfs/dbraw/zinc/93/60/92/965936092.db2.gz VFWKKSREMYCPGN-WCQYABFASA-N 2 1 236.359 2.047 20 0 BEADMP Cc1cc[nH+]c(N2CCC3(CC([NH3+])C3)CC2)c1 ZINC001165244518 966008806 /nfs/dbraw/zinc/00/88/06/966008806.db2.gz YHLPPGRSDDVNIT-UHFFFAOYSA-N 2 1 231.343 2.098 20 0 BEADMP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2cccc3c2CCC3)C1 ZINC001236052304 966255548 /nfs/dbraw/zinc/25/55/48/966255548.db2.gz PYSVZUZMDRQCMR-WFASDCNBSA-N 2 1 244.382 2.344 20 0 BEADMP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2cccc3c2CCC3)C1 ZINC001236052304 966255558 /nfs/dbraw/zinc/25/55/58/966255558.db2.gz PYSVZUZMDRQCMR-WFASDCNBSA-N 2 1 244.382 2.344 20 0 BEADMP Cn1ccc2c1cccc2C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001236246413 966317344 /nfs/dbraw/zinc/31/73/44/966317344.db2.gz ZZROWNKVPJHPHB-CYBMUJFWSA-N 2 1 243.354 2.101 20 0 BEADMP Cn1ccc2c1cccc2C[N@H+]1CCC[C@@H]1C[NH3+] ZINC001236246413 966317362 /nfs/dbraw/zinc/31/73/62/966317362.db2.gz ZZROWNKVPJHPHB-CYBMUJFWSA-N 2 1 243.354 2.101 20 0 BEADMP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1cccc2c1CCC2 ZINC001236419283 966421869 /nfs/dbraw/zinc/42/18/69/966421869.db2.gz LLLRUOYYTZZBGL-WBMJQRKESA-N 2 1 244.382 2.487 20 0 BEADMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1cccc2c1CCC2 ZINC001236419283 966421880 /nfs/dbraw/zinc/42/18/80/966421880.db2.gz LLLRUOYYTZZBGL-WBMJQRKESA-N 2 1 244.382 2.487 20 0 BEADMP Cc1[nH]c2ccc(Nc3[nH+]ccn3C)cc2[nH+]1 ZINC001213070174 966459209 /nfs/dbraw/zinc/45/92/09/966459209.db2.gz BSMAYFYGCVQLFY-UHFFFAOYSA-N 2 1 227.271 2.348 20 0 BEADMP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc2ncccc12 ZINC001236865231 966598095 /nfs/dbraw/zinc/59/80/95/966598095.db2.gz GWLUBTHGRABBMH-ZDUSSCGKSA-N 2 1 243.354 2.404 20 0 BEADMP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc2ncccc12 ZINC001236865231 966598102 /nfs/dbraw/zinc/59/81/02/966598102.db2.gz GWLUBTHGRABBMH-ZDUSSCGKSA-N 2 1 243.354 2.404 20 0 BEADMP C[NH+](C)Cc1ccccc1Nc1ccc[nH+]c1N ZINC001212404251 967061742 /nfs/dbraw/zinc/06/17/42/967061742.db2.gz UCIJEMWPSSPUDM-UHFFFAOYSA-N 2 1 242.326 2.469 20 0 BEADMP C[C@@]1([NH3+])CC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC001204772791 967162471 /nfs/dbraw/zinc/16/24/71/967162471.db2.gz YHRBVINRWAFEQQ-CQSZACIVSA-N 2 1 229.327 2.091 20 0 BEADMP C[C@@]1([NH3+])CC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC001204772791 967162475 /nfs/dbraw/zinc/16/24/75/967162475.db2.gz YHRBVINRWAFEQQ-CQSZACIVSA-N 2 1 229.327 2.091 20 0 BEADMP Cc1ncccc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715569309 967182012 /nfs/dbraw/zinc/18/20/12/967182012.db2.gz AMPQIUCUJQJIKI-GJZGRUSLSA-N 2 1 247.386 2.352 20 0 BEADMP CC1(C[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)CCCCC1 ZINC001204904626 967227074 /nfs/dbraw/zinc/22/70/74/967227074.db2.gz UIWHIGYQLZMXCO-GFCCVEGCSA-N 2 1 222.376 2.380 20 0 BEADMP CC1(C[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)CCCCC1 ZINC001204904626 967227081 /nfs/dbraw/zinc/22/70/81/967227081.db2.gz UIWHIGYQLZMXCO-GFCCVEGCSA-N 2 1 222.376 2.380 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1CCc1ccc(F)cc1 ZINC001205058928 967312296 /nfs/dbraw/zinc/31/22/96/967312296.db2.gz YQLPHMOUMMRSCY-FZMZJTMJSA-N 2 1 236.334 2.180 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1CCc1ccc(F)cc1 ZINC001205058928 967312305 /nfs/dbraw/zinc/31/23/05/967312305.db2.gz YQLPHMOUMMRSCY-FZMZJTMJSA-N 2 1 236.334 2.180 20 0 BEADMP Cc1ccc(CCC[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])o1 ZINC001205058410 967314618 /nfs/dbraw/zinc/31/46/18/967314618.db2.gz LUXTYLZKQUIUFR-AAEUAGOBSA-N 2 1 236.359 2.332 20 0 BEADMP Cc1ccc(CCC[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])o1 ZINC001205058410 967314624 /nfs/dbraw/zinc/31/46/24/967314624.db2.gz LUXTYLZKQUIUFR-AAEUAGOBSA-N 2 1 236.359 2.332 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+](CCc2cccs2)CC1 ZINC001205093765 967338821 /nfs/dbraw/zinc/33/88/21/967338821.db2.gz FWCWPMWNJQZIIK-NSHDSACASA-N 2 1 224.373 2.104 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc(C)c1O ZINC001205109157 967351647 /nfs/dbraw/zinc/35/16/47/967351647.db2.gz BREWFHNQDBEIHN-AWEZNQCLSA-N 2 1 248.370 2.322 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)cnc1C ZINC001205117105 967365639 /nfs/dbraw/zinc/36/56/39/967365639.db2.gz KSMIRLYDGLJKHM-AWEZNQCLSA-N 2 1 233.359 2.012 20 0 BEADMP C[C@H]1C[N@@H+](Cc2cccc3occc32)C[C@H]1C[NH3+] ZINC001205150729 967394467 /nfs/dbraw/zinc/39/44/67/967394467.db2.gz IWXHZWFWKBNALR-WCQYABFASA-N 2 1 244.338 2.459 20 0 BEADMP COc1cccc(CCC[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC001205171201 967411985 /nfs/dbraw/zinc/41/19/85/967411985.db2.gz MGSVAUBZPHVRGZ-IUODEOHRSA-N 2 1 248.370 2.049 20 0 BEADMP COc1cccc(CCC[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC001205171201 967411988 /nfs/dbraw/zinc/41/19/88/967411988.db2.gz MGSVAUBZPHVRGZ-IUODEOHRSA-N 2 1 248.370 2.049 20 0 BEADMP C[C@@]1([NH3+])CCC[N@@H+](CC2CCCC2)CC1 ZINC001205255085 967441130 /nfs/dbraw/zinc/44/11/30/967441130.db2.gz GJYSUNJZJUGJOC-CYBMUJFWSA-N 2 1 210.365 2.380 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)o1 ZINC001205255141 967445192 /nfs/dbraw/zinc/44/51/92/967445192.db2.gz HHOAHIISZDWRLB-CYBMUJFWSA-N 2 1 222.332 2.291 20 0 BEADMP CCC(=O)C(C)(C)C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205256829 967447147 /nfs/dbraw/zinc/44/71/47/967447147.db2.gz QMTRJWYXBMMASJ-CQSZACIVSA-N 2 1 240.391 2.195 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)[nH]1 ZINC001205265256 967454878 /nfs/dbraw/zinc/45/48/78/967454878.db2.gz PCZMFBVRGYZMGH-ZDUSSCGKSA-N 2 1 221.348 2.026 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cn1 ZINC001205273243 967467588 /nfs/dbraw/zinc/46/75/88/967467588.db2.gz IQATYQCDYIWKKV-CQSZACIVSA-N 2 1 233.359 2.093 20 0 BEADMP Cc1c(O)cccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205280898 967469859 /nfs/dbraw/zinc/46/98/59/967469859.db2.gz LGUZZPCNHRESSR-OAHLLOKOSA-N 2 1 248.370 2.404 20 0 BEADMP Cc1cnsc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205288352 967484731 /nfs/dbraw/zinc/48/47/31/967484731.db2.gz JIXOEHNATXLRPE-GFCCVEGCSA-N 2 1 239.388 2.155 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C[C@H]1C[NH3+] ZINC001205297123 967498807 /nfs/dbraw/zinc/49/88/07/967498807.db2.gz ZKBTVZOWGRVMSJ-XLWJZTARSA-N 2 1 234.387 2.115 20 0 BEADMP CNc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205315397 967522951 /nfs/dbraw/zinc/52/29/51/967522951.db2.gz FXWHCPLFYRNEKU-TZMCWYRMSA-N 2 1 247.386 2.145 20 0 BEADMP CC[C@@H](C)C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205536733 967667960 /nfs/dbraw/zinc/66/79/60/967667960.db2.gz ACXRJZMQXDUUDS-VXGBXAGGSA-N 2 1 216.344 2.185 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205537482 967668138 /nfs/dbraw/zinc/66/81/38/967668138.db2.gz HMDGCXQWFUXJFB-GFCCVEGCSA-N 2 1 216.344 2.185 20 0 BEADMP C[C@H]1CC[N@@H+](Cc2ccco2)CC[C@@H]1C[NH3+] ZINC001205601951 967716709 /nfs/dbraw/zinc/71/67/09/967716709.db2.gz HCMMXMUGGXKSRQ-NWDGAFQWSA-N 2 1 222.332 2.086 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)ccn1 ZINC001205617567 967723980 /nfs/dbraw/zinc/72/39/80/967723980.db2.gz KZNMVPWQPNSPCK-IUODEOHRSA-N 2 1 247.386 2.197 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)ccn1 ZINC001205617568 967729749 /nfs/dbraw/zinc/72/97/49/967729749.db2.gz KZNMVPWQPNSPCK-SWLSCSKDSA-N 2 1 247.386 2.197 20 0 BEADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccn1C1CC1 ZINC001117784587 967777072 /nfs/dbraw/zinc/77/70/72/967777072.db2.gz KVKJWUJKDVUBTA-LBPRGKRZSA-N 2 1 235.375 2.253 20 0 BEADMP C[C@@]1([NH3+])C[C@H](Nc2cccc(C3CC3)[nH+]2)C1 ZINC001162332274 967807252 /nfs/dbraw/zinc/80/72/52/967807252.db2.gz XUKZGSXICUGMNR-GSJFWJNXSA-N 2 1 217.316 2.251 20 0 BEADMP CCO[C@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000701754281 967818227 /nfs/dbraw/zinc/81/82/27/967818227.db2.gz WCVQJRWDNWEXRM-ZDUSSCGKSA-N 2 1 228.380 2.006 20 0 BEADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1CCC(C)(C)C ZINC001205902204 967874596 /nfs/dbraw/zinc/87/45/96/967874596.db2.gz IPVCJWQKXORWNY-VXGBXAGGSA-N 2 1 212.381 2.482 20 0 BEADMP CCCCC[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205984688 967928114 /nfs/dbraw/zinc/92/81/14/967928114.db2.gz UEBGOAMDNHBMQM-QWHCGFSZSA-N 2 1 212.381 2.483 20 0 BEADMP CCOC(C)(C)C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205982591 967928627 /nfs/dbraw/zinc/92/86/27/967928627.db2.gz MMAPRRONMHICOK-OLZOCXBDSA-N 2 1 242.407 2.108 20 0 BEADMP Cc1cccnc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205996547 967953188 /nfs/dbraw/zinc/95/31/88/967953188.db2.gz XEXVYGVTGIQLPQ-KBPBESRZSA-N 2 1 247.386 2.197 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)nc1 ZINC001206003768 967955147 /nfs/dbraw/zinc/95/51/47/967955147.db2.gz MKJKRTVFOPQJDG-UONOGXRCSA-N 2 1 247.386 2.197 20 0 BEADMP Cc1c[nH]c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1C ZINC001206004360 967957133 /nfs/dbraw/zinc/95/71/33/967957133.db2.gz RWSGPBFJRVLWJX-OCCSQVGLSA-N 2 1 249.402 2.438 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC001206003526 967961945 /nfs/dbraw/zinc/96/19/45/967961945.db2.gz IZYZPZBPWCOLCK-DOMZBBRYSA-N 2 1 247.386 2.197 20 0 BEADMP CCc1ccccc1C[N@@H+]1CCC[NH2+]C[C@@H]1C ZINC001206262685 968183827 /nfs/dbraw/zinc/18/38/27/968183827.db2.gz DYCJUHCUMLGAAU-ZDUSSCGKSA-N 2 1 232.371 2.433 20 0 BEADMP CCc1ccccc1C[N@H+]1CCC[NH2+]C[C@@H]1C ZINC001206262685 968183834 /nfs/dbraw/zinc/18/38/34/968183834.db2.gz DYCJUHCUMLGAAU-ZDUSSCGKSA-N 2 1 232.371 2.433 20 0 BEADMP CC[C@H](C)C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206336895 968242833 /nfs/dbraw/zinc/24/28/33/968242833.db2.gz OUBWOZCRSBBPLP-RYUDHWBXSA-N 2 1 216.344 2.185 20 0 BEADMP C[C@H]1C[NH2+]CC[N@H+](Cc2cccc3c2CCC3)C1 ZINC001206284759 968194587 /nfs/dbraw/zinc/19/45/87/968194587.db2.gz GSGLATSZTNQMCZ-ZDUSSCGKSA-N 2 1 244.382 2.217 20 0 BEADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC001206284759 968194594 /nfs/dbraw/zinc/19/45/94/968194594.db2.gz GSGLATSZTNQMCZ-ZDUSSCGKSA-N 2 1 244.382 2.217 20 0 BEADMP CC[C@H](C)C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206336895 968242841 /nfs/dbraw/zinc/24/28/41/968242841.db2.gz OUBWOZCRSBBPLP-RYUDHWBXSA-N 2 1 216.344 2.185 20 0 BEADMP COc1cc(Nc2cc[nH+]c(N)c2)[nH+]cc1C ZINC001206543023 968370882 /nfs/dbraw/zinc/37/08/82/968370882.db2.gz PWEXQZNSYLLICM-UHFFFAOYSA-N 2 1 230.271 2.119 20 0 BEADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cncs2)C1 ZINC001206549548 968375700 /nfs/dbraw/zinc/37/57/00/968375700.db2.gz OQDPOYVGKAILJU-GFCCVEGCSA-N 2 1 239.388 2.094 20 0 BEADMP Cc1ccncc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206554546 968381554 /nfs/dbraw/zinc/38/15/54/968381554.db2.gz FCXSXAWZTOHNRK-OAHLLOKOSA-N 2 1 247.386 2.341 20 0 BEADMP Cc1c[nH]c(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1C ZINC001206623289 968422847 /nfs/dbraw/zinc/42/28/47/968422847.db2.gz KWBCQLUSHKCQMK-CYBMUJFWSA-N 2 1 235.375 2.192 20 0 BEADMP CC1(C[NH3+])C[NH+](Cc2cccc3cnccc32)C1 ZINC001206723679 968440695 /nfs/dbraw/zinc/44/06/95/968440695.db2.gz SCVNEZSMOQZNOQ-UHFFFAOYSA-N 2 1 241.338 2.015 20 0 BEADMP C[NH+](C)CC(C)(C)C[NH+]1CCC(F)(F)CC1 ZINC001207275234 968693920 /nfs/dbraw/zinc/69/39/20/968693920.db2.gz KROPVAFEJIIVNJ-UHFFFAOYSA-N 2 1 234.334 2.305 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H](F)CC1 ZINC001207275222 968705485 /nfs/dbraw/zinc/70/54/85/968705485.db2.gz KHERJZPFYGQGIC-GFCCVEGCSA-N 2 1 230.371 2.398 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@@H+](CC1CC1)C1CC1 ZINC001207287414 968715402 /nfs/dbraw/zinc/71/54/02/968715402.db2.gz DLWFPBLKMGAGOD-UHFFFAOYSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC001207283487 968717485 /nfs/dbraw/zinc/71/74/85/968717485.db2.gz ZGJAZOPMUWBIBA-TXEJJXNPSA-N 2 1 224.392 2.162 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@@H+](C)C1CCCC1 ZINC001207287136 968717895 /nfs/dbraw/zinc/71/78/95/968717895.db2.gz YEQUGPBPCRAMEN-UHFFFAOYSA-N 2 1 212.381 2.449 20 0 BEADMP CC(C)O[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207282903 968719057 /nfs/dbraw/zinc/71/90/57/968719057.db2.gz QMJMXAJPUANYCY-CYBMUJFWSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@@H]1CCC[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207286402 968720030 /nfs/dbraw/zinc/72/00/30/968720030.db2.gz RANHSUUFQIQTLV-GFCCVEGCSA-N 2 1 212.381 2.449 20 0 BEADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C[C@H]1F ZINC001207392013 968746709 /nfs/dbraw/zinc/74/67/09/968746709.db2.gz SWWBETSVDJVKFP-DGCLKSJQSA-N 2 1 228.355 2.008 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CCCCC23CC3)CC1 ZINC001207398571 968753344 /nfs/dbraw/zinc/75/33/44/968753344.db2.gz AMIHZQWONKJHRB-UHFFFAOYSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC(CC[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC1 ZINC001207485728 968797929 /nfs/dbraw/zinc/79/79/29/968797929.db2.gz XIEPTVIBJICQPH-MELADBBJSA-N 2 1 240.366 2.151 20 0 BEADMP CC(C)[C@@H]1CCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000829274388 968824899 /nfs/dbraw/zinc/82/48/99/968824899.db2.gz DCHQHNYNBPYUFW-KBPBESRZSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C2CC2)C1 ZINC000165277794 968868450 /nfs/dbraw/zinc/86/84/50/968868450.db2.gz HZTREZVDQLQLLN-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP C[N@@H+](Cc1ccncc1)CC1(C)CC[NH+](C)CC1 ZINC001208108081 969000338 /nfs/dbraw/zinc/00/03/38/969000338.db2.gz PPOKAONGQHRYRB-UHFFFAOYSA-N 2 1 247.386 2.245 20 0 BEADMP CC[C@@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208116251 969009783 /nfs/dbraw/zinc/00/97/83/969009783.db2.gz SRULZOMRSPLAID-CYBMUJFWSA-N 2 1 224.392 2.450 20 0 BEADMP CS[C@H](C)CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001208154752 969076599 /nfs/dbraw/zinc/07/65/99/969076599.db2.gz NREOALQGIJAPMM-UPJWGTAASA-N 2 1 242.432 2.297 20 0 BEADMP CCC[N@@H+](C[C@@H](O)C[NH+](CC)CC)[C@@H](C)CC ZINC001253175084 969098494 /nfs/dbraw/zinc/09/84/94/969098494.db2.gz FERCHLBUGUVPAO-KBPBESRZSA-N 2 1 244.423 2.200 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC1CC[NH+](CC)CC1 ZINC001208596541 969150534 /nfs/dbraw/zinc/15/05/34/969150534.db2.gz RTCGKZKNKWHEBU-LBPRGKRZSA-N 2 1 212.381 2.449 20 0 BEADMP C[C@H]1CCC[N@@H+](C[C@H]2CCC[NH+](C)C2)CC1 ZINC001208608484 969146973 /nfs/dbraw/zinc/14/69/73/969146973.db2.gz UFHROKJUYYZTTE-KBPBESRZSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@H]1CCC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208608484 969146977 /nfs/dbraw/zinc/14/69/77/969146977.db2.gz UFHROKJUYYZTTE-KBPBESRZSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@H]1CCC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208608484 969146982 /nfs/dbraw/zinc/14/69/82/969146982.db2.gz UFHROKJUYYZTTE-KBPBESRZSA-N 2 1 224.392 2.450 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC1 ZINC001208599605 969149997 /nfs/dbraw/zinc/14/99/97/969149997.db2.gz ILVCRDHPZJGQDP-MELADBBJSA-N 2 1 240.366 2.151 20 0 BEADMP CC[N@@H+](CC1CC[NH+](CC)CC1)C(C)C ZINC001208595486 969152025 /nfs/dbraw/zinc/15/20/25/969152025.db2.gz USBLTDHTMRBEQV-UHFFFAOYSA-N 2 1 212.381 2.449 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@H]3CCC[C@@H]3C2)C1 ZINC001208605178 969158952 /nfs/dbraw/zinc/15/89/52/969158952.db2.gz AJMCXDZMFNZIRN-RRFJBIMHSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)C1 ZINC001208605178 969158959 /nfs/dbraw/zinc/15/89/59/969158959.db2.gz AJMCXDZMFNZIRN-RRFJBIMHSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@H]3CCC[C@@H]3C2)C1 ZINC001208605178 969158967 /nfs/dbraw/zinc/15/89/67/969158967.db2.gz AJMCXDZMFNZIRN-RRFJBIMHSA-N 2 1 236.403 2.450 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CC3CCC(CC3)C2)C1 ZINC001208615554 969167840 /nfs/dbraw/zinc/16/78/40/969167840.db2.gz HXSDZIQULRLTQS-YMAMQOFZSA-N 2 1 236.403 2.450 20 0 BEADMP CC(C)[N@H+](CC1CC1)C[C@@H]1CCC[NH+](C)C1 ZINC001208609683 969169366 /nfs/dbraw/zinc/16/93/66/969169366.db2.gz VRLATPOJMLCTLR-CQSZACIVSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[N@@H+](CC1CC1)C[C@@H]1CCC[NH+](C)C1 ZINC001208609683 969169369 /nfs/dbraw/zinc/16/93/69/969169369.db2.gz VRLATPOJMLCTLR-CQSZACIVSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[NH+](CC1CC1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208609683 969169371 /nfs/dbraw/zinc/16/93/71/969169371.db2.gz VRLATPOJMLCTLR-CQSZACIVSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[NH+](CC1CC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208609683 969169374 /nfs/dbraw/zinc/16/93/74/969169374.db2.gz VRLATPOJMLCTLR-CQSZACIVSA-N 2 1 224.392 2.449 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccn1 ZINC001205991632 969211671 /nfs/dbraw/zinc/21/16/71/969211671.db2.gz BCMLJZUQJNZGKH-WFASDCNBSA-N 2 1 247.386 2.197 20 0 BEADMP CCCCC[C@@H](O)C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001253549801 969221811 /nfs/dbraw/zinc/22/18/11/969221811.db2.gz GCEBBQNWXWIKLB-UONOGXRCSA-N 2 1 242.407 2.002 20 0 BEADMP Cc1ccnc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001205994406 969254434 /nfs/dbraw/zinc/25/44/34/969254434.db2.gz LJYSWOTUGOTCTE-ZIAGYGMSSA-N 2 1 247.386 2.197 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C1CC1)C1CC1)C2 ZINC001169098162 969388869 /nfs/dbraw/zinc/38/88/69/969388869.db2.gz GHMNZECHUHLJQE-BTTYYORXSA-N 2 1 234.387 2.390 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC001169096776 969389139 /nfs/dbraw/zinc/38/91/39/969389139.db2.gz YFZPXEUPWVWNDO-QDMKHBRRSA-N 2 1 245.370 2.105 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC001169096776 969389143 /nfs/dbraw/zinc/38/91/43/969389143.db2.gz YFZPXEUPWVWNDO-QDMKHBRRSA-N 2 1 245.370 2.105 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1C3)C2 ZINC001169099736 969390834 /nfs/dbraw/zinc/39/08/34/969390834.db2.gz UMDBHGFOFYKMFD-PMKSJIGOSA-N 2 1 234.387 2.390 20 0 BEADMP CCCOCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099487 969391546 /nfs/dbraw/zinc/39/15/46/969391546.db2.gz SYBTTWWTBOUXEW-ZSOGYDGISA-N 2 1 240.391 2.018 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(C)CCC1)C2 ZINC001169096413 969394478 /nfs/dbraw/zinc/39/44/78/969394478.db2.gz WDIHFCXULBAIEI-ZSBIGDGJSA-N 2 1 208.349 2.144 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CC(C)(C)C1)C2 ZINC001169101513 969396763 /nfs/dbraw/zinc/39/67/63/969396763.db2.gz TVMAUXHXXSPYDW-LMKPVCQUSA-N 2 1 222.376 2.390 20 0 BEADMP CCC(C)(C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078829 969398450 /nfs/dbraw/zinc/39/84/50/969398450.db2.gz HVMZTHQGGVSIKU-CNDDSTCGSA-N 2 1 210.365 2.390 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)C2 ZINC001169081316 969402969 /nfs/dbraw/zinc/40/29/69/969402969.db2.gz QVRLKSPZVIHRDH-RKQHYHRCSA-N 2 1 240.366 2.482 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=[NH2+])C(C)(C)C)C2 ZINC001169081517 969403123 /nfs/dbraw/zinc/40/31/23/969403123.db2.gz SHASHOSWQOJNJO-JGPRNRPPSA-N 2 1 223.364 2.225 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCC1 ZINC001169118768 969413573 /nfs/dbraw/zinc/41/35/73/969413573.db2.gz NFYCYGBPVWDOJO-DOERSZECSA-N 2 1 222.376 2.390 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@@H]3CC[C@H]1C3)C2 ZINC001169119561 969413992 /nfs/dbraw/zinc/41/39/92/969413992.db2.gz UMDBHGFOFYKMFD-ARSDKDGVSA-N 2 1 234.387 2.390 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC13CCC3)C2 ZINC001169116573 969414026 /nfs/dbraw/zinc/41/40/26/969414026.db2.gz RDVRBPYOQUAPQL-RNJOBUHISA-N 2 1 220.360 2.144 20 0 BEADMP C[C@H]1C[C@@H](CF)[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169126117 969427832 /nfs/dbraw/zinc/42/78/32/969427832.db2.gz PVGIPDVGGSAIIV-HPCHECBXSA-N 2 1 240.366 2.292 20 0 BEADMP C[C@H]1C[C@@H](CF)[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169126117 969427835 /nfs/dbraw/zinc/42/78/35/969427835.db2.gz PVGIPDVGGSAIIV-HPCHECBXSA-N 2 1 240.366 2.292 20 0 BEADMP C[C@H]1C[C@@H](CF)[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169126117 969427839 /nfs/dbraw/zinc/42/78/39/969427839.db2.gz PVGIPDVGGSAIIV-HPCHECBXSA-N 2 1 240.366 2.292 20 0 BEADMP CCC[N@@H+](CC)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125021 969428172 /nfs/dbraw/zinc/42/81/72/969428172.db2.gz WHKCAERBVZNHLL-CLLJXQQHSA-N 2 1 210.365 2.344 20 0 BEADMP CCC[NH+](CC)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169125021 969428175 /nfs/dbraw/zinc/42/81/75/969428175.db2.gz WHKCAERBVZNHLL-CLLJXQQHSA-N 2 1 210.365 2.344 20 0 BEADMP CCC[NH+](CC)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125021 969428180 /nfs/dbraw/zinc/42/81/80/969428180.db2.gz WHKCAERBVZNHLL-CLLJXQQHSA-N 2 1 210.365 2.344 20 0 BEADMP CC[C@H](C)[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169131130 969441686 /nfs/dbraw/zinc/44/16/86/969441686.db2.gz PWAGAJCAABTMGH-WUHRBBMRSA-N 2 1 210.365 2.342 20 0 BEADMP CC[C@H](C)[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169131130 969441697 /nfs/dbraw/zinc/44/16/97/969441697.db2.gz PWAGAJCAABTMGH-WUHRBBMRSA-N 2 1 210.365 2.342 20 0 BEADMP CC[C@H](C)[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169131130 969441702 /nfs/dbraw/zinc/44/17/02/969441702.db2.gz PWAGAJCAABTMGH-WUHRBBMRSA-N 2 1 210.365 2.342 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(CF)CC1)C2 ZINC001169139382 969449282 /nfs/dbraw/zinc/44/92/82/969449282.db2.gz BQETXVJOYSIGGV-BTTYYORXSA-N 2 1 240.366 2.293 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@H]3CC[C@@H]1C3)C2 ZINC001169148089 969467407 /nfs/dbraw/zinc/46/74/07/969467407.db2.gz YJLZGUKQTQBEGS-QNSTZXKLSA-N 2 1 220.360 2.096 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1C[C@H]3CC[C@@H]1C3)C2 ZINC001169148089 969467416 /nfs/dbraw/zinc/46/74/16/969467416.db2.gz YJLZGUKQTQBEGS-QNSTZXKLSA-N 2 1 220.360 2.096 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1C[C@H]3CC[C@@H]1C3)C2 ZINC001169148089 969467434 /nfs/dbraw/zinc/46/74/34/969467434.db2.gz YJLZGUKQTQBEGS-QNSTZXKLSA-N 2 1 220.360 2.096 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@@H]3C[C@H]1C[C@@H]3F)C2 ZINC001169155861 969471496 /nfs/dbraw/zinc/47/14/96/969471496.db2.gz VKBKDWHNFCUOEH-XQZGEAEESA-N 2 1 238.350 2.044 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1C[C@@H]3C[C@H]1C[C@@H]3F)C2 ZINC001169155861 969471510 /nfs/dbraw/zinc/47/15/10/969471510.db2.gz VKBKDWHNFCUOEH-XQZGEAEESA-N 2 1 238.350 2.044 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1C[C@@H]3C[C@H]1C[C@@H]3F)C2 ZINC001169155861 969471521 /nfs/dbraw/zinc/47/15/21/969471521.db2.gz VKBKDWHNFCUOEH-XQZGEAEESA-N 2 1 238.350 2.044 20 0 BEADMP CC[N@@H+](C)C1CC[NH+](C[C@@H]2C[C@H]2C)CC1 ZINC001209427101 969496028 /nfs/dbraw/zinc/49/60/28/969496028.db2.gz OKBCGBXLPYYFHP-NEPJUHHUSA-N 2 1 210.365 2.059 20 0 BEADMP COCC[N@@H+](CCC[NH+]1CCCCC1)C(C)C ZINC001209448611 969518765 /nfs/dbraw/zinc/51/87/65/969518765.db2.gz FWJINSDIWAAJJK-UHFFFAOYSA-N 2 1 242.407 2.219 20 0 BEADMP CC[C@@H]1CC[N@@H+](C2CC[NH+](CC)CC2)C1 ZINC001169265017 969522501 /nfs/dbraw/zinc/52/25/01/969522501.db2.gz VWXOYXWIWQBBJO-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@@H]1CC[N@H+](C2CC[NH+](CC)CC2)C1 ZINC001169265017 969522508 /nfs/dbraw/zinc/52/25/08/969522508.db2.gz VWXOYXWIWQBBJO-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP CC[NH+]1CCC([NH2+]C2(CC)CCC2)CC1 ZINC001169241345 969529174 /nfs/dbraw/zinc/52/91/74/969529174.db2.gz VQUAGKJKECGQIG-UHFFFAOYSA-N 2 1 210.365 2.393 20 0 BEADMP CC[NH+]1CCC([NH+]2C[C@@H]3CCC[C@H]3C2)CC1 ZINC001169246678 969533768 /nfs/dbraw/zinc/53/37/68/969533768.db2.gz UOVRTILIAQFLPG-STQMWFEESA-N 2 1 222.376 2.203 20 0 BEADMP CCN1CCC([N@H+]2CC[C@@](C)(CF)C2)CC1 ZINC001169246267 969534339 /nfs/dbraw/zinc/53/43/39/969534339.db2.gz RRDXSLHFZUJWSR-ZDUSSCGKSA-N 2 1 228.355 2.152 20 0 BEADMP CC[NH+]1CCC([N@@H+]2CC[C@@](C)(CF)C2)CC1 ZINC001169246267 969534344 /nfs/dbraw/zinc/53/43/44/969534344.db2.gz RRDXSLHFZUJWSR-ZDUSSCGKSA-N 2 1 228.355 2.152 20 0 BEADMP CC[NH+]1CCC([N@H+]2CC[C@@](C)(CF)C2)CC1 ZINC001169246267 969534351 /nfs/dbraw/zinc/53/43/51/969534351.db2.gz RRDXSLHFZUJWSR-ZDUSSCGKSA-N 2 1 228.355 2.152 20 0 BEADMP CCN1CCC([N@@H+](C)C2CC(F)(F)C2)CC1 ZINC001169246272 969536647 /nfs/dbraw/zinc/53/66/47/969536647.db2.gz RTFDVIXOOHRLAC-UHFFFAOYSA-N 2 1 232.318 2.200 20 0 BEADMP CC[NH+]1CCC([NH+]2CCC(CF)CC2)CC1 ZINC001169258822 969544644 /nfs/dbraw/zinc/54/46/44/969544644.db2.gz UFRZWNOOLCWIAP-UHFFFAOYSA-N 2 1 228.355 2.152 20 0 BEADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccccc1 ZINC000925484610 969554378 /nfs/dbraw/zinc/55/43/78/969554378.db2.gz GQDWPTHYPALAJH-GZBFAFLISA-N 2 1 248.370 2.091 20 0 BEADMP CC(C)C1CC[NH+](Cc2c[nH+]ccc2N)CC1 ZINC001209731584 969594598 /nfs/dbraw/zinc/59/45/98/969594598.db2.gz UGTFIGMPZTUONG-UHFFFAOYSA-N 2 1 233.359 2.362 20 0 BEADMP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1cccc(N)c1 ZINC001254509306 969683051 /nfs/dbraw/zinc/68/30/51/969683051.db2.gz YMTHBOPDNQPZEY-WFASDCNBSA-N 2 1 247.386 2.404 20 0 BEADMP C[C@@H]1CCC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254516480 969685123 /nfs/dbraw/zinc/68/51/23/969685123.db2.gz MUROCHZCGBCAPW-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(F)(F)CC2)CC1 ZINC001254515656 969688082 /nfs/dbraw/zinc/68/80/82/969688082.db2.gz AKDJNOLFZBGUTR-LLVKDONJSA-N 2 1 232.318 2.202 20 0 BEADMP C[N@@H+](CCc1ccncc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254522154 969710010 /nfs/dbraw/zinc/71/00/10/969710010.db2.gz CZYPOMNLTUHXCK-OAHLLOKOSA-N 2 1 247.386 2.040 20 0 BEADMP C[NH+](CCc1ccncc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254522154 969710016 /nfs/dbraw/zinc/71/00/16/969710016.db2.gz CZYPOMNLTUHXCK-OAHLLOKOSA-N 2 1 247.386 2.040 20 0 BEADMP C[NH+](CCc1ccncc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254522154 969710023 /nfs/dbraw/zinc/71/00/23/969710023.db2.gz CZYPOMNLTUHXCK-OAHLLOKOSA-N 2 1 247.386 2.040 20 0 BEADMP Cc1ccc[nH+]c1NCC12CC[NH+](CC1)CC2 ZINC001169793721 969860878 /nfs/dbraw/zinc/86/08/78/969860878.db2.gz YXJSTTXODJCKLQ-UHFFFAOYSA-N 2 1 231.343 2.288 20 0 BEADMP [NH2+]=CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255126490 969945210 /nfs/dbraw/zinc/94/52/10/969945210.db2.gz MUULPGPNIPZGQT-QKDCVEJESA-N 2 1 243.354 2.379 20 0 BEADMP C[N@H+]1CC[C@@H](n2c(C[NH3+])cc3cccc(F)c32)C1 ZINC001255426291 970148912 /nfs/dbraw/zinc/14/89/12/970148912.db2.gz MSBUDZBIMHDIEE-LLVKDONJSA-N 2 1 247.317 2.116 20 0 BEADMP C[N@H+]1CCC[C@H](n2ccc3cc(C[NH3+])ccc32)C1 ZINC001255466257 970194885 /nfs/dbraw/zinc/19/48/85/970194885.db2.gz LYSOKTAQGRPGCB-AWEZNQCLSA-N 2 1 243.354 2.367 20 0 BEADMP [NH3+]CC1([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001255700172 970456696 /nfs/dbraw/zinc/45/66/96/970456696.db2.gz KBSPUKLOZIFONN-DTWKUNHWSA-N 2 1 236.281 2.188 20 0 BEADMP Cc1cc[nH+]c(C)c1NC[C@H]1CCCC[NH2+]1 ZINC000304465651 970601861 /nfs/dbraw/zinc/60/18/61/970601861.db2.gz FKKVQKBJKRIJHA-GFCCVEGCSA-N 2 1 219.332 2.252 20 0 BEADMP Cc1cc[nH+]c(C)c1Nc1cc[nH+]c(N)c1 ZINC000304502255 970608011 /nfs/dbraw/zinc/60/80/11/970608011.db2.gz IRNBTOIJKOUVMF-UHFFFAOYSA-N 2 1 214.272 2.419 20 0 BEADMP Cc1cc[nH+]c(C)c1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000304583203 970618380 /nfs/dbraw/zinc/61/83/80/970618380.db2.gz STADDPMCWKKBNQ-NWDGAFQWSA-N 2 1 219.332 2.380 20 0 BEADMP C1CC1[NH+]1CCC([NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC001256071824 970637167 /nfs/dbraw/zinc/63/71/67/970637167.db2.gz QXYYZQPAPFWCET-TYNCELHUSA-N 2 1 234.387 2.391 20 0 BEADMP CC1(F)CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256073658 970643621 /nfs/dbraw/zinc/64/36/21/970643621.db2.gz YAAFHYCVBQAJIF-UHFFFAOYSA-N 2 1 240.366 2.437 20 0 BEADMP C[C@]1(CF)CC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073570 970643929 /nfs/dbraw/zinc/64/39/29/970643929.db2.gz WPVAVQDLOMFGLI-CQSZACIVSA-N 2 1 240.366 2.295 20 0 BEADMP C[C@]1(CF)CC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073570 970643937 /nfs/dbraw/zinc/64/39/37/970643937.db2.gz WPVAVQDLOMFGLI-CQSZACIVSA-N 2 1 240.366 2.295 20 0 BEADMP C[N@H+](CC1CCC1)C1CC[NH+](C2CC2)CC1 ZINC001256077809 970649699 /nfs/dbraw/zinc/64/96/99/970649699.db2.gz RRSZMYOOKYWGFC-UHFFFAOYSA-N 2 1 222.376 2.345 20 0 BEADMP C[N@@H+](CC1CCC1)C1CC[NH+](C2CC2)CC1 ZINC001256077809 970649703 /nfs/dbraw/zinc/64/97/03/970649703.db2.gz RRSZMYOOKYWGFC-UHFFFAOYSA-N 2 1 222.376 2.345 20 0 BEADMP FC[C@H]1CCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256080588 970649998 /nfs/dbraw/zinc/64/99/98/970649998.db2.gz ZHEWARXUWHEMSS-GFCCVEGCSA-N 2 1 240.366 2.295 20 0 BEADMP FC[C@H]1CCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256080588 970650007 /nfs/dbraw/zinc/65/00/07/970650007.db2.gz ZHEWARXUWHEMSS-GFCCVEGCSA-N 2 1 240.366 2.295 20 0 BEADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccnc1 ZINC001256196682 970692426 /nfs/dbraw/zinc/69/24/26/970692426.db2.gz USOIZBGHVNAROS-CQSZACIVSA-N 2 1 233.359 2.217 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246542256 972568733 /nfs/dbraw/zinc/56/87/33/972568733.db2.gz NZNJWVZWNMQXSB-MELADBBJSA-N 2 1 242.407 2.393 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001246548262 972682501 /nfs/dbraw/zinc/68/25/01/972682501.db2.gz JVTMBMAWZAFVAJ-JHJVBQTASA-N 2 1 228.355 2.328 20 0 BEADMP C[C@H](CC(F)(F)F)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246589570 972989818 /nfs/dbraw/zinc/98/98/18/972989818.db2.gz SSIDMUYCUBALBU-HLTSFMKQSA-N 2 1 242.260 2.089 20 0 BEADMP CCC[C@@H](C)CC[C@@H](C)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246665975 973072991 /nfs/dbraw/zinc/07/29/91/973072991.db2.gz VOMDTPRPHJXJAN-XGFWRYKXSA-N 2 1 224.392 2.480 20 0 BEADMP CC(C)(C)C1CCC([N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC001246660563 973073923 /nfs/dbraw/zinc/07/39/23/973073923.db2.gz VJERIBYKBCXEJA-TWASESMYSA-N 2 1 236.403 2.480 20 0 BEADMP COCC[C@@H]1CCCC[N@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246781032 973089089 /nfs/dbraw/zinc/08/90/89/973089089.db2.gz DBLNNVGKJGDULP-MELADBBJSA-N 2 1 240.391 2.018 20 0 BEADMP CC1(C)CCC([N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC001246846549 973147224 /nfs/dbraw/zinc/14/72/24/973147224.db2.gz OOBXKTQTQUVPOR-STQMWFEESA-N 2 1 236.403 2.497 20 0 BEADMP F[C@@H]1CCC2(C1)CC[NH+](C1CC[NH2+]CC1)CC2 ZINC001246855491 973173092 /nfs/dbraw/zinc/17/30/92/973173092.db2.gz UUGODZVXHGGTIP-GFCCVEGCSA-N 2 1 240.366 2.343 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+]CC2(C)CC(F)(F)C2)CC1 ZINC000720935288 973666325 /nfs/dbraw/zinc/66/63/25/973666325.db2.gz NDRYZTILOMKOJX-NSHDSACASA-N 2 1 246.345 2.496 20 0 BEADMP C[C@H]([NH3+])C[N@H+](C)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001246982517 973755478 /nfs/dbraw/zinc/75/54/78/973755478.db2.gz XHCRVNNQUSPXAS-GXSJLCMTSA-N 2 1 238.762 2.086 20 0 BEADMP C[C@H]([NH3+])C[N@@H+](C)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001246982517 973755493 /nfs/dbraw/zinc/75/54/93/973755493.db2.gz XHCRVNNQUSPXAS-GXSJLCMTSA-N 2 1 238.762 2.086 20 0 BEADMP COC(=[NH2+])c1cccc(NC[C@H]2CCCC[NH2+]2)c1 ZINC001171333820 973855602 /nfs/dbraw/zinc/85/56/02/973855602.db2.gz FVQMCOHRTHJOLM-CYBMUJFWSA-N 2 1 247.342 2.212 20 0 BEADMP CCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206154187 974317779 /nfs/dbraw/zinc/31/77/79/974317779.db2.gz HHCBBVOKEVCOHT-NWDGAFQWSA-N 2 1 216.344 2.328 20 0 BEADMP CCCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206154187 974317790 /nfs/dbraw/zinc/31/77/90/974317790.db2.gz HHCBBVOKEVCOHT-NWDGAFQWSA-N 2 1 216.344 2.328 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206154539 974327781 /nfs/dbraw/zinc/32/77/81/974327781.db2.gz JUUWNNJTSDSIOW-KBPBESRZSA-N 2 1 236.334 2.256 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206154539 974327795 /nfs/dbraw/zinc/32/77/95/974327795.db2.gz JUUWNNJTSDSIOW-KBPBESRZSA-N 2 1 236.334 2.256 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1(CF)CC1)C2 ZINC001172101178 974333200 /nfs/dbraw/zinc/33/32/00/974333200.db2.gz XESAEWKNTLPRTL-ZSBIGDGJSA-N 2 1 226.339 2.093 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(CF)CC1)C2 ZINC001172101178 974333211 /nfs/dbraw/zinc/33/32/11/974333211.db2.gz XESAEWKNTLPRTL-ZSBIGDGJSA-N 2 1 226.339 2.093 20 0 BEADMP N[C@@H]1CC[N@@H+](C[C@H]2CC=CCC2)CC[C@@H]1F ZINC001206155567 974334996 /nfs/dbraw/zinc/33/49/96/974334996.db2.gz MGGVDBYUVHOCRS-RWMBFGLXSA-N 2 1 226.339 2.104 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](C[C@H]2CC=CCC2)CC[C@@H]1F ZINC001206155567 974335004 /nfs/dbraw/zinc/33/50/04/974335004.db2.gz MGGVDBYUVHOCRS-RWMBFGLXSA-N 2 1 226.339 2.104 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](C[C@H]2CC=CCC2)CC[C@@H]1F ZINC001206155567 974335017 /nfs/dbraw/zinc/33/50/17/974335017.db2.gz MGGVDBYUVHOCRS-RWMBFGLXSA-N 2 1 226.339 2.104 20 0 BEADMP C[C@@H]([NH3+])c1nccn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098428 974340943 /nfs/dbraw/zinc/34/09/43/974340943.db2.gz DWPHZWXIDWHONC-FVCCEPFGSA-N 2 1 248.374 2.091 20 0 BEADMP Cc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156397 974341195 /nfs/dbraw/zinc/34/11/95/974341195.db2.gz QMNIKRVMJWIZPQ-ZIAGYGMSSA-N 2 1 236.334 2.256 20 0 BEADMP Cc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156397 974341204 /nfs/dbraw/zinc/34/12/04/974341204.db2.gz QMNIKRVMJWIZPQ-ZIAGYGMSSA-N 2 1 236.334 2.256 20 0 BEADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001172100793 974343734 /nfs/dbraw/zinc/34/37/34/974343734.db2.gz UBNLTTQUHWZOGZ-DEQVHRJGSA-N 2 1 222.376 2.390 20 0 BEADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172100793 974343741 /nfs/dbraw/zinc/34/37/41/974343741.db2.gz UBNLTTQUHWZOGZ-DEQVHRJGSA-N 2 1 222.376 2.390 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001172100794 974343844 /nfs/dbraw/zinc/34/38/44/974343844.db2.gz UBNLTTQUHWZOGZ-DOERSZECSA-N 2 1 222.376 2.390 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172100794 974343852 /nfs/dbraw/zinc/34/38/52/974343852.db2.gz UBNLTTQUHWZOGZ-DOERSZECSA-N 2 1 222.376 2.390 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccccn1)C2 ZINC001172100830 974344235 /nfs/dbraw/zinc/34/42/35/974344235.db2.gz SNASWPCWWSDXCL-QDMKHBRRSA-N 2 1 245.370 2.187 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccccn1)C2 ZINC001172100830 974344238 /nfs/dbraw/zinc/34/42/38/974344238.db2.gz SNASWPCWWSDXCL-QDMKHBRRSA-N 2 1 245.370 2.187 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H]3CC[C@@H]1C3)C2 ZINC001172125154 974350007 /nfs/dbraw/zinc/35/00/07/974350007.db2.gz OUOHUDGPTIGBIO-VQJWOFKYSA-N 2 1 234.387 2.486 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@H]3CC[C@@H]1C3)C2 ZINC001172125154 974350016 /nfs/dbraw/zinc/35/00/16/974350016.db2.gz OUOHUDGPTIGBIO-VQJWOFKYSA-N 2 1 234.387 2.486 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@H]3CC[C@@H]1C3)C2 ZINC001172125154 974350025 /nfs/dbraw/zinc/35/00/25/974350025.db2.gz OUOHUDGPTIGBIO-VQJWOFKYSA-N 2 1 234.387 2.486 20 0 BEADMP CCSCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172102712 974360857 /nfs/dbraw/zinc/36/08/57/974360857.db2.gz OKBFBGMNCLSQPV-XYYAHUGASA-N 2 1 242.432 2.344 20 0 BEADMP COC(C)(C)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172103573 974364891 /nfs/dbraw/zinc/36/48/91/974364891.db2.gz VYPNVELKWGTELW-CLLJXQQHSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccno1 ZINC001172112913 974373921 /nfs/dbraw/zinc/37/39/21/974373921.db2.gz GSBFTRLSJOVJCQ-ZDEQEGDKSA-N 2 1 249.358 2.341 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccno1 ZINC001172112913 974373929 /nfs/dbraw/zinc/37/39/29/974373929.db2.gz GSBFTRLSJOVJCQ-ZDEQEGDKSA-N 2 1 249.358 2.341 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C)[C@H]1CC1(F)F ZINC001330628003 974374620 /nfs/dbraw/zinc/37/46/20/974374620.db2.gz ZXBZOCNKOSMYJQ-QCNOEVLYSA-N 2 1 246.345 2.493 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cccc1CC[NH3+])C2 ZINC001172113371 974385383 /nfs/dbraw/zinc/38/53/83/974385383.db2.gz CKYKJECCAVAAPC-QDMKHBRRSA-N 2 1 247.386 2.177 20 0 BEADMP CC[C@H](C)OCC[C@@H](C)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001172318289 974528799 /nfs/dbraw/zinc/52/87/99/974528799.db2.gz IMHUZSOQJNEGRM-AGIUHOORSA-N 2 1 228.380 2.003 20 0 BEADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CCC[C@H]([NH3+])C1 ZINC001172318289 974528805 /nfs/dbraw/zinc/52/88/05/974528805.db2.gz IMHUZSOQJNEGRM-AGIUHOORSA-N 2 1 228.380 2.003 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C[C@H]1C ZINC001172380128 974583532 /nfs/dbraw/zinc/58/35/32/974583532.db2.gz RHQBLNLGDJNJDQ-ZSAUSMIDSA-N 2 1 236.403 2.305 20 0 BEADMP C[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C[C@H]1C ZINC001172380128 974583536 /nfs/dbraw/zinc/58/35/36/974583536.db2.gz RHQBLNLGDJNJDQ-ZSAUSMIDSA-N 2 1 236.403 2.305 20 0 BEADMP C[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C[C@H]1C ZINC001172380128 974583542 /nfs/dbraw/zinc/58/35/42/974583542.db2.gz RHQBLNLGDJNJDQ-ZSAUSMIDSA-N 2 1 236.403 2.305 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)oc1C ZINC001206164076 974629981 /nfs/dbraw/zinc/62/99/81/974629981.db2.gz JEWVGTOMJNUZKN-STQMWFEESA-N 2 1 240.322 2.158 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)oc1C ZINC001206164076 974629984 /nfs/dbraw/zinc/62/99/84/974629984.db2.gz JEWVGTOMJNUZKN-STQMWFEESA-N 2 1 240.322 2.158 20 0 BEADMP CCOCC[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001172409909 974670511 /nfs/dbraw/zinc/67/05/11/974670511.db2.gz BENXGCPKMUPNOR-RDBSUJKOSA-N 2 1 242.407 2.264 20 0 BEADMP CCOCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001172409666 974670715 /nfs/dbraw/zinc/67/07/15/974670715.db2.gz ATQKSWOAUZTXFK-FQUUOJAGSA-N 2 1 240.391 2.016 20 0 BEADMP CCOCC[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001172410560 974673021 /nfs/dbraw/zinc/67/30/21/974673021.db2.gz HUPCLGUULQNZKY-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP CCOCC[C@@H](C)[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001172432646 974718069 /nfs/dbraw/zinc/71/80/69/974718069.db2.gz XNRMQDLCCATLNY-CYBMUJFWSA-N 2 1 242.407 2.218 20 0 BEADMP CC(C)COCC[C@H](C)[N@@H+](C)CCC[NH+](C)C ZINC001172468893 974765604 /nfs/dbraw/zinc/76/56/04/974765604.db2.gz PYSLZAURQXFZLC-AWEZNQCLSA-N 2 1 244.423 2.321 20 0 BEADMP CC(C)OCC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001172437791 974793733 /nfs/dbraw/zinc/79/37/33/974793733.db2.gz JGKDOPFLVYICLU-ZIAGYGMSSA-N 2 1 242.407 2.264 20 0 BEADMP CC(C)OCC[C@H](C)n1cc[nH+]c1CCC[NH3+] ZINC001172440925 974799614 /nfs/dbraw/zinc/79/96/14/974799614.db2.gz QROKICUUJJUOHV-LBPRGKRZSA-N 2 1 239.363 2.151 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CC=CCC3)[C@H]2C1 ZINC001204089637 974879860 /nfs/dbraw/zinc/87/98/60/974879860.db2.gz PUGZMSHURQBHBW-QPSCCSFWSA-N 2 1 234.387 2.273 20 0 BEADMP [NH3+][C@@H]1C[C@H]1[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001172819234 974945298 /nfs/dbraw/zinc/94/52/98/974945298.db2.gz DGDNUDWEZBMFBO-QDIHITRGSA-N 2 1 244.382 2.477 20 0 BEADMP c1[nH]c2ccc(NC[C@@H]3CCCC[NH2+]3)cc2[nH+]1 ZINC000258760619 974960621 /nfs/dbraw/zinc/96/06/21/974960621.db2.gz ABIPSIMJMUUDOU-NSHDSACASA-N 2 1 230.315 2.117 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCC[C@@H](OC)C1 ZINC001172951536 975007090 /nfs/dbraw/zinc/00/70/90/975007090.db2.gz RGOGUERIASWQJG-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP CCCOC1CCC([N@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC001173092578 975016758 /nfs/dbraw/zinc/01/67/58/975016758.db2.gz VMGOKYRZNCKEPO-HSBZDZAISA-N 2 1 240.391 2.147 20 0 BEADMP CC[NH+](CC)C1CCC([N@@H+]2C=C(N)C=CC2)CC1 ZINC001173105121 975021218 /nfs/dbraw/zinc/02/12/18/975021218.db2.gz ANYQTCPRTYJTEG-UHFFFAOYSA-N 2 1 249.402 2.311 20 0 BEADMP CCCOC1CCC([NH2+]C(C)(C)C[NH3+])CC1 ZINC001173087920 975023049 /nfs/dbraw/zinc/02/30/49/975023049.db2.gz RLWCGIJDSJKWJD-UHFFFAOYSA-N 2 1 228.380 2.051 20 0 BEADMP CCc1ccc(C[C@H](C)[NH2+]C2(C[NH3+])CC2)cc1 ZINC001173247884 975086593 /nfs/dbraw/zinc/08/65/93/975086593.db2.gz CYAOERGYHVYQSI-LBPRGKRZSA-N 2 1 232.371 2.261 20 0 BEADMP CC[C@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001173262393 975117944 /nfs/dbraw/zinc/11/79/44/975117944.db2.gz GOVANNKDETXSBV-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H]1CC[C@@H](n2c(C)c[nH+]c2CC[NH3+])C1 ZINC001173265814 975128905 /nfs/dbraw/zinc/12/89/05/975128905.db2.gz VZEOJZITAVBWQF-NWDGAFQWSA-N 2 1 221.348 2.444 20 0 BEADMP CCc1ccc(C[C@@H](C)[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001173237538 975158849 /nfs/dbraw/zinc/15/88/49/975158849.db2.gz HZSRTULDRSVKQK-DOMZBBRYSA-N 2 1 232.371 2.213 20 0 BEADMP CCc1ccc(C[C@@H](C)[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001173237538 975158854 /nfs/dbraw/zinc/15/88/54/975158854.db2.gz HZSRTULDRSVKQK-DOMZBBRYSA-N 2 1 232.371 2.213 20 0 BEADMP CCSC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001173307682 975215316 /nfs/dbraw/zinc/21/53/16/975215316.db2.gz IRLUJQRTHQEAAV-UPJWGTAASA-N 2 1 242.432 2.012 20 0 BEADMP CCSC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001173307682 975215322 /nfs/dbraw/zinc/21/53/22/975215322.db2.gz IRLUJQRTHQEAAV-UPJWGTAASA-N 2 1 242.432 2.012 20 0 BEADMP CCSC[C@@H](C)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001173307682 975215330 /nfs/dbraw/zinc/21/53/30/975215330.db2.gz IRLUJQRTHQEAAV-UPJWGTAASA-N 2 1 242.432 2.012 20 0 BEADMP CC[N@H+]1CC[C@H](n2ccc3cc(C[NH3+])ccc32)C1 ZINC001173347953 975288343 /nfs/dbraw/zinc/28/83/43/975288343.db2.gz KMVUDFOWLGAZAC-AWEZNQCLSA-N 2 1 243.354 2.367 20 0 BEADMP CC[N@H+]1CC[C@@H](n2ccc3ccc(C[NH3+])cc32)C1 ZINC001173351812 975299003 /nfs/dbraw/zinc/29/90/03/975299003.db2.gz ZGOMBODPHKKULZ-CQSZACIVSA-N 2 1 243.354 2.367 20 0 BEADMP Cc1c[nH+]ccc1Nc1cccc2[nH+]cn(C)c21 ZINC001174538525 976825578 /nfs/dbraw/zinc/82/55/78/976825578.db2.gz IWZRMSUSYRIALH-UHFFFAOYSA-N 2 1 238.294 2.442 20 0 BEADMP CC[NH+]1CC(Oc2cccc([C@H](C)[NH+](C)C)c2)C1 ZINC001229618942 976912339 /nfs/dbraw/zinc/91/23/39/976912339.db2.gz DGCRSKGRXJNCMI-LBPRGKRZSA-N 2 1 248.370 2.392 20 0 BEADMP C[NH+](C)Cc1ccccc1O[C@@H]1CCC[N@@H+](C)C1 ZINC001229699277 976950971 /nfs/dbraw/zinc/95/09/71/976950971.db2.gz MIJKMXOPJICLCI-CQSZACIVSA-N 2 1 248.370 2.221 20 0 BEADMP CC[N@H+]1CC[C@@H](Oc2ccccc2C[NH+](C)C)C1 ZINC001229699993 976952063 /nfs/dbraw/zinc/95/20/63/976952063.db2.gz UJRNYRJWGOBWDG-CQSZACIVSA-N 2 1 248.370 2.221 20 0 BEADMP Cc1cccc2[nH+]cc(NC3=CCC[N@@H+](C)C3)n21 ZINC001175577020 977591370 /nfs/dbraw/zinc/59/13/70/977591370.db2.gz OTYHOKZRVIRMIR-UHFFFAOYSA-N 2 1 242.326 2.274 20 0 BEADMP Cc1cccc2[nH+]cc(NC3=CCC[N@H+](C)C3)n21 ZINC001175577020 977591376 /nfs/dbraw/zinc/59/13/76/977591376.db2.gz OTYHOKZRVIRMIR-UHFFFAOYSA-N 2 1 242.326 2.274 20 0 BEADMP CCc1ccc(N[C@@H](C)CC[NH+](C)C)[nH+]c1 ZINC001336490898 977721671 /nfs/dbraw/zinc/72/16/71/977721671.db2.gz JSFWQUSHDFAJDF-NSHDSACASA-N 2 1 221.348 2.396 20 0 BEADMP Cc1ccc(F)c(CC[NH2+][C@@H]2CCCNC2)c1 ZINC001574155138 1170024515 /nfs/dbraw/zinc/02/45/15/1170024515.db2.gz SDRLJJFQLPFJMZ-CYBMUJFWSA-N 2 1 236.334 2.018 20 0 BEADMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)[C@@H]1CCCOC1 ZINC001232017866 977844527 /nfs/dbraw/zinc/84/45/27/977844527.db2.gz AEOUKPGMSPWVFZ-CYBMUJFWSA-N 2 1 245.326 2.174 20 0 BEADMP CC/C=C\CCC[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC001206269520 978016508 /nfs/dbraw/zinc/01/65/08/978016508.db2.gz POKNZHHJIQSWKS-ZFDPJTLLSA-N 2 1 210.365 2.274 20 0 BEADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]2C1 ZINC001336889259 978028719 /nfs/dbraw/zinc/02/87/19/978028719.db2.gz QITRCIQNIMPIFD-RRFJBIMHSA-N 2 1 248.370 2.442 20 0 BEADMP Cc1cccnc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206303124 978348134 /nfs/dbraw/zinc/34/81/34/978348134.db2.gz BMBGLRZVBJFKJE-HNNXBMFYSA-N 2 1 247.386 2.341 20 0 BEADMP C[NH+](C)CCC[N@H+](C)Cc1ccc2ncoc2c1 ZINC001232939506 978350247 /nfs/dbraw/zinc/35/02/47/978350247.db2.gz QGCMYYSHVPBBQX-UHFFFAOYSA-N 2 1 247.342 2.211 20 0 BEADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc2ncoc2c1 ZINC001232939506 978350260 /nfs/dbraw/zinc/35/02/60/978350260.db2.gz QGCMYYSHVPBBQX-UHFFFAOYSA-N 2 1 247.342 2.211 20 0 BEADMP CO[C@H]1CCC[C@H]([N@@H+](CCC[NH3+])C(C)C)C1 ZINC000069846607 978764129 /nfs/dbraw/zinc/76/41/29/978764129.db2.gz FCPFWIUHKPLWFT-STQMWFEESA-N 2 1 228.380 2.003 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C)C[C@@H]2C)CC1 ZINC001179898653 978781039 /nfs/dbraw/zinc/78/10/39/978781039.db2.gz RKRJEWMOMYGVLV-STQMWFEESA-N 2 1 224.392 2.449 20 0 BEADMP CN(c1cc[nH+]cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001339458967 978854706 /nfs/dbraw/zinc/85/47/06/978854706.db2.gz UIISQQJVOBGGCW-PBWFPOADSA-N 2 1 231.343 2.143 20 0 BEADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+](C2CCC2)C1 ZINC001339458379 978855239 /nfs/dbraw/zinc/85/52/39/978855239.db2.gz IYPYTFRMLARDRE-CYBMUJFWSA-N 2 1 245.370 2.392 20 0 BEADMP CCSCC[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001277914369 978946079 /nfs/dbraw/zinc/94/60/79/978946079.db2.gz RZGMIJUVHDMJDD-BETUJISGSA-N 2 1 242.432 2.013 20 0 BEADMP CCSCC[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001277914369 978946082 /nfs/dbraw/zinc/94/60/82/978946082.db2.gz RZGMIJUVHDMJDD-BETUJISGSA-N 2 1 242.432 2.013 20 0 BEADMP CCSCC[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001277914369 978946087 /nfs/dbraw/zinc/94/60/87/978946087.db2.gz RZGMIJUVHDMJDD-BETUJISGSA-N 2 1 242.432 2.013 20 0 BEADMP c1ccc(CCCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001235008411 978951319 /nfs/dbraw/zinc/95/13/19/978951319.db2.gz UQWMEOWBVWLSPU-JKSUJKDBSA-N 2 1 244.382 2.303 20 0 BEADMP c1ccc(CCCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001235008411 978951321 /nfs/dbraw/zinc/95/13/21/978951321.db2.gz UQWMEOWBVWLSPU-JKSUJKDBSA-N 2 1 244.382 2.303 20 0 BEADMP CCCC[C@@H](CC)C[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235024915 978955960 /nfs/dbraw/zinc/95/59/60/978955960.db2.gz SNZYEYBAAZIHLR-CYBMUJFWSA-N 2 1 224.392 2.498 20 0 BEADMP CC1=C[C@@H](C)[C@@H](C[N@H+]2CCC3(C[NH2+]C3)C2)CC1 ZINC001235024001 978956294 /nfs/dbraw/zinc/95/62/94/978956294.db2.gz JGHYLWARNPBBDX-ZIAGYGMSSA-N 2 1 234.387 2.274 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC3(C[NH2+]C3)C2)CC1 ZINC001235023998 978956350 /nfs/dbraw/zinc/95/63/50/978956350.db2.gz JGHYLWARNPBBDX-KBPBESRZSA-N 2 1 234.387 2.274 20 0 BEADMP c1c[nH]c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC001277922311 978974116 /nfs/dbraw/zinc/97/41/16/978974116.db2.gz KHJAXXRGKVRTGV-LQDVMPOASA-N 2 1 245.370 2.262 20 0 BEADMP CCCCC[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235126095 978978099 /nfs/dbraw/zinc/97/80/99/978978099.db2.gz RXTFRHNEPSCJLA-ZDUSSCGKSA-N 2 1 210.365 2.395 20 0 BEADMP CCCCC[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235126095 978978101 /nfs/dbraw/zinc/97/81/01/978978101.db2.gz RXTFRHNEPSCJLA-ZDUSSCGKSA-N 2 1 210.365 2.395 20 0 BEADMP [NH3+][C@]12C[C@H]1C[N@H+](CCCCCc1ccccc1)C2 ZINC001235146068 978980627 /nfs/dbraw/zinc/98/06/27/978980627.db2.gz GWCPVEGDYKEJEO-HOTGVXAUSA-N 2 1 244.382 2.432 20 0 BEADMP [NH3+][C@]12C[C@H]1C[N@@H+](CCCCCc1ccccc1)C2 ZINC001235146068 978980633 /nfs/dbraw/zinc/98/06/33/978980633.db2.gz GWCPVEGDYKEJEO-HOTGVXAUSA-N 2 1 244.382 2.432 20 0 BEADMP C[N@@H+]1CC[C@H]2C[NH+](C3CCCC3)C[C@H]2CC1 ZINC001277928638 978989148 /nfs/dbraw/zinc/98/91/48/978989148.db2.gz LGYQVRDWYOZLDW-BETUJISGSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](C3CCCC3)C[C@H]2CC1 ZINC001277928638 978989151 /nfs/dbraw/zinc/98/91/51/978989151.db2.gz LGYQVRDWYOZLDW-BETUJISGSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]2CC1 ZINC001277928638 978989154 /nfs/dbraw/zinc/98/91/54/978989154.db2.gz LGYQVRDWYOZLDW-BETUJISGSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H](CC[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1)CC(C)(C)C ZINC001235211544 978998726 /nfs/dbraw/zinc/99/87/26/978998726.db2.gz XLWWUBYWJDUQTE-WUHRBBMRSA-N 2 1 224.392 2.338 20 0 BEADMP C([C@H]1CCCC[NH2+]1)[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001235222649 978999815 /nfs/dbraw/zinc/99/98/15/978999815.db2.gz MRCNRQCQPCGDJG-HZSPNIEDSA-N 2 1 222.376 2.251 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]32)CC1 ZINC001235212285 979000775 /nfs/dbraw/zinc/00/07/75/979000775.db2.gz CJSXUKUESKONGD-GBJTYRQASA-N 2 1 234.387 2.273 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[N@H+]2C[C@H]3CC[NH2+]C[C@H]32)CC1 ZINC001235212285 979000783 /nfs/dbraw/zinc/00/07/83/979000783.db2.gz CJSXUKUESKONGD-GBJTYRQASA-N 2 1 234.387 2.273 20 0 BEADMP CCCC[C@H](CC)C[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235256718 979009674 /nfs/dbraw/zinc/00/96/74/979009674.db2.gz GKKHGQNUBMECQU-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP CCCC[C@H](CC)C[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235256723 979010653 /nfs/dbraw/zinc/01/06/53/979010653.db2.gz GKKHGQNUBMECQU-MELADBBJSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)=CCC[C@@H](C)C[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001235284139 979017473 /nfs/dbraw/zinc/01/74/73/979017473.db2.gz UGLNMQLGIGRNLH-YIYPIFLZSA-N 2 1 222.376 2.258 20 0 BEADMP CC1=CC[C@@H](CC[N@H+]2CC[C@H](N)C2)C1(C)C ZINC001235360906 979033372 /nfs/dbraw/zinc/03/33/72/979033372.db2.gz CTSAOVUOVATVCX-STQMWFEESA-N 2 1 222.376 2.402 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235404152 979037460 /nfs/dbraw/zinc/03/74/60/979037460.db2.gz MTHQUWHGGKRQOU-KBPBESRZSA-N 2 1 242.382 2.446 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC[C@H]2COC(C)(C)N2)[C@@H]1C ZINC001235694714 979125447 /nfs/dbraw/zinc/12/54/47/979125447.db2.gz ITAFKYVRPPQQCB-UPJWGTAASA-N 2 1 240.391 2.221 20 0 BEADMP C[C@@H]1CCC[N@H+](CC[C@H]2COC(C)(C)[NH2+]2)[C@@H]1C ZINC001235694714 979125459 /nfs/dbraw/zinc/12/54/59/979125459.db2.gz ITAFKYVRPPQQCB-UPJWGTAASA-N 2 1 240.391 2.221 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC[C@H]2COC(C)(C)[NH2+]2)[C@@H]1C ZINC001235694714 979125463 /nfs/dbraw/zinc/12/54/63/979125463.db2.gz ITAFKYVRPPQQCB-UPJWGTAASA-N 2 1 240.391 2.221 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235711233 979129534 /nfs/dbraw/zinc/12/95/34/979129534.db2.gz NQESMACPJYUEFT-UHFFFAOYSA-N 2 1 244.382 2.489 20 0 BEADMP CC1(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)CCCCC1 ZINC001235929046 979211540 /nfs/dbraw/zinc/21/15/40/979211540.db2.gz GMTWGVKMPSBEQV-ZIAGYGMSSA-N 2 1 236.403 2.498 20 0 BEADMP CC1(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)CCCCC1 ZINC001235929043 979212693 /nfs/dbraw/zinc/21/26/93/979212693.db2.gz GMTWGVKMPSBEQV-KBPBESRZSA-N 2 1 236.403 2.498 20 0 BEADMP CCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC001235958235 979225582 /nfs/dbraw/zinc/22/55/82/979225582.db2.gz AWYRPYUDRJZUJG-MUJYYYPQSA-N 2 1 244.382 2.418 20 0 BEADMP Cc1cccc(CC[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1 ZINC001235958692 979225854 /nfs/dbraw/zinc/22/58/54/979225854.db2.gz ITYYRPCSEBWWOW-MUJYYYPQSA-N 2 1 244.382 2.207 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c(C)c1 ZINC001235960473 979230580 /nfs/dbraw/zinc/23/05/80/979230580.db2.gz WRTRFRFBWNJDAF-MUJYYYPQSA-N 2 1 244.382 2.473 20 0 BEADMP COc1ccccc1[C@H](C)[N@@H+](C)CCCC[NH3+] ZINC001235963535 979237275 /nfs/dbraw/zinc/23/72/75/979237275.db2.gz WLXXRFNHCYHWPH-LBPRGKRZSA-N 2 1 236.359 2.427 20 0 BEADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1cccc3[nH]ccc31)C2 ZINC001235977178 979244601 /nfs/dbraw/zinc/24/46/01/979244601.db2.gz FSURVYJUBPTFLH-IUODEOHRSA-N 2 1 241.338 2.091 20 0 BEADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1cccc3[nH]ccc31)C2 ZINC001235977178 979244618 /nfs/dbraw/zinc/24/46/18/979244618.db2.gz FSURVYJUBPTFLH-IUODEOHRSA-N 2 1 241.338 2.091 20 0 BEADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](CCCCc1ccccc1)C2 ZINC001235978873 979248713 /nfs/dbraw/zinc/24/87/13/979248713.db2.gz LBYLDNWZBSVJEP-HZPDHXFCSA-N 2 1 244.382 2.432 20 0 BEADMP Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1C ZINC001235977883 979252725 /nfs/dbraw/zinc/25/27/25/979252725.db2.gz HUWCUQKUXVSKJE-GJZGRUSLSA-N 2 1 230.355 2.227 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1C ZINC001235977883 979252733 /nfs/dbraw/zinc/25/27/33/979252733.db2.gz HUWCUQKUXVSKJE-GJZGRUSLSA-N 2 1 230.355 2.227 20 0 BEADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1c[nH]c3ccccc13)C2 ZINC001235982157 979258779 /nfs/dbraw/zinc/25/87/79/979258779.db2.gz UFWKGIFYLQLMKO-IUODEOHRSA-N 2 1 241.338 2.091 20 0 BEADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1c[nH]c3ccccc13)C2 ZINC001235982157 979258792 /nfs/dbraw/zinc/25/87/92/979258792.db2.gz UFWKGIFYLQLMKO-IUODEOHRSA-N 2 1 241.338 2.091 20 0 BEADMP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1cccc3ccoc31)C2 ZINC001235984200 979264456 /nfs/dbraw/zinc/26/44/56/979264456.db2.gz BCWJNGQVQUJSEO-DZGCQCFKSA-N 2 1 242.322 2.356 20 0 BEADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1cccc3ccoc31)C2 ZINC001235984200 979264472 /nfs/dbraw/zinc/26/44/72/979264472.db2.gz BCWJNGQVQUJSEO-DZGCQCFKSA-N 2 1 242.322 2.356 20 0 BEADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1cccc3ccoc31)C2 ZINC001235984211 979268740 /nfs/dbraw/zinc/26/87/40/979268740.db2.gz BCWJNGQVQUJSEO-UKRRQHHQSA-N 2 1 242.322 2.356 20 0 BEADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1cccc3ccoc31)C2 ZINC001235984211 979268751 /nfs/dbraw/zinc/26/87/51/979268751.db2.gz BCWJNGQVQUJSEO-UKRRQHHQSA-N 2 1 242.322 2.356 20 0 BEADMP [NH3+]CCCC[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001235991752 979277626 /nfs/dbraw/zinc/27/76/26/979277626.db2.gz HIWUSCJEDDHXIW-UHFFFAOYSA-N 2 1 228.355 2.330 20 0 BEADMP CC1CC(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)C1 ZINC001341375592 979363334 /nfs/dbraw/zinc/36/33/34/979363334.db2.gz OFGMKYZPFJTEOL-RUXDESIVSA-N 2 1 224.392 2.449 20 0 BEADMP Cc1ccc(C[N@@H+]2CCC[NH2+][C@@H](C)C2)c(C)c1 ZINC001236097085 979384645 /nfs/dbraw/zinc/38/46/45/979384645.db2.gz HLVCFSJYAGBWAC-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[NH2+][C@@H](C)C2)c(C)c1 ZINC001236097085 979384659 /nfs/dbraw/zinc/38/46/59/979384659.db2.gz HLVCFSJYAGBWAC-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP CC[N@@H+](CCCC[NH3+])Cc1ccc(OC)cc1 ZINC001236102961 979389585 /nfs/dbraw/zinc/38/95/85/979389585.db2.gz SMYPUMWCTIDNFV-UHFFFAOYSA-N 2 1 236.359 2.256 20 0 BEADMP Cc1cccc2[nH]cc(C[N@@H+]3CCC[C@@H]3C[NH3+])c21 ZINC001236244917 979464097 /nfs/dbraw/zinc/46/40/97/979464097.db2.gz GPROTSXMRJEJSS-CYBMUJFWSA-N 2 1 243.354 2.399 20 0 BEADMP Cc1cccc2[nH]cc(C[N@H+]3CCC[C@@H]3C[NH3+])c21 ZINC001236244917 979464101 /nfs/dbraw/zinc/46/41/01/979464101.db2.gz GPROTSXMRJEJSS-CYBMUJFWSA-N 2 1 243.354 2.399 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CC[NH2+]CC[C@@H]2C)c1 ZINC000085622261 979522572 /nfs/dbraw/zinc/52/25/72/979522572.db2.gz JXIVGSKNXLHXAX-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP Cc1cc(C)cc(C[N@@H+]2CC[NH2+]CC[C@@H]2C)c1 ZINC000085622261 979522582 /nfs/dbraw/zinc/52/25/82/979522582.db2.gz JXIVGSKNXLHXAX-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP CCC[C@@H](C)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314456 979523963 /nfs/dbraw/zinc/52/39/63/979523963.db2.gz NGDLGQVBWKUJLC-MCIONIFRSA-N 2 1 224.392 2.354 20 0 BEADMP Fc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236314209 979524812 /nfs/dbraw/zinc/52/48/12/979524812.db2.gz LAKVGFZYMITKTP-OKILXGFUSA-N 2 1 248.345 2.257 20 0 BEADMP c1ccc(CC[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236315284 979528899 /nfs/dbraw/zinc/52/88/99/979528899.db2.gz ZJZPPHMHALAIPZ-IYBDPMFKSA-N 2 1 244.382 2.161 20 0 BEADMP C[N@@H+](CC1(C)CCCCC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412012 979586510 /nfs/dbraw/zinc/58/65/10/979586510.db2.gz ITWLTZKCAXMGKV-ITGUQSILSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccoc2)C1 ZINC001206542366 979671290 /nfs/dbraw/zinc/67/12/90/979671290.db2.gz ZGURPBUNRHEMEB-CYBMUJFWSA-N 2 1 222.332 2.231 20 0 BEADMP CS[C@@H](C)CC[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205254700 979731332 /nfs/dbraw/zinc/73/13/32/979731332.db2.gz ACGQGHGTXOAZFP-RYUDHWBXSA-N 2 1 230.421 2.331 20 0 BEADMP C[C@@]1([NH3+])CCC[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001205257231 979756880 /nfs/dbraw/zinc/75/68/80/979756880.db2.gz UQGWMVJBVZGARO-LJISPDSOSA-N 2 1 234.387 2.402 20 0 BEADMP CCOC(C)(C)C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205257945 979782163 /nfs/dbraw/zinc/78/21/63/979782163.db2.gz ZGBCFUPYURGRBO-CYBMUJFWSA-N 2 1 228.380 2.005 20 0 BEADMP C[C@H]([NH3+])C[N@H+](C)Cc1cccc2ccoc21 ZINC001236904978 979794175 /nfs/dbraw/zinc/79/41/75/979794175.db2.gz WYMIUEKZHKKOLE-JTQLQIEISA-N 2 1 218.300 2.212 20 0 BEADMP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc2ccoc21 ZINC001236904978 979794183 /nfs/dbraw/zinc/79/41/83/979794183.db2.gz WYMIUEKZHKKOLE-JTQLQIEISA-N 2 1 218.300 2.212 20 0 BEADMP Cc1cccnc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205263609 979801906 /nfs/dbraw/zinc/80/19/06/979801906.db2.gz AKIMNACPVUSOST-AWEZNQCLSA-N 2 1 233.359 2.093 20 0 BEADMP Cc1cccnc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205263610 979802046 /nfs/dbraw/zinc/80/20/46/979802046.db2.gz AKIMNACPVUSOST-CQSZACIVSA-N 2 1 233.359 2.093 20 0 BEADMP CC[N@H+](C)C1CC[NH+](Cc2cccc(N)c2)CC1 ZINC001237222734 979854976 /nfs/dbraw/zinc/85/49/76/979854976.db2.gz IVRLFRHHNJALNI-UHFFFAOYSA-N 2 1 247.386 2.185 20 0 BEADMP CC[N@@H+](C)C1CC[NH+](Cc2cccc(N)c2)CC1 ZINC001237222734 979854981 /nfs/dbraw/zinc/85/49/81/979854981.db2.gz IVRLFRHHNJALNI-UHFFFAOYSA-N 2 1 247.386 2.185 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)[C@@H]2C1 ZINC001184388522 980063263 /nfs/dbraw/zinc/06/32/63/980063263.db2.gz RBCSLZRMNBMZNS-XMEMRUQMSA-N 2 1 248.414 2.352 20 0 BEADMP c1[nH+]cn2c1cccc2C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001238120007 980168829 /nfs/dbraw/zinc/16/88/29/980168829.db2.gz SGKKJEVSPCHZHT-NWDGAFQWSA-N 2 1 227.311 2.319 20 0 BEADMP c1[nH+]cn2c1cccc2C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001238120007 980168832 /nfs/dbraw/zinc/16/88/32/980168832.db2.gz SGKKJEVSPCHZHT-NWDGAFQWSA-N 2 1 227.311 2.319 20 0 BEADMP Cc1cc(N(C)C)[nH+]cc1C1=CCC[NH2+]CC1 ZINC001238941427 980381376 /nfs/dbraw/zinc/38/13/76/980381376.db2.gz LQKVATGBLBNXAM-UHFFFAOYSA-N 2 1 231.343 2.223 20 0 BEADMP CN(C)c1cccc(C[N@H+](C)CCC[NH+](C)C)c1 ZINC000270565384 980490165 /nfs/dbraw/zinc/49/01/65/980490165.db2.gz YUCJQNWAQJUEIJ-UHFFFAOYSA-N 2 1 249.402 2.136 20 0 BEADMP CN(C)c1cccc(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000270565384 980490177 /nfs/dbraw/zinc/49/01/77/980490177.db2.gz YUCJQNWAQJUEIJ-UHFFFAOYSA-N 2 1 249.402 2.136 20 0 BEADMP C[N@H+](CCC(F)(F)F)C[C@]1(C)CCC[NH2+]C1 ZINC000083890094 980571263 /nfs/dbraw/zinc/57/12/63/980571263.db2.gz GQPUVGRRKISZNH-SNVBAGLBSA-N 2 1 238.297 2.260 20 0 BEADMP C[N@@H+](CCC(F)(F)F)C[C@]1(C)CCC[NH2+]C1 ZINC000083890094 980571270 /nfs/dbraw/zinc/57/12/70/980571270.db2.gz GQPUVGRRKISZNH-SNVBAGLBSA-N 2 1 238.297 2.260 20 0 BEADMP CCSC[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000157075039 980832858 /nfs/dbraw/zinc/83/28/58/980832858.db2.gz KLUBAIXGVSYGIW-LLVKDONJSA-N 2 1 230.421 2.202 20 0 BEADMP C[C@@H](CNc1cc[nH+]cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001347773127 981167941 /nfs/dbraw/zinc/16/79/41/981167941.db2.gz UBXIWHSLLFJHHY-OLZOCXBDSA-N 2 1 233.359 2.036 20 0 BEADMP C[N@@H+](Cc1ccc(C2=CC[NH2+]CC2)nc1)C1CC1 ZINC001240466393 981398608 /nfs/dbraw/zinc/39/86/08/981398608.db2.gz GARHFYCNOBZGDW-UHFFFAOYSA-N 2 1 243.354 2.053 20 0 BEADMP C[N@H+]1CCc2ccc(C3=CC[NH2+]CC3)cc2C1 ZINC001240470857 981407185 /nfs/dbraw/zinc/40/71/85/981407185.db2.gz VPBLUVJECOPCMH-UHFFFAOYSA-N 2 1 228.339 2.051 20 0 BEADMP C[N@H+]1CC[C@H](c2ccc(C3=CCC[NH2+]C3)cc2)C1 ZINC001240671350 981582226 /nfs/dbraw/zinc/58/22/26/981582226.db2.gz SNZAUJHHZMJEHY-INIZCTEOSA-N 2 1 242.366 2.482 20 0 BEADMP C[NH+](C)Cc1cccc(C2=CC[N@@H+](C)CC2)c1 ZINC001241319244 982474220 /nfs/dbraw/zinc/47/42/20/982474220.db2.gz FSPMRTYSLDSVDP-UHFFFAOYSA-N 2 1 230.355 2.467 20 0 BEADMP C[N@@H+]1CC=C(c2cccc3c2C[NH2+]CC3)CC1 ZINC001241328096 982487126 /nfs/dbraw/zinc/48/71/26/982487126.db2.gz WYJJMQUTUDBTCY-UHFFFAOYSA-N 2 1 228.339 2.051 20 0 BEADMP C1=CC[C@@H](C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000037408316 982941214 /nfs/dbraw/zinc/94/12/14/982941214.db2.gz LKDBLTXRTTVDRA-KGLIPLIRSA-N 2 1 234.387 2.417 20 0 BEADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNc1cc[nH+]cc1 ZINC001354019911 983117774 /nfs/dbraw/zinc/11/77/74/983117774.db2.gz XTOBXIRDLMNPDX-ZDUSSCGKSA-N 2 1 233.359 2.036 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CC=CCC3)C[C@@H]2C1 ZINC001201426247 983226209 /nfs/dbraw/zinc/22/62/09/983226209.db2.gz GHAVTSMFINVLCL-SOUVJXGZSA-N 2 1 234.387 2.226 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@H+](C[C@H]3CC=CCC3)C[C@@H]2C1 ZINC001201426247 983226212 /nfs/dbraw/zinc/22/62/12/983226212.db2.gz GHAVTSMFINVLCL-SOUVJXGZSA-N 2 1 234.387 2.226 20 0 BEADMP CCC[C@@H](C)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001201542917 983302905 /nfs/dbraw/zinc/30/29/05/983302905.db2.gz MYSAHGCEGIKMII-MCIONIFRSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[C@@H](C)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001201542917 983302899 /nfs/dbraw/zinc/30/28/99/983302899.db2.gz MYSAHGCEGIKMII-MCIONIFRSA-N 2 1 224.392 2.306 20 0 BEADMP CCC(CC)C[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001201534208 983326396 /nfs/dbraw/zinc/32/63/96/983326396.db2.gz DSWAXHLETSZXTF-OKILXGFUSA-N 2 1 224.392 2.306 20 0 BEADMP CCC(CC)C[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001201534208 983326400 /nfs/dbraw/zinc/32/64/00/983326400.db2.gz DSWAXHLETSZXTF-OKILXGFUSA-N 2 1 224.392 2.306 20 0 BEADMP CCC(CC)C[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001201534208 983326407 /nfs/dbraw/zinc/32/64/07/983326407.db2.gz DSWAXHLETSZXTF-OKILXGFUSA-N 2 1 224.392 2.306 20 0 BEADMP Cc1cc(N)[nH+]cc1-c1ccc2c[nH+]cn2c1 ZINC001242084567 983331959 /nfs/dbraw/zinc/33/19/59/983331959.db2.gz UQUMYKKILXSZOD-UHFFFAOYSA-N 2 1 224.267 2.287 20 0 BEADMP CCCC[C@@H](O)C[N@@H+](CCC)CCC[NH+](C)C ZINC001252098412 983556177 /nfs/dbraw/zinc/55/61/77/983556177.db2.gz VFPNWNYQUYFIBM-CQSZACIVSA-N 2 1 244.423 2.201 20 0 BEADMP CC1(C)CCCC[C@H]1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000852749668 983758322 /nfs/dbraw/zinc/75/83/22/983758322.db2.gz OXEXSJZIBCCVRD-RDBSUJKOSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)cc1 ZINC001474302674 983901692 /nfs/dbraw/zinc/90/16/92/983901692.db2.gz CKULLGIGSYMHSY-OWCLPIDISA-N 2 1 244.382 2.425 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cccc(C[NH3+])c1)C2 ZINC000150044189 983965345 /nfs/dbraw/zinc/96/53/45/983965345.db2.gz VNEUTDVWEUAGTD-AGGWBTHJSA-N 2 1 246.354 2.149 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000339211247 984022029 /nfs/dbraw/zinc/02/20/29/984022029.db2.gz GUJCFSZJSRVAHS-MCIONIFRSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1CC[C@@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000339211247 984022046 /nfs/dbraw/zinc/02/20/46/984022046.db2.gz GUJCFSZJSRVAHS-MCIONIFRSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1CC[C@@H]([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000339211247 984022052 /nfs/dbraw/zinc/02/20/52/984022052.db2.gz GUJCFSZJSRVAHS-MCIONIFRSA-N 2 1 222.376 2.203 20 0 BEADMP c1cc(-c2ccc3c(c2)C[NH2+]C3)c2c([nH+]1)NCC2 ZINC001242677495 984044635 /nfs/dbraw/zinc/04/46/35/984044635.db2.gz FTVPAVKGOBHJRJ-UHFFFAOYSA-N 2 1 237.306 2.320 20 0 BEADMP CCCCC1([NH2+]C[C@@H]([NH3+])CC(F)F)CC1 ZINC001577419643 984195456 /nfs/dbraw/zinc/19/54/56/984195456.db2.gz WPFRNVAVSDEKNT-VIFPVBQESA-N 2 1 220.307 2.281 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CCC2)CCC[C@H]1C[NH3+] ZINC001205983891 984214342 /nfs/dbraw/zinc/21/43/42/984214342.db2.gz PVOLCLPQHRVRIP-YPMHNXCESA-N 2 1 210.365 2.093 20 0 BEADMP CCC[C@@H](C)C[NH+]1CC2(C1)CC[N@H+](C)C2 ZINC001275074684 984461740 /nfs/dbraw/zinc/46/17/40/984461740.db2.gz VECDKGATLMHPKE-GFCCVEGCSA-N 2 1 210.365 2.060 20 0 BEADMP CCC[C@@H](C)C[NH+]1CC2(C1)CC[N@@H+](C)C2 ZINC001275074684 984461760 /nfs/dbraw/zinc/46/17/60/984461760.db2.gz VECDKGATLMHPKE-GFCCVEGCSA-N 2 1 210.365 2.060 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC001580288773 984498854 /nfs/dbraw/zinc/49/88/54/984498854.db2.gz XMZPOFUAJMLHHK-VNQPRFMTSA-N 2 1 244.382 2.461 20 0 BEADMP C[N@H+]1CCCC[C@@H]1c1ccc(C2=CC[NH2+]C2)nc1 ZINC001243108276 984556842 /nfs/dbraw/zinc/55/68/42/984556842.db2.gz NYLJPWKBALKAOS-OAHLLOKOSA-N 2 1 243.354 2.225 20 0 BEADMP CCOC(=[NH2+])c1cccc(C2=CC[NH2+]C2)c1 ZINC001243111982 984580877 /nfs/dbraw/zinc/58/08/77/984580877.db2.gz KXNSXVPDYRCBGW-UHFFFAOYSA-N 2 1 216.284 2.035 20 0 BEADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccoc3)(C1)CCC2 ZINC001275943575 984740070 /nfs/dbraw/zinc/74/00/70/984740070.db2.gz LXKBPSZAVBLJBW-UONOGXRCSA-N 2 1 234.343 2.434 20 0 BEADMP C[N@H+]1CCCC2(CC[NH+](Cc3cc[nH]c3)CC2)C1 ZINC001276103786 984817453 /nfs/dbraw/zinc/81/74/53/984817453.db2.gz POHIGQMYTCOGLS-UHFFFAOYSA-N 2 1 247.386 2.323 20 0 BEADMP Cl/C=C/C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326801159 984823991 /nfs/dbraw/zinc/82/39/91/984823991.db2.gz UENXWPGAIBKTAE-QHHAFSJGSA-N 2 1 228.767 2.205 20 0 BEADMP CCO[C@@H]1CCC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)C1 ZINC001578098286 984847450 /nfs/dbraw/zinc/84/74/50/984847450.db2.gz VXDKCJSHSYNPRK-MELADBBJSA-N 2 1 242.407 2.297 20 0 BEADMP CCC[C@@H](CC)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001257267477 984867424 /nfs/dbraw/zinc/86/74/24/984867424.db2.gz WZQBWNYLUBFKGJ-GFCCVEGCSA-N 2 1 221.348 2.320 20 0 BEADMP CCC[C@@H](CC)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001257267477 984867425 /nfs/dbraw/zinc/86/74/25/984867425.db2.gz WZQBWNYLUBFKGJ-GFCCVEGCSA-N 2 1 221.348 2.320 20 0 BEADMP CCC[C@H](CC)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001257267480 984867476 /nfs/dbraw/zinc/86/74/76/984867476.db2.gz WZQBWNYLUBFKGJ-LBPRGKRZSA-N 2 1 221.348 2.320 20 0 BEADMP CCC[C@H](CC)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001257267480 984867477 /nfs/dbraw/zinc/86/74/77/984867477.db2.gz WZQBWNYLUBFKGJ-LBPRGKRZSA-N 2 1 221.348 2.320 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)nc1 ZINC001578260056 984910493 /nfs/dbraw/zinc/91/04/93/984910493.db2.gz ZXIYFMNJBGNITB-OCCSQVGLSA-N 2 1 247.386 2.061 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)nc1 ZINC001578260055 984913184 /nfs/dbraw/zinc/91/31/84/984913184.db2.gz ZXIYFMNJBGNITB-JSGCOSHPSA-N 2 1 247.386 2.061 20 0 BEADMP CO[C@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)CC(C)C ZINC001578912784 985512415 /nfs/dbraw/zinc/51/24/15/985512415.db2.gz MENBBCLCOXQBFF-RYUDHWBXSA-N 2 1 230.396 2.011 20 0 BEADMP CO[C@@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)CC(C)C ZINC001578912785 985516108 /nfs/dbraw/zinc/51/61/08/985516108.db2.gz MENBBCLCOXQBFF-VXGBXAGGSA-N 2 1 230.396 2.011 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]2C2CCC2)C1 ZINC000688148501 985571802 /nfs/dbraw/zinc/57/18/02/985571802.db2.gz OECYIUVFQQBJML-YUTCNCBUSA-N 2 1 222.376 2.378 20 0 BEADMP C(=C/C1CC[NH2+]CC1)\c1cc[nH+]c2c1CCN2 ZINC001243896129 985581006 /nfs/dbraw/zinc/58/10/06/985581006.db2.gz GPWZVLKZYMFYEP-OWOJBTEDSA-N 2 1 229.327 2.062 20 0 BEADMP c1cc(C2=C[NH2+]CCC2)ncc1[C@H]1CCC[NH2+]1 ZINC001243947952 985628159 /nfs/dbraw/zinc/62/81/59/985628159.db2.gz RZAOGFJFWLBLMF-CYBMUJFWSA-N 2 1 229.327 2.230 20 0 BEADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CC[NH2+]2)cc1 ZINC001579192720 985821172 /nfs/dbraw/zinc/82/11/72/985821172.db2.gz HLRVHCRVJHMDNG-YRGRVCCFSA-N 2 1 248.370 2.139 20 0 BEADMP C[C@@H](C[NH3+])[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC001579395912 985873000 /nfs/dbraw/zinc/87/30/00/985873000.db2.gz SHPWOOCPPJPYAM-QMMMGPOBSA-N 2 1 247.169 2.473 20 0 BEADMP C[C@H](CC1CC1)n1cc[nH+]c1CCC[NH3+] ZINC001258457992 985900736 /nfs/dbraw/zinc/90/07/36/985900736.db2.gz NNCPVYDZHXPFPR-SNVBAGLBSA-N 2 1 207.321 2.136 20 0 BEADMP CCC(CC)C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001460864755 985923780 /nfs/dbraw/zinc/92/37/80/985923780.db2.gz RKYYYQGRRIOHQB-KGLIPLIRSA-N 2 1 224.392 2.306 20 0 BEADMP CCC(CC)C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001460864755 985923788 /nfs/dbraw/zinc/92/37/88/985923788.db2.gz RKYYYQGRRIOHQB-KGLIPLIRSA-N 2 1 224.392 2.306 20 0 BEADMP CCC(CC)C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001460864755 985923804 /nfs/dbraw/zinc/92/38/04/985923804.db2.gz RKYYYQGRRIOHQB-KGLIPLIRSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001460865748 985924658 /nfs/dbraw/zinc/92/46/58/985924658.db2.gz ZZIPEUKCEHVCKV-XQQFMLRXSA-N 2 1 210.365 2.059 20 0 BEADMP CCC[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001460865748 985924672 /nfs/dbraw/zinc/92/46/72/985924672.db2.gz ZZIPEUKCEHVCKV-XQQFMLRXSA-N 2 1 210.365 2.059 20 0 BEADMP CCC[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001460865748 985924682 /nfs/dbraw/zinc/92/46/82/985924682.db2.gz ZZIPEUKCEHVCKV-XQQFMLRXSA-N 2 1 210.365 2.059 20 0 BEADMP CCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001460865748 985924694 /nfs/dbraw/zinc/92/46/94/985924694.db2.gz ZZIPEUKCEHVCKV-XQQFMLRXSA-N 2 1 210.365 2.059 20 0 BEADMP C[C@H](CC[NH2+]Cc1cccnc1)[NH+]1CCCCC1 ZINC001461430454 986055535 /nfs/dbraw/zinc/05/55/35/986055535.db2.gz MUXNNTPLAAPPSG-CQSZACIVSA-N 2 1 247.386 2.436 20 0 BEADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc(C)n1 ZINC001579598175 986113103 /nfs/dbraw/zinc/11/31/03/986113103.db2.gz GYXKIMXDXZRSCI-DZGCQCFKSA-N 2 1 247.386 2.258 20 0 BEADMP Cc1cccc(C[N@@H+](C)CCC2C[NH2+]C2)c1C ZINC001579760413 986218559 /nfs/dbraw/zinc/21/85/59/986218559.db2.gz AUTSMPBFLIVJJR-UHFFFAOYSA-N 2 1 232.371 2.345 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1C[C@@H]2CCC[C@@H]21 ZINC001462193781 986309245 /nfs/dbraw/zinc/30/92/45/986309245.db2.gz VFLIQLUYFIITBG-RFGFWPKPSA-N 2 1 224.392 2.495 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CC)CCOC ZINC001258907623 986310303 /nfs/dbraw/zinc/31/03/03/986310303.db2.gz LKWNEPLGCGCMCY-CQSZACIVSA-N 2 1 244.423 2.465 20 0 BEADMP Fc1ccc(C2C[NH+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001580030065 986431547 /nfs/dbraw/zinc/43/15/47/986431547.db2.gz GUIONUUXFFIFLO-GFCCVEGCSA-N 2 1 248.345 2.225 20 0 BEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CC3(CCC3)C1)C2 ZINC001580169460 986646185 /nfs/dbraw/zinc/64/61/85/986646185.db2.gz FYWGLMSFTTYTGQ-YUTCNCBUSA-N 2 1 234.387 2.378 20 0 BEADMP [NH3+]C[C@H]([NH2+]CCCCc1ccccc1)C1CC1 ZINC001580230094 986681331 /nfs/dbraw/zinc/68/13/31/986681331.db2.gz ZLCLSTKNEDONEB-HNNXBMFYSA-N 2 1 232.371 2.336 20 0 BEADMP C[NH2+]CC[N@H+](C)[C@H](C)CCCC(C)C ZINC000379979786 986692322 /nfs/dbraw/zinc/69/23/22/986692322.db2.gz GTZHIKKIFGPOIA-GFCCVEGCSA-N 2 1 200.370 2.352 20 0 BEADMP C[NH2+]CC[N@@H+](C)[C@H](C)CCCC(C)C ZINC000379979786 986692332 /nfs/dbraw/zinc/69/23/32/986692332.db2.gz GTZHIKKIFGPOIA-GFCCVEGCSA-N 2 1 200.370 2.352 20 0 BEADMP [NH3+]CC1(C[N@H+]2CC[C@H]2Cc2ccccc2)CC1 ZINC001580243956 986694401 /nfs/dbraw/zinc/69/44/01/986694401.db2.gz NGNMWYLETCDJJB-AWEZNQCLSA-N 2 1 230.355 2.042 20 0 BEADMP Cc1cccc(C(=[NH2+])N[C@H]2CCC[N@@H+](C)C2)c1 ZINC001255472743 986974965 /nfs/dbraw/zinc/97/49/65/986974965.db2.gz FVUIMTRNELCLLK-ZDUSSCGKSA-N 2 1 231.343 2.004 20 0 BEADMP Cc1cccc(C(=[NH2+])N[C@H]2CCC[N@H+](C)C2)c1 ZINC001255472743 986974971 /nfs/dbraw/zinc/97/49/71/986974971.db2.gz FVUIMTRNELCLLK-ZDUSSCGKSA-N 2 1 231.343 2.004 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@H](C)CC(F)(F)F ZINC001255632507 987032922 /nfs/dbraw/zinc/03/29/22/987032922.db2.gz AYUWWMHABFTHFQ-SECBINFHSA-N 2 1 226.286 2.388 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@@H+](CCCO)C(C)C ZINC001255964432 987102067 /nfs/dbraw/zinc/10/20/67/987102067.db2.gz SIGWSCAXHAVEAE-AWEZNQCLSA-N 2 1 244.423 2.200 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000691657812 987288536 /nfs/dbraw/zinc/28/85/36/987288536.db2.gz AIQKXNBCFRNUME-IIZVFWCOSA-N 2 1 236.403 2.482 20 0 BEADMP CC(C)[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000697052267 987346440 /nfs/dbraw/zinc/34/64/40/987346440.db2.gz MKKSDCIUTCTBJR-UONOGXRCSA-N 2 1 224.392 2.354 20 0 BEADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000697037160 987347075 /nfs/dbraw/zinc/34/70/75/987347075.db2.gz OBGWUAAIFFDMND-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)[C@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000697052264 987347159 /nfs/dbraw/zinc/34/71/59/987347159.db2.gz MKKSDCIUTCTBJR-KBPBESRZSA-N 2 1 224.392 2.354 20 0 BEADMP CC(C)CC[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000697041140 987347595 /nfs/dbraw/zinc/34/75/95/987347595.db2.gz LQTGFVOFLVZTRO-CYBMUJFWSA-N 2 1 212.381 2.354 20 0 BEADMP CC1(C)CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000697038342 987348829 /nfs/dbraw/zinc/34/88/29/987348829.db2.gz BRJHIZFSNVCKBA-LBPRGKRZSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@H]2Cc3cccc(F)c3C2)CN1 ZINC001246084577 987381987 /nfs/dbraw/zinc/38/19/87/987381987.db2.gz KUJHHGVNJOWGEW-DRZSPHRISA-N 2 1 248.345 2.023 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@H]2Cc3cccc(F)c3C2)C[NH2+]1 ZINC001246084577 987381993 /nfs/dbraw/zinc/38/19/93/987381993.db2.gz KUJHHGVNJOWGEW-DRZSPHRISA-N 2 1 248.345 2.023 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246094091 987402117 /nfs/dbraw/zinc/40/21/17/987402117.db2.gz GSJCXTALRKGPGP-HIFRSBDPSA-N 2 1 232.371 2.268 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001246095436 987404313 /nfs/dbraw/zinc/40/43/13/987404313.db2.gz IODWOOKTZVVCNE-RGDJUOJXSA-N 2 1 224.392 2.399 20 0 BEADMP CCc1ccc(C[C@H](C)[NH2+][C@@H]2C[NH2+]C[C@@H]2C)cc1 ZINC001246118404 987462411 /nfs/dbraw/zinc/46/24/11/987462411.db2.gz XPFSYZCKQBNYEI-HEHGZKQESA-N 2 1 246.398 2.378 20 0 BEADMP CC[C@@H](Cc1ccccc1)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246129008 987478578 /nfs/dbraw/zinc/47/85/78/987478578.db2.gz FVAKCWKNMAMIBD-GJZGRUSLSA-N 2 1 244.382 2.349 20 0 BEADMP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246132105 987481427 /nfs/dbraw/zinc/48/14/27/987481427.db2.gz KWXWBSHNEZVCAJ-RISCZKNCSA-N 2 1 248.345 2.098 20 0 BEADMP c1csc(CCC[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC001246171956 987539973 /nfs/dbraw/zinc/53/99/73/987539973.db2.gz XWIOCPODWQVFHX-LLVKDONJSA-N 2 1 224.373 2.022 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C2(Cc3ccccc3)CC2)C[NH2+]1 ZINC001246193965 987588780 /nfs/dbraw/zinc/58/87/80/987588780.db2.gz YPCBZWHMIVZHTG-HIFRSBDPSA-N 2 1 244.382 2.492 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)CCO1 ZINC001116465767 987595158 /nfs/dbraw/zinc/59/51/58/987595158.db2.gz XDKLSDWOSHDNKO-MQYQWHSLSA-N 2 1 240.391 2.016 20 0 BEADMP Cc1cc(F)cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246238710 987639403 /nfs/dbraw/zinc/63/94/03/987639403.db2.gz ZEAGIXHTPNYSMT-FZMZJTMJSA-N 2 1 236.334 2.364 20 0 BEADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(O)cc32)CC[NH2+]1 ZINC001246285039 987677859 /nfs/dbraw/zinc/67/78/59/987677859.db2.gz FDWCCVPCWHXMTQ-JVLSTEMRSA-N 2 1 246.354 2.110 20 0 BEADMP CC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(C)o1 ZINC001246311687 987712852 /nfs/dbraw/zinc/71/28/52/987712852.db2.gz XCKNWIOTCSTXAE-GFCCVEGCSA-N 2 1 222.332 2.381 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@@H]2CCC[C@@H]21 ZINC001474471456 987729402 /nfs/dbraw/zinc/72/94/02/987729402.db2.gz NWCMGHGECSOFPA-IHRRRGAJSA-N 2 1 233.359 2.360 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C[C@H]1C ZINC001246325019 987730820 /nfs/dbraw/zinc/73/08/20/987730820.db2.gz IODWOOKTZVVCNE-ITGHMWBKSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C[C@H]1C ZINC001246325016 987732839 /nfs/dbraw/zinc/73/28/39/987732839.db2.gz IODWOOKTZVVCNE-BJJPWKGXSA-N 2 1 224.392 2.399 20 0 BEADMP CC[C@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)C1 ZINC001246332663 987738418 /nfs/dbraw/zinc/73/84/18/987738418.db2.gz RNZYWZBMPAJHOP-VOAKCMCISA-N 2 1 210.365 2.295 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CC2(c3ccccc3)CC2)C[NH2+]1 ZINC001246330612 987739543 /nfs/dbraw/zinc/73/95/43/987739543.db2.gz DEWUWCRMFCCISU-HIFRSBDPSA-N 2 1 244.382 2.448 20 0 BEADMP CC1(C)[C@@H]2C[C@@H]([NH2+][C@@H]3C[NH2+]CCC3(C)C)C[C@@H]21 ZINC001246333589 987741301 /nfs/dbraw/zinc/74/13/01/987741301.db2.gz WCCUEVFFJPQHAV-FVCCEPFGSA-N 2 1 236.403 2.399 20 0 BEADMP CC1(C)[C@@H]2C[C@H]([NH2+][C@@H]3C[NH2+]CCC3(C)C)C[C@@H]21 ZINC001246333597 987741584 /nfs/dbraw/zinc/74/15/84/987741584.db2.gz WCCUEVFFJPQHAV-YVECIDJPSA-N 2 1 236.403 2.399 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+]CC1CC(OC)C1 ZINC001474559910 987758040 /nfs/dbraw/zinc/75/80/40/987758040.db2.gz MOKQLABQBQBJGV-HSBZDZAISA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]CC1CC(OC)C1 ZINC001474559910 987758041 /nfs/dbraw/zinc/75/80/41/987758041.db2.gz MOKQLABQBQBJGV-HSBZDZAISA-N 2 1 242.407 2.121 20 0 BEADMP Cc1ccc(C[C@H](C)N[C@@H]2CCC[NH2+]C2)cc1 ZINC001246352711 987758921 /nfs/dbraw/zinc/75/89/21/987758921.db2.gz YWSHWSBBCBUQGZ-DZGCQCFKSA-N 2 1 232.371 2.268 20 0 BEADMP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246352711 987758926 /nfs/dbraw/zinc/75/89/26/987758926.db2.gz YWSHWSBBCBUQGZ-DZGCQCFKSA-N 2 1 232.371 2.268 20 0 BEADMP CCCOC1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246359664 987767537 /nfs/dbraw/zinc/76/75/37/987767537.db2.gz UPEKXSSBGQAKDW-ROKHWSDSSA-N 2 1 240.391 2.066 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc3[nH]ccc3c2)C[NH2+]1 ZINC001246366059 987770714 /nfs/dbraw/zinc/77/07/14/987770714.db2.gz PYBMTTYJAXTCME-RISCZKNCSA-N 2 1 243.354 2.050 20 0 BEADMP C([NH2+][C@@H]1CCC[NH2+]C1)C1(CC2CCC2)CC1 ZINC001246376128 987774733 /nfs/dbraw/zinc/77/47/33/987774733.db2.gz LXGLTVWWYVVGFN-CYBMUJFWSA-N 2 1 222.376 2.298 20 0 BEADMP CC(C)(CC1CCC1)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246404842 987787676 /nfs/dbraw/zinc/78/76/76/987787676.db2.gz IODFRPUFLZTAEX-LBPRGKRZSA-N 2 1 210.365 2.297 20 0 BEADMP CC1([NH2+][C@H]2CCC[NH2+]C2)CCC(F)(F)CC1 ZINC001246410465 987791629 /nfs/dbraw/zinc/79/16/29/987791629.db2.gz HFJDCLDGSYOZOQ-JTQLQIEISA-N 2 1 232.318 2.296 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCc3ccccc32)C[NH2+]1 ZINC001246422468 987794448 /nfs/dbraw/zinc/79/44/48/987794448.db2.gz WZJVBNZTOIQKQX-YUELXQCFSA-N 2 1 244.382 2.447 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C(C)(C)Cc2cccnc2)C[NH2+]1 ZINC001246445256 987801544 /nfs/dbraw/zinc/80/15/44/987801544.db2.gz DXEWYSNSROJZJW-OCCSQVGLSA-N 2 1 247.386 2.133 20 0 BEADMP CCCCC[C@H](CC)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246452613 987809735 /nfs/dbraw/zinc/80/97/35/987809735.db2.gz KOKYVWBAWHWRTK-AWEZNQCLSA-N 3 1 243.439 2.263 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC001117319497 987821373 /nfs/dbraw/zinc/82/13/73/987821373.db2.gz VECJSHPOWILMQL-VHDGCEQUSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCc3ccccc32)C[NH2+]1 ZINC001246466103 987825714 /nfs/dbraw/zinc/82/57/14/987825714.db2.gz LZXXLNQTLBCUIG-VHDGCEQUSA-N 2 1 244.382 2.447 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCc3ccccc32)C[NH2+]1 ZINC001246466101 987826274 /nfs/dbraw/zinc/82/62/74/987826274.db2.gz LZXXLNQTLBCUIG-BPLDGKMQSA-N 2 1 244.382 2.447 20 0 BEADMP Cc1ccc2c(c1)C[C@H]([NH2+]CC[NH2+]C(C)C)CC2 ZINC001246466950 987827050 /nfs/dbraw/zinc/82/70/50/987827050.db2.gz XUSNGISAMAZQGC-MRXNPFEDSA-N 2 1 246.398 2.440 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3O)CC[NH2+]1 ZINC001246504035 987856748 /nfs/dbraw/zinc/85/67/48/987856748.db2.gz OXXGPWATHUPPSI-SUNKGSAMSA-N 2 1 246.354 2.110 20 0 BEADMP CCCC[C@H](CCC)[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001246536316 987895612 /nfs/dbraw/zinc/89/56/12/987895612.db2.gz ULRNRQAORQYOND-KBPBESRZSA-N 2 1 242.407 2.395 20 0 BEADMP CCCCCC[C@H](CC)[N@@H+]1C[C@@H]([NH3+])C[C@H](O)C1 ZINC001246542441 987910883 /nfs/dbraw/zinc/91/08/83/987910883.db2.gz QIPSQXLMDLGGSY-IHRRRGAJSA-N 2 1 242.407 2.129 20 0 BEADMP CCCCCC[C@H](CC)[N@H+]1C[C@@H]([NH3+])C[C@H](O)C1 ZINC001246542441 987910889 /nfs/dbraw/zinc/91/08/89/987910889.db2.gz QIPSQXLMDLGGSY-IHRRRGAJSA-N 2 1 242.407 2.129 20 0 BEADMP CCCCC[C@H](CCC)[N@@H+]1C[C@H]([NH3+])C[C@@H](O)C1 ZINC001246541591 987913898 /nfs/dbraw/zinc/91/38/98/987913898.db2.gz OYPKEPAQTSKJAV-HZSPNIEDSA-N 2 1 242.407 2.129 20 0 BEADMP CCCCC[C@H](CCC)[N@H+]1C[C@H]([NH3+])C[C@@H](O)C1 ZINC001246541591 987913902 /nfs/dbraw/zinc/91/39/02/987913902.db2.gz OYPKEPAQTSKJAV-HZSPNIEDSA-N 2 1 242.407 2.129 20 0 BEADMP C[C@H](Cc1ccco1)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246548164 987932984 /nfs/dbraw/zinc/93/29/84/987932984.db2.gz RSVGVOZYGDUSGC-TUAOUCFPSA-N 2 1 222.332 2.022 20 0 BEADMP C[C@H](Cc1ccco1)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246548164 987933002 /nfs/dbraw/zinc/93/30/02/987933002.db2.gz RSVGVOZYGDUSGC-TUAOUCFPSA-N 2 1 222.332 2.022 20 0 BEADMP CCOCC[C@@H](C)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246547998 987936446 /nfs/dbraw/zinc/93/64/46/987936446.db2.gz DXPWUPNHGZJTIH-CHWSQXEVSA-N 2 1 228.380 2.005 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001246549964 987941722 /nfs/dbraw/zinc/94/17/22/987941722.db2.gz LAQBWAJWQVJKGT-XDQVBPFNSA-N 2 1 236.403 2.352 20 0 BEADMP C[C@@H](CC1CC1)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246552844 987955008 /nfs/dbraw/zinc/95/50/08/987955008.db2.gz VVDUYNXMIGZXFI-AAEUAGOBSA-N 2 1 228.355 2.328 20 0 BEADMP CCC[C@@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246553600 987957989 /nfs/dbraw/zinc/95/79/89/987957989.db2.gz ZKEOBOMTQCNKBM-NEPJUHHUSA-N 2 1 216.344 2.328 20 0 BEADMP CCSC[C@H](C)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246556421 987969789 /nfs/dbraw/zinc/96/97/89/987969789.db2.gz ZRJCJXVVEBJJOO-NWDGAFQWSA-N 2 1 230.421 2.331 20 0 BEADMP Cc1cc(N[C@@H]2CCCC[C@@H]2[NH+](C)C)nc(C)[nH+]1 ZINC001321708406 987973829 /nfs/dbraw/zinc/97/38/29/987973829.db2.gz SVYSYVUUBFUPFR-OLZOCXBDSA-N 2 1 248.374 2.378 20 0 BEADMP CCOCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246557350 987976137 /nfs/dbraw/zinc/97/61/37/987976137.db2.gz KQYSUULNKBPTPX-HZSPNIEDSA-N 2 1 242.407 2.108 20 0 BEADMP CSCC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246559540 987982643 /nfs/dbraw/zinc/98/26/43/987982643.db2.gz BFLYFGWCWZSRHI-FRRDWIJNSA-N 2 1 244.448 2.435 20 0 BEADMP CCc1cccc(F)c1C[NH2+]CC[C@@H](C)[NH2+]C ZINC001118019147 987985448 /nfs/dbraw/zinc/98/54/48/987985448.db2.gz ODEBHXOGZWUMMM-LLVKDONJSA-N 2 1 238.350 2.476 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)C1 ZINC001246561457 987990919 /nfs/dbraw/zinc/99/09/19/987990919.db2.gz SUMGDYFFCQGTCT-RQJABVFESA-N 2 1 224.392 2.482 20 0 BEADMP CCSC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246563596 988008620 /nfs/dbraw/zinc/00/86/20/988008620.db2.gz RZQZVGUMTJUMJC-FRRDWIJNSA-N 2 1 244.448 2.435 20 0 BEADMP C[C@H]1CC[N@H+](C2CC[NH2+]CC2)CCC1(F)F ZINC001246563000 988008735 /nfs/dbraw/zinc/00/87/35/988008735.db2.gz BXVLVDZXORPUQI-JTQLQIEISA-N 2 1 232.318 2.106 20 0 BEADMP C[C@@H]1C[N@H+](C2CCSCC2)CCC[C@H]1C[NH3+] ZINC001246564951 988012067 /nfs/dbraw/zinc/01/20/67/988012067.db2.gz GWVNVMNDNQAXHU-NEPJUHHUSA-N 2 1 242.432 2.189 20 0 BEADMP C[C@@H]1CC[N@H+]([C@H]2CCCSC2)CC[C@H]1C[NH3+] ZINC001246564763 988022184 /nfs/dbraw/zinc/02/21/84/988022184.db2.gz ZVISTNWUKMFYAQ-AGIUHOORSA-N 2 1 242.432 2.189 20 0 BEADMP Cc1cccc2c1C[N@@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246566666 988032435 /nfs/dbraw/zinc/03/24/35/988032435.db2.gz IPSNYJRUCORMBQ-TZMCWYRMSA-N 2 1 230.355 2.451 20 0 BEADMP C[C@H](Cc1ccco1)[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246568182 988041683 /nfs/dbraw/zinc/04/16/83/988041683.db2.gz MGSCWYQNSVBJFA-UPJWGTAASA-N 2 1 236.359 2.270 20 0 BEADMP C[C@H](Cc1ccco1)[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246568182 988041698 /nfs/dbraw/zinc/04/16/98/988041698.db2.gz MGSCWYQNSVBJFA-UPJWGTAASA-N 2 1 236.359 2.270 20 0 BEADMP C[C@]1(F)CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246570959 988052147 /nfs/dbraw/zinc/05/21/47/988052147.db2.gz BYQFCCHESVNQIN-HNGCFSAESA-N 2 1 226.339 2.093 20 0 BEADMP C[C@]1(F)CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246570959 988052168 /nfs/dbraw/zinc/05/21/68/988052168.db2.gz BYQFCCHESVNQIN-HNGCFSAESA-N 2 1 226.339 2.093 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C)[C@@H](C)C2)CC[NH2+]1 ZINC001246578157 988091253 /nfs/dbraw/zinc/09/12/53/988091253.db2.gz YJQMPHGCOLYBLB-XJFOESAGSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)CCO1 ZINC001246579849 988100689 /nfs/dbraw/zinc/10/06/89/988100689.db2.gz LTSHHWBNKMLITL-MJBXVCDLSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@]1(C[NH3+])CCCC[N@H+](C2CCSCC2)C1 ZINC001246579706 988103855 /nfs/dbraw/zinc/10/38/55/988103855.db2.gz GPLRYBNYTMVHLH-CYBMUJFWSA-N 2 1 242.432 2.333 20 0 BEADMP C[C@@H]1CCC[C@H]([N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)C1 ZINC001246589508 988157831 /nfs/dbraw/zinc/15/78/31/988157831.db2.gz SFWYWCVMCRFTGR-XQHKEYJVSA-N 2 1 228.355 2.326 20 0 BEADMP C[C@@H]1CCC[C@H]([N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)C1 ZINC001246589508 988157837 /nfs/dbraw/zinc/15/78/37/988157837.db2.gz SFWYWCVMCRFTGR-XQHKEYJVSA-N 2 1 228.355 2.326 20 0 BEADMP CC1CCC([N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001246594589 988182630 /nfs/dbraw/zinc/18/26/30/988182630.db2.gz XBLGPJXENCJJDT-FIYWTHMPSA-N 2 1 228.355 2.326 20 0 BEADMP CC1CCC([N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001246594589 988182643 /nfs/dbraw/zinc/18/26/43/988182643.db2.gz XBLGPJXENCJJDT-FIYWTHMPSA-N 2 1 228.355 2.326 20 0 BEADMP CCC[C@H](CC)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246595235 988190206 /nfs/dbraw/zinc/19/02/06/988190206.db2.gz XYTCYYQWSOLNHJ-SDDRHHMPSA-N 2 1 216.344 2.326 20 0 BEADMP CCC[C@H](CC)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246595235 988190187 /nfs/dbraw/zinc/19/01/87/988190187.db2.gz XYTCYYQWSOLNHJ-SDDRHHMPSA-N 2 1 216.344 2.326 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](C2CCCCCC2)CC[C@@H]1F ZINC001246596117 988193176 /nfs/dbraw/zinc/19/31/76/988193176.db2.gz ZGIMYVYSXZMMQG-QWHCGFSZSA-N 2 1 228.355 2.470 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](C2CCCCCC2)CC[C@@H]1F ZINC001246596117 988193191 /nfs/dbraw/zinc/19/31/91/988193191.db2.gz ZGIMYVYSXZMMQG-QWHCGFSZSA-N 2 1 228.355 2.470 20 0 BEADMP C[C@@H](CC1CC1)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246613395 988238328 /nfs/dbraw/zinc/23/83/28/988238328.db2.gz YWYDPKQYAJYZID-GXTWGEPZSA-N 2 1 222.376 2.393 20 0 BEADMP CC[C@H](C[C@@H](C)CC)[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001246631534 988303507 /nfs/dbraw/zinc/30/35/07/988303507.db2.gz QHWNROSGGDKQJX-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H](C)C[C@@H](CC)[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246629709 988304335 /nfs/dbraw/zinc/30/43/35/988304335.db2.gz HIHLROHSUAAXBN-XJFOESAGSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H](C)C[C@@H](CC)[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246629709 988304355 /nfs/dbraw/zinc/30/43/55/988304355.db2.gz HIHLROHSUAAXBN-XJFOESAGSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H](C)C[C@H](CC)[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001246631533 988306458 /nfs/dbraw/zinc/30/64/58/988306458.db2.gz QHWNROSGGDKQJX-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246629747 988311227 /nfs/dbraw/zinc/31/12/27/988311227.db2.gz GEGGVJOEUIMRKL-OWCLPIDISA-N 2 1 244.382 2.444 20 0 BEADMP CC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246629747 988311241 /nfs/dbraw/zinc/31/12/41/988311241.db2.gz GEGGVJOEUIMRKL-OWCLPIDISA-N 2 1 244.382 2.444 20 0 BEADMP CC[C@H](CC(C)C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246635133 988324696 /nfs/dbraw/zinc/32/46/96/988324696.db2.gz BSZFQDLWTPNLJJ-JHJVBQTASA-N 2 1 210.365 2.247 20 0 BEADMP C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)C[NH2+]1 ZINC001246640475 988338269 /nfs/dbraw/zinc/33/82/69/988338269.db2.gz UONSFSKAHKTOKM-NNYUYHANSA-N 2 1 244.329 2.104 20 0 BEADMP CCC[C@@H](C)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246641305 988348187 /nfs/dbraw/zinc/34/81/87/988348187.db2.gz DHVWQVWJONFZMG-OLZOCXBDSA-N 2 1 210.365 2.393 20 0 BEADMP C[C@H](CC1CC1)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246640757 988352136 /nfs/dbraw/zinc/35/21/36/988352136.db2.gz CEZCTYCLBNGAET-TZMCWYRMSA-N 2 1 222.376 2.393 20 0 BEADMP CC[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246644305 988355860 /nfs/dbraw/zinc/35/58/60/988355860.db2.gz SBRGLLAOYXLWIT-MROQNXINSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]32)C[C@@H]1C ZINC001246644880 988356089 /nfs/dbraw/zinc/35/60/89/988356089.db2.gz JKVJDJFCXRXNMX-MBJXGIAVSA-N 2 1 222.376 2.105 20 0 BEADMP CCCC1CCC([N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246645481 988365479 /nfs/dbraw/zinc/36/54/79/988365479.db2.gz NEDXCFMCFPPMGR-YIOUJQMASA-N 2 1 222.376 2.378 20 0 BEADMP CCCC1CCC([N@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246645481 988365486 /nfs/dbraw/zinc/36/54/86/988365486.db2.gz NEDXCFMCFPPMGR-YIOUJQMASA-N 2 1 222.376 2.378 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2CC3(CC3(F)F)C2)CC[N@@H+]1C ZINC001118491995 988378355 /nfs/dbraw/zinc/37/83/55/988378355.db2.gz MBRKIYGXANVJSY-QYNFOATHSA-N 2 1 244.329 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2CC3(CC3(F)F)C2)CC[N@H+]1C ZINC001118491995 988378373 /nfs/dbraw/zinc/37/83/73/988378373.db2.gz MBRKIYGXANVJSY-QYNFOATHSA-N 2 1 244.329 2.247 20 0 BEADMP CC1(C)CCC([N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001246654112 988378546 /nfs/dbraw/zinc/37/85/46/988378546.db2.gz UJGSUBGZPRQSQY-WCQYABFASA-N 2 1 222.376 2.249 20 0 BEADMP CC[C@@H](Cc1ccccc1)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246654337 988378890 /nfs/dbraw/zinc/37/88/90/988378890.db2.gz KARGKMPFJVUQKI-HRCADAONSA-N 2 1 244.382 2.431 20 0 BEADMP C1C[C@H]2C[N@H+](C3CCCCCCC3)C[C@H]2[NH2+]1 ZINC001246652162 988381445 /nfs/dbraw/zinc/38/14/45/988381445.db2.gz NXKOQECLXIKXLJ-GXTWGEPZSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@@H]1CCC[C@@H]([N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)C1 ZINC001246659260 988391199 /nfs/dbraw/zinc/39/11/99/988391199.db2.gz RIICSFOYHHYGEM-SYQHCUMBSA-N 2 1 222.376 2.249 20 0 BEADMP Cc1ccc(C[C@@H](C)[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001246663014 988396804 /nfs/dbraw/zinc/39/68/04/988396804.db2.gz WRGWQDQJPZEPLB-VNQPRFMTSA-N 2 1 244.382 2.349 20 0 BEADMP Cc1ccc(C[C@@H](C)[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001246663014 988396817 /nfs/dbraw/zinc/39/68/17/988396817.db2.gz WRGWQDQJPZEPLB-VNQPRFMTSA-N 2 1 244.382 2.349 20 0 BEADMP CC[C@@H](C)C[C@@H](CC)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246665551 988405335 /nfs/dbraw/zinc/40/53/35/988405335.db2.gz QOEXGGLBJOXHEE-AAVRWANBSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H](C)C[C@@H](CC)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246665551 988405342 /nfs/dbraw/zinc/40/53/42/988405342.db2.gz QOEXGGLBJOXHEE-AAVRWANBSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H](C)C[C@H](CC)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246665558 988406558 /nfs/dbraw/zinc/40/65/58/988406558.db2.gz QOEXGGLBJOXHEE-YIYPIFLZSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H](C)C[C@H](CC)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246665558 988406566 /nfs/dbraw/zinc/40/65/66/988406566.db2.gz QOEXGGLBJOXHEE-YIYPIFLZSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CC[NH2+]C[C@H]32)CC(C)(C)C1 ZINC001246666983 988412324 /nfs/dbraw/zinc/41/23/24/988412324.db2.gz WPTVHIXJEFJZDV-AAVRWANBSA-N 2 1 236.403 2.495 20 0 BEADMP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001246678697 988424103 /nfs/dbraw/zinc/42/41/03/988424103.db2.gz YHNIMPGABQSGSR-XDQVBPFNSA-N 2 1 224.392 2.495 20 0 BEADMP CCCC[N@@H+](CCC)[C@@H](C)CC[NH2+]C ZINC001246773956 988457008 /nfs/dbraw/zinc/45/70/08/988457008.db2.gz DLJNWFRNIVMSQM-LBPRGKRZSA-N 2 1 200.370 2.497 20 0 BEADMP CCc1cc(NC[C@H]2CCC[N@H+](CC)C2)cc[nH+]1 ZINC001118579327 988463075 /nfs/dbraw/zinc/46/30/75/988463075.db2.gz DTKDJSRWFKLBQB-CYBMUJFWSA-N 2 1 247.386 2.210 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2ccccn2)CC[NH2+]1 ZINC001246786828 988470268 /nfs/dbraw/zinc/47/02/68/988470268.db2.gz AIIFANYEGHNOCQ-IPYPFGDCSA-N 2 1 245.370 2.359 20 0 BEADMP CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001246822523 988512585 /nfs/dbraw/zinc/51/25/85/988512585.db2.gz BKPBOBWWVZKDJI-MCIONIFRSA-N 2 1 242.407 2.107 20 0 BEADMP CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001246822523 988512594 /nfs/dbraw/zinc/51/25/94/988512594.db2.gz BKPBOBWWVZKDJI-MCIONIFRSA-N 2 1 242.407 2.107 20 0 BEADMP CC[C@H](CC(C)C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001246842844 988546434 /nfs/dbraw/zinc/54/64/34/988546434.db2.gz DZLBQQYOQMZFTN-BFHYXJOUSA-N 2 1 224.392 2.352 20 0 BEADMP COc1ccccc1[C@@H](C)[N@H+](C)C1CC[NH2+]CC1 ZINC001246841188 988547972 /nfs/dbraw/zinc/54/79/72/988547972.db2.gz UQWFSQFVBKQNES-GFCCVEGCSA-N 2 1 248.370 2.440 20 0 BEADMP COc1ccccc1[C@@H](C)[N@@H+](C)C1CC[NH2+]CC1 ZINC001246841188 988547980 /nfs/dbraw/zinc/54/79/80/988547980.db2.gz UQWFSQFVBKQNES-GFCCVEGCSA-N 2 1 248.370 2.440 20 0 BEADMP CC[C@H](CC(C)C)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001246842845 988550649 /nfs/dbraw/zinc/55/06/49/988550649.db2.gz DZLBQQYOQMZFTN-HZSPNIEDSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+]2CCCCC23CC3)CC[NH2+]1 ZINC001246845108 988559611 /nfs/dbraw/zinc/55/96/11/988559611.db2.gz KSDVLFYGGKZTOB-NEPJUHHUSA-N 2 1 208.349 2.145 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCCCC23CC3)CC[NH2+]1 ZINC001246845108 988559620 /nfs/dbraw/zinc/55/96/20/988559620.db2.gz KSDVLFYGGKZTOB-NEPJUHHUSA-N 2 1 208.349 2.145 20 0 BEADMP CC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246851719 988573333 /nfs/dbraw/zinc/57/33/33/988573333.db2.gz GSXIIWDIUCXZFA-ARFHVFGLSA-N 2 1 244.382 2.431 20 0 BEADMP CC1(C)CCC[C@H]([N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)C1 ZINC001246857030 988579263 /nfs/dbraw/zinc/57/92/63/988579263.db2.gz ZBAXGEYHZXYKBB-MBNYWOFBSA-N 2 1 222.376 2.378 20 0 BEADMP C[C@H](Cc1ccc(F)cc1)[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246857592 988585491 /nfs/dbraw/zinc/58/54/91/988585491.db2.gz BAIXJBDZWBMPOP-KYOSRNDESA-N 2 1 248.345 2.180 20 0 BEADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246857592 988585509 /nfs/dbraw/zinc/58/55/09/988585509.db2.gz BAIXJBDZWBMPOP-KYOSRNDESA-N 2 1 248.345 2.180 20 0 BEADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](C1CCC3(CC3)CC1)C2 ZINC001246859340 988587641 /nfs/dbraw/zinc/58/76/41/988587641.db2.gz JWNDMUDRULCZPO-BXUZGUMPSA-N 2 1 220.360 2.132 20 0 BEADMP CCCC[C@H](CC)[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246863995 988614293 /nfs/dbraw/zinc/61/42/93/988614293.db2.gz STXCJZAOWKDXBZ-FRRDWIJNSA-N 2 1 210.365 2.378 20 0 BEADMP Cc1ccc(CC[C@H](C)[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001246865473 988618173 /nfs/dbraw/zinc/61/81/73/988618173.db2.gz CLLGPCTZLTZTSU-NUEKZKHPSA-N 2 1 244.382 2.349 20 0 BEADMP Cc1ccc(CC[C@H](C)[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001246865473 988618178 /nfs/dbraw/zinc/61/81/78/988618178.db2.gz CLLGPCTZLTZTSU-NUEKZKHPSA-N 2 1 244.382 2.349 20 0 BEADMP CCCC1CCC([N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246869661 988628681 /nfs/dbraw/zinc/62/86/81/988628681.db2.gz NEDXCFMCFPPMGR-FKZOYECMSA-N 2 1 222.376 2.378 20 0 BEADMP CCCC1CCC([N@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246869661 988628695 /nfs/dbraw/zinc/62/86/95/988628695.db2.gz NEDXCFMCFPPMGR-FKZOYECMSA-N 2 1 222.376 2.378 20 0 BEADMP C[N@@H+](CC/C=C/c1cccnc1)C1CC[NH2+]CC1 ZINC001246881162 988649277 /nfs/dbraw/zinc/64/92/77/988649277.db2.gz YGGODFQXOIRQEF-GORDUTHDSA-N 2 1 245.370 2.169 20 0 BEADMP C[C@H]1C[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C2(CC2)C1 ZINC001246895949 988670023 /nfs/dbraw/zinc/67/00/23/988670023.db2.gz RKWFQJWLQWPNCK-IJLUTSLNSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C2(CC2)C1 ZINC001246897930 988671092 /nfs/dbraw/zinc/67/10/92/988671092.db2.gz WOCNTFMVVPZHRR-FKJOKYEKSA-N 2 1 220.360 2.144 20 0 BEADMP CCCC[C@@H](C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246929341 988751910 /nfs/dbraw/zinc/75/19/10/988751910.db2.gz FHANOZZIZYYEHX-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP CCCC[C@H](C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246929342 988754453 /nfs/dbraw/zinc/75/44/53/988754453.db2.gz FHANOZZIZYYEHX-MELADBBJSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[C@H](C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246936751 988768895 /nfs/dbraw/zinc/76/88/95/988768895.db2.gz XAFFUMJKPHXISK-RWMBFGLXSA-N 2 1 210.365 2.106 20 0 BEADMP CCCC[C@@H](CCC)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246946816 988783425 /nfs/dbraw/zinc/78/34/25/988783425.db2.gz HVFDKURMROLXKI-MQYQWHSLSA-N 2 1 224.392 2.495 20 0 BEADMP CCCCC[C@H](CC)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246948968 988789111 /nfs/dbraw/zinc/78/91/11/988789111.db2.gz QZBQLRSJQCSGPA-IGQOVBAYSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](N)C[N@@H+](C)[C@@H](C)CCC[NH+](CC)CC ZINC001246974758 988804545 /nfs/dbraw/zinc/80/45/45/988804545.db2.gz QUIUSHAUDDJGIM-KBPBESRZSA-N 2 1 243.439 2.166 20 0 BEADMP CC[C@H]([NH3+])CN(C)[C@@H](C)CCC[NH+](CC)CC ZINC001246974758 988804552 /nfs/dbraw/zinc/80/45/52/988804552.db2.gz QUIUSHAUDDJGIM-KBPBESRZSA-N 2 1 243.439 2.166 20 0 BEADMP CC(C)[N@@H+](C1CCOCC1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246985034 988815842 /nfs/dbraw/zinc/81/58/42/988815842.db2.gz ORVSEZFBDKAZBN-OCCSQVGLSA-N 2 1 240.391 2.016 20 0 BEADMP CCCCC[C@@H](CC)[N@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246988936 988820861 /nfs/dbraw/zinc/82/08/61/988820861.db2.gz KWCPVCGPCPMGRN-OLZOCXBDSA-N 2 1 240.391 2.005 20 0 BEADMP CCCCC[C@@H](CC)[N@@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246988936 988820859 /nfs/dbraw/zinc/82/08/59/988820859.db2.gz KWCPVCGPCPMGRN-OLZOCXBDSA-N 2 1 240.391 2.005 20 0 BEADMP C[NH2+]CC[C@@H](C)[N@@H+](C)[C@H]1CC[C@H](C)CC1 ZINC001247003606 988837118 /nfs/dbraw/zinc/83/71/18/988837118.db2.gz MXHAIUGQRLFYNB-JHJVBQTASA-N 2 1 212.381 2.495 20 0 BEADMP CSCC[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247006524 988837482 /nfs/dbraw/zinc/83/74/82/988837482.db2.gz ADJQPBNDRHPMFW-RWMBFGLXSA-N 2 1 242.432 2.202 20 0 BEADMP CSCC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247006524 988837490 /nfs/dbraw/zinc/83/74/90/988837490.db2.gz ADJQPBNDRHPMFW-RWMBFGLXSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CCC[C@]1(C)c1ccccc1 ZINC001119347949 988993909 /nfs/dbraw/zinc/99/39/09/988993909.db2.gz UAUSQICEFMZEQO-GXTWGEPZSA-N 2 1 218.344 2.345 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CCC[C@@]1(C)c1ccccc1 ZINC001119347950 988994199 /nfs/dbraw/zinc/99/41/99/988994199.db2.gz UAUSQICEFMZEQO-JSGCOSHPSA-N 2 1 218.344 2.345 20 0 BEADMP CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001326194980 989414683 /nfs/dbraw/zinc/41/46/83/989414683.db2.gz RESQDTMUKBUGGD-MROQNXINSA-N 2 1 242.432 2.343 20 0 BEADMP C[N@@H+](Cc1cc(F)cc(F)c1)C[C@@H]1CC[NH2+]C1 ZINC001326276942 989459057 /nfs/dbraw/zinc/45/90/57/989459057.db2.gz FWJYCJWXUMYNDK-SNVBAGLBSA-N 2 1 240.297 2.006 20 0 BEADMP C[N@H+](Cc1cc(F)cc(F)c1)C[C@@H]1CC[NH2+]C1 ZINC001326276942 989459072 /nfs/dbraw/zinc/45/90/72/989459072.db2.gz FWJYCJWXUMYNDK-SNVBAGLBSA-N 2 1 240.297 2.006 20 0 BEADMP C[N@H+](Cc1cc(F)cc(F)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC001120269569 989624168 /nfs/dbraw/zinc/62/41/68/989624168.db2.gz TZJUHHYWXWQBSY-GSJFWJNXSA-N 2 1 240.297 2.134 20 0 BEADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2cc[nH+]cc2)C1 ZINC001120860871 989931139 /nfs/dbraw/zinc/93/11/39/989931139.db2.gz UVVNCXLHLGVRCM-GXTWGEPZSA-N 2 1 231.343 2.002 20 0 BEADMP C[N@H+]1CC[C@H]2[C@H](CCCN2c2cc[nH+]cc2)C1 ZINC001120860873 989931221 /nfs/dbraw/zinc/93/12/21/989931221.db2.gz UVVNCXLHLGVRCM-OCCSQVGLSA-N 2 1 231.343 2.002 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cccc(F)c3)[C@@H]2C1 ZINC001308554300 991036796 /nfs/dbraw/zinc/03/67/96/991036796.db2.gz NVQJHFJYTGZLGU-CFVMTHIKSA-N 2 1 248.345 2.256 20 0 BEADMP C[C@@H](Cc1ccco1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001258176202 991073315 /nfs/dbraw/zinc/07/33/15/991073315.db2.gz MRJOUFIMPYYTRA-FQUUOJAGSA-N 2 1 248.370 2.425 20 0 BEADMP CC(C)[N@@H+](CCC[NH3+])[C@H](C)Cc1ccco1 ZINC001258176454 991075281 /nfs/dbraw/zinc/07/52/81/991075281.db2.gz VYEADXLWBIEPHD-GFCCVEGCSA-N 2 1 224.348 2.270 20 0 BEADMP C[C@H](Cc1ccco1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258194861 991105187 /nfs/dbraw/zinc/10/51/87/991105187.db2.gz LRTNSWINLFIYFC-HIFRSBDPSA-N 2 1 248.370 2.238 20 0 BEADMP C[C@H](Cc1ccco1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001258194861 991105199 /nfs/dbraw/zinc/10/51/99/991105199.db2.gz LRTNSWINLFIYFC-HIFRSBDPSA-N 2 1 248.370 2.238 20 0 BEADMP C[C@H](Cc1ccco1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001258194861 991105205 /nfs/dbraw/zinc/10/52/05/991105205.db2.gz LRTNSWINLFIYFC-HIFRSBDPSA-N 2 1 248.370 2.238 20 0 BEADMP C[C@@H](Cc1ccco1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001258194858 991107787 /nfs/dbraw/zinc/10/77/87/991107787.db2.gz LRTNSWINLFIYFC-DZGCQCFKSA-N 2 1 248.370 2.238 20 0 BEADMP C[C@@H](Cc1ccco1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001258194858 991107795 /nfs/dbraw/zinc/10/77/95/991107795.db2.gz LRTNSWINLFIYFC-DZGCQCFKSA-N 2 1 248.370 2.238 20 0 BEADMP C[C@@H](Cc1ccco1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001258194858 991107804 /nfs/dbraw/zinc/10/78/04/991107804.db2.gz LRTNSWINLFIYFC-DZGCQCFKSA-N 2 1 248.370 2.238 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@H](C)CCSC ZINC001258200852 991118654 /nfs/dbraw/zinc/11/86/54/991118654.db2.gz XSRXJXOSJVKQJS-LLVKDONJSA-N 2 1 218.410 2.189 20 0 BEADMP CSCC[C@H](C)n1c(C)c[nH+]c1CC[NH3+] ZINC001258200656 991117282 /nfs/dbraw/zinc/11/72/82/991117282.db2.gz VKPAJQPVIPOTFD-VIFPVBQESA-N 2 1 227.377 2.007 20 0 BEADMP CSCC[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001258226765 991158659 /nfs/dbraw/zinc/15/86/59/991158659.db2.gz RHHBGBGAQLLMOE-QWHCGFSZSA-N 2 1 242.432 2.156 20 0 BEADMP CSCC[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001258226765 991158667 /nfs/dbraw/zinc/15/86/67/991158667.db2.gz RHHBGBGAQLLMOE-QWHCGFSZSA-N 2 1 242.432 2.156 20 0 BEADMP CSCC[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001258226765 991158682 /nfs/dbraw/zinc/15/86/82/991158682.db2.gz RHHBGBGAQLLMOE-QWHCGFSZSA-N 2 1 242.432 2.156 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001560043056 991364653 /nfs/dbraw/zinc/36/46/53/991364653.db2.gz LEEZMBJVCUZDHY-SEBNEYGDSA-N 2 1 236.403 2.305 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001560043056 991364663 /nfs/dbraw/zinc/36/46/63/991364663.db2.gz LEEZMBJVCUZDHY-SEBNEYGDSA-N 2 1 236.403 2.305 20 0 BEADMP C[C@H]1CCCC[C@@H]1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001560043057 991367202 /nfs/dbraw/zinc/36/72/02/991367202.db2.gz LEEZMBJVCUZDHY-XPABHHOTSA-N 2 1 236.403 2.305 20 0 BEADMP C[C@H]1CCCC[C@@H]1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001560043057 991367208 /nfs/dbraw/zinc/36/72/08/991367208.db2.gz LEEZMBJVCUZDHY-XPABHHOTSA-N 2 1 236.403 2.305 20 0 BEADMP CC/C=C\CC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001560186462 991405080 /nfs/dbraw/zinc/40/50/80/991405080.db2.gz GXAYAEISPKGERA-QJTIAFMVSA-N 2 1 222.376 2.226 20 0 BEADMP CC/C=C\CC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001560186462 991405087 /nfs/dbraw/zinc/40/50/87/991405087.db2.gz GXAYAEISPKGERA-QJTIAFMVSA-N 2 1 222.376 2.226 20 0 BEADMP CC/C=C\CC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001560186462 991405089 /nfs/dbraw/zinc/40/50/89/991405089.db2.gz GXAYAEISPKGERA-QJTIAFMVSA-N 2 1 222.376 2.226 20 0 BEADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CCC(C)(C)C1 ZINC001258593001 991492265 /nfs/dbraw/zinc/49/22/65/991492265.db2.gz IUKWBTMACCFXCF-LLVKDONJSA-N 2 1 221.348 2.444 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(F)cc3)[C@H]2C1 ZINC001560623369 991525411 /nfs/dbraw/zinc/52/54/11/991525411.db2.gz VGELHERJRJSIJZ-QEJZJMRPSA-N 2 1 248.345 2.256 20 0 BEADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@H](N)C1 ZINC001258648997 991582531 /nfs/dbraw/zinc/58/25/31/991582531.db2.gz ATTBYRYHCAQSLZ-GJZGRUSLSA-N 2 1 232.371 2.431 20 0 BEADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@H]([NH3+])C1 ZINC001258648997 991582558 /nfs/dbraw/zinc/58/25/58/991582558.db2.gz ATTBYRYHCAQSLZ-GJZGRUSLSA-N 2 1 232.371 2.431 20 0 BEADMP CC(C)SCC[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC001560813848 991611484 /nfs/dbraw/zinc/61/14/84/991611484.db2.gz JGXUBXZZTIPUBU-OLZOCXBDSA-N 2 1 244.448 2.400 20 0 BEADMP CC(C)SCC[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC001560813848 991611488 /nfs/dbraw/zinc/61/14/88/991611488.db2.gz JGXUBXZZTIPUBU-OLZOCXBDSA-N 2 1 244.448 2.400 20 0 BEADMP CC(C)SCC[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC001560813848 991611492 /nfs/dbraw/zinc/61/14/92/991611492.db2.gz JGXUBXZZTIPUBU-OLZOCXBDSA-N 2 1 244.448 2.400 20 0 BEADMP CC(C)SCC[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC001560813848 991611517 /nfs/dbraw/zinc/61/15/17/991611517.db2.gz JGXUBXZZTIPUBU-OLZOCXBDSA-N 2 1 244.448 2.400 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CCS[C@H](C)C2)CC1 ZINC001560980058 991676157 /nfs/dbraw/zinc/67/61/57/991676157.db2.gz XBMGFGSMVBFVNI-GFCCVEGCSA-N 2 1 242.432 2.156 20 0 BEADMP CCC[NH+]1CCC([N@@H+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC001258775297 991736150 /nfs/dbraw/zinc/73/61/50/991736150.db2.gz IYIJVPKGGWQWRG-GXTWGEPZSA-N 2 1 222.376 2.345 20 0 BEADMP CCC[NH+]1CCC([N@H+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC001258775297 991736156 /nfs/dbraw/zinc/73/61/56/991736156.db2.gz IYIJVPKGGWQWRG-GXTWGEPZSA-N 2 1 222.376 2.345 20 0 BEADMP C[C@H]1CCC[C@@H]([N@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001258828077 991854484 /nfs/dbraw/zinc/85/44/84/991854484.db2.gz YPLXDCFAYAHLJM-QWHCGFSZSA-N 2 1 233.359 2.320 20 0 BEADMP C[C@H]1CCC[C@@H]([N@@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001258828077 991854487 /nfs/dbraw/zinc/85/44/87/991854487.db2.gz YPLXDCFAYAHLJM-QWHCGFSZSA-N 2 1 233.359 2.320 20 0 BEADMP CS[C@H]1CC[C@H]([N@@H+](C)CCn2ccnc2)C1 ZINC001319441770 991869283 /nfs/dbraw/zinc/86/92/83/991869283.db2.gz CSCLBPBDZVKHHN-RYUDHWBXSA-N 2 1 239.388 2.099 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CC1(F)F ZINC001258896994 991892651 /nfs/dbraw/zinc/89/26/51/991892651.db2.gz BKHPCIYVKISNFE-MNOVXSKESA-N 2 1 234.334 2.494 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCOC[C@@H]1C ZINC001258907279 991894991 /nfs/dbraw/zinc/89/49/91/991894991.db2.gz HKWMHHKAZLQWMS-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)CCOC ZINC001258906830 991896625 /nfs/dbraw/zinc/89/66/25/991896625.db2.gz BANLLIDKBKHZSN-CYBMUJFWSA-N 2 1 230.396 2.075 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@@H]1CCCc2cccnc21 ZINC001261424503 992294314 /nfs/dbraw/zinc/29/43/14/992294314.db2.gz WBDITYFJMGRDEC-WCQYABFASA-N 2 1 233.359 2.047 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC001261424619 992294810 /nfs/dbraw/zinc/29/48/10/992294810.db2.gz ZETOSAOIVUJHDW-VHSXEESVSA-N 2 1 241.766 2.384 20 0 BEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ncccc2C)C1 ZINC001320843132 992378197 /nfs/dbraw/zinc/37/81/97/992378197.db2.gz NNTDFUYGUUBOBJ-CQSZACIVSA-N 2 1 247.386 2.212 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ncccc2C)C1 ZINC001320843132 992378206 /nfs/dbraw/zinc/37/82/06/992378206.db2.gz NNTDFUYGUUBOBJ-CQSZACIVSA-N 2 1 247.386 2.212 20 0 BEADMP CC(C)C1CC([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC001474757406 992524936 /nfs/dbraw/zinc/52/49/36/992524936.db2.gz VSLRNXZGWWHELY-HTXSYXIBSA-N 2 1 236.403 2.351 20 0 BEADMP C[C@]1([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC[NH2+]C1 ZINC001573626308 992654103 /nfs/dbraw/zinc/65/41/03/992654103.db2.gz OQWNCBFJBIYVRM-KKUMJFAQSA-N 2 1 230.355 2.132 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCC(F)F)[C@H](C)C1 ZINC001262160373 992721777 /nfs/dbraw/zinc/72/17/77/992721777.db2.gz CMQJDTGLAYGOSD-GHMZBOCLSA-N 2 1 234.334 2.352 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCCC(F)F)[C@@H](C)C1 ZINC001262160375 992724381 /nfs/dbraw/zinc/72/43/81/992724381.db2.gz CMQJDTGLAYGOSD-QWRGUYRKSA-N 2 1 234.334 2.352 20 0 BEADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]2C1 ZINC001262378399 992870825 /nfs/dbraw/zinc/87/08/25/992870825.db2.gz AULHWUJQRZADQH-HZSPNIEDSA-N 2 1 248.370 2.442 20 0 BEADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccco3)C[C@H]2C1 ZINC001262378398 992871745 /nfs/dbraw/zinc/87/17/45/992871745.db2.gz AULHWUJQRZADQH-BFHYXJOUSA-N 2 1 248.370 2.442 20 0 BEADMP C([N@H+]1CCCC2(CCCC2)C1)[C@]12C[C@H]1C[NH2+]C2 ZINC001574800990 992914310 /nfs/dbraw/zinc/91/43/10/992914310.db2.gz MNRVDVBYTJRKHZ-DZGCQCFKSA-N 2 1 234.387 2.252 20 0 BEADMP c1c[nH+]c([C@H]2CCCN(c3cc[nH+]cc3)C2)[nH]1 ZINC001262671563 993013493 /nfs/dbraw/zinc/01/34/93/993013493.db2.gz JZEHINVULCVBCJ-NSHDSACASA-N 2 1 228.299 2.189 20 0 BEADMP CC(C)=CC[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC001575391741 993035196 /nfs/dbraw/zinc/03/51/96/993035196.db2.gz QNWIMEKUNQIMGT-CYBMUJFWSA-N 2 1 222.376 2.417 20 0 BEADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@H](C2CCC2)C1 ZINC001575423817 993040894 /nfs/dbraw/zinc/04/08/94/993040894.db2.gz YPBYGDFYDFQJPZ-UONOGXRCSA-N 2 1 224.392 2.339 20 0 BEADMP CC(C)[C@H]1[N@@H+](CC2(C[NH3+])CCC2)CC1(C)C ZINC001575519979 993064188 /nfs/dbraw/zinc/06/41/88/993064188.db2.gz HSIOHSAZLWELKL-GFCCVEGCSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H](Cc1cccnc1)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC001576055884 993166698 /nfs/dbraw/zinc/16/66/98/993166698.db2.gz HUKGYOUKMYBSCK-KCQAQPDRSA-N 2 1 247.386 2.133 20 0 BEADMP CCCCC[C@@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC000378717140 993199846 /nfs/dbraw/zinc/19/98/46/993199846.db2.gz CRYMNTHYMZVFBE-FRRDWIJNSA-N 2 1 210.365 2.249 20 0 BEADMP CCCCC[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC000378717140 993199848 /nfs/dbraw/zinc/19/98/48/993199848.db2.gz CRYMNTHYMZVFBE-FRRDWIJNSA-N 2 1 210.365 2.249 20 0 BEADMP COc1ccc(C)cc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC000378788707 993203351 /nfs/dbraw/zinc/20/33/51/993203351.db2.gz MJYKBHDFJMFDSX-CQSZACIVSA-N 2 1 248.370 2.317 20 0 BEADMP CC(C)C([NH2+]C1CC[NH+](C)CC1)C(C)C ZINC000379838998 993285714 /nfs/dbraw/zinc/28/57/14/993285714.db2.gz GFUYDNYDSBSBMF-UHFFFAOYSA-N 2 1 212.381 2.351 20 0 BEADMP C[C@@H](CC1CC1)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000379855303 993289239 /nfs/dbraw/zinc/28/92/39/993289239.db2.gz BSZWEZJIMBIUCZ-AAEUAGOBSA-N 2 1 210.365 2.236 20 0 BEADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccsc2)C1 ZINC000379908978 993292534 /nfs/dbraw/zinc/29/25/34/993292534.db2.gz LJSBZNFMPKHUJB-NSHDSACASA-N 2 1 224.373 2.309 20 0 BEADMP CC1(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)CCC1 ZINC001576502397 993324839 /nfs/dbraw/zinc/32/48/39/993324839.db2.gz CIINHJMKVSDBBL-NEPJUHHUSA-N 2 1 208.349 2.003 20 0 BEADMP CC1(C[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)CCC1 ZINC001576502397 993324840 /nfs/dbraw/zinc/32/48/40/993324840.db2.gz CIINHJMKVSDBBL-NEPJUHHUSA-N 2 1 208.349 2.003 20 0 BEADMP C[C@@H]1CC=CC[C@H]1[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001576671280 993388440 /nfs/dbraw/zinc/38/84/40/993388440.db2.gz WPVQXYUFPOUKFK-MROQNXINSA-N 2 1 208.349 2.071 20 0 BEADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCSC2)[C@H](C)C1 ZINC000381512974 993403058 /nfs/dbraw/zinc/40/30/58/993403058.db2.gz RQHYYBOBDONXDB-AGIUHOORSA-N 2 1 242.432 2.200 20 0 BEADMP C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC000381877406 993429423 /nfs/dbraw/zinc/42/94/23/993429423.db2.gz NMNXCDDLJRNACS-FQUUOJAGSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC000381877409 993430575 /nfs/dbraw/zinc/43/05/75/993430575.db2.gz NMNXCDDLJRNACS-YIYPIFLZSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCC[C@@H]2C=CCC2)C1 ZINC001576849834 993435368 /nfs/dbraw/zinc/43/53/68/993435368.db2.gz LEBGHUARJKHCGK-MJBXVCDLSA-N 2 1 222.376 2.320 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C/C=C\C2CC2)CC[N@H+]1C ZINC000382312861 993449046 /nfs/dbraw/zinc/44/90/46/993449046.db2.gz QPCUKPDTDLLCIG-CWBMUHOVSA-N 2 1 208.349 2.025 20 0 BEADMP CC[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC001577262528 993569183 /nfs/dbraw/zinc/56/91/83/993569183.db2.gz IPIHVMBYMIGTHE-XQQFMLRXSA-N 2 1 210.365 2.106 20 0 BEADMP CCc1ccc(C[N@@H+]2CC[NH2+]C[C@H](C)C2)s1 ZINC000385254281 993654070 /nfs/dbraw/zinc/65/40/70/993654070.db2.gz KJGSJAIFYQRXPP-NSHDSACASA-N 2 1 238.400 2.352 20 0 BEADMP CCc1ccc(C[N@H+]2CC[NH2+]C[C@H](C)C2)s1 ZINC000385254281 993654074 /nfs/dbraw/zinc/65/40/74/993654074.db2.gz KJGSJAIFYQRXPP-NSHDSACASA-N 2 1 238.400 2.352 20 0 BEADMP CC(C)CC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000390189736 993778213 /nfs/dbraw/zinc/77/82/13/993778213.db2.gz MTCKVGWQGBDUHM-IHRRRGAJSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)CC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000390189736 993778224 /nfs/dbraw/zinc/77/82/24/993778224.db2.gz MTCKVGWQGBDUHM-IHRRRGAJSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)CC[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000390189737 993780839 /nfs/dbraw/zinc/78/08/39/993780839.db2.gz MTCKVGWQGBDUHM-MELADBBJSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)CC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000390189737 993780846 /nfs/dbraw/zinc/78/08/46/993780846.db2.gz MTCKVGWQGBDUHM-MELADBBJSA-N 2 1 224.392 2.495 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+](CCOCc2ccccc2)CC1 ZINC000393230943 993912940 /nfs/dbraw/zinc/91/29/40/993912940.db2.gz FLAAVNUUZWUACW-HNNXBMFYSA-N 2 1 248.370 2.016 20 0 BEADMP FC1(F)CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000702855530 994053514 /nfs/dbraw/zinc/05/35/14/994053514.db2.gz CMCPPQVYFVODMK-FOSCPWQOSA-N 2 1 244.329 2.391 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCC[C@@H](F)C1 ZINC001332897843 994388744 /nfs/dbraw/zinc/38/87/44/994388744.db2.gz LPYNKALKDMUNLU-ZBBUEOHVSA-N 2 1 240.366 2.197 20 0 BEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C1(C)CC1 ZINC000822125228 994419418 /nfs/dbraw/zinc/41/94/18/994419418.db2.gz RYOJCQFGHWWNOL-NWDGAFQWSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C1(C)CC1 ZINC000822125229 994421542 /nfs/dbraw/zinc/42/15/42/994421542.db2.gz RYOJCQFGHWWNOL-RYUDHWBXSA-N 2 1 210.365 2.249 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1 ZINC001333599609 994483836 /nfs/dbraw/zinc/48/38/36/994483836.db2.gz XLKOYRROHFVHTG-ZFWWWQNUSA-N 2 1 232.371 2.268 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)C1 ZINC001621108269 1170716790 /nfs/dbraw/zinc/71/67/90/1170716790.db2.gz KWWHDXMPDBDEPF-NIFZNCRKSA-N 2 1 236.403 2.495 20 0 BEADMP C[N@@H+](CCCC[NH3+])CCCc1ccccc1 ZINC000036199134 1170911823 /nfs/dbraw/zinc/91/18/23/1170911823.db2.gz RLCHPTUXXCKDAX-UHFFFAOYSA-N 2 1 220.360 2.290 20 0 BEADMP C1=C(CC[NH2+][C@H]2CCC[NH2+]C2)CCCC1 ZINC000043324438 1171280158 /nfs/dbraw/zinc/28/01/58/1171280158.db2.gz DBGAZDJDQQFRPV-ZDUSSCGKSA-N 2 1 208.349 2.219 20 0 BEADMP CCCC[C@H](CC)C[N@@H+](C)CCC[NH3+] ZINC000043454489 1171287720 /nfs/dbraw/zinc/28/77/20/1171287720.db2.gz HXASIGVEWQOPLT-LBPRGKRZSA-N 2 1 200.370 2.483 20 0 BEADMP CC(C)c1[nH+]ccn1C[C@@H]1CCC[NH2+]C1 ZINC000043472131 1171293068 /nfs/dbraw/zinc/29/30/68/1171293068.db2.gz LJXNULZFPYQQRN-LLVKDONJSA-N 2 1 207.321 2.006 20 0 BEADMP C[NH2+]CC[C@@H](C)[N@@H+](C)CC1CCCCC1 ZINC000052346745 1171956966 /nfs/dbraw/zinc/95/69/66/1171956966.db2.gz SQWUMYCYNZMVLN-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](C)C[C@H]1C ZINC000548918498 398138875 /nfs/dbraw/zinc/13/88/75/398138875.db2.gz AWNOTSNGIQMCNR-QWHCGFSZSA-N 2 1 212.381 2.449 20 0 BEADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000300932629 349452751 /nfs/dbraw/zinc/45/27/51/349452751.db2.gz NYEIBRCAASJISC-CHWSQXEVSA-N 2 1 212.381 2.339 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1F ZINC000094338723 178003801 /nfs/dbraw/zinc/00/38/01/178003801.db2.gz KRIKQQXKAZOIGR-RISCZKNCSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1F ZINC000094338723 178003802 /nfs/dbraw/zinc/00/38/02/178003802.db2.gz KRIKQQXKAZOIGR-RISCZKNCSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1Cl ZINC000336523596 178004211 /nfs/dbraw/zinc/00/42/11/178004211.db2.gz KRPXWRHRSCNZAL-GFCCVEGCSA-N 2 1 238.762 2.429 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)ccc1Cl ZINC000336523596 178004213 /nfs/dbraw/zinc/00/42/13/178004213.db2.gz KRPXWRHRSCNZAL-GFCCVEGCSA-N 2 1 238.762 2.429 20 0 BEADMP Cc1cc(C[NH2+]CCC[NH+](C)C)cs1 ZINC000336699575 178020251 /nfs/dbraw/zinc/02/02/51/178020251.db2.gz WQQXUBZVDPBINI-UHFFFAOYSA-N 2 1 212.362 2.098 20 0 BEADMP Cc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)ccc1F ZINC000271798522 178020738 /nfs/dbraw/zinc/02/07/38/178020738.db2.gz IMSWNWBFCWQMCX-UHFFFAOYSA-N 2 1 248.345 2.486 20 0 BEADMP CC[C@@H]1C[C@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)CCO1 ZINC000379794767 398169043 /nfs/dbraw/zinc/16/90/43/398169043.db2.gz CFHZLLANZGWQEZ-BFHYXJOUSA-N 2 1 242.407 2.262 20 0 BEADMP CC[C@@H]1C[C@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)CCO1 ZINC000379794767 398169045 /nfs/dbraw/zinc/16/90/45/398169045.db2.gz CFHZLLANZGWQEZ-BFHYXJOUSA-N 2 1 242.407 2.262 20 0 BEADMP Cc1cc(C[NH2+][C@@H](C)CC[NH+](C)C)cs1 ZINC000285911231 178028341 /nfs/dbraw/zinc/02/83/41/178028341.db2.gz NNCQRBXJGZUEDJ-JTQLQIEISA-N 2 1 226.389 2.486 20 0 BEADMP C[C@@H](C[N@H+]1C[C@H](C[NH3+])C[C@H]1C)C(C)(C)C ZINC000379814611 398170445 /nfs/dbraw/zinc/17/04/45/398170445.db2.gz PTZUNLMPGVRZRO-TUAOUCFPSA-N 2 1 212.381 2.338 20 0 BEADMP COCc1cccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424291348 398180837 /nfs/dbraw/zinc/18/08/37/398180837.db2.gz NOXQUUOKCKIVKL-HUUCEWRRSA-N 2 1 248.370 2.193 20 0 BEADMP COCCC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415097783 398161720 /nfs/dbraw/zinc/16/17/20/398161720.db2.gz DLOKLWPKJAGIJT-HUUCEWRRSA-N 2 1 248.370 2.106 20 0 BEADMP C1[C@H]([NH2+][C@H]2CCC[NH2+]C2)[C@@H]1C1CCCCC1 ZINC000415118212 398163513 /nfs/dbraw/zinc/16/35/13/398163513.db2.gz WDZDPDSTNGSLFM-IHRRRGAJSA-N 2 1 222.376 2.297 20 0 BEADMP C1[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@@H]1C1CCCCC1 ZINC000415118210 398163573 /nfs/dbraw/zinc/16/35/73/398163573.db2.gz WDZDPDSTNGSLFM-HZSPNIEDSA-N 2 1 222.376 2.297 20 0 BEADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083390568 398185641 /nfs/dbraw/zinc/18/56/41/398185641.db2.gz VKJTUBXRAAFNRQ-MBNYWOFBSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000083390492 398185680 /nfs/dbraw/zinc/18/56/80/398185680.db2.gz STXNALHIBOKMBA-RISCZKNCSA-N 2 1 222.376 2.391 20 0 BEADMP Cc1[nH+]ccn1CCCN(C)c1cc[nH+]c(C)c1 ZINC000274934518 178098377 /nfs/dbraw/zinc/09/83/77/178098377.db2.gz RQAOBGLPSCLVBI-UHFFFAOYSA-N 2 1 244.342 2.421 20 0 BEADMP Cc1cc(N(C)C[C@@H]2CCC[N@@H+](C)C2)cc[nH+]1 ZINC000274931770 178098437 /nfs/dbraw/zinc/09/84/37/178098437.db2.gz QZYFVXKONXIJGO-CYBMUJFWSA-N 2 1 233.359 2.168 20 0 BEADMP CC1CC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000228671021 398196687 /nfs/dbraw/zinc/19/66/87/398196687.db2.gz HRGJMPKAKPWADA-TYUFSLCMSA-N 2 1 208.349 2.001 20 0 BEADMP CC1CC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000228671021 398196692 /nfs/dbraw/zinc/19/66/92/398196692.db2.gz HRGJMPKAKPWADA-TYUFSLCMSA-N 2 1 208.349 2.001 20 0 BEADMP Cc1cc(N2CC[C@]3(C2)CCC[N@H+](C)C3)cc[nH+]1 ZINC000292649745 178118391 /nfs/dbraw/zinc/11/83/91/178118391.db2.gz BNJPEFNVWDWTGU-OAHLLOKOSA-N 2 1 245.370 2.312 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000162780219 538924781 /nfs/dbraw/zinc/92/47/81/538924781.db2.gz UNEONUPVDJZLPO-NEPJUHHUSA-N 2 1 230.421 2.059 20 0 BEADMP Cc1cc(NCC2([NH+](C)C)CCCC2)nc(C)[nH+]1 ZINC000107815699 178156087 /nfs/dbraw/zinc/15/60/87/178156087.db2.gz NQNZXOHHASZXCP-UHFFFAOYSA-N 2 1 248.374 2.380 20 0 BEADMP Cc1cc(N[C@@H](C[NH3+])C2CCCCC2)nc(C)[nH+]1 ZINC000130871435 178180056 /nfs/dbraw/zinc/18/00/56/178180056.db2.gz SYNUUQZZACXYHQ-ZDUSSCGKSA-N 2 1 248.374 2.413 20 0 BEADMP Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(C)[nH+]1 ZINC000107830473 178183507 /nfs/dbraw/zinc/18/35/07/178183507.db2.gz RDDKSZZHYDIWEP-CHWSQXEVSA-N 2 1 246.358 2.132 20 0 BEADMP Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc(C)[nH+]1 ZINC000107830473 178183508 /nfs/dbraw/zinc/18/35/08/178183508.db2.gz RDDKSZZHYDIWEP-CHWSQXEVSA-N 2 1 246.358 2.132 20 0 BEADMP Cc1cc(N[C@H]2CC[NH2+]C3(CCC3)C2)nc(C)[nH+]1 ZINC000037756873 178190914 /nfs/dbraw/zinc/19/09/14/178190914.db2.gz UPTBBZTZXXMGDR-LBPRGKRZSA-N 2 1 246.358 2.180 20 0 BEADMP Cc1cc(N[C@H](C)C2=CC[N@H+](C)CC2)nc(C)[nH+]1 ZINC000275827490 538931869 /nfs/dbraw/zinc/93/18/69/538931869.db2.gz NTAAFJFOHYYTKZ-LLVKDONJSA-N 2 1 246.358 2.156 20 0 BEADMP Cc1cc(N[C@H](C)C2=CC[N@@H+](C)CC2)nc(C)[nH+]1 ZINC000275827490 538931870 /nfs/dbraw/zinc/93/18/70/538931870.db2.gz NTAAFJFOHYYTKZ-LLVKDONJSA-N 2 1 246.358 2.156 20 0 BEADMP CC[C@H](C)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000421390852 192328067 /nfs/dbraw/zinc/32/80/67/192328067.db2.gz VJVRGHXAOUKSJV-JTQLQIEISA-N 2 1 241.404 2.340 20 0 BEADMP CCC(CC)C[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000037484202 168361788 /nfs/dbraw/zinc/36/17/88/168361788.db2.gz RYZVBBIRIGTSLU-ZDUSSCGKSA-N 2 1 212.381 2.354 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000229539491 538939314 /nfs/dbraw/zinc/93/93/14/538939314.db2.gz SWIAYLRCUHHJGQ-QNWHQSFQSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000062050563 398247861 /nfs/dbraw/zinc/24/78/61/398247861.db2.gz KZJNDPSZCZYTPG-FZMZJTMJSA-N 2 1 236.334 2.098 20 0 BEADMP CCC(CC)[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746575 168367727 /nfs/dbraw/zinc/36/77/27/168367727.db2.gz SEAMSYHJASKPBS-QYJAPNMZSA-N 2 1 210.365 2.390 20 0 BEADMP C1CC2(C1)CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000335065010 136232543 /nfs/dbraw/zinc/23/25/43/136232543.db2.gz ZTNKALGDUSFPRY-NEPJUHHUSA-N 2 1 208.349 2.051 20 0 BEADMP C[C@@H]1CCC[C@@H](C)[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000381615840 398266808 /nfs/dbraw/zinc/26/68/08/398266808.db2.gz VEZKRZHDMVYNPY-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP C[N@H+](C[C@@H]1CCCCC1(F)F)[C@@H](C[NH3+])C1CC1 ZINC000381587529 398265188 /nfs/dbraw/zinc/26/51/88/398265188.db2.gz CWVOJYOMJVZYOA-RYUDHWBXSA-N 2 1 246.345 2.481 20 0 BEADMP C[N@@H+](C[C@@H]1CCCCC1(F)F)[C@@H](C[NH3+])C1CC1 ZINC000381587529 398265189 /nfs/dbraw/zinc/26/51/89/398265189.db2.gz CWVOJYOMJVZYOA-RYUDHWBXSA-N 2 1 246.345 2.481 20 0 BEADMP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)[C@H](C)C1 ZINC000378761554 346828595 /nfs/dbraw/zinc/82/85/95/346828595.db2.gz KBFBNRPZMZVMDU-YVECIDJPSA-N 2 1 228.355 2.197 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)[C@H](C)C1 ZINC000378761554 346828598 /nfs/dbraw/zinc/82/85/98/346828598.db2.gz KBFBNRPZMZVMDU-YVECIDJPSA-N 2 1 228.355 2.197 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC[N@@H+]1C ZINC000378916256 346858398 /nfs/dbraw/zinc/85/83/98/346858398.db2.gz AHHRONQSITVESW-PEBLQZBPSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC[N@H+]1C ZINC000378916256 346858401 /nfs/dbraw/zinc/85/84/01/346858401.db2.gz AHHRONQSITVESW-PEBLQZBPSA-N 2 1 222.376 2.247 20 0 BEADMP Cc1[nH+]ccn1CCC[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000162235403 349615687 /nfs/dbraw/zinc/61/56/87/349615687.db2.gz LMXLKTUWRRAEDZ-ZIAGYGMSSA-N 2 1 233.359 2.314 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)C1(C)CC1 ZINC000247056434 323011957 /nfs/dbraw/zinc/01/19/57/323011957.db2.gz PHXDHPWVIGYQRI-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)C1(C)CC1 ZINC000247056434 323011958 /nfs/dbraw/zinc/01/19/58/323011958.db2.gz PHXDHPWVIGYQRI-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP CCC(CC)[NH2+]CC[N@H+](C)[C@@H](C)CC ZINC000053377527 168387483 /nfs/dbraw/zinc/38/74/83/168387483.db2.gz BVIZMKHEMAGEAJ-NSHDSACASA-N 2 1 200.370 2.495 20 0 BEADMP CCC(CC)[NH2+]CC[N@@H+](C)[C@@H](C)CC ZINC000053377527 168387485 /nfs/dbraw/zinc/38/74/85/168387485.db2.gz BVIZMKHEMAGEAJ-NSHDSACASA-N 2 1 200.370 2.495 20 0 BEADMP Cc1cc(N)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000335365117 398286998 /nfs/dbraw/zinc/28/69/98/398286998.db2.gz YIPJPUXLBHJZCZ-DOMZBBRYSA-N 2 1 247.386 2.150 20 0 BEADMP Cc1[nH+]cc(-c2cccc(C[NH+](C)C)c2)n1C ZINC000630052788 361920919 /nfs/dbraw/zinc/92/09/19/361920919.db2.gz WLAOKOMCKYCQOO-UHFFFAOYSA-N 2 1 229.327 2.457 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000045692125 538992995 /nfs/dbraw/zinc/99/29/95/538992995.db2.gz DNTSKBPBQJTQDX-ZDUSSCGKSA-N 2 1 246.398 2.474 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCCC2)[C@H](C)C1 ZINC000151238756 323014259 /nfs/dbraw/zinc/01/42/59/323014259.db2.gz OOYRDELLAVVNMI-DGCLKSJQSA-N 2 1 210.365 2.249 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000378958969 346866015 /nfs/dbraw/zinc/86/60/15/346866015.db2.gz ONWAJBXVDWSEJR-XBFCOCLRSA-N 2 1 222.376 2.249 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000300231805 259326846 /nfs/dbraw/zinc/32/68/46/259326846.db2.gz IWYPRVVTNGZCAG-QWHCGFSZSA-N 2 1 242.432 2.059 20 0 BEADMP C(C1CC1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134871375 342909987 /nfs/dbraw/zinc/90/99/87/342909987.db2.gz CSKBTEYENJBTKP-HIFRSBDPSA-N 2 1 234.387 2.345 20 0 BEADMP C(C1CC1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134871375 342909988 /nfs/dbraw/zinc/90/99/88/342909988.db2.gz CSKBTEYENJBTKP-HIFRSBDPSA-N 2 1 234.387 2.345 20 0 BEADMP C(C1CC1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134871375 342909989 /nfs/dbraw/zinc/90/99/89/342909989.db2.gz CSKBTEYENJBTKP-HIFRSBDPSA-N 2 1 234.387 2.345 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173907190 346874906 /nfs/dbraw/zinc/87/49/06/346874906.db2.gz WTSLFYMGLGTEMF-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000173907190 346874910 /nfs/dbraw/zinc/87/49/10/346874910.db2.gz WTSLFYMGLGTEMF-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)CC(C)C)CC1 ZINC000037264405 342925771 /nfs/dbraw/zinc/92/57/71/342925771.db2.gz GAXDNNDCCQMCAE-GFCCVEGCSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H](C[NH2+][C@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000215909245 346879212 /nfs/dbraw/zinc/87/92/12/346879212.db2.gz YQTIEJVZQWOHBB-MFKMUULPSA-N 2 1 238.762 2.395 20 0 BEADMP CC[NH+](CC)CCCNc1cc(C)[nH+]c(C)n1 ZINC000037498677 398329817 /nfs/dbraw/zinc/32/98/17/398329817.db2.gz REVCYORKQBDQRZ-UHFFFAOYSA-N 2 1 236.363 2.237 20 0 BEADMP CCC[C@@H](C)[NH2+]CC[N@H+](C)[C@@H](C)CC ZINC000053377502 346888134 /nfs/dbraw/zinc/88/81/34/346888134.db2.gz ZMRGFQRRUUOHKN-NEPJUHHUSA-N 2 1 200.370 2.495 20 0 BEADMP CCC[C@@H](C)[NH2+]CC[N@@H+](C)[C@@H](C)CC ZINC000053377502 346888136 /nfs/dbraw/zinc/88/81/36/346888136.db2.gz ZMRGFQRRUUOHKN-NEPJUHHUSA-N 2 1 200.370 2.495 20 0 BEADMP CCc1ccc([C@@H](CC)[NH2+]CC[NH3+])cc1 ZINC000037712770 342942992 /nfs/dbraw/zinc/94/29/92/342942992.db2.gz JTNKGGJQDHQICF-CYBMUJFWSA-N 2 1 206.333 2.248 20 0 BEADMP Cc1cc(C)cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000228072581 398340842 /nfs/dbraw/zinc/34/08/42/398340842.db2.gz UFOCGSBCMHGCOX-HIFRSBDPSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC[C@H](C)F ZINC000351758815 136252511 /nfs/dbraw/zinc/25/25/11/136252511.db2.gz RAXDKFQSUHNIFF-NSHDSACASA-N 2 1 227.327 2.262 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)CC[C@H](C)F ZINC000351758815 136252512 /nfs/dbraw/zinc/25/25/12/136252512.db2.gz RAXDKFQSUHNIFF-NSHDSACASA-N 2 1 227.327 2.262 20 0 BEADMP CC[C@@H](c1ccccc1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313350933 259333850 /nfs/dbraw/zinc/33/38/50/259333850.db2.gz LDLYUAKFCZJNSB-GJZGRUSLSA-N 2 1 248.370 2.187 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCC[C@H](F)C1 ZINC000516926585 259334409 /nfs/dbraw/zinc/33/44/09/259334409.db2.gz HQMSDSSWVXQXIP-VOAKCMCISA-N 2 1 228.355 2.197 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCC[C@H](F)C1 ZINC000516926585 259334410 /nfs/dbraw/zinc/33/44/10/259334410.db2.gz HQMSDSSWVXQXIP-VOAKCMCISA-N 2 1 228.355 2.197 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000167478682 136254976 /nfs/dbraw/zinc/25/49/76/136254976.db2.gz WRIPMOIYFYFAPJ-WXHSDQCUSA-N 2 1 210.365 2.140 20 0 BEADMP C[C@H]1CCC[C@H](C[NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000235645102 259335138 /nfs/dbraw/zinc/33/51/38/259335138.db2.gz LFHCVPGZQVEYMQ-RWMBFGLXSA-N 2 1 210.365 2.154 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H](C)F)[C@@H](C)C1 ZINC000351852919 136257663 /nfs/dbraw/zinc/25/76/63/136257663.db2.gz AZTGJKZVZIHOEC-XQQFMLRXSA-N 2 1 230.371 2.397 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H](C)F)[C@@H](C)C1 ZINC000351852919 136257664 /nfs/dbraw/zinc/25/76/64/136257664.db2.gz AZTGJKZVZIHOEC-XQQFMLRXSA-N 2 1 230.371 2.397 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H](C)F)[C@@H](C)C1 ZINC000351852919 136257665 /nfs/dbraw/zinc/25/76/65/136257665.db2.gz AZTGJKZVZIHOEC-XQQFMLRXSA-N 2 1 230.371 2.397 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H](C)F)[C@H](C)C1 ZINC000351852917 136257682 /nfs/dbraw/zinc/25/76/82/136257682.db2.gz AZTGJKZVZIHOEC-UPJWGTAASA-N 2 1 230.371 2.397 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H](C)F)[C@H](C)C1 ZINC000351852917 136257683 /nfs/dbraw/zinc/25/76/83/136257683.db2.gz AZTGJKZVZIHOEC-UPJWGTAASA-N 2 1 230.371 2.397 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H](C)F)[C@H](C)C1 ZINC000351852917 136257684 /nfs/dbraw/zinc/25/76/84/136257684.db2.gz AZTGJKZVZIHOEC-UPJWGTAASA-N 2 1 230.371 2.397 20 0 BEADMP C[C@@H](Cc1ccsc1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000235129648 342987845 /nfs/dbraw/zinc/98/78/45/342987845.db2.gz MJFHYXJZBAOCAP-JQWIXIFHSA-N 2 1 224.373 2.021 20 0 BEADMP CSC1(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)CCC1 ZINC000235256208 342999549 /nfs/dbraw/zinc/99/95/49/342999549.db2.gz GQFDOZJNPALASQ-GFCCVEGCSA-N 2 1 242.432 2.204 20 0 BEADMP Cc1csc(C[NH2+]Cc2ccc(C[NH3+])cc2)n1 ZINC000049539111 343018038 /nfs/dbraw/zinc/01/80/38/343018038.db2.gz JHFGTASDJAWEBH-UHFFFAOYSA-N 2 1 247.367 2.200 20 0 BEADMP Cc1ccncc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000162636479 349779222 /nfs/dbraw/zinc/77/92/22/349779222.db2.gz BQHGPGMUKIXLEL-GZBFAFLISA-N 2 1 247.386 2.208 20 0 BEADMP Cc1ccncc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000162636479 349779223 /nfs/dbraw/zinc/77/92/23/349779223.db2.gz BQHGPGMUKIXLEL-GZBFAFLISA-N 2 1 247.386 2.208 20 0 BEADMP C[N@@H+](CCC1CC[NH2+]CC1)C1CCCC1 ZINC000020593542 349795425 /nfs/dbraw/zinc/79/54/25/349795425.db2.gz OWXPOPNRUICEMZ-UHFFFAOYSA-N 2 1 210.365 2.251 20 0 BEADMP CC[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678134331 488203224 /nfs/dbraw/zinc/20/32/24/488203224.db2.gz YFKWOVFSFQSYAO-UHFFFAOYSA-N 2 1 236.359 2.079 20 0 BEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](C(F)F)C1 ZINC000677729298 488204582 /nfs/dbraw/zinc/20/45/82/488204582.db2.gz BUNUNYHOHPUMGE-NWDGAFQWSA-N 2 1 246.345 2.448 20 0 BEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](C(F)F)C1 ZINC000677729298 488204584 /nfs/dbraw/zinc/20/45/84/488204584.db2.gz BUNUNYHOHPUMGE-NWDGAFQWSA-N 2 1 246.345 2.448 20 0 BEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](C(F)F)C1 ZINC000677729298 488204587 /nfs/dbraw/zinc/20/45/87/488204587.db2.gz BUNUNYHOHPUMGE-NWDGAFQWSA-N 2 1 246.345 2.448 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1F ZINC000131448786 343183738 /nfs/dbraw/zinc/18/37/38/343183738.db2.gz ASAXKAWYBSHHAV-AAEUAGOBSA-N 2 1 236.334 2.446 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1F ZINC000131448786 343183739 /nfs/dbraw/zinc/18/37/39/343183739.db2.gz ASAXKAWYBSHHAV-AAEUAGOBSA-N 2 1 236.334 2.446 20 0 BEADMP C[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)CC1 ZINC000082489535 136276730 /nfs/dbraw/zinc/27/67/30/136276730.db2.gz YCBVULRWRVEVFE-CYBMUJFWSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@H]1C[C@H]1CN1CCC2(CCC[N@H+]2C)CC1 ZINC000625291170 343223076 /nfs/dbraw/zinc/22/30/76/343223076.db2.gz XSLNPLORXUHXER-STQMWFEESA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H]1C[C@H]1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000625291170 343223079 /nfs/dbraw/zinc/22/30/79/343223079.db2.gz XSLNPLORXUHXER-STQMWFEESA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H]1C[C@H]1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000625291170 343223081 /nfs/dbraw/zinc/22/30/81/343223081.db2.gz XSLNPLORXUHXER-STQMWFEESA-N 2 1 222.376 2.203 20 0 BEADMP Cc1ccncc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000135455278 343192780 /nfs/dbraw/zinc/19/27/80/343192780.db2.gz ZUHCYJKQNXDSBB-AWEZNQCLSA-N 2 1 247.386 2.210 20 0 BEADMP Cc1ccncc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000135455278 343192781 /nfs/dbraw/zinc/19/27/81/343192781.db2.gz ZUHCYJKQNXDSBB-AWEZNQCLSA-N 2 1 247.386 2.210 20 0 BEADMP Cc1ccncc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000135455298 343192805 /nfs/dbraw/zinc/19/28/05/343192805.db2.gz ZUHCYJKQNXDSBB-CQSZACIVSA-N 2 1 247.386 2.210 20 0 BEADMP Cc1ccncc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000135455298 343192807 /nfs/dbraw/zinc/19/28/07/343192807.db2.gz ZUHCYJKQNXDSBB-CQSZACIVSA-N 2 1 247.386 2.210 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CCC[C@H](C)C1 ZINC000087472192 136281588 /nfs/dbraw/zinc/28/15/88/136281588.db2.gz WFJBAPHIRXNMPB-STQMWFEESA-N 2 1 212.381 2.354 20 0 BEADMP C[C@@H](CN)[N@@H+](C)Cc1cccc2ncccc12 ZINC000634687333 343240792 /nfs/dbraw/zinc/24/07/92/343240792.db2.gz HOIRAOAWCYMTBA-NSHDSACASA-N 2 1 229.327 2.014 20 0 BEADMP C[C@@H](C[NH3+])[N@H+](C)Cc1cccc2ncccc12 ZINC000634687333 343240793 /nfs/dbraw/zinc/24/07/93/343240793.db2.gz HOIRAOAWCYMTBA-NSHDSACASA-N 2 1 229.327 2.014 20 0 BEADMP C[C@@H](C[NH3+])[N@@H+](C)Cc1cccc2ncccc12 ZINC000634687333 343240794 /nfs/dbraw/zinc/24/07/94/343240794.db2.gz HOIRAOAWCYMTBA-NSHDSACASA-N 2 1 229.327 2.014 20 0 BEADMP NC[C@H]1CCC[N@H+]1Cc1cccc2ncccc12 ZINC000634687413 343240800 /nfs/dbraw/zinc/24/08/00/343240800.db2.gz KLMHYDKLEXLDJO-CYBMUJFWSA-N 2 1 241.338 2.158 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc2ncccc12 ZINC000634687413 343240801 /nfs/dbraw/zinc/24/08/01/343240801.db2.gz KLMHYDKLEXLDJO-CYBMUJFWSA-N 2 1 241.338 2.158 20 0 BEADMP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc2ncccc12 ZINC000634687413 343240802 /nfs/dbraw/zinc/24/08/02/343240802.db2.gz KLMHYDKLEXLDJO-CYBMUJFWSA-N 2 1 241.338 2.158 20 0 BEADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cccs1 ZINC000083758645 136278257 /nfs/dbraw/zinc/27/82/57/136278257.db2.gz CVXFCCFZSXRESV-JTQLQIEISA-N 2 1 212.362 2.211 20 0 BEADMP CCCc1csc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])n1 ZINC000569724080 323038894 /nfs/dbraw/zinc/03/88/94/323038894.db2.gz PRLMRUZAIKQJQH-NXEZZACHSA-N 2 1 241.404 2.311 20 0 BEADMP CCC(CC)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069723840 343290195 /nfs/dbraw/zinc/29/01/95/343290195.db2.gz FFNYQSKCUKJQAA-ZDUSSCGKSA-N 2 1 212.381 2.483 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000070613307 343334344 /nfs/dbraw/zinc/33/43/44/343334344.db2.gz DEHFDMWESCZQTN-CYBMUJFWSA-N 2 1 212.381 2.354 20 0 BEADMP CC[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000038098341 343370736 /nfs/dbraw/zinc/37/07/36/343370736.db2.gz TXNPJKMGYGIEEO-UHFFFAOYSA-N 2 1 219.332 2.286 20 0 BEADMP CC(C)[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000166266818 136325216 /nfs/dbraw/zinc/32/52/16/136325216.db2.gz PCHOBAPSDPBUGF-CQSZACIVSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000349157519 136327744 /nfs/dbraw/zinc/32/77/44/136327744.db2.gz YTPCJFVNDMXXMU-BPLDGKMQSA-N 2 1 236.403 2.306 20 0 BEADMP CC[NH+](CC)CCC[N@H+](C)CCc1ccncc1 ZINC000041305008 343419079 /nfs/dbraw/zinc/41/90/79/343419079.db2.gz QAHSRHMOKBXYOV-UHFFFAOYSA-N 2 1 249.402 2.288 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](C)CCc1ccncc1 ZINC000041305008 343419083 /nfs/dbraw/zinc/41/90/83/343419083.db2.gz QAHSRHMOKBXYOV-UHFFFAOYSA-N 2 1 249.402 2.288 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)CC(C)(C)COC ZINC000349412318 136345466 /nfs/dbraw/zinc/34/54/66/136345466.db2.gz BQLMTAZBPOWWMI-UHFFFAOYSA-N 2 1 244.423 2.323 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)C[C@H]1CCSC1 ZINC000349411462 136345496 /nfs/dbraw/zinc/34/54/96/136345496.db2.gz XKBDPHAAVIMOGM-GFCCVEGCSA-N 2 1 230.421 2.013 20 0 BEADMP CC[C@H](F)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000335703330 136335051 /nfs/dbraw/zinc/33/50/51/136335051.db2.gz PKQNPWYJOSQWBM-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP CC[C@H](F)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000335703330 136335052 /nfs/dbraw/zinc/33/50/52/136335052.db2.gz PKQNPWYJOSQWBM-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP CC[C@H](F)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000335703330 136335053 /nfs/dbraw/zinc/33/50/53/136335053.db2.gz PKQNPWYJOSQWBM-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP CC[C@H](F)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000335703330 136335054 /nfs/dbraw/zinc/33/50/54/136335054.db2.gz PKQNPWYJOSQWBM-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP Cc1ncccc1C[N@H+](C)[C@H]1CCN(C)C[C@H]1C ZINC000335844968 136354830 /nfs/dbraw/zinc/35/48/30/136354830.db2.gz XQGUCGKMDPFHGN-DOMZBBRYSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ncccc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000335844968 136354831 /nfs/dbraw/zinc/35/48/31/136354831.db2.gz XQGUCGKMDPFHGN-DOMZBBRYSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ncccc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000335844968 136354832 /nfs/dbraw/zinc/35/48/32/136354832.db2.gz XQGUCGKMDPFHGN-DOMZBBRYSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ncccc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000335844968 136354833 /nfs/dbraw/zinc/35/48/33/136354833.db2.gz XQGUCGKMDPFHGN-DOMZBBRYSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ncccc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000335844968 136354834 /nfs/dbraw/zinc/35/48/34/136354834.db2.gz XQGUCGKMDPFHGN-DOMZBBRYSA-N 2 1 247.386 2.162 20 0 BEADMP Cn1c2ccccc2[nH+]c1NCC[C@H]1CCC[NH2+]1 ZINC000166855107 136364254 /nfs/dbraw/zinc/36/42/54/136364254.db2.gz HBZYDIHEHQYRIH-LLVKDONJSA-N 2 1 244.342 2.127 20 0 BEADMP Cc1cc[nH+]c(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000227322871 343510376 /nfs/dbraw/zinc/51/03/76/343510376.db2.gz UIFIFYRFPFHOTL-RYUDHWBXSA-N 2 1 219.332 2.285 20 0 BEADMP Cc1cc[nH+]c(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000227322871 343510380 /nfs/dbraw/zinc/51/03/80/343510380.db2.gz UIFIFYRFPFHOTL-RYUDHWBXSA-N 2 1 219.332 2.285 20 0 BEADMP C[NH+]1CCC([NH2+]C2C(C)(C)C2(C)C)CC1 ZINC000086239787 343615752 /nfs/dbraw/zinc/61/57/52/343615752.db2.gz OOQHZXQOXROTIB-UHFFFAOYSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccnc1 ZINC000049553109 343601765 /nfs/dbraw/zinc/60/17/65/343601765.db2.gz VTQALOVWZGRWNT-RYUDHWBXSA-N 2 1 221.348 2.072 20 0 BEADMP C[C@H]([N@@H+](C)CC1CC[NH2+]CC1)C1(C)CC1 ZINC000087365094 343645565 /nfs/dbraw/zinc/64/55/65/343645565.db2.gz XOICYZCTNLUBCX-NSHDSACASA-N 2 1 210.365 2.106 20 0 BEADMP CCC1([NH+](C)C)CC[NH+](CCSC)CC1 ZINC000602966858 349827271 /nfs/dbraw/zinc/82/72/71/349827271.db2.gz TZZMKXQSANEDHD-UHFFFAOYSA-N 2 1 230.421 2.156 20 0 BEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000380002030 365794754 /nfs/dbraw/zinc/79/47/54/365794754.db2.gz YBRKQMWGPHSNTP-LBPRGKRZSA-N 2 1 244.423 2.103 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](C/C=C\Cl)C[C@@H]1C[NH3+] ZINC000397245510 343775073 /nfs/dbraw/zinc/77/50/73/343775073.db2.gz AQJLGTGIJXHSEB-UOMVISFLSA-N 2 1 216.756 2.044 20 0 BEADMP C[C@H](C[N@H+]1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000044528047 343781248 /nfs/dbraw/zinc/78/12/48/343781248.db2.gz QIKLPOPRTBEGTO-ZIAGYGMSSA-N 2 1 232.371 2.461 20 0 BEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336675099 537821790 /nfs/dbraw/zinc/82/17/90/537821790.db2.gz PFUNSVUHENBLLX-MQYQWHSLSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336675099 537821801 /nfs/dbraw/zinc/82/18/01/537821801.db2.gz PFUNSVUHENBLLX-MQYQWHSLSA-N 2 1 224.392 2.493 20 0 BEADMP Cc1ccc(C[NH2+]CCc2c[nH+]cn2C)c(C)c1 ZINC000401859905 343882550 /nfs/dbraw/zinc/88/25/50/343882550.db2.gz XEBZTCVFYJRYOA-UHFFFAOYSA-N 2 1 243.354 2.369 20 0 BEADMP CC(C)=CCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621784629 343907495 /nfs/dbraw/zinc/90/74/95/343907495.db2.gz RSKAIWMUROVPGF-CHWSQXEVSA-N 2 1 208.349 2.156 20 0 BEADMP CCC(CC)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000130275295 344219717 /nfs/dbraw/zinc/21/97/17/344219717.db2.gz VHAFSTALSTZWCQ-LLVKDONJSA-N 2 1 200.370 2.386 20 0 BEADMP CC(C)CCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622003959 344181281 /nfs/dbraw/zinc/18/12/81/344181281.db2.gz IGJPUIZTOJRVPK-QWHCGFSZSA-N 2 1 210.365 2.236 20 0 BEADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000309360523 347042740 /nfs/dbraw/zinc/04/27/40/347042740.db2.gz OQWDVASQTXFJMZ-UBHSHLNASA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000309360523 347042743 /nfs/dbraw/zinc/04/27/43/347042743.db2.gz OQWDVASQTXFJMZ-UBHSHLNASA-N 2 1 224.392 2.493 20 0 BEADMP C[NH+](C)[C@@H](C[NH2+]CC1(C)CCC1)C1CC1 ZINC000336761681 537843334 /nfs/dbraw/zinc/84/33/34/537843334.db2.gz NAGLBLVLCWVDCB-LBPRGKRZSA-N 2 1 210.365 2.106 20 0 BEADMP C[NH+](C)[C@H](C[NH2+]CC1(C)CCC1)C1CC1 ZINC000336761680 537842979 /nfs/dbraw/zinc/84/29/79/537842979.db2.gz NAGLBLVLCWVDCB-GFCCVEGCSA-N 2 1 210.365 2.106 20 0 BEADMP C[N@@H+](C[C@H]1CCSC1)C[C@@H]1CCC[NH+](C)C1 ZINC000495060196 529972350 /nfs/dbraw/zinc/97/23/50/529972350.db2.gz PZLZHIVKCRPXJB-CHWSQXEVSA-N 2 1 242.432 2.013 20 0 BEADMP C[NH+](C[C@H]1CCSC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000495060196 529972351 /nfs/dbraw/zinc/97/23/51/529972351.db2.gz PZLZHIVKCRPXJB-CHWSQXEVSA-N 2 1 242.432 2.013 20 0 BEADMP C[NH+](C[C@H]1CCSC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000495060196 529972352 /nfs/dbraw/zinc/97/23/52/529972352.db2.gz PZLZHIVKCRPXJB-CHWSQXEVSA-N 2 1 242.432 2.013 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCC1CCCCC1 ZINC000385145754 344356004 /nfs/dbraw/zinc/35/60/04/344356004.db2.gz NYLXBQFJSFWFEM-WCQYABFASA-N 2 1 210.365 2.378 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCC1CCCCC1 ZINC000385145754 344356006 /nfs/dbraw/zinc/35/60/06/344356006.db2.gz NYLXBQFJSFWFEM-WCQYABFASA-N 2 1 210.365 2.378 20 0 BEADMP C[C@H]([NH3+])C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000380760602 344438385 /nfs/dbraw/zinc/43/83/85/344438385.db2.gz WDDGWYWHBVUILV-SMDDNHRTSA-N 2 1 218.344 2.343 20 0 BEADMP C[C@H]([NH3+])C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000380760602 344438386 /nfs/dbraw/zinc/43/83/86/344438386.db2.gz WDDGWYWHBVUILV-SMDDNHRTSA-N 2 1 218.344 2.343 20 0 BEADMP CC(C)=CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000228317848 259376106 /nfs/dbraw/zinc/37/61/06/259376106.db2.gz SEWJFTQOHIWECQ-RWMBFGLXSA-N 2 1 210.365 2.271 20 0 BEADMP CCC1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000043327564 344489223 /nfs/dbraw/zinc/48/92/23/344489223.db2.gz JDNLFXBDIMXTHP-WXRRBKDZSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CC[NH3+] ZINC000037712913 344572628 /nfs/dbraw/zinc/57/26/28/344572628.db2.gz QXYABGROGDXNET-GFCCVEGCSA-N 2 1 220.360 2.291 20 0 BEADMP CC(C)(N)C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045089776 344558048 /nfs/dbraw/zinc/55/80/48/344558048.db2.gz KDWRZFNFVFKUDU-GFCCVEGCSA-N 2 1 210.365 2.378 20 0 BEADMP Cc1cc(N[C@H](C)C[N@H+](C)C(C)C)nc(C)[nH+]1 ZINC000290580127 537852395 /nfs/dbraw/zinc/85/23/95/537852395.db2.gz BXGXVEYSBQWPFL-LLVKDONJSA-N 2 1 236.363 2.234 20 0 BEADMP Cc1cc(N[C@H](C)C[N@@H+](C)C(C)C)nc(C)[nH+]1 ZINC000290580127 537852404 /nfs/dbraw/zinc/85/24/04/537852404.db2.gz BXGXVEYSBQWPFL-LLVKDONJSA-N 2 1 236.363 2.234 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+]CC2(C)CCC2)C1 ZINC000336778532 537851824 /nfs/dbraw/zinc/85/18/24/537851824.db2.gz LOBBXXCXFLHMLM-CYBMUJFWSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CCCC(C)(F)F)CC[N@H+]1C ZINC000390110263 259380507 /nfs/dbraw/zinc/38/05/07/259380507.db2.gz WNOJMMRJKPLLIH-QWRGUYRKSA-N 2 1 234.334 2.494 20 0 BEADMP CCOCCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860660 344785944 /nfs/dbraw/zinc/78/59/44/344785944.db2.gz CKYGOAWUPHQVEA-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000382048205 347078217 /nfs/dbraw/zinc/07/82/17/347078217.db2.gz BDNJXNJFCWFHCZ-XJFOESAGSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000039102034 344850336 /nfs/dbraw/zinc/85/03/36/344850336.db2.gz OXJYWERKFNGMGY-KBPBESRZSA-N 2 1 218.344 2.246 20 0 BEADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)CC1(C)CCC1 ZINC000432833663 537869184 /nfs/dbraw/zinc/86/91/84/537869184.db2.gz DYMNSCNVNPQOQR-ZDUSSCGKSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)CC1(C)CCC1 ZINC000432833663 537869188 /nfs/dbraw/zinc/86/91/88/537869188.db2.gz DYMNSCNVNPQOQR-ZDUSSCGKSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)CC1(C)CCC1 ZINC000432833663 537869192 /nfs/dbraw/zinc/86/91/92/537869192.db2.gz DYMNSCNVNPQOQR-ZDUSSCGKSA-N 2 1 224.392 2.450 20 0 BEADMP COCC[C@H](C)[NH2+][C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000151972750 323080060 /nfs/dbraw/zinc/08/00/60/323080060.db2.gz RRHNMIKRBQVSIG-HZSPNIEDSA-N 2 1 242.407 2.121 20 0 BEADMP COCC[C@H](C)[NH2+][C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000151972750 323080061 /nfs/dbraw/zinc/08/00/61/323080061.db2.gz RRHNMIKRBQVSIG-HZSPNIEDSA-N 2 1 242.407 2.121 20 0 BEADMP CO[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000234838914 537879704 /nfs/dbraw/zinc/87/97/04/537879704.db2.gz YZCYVKTWFCDCSX-ZIAGYGMSSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@H](c1cccs1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000248089924 345037072 /nfs/dbraw/zinc/03/70/72/345037072.db2.gz UWQCPGDFYYIQES-MNOVXSKESA-N 2 1 224.373 2.350 20 0 BEADMP CC(C)([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000634993453 345190299 /nfs/dbraw/zinc/19/02/99/345190299.db2.gz VHMYAKUOBLGWMR-UHFFFAOYSA-N 2 1 230.355 2.263 20 0 BEADMP C(C1CC1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000156527990 345176971 /nfs/dbraw/zinc/17/69/71/345176971.db2.gz FPSVKDIZUXOLBH-AWEZNQCLSA-N 2 1 222.376 2.204 20 0 BEADMP C[C@@H]1CC[N@H+](CC23CC(C2)CN3)C[C@@H](C)C1 ZINC000634993578 345190754 /nfs/dbraw/zinc/19/07/54/345190754.db2.gz YOOQFVKJAXRWSI-KBHBFKLGSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@@H]1CC[N@@H+](CC23CC(C2)CN3)C[C@@H](C)C1 ZINC000634993578 345190757 /nfs/dbraw/zinc/19/07/57/345190757.db2.gz YOOQFVKJAXRWSI-KBHBFKLGSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@@H]1CCC[C@@H](C)[N@H+](CC23CC(C2)CN3)C1 ZINC000634992896 345188352 /nfs/dbraw/zinc/18/83/52/345188352.db2.gz FJNCTIAMIQHXCL-IWMBGFJWSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1CCC[C@@H](C)[N@@H+](CC23CC(C2)CN3)C1 ZINC000634992896 345188354 /nfs/dbraw/zinc/18/83/54/345188354.db2.gz FJNCTIAMIQHXCL-IWMBGFJWSA-N 2 1 222.376 2.249 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000634998709 345198605 /nfs/dbraw/zinc/19/86/05/345198605.db2.gz JNKPVLKOTDWMFG-MWLCHTKSSA-N 2 1 224.373 2.083 20 0 BEADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)ccc1F ZINC000634998868 345199025 /nfs/dbraw/zinc/19/90/25/345199025.db2.gz LZPQSPUSFSCADX-DGCLKSJQSA-N 2 1 236.334 2.161 20 0 BEADMP C[C@@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000634998760 345199085 /nfs/dbraw/zinc/19/90/85/345199085.db2.gz KORNVFXDYKFDHQ-SDEBIZQBSA-N 2 1 248.345 2.366 20 0 BEADMP Cc1ccsc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999741 345200109 /nfs/dbraw/zinc/20/01/09/345200109.db2.gz YNWZGCQEXRIFHS-GHMZBOCLSA-N 2 1 224.373 2.083 20 0 BEADMP Cc1cc(F)ccc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999666 345200594 /nfs/dbraw/zinc/20/05/94/345200594.db2.gz XOCUEKZOXISMEW-WCQYABFASA-N 2 1 236.334 2.161 20 0 BEADMP CCOc1ccccc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000635000501 345202174 /nfs/dbraw/zinc/20/21/74/345202174.db2.gz PSMVAUYCAWYXCW-GXTWGEPZSA-N 2 1 248.370 2.112 20 0 BEADMP C[C@H]([NH2+][C@H]1CCCC12CC2)c1c[nH+]ccc1N ZINC000635003703 345207075 /nfs/dbraw/zinc/20/70/75/345207075.db2.gz KNYWFXHEFJFORP-GWCFXTLKSA-N 2 1 231.343 2.477 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)o1 ZINC000635011227 345213040 /nfs/dbraw/zinc/21/30/40/345213040.db2.gz YLKVVGXAWRYNIR-MFKMUULPSA-N 2 1 222.332 2.066 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1C ZINC000380276436 345265452 /nfs/dbraw/zinc/26/54/52/345265452.db2.gz XUKGIPBJGZGTAK-FRRDWIJNSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1C ZINC000380276436 345265454 /nfs/dbraw/zinc/26/54/54/345265454.db2.gz XUKGIPBJGZGTAK-FRRDWIJNSA-N 2 1 212.381 2.493 20 0 BEADMP CCCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081632178 345488737 /nfs/dbraw/zinc/48/87/37/345488737.db2.gz VONPVOBDSDIYSW-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CCCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000081632178 345488738 /nfs/dbraw/zinc/48/87/38/345488738.db2.gz VONPVOBDSDIYSW-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CCCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000081632178 345488741 /nfs/dbraw/zinc/48/87/41/345488741.db2.gz VONPVOBDSDIYSW-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP Cc1ccc(C)c(C[N@@H+](C)[C@H](C[NH3+])C2CC2)c1 ZINC000159688775 345470347 /nfs/dbraw/zinc/47/03/47/345470347.db2.gz FMJMARALUSRSRF-OAHLLOKOSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1ccc(C)c(C[N@H+](C)[C@H](C[NH3+])C2CC2)c1 ZINC000159688775 345470349 /nfs/dbraw/zinc/47/03/49/345470349.db2.gz FMJMARALUSRSRF-OAHLLOKOSA-N 2 1 232.371 2.473 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCOCC)C1 ZINC000081570257 345479449 /nfs/dbraw/zinc/47/94/49/345479449.db2.gz OLLKTIBXNHFRRN-AWEZNQCLSA-N 2 1 242.407 2.077 20 0 BEADMP Cc1ccc(C[N@@H+](C)[C@H](C[NH3+])C2CC2)c(C)c1 ZINC000159757108 345518232 /nfs/dbraw/zinc/51/82/32/345518232.db2.gz KWPNEEBEGBFNMU-OAHLLOKOSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1ccc(C[N@H+](C)[C@H](C[NH3+])C2CC2)c(C)c1 ZINC000159757108 345518234 /nfs/dbraw/zinc/51/82/34/345518234.db2.gz KWPNEEBEGBFNMU-OAHLLOKOSA-N 2 1 232.371 2.473 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCF)[C@H](C)C1 ZINC000137645863 345668158 /nfs/dbraw/zinc/66/81/58/345668158.db2.gz XZJBOUXEAOGVHO-VXGBXAGGSA-N 2 1 216.344 2.008 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCF)[C@H](C)C1 ZINC000137645863 345668160 /nfs/dbraw/zinc/66/81/60/345668160.db2.gz XZJBOUXEAOGVHO-VXGBXAGGSA-N 2 1 216.344 2.008 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCF)[C@H](C)C1 ZINC000137645863 345668163 /nfs/dbraw/zinc/66/81/63/345668163.db2.gz XZJBOUXEAOGVHO-VXGBXAGGSA-N 2 1 216.344 2.008 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H](C)C1 ZINC000164421871 535004247 /nfs/dbraw/zinc/00/42/47/535004247.db2.gz PTECQPJVAUOSNZ-OLZOCXBDSA-N 2 1 212.381 2.495 20 0 BEADMP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[NH2+]C1 ZINC000215645469 345742795 /nfs/dbraw/zinc/74/27/95/345742795.db2.gz PNDSZLXFPLCAAX-CYBMUJFWSA-N 2 1 232.371 2.224 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccccc1C ZINC000231443763 345752897 /nfs/dbraw/zinc/75/28/97/345752897.db2.gz ARGMJVRECRQJAU-VXGBXAGGSA-N 2 1 206.333 2.383 20 0 BEADMP C[N@H+]1CC[C@@]2(CC[NH+](CC(C)(C)C)C2)C1 ZINC000145267900 345710622 /nfs/dbraw/zinc/71/06/22/345710622.db2.gz SCIHQICGGGREFL-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@H+](CC(C)(C)C)C2)C1 ZINC000145267900 345710623 /nfs/dbraw/zinc/71/06/23/345710623.db2.gz SCIHQICGGGREFL-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC(C)(C)C)C2)C1 ZINC000145267900 345710626 /nfs/dbraw/zinc/71/06/26/345710626.db2.gz SCIHQICGGGREFL-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP CCCCN1C[C@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000149042123 345715686 /nfs/dbraw/zinc/71/56/86/345715686.db2.gz QOJBVSXGQVYQCH-KBPBESRZSA-N 2 1 218.344 2.213 20 0 BEADMP Cc1cccc(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000138099347 345725625 /nfs/dbraw/zinc/72/56/25/345725625.db2.gz CUGXWJMWXLVOQQ-UHFFFAOYSA-N 2 1 220.360 2.379 20 0 BEADMP Cc1cccc(C[N@H+](C)CCC[NH+](C)C)c1 ZINC000138099347 345725628 /nfs/dbraw/zinc/72/56/28/345725628.db2.gz CUGXWJMWXLVOQQ-UHFFFAOYSA-N 2 1 220.360 2.379 20 0 BEADMP Cc1ccccc1CCC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000019933253 259386244 /nfs/dbraw/zinc/38/62/44/259386244.db2.gz YQUTZOBDFUMZHP-HNNXBMFYSA-N 2 1 232.371 2.351 20 0 BEADMP Cc1ccccc1CCC[N@H+]1CCC[C@H]1C[NH3+] ZINC000019933253 259386246 /nfs/dbraw/zinc/38/62/46/259386246.db2.gz YQUTZOBDFUMZHP-HNNXBMFYSA-N 2 1 232.371 2.351 20 0 BEADMP C[C@H]1C[C@@H](NCc2cnc(C3CC3)o2)CC[N@H+]1C ZINC000628223411 345964318 /nfs/dbraw/zinc/96/43/18/345964318.db2.gz CYPPSQQJZIHXGW-JQWIXIFHSA-N 2 1 249.358 2.124 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CC1(C)C ZINC000381492590 346077341 /nfs/dbraw/zinc/07/73/41/346077341.db2.gz YTEWIFGUFMQDDG-XQQFMLRXSA-N 2 1 224.392 2.352 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](C)[C@@H]2C)C1 ZINC000381498344 346156821 /nfs/dbraw/zinc/15/68/21/346156821.db2.gz CEISMJMZVDSYLE-RQJABVFESA-N 2 1 224.392 2.351 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228203941 179036223 /nfs/dbraw/zinc/03/62/23/179036223.db2.gz IPURWBODKIZTEQ-UONOGXRCSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1cccc(C)c1OCC[NH+]1CCC([NH3+])CC1 ZINC000020266794 179046183 /nfs/dbraw/zinc/04/61/83/179046183.db2.gz NSZNPZJMVXZNLG-UHFFFAOYSA-N 2 1 248.370 2.105 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)[C@@H]1C ZINC000669378552 537969003 /nfs/dbraw/zinc/96/90/03/537969003.db2.gz GODLHYWPBQHANE-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cccc(CC[N@@H+]2CC[NH2+][C@@H](C)CC2)c1 ZINC000051671000 179057005 /nfs/dbraw/zinc/05/70/05/179057005.db2.gz HNBUUEVBSDIHNG-AWEZNQCLSA-N 2 1 232.371 2.221 20 0 BEADMP Cc1cccc(CC[N@H+]2CC[NH2+][C@@H](C)CC2)c1 ZINC000051671000 179057008 /nfs/dbraw/zinc/05/70/08/179057008.db2.gz HNBUUEVBSDIHNG-AWEZNQCLSA-N 2 1 232.371 2.221 20 0 BEADMP Cc1cccc(CC[NH2+]C[C@H]2CCC[N@H+](C)C2)c1 ZINC000054243904 179057984 /nfs/dbraw/zinc/05/79/84/179057984.db2.gz MQHAPRGQPYXYRB-MRXNPFEDSA-N 2 1 246.398 2.469 20 0 BEADMP Cc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1C ZINC000044528080 179074800 /nfs/dbraw/zinc/07/48/00/179074800.db2.gz JYHYNDJJZHCBIO-AWEZNQCLSA-N 2 1 232.371 2.474 20 0 BEADMP C[C@H](Cc1ccsc1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000574904672 346407515 /nfs/dbraw/zinc/40/75/15/346407515.db2.gz YZOKKYGILTUXFR-YPMHNXCESA-N 2 1 238.400 2.411 20 0 BEADMP Cc1cccc(C[N@@H+](C)CC(C)(C)[NH3+])c1 ZINC000042435901 179064845 /nfs/dbraw/zinc/06/48/45/179064845.db2.gz WOMHRPBNPCACFB-UHFFFAOYSA-N 2 1 206.333 2.164 20 0 BEADMP Cc1cccc(C[N@H+](C)CC(C)(C)[NH3+])c1 ZINC000042435901 179064847 /nfs/dbraw/zinc/06/48/47/179064847.db2.gz WOMHRPBNPCACFB-UHFFFAOYSA-N 2 1 206.333 2.164 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000049713004 179078609 /nfs/dbraw/zinc/07/86/09/179078609.db2.gz OGAWICBJXCBKIG-GXTWGEPZSA-N 2 1 218.344 2.307 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000229060496 179080059 /nfs/dbraw/zinc/08/00/59/179080059.db2.gz PZQZIZURPBSUOU-HIFRSBDPSA-N 2 1 232.371 2.412 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1C ZINC000228151531 179081493 /nfs/dbraw/zinc/08/14/93/179081493.db2.gz ZFEKOWXRNGNBGA-DZGCQCFKSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000235915542 179081534 /nfs/dbraw/zinc/08/15/34/179081534.db2.gz IBBDOPVYVFBESL-CQSZACIVSA-N 2 1 218.344 2.166 20 0 BEADMP Cc1cccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000228078139 179083843 /nfs/dbraw/zinc/08/38/43/179083843.db2.gz UKQFXGDBFGXMLS-OCCSQVGLSA-N 2 1 218.344 2.164 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc(C)c1 ZINC000049330201 179091435 /nfs/dbraw/zinc/09/14/35/179091435.db2.gz VOKFSXMYBDGLMB-UHFFFAOYSA-N 2 1 229.327 2.290 20 0 BEADMP Cn1c[nH+]cc1CCC[NH+]1CCC(C)(C)CC1 ZINC000580089737 346518109 /nfs/dbraw/zinc/51/81/09/346518109.db2.gz ZMCGZWPNQULFSW-UHFFFAOYSA-N 2 1 235.375 2.475 20 0 BEADMP C[C@H](CCC1CC1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000186330258 346501613 /nfs/dbraw/zinc/50/16/13/346501613.db2.gz WYEBNRITZBTHBZ-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H](CCC1CC1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000186330223 346501633 /nfs/dbraw/zinc/50/16/33/346501633.db2.gz WYEBNRITZBTHBZ-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000641809365 362767702 /nfs/dbraw/zinc/76/77/02/362767702.db2.gz WQSMRCGGTSETNN-QWRGUYRKSA-N 2 1 240.297 2.180 20 0 BEADMP Cc1cccc(N(C)C[C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000157589140 179116368 /nfs/dbraw/zinc/11/63/68/179116368.db2.gz GJKKIHCYPBBHQA-ZDUSSCGKSA-N 2 1 233.359 2.168 20 0 BEADMP Cc1cccc(N(C)C[C@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000157589140 179116370 /nfs/dbraw/zinc/11/63/70/179116370.db2.gz GJKKIHCYPBBHQA-ZDUSSCGKSA-N 2 1 233.359 2.168 20 0 BEADMP COC[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000345163078 365822216 /nfs/dbraw/zinc/82/22/16/365822216.db2.gz TXPQUMGADNBVOA-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP Cc1cccc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)[nH+]1 ZINC000292786998 179122116 /nfs/dbraw/zinc/12/21/16/179122116.db2.gz MGXCVEUIGXMACI-OAHLLOKOSA-N 2 1 245.370 2.312 20 0 BEADMP Cc1cccc(N2CC[C@]3(C2)CCC[N@H+](C)C3)[nH+]1 ZINC000292786998 179122120 /nfs/dbraw/zinc/12/21/20/179122120.db2.gz MGXCVEUIGXMACI-OAHLLOKOSA-N 2 1 245.370 2.312 20 0 BEADMP Cc1cccc(NCC2=CC[N@H+](C)CC2)[nH+]1 ZINC000274681434 179144009 /nfs/dbraw/zinc/14/40/09/179144009.db2.gz WZQHBZGAMHAJLA-UHFFFAOYSA-N 2 1 217.316 2.064 20 0 BEADMP Cc1cccc(NCC2=CC[N@@H+](C)CC2)[nH+]1 ZINC000274681434 179144011 /nfs/dbraw/zinc/14/40/11/179144011.db2.gz WZQHBZGAMHAJLA-UHFFFAOYSA-N 2 1 217.316 2.064 20 0 BEADMP Cc1cccc(OCC[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000011888581 179166579 /nfs/dbraw/zinc/16/65/79/179166579.db2.gz BHWFXGULFDAUQU-CQSZACIVSA-N 2 1 248.370 2.045 20 0 BEADMP CCC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622004475 370654185 /nfs/dbraw/zinc/65/41/85/370654185.db2.gz PGYLMEFOGKNULV-RWMBFGLXSA-N 2 1 210.365 2.236 20 0 BEADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@H](C)[NH3+])c1 ZINC000336405988 179189354 /nfs/dbraw/zinc/18/93/54/179189354.db2.gz KKCMPZMCZFJCRF-JSGCOSHPSA-N 2 1 218.344 2.479 20 0 BEADMP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](C)[NH3+])c1 ZINC000336405988 179189356 /nfs/dbraw/zinc/18/93/56/179189356.db2.gz KKCMPZMCZFJCRF-JSGCOSHPSA-N 2 1 218.344 2.479 20 0 BEADMP CC[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)C1CC1 ZINC000310041306 347223444 /nfs/dbraw/zinc/22/34/44/347223444.db2.gz YMFXFPJUGDICHE-GHMZBOCLSA-N 2 1 219.332 2.045 20 0 BEADMP Cc1cccc([C@H](C)[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000235332714 179195107 /nfs/dbraw/zinc/19/51/07/179195107.db2.gz HTVYZAUQVDUUAS-DYEKYZERSA-N 2 1 218.344 2.335 20 0 BEADMP Cc1cccc([C@H](C)[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000235332714 179195108 /nfs/dbraw/zinc/19/51/08/179195108.db2.gz HTVYZAUQVDUUAS-DYEKYZERSA-N 2 1 218.344 2.335 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000310393262 347275844 /nfs/dbraw/zinc/27/58/44/347275844.db2.gz DZYVMOQKXHKLOK-FQUUOJAGSA-N 2 1 242.407 2.261 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000310393262 347275846 /nfs/dbraw/zinc/27/58/46/347275846.db2.gz DZYVMOQKXHKLOK-FQUUOJAGSA-N 2 1 242.407 2.261 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000252774305 347434868 /nfs/dbraw/zinc/43/48/68/347434868.db2.gz JRARVLLLAJZYFS-GXTWGEPZSA-N 2 1 248.370 2.173 20 0 BEADMP Cc1ccccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163438135 179274699 /nfs/dbraw/zinc/27/46/99/179274699.db2.gz DVWDWYGCPMUCEO-UKRRQHHQSA-N 2 1 232.371 2.412 20 0 BEADMP Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043327213 179288294 /nfs/dbraw/zinc/28/82/94/179288294.db2.gz MZWRKSPXORDPLV-UKRRQHHQSA-N 2 1 232.371 2.268 20 0 BEADMP CSC1(C[NH2+]CCC[N@@H+](C)CC(C)C)CC1 ZINC000593645378 347926098 /nfs/dbraw/zinc/92/60/98/347926098.db2.gz IBXRKXJDFSJPMO-UHFFFAOYSA-N 2 1 244.448 2.450 20 0 BEADMP C[N@@H+](CCC1CCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000659949757 490113036 /nfs/dbraw/zinc/11/30/36/490113036.db2.gz VYSQWASIBDEMAI-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH+](CCC1CCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000659949757 490113043 /nfs/dbraw/zinc/11/30/43/490113043.db2.gz VYSQWASIBDEMAI-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH+](CCC1CCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000659949757 490113046 /nfs/dbraw/zinc/11/30/46/490113046.db2.gz VYSQWASIBDEMAI-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@H](CSCCF)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000595011413 348163454 /nfs/dbraw/zinc/16/34/54/348163454.db2.gz DQSVNXMWCQQOOM-ZYHUDNBSSA-N 2 1 248.411 2.007 20 0 BEADMP C[C@@H](CSCCF)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000595015443 348186038 /nfs/dbraw/zinc/18/60/38/348186038.db2.gz FEDNYMWKBFDATF-NWDGAFQWSA-N 2 1 248.411 2.009 20 0 BEADMP CCSC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000595100236 348195011 /nfs/dbraw/zinc/19/50/11/348195011.db2.gz QDCHLMZEFHPJME-RYUDHWBXSA-N 2 1 242.432 2.344 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCc2occc21 ZINC000401852665 348203452 /nfs/dbraw/zinc/20/34/52/348203452.db2.gz TZFPEMCFSFBCMM-ZDUSSCGKSA-N 2 1 245.326 2.223 20 0 BEADMP Cc1cccnc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277070688 179376202 /nfs/dbraw/zinc/37/62/02/179376202.db2.gz DQDPZLFHOOZILZ-AWEZNQCLSA-N 2 1 247.386 2.306 20 0 BEADMP Cc1cccnc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277070688 179376207 /nfs/dbraw/zinc/37/62/07/179376207.db2.gz DQDPZLFHOOZILZ-AWEZNQCLSA-N 2 1 247.386 2.306 20 0 BEADMP CCCCOCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049264134 187395907 /nfs/dbraw/zinc/39/59/07/187395907.db2.gz RWTMHOKUUNZINY-PBWFPOADSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]1[C@@H](C)[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000419375008 192128892 /nfs/dbraw/zinc/12/88/92/192128892.db2.gz QVWBSRITSSQMFN-SYQHCUMBSA-N 2 1 224.392 2.447 20 0 BEADMP C[C@H]1[C@@H](C)[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC000419375008 192128893 /nfs/dbraw/zinc/12/88/93/192128893.db2.gz QVWBSRITSSQMFN-SYQHCUMBSA-N 2 1 224.392 2.447 20 0 BEADMP CC(C)(C)[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000257782416 535075455 /nfs/dbraw/zinc/07/54/55/535075455.db2.gz QLPVATVGLHXTPK-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCOC1 ZINC000070463749 490214776 /nfs/dbraw/zinc/21/47/76/490214776.db2.gz ADVDMASHOYPGNI-ZIAGYGMSSA-N 2 1 240.391 2.020 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC2(C(F)F)CC2)CC1(C)C ZINC000623510611 362936692 /nfs/dbraw/zinc/93/66/92/362936692.db2.gz CQSLIHSIKQWPLT-JTQLQIEISA-N 2 1 246.345 2.494 20 0 BEADMP CS[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000598970266 349069548 /nfs/dbraw/zinc/06/95/48/349069548.db2.gz LTJXBYHQSDDLMV-MNOVXSKESA-N 2 1 230.421 2.200 20 0 BEADMP CS[C@@H](C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000598970267 349069572 /nfs/dbraw/zinc/06/95/72/349069572.db2.gz LTJXBYHQSDDLMV-QWRGUYRKSA-N 2 1 230.421 2.200 20 0 BEADMP CC[C@]1(C)CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000399422498 323206046 /nfs/dbraw/zinc/20/60/46/323206046.db2.gz VKEABJNQPGHWIN-QWHCGFSZSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H]([N@@H+](C)C[C@H]1CCC[NH2+]C1)C(C)(C)C ZINC000251028809 349181631 /nfs/dbraw/zinc/18/16/31/349181631.db2.gz HJRDZGYJMGOCRP-NEPJUHHUSA-N 2 1 212.381 2.352 20 0 BEADMP Cc1ccc(F)c(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000251154882 349183769 /nfs/dbraw/zinc/18/37/69/349183769.db2.gz KBKFOPCHMSZXOR-YPMHNXCESA-N 2 1 236.334 2.446 20 0 BEADMP Cc1ccc(F)c(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000251154882 349183772 /nfs/dbraw/zinc/18/37/72/349183772.db2.gz KBKFOPCHMSZXOR-YPMHNXCESA-N 2 1 236.334 2.446 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000249987623 349165495 /nfs/dbraw/zinc/16/54/95/349165495.db2.gz STJUZNVOPFDEQS-YIYPIFLZSA-N 2 1 242.407 2.262 20 0 BEADMP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623521705 362943649 /nfs/dbraw/zinc/94/36/49/362943649.db2.gz CJTQDWCIBSNVHW-UTUOFQBUSA-N 2 1 242.432 2.200 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2C)C1 ZINC000252107119 349196031 /nfs/dbraw/zinc/19/60/31/349196031.db2.gz HEWSJGGECOMNGV-MGPQQGTHSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)(C)CCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000300835213 349357347 /nfs/dbraw/zinc/35/73/47/349357347.db2.gz ILTZZZLQAAWTPN-GFCCVEGCSA-N 2 1 212.381 2.483 20 0 BEADMP CC[NH2+]CC[NH2+]C[C@@H](CC)c1ccccc1 ZINC000161296134 349417284 /nfs/dbraw/zinc/41/72/84/349417284.db2.gz QSIJSAWQXADOLE-CYBMUJFWSA-N 2 1 220.360 2.379 20 0 BEADMP CC(C)C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422730222 192446282 /nfs/dbraw/zinc/44/62/82/192446282.db2.gz JHJSMYNCAOHFPI-TZMCWYRMSA-N 2 1 220.360 2.191 20 0 BEADMP CSCCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000133637609 191042691 /nfs/dbraw/zinc/04/26/91/191042691.db2.gz QIMVZSBPEYEUFG-FRRDWIJNSA-N 2 1 244.448 2.448 20 0 BEADMP Cc1ncc(C[N@H+]2CCC[C@H](CC[NH3+])C2)s1 ZINC000069724472 180144187 /nfs/dbraw/zinc/14/41/87/180144187.db2.gz HACGSOIEGNJFIG-LLVKDONJSA-N 2 1 239.388 2.012 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000275254040 180235613 /nfs/dbraw/zinc/23/56/13/180235613.db2.gz ZACXWAUNFJPQHA-NSHDSACASA-N 2 1 247.346 2.046 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccn(C)c1 ZINC000290377224 180236439 /nfs/dbraw/zinc/23/64/39/180236439.db2.gz HVPGOAZLPQHYNL-UHFFFAOYSA-N 2 1 246.358 2.052 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccn(C)c1 ZINC000290377224 180236440 /nfs/dbraw/zinc/23/64/40/180236440.db2.gz HVPGOAZLPQHYNL-UHFFFAOYSA-N 2 1 246.358 2.052 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cn[nH]c1 ZINC000275254039 180236764 /nfs/dbraw/zinc/23/67/64/180236764.db2.gz ZACXWAUNFJPQHA-LLVKDONJSA-N 2 1 247.346 2.046 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccncc1 ZINC000136311110 180237375 /nfs/dbraw/zinc/23/73/75/180237375.db2.gz ADDKNXQJQPHUBO-UHFFFAOYSA-N 2 1 244.342 2.109 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccncc1 ZINC000136311110 180237376 /nfs/dbraw/zinc/23/73/76/180237376.db2.gz ADDKNXQJQPHUBO-UHFFFAOYSA-N 2 1 244.342 2.109 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H]1C[C@@H]1C ZINC000336678452 180238055 /nfs/dbraw/zinc/23/80/55/180238055.db2.gz BRXCKQQGLJUQNF-WCQYABFASA-N 2 1 221.348 2.217 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C)[C@H]1C ZINC000336691807 180239152 /nfs/dbraw/zinc/23/91/52/180239152.db2.gz CIIKWGOAKQHAPF-NWDGAFQWSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C)[C@H]1C ZINC000336691807 180239155 /nfs/dbraw/zinc/23/91/55/180239155.db2.gz CIIKWGOAKQHAPF-NWDGAFQWSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CC[NH+](C(C)C)C(C)C ZINC000272372924 180246399 /nfs/dbraw/zinc/24/63/99/180246399.db2.gz AYEIINBPKOHVSP-UHFFFAOYSA-N 2 1 209.337 2.310 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[C@@H](C)C1 ZINC000309796640 180246807 /nfs/dbraw/zinc/24/68/07/180246807.db2.gz QICDQAUXGZIYBF-YPMHNXCESA-N 2 1 221.348 2.360 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000336734061 180247687 /nfs/dbraw/zinc/24/76/87/180247687.db2.gz HAOANBPSJIRTKM-NQBHXWOUSA-N 2 1 221.348 2.216 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)C1CCC1 ZINC000357045323 180251501 /nfs/dbraw/zinc/25/15/01/180251501.db2.gz WKQLSMVMMKRFCN-NSHDSACASA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)C1CCC1 ZINC000357045323 180251504 /nfs/dbraw/zinc/25/15/04/180251504.db2.gz WKQLSMVMMKRFCN-NSHDSACASA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC2(CC2)C1 ZINC000364196403 180240604 /nfs/dbraw/zinc/24/06/04/180240604.db2.gz KTCJREBDCCSSOF-UHFFFAOYSA-N 2 1 233.359 2.458 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC2(CC2)C1 ZINC000364196403 180240608 /nfs/dbraw/zinc/24/06/08/180240608.db2.gz KTCJREBDCCSSOF-UHFFFAOYSA-N 2 1 233.359 2.458 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC2CCC1CC2 ZINC000336655144 180262422 /nfs/dbraw/zinc/26/24/22/180262422.db2.gz IKAQLNRLJOTWOY-RUXDESIVSA-N 2 1 233.359 2.360 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000225990028 350393716 /nfs/dbraw/zinc/39/37/16/350393716.db2.gz HDUCVYBMRHFVLC-JOYOIKCWSA-N 2 1 210.296 2.214 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC2(C)C)CC1(C)C ZINC000623537452 362957021 /nfs/dbraw/zinc/95/70/21/362957021.db2.gz YKSCGTVDUBYYDO-NWDGAFQWSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@](C)(C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)OC ZINC000623538711 362958335 /nfs/dbraw/zinc/95/83/35/362958335.db2.gz RIBKIFNNWZBMRI-GXTWGEPZSA-N 2 1 242.407 2.264 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428029317 191109608 /nfs/dbraw/zinc/10/96/08/191109608.db2.gz ABSCJAUJNRPTGF-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000230604163 350605268 /nfs/dbraw/zinc/60/52/68/350605268.db2.gz DRRWBJXDYPQJHY-CABZTGNLSA-N 2 1 210.296 2.214 20 0 BEADMP CC[C@H](C)[NH2+][C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000151966086 191113732 /nfs/dbraw/zinc/11/37/32/191113732.db2.gz HSBFDGTXXTXDQM-RWMBFGLXSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[NH2+][C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000151966086 191113737 /nfs/dbraw/zinc/11/37/37/191113737.db2.gz HSBFDGTXXTXDQM-RWMBFGLXSA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C2(C)CC2)C1 ZINC000151131211 191114633 /nfs/dbraw/zinc/11/46/33/191114633.db2.gz FDIJKVHFAQEVSH-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C1CC(C)(C)C1 ZINC000334620982 350726304 /nfs/dbraw/zinc/72/63/04/350726304.db2.gz HLFXYDNJFSFCJO-ZDUSSCGKSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1SCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623558515 362980888 /nfs/dbraw/zinc/98/08/88/362980888.db2.gz AGILQMCDTQNJIW-QJPTWQEYSA-N 2 1 242.432 2.343 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CC2CCC2)C1 ZINC000252709095 538099573 /nfs/dbraw/zinc/09/95/73/538099573.db2.gz CAFGXXFNXDRBOX-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP CN1CC(C[N@@H+](C)Cc2ccc3[nH]ccc3c2)C1 ZINC000628338628 351285689 /nfs/dbraw/zinc/28/56/89/351285689.db2.gz QSYLGLNSQRIXAS-UHFFFAOYSA-N 2 1 243.354 2.161 20 0 BEADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCCC12CC2)C1CC1 ZINC000572379927 323613255 /nfs/dbraw/zinc/61/32/55/323613255.db2.gz ULHJCPHXDRQPOD-QWHCGFSZSA-N 2 1 222.376 2.249 20 0 BEADMP COc1cccc(C[NH2+][C@H](C[NH3+])CC(C)C)c1 ZINC000414854593 351904966 /nfs/dbraw/zinc/90/49/66/351904966.db2.gz VGBQEXHMISXNAW-ZDUSSCGKSA-N 2 1 236.359 2.158 20 0 BEADMP CC(C)C1(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CC1 ZINC000638089698 351967149 /nfs/dbraw/zinc/96/71/49/351967149.db2.gz QSJGRALWFJAZHO-QWHCGFSZSA-N 2 1 222.376 2.106 20 0 BEADMP CC(C)C1(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CC1 ZINC000638089698 351967152 /nfs/dbraw/zinc/96/71/52/351967152.db2.gz QSJGRALWFJAZHO-QWHCGFSZSA-N 2 1 222.376 2.106 20 0 BEADMP CC[C@](C)(C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)OC ZINC000638118043 351994024 /nfs/dbraw/zinc/99/40/24/351994024.db2.gz VEQBADONWZBICR-MELADBBJSA-N 2 1 242.407 2.216 20 0 BEADMP CC[C@](C)(C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)OC ZINC000638118043 351994025 /nfs/dbraw/zinc/99/40/25/351994025.db2.gz VEQBADONWZBICR-MELADBBJSA-N 2 1 242.407 2.216 20 0 BEADMP CC[C@](C)(C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC000638118043 351994027 /nfs/dbraw/zinc/99/40/27/351994027.db2.gz VEQBADONWZBICR-MELADBBJSA-N 2 1 242.407 2.216 20 0 BEADMP CC[C@](C)(C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)OC ZINC000638118043 351994028 /nfs/dbraw/zinc/99/40/28/351994028.db2.gz VEQBADONWZBICR-MELADBBJSA-N 2 1 242.407 2.216 20 0 BEADMP C[N@@H+](CCOC(C)(C)C)C[C@@H]1CCC[NH+](C)C1 ZINC000152434547 191153050 /nfs/dbraw/zinc/15/30/50/191153050.db2.gz RDSKIKHTCINYKK-CYBMUJFWSA-N 2 1 242.407 2.075 20 0 BEADMP C[NH+](CCOC(C)(C)C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152434547 191153053 /nfs/dbraw/zinc/15/30/53/191153053.db2.gz RDSKIKHTCINYKK-CYBMUJFWSA-N 2 1 242.407 2.075 20 0 BEADMP C[NH+](CCOC(C)(C)C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152434547 191153054 /nfs/dbraw/zinc/15/30/54/191153054.db2.gz RDSKIKHTCINYKK-CYBMUJFWSA-N 2 1 242.407 2.075 20 0 BEADMP C[NH+](C)C1(C[NH2+]CCC[C@@H]2CCO2)CCCC1 ZINC000638306636 352136261 /nfs/dbraw/zinc/13/62/61/352136261.db2.gz MTDQEFNCNSGFDJ-CYBMUJFWSA-N 2 1 240.391 2.020 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000638338242 352158283 /nfs/dbraw/zinc/15/82/83/352158283.db2.gz UOEFKCAMYATAKF-GHMZBOCLSA-N 2 1 234.334 2.350 20 0 BEADMP CC[C@H](C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[NH+]1CCCC1 ZINC000638354489 352169346 /nfs/dbraw/zinc/16/93/46/352169346.db2.gz OALAZNVZTWJOQV-LXTVHRRPSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC1(F)F ZINC000638361025 352171720 /nfs/dbraw/zinc/17/17/20/352171720.db2.gz ZHTKRSCRDQNMFE-NHCYSSNCSA-N 2 1 244.329 2.104 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]CCc2ccc(C)cc2)C1 ZINC000638380687 352190655 /nfs/dbraw/zinc/19/06/55/352190655.db2.gz FDRIFCPBZLKPQA-INIZCTEOSA-N 2 1 246.398 2.469 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CS[C@@H](C)C2)C1 ZINC000638451119 352258228 /nfs/dbraw/zinc/25/82/28/352258228.db2.gz LHTYOAFJIPPION-YNEHKIRRSA-N 2 1 242.432 2.202 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@@](C)(CC)OC)C1 ZINC000638452316 352263328 /nfs/dbraw/zinc/26/33/28/352263328.db2.gz XCLAYRJMVFJIIB-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CC(C)(C)OCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252761151 538102542 /nfs/dbraw/zinc/10/25/42/538102542.db2.gz XHJKFHXMYOGRDK-STQMWFEESA-N 2 1 240.391 2.018 20 0 BEADMP CSc1ccccc1C[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC000414933600 352341309 /nfs/dbraw/zinc/34/13/09/352341309.db2.gz UJLWBWOTTJLVKO-GHMZBOCLSA-N 2 1 238.400 2.276 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC[N@H+]1C ZINC000638711290 352548838 /nfs/dbraw/zinc/54/88/38/352548838.db2.gz YLDGCOPNPRQKIZ-RKQHYHRCSA-N 2 1 222.376 2.105 20 0 BEADMP C[N@@H+](CCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746568 352603430 /nfs/dbraw/zinc/60/34/30/352603430.db2.gz OJQYDPPXUUNCTB-XYPWUTKMSA-N 2 1 244.382 2.444 20 0 BEADMP C[C@H](Cc1ccsc1)[NH2+]C1CC[NH+](C)CC1 ZINC000049154172 352607505 /nfs/dbraw/zinc/60/75/05/352607505.db2.gz TULBINHMCZJLBU-LLVKDONJSA-N 2 1 238.400 2.363 20 0 BEADMP CC(C)[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140952 187805403 /nfs/dbraw/zinc/80/54/03/187805403.db2.gz ZJGOTZHEUXNIAC-NSHDSACASA-N 2 1 210.365 2.247 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000342858664 352878321 /nfs/dbraw/zinc/87/83/21/352878321.db2.gz FKHDCZZSLBMFRF-BETUJISGSA-N 2 1 233.359 2.169 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000342858664 352878323 /nfs/dbraw/zinc/87/83/23/352878323.db2.gz FKHDCZZSLBMFRF-BETUJISGSA-N 2 1 233.359 2.169 20 0 BEADMP C[C@@H](Cc1cccs1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422809716 192476648 /nfs/dbraw/zinc/47/66/48/192476648.db2.gz QGTXZYHWYFYWPY-GVXVVHGQSA-N 2 1 238.400 2.409 20 0 BEADMP C[C@H]([NH2+]CC1(c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422809697 192476154 /nfs/dbraw/zinc/47/61/54/192476154.db2.gz MNVVDSSSBDVCGV-ZFWWWQNUSA-N 2 1 244.382 2.448 20 0 BEADMP CCC([NH3+])(CC)C[NH2+]Cc1ccccc1 ZINC000086814465 535194312 /nfs/dbraw/zinc/19/43/12/535194312.db2.gz KGQGILXQNLNNTM-UHFFFAOYSA-N 2 1 206.333 2.294 20 0 BEADMP CC(C)C1CC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000232539914 353114447 /nfs/dbraw/zinc/11/44/47/353114447.db2.gz ULXBDYQRRGDCIX-AHPWVWPOSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)C1CC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000232539914 353114450 /nfs/dbraw/zinc/11/44/50/353114450.db2.gz ULXBDYQRRGDCIX-AHPWVWPOSA-N 2 1 224.392 2.493 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@H]1C ZINC000049329898 188086649 /nfs/dbraw/zinc/08/66/49/188086649.db2.gz WTBXHJRKGDOPJC-DGCLKSJQSA-N 2 1 221.348 2.360 20 0 BEADMP C[N@@H+]1CCCC12CC[NH+](CCCCF)CC2 ZINC000375690093 188077201 /nfs/dbraw/zinc/07/72/01/188077201.db2.gz OQXQWWZUOCMDAA-UHFFFAOYSA-N 2 1 228.355 2.296 20 0 BEADMP C[N@H+]1CCCC12CC[NH+](CCCCF)CC2 ZINC000375690093 188077203 /nfs/dbraw/zinc/07/72/03/188077203.db2.gz OQXQWWZUOCMDAA-UHFFFAOYSA-N 2 1 228.355 2.296 20 0 BEADMP Cc1ccc(OCC[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000011888590 188105183 /nfs/dbraw/zinc/10/51/83/188105183.db2.gz XGGJKPRMFOWHAD-CQSZACIVSA-N 2 1 248.370 2.045 20 0 BEADMP CC[C@@H]([NH2+][C@@H]1CCCNC1)c1ccccc1 ZINC000051627261 353178606 /nfs/dbraw/zinc/17/86/06/353178606.db2.gz MTSQQNLQGDYCFG-ZIAGYGMSSA-N 2 1 218.344 2.479 20 0 BEADMP CSc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000020524120 188112264 /nfs/dbraw/zinc/11/22/64/188112264.db2.gz BAYVHOHYLQPBJB-UHFFFAOYSA-N 2 1 236.384 2.332 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCSCC2)C1 ZINC000040622655 188118320 /nfs/dbraw/zinc/11/83/20/188118320.db2.gz GBLVZYISLAPOAF-GFCCVEGCSA-N 2 1 242.432 2.202 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cc1cccs1 ZINC000071269755 188130425 /nfs/dbraw/zinc/13/04/25/188130425.db2.gz OCKKSXNVWJSWSW-LLVKDONJSA-N 2 1 249.383 2.474 20 0 BEADMP C(C[N@H+]1CCC[NH2+]CC1)C1CCCCC1 ZINC000049660631 188153347 /nfs/dbraw/zinc/15/33/47/188153347.db2.gz VWSZWJWPMCJLIN-UHFFFAOYSA-N 2 1 210.365 2.252 20 0 BEADMP CC(C)[C@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000226558054 188155618 /nfs/dbraw/zinc/15/56/18/188155618.db2.gz DGFYXAXNYDSJPT-OLZOCXBDSA-N 2 1 210.365 2.106 20 0 BEADMP C(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)CC1CC1 ZINC000161703355 538111664 /nfs/dbraw/zinc/11/16/64/538111664.db2.gz PFODZOTXPQGLFC-UONOGXRCSA-N 2 1 222.376 2.393 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C2CCC2)[C@@H]2CCC[C@H]21 ZINC000308924858 188165495 /nfs/dbraw/zinc/16/54/95/188165495.db2.gz HXXNZNYTIBFCLI-RWMBFGLXSA-N 2 1 208.349 2.001 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000309125143 188165885 /nfs/dbraw/zinc/16/58/85/188165885.db2.gz VZIRBCBKMYQWBS-NWDGAFQWSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000309125143 188165886 /nfs/dbraw/zinc/16/58/86/188165886.db2.gz VZIRBCBKMYQWBS-NWDGAFQWSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000308988267 188165921 /nfs/dbraw/zinc/16/59/21/188165921.db2.gz MUTFPVFMKOZGGM-UMSGYPCISA-N 2 1 212.381 2.349 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000308988267 188165923 /nfs/dbraw/zinc/16/59/23/188165923.db2.gz MUTFPVFMKOZGGM-UMSGYPCISA-N 2 1 212.381 2.349 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H]1C ZINC000309130669 188166177 /nfs/dbraw/zinc/16/61/77/188166177.db2.gz XUKGIPBJGZGTAK-XQQFMLRXSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H]1C ZINC000309130669 188166178 /nfs/dbraw/zinc/16/61/78/188166178.db2.gz XUKGIPBJGZGTAK-XQQFMLRXSA-N 2 1 212.381 2.493 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000309448428 188168244 /nfs/dbraw/zinc/16/82/44/188168244.db2.gz LXEZGRCOXXTEOL-JQWIXIFHSA-N 2 1 221.348 2.216 20 0 BEADMP CC(C)C[C@H](C)C[NH2+]C1CC[NH+](C)CC1 ZINC000300874168 188171498 /nfs/dbraw/zinc/17/14/98/188171498.db2.gz HZEOIOWONWBTEY-LBPRGKRZSA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cccc(O)c1 ZINC000221785073 188180395 /nfs/dbraw/zinc/18/03/95/188180395.db2.gz BKTIBCWLBUWUSH-UHFFFAOYSA-N 2 1 236.359 2.212 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc(O)c1 ZINC000221785073 188180397 /nfs/dbraw/zinc/18/03/97/188180397.db2.gz BKTIBCWLBUWUSH-UHFFFAOYSA-N 2 1 236.359 2.212 20 0 BEADMP C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)[C@H]1C ZINC000339583050 188191696 /nfs/dbraw/zinc/19/16/96/188191696.db2.gz RDMCLDLQNBUMSV-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)[C@H]1C ZINC000339583050 188191700 /nfs/dbraw/zinc/19/17/00/188191700.db2.gz RDMCLDLQNBUMSV-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)C1(C)CC1 ZINC000122321566 324041108 /nfs/dbraw/zinc/04/11/08/324041108.db2.gz POUYLDCWXLJFKR-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)C1(C)CC1 ZINC000122321566 324041110 /nfs/dbraw/zinc/04/11/10/324041110.db2.gz POUYLDCWXLJFKR-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000084517996 538114467 /nfs/dbraw/zinc/11/44/67/538114467.db2.gz DKAIZHSQHYUKNW-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)C[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336268403 188228298 /nfs/dbraw/zinc/22/82/98/188228298.db2.gz IAVNRIPBFNAGDD-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)C[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336268403 188228299 /nfs/dbraw/zinc/22/82/99/188228299.db2.gz IAVNRIPBFNAGDD-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@@H]1C[N@H+](Cc2ccccc2F)CC[C@@H]1[NH3+] ZINC000134104232 538114949 /nfs/dbraw/zinc/11/49/49/538114949.db2.gz NBENLCVWIPWRFC-RISCZKNCSA-N 2 1 236.334 2.385 20 0 BEADMP CC[C@@H]1C[N@@H+](Cc2ccccc2F)CC[C@@H]1[NH3+] ZINC000134104232 538114950 /nfs/dbraw/zinc/11/49/50/538114950.db2.gz NBENLCVWIPWRFC-RISCZKNCSA-N 2 1 236.334 2.385 20 0 BEADMP CCC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CCC1 ZINC000122720800 324054372 /nfs/dbraw/zinc/05/43/72/324054372.db2.gz UAHJAVIUJKEGDE-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)CCC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226468777 363219174 /nfs/dbraw/zinc/21/91/74/363219174.db2.gz OFDNAWPZTLTFAO-CYBMUJFWSA-N 2 1 212.381 2.497 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000336773923 353420623 /nfs/dbraw/zinc/42/06/23/353420623.db2.gz WLNLAMAGYRFKIQ-STQMWFEESA-N 2 1 242.432 2.061 20 0 BEADMP CC[C@@H]1C[C@@H](C)C[N@H+]1CCCn1ccnc1 ZINC000343306096 353524832 /nfs/dbraw/zinc/52/48/32/353524832.db2.gz UPDMOSXZSHPAFQ-CHWSQXEVSA-N 2 1 221.348 2.394 20 0 BEADMP C[C@H]1CSC[C@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000304426324 188431374 /nfs/dbraw/zinc/43/13/74/188431374.db2.gz KJCTVENHWCLTIW-NWDGAFQWSA-N 2 1 242.432 2.202 20 0 BEADMP CCc1nc(C)cc(NC[C@@H](C)[N@@H+](C)C2CC2)n1 ZINC000288006482 353596021 /nfs/dbraw/zinc/59/60/21/353596021.db2.gz SEKOCNTVKJBAPD-LLVKDONJSA-N 2 1 248.374 2.242 20 0 BEADMP CCc1nc(NC[C@@H](C)[N@H+](C)C2CC2)cc(C)[nH+]1 ZINC000288006482 353596024 /nfs/dbraw/zinc/59/60/24/353596024.db2.gz SEKOCNTVKJBAPD-LLVKDONJSA-N 2 1 248.374 2.242 20 0 BEADMP CCc1nc(NC[C@@H](C)[N@@H+](C)C2CC2)cc(C)[nH+]1 ZINC000288006482 353596027 /nfs/dbraw/zinc/59/60/27/353596027.db2.gz SEKOCNTVKJBAPD-LLVKDONJSA-N 2 1 248.374 2.242 20 0 BEADMP CO[C@@H](C)C[N@@H+](CCCn1ccnc1)C(C)C ZINC000343323215 353698358 /nfs/dbraw/zinc/69/83/58/353698358.db2.gz UGLZRJXLFOUZHP-ZDUSSCGKSA-N 2 1 239.363 2.019 20 0 BEADMP CC(C)[C@H]1CC[N@@H+](CCCn2ccnc2)C1 ZINC000343324789 353707541 /nfs/dbraw/zinc/70/75/41/353707541.db2.gz XRCDXRAIRWNYML-ZDUSSCGKSA-N 2 1 221.348 2.251 20 0 BEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000449743393 202017699 /nfs/dbraw/zinc/01/76/99/202017699.db2.gz XFZJFYVDUMPKFH-YJNKXOJESA-N 2 1 234.387 2.249 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H](OC)C1CC1 ZINC000639175801 354207280 /nfs/dbraw/zinc/20/72/80/354207280.db2.gz TUZIPKCOTPGZIG-CQSZACIVSA-N 2 1 242.407 2.075 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]2C2CC2)CC1 ZINC000344303878 354214174 /nfs/dbraw/zinc/21/41/74/354214174.db2.gz WOQDOQYJYXAVAG-HUUCEWRRSA-N 2 1 234.387 2.417 20 0 BEADMP CC[C@](C)(C[N@@H+](C)[C@@H]1CCN(C)C[C@H]1C)OC ZINC000639179544 354272826 /nfs/dbraw/zinc/27/28/26/354272826.db2.gz UCTSGLMUNNYPBY-MGPQQGTHSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@](C)(C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)OC ZINC000639179544 354272828 /nfs/dbraw/zinc/27/28/28/354272828.db2.gz UCTSGLMUNNYPBY-MGPQQGTHSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@](C)(C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)OC ZINC000639179544 354272831 /nfs/dbraw/zinc/27/28/31/354272831.db2.gz UCTSGLMUNNYPBY-MGPQQGTHSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@](C)(C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C)OC ZINC000639179544 354272833 /nfs/dbraw/zinc/27/28/33/354272833.db2.gz UCTSGLMUNNYPBY-MGPQQGTHSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@](C)(C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C)OC ZINC000639179544 354272838 /nfs/dbraw/zinc/27/28/38/354272838.db2.gz UCTSGLMUNNYPBY-MGPQQGTHSA-N 2 1 242.407 2.074 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]CC1CCSCC1 ZINC000639187470 354404263 /nfs/dbraw/zinc/40/42/63/354404263.db2.gz BQVJDGQJCZUNLT-LBPRGKRZSA-N 2 1 244.448 2.448 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]CC1CCSCC1 ZINC000639187470 354404266 /nfs/dbraw/zinc/40/42/66/354404266.db2.gz BQVJDGQJCZUNLT-LBPRGKRZSA-N 2 1 244.448 2.448 20 0 BEADMP CCOC1CC(C[NH2+][C@H](C)C[N@H+](C)C(C)C)C1 ZINC000639191416 354512632 /nfs/dbraw/zinc/51/26/32/354512632.db2.gz JILXNBGEIGDNAB-IYXRBSQSSA-N 2 1 242.407 2.120 20 0 BEADMP CCOC1CC(C[NH2+][C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000639191416 354512635 /nfs/dbraw/zinc/51/26/35/354512635.db2.gz JILXNBGEIGDNAB-IYXRBSQSSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)C1(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC000639202663 354607585 /nfs/dbraw/zinc/60/75/85/354607585.db2.gz AAPDONKNTCRTSY-CQSZACIVSA-N 2 1 236.403 2.450 20 0 BEADMP CC(C)C1(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000639202663 354607586 /nfs/dbraw/zinc/60/75/86/354607586.db2.gz AAPDONKNTCRTSY-CQSZACIVSA-N 2 1 236.403 2.450 20 0 BEADMP CC(C)C1(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000639202663 354607588 /nfs/dbraw/zinc/60/75/88/354607588.db2.gz AAPDONKNTCRTSY-CQSZACIVSA-N 2 1 236.403 2.450 20 0 BEADMP CC1=C(C)C[N@@H+](Cc2cnc(N(C)C)n2C)CC1 ZINC000335109796 354695531 /nfs/dbraw/zinc/69/55/31/354695531.db2.gz ITYFKJHESKPMED-UHFFFAOYSA-N 2 1 248.374 2.028 20 0 BEADMP CC1=C(C)CN(Cc2cnc(N(C)C)n2C)CC1 ZINC000335109796 354695533 /nfs/dbraw/zinc/69/55/33/354695533.db2.gz ITYFKJHESKPMED-UHFFFAOYSA-N 2 1 248.374 2.028 20 0 BEADMP CC[C@H](C)C[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000233995845 363412303 /nfs/dbraw/zinc/41/23/03/363412303.db2.gz UCVOYEGZLKEYEY-RYUDHWBXSA-N 2 1 212.381 2.400 20 0 BEADMP F[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000335169425 354931919 /nfs/dbraw/zinc/93/19/19/354931919.db2.gz KQNDLTASUMAFRC-ZYHUDNBSSA-N 2 1 226.339 2.093 20 0 BEADMP CC(C)C1CC([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000335174022 354940743 /nfs/dbraw/zinc/94/07/43/354940743.db2.gz MUCMFTKQRGXWPY-IKWCTNDRSA-N 2 1 210.365 2.009 20 0 BEADMP C1CCC2(C1)CCC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000335174984 354942735 /nfs/dbraw/zinc/94/27/35/354942735.db2.gz ASJOCCZKVKIZGM-QWHCGFSZSA-N 2 1 222.376 2.441 20 0 BEADMP FC(F)C1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000335182027 355079713 /nfs/dbraw/zinc/07/97/13/355079713.db2.gz QMOQQCNEGWGGFY-ILDUYXDCSA-N 2 1 232.318 2.152 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000335215939 355054206 /nfs/dbraw/zinc/05/42/06/355054206.db2.gz KORIKVQSEDSUNM-ZIAGYGMSSA-N 2 1 241.338 2.204 20 0 BEADMP CC[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000335227118 355068568 /nfs/dbraw/zinc/06/85/68/355068568.db2.gz ZQQOGEUQVOLTEW-GFCCVEGCSA-N 2 1 233.359 2.337 20 0 BEADMP CC[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000335227118 355068570 /nfs/dbraw/zinc/06/85/70/355068570.db2.gz ZQQOGEUQVOLTEW-GFCCVEGCSA-N 2 1 233.359 2.337 20 0 BEADMP Fc1ccc2c(c1)CC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000335238307 355099998 /nfs/dbraw/zinc/09/99/98/355099998.db2.gz FKNFGLQBQZRWEX-GFCCVEGCSA-N 2 1 248.345 2.183 20 0 BEADMP C[C@@H](CCC(F)(F)F)[NH2+]CCc1c[nH+]cn1C ZINC000530354918 324585587 /nfs/dbraw/zinc/58/55/87/324585587.db2.gz HCQRNCTWYICYEL-VIFPVBQESA-N 2 1 249.280 2.283 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCCOc2ccccc21)C1C[NH2+]C1 ZINC000335240706 355146600 /nfs/dbraw/zinc/14/66/00/355146600.db2.gz NNUNCWKCJBZMGS-SMDDNHRTSA-N 2 1 246.354 2.098 20 0 BEADMP C[C@@H]1Cc2ccccc2C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346975491 355209273 /nfs/dbraw/zinc/20/92/73/355209273.db2.gz JEOZXBLISFPACL-KGLIPLIRSA-N 2 1 244.382 2.433 20 0 BEADMP COc1ccccc1[C@@H]1CC[N@H+](CC(C)(C)[NH3+])C1 ZINC000346968967 355174927 /nfs/dbraw/zinc/17/49/27/355174927.db2.gz FNSXEBOLRQSIBC-GFCCVEGCSA-N 2 1 248.370 2.222 20 0 BEADMP COc1ccccc1[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000346968967 355174930 /nfs/dbraw/zinc/17/49/30/355174930.db2.gz FNSXEBOLRQSIBC-GFCCVEGCSA-N 2 1 248.370 2.222 20 0 BEADMP C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CC(C)(C)[NH3+] ZINC000346986922 355187665 /nfs/dbraw/zinc/18/76/65/355187665.db2.gz PXRIRRZUVDYFKL-FZMZJTMJSA-N 2 1 248.370 2.048 20 0 BEADMP C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000346986922 355187668 /nfs/dbraw/zinc/18/76/68/355187668.db2.gz PXRIRRZUVDYFKL-FZMZJTMJSA-N 2 1 248.370 2.048 20 0 BEADMP C[C@@H]1CC[C@]2(CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)C1 ZINC000347000063 355197071 /nfs/dbraw/zinc/19/70/71/355197071.db2.gz YKRJHKIOIJPCIJ-ILXRZTDVSA-N 2 1 236.403 2.498 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@H]2CCCC[C@H]12 ZINC000347000584 355198192 /nfs/dbraw/zinc/19/81/92/355198192.db2.gz GMIODMFGYKLEMG-YUELXQCFSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@](C)(C[NH2+]CCCC[N@@H+](C)C1CC1)OC ZINC000639243874 355232235 /nfs/dbraw/zinc/23/22/35/355232235.db2.gz DUMNFCKJIMAFFU-CQSZACIVSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@H](F)CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000352012707 134036264 /nfs/dbraw/zinc/03/62/64/134036264.db2.gz GIKYMWJKDFUYKH-JSGCOSHPSA-N 2 1 242.382 2.398 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c(C)n1 ZINC000335287595 355256618 /nfs/dbraw/zinc/25/66/18/355256618.db2.gz KNXBXIYFJQRWMY-CQSZACIVSA-N 2 1 247.386 2.176 20 0 BEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@H]1CC1(F)F ZINC000639257179 355301867 /nfs/dbraw/zinc/30/18/67/355301867.db2.gz JYTZGNILVMPYGV-QJPTWQEYSA-N 2 1 246.345 2.352 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000414078744 191426321 /nfs/dbraw/zinc/42/63/21/191426321.db2.gz REOUOEPHOUOBIF-CZXHOFHRSA-N 2 1 235.375 2.462 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCSCC[C@H]1C ZINC000385506789 355340066 /nfs/dbraw/zinc/34/00/66/355340066.db2.gz MKLRRJFWRCSFEE-NEPJUHHUSA-N 2 1 230.421 2.187 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCSCC[C@H]1C ZINC000385506789 355340070 /nfs/dbraw/zinc/34/00/70/355340070.db2.gz MKLRRJFWRCSFEE-NEPJUHHUSA-N 2 1 230.421 2.187 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CS[C@H](C)C1 ZINC000639290059 355444252 /nfs/dbraw/zinc/44/42/52/355444252.db2.gz PTSRBDLLOLSHAA-CHWSQXEVSA-N 2 1 244.448 2.448 20 0 BEADMP CC[NH+]1CCC(Nc2cc3c(c[nH+]2)CCC3)CC1 ZINC000335810691 355495039 /nfs/dbraw/zinc/49/50/39/355495039.db2.gz ZFGGBVVJGKHNRX-UHFFFAOYSA-N 2 1 245.370 2.467 20 0 BEADMP CC(C)[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000414866518 191607707 /nfs/dbraw/zinc/60/77/07/191607707.db2.gz NATUJLVBXAPYSU-RWMBFGLXSA-N 2 1 210.365 2.153 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000414991009 191642844 /nfs/dbraw/zinc/64/28/44/191642844.db2.gz PVADEXZRQZRRRV-NSHDSACASA-N 2 1 226.751 2.475 20 0 BEADMP COc1ccccc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414897650 191619354 /nfs/dbraw/zinc/61/93/54/191619354.db2.gz FDWAISWISZGALL-HNNXBMFYSA-N 2 1 248.370 2.175 20 0 BEADMP CCc1ccccc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000215989554 355640792 /nfs/dbraw/zinc/64/07/92/355640792.db2.gz DVDAHRXMHABHPY-QWHCGFSZSA-N 2 1 232.371 2.418 20 0 BEADMP CCOc1ccccc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000215969101 355644172 /nfs/dbraw/zinc/64/41/72/355644172.db2.gz GWXAQLAIUSSMOU-QWHCGFSZSA-N 2 1 248.370 2.254 20 0 BEADMP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]CCC[C@@H]2CCO2)C1 ZINC000639305351 355667643 /nfs/dbraw/zinc/66/76/43/355667643.db2.gz PPBNEOGFOHCYDL-CHWSQXEVSA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]CCC[C@@H]2CCO2)C1 ZINC000639305351 355667646 /nfs/dbraw/zinc/66/76/46/355667646.db2.gz PPBNEOGFOHCYDL-CHWSQXEVSA-N 2 1 240.391 2.018 20 0 BEADMP CCCC[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000350179932 355621467 /nfs/dbraw/zinc/62/14/67/355621467.db2.gz AXCLGKOCVDKULZ-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP Cc1cc(F)ccc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000215965314 355622202 /nfs/dbraw/zinc/62/22/02/355622202.db2.gz DMRVSFGPYCYWEG-RYUDHWBXSA-N 2 1 236.334 2.303 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CS1 ZINC000639346601 355793374 /nfs/dbraw/zinc/79/33/74/355793374.db2.gz HMKUZJWSOYHEFS-UPJWGTAASA-N 2 1 242.432 2.202 20 0 BEADMP CS[C@@H]1CC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000425372836 191826158 /nfs/dbraw/zinc/82/61/58/191826158.db2.gz UFLLNTWOFWNUBK-RWMBFGLXSA-N 2 1 242.432 2.202 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c(C)c1 ZINC000216042880 355802443 /nfs/dbraw/zinc/80/24/43/355802443.db2.gz GZXLNDPIBQVYBH-UONOGXRCSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1cc(C[NH2+]CCC[NH+]2CCC2)ccc1F ZINC000536598822 355842904 /nfs/dbraw/zinc/84/29/04/355842904.db2.gz WTWFAAOHOJGOSX-UHFFFAOYSA-N 2 1 236.334 2.320 20 0 BEADMP Cc1ccc(C[NH2+]CCc2c[nH+]cn2C)c(F)c1 ZINC000631179702 355843421 /nfs/dbraw/zinc/84/34/21/355843421.db2.gz GTDJDLJJWYRLIZ-UHFFFAOYSA-N 2 1 247.317 2.200 20 0 BEADMP CC[NH+]1CCC([NH2+]C2(C3CC3)CC2)CC1 ZINC000309064263 355989376 /nfs/dbraw/zinc/98/93/76/355989376.db2.gz YKJZLRMEMNQBGL-UHFFFAOYSA-N 2 1 208.349 2.003 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000351423351 355989388 /nfs/dbraw/zinc/98/93/88/355989388.db2.gz VMYYMCYJOFVPGU-LPWJVIDDSA-N 2 1 210.365 2.057 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000351423351 355989393 /nfs/dbraw/zinc/98/93/93/355989393.db2.gz VMYYMCYJOFVPGU-LPWJVIDDSA-N 2 1 210.365 2.057 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000351423351 355989395 /nfs/dbraw/zinc/98/93/95/355989395.db2.gz VMYYMCYJOFVPGU-LPWJVIDDSA-N 2 1 210.365 2.057 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000351423351 355989399 /nfs/dbraw/zinc/98/93/99/355989399.db2.gz VMYYMCYJOFVPGU-LPWJVIDDSA-N 2 1 210.365 2.057 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCF)[C@H](C)C1 ZINC000351866489 356102314 /nfs/dbraw/zinc/10/23/14/356102314.db2.gz XDHSWVOCAXCIEJ-OLZOCXBDSA-N 2 1 230.371 2.398 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCF)[C@H](C)C1 ZINC000351866489 356102316 /nfs/dbraw/zinc/10/23/16/356102316.db2.gz XDHSWVOCAXCIEJ-OLZOCXBDSA-N 2 1 230.371 2.398 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCF)[C@H](C)C1 ZINC000351866489 356102319 /nfs/dbraw/zinc/10/23/19/356102319.db2.gz XDHSWVOCAXCIEJ-OLZOCXBDSA-N 2 1 230.371 2.398 20 0 BEADMP CC[N@@H+](CC[C@H]1CCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000420300996 192207357 /nfs/dbraw/zinc/20/73/57/192207357.db2.gz ABEHWVCBGQZIDF-ZIAGYGMSSA-N 2 1 240.391 2.020 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](CCCc2ccsc2)C1 ZINC000420302787 192206768 /nfs/dbraw/zinc/20/67/68/192206768.db2.gz WVEVTPGXMXLTAI-CYBMUJFWSA-N 2 1 238.400 2.222 20 0 BEADMP CCc1cccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000420302425 192206237 /nfs/dbraw/zinc/20/62/37/192206237.db2.gz GAXPOEPHCSXRPQ-SWLSCSKDSA-N 2 1 232.371 2.418 20 0 BEADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCCC(F)(F)F)C1 ZINC000420319183 192195455 /nfs/dbraw/zinc/19/54/55/192195455.db2.gz RHGGLRLDZHEGDK-JTQLQIEISA-N 2 1 238.297 2.390 20 0 BEADMP FCCCCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420320280 192196073 /nfs/dbraw/zinc/19/60/73/192196073.db2.gz BCVRBFWKCCPIBQ-KBPBESRZSA-N 2 1 242.382 2.448 20 0 BEADMP FCCCCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420320287 192196241 /nfs/dbraw/zinc/19/62/41/192196241.db2.gz BCVRBFWKCCPIBQ-ZIAGYGMSSA-N 2 1 242.382 2.448 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C)nc2C)C1 ZINC000420278997 192198677 /nfs/dbraw/zinc/19/86/77/192198677.db2.gz WVOGJWFMAFINRN-CQSZACIVSA-N 2 1 247.386 2.130 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C)nc2C)C1 ZINC000420278997 192198679 /nfs/dbraw/zinc/19/86/79/192198679.db2.gz WVOGJWFMAFINRN-CQSZACIVSA-N 2 1 247.386 2.130 20 0 BEADMP [NH3+]CC[C@H]1CCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000420321221 192199492 /nfs/dbraw/zinc/19/94/92/192199492.db2.gz ZSZYPPZYGPUWIU-ZIAGYGMSSA-N 2 1 240.391 2.006 20 0 BEADMP CC(C)C[C@@H](C)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000420286473 192200757 /nfs/dbraw/zinc/20/07/57/192200757.db2.gz GRGADVGONLFVGE-DGCLKSJQSA-N 2 1 212.381 2.386 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCc2ccsc2)C1 ZINC000420317251 192213084 /nfs/dbraw/zinc/21/30/84/192213084.db2.gz ZDCHSSBBTFFCLY-DGCLKSJQSA-N 2 1 238.400 2.350 20 0 BEADMP C[N@@H+](CC[C@H]1CCCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000420318415 192213769 /nfs/dbraw/zinc/21/37/69/192213769.db2.gz WBEQBIYRLQOHTG-ZIAGYGMSSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)C1CC([NH3+])C1 ZINC000420331890 192214252 /nfs/dbraw/zinc/21/42/52/192214252.db2.gz MSHPCCSPRHOZGO-RYSNWHEDSA-N 2 1 240.391 2.003 20 0 BEADMP CO[C@@H](C)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C(C)C ZINC000420307606 192208243 /nfs/dbraw/zinc/20/82/43/192208243.db2.gz RNVPFAFZGIYJSK-KBPBESRZSA-N 2 1 242.407 2.121 20 0 BEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCCc2ccncc2)C1 ZINC000420305076 192209294 /nfs/dbraw/zinc/20/92/94/192209294.db2.gz FVSLCVWQSHQTTB-HNNXBMFYSA-N 2 1 247.386 2.075 20 0 BEADMP CSc1ccccc1C[NH2+]CC1([NH3+])CCC1 ZINC000420304448 192209531 /nfs/dbraw/zinc/20/95/31/192209531.db2.gz IWNHROUATQRBGX-UHFFFAOYSA-N 2 1 236.384 2.380 20 0 BEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2C)cc1 ZINC000420306613 192209602 /nfs/dbraw/zinc/20/96/02/192209602.db2.gz QNBBTOONRRNWPM-TZMCWYRMSA-N 2 1 248.370 2.222 20 0 BEADMP C[C@H]([NH3+])C[N@@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000420312767 192210137 /nfs/dbraw/zinc/21/01/37/192210137.db2.gz XEFVUJFYQPJBFM-YDHLFZDLSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000420312767 192210139 /nfs/dbraw/zinc/21/01/39/192210139.db2.gz XEFVUJFYQPJBFM-YDHLFZDLSA-N 2 1 232.371 2.459 20 0 BEADMP Cc1ccc(C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)s1 ZINC000420312850 192210196 /nfs/dbraw/zinc/21/01/96/192210196.db2.gz XKDGAOUKZCQLLB-LBPRGKRZSA-N 2 1 238.400 2.488 20 0 BEADMP CC[C@]1(C)CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420313590 192212106 /nfs/dbraw/zinc/21/21/06/192212106.db2.gz YDEUDSHVFBQQLP-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000420372129 192228945 /nfs/dbraw/zinc/22/89/45/192228945.db2.gz LCYIHQYKIQHGBT-DTWKUNHWSA-N 2 1 212.724 2.338 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000420372131 192230229 /nfs/dbraw/zinc/23/02/29/192230229.db2.gz LCYIHQYKIQHGBT-RKDXNWHRSA-N 2 1 212.724 2.338 20 0 BEADMP CCSCC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420354187 192220136 /nfs/dbraw/zinc/22/01/36/192220136.db2.gz AXSKTQVHOYZOLB-GFCCVEGCSA-N 2 1 230.421 2.237 20 0 BEADMP C[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1[NH3+] ZINC000420357175 192220696 /nfs/dbraw/zinc/22/06/96/192220696.db2.gz DKQXESNQSFZKNR-DGCLKSJQSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]1CCCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420364051 192224554 /nfs/dbraw/zinc/22/45/54/192224554.db2.gz CLTBCXGPIAAXRB-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1[C@@H]1CCCc2ccccc21 ZINC000420362927 192224583 /nfs/dbraw/zinc/22/45/83/192224583.db2.gz ZVFRRNKQNCACIM-TUKIKUTGSA-N 2 1 230.355 2.486 20 0 BEADMP CCC(C)(C)[C@H]1CCC[N@H+]1CCC[NH2+]C ZINC000420363128 192224657 /nfs/dbraw/zinc/22/46/57/192224657.db2.gz BEVLNIVDFSKRQH-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCc1ccccc1 ZINC000420378509 192234141 /nfs/dbraw/zinc/23/41/41/192234141.db2.gz XCIRRQCQZBVYNI-IPYPFGDCSA-N 2 1 232.371 2.205 20 0 BEADMP CCc1ccc(CC[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000420385170 192235737 /nfs/dbraw/zinc/23/57/37/192235737.db2.gz UPPIYCQJAZRWSN-IUODEOHRSA-N 2 1 232.371 2.071 20 0 BEADMP CCc1ccc(CC[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000420385170 192235739 /nfs/dbraw/zinc/23/57/39/192235739.db2.gz UPPIYCQJAZRWSN-IUODEOHRSA-N 2 1 232.371 2.071 20 0 BEADMP [NH3+]C[C@@H]([NH2+]CC[C@@H]1CCCO1)C1CCCCC1 ZINC000420381166 192233705 /nfs/dbraw/zinc/23/37/05/192233705.db2.gz YYGSPAPOVZAERE-UONOGXRCSA-N 2 1 240.391 2.053 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000420381005 192234045 /nfs/dbraw/zinc/23/40/45/192234045.db2.gz XFFGTOQRUBJVPC-RKDXNWHRSA-N 2 1 244.285 2.286 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CCC[C@](C)(O)C2)c(C)n1 ZINC000639556289 356459286 /nfs/dbraw/zinc/45/92/86/356459286.db2.gz YJQMVZVZFAEDFO-HNNXBMFYSA-N 2 1 248.370 2.354 20 0 BEADMP C[C@@H]1Cc2ccccc2C[N@H+]1CCn1ccnc1 ZINC000179463326 366259779 /nfs/dbraw/zinc/25/97/79/366259779.db2.gz KIOHBOCDAOSVJF-CYBMUJFWSA-N 2 1 241.338 2.330 20 0 BEADMP Cc1cc(C)c(C[N@H+]2C[C@H](O)C(C)(C)C2)c(C)n1 ZINC000639618632 356536355 /nfs/dbraw/zinc/53/63/55/356536355.db2.gz QSHQNJJQPFMYDT-AWEZNQCLSA-N 2 1 248.370 2.210 20 0 BEADMP Cc1nccn1C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000336194072 134125349 /nfs/dbraw/zinc/12/53/49/134125349.db2.gz QYCMKNLDGYBLLZ-ZDUSSCGKSA-N 2 1 221.348 2.454 20 0 BEADMP CC[C@@H](C)C[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449783368 202033814 /nfs/dbraw/zinc/03/38/14/202033814.db2.gz OMXYEPAANXLALF-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@@H](C)C[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449783368 202033815 /nfs/dbraw/zinc/03/38/15/202033815.db2.gz OMXYEPAANXLALF-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CCO1 ZINC000449784181 202034710 /nfs/dbraw/zinc/03/47/10/202034710.db2.gz VSDLGHBFFXILKS-QWHCGFSZSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)CCO1 ZINC000449784181 202034711 /nfs/dbraw/zinc/03/47/11/202034711.db2.gz VSDLGHBFFXILKS-QWHCGFSZSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]1C[C@H]1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757073 356663626 /nfs/dbraw/zinc/66/36/26/356663626.db2.gz FANOKISXSYABJS-STQMWFEESA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+]1CCC2(CC[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)CC1 ZINC000639755851 356659094 /nfs/dbraw/zinc/65/90/94/356659094.db2.gz OTACTIKRPBOPCT-QDMKHBRRSA-N 2 1 248.414 2.450 20 0 BEADMP C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1F)C1C[NH2+]C1 ZINC000423134395 192581721 /nfs/dbraw/zinc/58/17/21/192581721.db2.gz RSPVHYAMUYVKMC-SNVBAGLBSA-N 2 1 248.345 2.401 20 0 BEADMP C[N@H+]1CCC[C@H]1CCN1CCC[C@@H]1c1cn[nH]c1 ZINC000639779059 356726570 /nfs/dbraw/zinc/72/65/70/356726570.db2.gz WYRWRDBXFUZIOY-UONOGXRCSA-N 2 1 248.374 2.031 20 0 BEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639779059 356726571 /nfs/dbraw/zinc/72/65/71/356726571.db2.gz WYRWRDBXFUZIOY-UONOGXRCSA-N 2 1 248.374 2.031 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639779059 356726574 /nfs/dbraw/zinc/72/65/74/356726574.db2.gz WYRWRDBXFUZIOY-UONOGXRCSA-N 2 1 248.374 2.031 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639779059 356726577 /nfs/dbraw/zinc/72/65/77/356726577.db2.gz WYRWRDBXFUZIOY-UONOGXRCSA-N 2 1 248.374 2.031 20 0 BEADMP CCOCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166221716 538616219 /nfs/dbraw/zinc/61/62/19/538616219.db2.gz SFEZTFSMGHFBTK-ZIAGYGMSSA-N 2 1 240.391 2.020 20 0 BEADMP Cc1cc(N(C)CCC[NH+]2CCCC2)nc(C)[nH+]1 ZINC000281853261 538710326 /nfs/dbraw/zinc/71/03/26/538710326.db2.gz MLCMQTMCJGVSIF-UHFFFAOYSA-N 2 1 248.374 2.016 20 0 BEADMP CCc1cnccc1[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000359329143 356887978 /nfs/dbraw/zinc/88/79/78/356887978.db2.gz ITHGPQNGZREVEI-GFCCVEGCSA-N 2 1 247.386 2.389 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261545997 535350518 /nfs/dbraw/zinc/35/05/18/535350518.db2.gz KMKSIBKBLSXORL-CYBMUJFWSA-N 2 1 212.381 2.483 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000261554484 535350531 /nfs/dbraw/zinc/35/05/31/535350531.db2.gz UGIBISMUQVEHSQ-RYUDHWBXSA-N 2 1 212.381 2.482 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000261548171 535351057 /nfs/dbraw/zinc/35/10/57/535351057.db2.gz NFKHWXDREUKDDK-GFCCVEGCSA-N 2 1 212.381 2.354 20 0 BEADMP CCc1ccc([C@H](C)[NH2+]CC[C@H](C)[NH3+])o1 ZINC000423222740 192632702 /nfs/dbraw/zinc/63/27/02/192632702.db2.gz CHYLFEATURDOPW-UWVGGRQHSA-N 2 1 210.321 2.230 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCCCCC1 ZINC000389754971 357026695 /nfs/dbraw/zinc/02/66/95/357026695.db2.gz OOMBSBQYECPAOT-WCQYABFASA-N 2 1 210.365 2.297 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CC1(C)CC1 ZINC000389962382 357075133 /nfs/dbraw/zinc/07/51/33/357075133.db2.gz WHCSFURLPJRARC-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CC1(C)CC1 ZINC000389962382 357075134 /nfs/dbraw/zinc/07/51/34/357075134.db2.gz WHCSFURLPJRARC-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000304584634 357169531 /nfs/dbraw/zinc/16/95/31/357169531.db2.gz ONWAJBXVDWSEJR-IACUBPJLSA-N 2 1 222.376 2.249 20 0 BEADMP CCC(C)(C)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261535051 535355081 /nfs/dbraw/zinc/35/50/81/535355081.db2.gz NPAIHMJSYRRMLS-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc2c(c1)COC2 ZINC000423265895 192659567 /nfs/dbraw/zinc/65/95/67/192659567.db2.gz BHIBIMSRXBJOTQ-ZUZCIYMTSA-N 2 1 246.354 2.105 20 0 BEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)[C@H]1CCCO1 ZINC000423271195 192665475 /nfs/dbraw/zinc/66/54/75/192665475.db2.gz XMYQLDCIPYARTN-IACUBPJLSA-N 2 1 240.391 2.051 20 0 BEADMP C1[C@@H]2[C@H]1CCC[C@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000393406652 357307633 /nfs/dbraw/zinc/30/76/33/357307633.db2.gz VRZFRUNDYHTOSD-VYDRJRHOSA-N 2 1 234.387 2.391 20 0 BEADMP C1[C@@H]2[C@H]1CCC[C@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000393406652 357307639 /nfs/dbraw/zinc/30/76/39/357307639.db2.gz VRZFRUNDYHTOSD-VYDRJRHOSA-N 2 1 234.387 2.391 20 0 BEADMP COC1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000130100425 357318725 /nfs/dbraw/zinc/31/87/25/357318725.db2.gz XKDSCBMZPWYJES-ZIHBUVQPSA-N 2 1 240.391 2.016 20 0 BEADMP COC1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000130100425 357318729 /nfs/dbraw/zinc/31/87/29/357318729.db2.gz XKDSCBMZPWYJES-ZIHBUVQPSA-N 2 1 240.391 2.016 20 0 BEADMP Cc1cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])c(C)s1 ZINC000582952021 357444145 /nfs/dbraw/zinc/44/41/45/357444145.db2.gz BPWDKRUKRKFMDT-BDAKNGLRSA-N 2 1 212.362 2.190 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CC(C)(C)C1 ZINC000395193026 357417161 /nfs/dbraw/zinc/41/71/61/357417161.db2.gz ZCSATZOTOPTCNG-MDZLAQPJSA-N 2 1 224.392 2.493 20 0 BEADMP Cc1[nH+]cn(Cc2ccc3c(c2)C[NH2+]CC3)c1C ZINC000583087040 357469235 /nfs/dbraw/zinc/46/92/35/357469235.db2.gz FSQXRIYCRBFCPQ-UHFFFAOYSA-N 2 1 241.338 2.194 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2(C)CC2)C1 ZINC000584386855 357480882 /nfs/dbraw/zinc/48/08/82/357480882.db2.gz FZZBCXDQRBYDAA-LBPRGKRZSA-N 2 1 210.365 2.060 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC2(C)CC2)C1 ZINC000584386855 357480884 /nfs/dbraw/zinc/48/08/84/357480884.db2.gz FZZBCXDQRBYDAA-LBPRGKRZSA-N 2 1 210.365 2.060 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2(C)CC2)C1 ZINC000584386855 357480890 /nfs/dbraw/zinc/48/08/90/357480890.db2.gz FZZBCXDQRBYDAA-LBPRGKRZSA-N 2 1 210.365 2.060 20 0 BEADMP CC(C)CCOCC[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000063196353 357593418 /nfs/dbraw/zinc/59/34/18/357593418.db2.gz OVUSHEOADZIKRU-KGLIPLIRSA-N 2 1 242.407 2.251 20 0 BEADMP CC(C)CCOCC[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000063196353 357593423 /nfs/dbraw/zinc/59/34/23/357593423.db2.gz OVUSHEOADZIKRU-KGLIPLIRSA-N 2 1 242.407 2.251 20 0 BEADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccoc1 ZINC000583257761 357734217 /nfs/dbraw/zinc/73/42/17/357734217.db2.gz ZENYQWPKBVJGNP-CMPLNLGQSA-N 2 1 208.305 2.072 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000191545763 357784801 /nfs/dbraw/zinc/78/48/01/357784801.db2.gz GGCUZXIREOCWQQ-OKILXGFUSA-N 2 1 224.392 2.450 20 0 BEADMP Cc1ccsc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168519344 134225536 /nfs/dbraw/zinc/22/55/36/134225536.db2.gz PMGFEGCVGCHVNX-MNOVXSKESA-N 2 1 224.373 2.226 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000168501527 134224646 /nfs/dbraw/zinc/22/46/46/134224646.db2.gz ZFGHCPBRMVQXCP-MNOVXSKESA-N 2 1 224.373 2.226 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC2(C)C)CC1(C)C ZINC000623417045 357868730 /nfs/dbraw/zinc/86/87/30/357868730.db2.gz QKKMFYJFBRKAKS-VXGBXAGGSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCc2ccccc2)C1 ZINC000235438507 357869416 /nfs/dbraw/zinc/86/94/16/357869416.db2.gz SHWVVQUCWWAYNM-HNNXBMFYSA-N 2 1 232.371 2.290 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)CC2CC2)C1 ZINC000229692405 491119249 /nfs/dbraw/zinc/11/92/49/491119249.db2.gz HRPADKIECJKYNH-TZMCWYRMSA-N 2 1 224.392 2.495 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)o1 ZINC000168722721 134247216 /nfs/dbraw/zinc/24/72/16/134247216.db2.gz MHUJINZTCFBGGP-NEPJUHHUSA-N 2 1 222.332 2.381 20 0 BEADMP CCC1([NH+](C)C)CC[NH+](CCCF)CC1 ZINC000640017323 358080764 /nfs/dbraw/zinc/08/07/64/358080764.db2.gz MODBQIRMWXBIMK-UHFFFAOYSA-N 2 1 216.344 2.152 20 0 BEADMP CCOC[C@@H]1CCCC[N@@H+]1C[C@H]([NH3+])CC(C)C ZINC000313209143 491120601 /nfs/dbraw/zinc/12/06/01/491120601.db2.gz GRCNVRYAYXFQGG-KGLIPLIRSA-N 2 1 242.407 2.251 20 0 BEADMP CCOC[C@@H]1CCCC[N@H+]1C[C@H]([NH3+])CC(C)C ZINC000313209143 491120603 /nfs/dbraw/zinc/12/06/03/491120603.db2.gz GRCNVRYAYXFQGG-KGLIPLIRSA-N 2 1 242.407 2.251 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C[C@@H]1CCSC1 ZINC000564324968 325372351 /nfs/dbraw/zinc/37/23/51/325372351.db2.gz KDNPWEMBWBRNTP-AGIUHOORSA-N 2 1 242.432 2.012 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C[C@@H]1CCSC1 ZINC000564324968 325372352 /nfs/dbraw/zinc/37/23/52/325372352.db2.gz KDNPWEMBWBRNTP-AGIUHOORSA-N 2 1 242.432 2.012 20 0 BEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C[C@@H]1CCSC1 ZINC000564324968 325372355 /nfs/dbraw/zinc/37/23/55/325372355.db2.gz KDNPWEMBWBRNTP-AGIUHOORSA-N 2 1 242.432 2.012 20 0 BEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C[C@@H]1CCSC1 ZINC000564324968 325372357 /nfs/dbraw/zinc/37/23/57/325372357.db2.gz KDNPWEMBWBRNTP-AGIUHOORSA-N 2 1 242.432 2.012 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1F ZINC000228337012 358373682 /nfs/dbraw/zinc/37/36/82/358373682.db2.gz ASAXKAWYBSHHAV-YPMHNXCESA-N 2 1 236.334 2.446 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1F ZINC000228337012 358373684 /nfs/dbraw/zinc/37/36/84/358373684.db2.gz ASAXKAWYBSHHAV-YPMHNXCESA-N 2 1 236.334 2.446 20 0 BEADMP CSCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000173786622 134277456 /nfs/dbraw/zinc/27/74/56/134277456.db2.gz DMLIDCUXROEJKB-ZDUSSCGKSA-N 2 1 242.432 2.157 20 0 BEADMP C[C@@H]1C[C@@H](C)[NH+]1CC[C@@H]1CCCC[N@H+]1C ZINC000547769860 325391637 /nfs/dbraw/zinc/39/16/37/325391637.db2.gz UQGAMNQTQFQKPM-UPJWGTAASA-N 2 1 210.365 2.344 20 0 BEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCc1ccccc1 ZINC000131486606 358678524 /nfs/dbraw/zinc/67/85/24/358678524.db2.gz AOEROUQKYHJYKH-HIFRSBDPSA-N 2 1 232.371 2.288 20 0 BEADMP Cc1ccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)nc1 ZINC000133408625 358754181 /nfs/dbraw/zinc/75/41/81/358754181.db2.gz CKHZAGPLHBKHNC-AWEZNQCLSA-N 2 1 235.375 2.195 20 0 BEADMP Cc1ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)nc1 ZINC000133408625 358754185 /nfs/dbraw/zinc/75/41/85/358754185.db2.gz CKHZAGPLHBKHNC-AWEZNQCLSA-N 2 1 235.375 2.195 20 0 BEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000050271880 358721958 /nfs/dbraw/zinc/72/19/58/358721958.db2.gz HRJRAXMZPKKNSR-UHFFFAOYSA-N 2 1 222.376 2.393 20 0 BEADMP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000134735552 358803901 /nfs/dbraw/zinc/80/39/01/358803901.db2.gz VOOIPVWPMDCIDY-GFCCVEGCSA-N 2 1 210.365 2.344 20 0 BEADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000134735552 358803905 /nfs/dbraw/zinc/80/39/05/358803905.db2.gz VOOIPVWPMDCIDY-GFCCVEGCSA-N 2 1 210.365 2.344 20 0 BEADMP FCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000134870324 358809243 /nfs/dbraw/zinc/80/92/43/358809243.db2.gz VIKBEPBGGQMULS-JSGCOSHPSA-N 2 1 240.366 2.295 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C2CCCC2)C1 ZINC000054080426 358851250 /nfs/dbraw/zinc/85/12/50/358851250.db2.gz LZAIZORQRWKKMC-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)CC[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000309628029 358949441 /nfs/dbraw/zinc/94/94/41/358949441.db2.gz QPSUZWMNSGBUTH-GFCCVEGCSA-N 2 1 223.364 2.377 20 0 BEADMP CC(C)CC[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000309628035 358949471 /nfs/dbraw/zinc/94/94/71/358949471.db2.gz QPSUZWMNSGBUTH-LBPRGKRZSA-N 2 1 223.364 2.377 20 0 BEADMP CSc1ccccc1[C@@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423320191 192704592 /nfs/dbraw/zinc/70/45/92/192704592.db2.gz MDSMRUGUSWQAOU-SNVBAGLBSA-N 2 1 236.384 2.279 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCF)[C@@H](C)C1 ZINC000247348475 359214919 /nfs/dbraw/zinc/21/49/19/359214919.db2.gz XZJBOUXEAOGVHO-RYUDHWBXSA-N 2 1 216.344 2.008 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCF)[C@@H](C)C1 ZINC000247348475 359214922 /nfs/dbraw/zinc/21/49/22/359214922.db2.gz XZJBOUXEAOGVHO-RYUDHWBXSA-N 2 1 216.344 2.008 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCF)[C@@H](C)C1 ZINC000247348475 359214924 /nfs/dbraw/zinc/21/49/24/359214924.db2.gz XZJBOUXEAOGVHO-RYUDHWBXSA-N 2 1 216.344 2.008 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCSC2)CC1(C)C ZINC000623439387 359332761 /nfs/dbraw/zinc/33/27/61/359332761.db2.gz GRPPWZBOXXFELC-VXGBXAGGSA-N 2 1 242.432 2.344 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]C2(C3CC3)CC2)CC1(C)C ZINC000623449460 359342370 /nfs/dbraw/zinc/34/23/70/359342370.db2.gz WNRDDENAGARSIJ-GFCCVEGCSA-N 2 1 222.376 2.391 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](OC)C2)CC1 ZINC000223816914 491140602 /nfs/dbraw/zinc/14/06/02/491140602.db2.gz LBYXVLIOFXMVBU-KGLIPLIRSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CCS[C@H](C)CC2)CC[NH2+]1 ZINC000379545547 359541624 /nfs/dbraw/zinc/54/16/24/359541624.db2.gz YZESPCWETWGNNT-UPJWGTAASA-N 2 1 242.432 2.202 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)C[NH+](CC)CC ZINC000309168667 491146083 /nfs/dbraw/zinc/14/60/83/491146083.db2.gz KFTNVWDBCXQEQF-YNEHKIRRSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H](c1ccccc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088249780 359942839 /nfs/dbraw/zinc/94/28/39/359942839.db2.gz BCXCOULHNIDEGW-ZNMIVQPWSA-N 2 1 230.355 2.289 20 0 BEADMP COc1ccccc1C[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000089749239 360037248 /nfs/dbraw/zinc/03/72/48/360037248.db2.gz LSWBSPSXKBVGFI-CYBMUJFWSA-N 2 1 248.370 2.127 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000309347140 491148206 /nfs/dbraw/zinc/14/82/06/491148206.db2.gz LZQRZICXZAOHLR-MRVWCRGKSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000309347140 491148207 /nfs/dbraw/zinc/14/82/07/491148207.db2.gz LZQRZICXZAOHLR-MRVWCRGKSA-N 2 1 224.392 2.493 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000309418757 491148918 /nfs/dbraw/zinc/14/89/18/491148918.db2.gz ACZVONPBKQUERC-BNOWGMLFSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC000623481309 360444011 /nfs/dbraw/zinc/44/40/11/360444011.db2.gz ZLLZYFCKQAVUSA-UPJWGTAASA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](C/C=C/Cl)C[C@@H]1C[NH3+] ZINC000306546858 360417772 /nfs/dbraw/zinc/41/77/72/360417772.db2.gz AQJLGTGIJXHSEB-QDVNPKLESA-N 2 1 216.756 2.044 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)CC1CC1 ZINC000133277914 491149375 /nfs/dbraw/zinc/14/93/75/491149375.db2.gz ZZYOZNOFGJINJC-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H](CC1CCC1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000309520312 491149871 /nfs/dbraw/zinc/14/98/71/491149871.db2.gz ZUZGMZOPDKTBHU-GFCCVEGCSA-N 2 1 222.376 2.417 20 0 BEADMP CC[C@H](C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156086660 360947350 /nfs/dbraw/zinc/94/73/50/360947350.db2.gz YVGHZDKCZGZPLW-RWMBFGLXSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C)CC[N@H+]1C ZINC000156096162 360948008 /nfs/dbraw/zinc/94/80/08/360948008.db2.gz FBQZSTGRTXPTSI-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H](CC1CCC1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000133406559 491153319 /nfs/dbraw/zinc/15/33/19/491153319.db2.gz HERDWVCQHCTQSK-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000629391150 361045577 /nfs/dbraw/zinc/04/55/77/361045577.db2.gz WQKHTJXPJFUAQO-HRCADAONSA-N 2 1 244.382 2.274 20 0 BEADMP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629407073 361054799 /nfs/dbraw/zinc/05/47/99/361054799.db2.gz WKHGEHLHGDBWGZ-VNHYZAJKSA-N 2 1 232.371 2.348 20 0 BEADMP CCCC[C@H](COC)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000629521593 361117690 /nfs/dbraw/zinc/11/76/90/361117690.db2.gz VTDVVZZIXYIBGB-OLZOCXBDSA-N 2 1 240.391 2.066 20 0 BEADMP COc1cccc2c1C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000629500506 361101281 /nfs/dbraw/zinc/10/12/81/361101281.db2.gz CWWOJHUXALNPBL-UHFFFAOYSA-N 2 1 246.354 2.010 20 0 BEADMP CCC[C@H](C)CCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000629511421 361106217 /nfs/dbraw/zinc/10/62/17/361106217.db2.gz ILYMBJYWXVFXCP-QWHCGFSZSA-N 2 1 212.381 2.483 20 0 BEADMP CCO[C@@H](C[N@@H+](C)CC[C@H]([NH3+])C(C)C)C1CC1 ZINC000629512947 361107581 /nfs/dbraw/zinc/10/75/81/361107581.db2.gz JQKOFCYDGHHODR-KBPBESRZSA-N 2 1 242.407 2.107 20 0 BEADMP Cc1nc(C(C)C)ccc1C[N@H+](C)CCC[NH3+] ZINC000629516210 361110432 /nfs/dbraw/zinc/11/04/32/361110432.db2.gz ZTNBQEMFEUOVTB-UHFFFAOYSA-N 2 1 235.375 2.294 20 0 BEADMP Cc1nc(C(C)C)ccc1C[N@@H+](C)CCC[NH3+] ZINC000629516210 361110433 /nfs/dbraw/zinc/11/04/33/361110433.db2.gz ZTNBQEMFEUOVTB-UHFFFAOYSA-N 2 1 235.375 2.294 20 0 BEADMP CCC[C@@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)OCC ZINC000629515884 361110447 /nfs/dbraw/zinc/11/04/47/361110447.db2.gz VTXDUMGRXNGFCR-HZSPNIEDSA-N 2 1 242.407 2.312 20 0 BEADMP C1CC1C1([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000309697899 491154611 /nfs/dbraw/zinc/15/46/11/491154611.db2.gz RXSVCAUIELJUKA-OLZOCXBDSA-N 2 1 220.360 2.145 20 0 BEADMP Cc1nccn1CCC[N@H+](C)[C@H](C)C1CC1 ZINC000579070214 366703311 /nfs/dbraw/zinc/70/33/11/366703311.db2.gz IPENVZMBPXVJOL-LLVKDONJSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C1CC1 ZINC000579070214 366703314 /nfs/dbraw/zinc/70/33/14/366703314.db2.gz IPENVZMBPXVJOL-LLVKDONJSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C1CC1 ZINC000579070214 366703321 /nfs/dbraw/zinc/70/33/21/366703321.db2.gz IPENVZMBPXVJOL-LLVKDONJSA-N 2 1 221.348 2.312 20 0 BEADMP C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1c[nH+]ccc1N ZINC000622043708 370675751 /nfs/dbraw/zinc/67/57/51/370675751.db2.gz ILPIZIVILZUQIH-BDAKNGLRSA-N 2 1 241.285 2.190 20 0 BEADMP [NH3+]C1(C[NH2+][C@@H]2CCCNc3ccccc32)CCC1 ZINC000333347962 181332205 /nfs/dbraw/zinc/33/22/05/181332205.db2.gz ZRRVQERFDAAHIB-CQSZACIVSA-N 2 1 245.370 2.404 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCCC12CC2 ZINC000629554891 361436686 /nfs/dbraw/zinc/43/66/86/361436686.db2.gz OKUJOPRTFUGYPO-AGIUHOORSA-N 2 1 222.376 2.154 20 0 BEADMP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H](C)C1(F)F ZINC000629554303 361439683 /nfs/dbraw/zinc/43/96/83/361439683.db2.gz ZINSNLOLPXMIFK-TUAOUCFPSA-N 2 1 246.345 2.209 20 0 BEADMP C[C@H]1C[C@H]1C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000629544041 361417662 /nfs/dbraw/zinc/41/76/62/361417662.db2.gz DAQVGCIEWFGFJB-ZOBORPQBSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)C[NH2+]1 ZINC000629542551 361419450 /nfs/dbraw/zinc/41/94/50/361419450.db2.gz FPWFSIMJMDYYME-YXCITZCRSA-N 2 1 222.376 2.295 20 0 BEADMP C[NH2+]CCOCC[N@@H+](C)CCC1CCCCC1 ZINC000629570288 361459443 /nfs/dbraw/zinc/45/94/43/361459443.db2.gz BRNXEHMKLUKURW-UHFFFAOYSA-N 2 1 242.407 2.125 20 0 BEADMP C[C@@H]1CCC[C@@H](CC[N@@H+](C)CCOCC[NH3+])C1 ZINC000629576870 361467615 /nfs/dbraw/zinc/46/76/15/361467615.db2.gz DRTBLMQPXGDSLA-KGLIPLIRSA-N 2 1 242.407 2.110 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629584858 361473944 /nfs/dbraw/zinc/47/39/44/361473944.db2.gz VZJUVPWAJPSJDZ-IYBDPMFKSA-N 2 1 244.382 2.426 20 0 BEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCCCCF)C2 ZINC000629595234 361482437 /nfs/dbraw/zinc/48/24/37/361482437.db2.gz OIGAZKDZNRPLTQ-BETUJISGSA-N 2 1 228.355 2.058 20 0 BEADMP C[C@H](c1ccncc1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629594159 361485455 /nfs/dbraw/zinc/48/54/55/361485455.db2.gz LLJAEUULDWRQCY-YUELXQCFSA-N 2 1 245.370 2.074 20 0 BEADMP C[C@H](c1ccncc1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629594159 361485462 /nfs/dbraw/zinc/48/54/62/361485462.db2.gz LLJAEUULDWRQCY-YUELXQCFSA-N 2 1 245.370 2.074 20 0 BEADMP CC[N@H+](CC[NH3+])CCCc1c(F)cccc1F ZINC000629558222 361452983 /nfs/dbraw/zinc/45/29/83/361452983.db2.gz UBKOVWHWORQMCS-UHFFFAOYSA-N 2 1 242.313 2.178 20 0 BEADMP CC[N@@H+](CC[NH3+])CCCc1c(F)cccc1F ZINC000629558222 361452985 /nfs/dbraw/zinc/45/29/85/361452985.db2.gz UBKOVWHWORQMCS-UHFFFAOYSA-N 2 1 242.313 2.178 20 0 BEADMP CC[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562477 361456127 /nfs/dbraw/zinc/45/61/27/361456127.db2.gz NJTGPKHQWSSJMX-IVZWLZJFSA-N 2 1 238.297 2.244 20 0 BEADMP CS[C@H]1CC[N@@H+](CCCn2ccnc2C)C1 ZINC000448545863 201198294 /nfs/dbraw/zinc/19/82/94/201198294.db2.gz NTMPGAUZMUNMNO-LBPRGKRZSA-N 2 1 239.388 2.019 20 0 BEADMP CS[C@H]1CC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000448545863 201198298 /nfs/dbraw/zinc/19/82/98/201198298.db2.gz NTMPGAUZMUNMNO-LBPRGKRZSA-N 2 1 239.388 2.019 20 0 BEADMP CS[C@H]1CC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000448545863 201198299 /nfs/dbraw/zinc/19/82/99/201198299.db2.gz NTMPGAUZMUNMNO-LBPRGKRZSA-N 2 1 239.388 2.019 20 0 BEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]CCCc1ccc(C)nc1 ZINC000629655551 361560440 /nfs/dbraw/zinc/56/04/40/361560440.db2.gz ZGUVSXJCZBJQRF-LSDHHAIUSA-N 2 1 247.386 2.053 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C(C)(C)C ZINC000152459578 201199990 /nfs/dbraw/zinc/19/99/90/201199990.db2.gz VGHMXPUWMHNNPU-VXGBXAGGSA-N 2 1 224.392 2.495 20 0 BEADMP Cc1ccc(CCCN[C@H]2CC[C@@H](C)[NH2+]C2)cn1 ZINC000629659774 361564204 /nfs/dbraw/zinc/56/42/04/361564204.db2.gz GTQPDJHTPKMLHH-HIFRSBDPSA-N 3 1 247.386 2.053 20 0 BEADMP C[C@H]1C[C@H](C[N@H+]2CCCC(F)(F)CC2)CC[NH2+]1 ZINC000629652790 361551529 /nfs/dbraw/zinc/55/15/29/361551529.db2.gz BIOVLGAXYBWQNA-NWDGAFQWSA-N 2 1 246.345 2.496 20 0 BEADMP CC1(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCC1 ZINC000629661479 361594870 /nfs/dbraw/zinc/59/48/70/361594870.db2.gz BJETUEGLORQACW-OKILXGFUSA-N 2 1 222.376 2.108 20 0 BEADMP C[NH2+]CCC[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000435871035 201289972 /nfs/dbraw/zinc/28/99/72/201289972.db2.gz IRUIXMHUCQNRFA-UHFFFAOYSA-N 2 1 248.370 2.214 20 0 BEADMP Cc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cn1 ZINC000155337203 201323283 /nfs/dbraw/zinc/32/32/83/201323283.db2.gz QYHPQBGXHRUWCN-UHFFFAOYSA-N 2 1 235.375 2.067 20 0 BEADMP Cc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cn1 ZINC000155448416 201334744 /nfs/dbraw/zinc/33/47/44/201334744.db2.gz IJHBAMRFASDFDT-CYBMUJFWSA-N 2 1 247.386 2.212 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC2(C)C)C[NH2+]1 ZINC000398955075 364277427 /nfs/dbraw/zinc/27/74/27/364277427.db2.gz HEKRGNVBYBPGQN-WOPDTQHZSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C1CCCC1 ZINC000398952621 364278586 /nfs/dbraw/zinc/27/85/86/364278586.db2.gz FHDLECDDSUYUDF-NTZNESFSSA-N 2 1 210.365 2.295 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000579554005 366866786 /nfs/dbraw/zinc/86/67/86/366866786.db2.gz STJUZNVOPFDEQS-MQYQWHSLSA-N 2 1 242.407 2.262 20 0 BEADMP C[C@@H](Cc1ccsc1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000398997801 364667129 /nfs/dbraw/zinc/66/71/29/364667129.db2.gz QKUXDSBSRWLNCU-MDZLAQPJSA-N 2 1 238.400 2.409 20 0 BEADMP C[C@H](Cc1ccsc1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000398997811 364667450 /nfs/dbraw/zinc/66/74/50/364667450.db2.gz QKUXDSBSRWLNCU-WZRBSPASSA-N 2 1 238.400 2.409 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(C)CC2)[C@@H](C)C1 ZINC000573633585 364880099 /nfs/dbraw/zinc/88/00/99/364880099.db2.gz HDMHDWVVFURXKB-STQMWFEESA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(C)CC2)[C@@H](C)C1 ZINC000573633585 364880106 /nfs/dbraw/zinc/88/01/06/364880106.db2.gz HDMHDWVVFURXKB-STQMWFEESA-N 2 1 224.392 2.449 20 0 BEADMP [NH3+]CCCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000036826507 181376306 /nfs/dbraw/zinc/37/63/06/181376306.db2.gz WRNWAXPGEMRLNZ-STQMWFEESA-N 2 1 210.365 2.380 20 0 BEADMP [NH3+]CCC[N@H+](Cc1cccnc1)CC1CCCC1 ZINC000352504614 181379502 /nfs/dbraw/zinc/37/95/02/181379502.db2.gz SGAGOKXCLDYJSS-UHFFFAOYSA-N 2 1 247.386 2.423 20 0 BEADMP Cc1ccc(C[C@H]2CCC[N@H+](CC[NH3+])C2)cc1 ZINC000574859403 365160201 /nfs/dbraw/zinc/16/02/01/365160201.db2.gz NYQPYYVDCBQZFH-OAHLLOKOSA-N 2 1 232.371 2.208 20 0 BEADMP Cc1ccc(C[C@H]2CCC[N@@H+](CC[NH3+])C2)cc1 ZINC000574859403 365160205 /nfs/dbraw/zinc/16/02/05/365160205.db2.gz NYQPYYVDCBQZFH-OAHLLOKOSA-N 2 1 232.371 2.208 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](C)CC1CCOCC1 ZINC000171829483 365245096 /nfs/dbraw/zinc/24/50/96/365245096.db2.gz ZROAKURTQUBJHQ-UHFFFAOYSA-N 2 1 242.407 2.077 20 0 BEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC2(C)CC2)C1 ZINC000575427332 365317414 /nfs/dbraw/zinc/31/74/14/365317414.db2.gz IQDPYNZYZNYRBT-ZDUSSCGKSA-N 2 1 224.392 2.450 20 0 BEADMP C[N@@H+](CCC[NH3+])CCSCc1ccccc1 ZINC000575749386 365352460 /nfs/dbraw/zinc/35/24/60/365352460.db2.gz QXTSJGSIKMWPRS-UHFFFAOYSA-N 2 1 238.400 2.200 20 0 BEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C(C2CC2)C2CC2)C1 ZINC000579567401 366877593 /nfs/dbraw/zinc/87/75/93/366877593.db2.gz VULVWLOPXVMCPL-LBPRGKRZSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C1CC1 ZINC000399083599 365400523 /nfs/dbraw/zinc/40/05/23/365400523.db2.gz SXRXRLSJNMHFHR-KGYLQXTDSA-N 2 1 210.365 2.151 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1cc(C)sc1C ZINC000579809483 367016666 /nfs/dbraw/zinc/01/66/66/367016666.db2.gz CQKGYZIIXLCHMO-NSHDSACASA-N 2 1 212.362 2.192 20 0 BEADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1noc2ccccc21 ZINC000579972793 367109805 /nfs/dbraw/zinc/10/98/05/367109805.db2.gz KEXAFHKXYBWCOM-PWSUYJOCSA-N 2 1 245.326 2.045 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000380723801 367285375 /nfs/dbraw/zinc/28/53/75/367285375.db2.gz OZAKLGRPFRRQMX-XJFOESAGSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000380723801 367285378 /nfs/dbraw/zinc/28/53/78/367285378.db2.gz OZAKLGRPFRRQMX-XJFOESAGSA-N 2 1 224.392 2.493 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC12CC2 ZINC000581380934 367412852 /nfs/dbraw/zinc/41/28/52/367412852.db2.gz JQFSAGAENAKOGS-GFCCVEGCSA-N 2 1 219.332 2.114 20 0 BEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1noc2ccccc12 ZINC000581440235 367472478 /nfs/dbraw/zinc/47/24/78/367472478.db2.gz ZJAHTOHVSZWSQW-NXEZZACHSA-N 2 1 233.315 2.043 20 0 BEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C/C=C\c1ccccc1 ZINC000382670047 367553649 /nfs/dbraw/zinc/55/36/49/367553649.db2.gz FLAIQOKFGJKICM-VZFGUZNESA-N 2 1 230.355 2.369 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000383149442 367601073 /nfs/dbraw/zinc/60/10/73/367601073.db2.gz ODGSBXOOELDCEW-JFGNBEQYSA-N 2 1 246.345 2.350 20 0 BEADMP CC[C@H]1[C@H](C)CC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000384009025 367668015 /nfs/dbraw/zinc/66/80/15/367668015.db2.gz KAGFZARRBRTRCG-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H]1[C@H](C)CC[N@H+]1CC[NH2+]C(C)(C)C ZINC000384009025 367668020 /nfs/dbraw/zinc/66/80/20/367668020.db2.gz KAGFZARRBRTRCG-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H]1[C@H](C)CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000384027839 367669198 /nfs/dbraw/zinc/66/91/98/367669198.db2.gz ZECUUGQBEKPSEW-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP CCCCC[N@@H+](C[C@@H](O)CN(C)CC)C(C)C ZINC000384049831 367669392 /nfs/dbraw/zinc/66/93/92/367669392.db2.gz WLXLNYDUXRPNOF-AWEZNQCLSA-N 2 1 244.423 2.200 20 0 BEADMP CCCCC[N@H+](C[C@@H](O)C[NH+](C)CC)C(C)C ZINC000384049831 367669397 /nfs/dbraw/zinc/66/93/97/367669397.db2.gz WLXLNYDUXRPNOF-AWEZNQCLSA-N 2 1 244.423 2.200 20 0 BEADMP CCCCC[N@@H+](C[C@@H](O)C[NH+](C)CC)C(C)C ZINC000384049831 367669403 /nfs/dbraw/zinc/66/94/03/367669403.db2.gz WLXLNYDUXRPNOF-AWEZNQCLSA-N 2 1 244.423 2.200 20 0 BEADMP CCCCC[NH+](C[C@@H](O)C[N@H+](C)CC)C(C)C ZINC000384049831 367669411 /nfs/dbraw/zinc/66/94/11/367669411.db2.gz WLXLNYDUXRPNOF-AWEZNQCLSA-N 2 1 244.423 2.200 20 0 BEADMP CCCCC[NH+](C[C@@H](O)C[N@@H+](C)CC)C(C)C ZINC000384049831 367669416 /nfs/dbraw/zinc/66/94/16/367669416.db2.gz WLXLNYDUXRPNOF-AWEZNQCLSA-N 2 1 244.423 2.200 20 0 BEADMP CC[C@@H]1[C@@H](C)CC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000384106624 367672358 /nfs/dbraw/zinc/67/23/58/367672358.db2.gz DRPMDANYDMCDFE-YNEHKIRRSA-N 2 1 210.365 2.106 20 0 BEADMP C[N@@H+](Cc1ccc(C2CC2)cc1)C1CC([NH3+])C1 ZINC000384828918 367739060 /nfs/dbraw/zinc/73/90/60/367739060.db2.gz GMZLDBBFTFQILM-UHFFFAOYSA-N 2 1 230.355 2.486 20 0 BEADMP Cc1cccc(C)c1C[N@H+](C)C1CC([NH3+])C1 ZINC000384907918 367754651 /nfs/dbraw/zinc/75/46/51/367754651.db2.gz XZBFGMLUNLCGHG-UHFFFAOYSA-N 2 1 218.344 2.225 20 0 BEADMP CCc1ccc(C[N@H+](C)C2CC([NH3+])C2)s1 ZINC000384911616 367756375 /nfs/dbraw/zinc/75/63/75/367756375.db2.gz YONCFAWKJRPXJS-UHFFFAOYSA-N 2 1 224.373 2.232 20 0 BEADMP CCc1ccc(C[N@@H+](C)C2CC([NH3+])C2)s1 ZINC000384911616 367756379 /nfs/dbraw/zinc/75/63/79/367756379.db2.gz YONCFAWKJRPXJS-UHFFFAOYSA-N 2 1 224.373 2.232 20 0 BEADMP CCOc1ccccc1C[N@H+](C)C1CC([NH3+])C1 ZINC000385038868 367776760 /nfs/dbraw/zinc/77/67/60/367776760.db2.gz QWRBKSKTWDHGJS-UHFFFAOYSA-N 2 1 234.343 2.007 20 0 BEADMP CCOc1ccccc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000385038868 367776765 /nfs/dbraw/zinc/77/67/65/367776765.db2.gz QWRBKSKTWDHGJS-UHFFFAOYSA-N 2 1 234.343 2.007 20 0 BEADMP C[C@@H](CC(C)(C)C)[NH2+]C1CC[NH+](C)CC1 ZINC000385099924 367791171 /nfs/dbraw/zinc/79/11/71/367791171.db2.gz HMAWQKRRFVVNJJ-NSHDSACASA-N 2 1 212.381 2.495 20 0 BEADMP CCCOc1cccc(C[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000385111526 367794607 /nfs/dbraw/zinc/79/46/07/367794607.db2.gz DBBSZKUHKNTFBO-UHFFFAOYSA-N 2 1 248.370 2.397 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1C ZINC000385668370 367853634 /nfs/dbraw/zinc/85/36/34/367853634.db2.gz PHYKOMFUNCNUIC-BVMMLCNSSA-N 2 1 222.376 2.246 20 0 BEADMP C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)C1CCCCC1 ZINC000385386881 367824411 /nfs/dbraw/zinc/82/44/11/367824411.db2.gz QWUNJIAIOVXQNH-KGLIPLIRSA-N 2 1 222.376 2.251 20 0 BEADMP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)C1CCCCC1 ZINC000385386881 367824416 /nfs/dbraw/zinc/82/44/16/367824416.db2.gz QWUNJIAIOVXQNH-KGLIPLIRSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@H]([NH2+]CCC(C)(F)F)[C@H]1CCCC[NH2+]1 ZINC000386047412 367903869 /nfs/dbraw/zinc/90/38/69/367903869.db2.gz URHOPMCPHCTSSN-VHSXEESVSA-N 2 1 220.307 2.152 20 0 BEADMP CC[C@H](C)[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)OC ZINC000386046302 367901602 /nfs/dbraw/zinc/90/16/02/367901602.db2.gz UJTVRSBOZBRCOD-CRWXNKLISA-N 2 1 242.407 2.168 20 0 BEADMP C[C@H]([NH2+]CCc1ccc(O)cc1)[C@H]1CCCC[NH2+]1 ZINC000386530130 367986984 /nfs/dbraw/zinc/98/69/84/367986984.db2.gz AJFSCJFAAATPLY-SWLSCSKDSA-N 2 1 248.370 2.055 20 0 BEADMP CC(C)[N@H+](CC[C@H]1CCC[NH2+]C1)CC(F)F ZINC000387020827 368042279 /nfs/dbraw/zinc/04/22/79/368042279.db2.gz IMXXPNQTZDPJGZ-LLVKDONJSA-N 2 1 234.334 2.352 20 0 BEADMP CC(C)[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(F)F ZINC000387020827 368042282 /nfs/dbraw/zinc/04/22/82/368042282.db2.gz IMXXPNQTZDPJGZ-LLVKDONJSA-N 2 1 234.334 2.352 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C(C)(C)C ZINC000399246834 368044327 /nfs/dbraw/zinc/04/43/27/368044327.db2.gz WGMJTRLTPUYOTB-IJLUTSLNSA-N 2 1 212.381 2.399 20 0 BEADMP C[C@H](C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C(C)(C)C ZINC000399246839 368045700 /nfs/dbraw/zinc/04/57/00/368045700.db2.gz WGMJTRLTPUYOTB-UTUOFQBUSA-N 2 1 212.381 2.399 20 0 BEADMP CCCOc1ccc(C[NH2+]CC(C)(C)[NH3+])cc1 ZINC000566902275 326092271 /nfs/dbraw/zinc/09/22/71/326092271.db2.gz KJBXZXFDCYWASW-UHFFFAOYSA-N 2 1 236.359 2.302 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2c(C)cc(C)nc2C)C1 ZINC000631822175 368975871 /nfs/dbraw/zinc/97/58/71/368975871.db2.gz VFXLUVHLMISHQP-CQSZACIVSA-N 2 1 247.386 2.048 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c(C)cc(C)nc2C)C1 ZINC000631822175 368975875 /nfs/dbraw/zinc/97/58/75/368975875.db2.gz VFXLUVHLMISHQP-CQSZACIVSA-N 2 1 247.386 2.048 20 0 BEADMP C[C@@](C[NH3+])([NH2+]C[C@H]1CCC(F)(F)C1)C1CC1 ZINC000631822373 368977073 /nfs/dbraw/zinc/97/70/73/368977073.db2.gz APVYVOMXJDYLHQ-ONGXEEELSA-N 2 1 232.318 2.139 20 0 BEADMP C[N@H+]1CCCC[C@H](C[NH2+]CC2(C)CC2)C1 ZINC000623657113 368997220 /nfs/dbraw/zinc/99/72/20/368997220.db2.gz KASYQPNCMNYYIV-GFCCVEGCSA-N 2 1 210.365 2.108 20 0 BEADMP CCn1cccc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000091025827 369003944 /nfs/dbraw/zinc/00/39/44/369003944.db2.gz NGTGRSDDOGIJQL-AWEZNQCLSA-N 2 1 249.402 2.328 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c(C)n1 ZINC000631824194 368987365 /nfs/dbraw/zinc/98/73/65/368987365.db2.gz YJQASIAHMPZSQK-TZMCWYRMSA-N 2 1 247.386 2.176 20 0 BEADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCSCC2)C1 ZINC000623655812 368991708 /nfs/dbraw/zinc/99/17/08/368991708.db2.gz GBLOMNPUHTVLAE-LBPRGKRZSA-N 2 1 242.432 2.204 20 0 BEADMP Cc1ncccc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656328 368993192 /nfs/dbraw/zinc/99/31/92/368993192.db2.gz SAYDOSDCGYMVBI-AWEZNQCLSA-N 2 1 247.386 2.212 20 0 BEADMP Cc1ncccc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623656328 368993200 /nfs/dbraw/zinc/99/32/00/368993200.db2.gz SAYDOSDCGYMVBI-AWEZNQCLSA-N 2 1 247.386 2.212 20 0 BEADMP CCc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631837391 369094466 /nfs/dbraw/zinc/09/44/66/369094466.db2.gz RZXVYIYBLMLVIM-IUODEOHRSA-N 2 1 232.371 2.276 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@H]1C[NH3+] ZINC000631838116 369116793 /nfs/dbraw/zinc/11/67/93/369116793.db2.gz JCFAJTAOGPHUTK-DGCLKSJQSA-N 2 1 244.338 2.459 20 0 BEADMP C[C@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@H]1C[NH3+] ZINC000631838117 369116978 /nfs/dbraw/zinc/11/69/78/369116978.db2.gz JCFAJTAOGPHUTK-WCQYABFASA-N 2 1 244.338 2.459 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CC(C2CC2)C2CC2)CC[N@H+]1C ZINC000156602642 326236998 /nfs/dbraw/zinc/23/69/98/326236998.db2.gz IUESWCRPDJRQHM-FZMZJTMJSA-N 2 1 236.403 2.495 20 0 BEADMP CS[C@H]1CC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459455519 203285301 /nfs/dbraw/zinc/28/53/01/203285301.db2.gz ZAPULAIIHFTWHM-OLZOCXBDSA-N 2 1 240.416 2.097 20 0 BEADMP CSc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000107573400 369353981 /nfs/dbraw/zinc/35/39/81/369353981.db2.gz JTPLVJAWCJTQNP-CHWSQXEVSA-N 2 1 248.395 2.060 20 0 BEADMP CC[C@H](C)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459723600 203341524 /nfs/dbraw/zinc/34/15/24/203341524.db2.gz AGPISJSQXYJKFF-STQMWFEESA-N 2 1 212.381 2.354 20 0 BEADMP Cc1ccoc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459734144 203347372 /nfs/dbraw/zinc/34/73/72/203347372.db2.gz OFINLGIZZDWWAH-CYBMUJFWSA-N 2 1 236.359 2.410 20 0 BEADMP Cc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)nc1 ZINC000459735036 203347505 /nfs/dbraw/zinc/34/75/05/203347505.db2.gz PJKFPCHGSALLEW-AWEZNQCLSA-N 2 1 247.386 2.212 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459776117 203366186 /nfs/dbraw/zinc/36/61/86/203366186.db2.gz KCANJWWJJMKGRC-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459742362 203352277 /nfs/dbraw/zinc/35/22/77/203352277.db2.gz VVIVBYGCKLAKNH-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459742365 203352642 /nfs/dbraw/zinc/35/26/42/203352642.db2.gz VVIVBYGCKLAKNH-STQMWFEESA-N 2 1 212.381 2.497 20 0 BEADMP CC(C)OC[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459784000 203367575 /nfs/dbraw/zinc/36/75/75/203367575.db2.gz NSWPMSRNVOFYRG-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP Cc1ccncc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459787783 203369197 /nfs/dbraw/zinc/36/91/97/203369197.db2.gz PYZXKVVUTDDLQU-CQSZACIVSA-N 2 1 247.386 2.212 20 0 BEADMP C[C@@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C1CCCC1 ZINC000166319576 203387489 /nfs/dbraw/zinc/38/74/89/203387489.db2.gz WZTGERVXOBRHLU-BXUZGUMPSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C1CC1 ZINC000166324414 203388099 /nfs/dbraw/zinc/38/80/99/203388099.db2.gz CFKMIRVWOIUUAP-QWHCGFSZSA-N 2 1 210.365 2.105 20 0 BEADMP CO[C@H](C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C)C1CCCCC1 ZINC000631862882 369578523 /nfs/dbraw/zinc/57/85/23/369578523.db2.gz UYGMPYXXZSITJD-IACUBPJLSA-N 2 1 240.391 2.003 20 0 BEADMP CO[C@H](C[N@H+]1C[C@H]([NH3+])C[C@@H]1C)C1CCCCC1 ZINC000631862882 369578526 /nfs/dbraw/zinc/57/85/26/369578526.db2.gz UYGMPYXXZSITJD-IACUBPJLSA-N 2 1 240.391 2.003 20 0 BEADMP CO[C@H](C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C)C1CCCCC1 ZINC000631862884 369579658 /nfs/dbraw/zinc/57/96/58/369579658.db2.gz UYGMPYXXZSITJD-KWCYVHTRSA-N 2 1 240.391 2.003 20 0 BEADMP CO[C@H](C[N@H+]1C[C@@H]([NH3+])C[C@H]1C)C1CCCCC1 ZINC000631862884 369579661 /nfs/dbraw/zinc/57/96/61/369579661.db2.gz UYGMPYXXZSITJD-KWCYVHTRSA-N 2 1 240.391 2.003 20 0 BEADMP CCCc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000620278349 369794016 /nfs/dbraw/zinc/79/40/16/369794016.db2.gz NVKHDLAONOFRHR-IYBDPMFKSA-N 2 1 244.382 2.290 20 0 BEADMP COc1cccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000253192943 370161291 /nfs/dbraw/zinc/16/12/91/370161291.db2.gz NXWQVNKJBIOQMK-TZMCWYRMSA-N 2 1 248.370 2.112 20 0 BEADMP CCSCC[C@H](C)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000309635126 370237506 /nfs/dbraw/zinc/23/75/06/370237506.db2.gz MBNKKXNVLFCJNE-RYUDHWBXSA-N 2 1 230.421 2.059 20 0 BEADMP Cc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)ccn1 ZINC000621774508 370520286 /nfs/dbraw/zinc/52/02/86/370520286.db2.gz VYCKKSOSMIYJKK-UHFFFAOYSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)ccn1 ZINC000621774508 370520293 /nfs/dbraw/zinc/52/02/93/370520293.db2.gz VYCKKSOSMIYJKK-UHFFFAOYSA-N 2 1 245.370 2.106 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC2CC(C)C2)[C@H](C)C1 ZINC000621739716 370497172 /nfs/dbraw/zinc/49/71/72/370497172.db2.gz UHDXQWVWWIRZHZ-HHTDUIENSA-N 2 1 224.392 2.352 20 0 BEADMP Cc1cc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)ccn1 ZINC000621776396 370524417 /nfs/dbraw/zinc/52/44/17/370524417.db2.gz KIMHGEKWZRWRCY-HNNXBMFYSA-N 2 1 247.386 2.387 20 0 BEADMP Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])ccn1 ZINC000621776326 370524593 /nfs/dbraw/zinc/52/45/93/370524593.db2.gz JCDVDBSOLBTJKP-IUODEOHRSA-N 2 1 247.386 2.339 20 0 BEADMP Cc1ccc(CC[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000621782844 370532173 /nfs/dbraw/zinc/53/21/73/370532173.db2.gz TVGOQMRIPVEGAX-HOTGVXAUSA-N 2 1 244.382 2.351 20 0 BEADMP CC[NH+]1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000020130723 371234109 /nfs/dbraw/zinc/23/41/09/371234109.db2.gz VBGWYXZEPKTBQN-UHFFFAOYSA-N 2 1 222.376 2.249 20 0 BEADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000624120920 371321062 /nfs/dbraw/zinc/32/10/62/371321062.db2.gz KFEQJKZWLXQMES-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@H+]1CCCC[C@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000624120677 371321288 /nfs/dbraw/zinc/32/12/88/371321288.db2.gz DXJKBOQHYVWPOB-GFCCVEGCSA-N 2 1 236.403 2.497 20 0 BEADMP CC1CC([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000624121671 371322643 /nfs/dbraw/zinc/32/26/43/371322643.db2.gz ARLKEHGZLFFORK-CPCZMJQVSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccccn1 ZINC000624121865 371322827 /nfs/dbraw/zinc/32/28/27/371322827.db2.gz DZENJSXNZAUYCC-UONOGXRCSA-N 2 1 247.386 2.464 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccn1 ZINC000624121865 371322829 /nfs/dbraw/zinc/32/28/29/371322829.db2.gz DZENJSXNZAUYCC-UONOGXRCSA-N 2 1 247.386 2.464 20 0 BEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCC2(C)C)C1 ZINC000624123393 371324278 /nfs/dbraw/zinc/32/42/78/371324278.db2.gz LCPHBRXYOJQBIG-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123196 371324600 /nfs/dbraw/zinc/32/46/00/371324600.db2.gz HSICNQFWVAIFLH-OLZOCXBDSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@H](C[NH2+]CC(C)(C)C)[NH+]1CCCC1 ZINC000163789677 372054667 /nfs/dbraw/zinc/05/46/67/372054667.db2.gz FKTQMHIXMUUEAO-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCCc2ncccc21 ZINC000631578251 372436461 /nfs/dbraw/zinc/43/64/61/372436461.db2.gz YUCYCJHBBFAAEV-DOMZBBRYSA-N 2 1 247.386 2.389 20 0 BEADMP FC(F)(F)[C@@H]1C[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000631753778 372555506 /nfs/dbraw/zinc/55/55/06/372555506.db2.gz TVXYHXDEAKCHGU-GHMZBOCLSA-N 2 1 248.292 2.154 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CC[C@](C)(C[NH3+])C2)c(C)n1 ZINC000631825156 372603348 /nfs/dbraw/zinc/60/33/48/372603348.db2.gz APRJKFAUDNVIKA-OAHLLOKOSA-N 2 1 247.386 2.178 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c(C)n1 ZINC000631822439 372598490 /nfs/dbraw/zinc/59/84/90/372598490.db2.gz DETYDOCUIBQAKA-GXTWGEPZSA-N 2 1 247.386 2.176 20 0 BEADMP CC(C)CCOCC[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631833534 372618308 /nfs/dbraw/zinc/61/83/08/372618308.db2.gz CKFAVRSGJNYOPP-CQSZACIVSA-N 2 1 242.407 2.252 20 0 BEADMP CC(C)CCOCC[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631833534 372618310 /nfs/dbraw/zinc/61/83/10/372618310.db2.gz CKFAVRSGJNYOPP-CQSZACIVSA-N 2 1 242.407 2.252 20 0 BEADMP C[C@@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)C[C@H]1C[NH3+] ZINC000631839210 372633486 /nfs/dbraw/zinc/63/34/86/372633486.db2.gz BXJCUHVVGDPCLF-IXPVHAAZSA-N 2 1 248.345 2.340 20 0 BEADMP CCc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839060 372634463 /nfs/dbraw/zinc/63/44/63/372634463.db2.gz ZJCXDUNNDPNVOU-IUODEOHRSA-N 2 1 232.371 2.276 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000631844034 372643478 /nfs/dbraw/zinc/64/34/78/372643478.db2.gz DXBHQLGCDSWKSM-ZYHUDNBSSA-N 2 1 238.762 2.367 20 0 BEADMP COc1ccc(C)cc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631844377 372643718 /nfs/dbraw/zinc/64/37/18/372643718.db2.gz WZUUEYUNOOBRKB-GXTWGEPZSA-N 2 1 248.370 2.030 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887537 372673245 /nfs/dbraw/zinc/67/32/45/372673245.db2.gz NVKONUTZIAXXLH-YNEHKIRRSA-N 2 1 210.365 2.106 20 0 BEADMP FCCCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890975 372675460 /nfs/dbraw/zinc/67/54/60/372675460.db2.gz VGVIGWUQMNCDHD-QWHCGFSZSA-N 2 1 228.355 2.200 20 0 BEADMP FCCCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890975 372675463 /nfs/dbraw/zinc/67/54/63/372675463.db2.gz VGVIGWUQMNCDHD-QWHCGFSZSA-N 2 1 228.355 2.200 20 0 BEADMP C[C@H](C[N@@H+](C)CCC[NH3+])C1CCCCC1 ZINC000379981674 373099082 /nfs/dbraw/zinc/09/90/82/373099082.db2.gz HSHLEADPMODECW-GFCCVEGCSA-N 2 1 212.381 2.483 20 0 BEADMP CC[NH2+][C@H](C)C[NH2+]C[C@H](C)c1ccccc1 ZINC000414958494 205794291 /nfs/dbraw/zinc/79/42/91/205794291.db2.gz OXROUDGSVZSZJU-QWHCGFSZSA-N 2 1 220.360 2.378 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2C)CC1 ZINC000070825950 374195578 /nfs/dbraw/zinc/19/55/78/374195578.db2.gz PDAAMUVXVTZONC-AAEUAGOBSA-N 2 1 210.365 2.249 20 0 BEADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@]1(F)c1ccccc1 ZINC000424381111 206038163 /nfs/dbraw/zinc/03/81/63/206038163.db2.gz YFRXKYBDNYMWRR-CYUUQNCZSA-N 2 1 248.345 2.341 20 0 BEADMP C[C@H](CC[NH3+])[NH2+]Cc1ccc(Cl)cc1F ZINC000220510423 134309643 /nfs/dbraw/zinc/30/96/43/134309643.db2.gz RSXGNSWDUVLPFY-MRVPVSSYSA-N 2 1 230.714 2.306 20 0 BEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccn2C)C1 ZINC000093753097 169078980 /nfs/dbraw/zinc/07/89/80/169078980.db2.gz RAYRFCQVLBKLIR-AWEZNQCLSA-N 2 1 249.402 2.189 20 0 BEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccn2C)C1 ZINC000093753097 169078981 /nfs/dbraw/zinc/07/89/81/169078981.db2.gz RAYRFCQVLBKLIR-AWEZNQCLSA-N 2 1 249.402 2.189 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccn2C)C1 ZINC000093753097 169078982 /nfs/dbraw/zinc/07/89/82/169078982.db2.gz RAYRFCQVLBKLIR-AWEZNQCLSA-N 2 1 249.402 2.189 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccn2C)C1 ZINC000093753097 169078985 /nfs/dbraw/zinc/07/89/85/169078985.db2.gz RAYRFCQVLBKLIR-AWEZNQCLSA-N 2 1 249.402 2.189 20 0 BEADMP CCC[N@H+](CC)CC[NH2+]C1CC(C)(C)C1 ZINC000336765135 169122488 /nfs/dbraw/zinc/12/24/88/169122488.db2.gz QPUDFTYFFWAQLB-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+]C1CC(C)(C)C1 ZINC000336765135 169122489 /nfs/dbraw/zinc/12/24/89/169122489.db2.gz QPUDFTYFFWAQLB-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+]CC(C)(C)COC ZINC000353058076 169127117 /nfs/dbraw/zinc/12/71/17/169127117.db2.gz CIXWUCICPRGTGY-ZDUSSCGKSA-N 2 1 244.423 2.369 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]CC(C)(C)COC ZINC000353058076 169127119 /nfs/dbraw/zinc/12/71/19/169127119.db2.gz CIXWUCICPRGTGY-ZDUSSCGKSA-N 2 1 244.423 2.369 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)Nc1cc[nH+]cc1C ZINC000357794708 169125055 /nfs/dbraw/zinc/12/50/55/169125055.db2.gz CRHLVRKPGDPNFD-CYBMUJFWSA-N 2 1 235.375 2.344 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@H]1CCSC1 ZINC000310037935 169126621 /nfs/dbraw/zinc/12/66/21/169126621.db2.gz VPGVVZGJZLWJEZ-QWHCGFSZSA-N 2 1 244.448 2.450 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@H]1CCSC1 ZINC000310037935 169126623 /nfs/dbraw/zinc/12/66/23/169126623.db2.gz VPGVVZGJZLWJEZ-QWHCGFSZSA-N 2 1 244.448 2.450 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)C1CC1 ZINC000336742330 169126627 /nfs/dbraw/zinc/12/66/27/169126627.db2.gz WUEQTVNHZFHWSH-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)C1CC1 ZINC000336742330 169126628 /nfs/dbraw/zinc/12/66/28/169126628.db2.gz WUEQTVNHZFHWSH-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP Oc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868643 183270051 /nfs/dbraw/zinc/27/00/51/183270051.db2.gz YBWMVOTYQJDMMG-UONOGXRCSA-N 2 1 246.354 2.109 20 0 BEADMP CCC[N@@H+](CCC1CC[NH2+]CC1)C1CC1 ZINC000038076087 169153637 /nfs/dbraw/zinc/15/36/37/169153637.db2.gz QVDZUHNMUMBKDM-UHFFFAOYSA-N 2 1 210.365 2.251 20 0 BEADMP CCC[NH+]1CCC(Nc2cc(C)[nH+]c(C)n2)CC1 ZINC000042238125 169190301 /nfs/dbraw/zinc/19/03/01/169190301.db2.gz DBOXSEACQJLPIW-UHFFFAOYSA-N 2 1 248.374 2.380 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(C)C1 ZINC000309042666 169199714 /nfs/dbraw/zinc/19/97/14/169199714.db2.gz MCNZVUCVTMDKGR-BPCQOVAHSA-N 2 1 210.365 2.249 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CC(C)C1 ZINC000309042666 169199715 /nfs/dbraw/zinc/19/97/15/169199715.db2.gz MCNZVUCVTMDKGR-BPCQOVAHSA-N 2 1 210.365 2.249 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(OCC)C1 ZINC000353986454 169199905 /nfs/dbraw/zinc/19/99/05/169199905.db2.gz IVQKLAGQONAPNW-MOKVOYLWSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CC(OCC)C1 ZINC000353986454 169199906 /nfs/dbraw/zinc/19/99/06/169199906.db2.gz IVQKLAGQONAPNW-MOKVOYLWSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOCC1 ZINC000353987294 169200391 /nfs/dbraw/zinc/20/03/91/169200391.db2.gz OPLFIQLDLHKNME-KBPBESRZSA-N 2 1 240.391 2.020 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOCC1 ZINC000353987294 169200392 /nfs/dbraw/zinc/20/03/92/169200392.db2.gz OPLFIQLDLHKNME-KBPBESRZSA-N 2 1 240.391 2.020 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccncc2C)C1 ZINC000296599210 169206896 /nfs/dbraw/zinc/20/68/96/169206896.db2.gz YGGQFNCROPDQOX-AWEZNQCLSA-N 2 1 247.386 2.212 20 0 BEADMP c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(C2CC2)c1 ZINC000094522261 183348418 /nfs/dbraw/zinc/34/84/18/183348418.db2.gz JVXFIFBWPSWNAN-IYBDPMFKSA-N 2 1 242.366 2.215 20 0 BEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000158770475 169208360 /nfs/dbraw/zinc/20/83/60/169208360.db2.gz AQUXCQFZRLTGJO-UONOGXRCSA-N 2 1 247.386 2.464 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000158770475 169208362 /nfs/dbraw/zinc/20/83/62/169208362.db2.gz AQUXCQFZRLTGJO-UONOGXRCSA-N 2 1 247.386 2.464 20 0 BEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C)o2)C1 ZINC000098173222 169209084 /nfs/dbraw/zinc/20/90/84/169209084.db2.gz QHUPXGJOEBUHED-CYBMUJFWSA-N 2 1 236.359 2.410 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C)o2)C1 ZINC000098173222 169209085 /nfs/dbraw/zinc/20/90/85/169209085.db2.gz QHUPXGJOEBUHED-CYBMUJFWSA-N 2 1 236.359 2.410 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]2CC)C1 ZINC000336782973 169209134 /nfs/dbraw/zinc/20/91/34/169209134.db2.gz ZDIVGGNMCSDJIH-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H]2CC)C1 ZINC000336782974 169209293 /nfs/dbraw/zinc/20/92/93/169209293.db2.gz ZDIVGGNMCSDJIH-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP c1cc2c(s1)CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000020072120 183373022 /nfs/dbraw/zinc/37/30/22/183373022.db2.gz IWXVBAGKFKFNLC-LLVKDONJSA-N 2 1 236.384 2.106 20 0 BEADMP c1cc2c(s1)CC[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000020072120 183373023 /nfs/dbraw/zinc/37/30/23/183373023.db2.gz IWXVBAGKFKFNLC-LLVKDONJSA-N 2 1 236.384 2.106 20 0 BEADMP CCCOc1cccc(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000052921813 169325094 /nfs/dbraw/zinc/32/50/94/169325094.db2.gz JNSAWJJWYGSGPY-CQSZACIVSA-N 2 1 248.370 2.256 20 0 BEADMP CCC[C@@H](C)C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000309092799 169358704 /nfs/dbraw/zinc/35/87/04/169358704.db2.gz CTTZXXVJOXXKEJ-GFCCVEGCSA-N 2 1 210.365 2.274 20 0 BEADMP CCC[C@@H](C)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336717611 169359274 /nfs/dbraw/zinc/35/92/74/169359274.db2.gz YCMUJNBEBMDCNA-CHWSQXEVSA-N 2 1 210.365 2.108 20 0 BEADMP CCC[C@@H](C)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000336717614 169359457 /nfs/dbraw/zinc/35/94/57/169359457.db2.gz YCMUJNBEBMDCNA-OLZOCXBDSA-N 2 1 210.365 2.108 20 0 BEADMP CC[C@H](C)C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000179309658 134320371 /nfs/dbraw/zinc/32/03/71/134320371.db2.gz FYJRRRQXCOKMFO-STQMWFEESA-N 2 1 212.381 2.449 20 0 BEADMP CC[C@H](C)C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000179309658 134320372 /nfs/dbraw/zinc/32/03/72/134320372.db2.gz FYJRRRQXCOKMFO-STQMWFEESA-N 2 1 212.381 2.449 20 0 BEADMP CC[C@H](C)C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000179309658 134320373 /nfs/dbraw/zinc/32/03/73/134320373.db2.gz FYJRRRQXCOKMFO-STQMWFEESA-N 2 1 212.381 2.449 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC000226420546 134365506 /nfs/dbraw/zinc/36/55/06/134365506.db2.gz GTZAVXMUPXISKN-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP CC1(C)CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000069793370 383845759 /nfs/dbraw/zinc/84/57/59/383845759.db2.gz JFSSCGNQBVCDDO-GFCCVEGCSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@]1(C[N@H+]2CCCC(C)(C)C2)CC[NH2+]C1 ZINC000069794524 383845975 /nfs/dbraw/zinc/84/59/75/383845975.db2.gz GWRRDFXIQNEKCQ-CYBMUJFWSA-N 2 1 210.365 2.108 20 0 BEADMP CC(C)(C)CC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069626401 383833006 /nfs/dbraw/zinc/83/30/06/383833006.db2.gz KMRQHWDTQAQZKV-LBPRGKRZSA-N 2 1 212.381 2.483 20 0 BEADMP CCc1cc(NC2CC[NH+](CC)CC2)nc(C)[nH+]1 ZINC000088760209 383923324 /nfs/dbraw/zinc/92/33/24/383923324.db2.gz RLBZGTBUIXOCCF-UHFFFAOYSA-N 2 1 248.374 2.244 20 0 BEADMP CC(C)(C)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000072167903 384018594 /nfs/dbraw/zinc/01/85/94/384018594.db2.gz GLTCEZRXURMIEY-CYBMUJFWSA-N 2 1 210.365 2.108 20 0 BEADMP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546498 384015332 /nfs/dbraw/zinc/01/53/32/384015332.db2.gz PLXCYQDXWAHPKO-JQWIXIFHSA-N 2 1 248.374 2.043 20 0 BEADMP CC(C)[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000308700148 384047870 /nfs/dbraw/zinc/04/78/70/384047870.db2.gz URXCLIJHYGLYOJ-RYUDHWBXSA-N 2 1 200.370 2.349 20 0 BEADMP CC(C)[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000308700148 384047876 /nfs/dbraw/zinc/04/78/76/384047876.db2.gz URXCLIJHYGLYOJ-RYUDHWBXSA-N 2 1 200.370 2.349 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000235887565 384032058 /nfs/dbraw/zinc/03/20/58/384032058.db2.gz PMEDIVMXDBBAEA-CQSZACIVSA-N 2 1 218.344 2.166 20 0 BEADMP Cc1cc(C)cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000163177037 384070561 /nfs/dbraw/zinc/07/05/61/384070561.db2.gz RBLQPORCPZTZAD-HIFRSBDPSA-N 2 1 232.371 2.473 20 0 BEADMP C[C@H]1CC([NH2+]CCC[NH+]2CCC2)C[C@H](C)C1 ZINC000569502110 384135296 /nfs/dbraw/zinc/13/52/96/384135296.db2.gz ISWBNEYJLNZIOK-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C(C)C ZINC000449384949 384130056 /nfs/dbraw/zinc/13/00/56/384130056.db2.gz PCYFQGWARSDVTP-ZDUSSCGKSA-N 2 1 212.381 2.495 20 0 BEADMP Cc1ccnc(N[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000227957755 134395305 /nfs/dbraw/zinc/39/53/05/134395305.db2.gz AUXDEMNFKHNEQU-NEPJUHHUSA-N 2 1 219.332 2.142 20 0 BEADMP Cc1cc[nH+]c(N[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000227957755 134395306 /nfs/dbraw/zinc/39/53/06/134395306.db2.gz AUXDEMNFKHNEQU-NEPJUHHUSA-N 2 1 219.332 2.142 20 0 BEADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000090720173 384165026 /nfs/dbraw/zinc/16/50/26/384165026.db2.gz IFFCQVFKPHZLTR-SMDDNHRTSA-N 2 1 236.334 2.398 20 0 BEADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)CC[N@H+]1C ZINC000090720173 384165027 /nfs/dbraw/zinc/16/50/27/384165027.db2.gz IFFCQVFKPHZLTR-SMDDNHRTSA-N 2 1 236.334 2.398 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000163206201 384166126 /nfs/dbraw/zinc/16/61/26/384166126.db2.gz NPBQKRQRYPCKBR-ZIAGYGMSSA-N 2 1 232.371 2.473 20 0 BEADMP C[NH2+]CCC[N@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000309636650 384184994 /nfs/dbraw/zinc/18/49/94/384184994.db2.gz MYGIERPFAZSWBT-JHJVBQTASA-N 2 1 210.365 2.249 20 0 BEADMP C[NH+](C)CCC[N@H+](C)Cc1ccccc1 ZINC000041215451 384183783 /nfs/dbraw/zinc/18/37/83/384183783.db2.gz AKOJEAJIPWRGHU-UHFFFAOYSA-N 2 1 206.333 2.070 20 0 BEADMP C[NH+](C)CCC[N@@H+](C)Cc1ccccc1 ZINC000041215451 384183786 /nfs/dbraw/zinc/18/37/86/384183786.db2.gz AKOJEAJIPWRGHU-UHFFFAOYSA-N 2 1 206.333 2.070 20 0 BEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC1CCCC1 ZINC000082594454 384240738 /nfs/dbraw/zinc/24/07/38/384240738.db2.gz MFBPVWPFHZLZMN-ZDUSSCGKSA-N 2 1 210.365 2.380 20 0 BEADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccn(C)c1 ZINC000093660009 384257569 /nfs/dbraw/zinc/25/75/69/384257569.db2.gz DURGPPWIKFIECY-OAHLLOKOSA-N 2 1 249.402 2.331 20 0 BEADMP Cn1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000093660009 384257574 /nfs/dbraw/zinc/25/75/74/384257574.db2.gz DURGPPWIKFIECY-OAHLLOKOSA-N 2 1 249.402 2.331 20 0 BEADMP Cn1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000093660009 384257580 /nfs/dbraw/zinc/25/75/80/384257580.db2.gz DURGPPWIKFIECY-OAHLLOKOSA-N 2 1 249.402 2.331 20 0 BEADMP Cn1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000093660009 384257587 /nfs/dbraw/zinc/25/75/87/384257587.db2.gz DURGPPWIKFIECY-OAHLLOKOSA-N 2 1 249.402 2.331 20 0 BEADMP Cn1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000093660009 384257593 /nfs/dbraw/zinc/25/75/93/384257593.db2.gz DURGPPWIKFIECY-OAHLLOKOSA-N 2 1 249.402 2.331 20 0 BEADMP CC[N@@H+](Cc1ccncc1)[C@H]1CCC[NH2+]CC1 ZINC000113712504 384261044 /nfs/dbraw/zinc/26/10/44/384261044.db2.gz BAYXAEPCUIDNRS-AWEZNQCLSA-N 2 1 233.359 2.046 20 0 BEADMP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000082847466 384271277 /nfs/dbraw/zinc/27/12/77/384271277.db2.gz SQEJTPZAELNHKX-FRRDWIJNSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000082845890 384271324 /nfs/dbraw/zinc/27/13/24/384271324.db2.gz JBHJTWQDTNZBKZ-MROQNXINSA-N 2 1 210.365 2.153 20 0 BEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCSC)C1 ZINC000174228857 384313055 /nfs/dbraw/zinc/31/30/55/384313055.db2.gz BNRPRVBOEDBOJA-GFCCVEGCSA-N 2 1 230.421 2.013 20 0 BEADMP CCC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000300055979 384285077 /nfs/dbraw/zinc/28/50/77/384285077.db2.gz LWNBUPILRFOOJA-FRRDWIJNSA-N 2 1 212.381 2.495 20 0 BEADMP C[N@@H+](CC1CC[NH2+]CC1)C1Cc2ccccc2C1 ZINC000094010873 384287650 /nfs/dbraw/zinc/28/76/50/384287650.db2.gz GLCJGMREYGSWQI-UHFFFAOYSA-N 2 1 244.382 2.085 20 0 BEADMP Cc1cc(C[N@@H+](C)C2CC([NH3+])C2)c(C)s1 ZINC000335475886 384292589 /nfs/dbraw/zinc/29/25/89/384292589.db2.gz BIHFRIPCOSZPJH-UHFFFAOYSA-N 2 1 224.373 2.286 20 0 BEADMP Cc1cc(C[N@H+](C)C2CC([NH3+])C2)c(C)s1 ZINC000335475886 384292594 /nfs/dbraw/zinc/29/25/94/384292594.db2.gz BIHFRIPCOSZPJH-UHFFFAOYSA-N 2 1 224.373 2.286 20 0 BEADMP CC(C)OCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173962314 384292938 /nfs/dbraw/zinc/29/29/38/384292938.db2.gz ISWFCMWPDRDPHW-AWEZNQCLSA-N 2 1 242.407 2.218 20 0 BEADMP CC(C)OCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173962314 384292943 /nfs/dbraw/zinc/29/29/43/384292943.db2.gz ISWFCMWPDRDPHW-AWEZNQCLSA-N 2 1 242.407 2.218 20 0 BEADMP CC(C)OCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173962314 384292951 /nfs/dbraw/zinc/29/29/51/384292951.db2.gz ISWFCMWPDRDPHW-AWEZNQCLSA-N 2 1 242.407 2.218 20 0 BEADMP CC(C)OCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173962314 384292956 /nfs/dbraw/zinc/29/29/56/384292956.db2.gz ISWFCMWPDRDPHW-AWEZNQCLSA-N 2 1 242.407 2.218 20 0 BEADMP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000011891303 384300805 /nfs/dbraw/zinc/30/08/05/384300805.db2.gz QIGPQZKPXZPTHC-LLVKDONJSA-N 2 1 224.735 2.121 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000011891303 384300811 /nfs/dbraw/zinc/30/08/11/384300811.db2.gz QIGPQZKPXZPTHC-LLVKDONJSA-N 2 1 224.735 2.121 20 0 BEADMP CC[C@H](C)C[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000083863418 384345293 /nfs/dbraw/zinc/34/52/93/384345293.db2.gz LLAPWQDVRWRQAM-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP CCC(C)(C)[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000556419529 384374221 /nfs/dbraw/zinc/37/42/21/384374221.db2.gz CZNDWHXARCMWFQ-LLVKDONJSA-N 2 1 212.381 2.495 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOC(C)C)[C@H](C)C1 ZINC000174772711 384363356 /nfs/dbraw/zinc/36/33/56/384363356.db2.gz AVPLBWSBHOEOPB-ZIAGYGMSSA-N 2 1 242.407 2.074 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOC(C)C)[C@H](C)C1 ZINC000174772711 384363364 /nfs/dbraw/zinc/36/33/64/384363364.db2.gz AVPLBWSBHOEOPB-ZIAGYGMSSA-N 2 1 242.407 2.074 20 0 BEADMP COC(C)(C)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000533479199 384363374 /nfs/dbraw/zinc/36/33/74/384363374.db2.gz SCDZZNHYCUFKNY-CYBMUJFWSA-N 2 1 242.407 2.218 20 0 BEADMP COC(C)(C)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000533479199 384363378 /nfs/dbraw/zinc/36/33/78/384363378.db2.gz SCDZZNHYCUFKNY-CYBMUJFWSA-N 2 1 242.407 2.218 20 0 BEADMP COC(C)(C)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000533479199 384363386 /nfs/dbraw/zinc/36/33/86/384363386.db2.gz SCDZZNHYCUFKNY-CYBMUJFWSA-N 2 1 242.407 2.218 20 0 BEADMP CCOC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000159196961 384363777 /nfs/dbraw/zinc/36/37/77/384363777.db2.gz GHQFIIRCVIDJQA-YHWZYXNKSA-N 2 1 240.391 2.016 20 0 BEADMP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1C ZINC000569619099 384365003 /nfs/dbraw/zinc/36/50/03/384365003.db2.gz OKUMDCDACQSCHM-TZMCWYRMSA-N 2 1 248.370 2.315 20 0 BEADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1C ZINC000569619099 384365011 /nfs/dbraw/zinc/36/50/11/384365011.db2.gz OKUMDCDACQSCHM-TZMCWYRMSA-N 2 1 248.370 2.315 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]C2CC(C)(C)C2)CC1 ZINC000335600895 384367699 /nfs/dbraw/zinc/36/76/99/384367699.db2.gz LBFNPMBUBMBFTK-UHFFFAOYSA-N 2 1 208.349 2.027 20 0 BEADMP CC(C)[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000084126066 384371222 /nfs/dbraw/zinc/37/12/22/384371222.db2.gz FNLXSRQDEQGQDY-OLZOCXBDSA-N 2 1 210.365 2.106 20 0 BEADMP [NH3+]C[C@@H]([NH2+]Cc1cccs1)C1CCCC1 ZINC000083758573 384327420 /nfs/dbraw/zinc/32/74/20/384327420.db2.gz LFUDZIBVRXNQRO-GFCCVEGCSA-N 2 1 224.373 2.355 20 0 BEADMP [NH3+]C[C@@H]([NH2+]C1CCCCC1)C1CCCC1 ZINC000083760031 384327539 /nfs/dbraw/zinc/32/75/39/384327539.db2.gz APSWVLHYGJHMEE-CYBMUJFWSA-N 2 1 210.365 2.426 20 0 BEADMP Cc1cc[nH+]c(N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000292826375 384413533 /nfs/dbraw/zinc/41/35/33/384413533.db2.gz PHEHUSYEFVZXAS-OAHLLOKOSA-N 2 1 245.370 2.312 20 0 BEADMP Cc1cc[nH+]c(N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000292826375 384413536 /nfs/dbraw/zinc/41/35/36/384413536.db2.gz PHEHUSYEFVZXAS-OAHLLOKOSA-N 2 1 245.370 2.312 20 0 BEADMP Cc1cc(C[NH2+][C@H](C[NH3+])C2CC2)c(C)s1 ZINC000560961488 384427172 /nfs/dbraw/zinc/42/71/72/384427172.db2.gz WFQGFLHZLGNWAP-GFCCVEGCSA-N 2 1 224.373 2.192 20 0 BEADMP Cc1ccoc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000135152619 384419591 /nfs/dbraw/zinc/41/95/91/384419591.db2.gz IPYCMAMWKDJUCM-GFCCVEGCSA-N 2 1 236.359 2.410 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000336718423 384378322 /nfs/dbraw/zinc/37/83/22/384378322.db2.gz YKBLUGZUZLXIHS-WUHRBBMRSA-N 2 1 212.381 2.351 20 0 BEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCSC)C1 ZINC000174966576 384381261 /nfs/dbraw/zinc/38/12/61/384381261.db2.gz GIMLPFOPPJYJJU-ZDUSSCGKSA-N 2 1 244.448 2.403 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCSC)C1 ZINC000174966576 384381268 /nfs/dbraw/zinc/38/12/68/384381268.db2.gz GIMLPFOPPJYJJU-ZDUSSCGKSA-N 2 1 244.448 2.403 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCSC)C1 ZINC000174966576 384381274 /nfs/dbraw/zinc/38/12/74/384381274.db2.gz GIMLPFOPPJYJJU-ZDUSSCGKSA-N 2 1 244.448 2.403 20 0 BEADMP Cc1ccncc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000135460054 384446307 /nfs/dbraw/zinc/44/63/07/384446307.db2.gz LCFXWDOPLGQHDS-ZDUSSCGKSA-N 2 1 247.386 2.212 20 0 BEADMP Cc1ccncc1CNC1CC[NH+](C2CC2)CC1 ZINC000135449558 384446777 /nfs/dbraw/zinc/44/67/77/384446777.db2.gz FXLSKTBMIBLVNN-UHFFFAOYSA-N 2 1 245.370 2.106 20 0 BEADMP CC[C@@H](C)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000181134014 384456355 /nfs/dbraw/zinc/45/63/55/384456355.db2.gz NBMUDDKVYMFFPT-CHWSQXEVSA-N 2 1 212.381 2.449 20 0 BEADMP C[NH+](C)[C@H](C[NH2+]C1CCC(F)(F)CC1)C1CC1 ZINC000647173017 384429613 /nfs/dbraw/zinc/42/96/13/384429613.db2.gz SPYAVVNLQYVDDF-GFCCVEGCSA-N 2 1 246.345 2.494 20 0 BEADMP CC(C)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000036907726 384464346 /nfs/dbraw/zinc/46/43/46/384464346.db2.gz ZFIXXZSHKWLXSS-FRRDWIJNSA-N 2 1 212.381 2.351 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000036996887 384469609 /nfs/dbraw/zinc/46/96/09/384469609.db2.gz ZVXUCGIRBGLCHD-CYZMBNFOSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000036996887 384469615 /nfs/dbraw/zinc/46/96/15/384469615.db2.gz ZVXUCGIRBGLCHD-CYZMBNFOSA-N 2 1 208.349 2.001 20 0 BEADMP CCc1ccc(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000422762167 384470390 /nfs/dbraw/zinc/47/03/90/384470390.db2.gz RXHGFKPVLHWMPP-XJKSGUPXSA-N 2 1 246.398 2.379 20 0 BEADMP CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036996767 384471379 /nfs/dbraw/zinc/47/13/79/384471379.db2.gz XCYGECZFOVREQK-YNEHKIRRSA-N 2 1 210.365 2.391 20 0 BEADMP CCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036996767 384471386 /nfs/dbraw/zinc/47/13/86/384471386.db2.gz XCYGECZFOVREQK-YNEHKIRRSA-N 2 1 210.365 2.391 20 0 BEADMP CCC[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140931 384482025 /nfs/dbraw/zinc/48/20/25/384482025.db2.gz ICAAEAVMQFIQQM-NSHDSACASA-N 2 1 210.365 2.391 20 0 BEADMP CC[C@H]1CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561481 384536024 /nfs/dbraw/zinc/53/60/24/384536024.db2.gz VNWBGGMUHYIRLH-WYTNZGFTSA-N 2 1 222.376 2.390 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2ccccc21 ZINC000049330170 384530528 /nfs/dbraw/zinc/53/05/28/384530528.db2.gz OSYJSNPWCVASCN-OAHLLOKOSA-N 2 1 241.338 2.469 20 0 BEADMP CC1(C)C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCS1 ZINC000164180656 384546676 /nfs/dbraw/zinc/54/66/76/384546676.db2.gz RRTKNIATRDSCRD-GFCCVEGCSA-N 2 1 242.432 2.204 20 0 BEADMP CC[C@@H]1CCCC[C@@H]1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000401436757 384550590 /nfs/dbraw/zinc/55/05/90/384550590.db2.gz JZYDKHNXRJFDNF-TUVASFSCSA-N 2 1 236.403 2.354 20 0 BEADMP C[C@@H](C[NH3+])[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000162041476 384552313 /nfs/dbraw/zinc/55/23/13/384552313.db2.gz IQCOCYJFMGOCGN-NSHDSACASA-N 2 1 220.360 2.421 20 0 BEADMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccnc1 ZINC000019905774 384556341 /nfs/dbraw/zinc/55/63/41/384556341.db2.gz OCPWLWRHJVJARF-GFCCVEGCSA-N 2 1 235.375 2.320 20 0 BEADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000305994995 384561693 /nfs/dbraw/zinc/56/16/93/384561693.db2.gz MQKYNOGSDZFYER-RYUDHWBXSA-N 2 1 246.345 2.483 20 0 BEADMP CC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)C1CCC1 ZINC000449080497 384537688 /nfs/dbraw/zinc/53/76/88/384537688.db2.gz WQWYDVGZVFHYNK-CQSZACIVSA-N 2 1 242.407 2.123 20 0 BEADMP CCC(C)(C)CC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643066272 384580639 /nfs/dbraw/zinc/58/06/39/384580639.db2.gz MHZXYAJAPCAKDU-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643066272 384580641 /nfs/dbraw/zinc/58/06/41/384580641.db2.gz MHZXYAJAPCAKDU-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cccnc1 ZINC000020129016 384580849 /nfs/dbraw/zinc/58/08/49/384580849.db2.gz CFTUHXZHROPYMW-ZDUSSCGKSA-N 2 1 233.359 2.218 20 0 BEADMP CC(C)[NH+]1CCC([NH2+]Cc2cccnc2)CC1 ZINC000020140608 384587282 /nfs/dbraw/zinc/58/72/82/384587282.db2.gz PPLJVHUVHRYTFN-UHFFFAOYSA-N 2 1 233.359 2.044 20 0 BEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC000020523963 384618676 /nfs/dbraw/zinc/61/86/76/384618676.db2.gz NMYGGOLFSINENC-PRTUASRFSA-N 2 1 245.370 2.357 20 0 BEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC000020523985 384621639 /nfs/dbraw/zinc/62/16/39/384621639.db2.gz ZSEGKKPMXQEOKZ-PRTUASRFSA-N 2 1 245.370 2.357 20 0 BEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC000020523985 384621644 /nfs/dbraw/zinc/62/16/44/384621644.db2.gz ZSEGKKPMXQEOKZ-PRTUASRFSA-N 2 1 245.370 2.357 20 0 BEADMP COc1cc(C[NH+]2CCC(C)([NH3+])CC2)ccc1C ZINC000647530783 384623320 /nfs/dbraw/zinc/62/33/20/384623320.db2.gz FMRQZZFBARNRBB-UHFFFAOYSA-N 2 1 248.370 2.317 20 0 BEADMP Cc1nc(NC[C@H](C)[N@H+](C)C2CC2)c(C)c(C)[nH+]1 ZINC000301713727 384668572 /nfs/dbraw/zinc/66/85/72/384668572.db2.gz YZEDKVIAJHIDNY-VIFPVBQESA-N 2 1 248.374 2.296 20 0 BEADMP Cc1nc(NC[C@H](C)[N@@H+](C)C2CC2)c(C)c(C)[nH+]1 ZINC000301713727 384668578 /nfs/dbraw/zinc/66/85/78/384668578.db2.gz YZEDKVIAJHIDNY-VIFPVBQESA-N 2 1 248.374 2.296 20 0 BEADMP CCC[C@H]1[C@@H](C)CCC[N@H+]1CCC[NH2+]C ZINC000309852661 384670712 /nfs/dbraw/zinc/67/07/12/384670712.db2.gz YQEKRGJPOBHMKI-STQMWFEESA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(C)CCC1 ZINC000090220112 384636215 /nfs/dbraw/zinc/63/62/15/384636215.db2.gz PBUWGGJZFXEGCN-FRRDWIJNSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[C@H]3C2)CC[N@@H+]1C ZINC000403374861 384643252 /nfs/dbraw/zinc/64/32/52/384643252.db2.gz NKWRGOPDBVTHLW-MBJXGIAVSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[C@H]3C2)CC[N@H+]1C ZINC000403374861 384643257 /nfs/dbraw/zinc/64/32/57/384643257.db2.gz NKWRGOPDBVTHLW-MBJXGIAVSA-N 2 1 222.376 2.247 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)[C@H](C)C1 ZINC000647357252 384644370 /nfs/dbraw/zinc/64/43/70/384644370.db2.gz ZOTMAKFBMAYVIM-RYPNDVFKSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@H](C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1)c1ccccc1 ZINC000647534595 384645444 /nfs/dbraw/zinc/64/54/44/384645444.db2.gz RIBRHPAKEMQQKG-BMFZPTHFSA-N 2 1 244.382 2.474 20 0 BEADMP C[C@H](C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1)c1ccccc1 ZINC000647534595 384645446 /nfs/dbraw/zinc/64/54/46/384645446.db2.gz RIBRHPAKEMQQKG-BMFZPTHFSA-N 2 1 244.382 2.474 20 0 BEADMP CC1CCC(C[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000647534786 384646030 /nfs/dbraw/zinc/64/60/30/384646030.db2.gz WDVFSMQVOQDHFZ-NEXFUWMNSA-N 2 1 236.403 2.497 20 0 BEADMP CC1CCC(C[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000647534786 384646037 /nfs/dbraw/zinc/64/60/37/384646037.db2.gz WDVFSMQVOQDHFZ-NEXFUWMNSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)s1 ZINC000125479778 384724233 /nfs/dbraw/zinc/72/42/33/384724233.db2.gz GBJHYACXGDMTMX-LBPRGKRZSA-N 2 1 238.400 2.440 20 0 BEADMP CC(F)(F)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000357718316 384683324 /nfs/dbraw/zinc/68/33/24/384683324.db2.gz VUOHEWMHNYBVDU-GHMZBOCLSA-N 2 1 232.318 2.248 20 0 BEADMP CC1(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647542817 384701959 /nfs/dbraw/zinc/70/19/59/384701959.db2.gz CKOIFMOWLOMTAG-KBPBESRZSA-N 2 1 236.403 2.498 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C[C@H]1CCSC1 ZINC000300372067 384710795 /nfs/dbraw/zinc/71/07/95/384710795.db2.gz WLPXTJQLXJJSBC-VXGBXAGGSA-N 2 1 230.421 2.059 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C[C@H]1CCSC1 ZINC000300372067 384710799 /nfs/dbraw/zinc/71/07/99/384710799.db2.gz WLPXTJQLXJJSBC-VXGBXAGGSA-N 2 1 230.421 2.059 20 0 BEADMP C[N@@H+](CCCCCF)CC(C)(C)C[NH3+] ZINC000308454630 384729022 /nfs/dbraw/zinc/72/90/22/384729022.db2.gz DIQOBTRYIPWSAF-UHFFFAOYSA-N 2 1 204.333 2.043 20 0 BEADMP C[C@]1(C[N@H+]2CC[C@@H](C3CCC3)C2)CC[NH2+]C1 ZINC000647552014 384757921 /nfs/dbraw/zinc/75/79/21/384757921.db2.gz AHNDZPNZLLLZIB-KGLIPLIRSA-N 2 1 222.376 2.108 20 0 BEADMP CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](CCC[NH3+])C1 ZINC000647552760 384761007 /nfs/dbraw/zinc/76/10/07/384761007.db2.gz VNDBGEMJNTYZRJ-OLZOCXBDSA-N 2 1 224.392 2.483 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CC ZINC000308597522 384833647 /nfs/dbraw/zinc/83/36/47/384833647.db2.gz NDLSVNCCVRIARC-NWDGAFQWSA-N 2 1 200.370 2.495 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CC ZINC000308597522 384833655 /nfs/dbraw/zinc/83/36/55/384833655.db2.gz NDLSVNCCVRIARC-NWDGAFQWSA-N 2 1 200.370 2.495 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647199088 384869929 /nfs/dbraw/zinc/86/99/29/384869929.db2.gz MFHJBTVXYLSUMS-UHFFFAOYSA-N 2 1 244.329 2.416 20 0 BEADMP CCCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000336755689 384839810 /nfs/dbraw/zinc/83/98/10/384839810.db2.gz IDAYMOMRTVOYTB-UHFFFAOYSA-N 2 1 227.377 2.094 20 0 BEADMP CS[C@H]1CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000309843849 384869600 /nfs/dbraw/zinc/86/96/00/384869600.db2.gz FRZJGCDKIVRGRC-DMGDTADUSA-N 2 1 240.416 2.095 20 0 BEADMP Cc1cc(C)c(C[NH2+]CC(C)(C)[NH3+])cc1C ZINC000258878725 384948820 /nfs/dbraw/zinc/94/88/20/384948820.db2.gz PYIVBGZSWNWZNN-UHFFFAOYSA-N 2 1 220.360 2.439 20 0 BEADMP CC[C@H]([NH2+]CC[N@H+](CC)C(C)C)[C@@H]1CCOC1 ZINC000156630816 384910725 /nfs/dbraw/zinc/91/07/25/384910725.db2.gz YDCISLHLRCUMDT-KGLIPLIRSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@H]([NH2+]CC[N@@H+](CC)C(C)C)[C@@H]1CCOC1 ZINC000156630816 384910729 /nfs/dbraw/zinc/91/07/29/384910729.db2.gz YDCISLHLRCUMDT-KGLIPLIRSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156682665 384927393 /nfs/dbraw/zinc/92/73/93/384927393.db2.gz WJJRVLVDCCSGMU-CRWXNKLISA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156682665 384927400 /nfs/dbraw/zinc/92/74/00/384927400.db2.gz WJJRVLVDCCSGMU-CRWXNKLISA-N 2 1 240.391 2.016 20 0 BEADMP c1csc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106868252 384937064 /nfs/dbraw/zinc/93/70/64/384937064.db2.gz JXMYQZUILFWILN-NWDGAFQWSA-N 2 1 236.384 2.465 20 0 BEADMP c1csc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000106868252 384937073 /nfs/dbraw/zinc/93/70/73/384937073.db2.gz JXMYQZUILFWILN-NWDGAFQWSA-N 2 1 236.384 2.465 20 0 BEADMP c1csc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106868252 384937081 /nfs/dbraw/zinc/93/70/81/384937081.db2.gz JXMYQZUILFWILN-NWDGAFQWSA-N 2 1 236.384 2.465 20 0 BEADMP Cc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)o1 ZINC000057994254 384977351 /nfs/dbraw/zinc/97/73/51/384977351.db2.gz ZCOAPERBHRWUJL-LBPRGKRZSA-N 2 1 236.359 2.410 20 0 BEADMP CC[N@H+](C)C[C@H]1CCN(c2cccc(C)[nH+]2)C1 ZINC000128022281 384978588 /nfs/dbraw/zinc/97/85/88/384978588.db2.gz SPESJUYZPCERIR-CYBMUJFWSA-N 2 1 233.359 2.168 20 0 BEADMP CC[N@@H+](C)C[C@H]1CCN(c2cccc(C)[nH+]2)C1 ZINC000128022281 384978597 /nfs/dbraw/zinc/97/85/97/384978597.db2.gz SPESJUYZPCERIR-CYBMUJFWSA-N 2 1 233.359 2.168 20 0 BEADMP CC(C)C1([NH2+]CC[C@H]2CCC[N@H+]2C)CC1 ZINC000339521302 385014925 /nfs/dbraw/zinc/01/49/25/385014925.db2.gz JZKQEWAFRLAUMJ-GFCCVEGCSA-N 2 1 210.365 2.249 20 0 BEADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000404736407 385048210 /nfs/dbraw/zinc/04/82/10/385048210.db2.gz AACCIRFEWLLAKH-RYUDHWBXSA-N 2 1 240.297 2.180 20 0 BEADMP C[N@@H+](Cc1cccc2cccnc21)C1CC([NH3+])C1 ZINC000336233499 385064379 /nfs/dbraw/zinc/06/43/79/385064379.db2.gz UUNHIKBJCNXUTP-UHFFFAOYSA-N 2 1 241.338 2.156 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CCC1 ZINC000177943946 385140940 /nfs/dbraw/zinc/14/09/40/385140940.db2.gz FHNBTYNGADTUSR-RYUDHWBXSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@H](C[NH2+]Cc1cc(F)cc(F)c1)C[NH+](C)C ZINC000291683461 385104348 /nfs/dbraw/zinc/10/43/48/385104348.db2.gz ICISGWPMYVWFST-SNVBAGLBSA-N 2 1 242.313 2.252 20 0 BEADMP Cc1cncc(CN(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000189898210 385195664 /nfs/dbraw/zinc/19/56/64/385195664.db2.gz JCMRABCHRDPHHH-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479295 385151781 /nfs/dbraw/zinc/15/17/81/385151781.db2.gz AVRCXUDKDQWCCJ-RQJABVFESA-N 2 1 222.376 2.106 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479297 385152590 /nfs/dbraw/zinc/15/25/90/385152590.db2.gz AVRCXUDKDQWCCJ-XJFOESAGSA-N 2 1 222.376 2.106 20 0 BEADMP Cc1cc[nH+]c(N[C@@H](C)CC[NH+](C)C)c1 ZINC000043561684 385168653 /nfs/dbraw/zinc/16/86/53/385168653.db2.gz JQTLWPJLEDOQSB-NSHDSACASA-N 2 1 207.321 2.142 20 0 BEADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000252713575 385218180 /nfs/dbraw/zinc/21/81/80/385218180.db2.gz PNXCHEIBBIVVKW-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000449781100 385223338 /nfs/dbraw/zinc/22/33/38/385223338.db2.gz ZJANKWUNBSAPOM-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cccs1 ZINC000252714847 385224697 /nfs/dbraw/zinc/22/46/97/385224697.db2.gz TWTGHOCNHXNVQK-WCQYABFASA-N 2 1 238.400 2.220 20 0 BEADMP CSCCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252715654 385225565 /nfs/dbraw/zinc/22/55/65/385225565.db2.gz WHCKHGSYVBEZFS-VXGBXAGGSA-N 2 1 230.421 2.059 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000252731605 385264958 /nfs/dbraw/zinc/26/49/58/385264958.db2.gz QTHTYBOOMWTMBM-XDQVBPFNSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000252731605 385264962 /nfs/dbraw/zinc/26/49/62/385264962.db2.gz QTHTYBOOMWTMBM-XDQVBPFNSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)C1CCC1 ZINC000178501660 385292477 /nfs/dbraw/zinc/29/24/77/385292477.db2.gz WAGUMHHRLUIGHX-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)C1CCC1 ZINC000178501660 385292481 /nfs/dbraw/zinc/29/24/81/385292481.db2.gz WAGUMHHRLUIGHX-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCCCCF ZINC000308924206 385296486 /nfs/dbraw/zinc/29/64/86/385296486.db2.gz LOJSPZWQFJRIIT-GFCCVEGCSA-N 2 1 218.360 2.431 20 0 BEADMP Cc1ccc(CC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000335906402 385336796 /nfs/dbraw/zinc/33/67/96/385336796.db2.gz DDUNNXGGHUFYTG-JKSUJKDBSA-N 2 1 244.382 2.221 20 0 BEADMP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000361922412 385341996 /nfs/dbraw/zinc/34/19/96/385341996.db2.gz AAVUGKFBMYSNTL-BZPMIXESSA-N 2 1 236.359 2.283 20 0 BEADMP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000361922412 385342001 /nfs/dbraw/zinc/34/20/01/385342001.db2.gz AAVUGKFBMYSNTL-BZPMIXESSA-N 2 1 236.359 2.283 20 0 BEADMP Cc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)on1 ZINC000178532296 385387209 /nfs/dbraw/zinc/38/72/09/385387209.db2.gz LHPPIMXCRMRHLN-UHFFFAOYSA-N 2 1 248.330 2.010 20 0 BEADMP Cc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)on1 ZINC000178532296 385387211 /nfs/dbraw/zinc/38/72/11/385387211.db2.gz LHPPIMXCRMRHLN-UHFFFAOYSA-N 2 1 248.330 2.010 20 0 BEADMP CCC1CC([NH2+][C@H](C)C[N@H+](C)C(C)C)C1 ZINC000309142802 385434311 /nfs/dbraw/zinc/43/43/11/385434311.db2.gz HPNMJLQVWVZUBB-PNESKVBLSA-N 2 1 212.381 2.493 20 0 BEADMP CCC1CC([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000309142802 385434314 /nfs/dbraw/zinc/43/43/14/385434314.db2.gz HPNMJLQVWVZUBB-PNESKVBLSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)=CCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000309145780 385438079 /nfs/dbraw/zinc/43/80/79/385438079.db2.gz VCOQMJZTAISERF-STQMWFEESA-N 2 1 210.365 2.273 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000179638392 385480164 /nfs/dbraw/zinc/48/01/64/385480164.db2.gz PVGLILSOQXNTSP-LLVKDONJSA-N 2 1 224.373 2.132 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000179638392 385480166 /nfs/dbraw/zinc/48/01/66/385480166.db2.gz PVGLILSOQXNTSP-LLVKDONJSA-N 2 1 224.373 2.132 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@H]1C[C@@H]1C ZINC000309208424 385481203 /nfs/dbraw/zinc/48/12/03/385481203.db2.gz SLBRKXCRXAUKTR-RWMBFGLXSA-N 2 1 212.381 2.352 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@H]1C[C@@H]1C ZINC000309208424 385481208 /nfs/dbraw/zinc/48/12/08/385481208.db2.gz SLBRKXCRXAUKTR-RWMBFGLXSA-N 2 1 212.381 2.352 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@H]1C[C@H]1C ZINC000309208423 385481955 /nfs/dbraw/zinc/48/19/55/385481955.db2.gz SLBRKXCRXAUKTR-FRRDWIJNSA-N 2 1 212.381 2.352 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@H]1C[C@H]1C ZINC000309208423 385481958 /nfs/dbraw/zinc/48/19/58/385481958.db2.gz SLBRKXCRXAUKTR-FRRDWIJNSA-N 2 1 212.381 2.352 20 0 BEADMP CN(c1cc[nH+]c2ccsc21)[C@H]1CC[NH2+]C1 ZINC000643007080 385503288 /nfs/dbraw/zinc/50/32/88/385503288.db2.gz ZBPAVJYWCJLDGG-VIFPVBQESA-N 2 1 233.340 2.094 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)CC[N@H+]1C ZINC000302212373 385504734 /nfs/dbraw/zinc/50/47/34/385504734.db2.gz PYMQNPWHXDBPDP-GRYCIOLGSA-N 2 1 246.345 2.494 20 0 BEADMP CC(C)(C)CCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000309290351 385516384 /nfs/dbraw/zinc/51/63/84/385516384.db2.gz PZVUZXYRHMXSLG-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000172351225 385531458 /nfs/dbraw/zinc/53/14/58/385531458.db2.gz HVWHADZVSWNFEZ-ZDUSSCGKSA-N 2 1 212.381 2.306 20 0 BEADMP CC[NH+](CC)CCC[N@H+](C)CCc1ccccn1 ZINC000171940781 385535960 /nfs/dbraw/zinc/53/59/60/385535960.db2.gz HWOHQIXBBOOYGO-UHFFFAOYSA-N 2 1 249.402 2.288 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](C)CCc1ccccn1 ZINC000171940781 385535961 /nfs/dbraw/zinc/53/59/61/385535961.db2.gz HWOHQIXBBOOYGO-UHFFFAOYSA-N 2 1 249.402 2.288 20 0 BEADMP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000309350398 385542775 /nfs/dbraw/zinc/54/27/75/385542775.db2.gz MYIRTGMBPJBPDZ-IUCAKERBSA-N 2 1 228.286 2.210 20 0 BEADMP CC1(C)CC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000309371247 385554022 /nfs/dbraw/zinc/55/40/22/385554022.db2.gz BZWVDASKOFNOOB-AAEUAGOBSA-N 2 1 222.376 2.391 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1 ZINC000107785200 385584410 /nfs/dbraw/zinc/58/44/10/385584410.db2.gz YPCNYXVGEVQRDO-WCQYABFASA-N 2 1 206.333 2.321 20 0 BEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccnc1 ZINC000181656293 385591739 /nfs/dbraw/zinc/59/17/39/385591739.db2.gz NQQONUPJSLRVTI-GXTWGEPZSA-N 2 1 233.359 2.217 20 0 BEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccnc1 ZINC000181656293 385591743 /nfs/dbraw/zinc/59/17/43/385591743.db2.gz NQQONUPJSLRVTI-GXTWGEPZSA-N 2 1 233.359 2.217 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000394837508 385617270 /nfs/dbraw/zinc/61/72/70/385617270.db2.gz RXGYFVCGPVGNJD-TUVASFSCSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000394837508 385617275 /nfs/dbraw/zinc/61/72/75/385617275.db2.gz RXGYFVCGPVGNJD-TUVASFSCSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000309506954 385639795 /nfs/dbraw/zinc/63/97/95/385639795.db2.gz WCUPNCZEXPWPDP-YJBUHQLJSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@H]1C ZINC000336686120 385698847 /nfs/dbraw/zinc/69/88/47/385698847.db2.gz UMULYPJBJVEETI-XHJNMGKDSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)[C@H]1C ZINC000336686120 385698849 /nfs/dbraw/zinc/69/88/49/385698849.db2.gz UMULYPJBJVEETI-XHJNMGKDSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CC1(C)C ZINC000309568675 385705288 /nfs/dbraw/zinc/70/52/88/385705288.db2.gz MZZWRWWWEZDYFM-DGCLKSJQSA-N 2 1 222.376 2.273 20 0 BEADMP C[C@H](C[NH2+]Cc1ccsc1)C[NH+](C)C ZINC000291800025 385710732 /nfs/dbraw/zinc/71/07/32/385710732.db2.gz XDPKSXRKWDNSHC-SNVBAGLBSA-N 2 1 212.362 2.035 20 0 BEADMP CC(C)CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000336693040 385734719 /nfs/dbraw/zinc/73/47/19/385734719.db2.gz XLBYKBQXZFDGCL-UHFFFAOYSA-N 2 1 241.404 2.340 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000488291045 385734643 /nfs/dbraw/zinc/73/46/43/385734643.db2.gz GVRPXNXETTZCDX-MGPQQGTHSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH2+]CCC[NH2+]Cc1cnc(C2CCC2)s1 ZINC000414859370 385740918 /nfs/dbraw/zinc/74/09/18/385740918.db2.gz MREBVYGHWYIDIB-UHFFFAOYSA-N 2 1 239.388 2.110 20 0 BEADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1CCC1 ZINC000414860678 385743257 /nfs/dbraw/zinc/74/32/57/385743257.db2.gz QDQQJEPGWBIMMC-ZDUSSCGKSA-N 2 1 247.386 2.340 20 0 BEADMP C[C@H](CCC1CC1)[NH2+]C1CC[NH+](C)CC1 ZINC000186213969 385749649 /nfs/dbraw/zinc/74/96/49/385749649.db2.gz WTGDYFIBJCVMLX-LLVKDONJSA-N 2 1 210.365 2.249 20 0 BEADMP CSCC[C@H](C)[N@H+](C)CCn1cc[nH+]c1C ZINC000270865612 385753486 /nfs/dbraw/zinc/75/34/86/385753486.db2.gz KTMNVXBINWCWBT-NSHDSACASA-N 2 1 241.404 2.265 20 0 BEADMP CSCC[C@H](C)[N@@H+](C)CCn1cc[nH+]c1C ZINC000270865612 385753491 /nfs/dbraw/zinc/75/34/91/385753491.db2.gz KTMNVXBINWCWBT-NSHDSACASA-N 2 1 241.404 2.265 20 0 BEADMP C(C[NH2+][C@@H]1CC[NH2+]C1)CC1CCCCC1 ZINC000414863489 385759764 /nfs/dbraw/zinc/75/97/64/385759764.db2.gz ASZXZDVFHZRMMM-CYBMUJFWSA-N 2 1 210.365 2.298 20 0 BEADMP C(CC1CCCCCC1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414864122 385766751 /nfs/dbraw/zinc/76/67/51/385766751.db2.gz BIJNTWCBLKLICG-CYBMUJFWSA-N 2 1 210.365 2.298 20 0 BEADMP C[C@@H](CCc1ccsc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414864882 385767429 /nfs/dbraw/zinc/76/74/29/385767429.db2.gz KLFAPNLODZXGQK-AAEUAGOBSA-N 2 1 238.400 2.411 20 0 BEADMP CCN(CC[C@@H]1CCC[N@H+]1C)Cc1ccncc1 ZINC000271029958 385772503 /nfs/dbraw/zinc/77/25/03/385772503.db2.gz QCOJTHDGBHALOT-HNNXBMFYSA-N 2 1 247.386 2.388 20 0 BEADMP CC[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccncc1 ZINC000271029958 385772505 /nfs/dbraw/zinc/77/25/05/385772505.db2.gz QCOJTHDGBHALOT-HNNXBMFYSA-N 2 1 247.386 2.388 20 0 BEADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccncc1 ZINC000271029958 385772507 /nfs/dbraw/zinc/77/25/07/385772507.db2.gz QCOJTHDGBHALOT-HNNXBMFYSA-N 2 1 247.386 2.388 20 0 BEADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccncc1 ZINC000271029958 385772509 /nfs/dbraw/zinc/77/25/09/385772509.db2.gz QCOJTHDGBHALOT-HNNXBMFYSA-N 2 1 247.386 2.388 20 0 BEADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccncc1 ZINC000271029958 385772511 /nfs/dbraw/zinc/77/25/11/385772511.db2.gz QCOJTHDGBHALOT-HNNXBMFYSA-N 2 1 247.386 2.388 20 0 BEADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000414866514 385780524 /nfs/dbraw/zinc/78/05/24/385780524.db2.gz NATUJLVBXAPYSU-AVGNSLFASA-N 2 1 210.365 2.153 20 0 BEADMP CCOc1ccccc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414947920 385804792 /nfs/dbraw/zinc/80/47/92/385804792.db2.gz LLUGOVBGOYHMQU-OCCSQVGLSA-N 2 1 248.370 2.315 20 0 BEADMP C[C@@H](C[NH3+])[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000414947769 385805905 /nfs/dbraw/zinc/80/59/05/385805905.db2.gz WAVRBZWWWOOTOD-VIFPVBQESA-N 2 1 249.745 2.325 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC2(C)C)CC[N@@H+]1C ZINC000336714787 385812957 /nfs/dbraw/zinc/81/29/57/385812957.db2.gz WHBOPQOZOYFPCL-IJLUTSLNSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC2(C)C)CC[N@H+]1C ZINC000336714787 385812963 /nfs/dbraw/zinc/81/29/63/385812963.db2.gz WHBOPQOZOYFPCL-IJLUTSLNSA-N 2 1 210.365 2.247 20 0 BEADMP CC[NH2+][C@H](C)C[NH2+][C@H](C)Cc1ccccc1F ZINC000414952679 385826046 /nfs/dbraw/zinc/82/60/46/385826046.db2.gz IOTJWLMPOBMHEB-VXGBXAGGSA-N 2 1 238.350 2.344 20 0 BEADMP COc1ccc(C)cc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414954554 385829673 /nfs/dbraw/zinc/82/96/73/385829673.db2.gz SQVHGOHINBEJBX-TZMCWYRMSA-N 2 1 248.370 2.234 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000340469490 385858727 /nfs/dbraw/zinc/85/87/27/385858727.db2.gz KEFWBJLGRACTON-KBPBESRZSA-N 2 1 242.407 2.264 20 0 BEADMP CCC[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)OC ZINC000638115761 385850240 /nfs/dbraw/zinc/85/02/40/385850240.db2.gz FYYOFSZPRHDMAM-HZSPNIEDSA-N 2 1 242.407 2.216 20 0 BEADMP CCC[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)OC ZINC000638115761 385850247 /nfs/dbraw/zinc/85/02/47/385850247.db2.gz FYYOFSZPRHDMAM-HZSPNIEDSA-N 2 1 242.407 2.216 20 0 BEADMP CCC[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)OC ZINC000638115761 385850248 /nfs/dbraw/zinc/85/02/48/385850248.db2.gz FYYOFSZPRHDMAM-HZSPNIEDSA-N 2 1 242.407 2.216 20 0 BEADMP CCC[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)OC ZINC000638115761 385850252 /nfs/dbraw/zinc/85/02/52/385850252.db2.gz FYYOFSZPRHDMAM-HZSPNIEDSA-N 2 1 242.407 2.216 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCCCCF)C1 ZINC000336706140 385792926 /nfs/dbraw/zinc/79/29/26/385792926.db2.gz RIDGGTQFTFPFKG-NEPJUHHUSA-N 2 1 216.344 2.185 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])[C@@H](C)c1ccccc1 ZINC000414945866 385793900 /nfs/dbraw/zinc/79/39/00/385793900.db2.gz RBMZDUIMUARVKE-QJPTWQEYSA-N 2 1 206.333 2.115 20 0 BEADMP CCc1cccc(C[N@@H+](C)CCC[NH3+])c1 ZINC000647847323 385896990 /nfs/dbraw/zinc/89/69/90/385896990.db2.gz JIMOGONNNGBVNZ-UHFFFAOYSA-N 2 1 206.333 2.030 20 0 BEADMP FC1(F)CC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000334492147 385907944 /nfs/dbraw/zinc/90/79/44/385907944.db2.gz FCEYWOREDMHCNS-NEPJUHHUSA-N 2 1 244.329 2.248 20 0 BEADMP CC1(C)[C@@H]2C[N@H+](CCC[NH+]3CCCCC3)C[C@@H]21 ZINC000189047743 385919756 /nfs/dbraw/zinc/91/97/56/385919756.db2.gz LUIMPEVLQAAEMS-OKILXGFUSA-N 2 1 236.403 2.450 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC=CCC1)c1c[nH+]ccc1N ZINC000335032939 385922019 /nfs/dbraw/zinc/92/20/19/385922019.db2.gz CJSIYERUXXHFKG-WDEREUQCSA-N 2 1 217.316 2.253 20 0 BEADMP C[C@H]([NH2+][C@H]1CC=CCC1)c1c[nH+]ccc1N ZINC000335032938 385922085 /nfs/dbraw/zinc/92/20/85/385922085.db2.gz CJSIYERUXXHFKG-QWRGUYRKSA-N 2 1 217.316 2.253 20 0 BEADMP c1ccc([C@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000250825001 385927451 /nfs/dbraw/zinc/92/74/51/385927451.db2.gz WEHQXUMYSGVZNU-ZBFHGGJFSA-N 2 1 244.382 2.476 20 0 BEADMP C[C@H](C[NH2+][C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000414872203 385863318 /nfs/dbraw/zinc/86/33/18/385863318.db2.gz VZZSPZBEIUTSSE-ZFWWWQNUSA-N 2 1 232.371 2.207 20 0 BEADMP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000414872202 385864528 /nfs/dbraw/zinc/86/45/28/385864528.db2.gz VZZSPZBEIUTSSE-UKRRQHHQSA-N 2 1 232.371 2.207 20 0 BEADMP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000414872706 385868769 /nfs/dbraw/zinc/86/87/69/385868769.db2.gz WUXJRWGYQXNABD-ZNMIVQPWSA-N 2 1 230.355 2.132 20 0 BEADMP C[N@@H+](CCCn1ccnc1)Cc1cccs1 ZINC000272027946 385869673 /nfs/dbraw/zinc/86/96/73/385869673.db2.gz WFAFVFNLWZHOOQ-UHFFFAOYSA-N 2 1 235.356 2.467 20 0 BEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000414135920 385983931 /nfs/dbraw/zinc/98/39/31/385983931.db2.gz FCBGWSRJXZPIAM-XDQVBPFNSA-N 2 1 240.391 2.015 20 0 BEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000414135920 385983935 /nfs/dbraw/zinc/98/39/35/385983935.db2.gz FCBGWSRJXZPIAM-XDQVBPFNSA-N 2 1 240.391 2.015 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@H]1C[C@H]1C ZINC000414136475 385984959 /nfs/dbraw/zinc/98/49/59/385984959.db2.gz FOTWEPLOBQCXGB-VOAKCMCISA-N 2 1 212.381 2.349 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@H]1C[C@H]1C ZINC000414136475 385984965 /nfs/dbraw/zinc/98/49/65/385984965.db2.gz FOTWEPLOBQCXGB-VOAKCMCISA-N 2 1 212.381 2.349 20 0 BEADMP CC1(C)CC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000336748375 385985805 /nfs/dbraw/zinc/98/58/05/385985805.db2.gz SRMZXJSTFOXGOM-NSHDSACASA-N 2 1 222.376 2.249 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@](C)(OC)C1 ZINC000338389956 385987307 /nfs/dbraw/zinc/98/73/07/385987307.db2.gz TWCNBZHUBOAWLC-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP Cc1ncsc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000335043807 385935477 /nfs/dbraw/zinc/93/54/77/385935477.db2.gz WZEIHBSLWROPNX-QWRGUYRKSA-N 2 1 239.388 2.201 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@@H]2C)C1 ZINC000414066981 385941956 /nfs/dbraw/zinc/94/19/56/385941956.db2.gz IMGYRMKSBHITDD-REWJHTLYSA-N 2 1 224.392 2.352 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CCC1CC1 ZINC000336746529 385949296 /nfs/dbraw/zinc/94/92/96/385949296.db2.gz RLSHSJLSDMRUFT-NSHDSACASA-N 2 1 221.348 2.360 20 0 BEADMP CC[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)[C@@H]1C[C@H]1C ZINC000414085910 385954075 /nfs/dbraw/zinc/95/40/75/385954075.db2.gz YXYIQZYIDLLNQL-RUZUBIRVSA-N 2 1 224.392 2.351 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000335013362 385968337 /nfs/dbraw/zinc/96/83/37/385968337.db2.gz UEBFBFPMVWTYNZ-ZIAGYGMSSA-N 2 1 233.359 2.140 20 0 BEADMP CC(C)(C)C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414880615 385975021 /nfs/dbraw/zinc/97/50/21/385975021.db2.gz QQIHDJMCONATBZ-UHFFFAOYSA-N 2 1 235.375 2.197 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(Cl)cc1C ZINC000414974080 386004941 /nfs/dbraw/zinc/00/49/41/386004941.db2.gz CXVQQZYATCKZEK-LBPRGKRZSA-N 2 1 226.751 2.475 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(C)c1C ZINC000414974293 386009233 /nfs/dbraw/zinc/00/92/33/386009233.db2.gz DIWNGZFTDVAPMQ-CYBMUJFWSA-N 2 1 206.333 2.130 20 0 BEADMP COCC[C@H](C)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000345146731 386012543 /nfs/dbraw/zinc/01/25/43/386012543.db2.gz BSMFEWGHWCJZSG-MJBXVCDLSA-N 2 1 242.407 2.264 20 0 BEADMP COCC[C@H](C)[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000345146731 386012546 /nfs/dbraw/zinc/01/25/46/386012546.db2.gz BSMFEWGHWCJZSG-MJBXVCDLSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@H]1C[C@H]1C ZINC000414191451 386029567 /nfs/dbraw/zinc/02/95/67/386029567.db2.gz RYPGHNVLTJJKGS-SYQHCUMBSA-N 2 1 224.392 2.352 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]C/C=C/c1ccc(F)cc1F ZINC000414979221 386042922 /nfs/dbraw/zinc/04/29/22/386042922.db2.gz NEGVPZHXODNVHY-AAOUONPWSA-N 2 1 240.297 2.305 20 0 BEADMP C[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@@H]1C[C@H]1C ZINC000414157057 386043260 /nfs/dbraw/zinc/04/32/60/386043260.db2.gz XGIWUFRNALTLKW-JHJVBQTASA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@@H]1C[C@H]1C ZINC000414157057 386043261 /nfs/dbraw/zinc/04/32/61/386043261.db2.gz XGIWUFRNALTLKW-JHJVBQTASA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1[C@H]([NH2+][C@H]2CC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000414884694 386048118 /nfs/dbraw/zinc/04/81/18/386048118.db2.gz OOQVVOTXNPRZOG-CYUUQNCZSA-N 2 1 230.355 2.130 20 0 BEADMP F[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000414291499 386101893 /nfs/dbraw/zinc/10/18/93/386101893.db2.gz UKOXHEIBSBABER-XJFOESAGSA-N 2 1 240.366 2.484 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000414985231 386103937 /nfs/dbraw/zinc/10/39/37/386103937.db2.gz WBTWUESAQVSTBS-NSHDSACASA-N 2 1 247.317 2.201 20 0 BEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccoc2C)C1 ZINC000414301417 386109364 /nfs/dbraw/zinc/10/93/64/386109364.db2.gz MWVFOXZUKSUOPI-CYBMUJFWSA-N 2 1 236.359 2.410 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccoc2C)C1 ZINC000414301417 386109367 /nfs/dbraw/zinc/10/93/67/386109367.db2.gz MWVFOXZUKSUOPI-CYBMUJFWSA-N 2 1 236.359 2.410 20 0 BEADMP COC1([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCC1 ZINC000414311381 386113311 /nfs/dbraw/zinc/11/33/11/386113311.db2.gz UTHUOCRNJRNUCL-FRRDWIJNSA-N 2 1 240.391 2.016 20 0 BEADMP COC1([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000414311381 386113317 /nfs/dbraw/zinc/11/33/17/386113317.db2.gz UTHUOCRNJRNUCL-FRRDWIJNSA-N 2 1 240.391 2.016 20 0 BEADMP COC1([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC000414311382 386113341 /nfs/dbraw/zinc/11/33/41/386113341.db2.gz UTHUOCRNJRNUCL-RWMBFGLXSA-N 2 1 240.391 2.016 20 0 BEADMP COC1([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC000414311382 386113349 /nfs/dbraw/zinc/11/33/49/386113349.db2.gz UTHUOCRNJRNUCL-RWMBFGLXSA-N 2 1 240.391 2.016 20 0 BEADMP CCCC[N@H+](CCN)Cc1ccccc1 ZINC000038033230 386114888 /nfs/dbraw/zinc/11/48/88/386114888.db2.gz IHJWTFPSDOUJBO-UHFFFAOYSA-N 2 1 206.333 2.247 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414665691 386115174 /nfs/dbraw/zinc/11/51/74/386115174.db2.gz FMDIOSRBXSCSQL-BPUTZDHNSA-N 2 1 244.382 2.331 20 0 BEADMP CCc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000414889956 386119491 /nfs/dbraw/zinc/11/94/91/386119491.db2.gz GVPOCCWZUBOCKM-AWEZNQCLSA-N 2 1 218.344 2.076 20 0 BEADMP Cc1cncc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)c1 ZINC000274575941 386120812 /nfs/dbraw/zinc/12/08/12/386120812.db2.gz IEPXNUYUPBBAPG-CHWSQXEVSA-N 2 1 235.375 2.381 20 0 BEADMP CC[C@H]1CC[C@H]1[NH2+]CCC[N@@H+](C)C(C)C ZINC000336771829 386061995 /nfs/dbraw/zinc/06/19/95/386061995.db2.gz WZUVBHZLWLONQL-QWHCGFSZSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1c(C)cc(C)cc1C ZINC000414982124 386062688 /nfs/dbraw/zinc/06/26/88/386062688.db2.gz RLBPOAWFLJGYRA-CYBMUJFWSA-N 2 1 220.360 2.439 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000414981757 386068638 /nfs/dbraw/zinc/06/86/38/386068638.db2.gz BZWJZLZCDYPPHL-AWEZNQCLSA-N 2 1 243.354 2.370 20 0 BEADMP C[C@@H](CCc1ccccc1F)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414886493 386075211 /nfs/dbraw/zinc/07/52/11/386075211.db2.gz PZFWXWJVPNEQKU-WCQYABFASA-N 2 1 236.334 2.098 20 0 BEADMP c1ccc(C[C@@H]2CCC[C@H]2[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414886743 386078043 /nfs/dbraw/zinc/07/80/43/386078043.db2.gz QKVRXHYFZWJNQZ-ARFHVFGLSA-N 2 1 244.382 2.349 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]CCC1CCOCC1 ZINC000310366159 386180586 /nfs/dbraw/zinc/18/05/86/386180586.db2.gz WDJCQUQBKZQBPA-CYBMUJFWSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]CCC1CCOCC1 ZINC000310366159 386180592 /nfs/dbraw/zinc/18/05/92/386180592.db2.gz WDJCQUQBKZQBPA-CYBMUJFWSA-N 2 1 242.407 2.121 20 0 BEADMP Cc1nc2c(s1)[C@H]([N@@H+](C)CCC[NH3+])CCC2 ZINC000414692717 386183660 /nfs/dbraw/zinc/18/36/60/386183660.db2.gz KXHNPHGUXRJKDK-LLVKDONJSA-N 2 1 239.388 2.110 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000310429086 386183997 /nfs/dbraw/zinc/18/39/97/386183997.db2.gz MSKQCNUTWGXNMQ-QWHCGFSZSA-N 2 1 242.407 2.262 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000310429086 386184001 /nfs/dbraw/zinc/18/40/01/386184001.db2.gz MSKQCNUTWGXNMQ-QWHCGFSZSA-N 2 1 242.407 2.262 20 0 BEADMP COC1CCC([N@@H+](C)C[C@@H](N)CC(C)C)CC1 ZINC000414691033 386184789 /nfs/dbraw/zinc/18/47/89/386184789.db2.gz IKFUGRJNFDAAJZ-HSBZDZAISA-N 2 1 242.407 2.249 20 0 BEADMP [NH3+]CCC[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000414670292 386133973 /nfs/dbraw/zinc/13/39/73/386133973.db2.gz CWBUKZCFOABMBB-ZDUSSCGKSA-N 2 1 210.365 2.380 20 0 BEADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647874408 386136245 /nfs/dbraw/zinc/13/62/45/386136245.db2.gz RZFCFJDUKODIBQ-NWDGAFQWSA-N 2 1 236.334 2.428 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@]1(C)CCCO1 ZINC000340259220 386139360 /nfs/dbraw/zinc/13/93/60/386139360.db2.gz PCJHIZFGSAMFOG-RQJABVFESA-N 2 1 240.391 2.016 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@]1(C)CCCO1 ZINC000340259220 386139365 /nfs/dbraw/zinc/13/93/65/386139365.db2.gz PCJHIZFGSAMFOG-RQJABVFESA-N 2 1 240.391 2.016 20 0 BEADMP CCCC[N@@H+](CCOC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414701164 386201605 /nfs/dbraw/zinc/20/16/05/386201605.db2.gz UBNVRQYRPRSPKU-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP CC[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)C1CCC1 ZINC000414704293 386213854 /nfs/dbraw/zinc/21/38/54/386213854.db2.gz MVBZBSBYDOSZIV-NEPJUHHUSA-N 2 1 210.365 2.249 20 0 BEADMP COc1ccccc1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414897651 386214989 /nfs/dbraw/zinc/21/49/89/386214989.db2.gz FDWAISWISZGALL-OAHLLOKOSA-N 2 1 248.370 2.175 20 0 BEADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCC[NH3+])C1(CC)CC ZINC000414704071 386215965 /nfs/dbraw/zinc/21/59/65/386215965.db2.gz JEXHXUNDIIFAGS-CHWSQXEVSA-N 2 1 242.407 2.251 20 0 BEADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CCC[NH3+] ZINC000414707057 386216136 /nfs/dbraw/zinc/21/61/36/386216136.db2.gz NJOIFMFQZSCKFU-TZMCWYRMSA-N 2 1 218.344 2.213 20 0 BEADMP CC[C@H](C[N@H+]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000347028711 386221279 /nfs/dbraw/zinc/22/12/79/386221279.db2.gz VWDBSXWWFHBUOT-UONOGXRCSA-N 2 1 232.371 2.461 20 0 BEADMP Cc1ccccc1[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647883910 386246210 /nfs/dbraw/zinc/24/62/10/386246210.db2.gz JQPHPGOPQQYECN-CABCVRRESA-N 2 1 244.382 2.394 20 0 BEADMP Cc1ccccc1[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647883912 386246277 /nfs/dbraw/zinc/24/62/77/386246277.db2.gz JQPHPGOPQQYECN-HUUCEWRRSA-N 2 1 244.382 2.394 20 0 BEADMP CCCCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125344994 386250127 /nfs/dbraw/zinc/25/01/27/386250127.db2.gz AGNNIWCLQKYANJ-XQQFMLRXSA-N 2 1 210.365 2.236 20 0 BEADMP CC[N@@H+](CCn1ccnc1C)C1CCC1 ZINC000336649092 386261339 /nfs/dbraw/zinc/26/13/39/386261339.db2.gz QHUAVTMGGFZVNO-UHFFFAOYSA-N 2 1 207.321 2.066 20 0 BEADMP CC[N@H+](CCn1cc[nH+]c1C)C1CCC1 ZINC000336649092 386261342 /nfs/dbraw/zinc/26/13/42/386261342.db2.gz QHUAVTMGGFZVNO-UHFFFAOYSA-N 2 1 207.321 2.066 20 0 BEADMP CC[N@@H+](CCn1cc[nH+]c1C)C1CCC1 ZINC000336649092 386261345 /nfs/dbraw/zinc/26/13/45/386261345.db2.gz QHUAVTMGGFZVNO-UHFFFAOYSA-N 2 1 207.321 2.066 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@H]1C[C@@H](OCC)C1(C)C ZINC000414693092 386192715 /nfs/dbraw/zinc/19/27/15/386192715.db2.gz DLNHAMLHEMFOJN-QWHCGFSZSA-N 2 1 242.407 2.251 20 0 BEADMP CCCCO[C@H]1C[C@H]([N@@H+](C)CCC[NH3+])C1(C)C ZINC000414696044 386195663 /nfs/dbraw/zinc/19/56/63/386195663.db2.gz AULASGGQKUCTAW-STQMWFEESA-N 2 1 242.407 2.251 20 0 BEADMP COCC1(C[NH2+]CCC[N@@H+](C)C(C)C)CCC1 ZINC000310535689 386195805 /nfs/dbraw/zinc/19/58/05/386195805.db2.gz RDFQQUAPUWSGIO-UHFFFAOYSA-N 2 1 242.407 2.123 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+]CCC1CCOCC1 ZINC000310531197 386196181 /nfs/dbraw/zinc/19/61/81/386196181.db2.gz ZHYQZXLSVYTFQT-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]CCC1CCOCC1 ZINC000310531197 386196185 /nfs/dbraw/zinc/19/61/85/386196185.db2.gz ZHYQZXLSVYTFQT-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@H](C[NH+](C)C)Nc1cc[nH+]c2ccsc21 ZINC000336663859 386283735 /nfs/dbraw/zinc/28/37/35/386283735.db2.gz DPXJQKBZXVMHDM-SECBINFHSA-N 2 1 235.356 2.080 20 0 BEADMP CCC[C@H](C)[N@@H+](C)CCc1cncn1C ZINC000297877342 386284179 /nfs/dbraw/zinc/28/41/79/386284179.db2.gz QFHLKVWAWJCKBZ-NSHDSACASA-N 2 1 209.337 2.083 20 0 BEADMP CC[N@H+](CCn1cc[nH+]c1C)CC1CCC1 ZINC000336663913 386284515 /nfs/dbraw/zinc/28/45/15/386284515.db2.gz XFKHTJBJCIADKK-UHFFFAOYSA-N 2 1 221.348 2.314 20 0 BEADMP CC[N@@H+](CCn1cc[nH+]c1C)CC1CCC1 ZINC000336663913 386284516 /nfs/dbraw/zinc/28/45/16/386284516.db2.gz XFKHTJBJCIADKK-UHFFFAOYSA-N 2 1 221.348 2.314 20 0 BEADMP Cc1ccc(C[C@@H](C)[N@@H+](C)C[C@H]2CC[NH2+]C2)cc1 ZINC000647886092 386294183 /nfs/dbraw/zinc/29/41/83/386294183.db2.gz PZSZCUFLZUATQV-ZBFHGGJFSA-N 2 1 246.398 2.467 20 0 BEADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647885885 386297113 /nfs/dbraw/zinc/29/71/13/386297113.db2.gz DRFTWKROMNKOCK-YCPHGPKFSA-N 2 1 244.382 2.474 20 0 BEADMP Cc1ccncc1C[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414738289 386316280 /nfs/dbraw/zinc/31/62/80/386316280.db2.gz JAWYYYCAMWOYLV-KBPBESRZSA-N 2 1 247.386 2.210 20 0 BEADMP C[C@@H](C1CCCCC1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647988777 386319631 /nfs/dbraw/zinc/31/96/31/386319631.db2.gz KSPAVCSDHUAPEM-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP CC1(C)C[N@@H+](C[C@@H]2CC[NH2+]C2)Cc2ccccc21 ZINC000647988842 386320511 /nfs/dbraw/zinc/32/05/11/386320511.db2.gz VYDGXKNZFHPHMZ-CYBMUJFWSA-N 2 1 244.382 2.389 20 0 BEADMP CC(C)[C@H](C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000125525853 386264700 /nfs/dbraw/zinc/26/47/00/386264700.db2.gz MMZDYVMYPSYFCZ-LBPRGKRZSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647884994 386270703 /nfs/dbraw/zinc/27/07/03/386270703.db2.gz VJZIPQPXLXQQED-MQYQWHSLSA-N 2 1 222.376 2.249 20 0 BEADMP Cc1ccncc1CCC[NH2+]C1CC[NH+](C)CC1 ZINC000289248780 386277373 /nfs/dbraw/zinc/27/73/73/386277373.db2.gz LPXZXQCKUUKRLC-UHFFFAOYSA-N 2 1 247.386 2.006 20 0 BEADMP C[C@@]1(c2ccccc2)CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647890171 386366639 /nfs/dbraw/zinc/36/66/39/386366639.db2.gz WSOIPYCXMNFCPP-GOEBONIOSA-N 2 1 244.382 2.260 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC2CC2)C1 ZINC000336696119 386373962 /nfs/dbraw/zinc/37/39/62/386373962.db2.gz IHIWISKNEILLDL-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC000336696119 386373967 /nfs/dbraw/zinc/37/39/67/386373967.db2.gz IHIWISKNEILLDL-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC000336696119 386373972 /nfs/dbraw/zinc/37/39/72/386373972.db2.gz IHIWISKNEILLDL-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP CC(C)CC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335275901 386336342 /nfs/dbraw/zinc/33/63/42/386336342.db2.gz BCEJLUOANBYPCP-CYBMUJFWSA-N 2 1 224.392 2.497 20 0 BEADMP CCOC1CC([N@@H+](C)CCC[NH+](CC)CC)C1 ZINC000347443672 386406494 /nfs/dbraw/zinc/40/64/94/386406494.db2.gz GBVRFDCYVJMZRD-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000442664171 386413220 /nfs/dbraw/zinc/41/32/20/386413220.db2.gz LRWSUEPIAQFOKD-IUODEOHRSA-N 2 1 247.386 2.237 20 0 BEADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000442664171 386413223 /nfs/dbraw/zinc/41/32/23/386413223.db2.gz LRWSUEPIAQFOKD-IUODEOHRSA-N 2 1 247.386 2.237 20 0 BEADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000442664523 386415838 /nfs/dbraw/zinc/41/58/38/386415838.db2.gz MIVLPTMPCXHEAK-SMDDNHRTSA-N 2 1 236.334 2.180 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000442664523 386415846 /nfs/dbraw/zinc/41/58/46/386415846.db2.gz MIVLPTMPCXHEAK-SMDDNHRTSA-N 2 1 236.334 2.180 20 0 BEADMP C[C@H]([NH3+])C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000442664607 386420406 /nfs/dbraw/zinc/42/04/06/386420406.db2.gz MRDOPOUQMALLCF-NSHDSACASA-N 2 1 236.334 2.385 20 0 BEADMP C[C@H]([NH3+])C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000442664607 386420409 /nfs/dbraw/zinc/42/04/09/386420409.db2.gz MRDOPOUQMALLCF-NSHDSACASA-N 2 1 236.334 2.385 20 0 BEADMP CSCCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339426541 386422263 /nfs/dbraw/zinc/42/22/63/386422263.db2.gz NVCSJECGEDQRIK-CYBMUJFWSA-N 2 1 242.432 2.157 20 0 BEADMP CSCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339426541 386422267 /nfs/dbraw/zinc/42/22/67/386422267.db2.gz NVCSJECGEDQRIK-CYBMUJFWSA-N 2 1 242.432 2.157 20 0 BEADMP CCSCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339434377 386425267 /nfs/dbraw/zinc/42/52/67/386425267.db2.gz JYSWUILMXVVVOE-ZDUSSCGKSA-N 2 1 242.432 2.157 20 0 BEADMP CCSCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339434377 386425275 /nfs/dbraw/zinc/42/52/75/386425275.db2.gz JYSWUILMXVVVOE-ZDUSSCGKSA-N 2 1 242.432 2.157 20 0 BEADMP CCSCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339434377 386425279 /nfs/dbraw/zinc/42/52/79/386425279.db2.gz JYSWUILMXVVVOE-ZDUSSCGKSA-N 2 1 242.432 2.157 20 0 BEADMP CCC[C@@H](C)C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414775182 386470165 /nfs/dbraw/zinc/47/01/65/386470165.db2.gz GGRRLAQFAOEXBC-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP CCC[C@@H](C)C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414775182 386470170 /nfs/dbraw/zinc/47/01/70/386470170.db2.gz GGRRLAQFAOEXBC-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]1C[N@@H+](CCCc2ccncc2)CC[C@@H]1[NH3+] ZINC000647934482 386479460 /nfs/dbraw/zinc/47/94/60/386479460.db2.gz GXQUJUQYYXROGD-CABCVRRESA-N 2 1 247.386 2.073 20 0 BEADMP C[C@H](Cc1ccccc1)C[N@@H+](C)C1CC([NH3+])C1 ZINC000414778489 386487983 /nfs/dbraw/zinc/48/79/83/386487983.db2.gz QEMYLKRHUDLFRZ-LRVUVFPRSA-N 2 1 232.371 2.287 20 0 BEADMP CCc1cc(OC)ccc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000414779458 386491202 /nfs/dbraw/zinc/49/12/02/386491202.db2.gz REWLZBBTSOFAIO-UHFFFAOYSA-N 2 1 248.370 2.179 20 0 BEADMP CC(C)Oc1cccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])c1 ZINC000415013469 386495452 /nfs/dbraw/zinc/49/54/52/386495452.db2.gz VCXFROPIGGKYQN-NEPJUHHUSA-N 2 1 236.359 2.299 20 0 BEADMP CC(C)CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000165030623 386496166 /nfs/dbraw/zinc/49/61/66/386496166.db2.gz AVYBVBKYXPLCCL-CHWSQXEVSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1coc2ccccc12 ZINC000415015730 386500125 /nfs/dbraw/zinc/50/01/25/386500125.db2.gz ZCVSLBZAFIGQJZ-UWVGGRQHSA-N 2 1 218.300 2.258 20 0 BEADMP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1Cl ZINC000415014963 386501125 /nfs/dbraw/zinc/50/11/25/386501125.db2.gz MOGCKIWEQVUINL-NXEZZACHSA-N 2 1 226.751 2.474 20 0 BEADMP Cc1cc(Cl)ccc1C[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000415022558 386512437 /nfs/dbraw/zinc/51/24/37/386512437.db2.gz VLXACXXRLZXCMW-UWVGGRQHSA-N 2 1 226.751 2.474 20 0 BEADMP C[N@@H+](CCC1CC[NH2+]CC1)CC1CCC1 ZINC000061482963 386517802 /nfs/dbraw/zinc/51/78/02/386517802.db2.gz RUDLECZIYVRORI-UHFFFAOYSA-N 2 1 210.365 2.108 20 0 BEADMP Oc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000335451335 386523996 /nfs/dbraw/zinc/52/39/96/386523996.db2.gz IGGKOKDBDYPQMG-CQSZACIVSA-N 2 1 246.354 2.111 20 0 BEADMP CCOc1ccccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414916850 386525563 /nfs/dbraw/zinc/52/55/63/386525563.db2.gz PGHFGZQPAQRZMU-CQSZACIVSA-N 2 1 248.370 2.317 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000339512242 386457529 /nfs/dbraw/zinc/45/75/29/386457529.db2.gz MHFIFFXRPKMPGP-GOEBONIOSA-N 2 1 244.382 2.474 20 0 BEADMP CCCc1cccc(C[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000414799044 386576163 /nfs/dbraw/zinc/57/61/63/386576163.db2.gz DCBJVRSPWVFNIN-HNNXBMFYSA-N 2 1 232.371 2.466 20 0 BEADMP CC(C)[C@@H](C[NH2+][C@H]1CCC[NH2+]C1)c1cccnc1 ZINC000415076661 386576790 /nfs/dbraw/zinc/57/67/90/386576790.db2.gz DGPOINDCIVWWGR-LSDHHAIUSA-N 2 1 247.386 2.163 20 0 BEADMP CC1CCC(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000414922005 386591798 /nfs/dbraw/zinc/59/17/98/386591798.db2.gz FPNGQQVVKUQSMG-GNRIBBGQSA-N 2 1 224.392 2.400 20 0 BEADMP CCCC[N@H+]1C[C@@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337043374 386592852 /nfs/dbraw/zinc/59/28/52/386592852.db2.gz CVEFKETZJLARFP-HUUCEWRRSA-N 2 1 232.371 2.461 20 0 BEADMP C[C@H](CCC1CC1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000414922759 386593125 /nfs/dbraw/zinc/59/31/25/386593125.db2.gz GLWXWZNVPIHNPD-WZRBSPASSA-N 2 1 210.365 2.153 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@H](C)C[NH3+])cc1C ZINC000414922650 386595257 /nfs/dbraw/zinc/59/52/57/386595257.db2.gz CTHZEBZCTQRURC-GFCCVEGCSA-N 2 1 206.333 2.049 20 0 BEADMP CSc1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000414788361 386533391 /nfs/dbraw/zinc/53/33/91/386533391.db2.gz DLFMQIRXHGMJJA-CYBMUJFWSA-N 2 1 238.400 2.481 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789072 386536973 /nfs/dbraw/zinc/53/69/73/386536973.db2.gz XUFANYGWCGZELO-MJBXVCDLSA-N 2 1 224.392 2.354 20 0 BEADMP CC[C@@H]1C[C@@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)CCO1 ZINC000415056046 386538486 /nfs/dbraw/zinc/53/84/86/386538486.db2.gz PDXNFQBDIMHKJM-YNEHKIRRSA-N 2 1 242.407 2.155 20 0 BEADMP CC[C@]1(C)CC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000399381385 386540261 /nfs/dbraw/zinc/54/02/61/386540261.db2.gz WZTXXYHTLKULCN-CYBMUJFWSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@]1(C)CC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000399381385 386540267 /nfs/dbraw/zinc/54/02/67/386540267.db2.gz WZTXXYHTLKULCN-CYBMUJFWSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@@]1(C)CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000399386456 386540707 /nfs/dbraw/zinc/54/07/07/386540707.db2.gz RIUVNBMEEYTJOP-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP COc1ccccc1/C=C\C[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414790397 386543059 /nfs/dbraw/zinc/54/30/59/386543059.db2.gz ACXLRYSNICJQGU-SDQPKGBYSA-N 2 1 246.354 2.035 20 0 BEADMP C[C@@H](CC1CC1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415063934 386543710 /nfs/dbraw/zinc/54/37/10/386543710.db2.gz JGPKWROQYBCDEK-GWCFXTLKSA-N 2 1 210.365 2.282 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414791515 386548431 /nfs/dbraw/zinc/54/84/31/386548431.db2.gz BKIGHQLYVKKXJM-WXHSDQCUSA-N 2 1 210.365 2.140 20 0 BEADMP NC[C@@H]([NH2+]Cc1cccc2cccnc21)C1CC1 ZINC000414791471 386550167 /nfs/dbraw/zinc/55/01/67/386550167.db2.gz BGMTXYVKCUGGMS-CQSZACIVSA-N 2 1 241.338 2.062 20 0 BEADMP [NH3+]C[C@@H]([NH2+]Cc1cccc2cccnc21)C1CC1 ZINC000414791471 386550171 /nfs/dbraw/zinc/55/01/71/386550171.db2.gz BGMTXYVKCUGGMS-CQSZACIVSA-N 2 1 241.338 2.062 20 0 BEADMP C(C1CCC1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976491 386571462 /nfs/dbraw/zinc/57/14/62/386571462.db2.gz PMUQGZKWINISHH-HUUCEWRRSA-N 2 1 236.403 2.498 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000414795164 386572121 /nfs/dbraw/zinc/57/21/21/386572121.db2.gz MTFPKWWSNLQCST-VQTKUKTRSA-N 2 1 236.334 2.412 20 0 BEADMP CC[N@@H+](C[C@@]1(C)CC[NH2+]C1)C1CC(C)(C)C1 ZINC000415122794 386627171 /nfs/dbraw/zinc/62/71/71/386627171.db2.gz LXMXBHBWZCVSPK-AWEZNQCLSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000049708876 386637205 /nfs/dbraw/zinc/63/72/05/386637205.db2.gz PYOLQBREACEXHT-OCCSQVGLSA-N 2 1 218.344 2.164 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CC1CCOCC1 ZINC000414818447 386656380 /nfs/dbraw/zinc/65/63/80/386656380.db2.gz VVFOVSSMFMWVHO-GXTWGEPZSA-N 2 1 242.407 2.299 20 0 BEADMP CC(C)([NH3+])C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000414803647 386600694 /nfs/dbraw/zinc/60/06/94/386600694.db2.gz MGOFVCSRNRUSHM-UHFFFAOYSA-N 2 1 248.370 2.302 20 0 BEADMP C[C@@H](C[NH2+][C@H]1CCC[NH2+]C1)Cc1cccs1 ZINC000415085452 386601893 /nfs/dbraw/zinc/60/18/93/386601893.db2.gz QPUVPCCPBUPTPO-NEPJUHHUSA-N 2 1 238.400 2.268 20 0 BEADMP C[C@H](CC1CCCC1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414802025 386603458 /nfs/dbraw/zinc/60/34/58/386603458.db2.gz HPZCXMSFWFEQSL-ZWNOBZJWSA-N 2 1 210.365 2.282 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(OC)cc1 ZINC000414805828 386606483 /nfs/dbraw/zinc/60/64/83/386606483.db2.gz AZWQPMXWUWVHIU-CYBMUJFWSA-N 2 1 236.359 2.302 20 0 BEADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414817364 386655099 /nfs/dbraw/zinc/65/50/99/386655099.db2.gz ZJZCRUCZHLRXAR-IINYFYTJSA-N 2 1 236.334 2.084 20 0 BEADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000453427424 386611595 /nfs/dbraw/zinc/61/15/95/386611595.db2.gz ZOYWZOWNCJMZCE-XJFOESAGSA-N 2 1 240.391 2.016 20 0 BEADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000453427424 386611600 /nfs/dbraw/zinc/61/16/00/386611600.db2.gz ZOYWZOWNCJMZCE-XJFOESAGSA-N 2 1 240.391 2.016 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+]C[C@@H]1CCO[C@@H](CC)C1 ZINC000414808186 386611636 /nfs/dbraw/zinc/61/16/36/386611636.db2.gz DPSSRSQLZPVJIO-MCIONIFRSA-N 2 1 242.407 2.299 20 0 BEADMP [NH3+]C[C@@H]([NH2+]C/C=C/c1ccc(F)cc1)C1CC1 ZINC000414807924 386612757 /nfs/dbraw/zinc/61/27/57/386612757.db2.gz RTSPXHBBRLXOIZ-VSZDKKFSSA-N 2 1 234.318 2.166 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC000414923991 386613336 /nfs/dbraw/zinc/61/33/36/386613336.db2.gz JBHJTWQDTNZBKZ-FDYHWXHSSA-N 2 1 210.365 2.153 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC000414808188 386613193 /nfs/dbraw/zinc/61/31/93/386613193.db2.gz DPSSRSQLZPVJIO-MGPQQGTHSA-N 2 1 242.407 2.299 20 0 BEADMP CC(C)Oc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000414806456 386615042 /nfs/dbraw/zinc/61/50/42/386615042.db2.gz QJAZVJNJJWBGDG-OAHLLOKOSA-N 2 1 248.370 2.301 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000414806415 386615357 /nfs/dbraw/zinc/61/53/57/386615357.db2.gz BSENNLNLTAPISC-CYBMUJFWSA-N 2 1 246.358 2.170 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000335495422 386616277 /nfs/dbraw/zinc/61/62/77/386616277.db2.gz ILBCOEYYZMDQGS-ZWNOBZJWSA-N 2 1 218.344 2.346 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H](C)CCc1ccsc1 ZINC000414926356 386661073 /nfs/dbraw/zinc/66/10/73/386661073.db2.gz KBIVBRMIUNCZSH-VHSXEESVSA-N 2 1 212.362 2.006 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000414819539 386661156 /nfs/dbraw/zinc/66/11/56/386661156.db2.gz AKHWMBYRAFGHKT-HUUCEWRRSA-N 2 1 232.371 2.207 20 0 BEADMP CCc1cccc(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000520428553 386672328 /nfs/dbraw/zinc/67/23/28/386672328.db2.gz XZKJGJZXZSXJSO-UHFFFAOYSA-N 2 1 232.371 2.434 20 0 BEADMP CC[NH2+]CC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000414822695 386674476 /nfs/dbraw/zinc/67/44/76/386674476.db2.gz FINFGDYGBYHDGD-LLVKDONJSA-N 2 1 224.323 2.128 20 0 BEADMP Cc1ccoc1C[N@H+](C)CCn1cc[nH+]c1C ZINC000292469115 386676969 /nfs/dbraw/zinc/67/69/69/386676969.db2.gz ZNXNZOSYYMTXQE-UHFFFAOYSA-N 2 1 233.315 2.225 20 0 BEADMP Cc1ccoc1C[N@@H+](C)CCn1cc[nH+]c1C ZINC000292469115 386676973 /nfs/dbraw/zinc/67/69/73/386676973.db2.gz ZNXNZOSYYMTXQE-UHFFFAOYSA-N 2 1 233.315 2.225 20 0 BEADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CC1CCOCC1 ZINC000414818449 386656953 /nfs/dbraw/zinc/65/69/53/386656953.db2.gz VVFOVSSMFMWVHO-OCCSQVGLSA-N 2 1 242.407 2.299 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCCc2ccccc21 ZINC000335469348 386686325 /nfs/dbraw/zinc/68/63/25/386686325.db2.gz ZRDOZHFTOYMLCE-BXUZGUMPSA-N 2 1 218.344 2.391 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CCCC[C@@H]1C ZINC000394834717 386691712 /nfs/dbraw/zinc/69/17/12/386691712.db2.gz QDKDOBKEPNTEEC-QWHCGFSZSA-N 2 1 212.381 2.354 20 0 BEADMP C[NH2+]CC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000414828982 386700815 /nfs/dbraw/zinc/70/08/15/386700815.db2.gz LTLPOJRRBOCYQD-KGLIPLIRSA-N 2 1 218.344 2.132 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414828917 386700851 /nfs/dbraw/zinc/70/08/51/386700851.db2.gz LNAKLPJCFHVWFO-CABCVRRESA-N 2 1 232.371 2.306 20 0 BEADMP Cc1cc[nH+]c(N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000292632894 386701040 /nfs/dbraw/zinc/70/10/40/386701040.db2.gz ABBBOBIZYXYCTJ-AWEZNQCLSA-N 2 1 245.370 2.312 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000414828984 386702093 /nfs/dbraw/zinc/70/20/93/386702093.db2.gz LTLPOJRRBOCYQD-ZIAGYGMSSA-N 2 1 218.344 2.132 20 0 BEADMP CCC1CC([NH2+]CC[N@H+](CC)C(C)C)C1 ZINC000336760244 386707897 /nfs/dbraw/zinc/70/78/97/386707897.db2.gz LQKWPMSWVVQKPD-UHFFFAOYSA-N 2 1 212.381 2.495 20 0 BEADMP CCC1CC([NH2+]CC[N@@H+](CC)C(C)C)C1 ZINC000336760244 386707907 /nfs/dbraw/zinc/70/79/07/386707907.db2.gz LQKWPMSWVVQKPD-UHFFFAOYSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C[C@@H](C)C1 ZINC000414929363 386732491 /nfs/dbraw/zinc/73/24/91/386732491.db2.gz NUFNGLGMBXHAMO-BJJPWKGXSA-N 2 1 224.392 2.399 20 0 BEADMP Cc1ccc(CCC[NH2+][C@@H](C[NH3+])CC(C)C)cn1 ZINC000414838989 386740773 /nfs/dbraw/zinc/74/07/73/386740773.db2.gz LFVFOMJKGSABRX-OAHLLOKOSA-N 2 1 249.402 2.286 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CC[C@@H](C(C)C)[C@H](C)C1 ZINC000414833669 386713077 /nfs/dbraw/zinc/71/30/77/386713077.db2.gz STFKRFKASILRDU-UPJWGTAASA-N 2 1 212.381 2.256 20 0 BEADMP C[NH2+]CC[NH2+]CCCc1c(F)cccc1Cl ZINC000414833505 386713726 /nfs/dbraw/zinc/71/37/26/386713726.db2.gz SHLCVCZQHKPQBT-UHFFFAOYSA-N 2 1 244.741 2.221 20 0 BEADMP CC(C)CCC[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414834693 386722609 /nfs/dbraw/zinc/72/26/09/386722609.db2.gz GXWABHMTWXJFEJ-GFCCVEGCSA-N 2 1 200.370 2.386 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](CC)C[C@H](C)CC ZINC000414835566 386728318 /nfs/dbraw/zinc/72/83/18/386728318.db2.gz VDOKHXVVPRGKOV-VXGBXAGGSA-N 2 1 200.370 2.400 20 0 BEADMP COC1(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC000336663985 386753738 /nfs/dbraw/zinc/75/37/38/386753738.db2.gz WSABQULOYXKJDD-QWHCGFSZSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000414931265 386761025 /nfs/dbraw/zinc/76/10/25/386761025.db2.gz RBMZDUIMUARVKE-UTUOFQBUSA-N 2 1 206.333 2.115 20 0 BEADMP CCCc1cccc(C[NH2+][C@H](C)C[NH3+])c1 ZINC000414931523 386764852 /nfs/dbraw/zinc/76/48/52/386764852.db2.gz RLJWUMTXHBFLBK-LLVKDONJSA-N 2 1 206.333 2.076 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000335537715 386743295 /nfs/dbraw/zinc/74/32/95/386743295.db2.gz BBOPMJHIWCGSDZ-AAEUAGOBSA-N 2 1 222.376 2.439 20 0 BEADMP [NH3+]C[C@@H]([NH2+]C[C@@H]1CCSC1)C1CCCCC1 ZINC000414838976 386743597 /nfs/dbraw/zinc/74/35/97/386743597.db2.gz LDYNQODVJDSZAH-WCQYABFASA-N 2 1 242.432 2.237 20 0 BEADMP NC[C@H]1CCC[N@@H+]1Cc1cccc2cccnc21 ZINC000020247171 386790909 /nfs/dbraw/zinc/79/09/09/386790909.db2.gz MPCOHLFPTLNTCU-CQSZACIVSA-N 2 1 241.338 2.158 20 0 BEADMP NC[C@H]1CCC[N@H+]1Cc1cccc2cccnc21 ZINC000020247171 386790917 /nfs/dbraw/zinc/79/09/17/386790917.db2.gz MPCOHLFPTLNTCU-CQSZACIVSA-N 2 1 241.338 2.158 20 0 BEADMP Cc1ccc(C)c(OCC[NH+]2CCC([NH3+])CC2)c1 ZINC000020266797 386793805 /nfs/dbraw/zinc/79/38/05/386793805.db2.gz JDMRJRYGQUFQDO-UHFFFAOYSA-N 2 1 248.370 2.105 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1F ZINC000414844426 386772391 /nfs/dbraw/zinc/77/23/91/386772391.db2.gz RGIYEUCZNWNUEM-SECBINFHSA-N 2 1 244.741 2.424 20 0 BEADMP Cc1ccncc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397259229 386774823 /nfs/dbraw/zinc/77/48/23/386774823.db2.gz GQAFCUSFRGGFQM-IHRRRGAJSA-N 2 1 247.386 2.195 20 0 BEADMP Cc1ccncc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397259236 386775458 /nfs/dbraw/zinc/77/54/58/386775458.db2.gz GQAFCUSFRGGFQM-MJBXVCDLSA-N 2 1 247.386 2.195 20 0 BEADMP C[C@H](C[NH2+][C@H](C)c1cncc(F)c1)C[NH+](C)C ZINC000336667480 386783751 /nfs/dbraw/zinc/78/37/51/386783751.db2.gz ACCUSAZSCNGUMD-GHMZBOCLSA-N 2 1 239.338 2.069 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)nc2)[C@H]1C ZINC000293415243 386816588 /nfs/dbraw/zinc/81/65/88/386816588.db2.gz MTTVJRTUCJZBLC-NEPJUHHUSA-N 2 1 242.326 2.108 20 0 BEADMP CC(C)C[C@H](C)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000414935554 386819506 /nfs/dbraw/zinc/81/95/06/386819506.db2.gz UJKIRITWQYRNIZ-XQQFMLRXSA-N 2 1 212.381 2.256 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC000044535441 386822927 /nfs/dbraw/zinc/82/29/27/386822927.db2.gz LTGKJPKMHFOWFL-ZDUSSCGKSA-N 2 1 236.334 2.257 20 0 BEADMP CC[C@H](O)CCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000398503309 386833582 /nfs/dbraw/zinc/83/35/82/386833582.db2.gz KNKAPQKFSQSGDR-GLQYFDAESA-N 2 1 248.370 2.272 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000414936839 386842468 /nfs/dbraw/zinc/84/24/68/386842468.db2.gz WVVWQLLBLZFKTA-KWCYVHTRSA-N 2 1 218.344 2.260 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)Nc1cc[nH+]cc1C ZINC000341134857 386845783 /nfs/dbraw/zinc/84/57/83/386845783.db2.gz GMIYANINDSGYQB-CYBMUJFWSA-N 2 1 235.375 2.344 20 0 BEADMP Cc1ccc(F)c(C[NH2+]C2(C)CC[NH2+]CC2)c1 ZINC000334844892 386892114 /nfs/dbraw/zinc/89/21/14/386892114.db2.gz WAWHLSQDFBRRAV-UHFFFAOYSA-N 2 1 236.334 2.366 20 0 BEADMP C[C@H](CCc1ccccc1)C[NH2+][C@H](C)C[NH3+] ZINC000414939554 386861706 /nfs/dbraw/zinc/86/17/06/386861706.db2.gz YWUMETSTWLJWDQ-CHWSQXEVSA-N 2 1 220.360 2.192 20 0 BEADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+]C1CCCCC1 ZINC000334846500 386894288 /nfs/dbraw/zinc/89/42/88/386894288.db2.gz BZWRXWDWELWGGY-JTQLQIEISA-N 2 1 232.318 2.154 20 0 BEADMP CC(C)c1ccc(CC[NH2+][C@@H](C)C[NH3+])cc1 ZINC000414940652 386871497 /nfs/dbraw/zinc/87/14/97/386871497.db2.gz HPZRDDCWYAITTH-LBPRGKRZSA-N 2 1 220.360 2.289 20 0 BEADMP CC[N@H+](CC[NH2+][C@H]1CCC1(C)C)C(C)C ZINC000336744934 386883238 /nfs/dbraw/zinc/88/32/38/386883238.db2.gz AAQPVGHHMGXJRS-LBPRGKRZSA-N 2 1 212.381 2.495 20 0 BEADMP CC[N@@H+](CC[NH2+][C@H]1CCC1(C)C)C(C)C ZINC000336744934 386883244 /nfs/dbraw/zinc/88/32/44/386883244.db2.gz AAQPVGHHMGXJRS-LBPRGKRZSA-N 2 1 212.381 2.495 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC000334847950 386895954 /nfs/dbraw/zinc/89/59/54/386895954.db2.gz YQMBMWVMRSMCJZ-ZJUUUORDSA-N 2 1 240.297 2.324 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000414943429 386905301 /nfs/dbraw/zinc/90/53/01/386905301.db2.gz LTLGGEZNIGGYCP-CFVMTHIKSA-N 2 1 232.371 2.335 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000414943431 386906070 /nfs/dbraw/zinc/90/60/70/386906070.db2.gz LTLGGEZNIGGYCP-QEJZJMRPSA-N 2 1 232.371 2.335 20 0 BEADMP c1cncc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000334867978 386926723 /nfs/dbraw/zinc/92/67/23/386926723.db2.gz HEOBKYZNFJNTQQ-LSDHHAIUSA-N 2 1 245.370 2.046 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCSCC1 ZINC000336763302 386957160 /nfs/dbraw/zinc/95/71/60/386957160.db2.gz OZEYHTXJCOFPIQ-NSHDSACASA-N 2 1 230.421 2.200 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCSCC1 ZINC000336763302 386957166 /nfs/dbraw/zinc/95/71/66/386957166.db2.gz OZEYHTXJCOFPIQ-NSHDSACASA-N 2 1 230.421 2.200 20 0 BEADMP C[C@@H]1CC[C@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC000334890102 386962564 /nfs/dbraw/zinc/96/25/64/386962564.db2.gz MSJUVDAKKWLQKF-KGLIPLIRSA-N 2 1 233.359 2.395 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCCCF)C1 ZINC000341876315 386980988 /nfs/dbraw/zinc/98/09/88/386980988.db2.gz NEJBQHYJPWCKHJ-LBPRGKRZSA-N 2 1 216.344 2.010 20 0 BEADMP CC[C@H]([NH2+]C[C@H](C)[NH+](CC)CC)[C@H]1CCOC1 ZINC000359034444 387046366 /nfs/dbraw/zinc/04/63/66/387046366.db2.gz JSIUYTSQUZXTCD-IHRRRGAJSA-N 2 1 242.407 2.121 20 0 BEADMP CCOc1cccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000126795804 387048472 /nfs/dbraw/zinc/04/84/72/387048472.db2.gz XULNXZAYXDGLLO-OCCSQVGLSA-N 2 1 248.370 2.254 20 0 BEADMP CC(C)[C@@](C)([NH2+]CC[C@H]1CCC[N@H+]1C)C(N)=O ZINC000331344257 387017025 /nfs/dbraw/zinc/01/70/25/387017025.db2.gz LECTZHWCMOOBFF-DGCLKSJQSA-N 2 1 241.379 2.010 20 0 BEADMP COCc1cccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000216074618 387028134 /nfs/dbraw/zinc/02/81/34/387028134.db2.gz VZZIDNWGCVDTRL-SWLSCSKDSA-N 2 1 248.370 2.002 20 0 BEADMP C(C1CCC1)[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000334983476 387069773 /nfs/dbraw/zinc/06/97/73/387069773.db2.gz MRKFJDNIHQLZGQ-KGLIPLIRSA-N 2 1 222.376 2.251 20 0 BEADMP N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1c1ccccc1F ZINC000334983794 387071385 /nfs/dbraw/zinc/07/13/85/387071385.db2.gz PTBZHAVTAJLAIE-DZGCQCFKSA-N 2 1 248.345 2.352 20 0 BEADMP N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1c1ccccc1F ZINC000334983794 387071389 /nfs/dbraw/zinc/07/13/89/387071389.db2.gz PTBZHAVTAJLAIE-DZGCQCFKSA-N 2 1 248.345 2.352 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000111695441 387084449 /nfs/dbraw/zinc/08/44/49/387084449.db2.gz LUGQPGHOCHXCEI-RYUDHWBXSA-N 2 1 236.334 2.385 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000111695441 387084455 /nfs/dbraw/zinc/08/44/55/387084455.db2.gz LUGQPGHOCHXCEI-RYUDHWBXSA-N 2 1 236.334 2.385 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000111695438 387084898 /nfs/dbraw/zinc/08/48/98/387084898.db2.gz LUGQPGHOCHXCEI-VXGBXAGGSA-N 2 1 236.334 2.385 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000111695438 387084905 /nfs/dbraw/zinc/08/49/05/387084905.db2.gz LUGQPGHOCHXCEI-VXGBXAGGSA-N 2 1 236.334 2.385 20 0 BEADMP CCSCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000370649351 387131310 /nfs/dbraw/zinc/13/13/10/387131310.db2.gz DNIHTQNKRRWTME-UHFFFAOYSA-N 2 1 242.432 2.300 20 0 BEADMP CCSCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000370649351 387131316 /nfs/dbraw/zinc/13/13/16/387131316.db2.gz DNIHTQNKRRWTME-UHFFFAOYSA-N 2 1 242.432 2.300 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CC1(C)C ZINC000353086770 387115243 /nfs/dbraw/zinc/11/52/43/387115243.db2.gz WQAHTBWUWDSHKA-LBPRGKRZSA-N 2 1 233.359 2.283 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000335028893 387123055 /nfs/dbraw/zinc/12/30/55/387123055.db2.gz ZSNJXHFXILSWEH-CABCVRRESA-N 2 1 247.386 2.448 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000335028903 387123213 /nfs/dbraw/zinc/12/32/13/387123213.db2.gz ZSNJXHFXILSWEH-LSDHHAIUSA-N 2 1 247.386 2.448 20 0 BEADMP Cc1cc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc(C)n1 ZINC000335029637 387125501 /nfs/dbraw/zinc/12/55/01/387125501.db2.gz OCYOWHVWMSYHOB-GJZGRUSLSA-N 2 1 247.386 2.448 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000228909346 387127293 /nfs/dbraw/zinc/12/72/93/387127293.db2.gz JXRCHDMRMSOKSP-XHJNMGKDSA-N 2 1 224.392 2.493 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)s1 ZINC000423325055 387144178 /nfs/dbraw/zinc/14/41/78/387144178.db2.gz PWNOGFSSEKWNFV-KOLCDFICSA-N 2 1 224.373 2.444 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)s1 ZINC000423325057 387144499 /nfs/dbraw/zinc/14/44/99/387144499.db2.gz PWNOGFSSEKWNFV-ONGXEEELSA-N 2 1 224.373 2.444 20 0 BEADMP C[C@H](F)CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000352393913 387145584 /nfs/dbraw/zinc/14/55/84/387145584.db2.gz DXMQZHOUTHWDRE-LBPRGKRZSA-N 2 1 216.344 2.152 20 0 BEADMP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)c(C)c1 ZINC000423310393 387147065 /nfs/dbraw/zinc/14/70/65/387147065.db2.gz AGBDJPXRLJLEQB-NHYWBVRUSA-N 2 1 248.370 2.392 20 0 BEADMP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423311245 387149679 /nfs/dbraw/zinc/14/96/79/387149679.db2.gz BJRMSADHVBMIRR-IINYFYTJSA-N 2 1 234.343 2.083 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423312837 387151048 /nfs/dbraw/zinc/15/10/48/387151048.db2.gz DUQKZPYQMLQLAQ-FZMZJTMJSA-N 2 1 218.344 2.383 20 0 BEADMP CCC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccnc1 ZINC000423313305 387152204 /nfs/dbraw/zinc/15/22/04/387152204.db2.gz FKPXKDOXYJIXQH-ZIAGYGMSSA-N 2 1 233.359 2.250 20 0 BEADMP CCOc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423314449 387154615 /nfs/dbraw/zinc/15/46/15/387154615.db2.gz HHEYXHDDOAXAHW-NHYWBVRUSA-N 2 1 248.370 2.473 20 0 BEADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)C[NH3+])[C@H](C)C2 ZINC000423315639 387157347 /nfs/dbraw/zinc/15/73/47/387157347.db2.gz ACYZFOPSEBLXPQ-JTNHKYCSSA-N 2 1 218.344 2.165 20 0 BEADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccco1 ZINC000423319142 387159174 /nfs/dbraw/zinc/15/91/74/387159174.db2.gz CYZRKZDDAGXLLQ-WCQYABFASA-N 2 1 222.332 2.320 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000423319324 387159575 /nfs/dbraw/zinc/15/95/75/387159575.db2.gz FFMWKQWEEDPBLC-RFHZTLPTSA-N 2 1 218.344 2.115 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000423319850 387162094 /nfs/dbraw/zinc/16/20/94/387162094.db2.gz FSTYBNZASCTDSB-MNOVXSKESA-N 2 1 218.344 2.173 20 0 BEADMP CC[C@H]([NH2+][C@H](C)C[NH3+])c1cccc(F)c1 ZINC000423322107 387164469 /nfs/dbraw/zinc/16/44/69/387164469.db2.gz INMTXBLGRFBPDC-SKDRFNHKSA-N 2 1 210.296 2.214 20 0 BEADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000423323223 387165857 /nfs/dbraw/zinc/16/58/57/387165857.db2.gz OQXXLLWYNYAUGU-GWCFXTLKSA-N 2 1 204.317 2.075 20 0 BEADMP CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(OC)c1 ZINC000423321673 387166187 /nfs/dbraw/zinc/16/61/87/387166187.db2.gz NKKLTVFQNFBEHP-GJZGRUSLSA-N 2 1 248.370 2.473 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000423324277 387168600 /nfs/dbraw/zinc/16/86/00/387168600.db2.gz KLLIEVMRAXJVLY-VNHYZAJKSA-N 2 1 248.370 2.091 20 0 BEADMP C[C@H]1CC[C@@H]([N@H+](C)CCCc2c[nH+]cn2C)C1 ZINC000571891783 387193403 /nfs/dbraw/zinc/19/34/03/387193403.db2.gz BFSQSCYPAYJQQR-QWHCGFSZSA-N 2 1 235.375 2.473 20 0 BEADMP C[C@H]1CC[C@@H]([N@@H+](C)CCCc2c[nH+]cn2C)C1 ZINC000571891783 387193407 /nfs/dbraw/zinc/19/34/07/387193407.db2.gz BFSQSCYPAYJQQR-QWHCGFSZSA-N 2 1 235.375 2.473 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000423334895 387180077 /nfs/dbraw/zinc/18/00/77/387180077.db2.gz SWZCQTNHALXBBV-MRVWCRGKSA-N 2 1 248.370 2.169 20 0 BEADMP [NH3+][C@@H](C[NH2+][C@H]1CCCOc2ccccc21)C1CC1 ZINC000423338450 387187934 /nfs/dbraw/zinc/18/79/34/387187934.db2.gz ZFHMDOZNHPKCGL-KBPBESRZSA-N 2 1 246.354 2.227 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]1COCC ZINC000423302628 387134280 /nfs/dbraw/zinc/13/42/80/387134280.db2.gz VYDQXCJNAXTKBK-MGPQQGTHSA-N 2 1 242.407 2.299 20 0 BEADMP COc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])c(C)c1 ZINC000423325027 387134703 /nfs/dbraw/zinc/13/47/03/387134703.db2.gz LLQBDDYLFFLDLH-GHMZBOCLSA-N 2 1 222.332 2.001 20 0 BEADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1csc(Cl)c1 ZINC000423303400 387136214 /nfs/dbraw/zinc/13/62/14/387136214.db2.gz LLROSHHOBAQQFZ-SSDOTTSWSA-N 2 1 230.764 2.272 20 0 BEADMP CC[C@H]1CCCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423303430 387136747 /nfs/dbraw/zinc/13/67/47/387136747.db2.gz LNYMFBWFLGQALI-RWMBFGLXSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423355469 387205099 /nfs/dbraw/zinc/20/50/99/387205099.db2.gz FOPWZKDYRDKYOX-ITGHMWBKSA-N 2 1 224.392 2.399 20 0 BEADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C[NH3+])[C@H](C)C2 ZINC000423357361 387208366 /nfs/dbraw/zinc/20/83/66/387208366.db2.gz ACYZFOPSEBLXPQ-UHIISALHSA-N 2 1 218.344 2.165 20 0 BEADMP C[C@@H](C[NH3+])[NH2+]Cc1cc2ccccc2s1 ZINC000162030544 387209059 /nfs/dbraw/zinc/20/90/59/387209059.db2.gz MLZCZPCCTUUILM-VIFPVBQESA-N 2 1 220.341 2.338 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc2c(c1)CCC2 ZINC000423360557 387212683 /nfs/dbraw/zinc/21/26/83/387212683.db2.gz FSTYBNZASCTDSB-WDEREUQCSA-N 2 1 218.344 2.173 20 0 BEADMP CC[NH2+]CCC[NH2+][C@H](CC)c1ccc(F)cn1 ZINC000571991810 387217468 /nfs/dbraw/zinc/21/74/68/387217468.db2.gz XHZADAKFZPWHFE-GFCCVEGCSA-N 2 1 239.338 2.261 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000423369275 387220230 /nfs/dbraw/zinc/22/02/30/387220230.db2.gz OAKSTQRNDXNQNM-YUTCNCBUSA-N 2 1 218.344 2.260 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c(C)c1 ZINC000094338949 387222178 /nfs/dbraw/zinc/22/21/78/387222178.db2.gz LTOCQTFKTFIULR-HIFRSBDPSA-N 2 1 232.371 2.473 20 0 BEADMP CCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000094339172 387223237 /nfs/dbraw/zinc/22/32/37/387223237.db2.gz QJMRYCNSBGAUPI-IUODEOHRSA-N 2 1 248.370 2.254 20 0 BEADMP C[C@@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)C1CCSCC1 ZINC000423371256 387224088 /nfs/dbraw/zinc/22/40/88/387224088.db2.gz UYOJQCGPMLOQKW-WZRBSPASSA-N 2 1 242.432 2.106 20 0 BEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCc3ccccc3)C[C@@H]12 ZINC000336796092 387225771 /nfs/dbraw/zinc/22/57/71/387225771.db2.gz PKKFEZHLSSWPSW-ARFHVFGLSA-N 2 1 244.382 2.288 20 0 BEADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C[NH3+] ZINC000423371984 387227879 /nfs/dbraw/zinc/22/78/79/387227879.db2.gz QRZLZXBJFFSKEL-FZMZJTMJSA-N 2 1 238.350 2.330 20 0 BEADMP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423427171 387253292 /nfs/dbraw/zinc/25/32/92/387253292.db2.gz IIIDVACFTXLHRU-LJISPDSOSA-N 2 1 246.329 2.011 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cccc(O)c1 ZINC000423398750 387235110 /nfs/dbraw/zinc/23/51/10/387235110.db2.gz VKOBLRYIUQSSFG-MDZLAQPJSA-N 2 1 234.343 2.183 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000423405232 387240694 /nfs/dbraw/zinc/24/06/94/387240694.db2.gz SXQHQARAVFJWRO-OUJBWJOFSA-N 2 1 204.317 2.172 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000161545593 387240859 /nfs/dbraw/zinc/24/08/59/387240859.db2.gz LWSSCNPFALWXKV-HIFRSBDPSA-N 2 1 247.386 2.005 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000161545478 387241415 /nfs/dbraw/zinc/24/14/15/387241415.db2.gz LWSSCNPFALWXKV-UKRRQHHQSA-N 2 1 247.386 2.005 20 0 BEADMP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)o1 ZINC000423409746 387244848 /nfs/dbraw/zinc/24/48/48/387244848.db2.gz ZDLLFFFFKMQFTJ-GMXVVIOVSA-N 2 1 236.359 2.491 20 0 BEADMP CCc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)o1 ZINC000423409747 387245368 /nfs/dbraw/zinc/24/53/68/387245368.db2.gz ZDLLFFFFKMQFTJ-GVXVVHGQSA-N 2 1 236.359 2.491 20 0 BEADMP CCc1cccnc1[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423409720 387246800 /nfs/dbraw/zinc/24/68/00/387246800.db2.gz ZBPUVVLANGQORM-DYEKYZERSA-N 2 1 247.386 2.293 20 0 BEADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423418840 387249255 /nfs/dbraw/zinc/24/92/55/387249255.db2.gz AHVKRTXOQXLNTF-WPEGABGTSA-N 2 1 242.366 2.351 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1C ZINC000423427144 387251989 /nfs/dbraw/zinc/25/19/89/387251989.db2.gz IGRYSTUHOSBBCG-SPWCGHHHSA-N 2 1 230.355 2.172 20 0 BEADMP Cc1ccnc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC000423349305 387200154 /nfs/dbraw/zinc/20/01/54/387200154.db2.gz VMZKGHDMYHVRFA-DZGCQCFKSA-N 2 1 247.386 2.430 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H]2C[C@@H]2C)CC1 ZINC000321912470 387312335 /nfs/dbraw/zinc/31/23/35/387312335.db2.gz PSVNIYOBRJDYEA-LOWVWBTDSA-N 2 1 210.365 2.105 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000423463697 387312374 /nfs/dbraw/zinc/31/23/74/387312374.db2.gz LMYQMOZVGUMEBK-LQJRIPTKSA-N 2 1 236.334 2.386 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](CC)c1ccccc1 ZINC000423467660 387315385 /nfs/dbraw/zinc/31/53/85/387315385.db2.gz NZKSLINVPWGMBA-OLZOCXBDSA-N 2 1 206.333 2.465 20 0 BEADMP COc1ccc([C@@H](C)[C@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423374402 387254229 /nfs/dbraw/zinc/25/42/29/387254229.db2.gz SVBUHGBKMRLPML-SRVKXCTJSA-N 2 1 236.359 2.124 20 0 BEADMP Cc1cccc(C[C@H]([NH2+][C@@H](C)C[NH3+])C2CC2)c1 ZINC000423374777 387255109 /nfs/dbraw/zinc/25/51/09/387255109.db2.gz SZKPFHPQQXFPHG-WFASDCNBSA-N 2 1 232.371 2.253 20 0 BEADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423374403 387255506 /nfs/dbraw/zinc/25/55/06/387255506.db2.gz SVBUHGBKMRLPML-TUAOUCFPSA-N 2 1 236.359 2.124 20 0 BEADMP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000423376420 387258121 /nfs/dbraw/zinc/25/81/21/387258121.db2.gz JETFOXCDPUZKAO-SGMGOOAPSA-N 2 1 233.359 2.181 20 0 BEADMP COCCC[C@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423379716 387262910 /nfs/dbraw/zinc/26/29/10/387262910.db2.gz GUBIERMILJOULR-STQMWFEESA-N 2 1 242.407 2.169 20 0 BEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccoc2C)C1 ZINC000321508000 387266796 /nfs/dbraw/zinc/26/67/96/387266796.db2.gz HNHUUYWXCPWBQK-LBPRGKRZSA-N 2 1 222.332 2.019 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccoc2C)C1 ZINC000321508000 387266799 /nfs/dbraw/zinc/26/67/99/387266799.db2.gz HNHUUYWXCPWBQK-LBPRGKRZSA-N 2 1 222.332 2.019 20 0 BEADMP CC[NH2+][C@H](C)C[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000423386949 387271408 /nfs/dbraw/zinc/27/14/08/387271408.db2.gz SEJAOPMEFOOQER-FRRDWIJNSA-N 2 1 242.407 2.166 20 0 BEADMP Cc1ccnc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000423389336 387272763 /nfs/dbraw/zinc/27/27/63/387272763.db2.gz JIXZBSURWCNQCP-AVGNSLFASA-N 2 1 233.359 2.039 20 0 BEADMP Cc1ccnc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000423389338 387274529 /nfs/dbraw/zinc/27/45/29/387274529.db2.gz JIXZBSURWCNQCP-RWMBFGLXSA-N 2 1 233.359 2.039 20 0 BEADMP C[NH2+]CCC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000643498356 387277700 /nfs/dbraw/zinc/27/77/00/387277700.db2.gz BWYIVHKSJQVJLP-CYBMUJFWSA-N 2 1 240.297 2.151 20 0 BEADMP COc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])c(C)c1 ZINC000423392215 387279228 /nfs/dbraw/zinc/27/92/28/387279228.db2.gz LLQBDDYLFFLDLH-QWRGUYRKSA-N 2 1 222.332 2.001 20 0 BEADMP COc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])c(C)c1 ZINC000423392216 387279769 /nfs/dbraw/zinc/27/97/69/387279769.db2.gz LLQBDDYLFFLDLH-WDEREUQCSA-N 2 1 222.332 2.001 20 0 BEADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])CCC2 ZINC000423441789 387292192 /nfs/dbraw/zinc/29/21/92/387292192.db2.gz JKSIABRQEXZYOX-KHQFGBGNSA-N 2 1 239.388 2.154 20 0 BEADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])CC2 ZINC000423444740 387294480 /nfs/dbraw/zinc/29/44/80/387294480.db2.gz MAHDNQYZFZZLCD-MISXGVKJSA-N 2 1 218.344 2.308 20 0 BEADMP Fc1ccc([C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CC2)cc1 ZINC000423445944 387294792 /nfs/dbraw/zinc/29/47/92/387294792.db2.gz YJRYLUGFFMXOGH-BARDWOONSA-N 2 1 246.329 2.084 20 0 BEADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Cl)cc1 ZINC000423444657 387295519 /nfs/dbraw/zinc/29/55/19/387295519.db2.gz WYPFZQNGXBDXHZ-HWNAMQAFSA-N 2 1 236.746 2.208 20 0 BEADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])CC2 ZINC000423444738 387295633 /nfs/dbraw/zinc/29/56/33/387295633.db2.gz MAHDNQYZFZZLCD-JTNHKYCSSA-N 2 1 218.344 2.308 20 0 BEADMP CC(C)c1ccc(C[NH2+][C@H](C)C[NH3+])cc1 ZINC000162044029 387296511 /nfs/dbraw/zinc/29/65/11/387296511.db2.gz WQZRBJAUQPAAQT-LLVKDONJSA-N 2 1 206.333 2.247 20 0 BEADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000423449565 387297568 /nfs/dbraw/zinc/29/75/68/387297568.db2.gz RUXLIRNXFYKPJQ-MJVIPROJSA-N 2 1 218.344 2.308 20 0 BEADMP CCc1nc(C)c([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])s1 ZINC000423454704 387301553 /nfs/dbraw/zinc/30/15/53/387301553.db2.gz ZKVMYDMEVSYLOR-HLTSFMKQSA-N 2 1 241.404 2.400 20 0 BEADMP CCC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1cccnc1 ZINC000423453728 387301823 /nfs/dbraw/zinc/30/18/23/387301823.db2.gz XYFNCFFRBRKSRF-LOWVWBTDSA-N 2 1 221.348 2.248 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000423454979 387302113 /nfs/dbraw/zinc/30/21/13/387302113.db2.gz ZUPAQJOWVOIVBL-DCAQKATOSA-N 2 1 234.343 2.103 20 0 BEADMP C[C@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc21 ZINC000423454333 387302525 /nfs/dbraw/zinc/30/25/25/387302525.db2.gz LLXHREMCCYGZFJ-FRDLFTECSA-N 2 1 228.339 2.042 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000423456612 387304678 /nfs/dbraw/zinc/30/46/78/387304678.db2.gz DTHPEQXVHMHIBJ-NXEZZACHSA-N 2 1 239.388 2.156 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000423461638 387308154 /nfs/dbraw/zinc/30/81/54/387308154.db2.gz JZMJYXLXHYLHET-GXFFZTMASA-N 2 1 249.358 2.033 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000423461481 387308750 /nfs/dbraw/zinc/30/87/50/387308750.db2.gz JROGTFGCBCJKNT-XBFCOCLRSA-N 2 1 236.359 2.090 20 0 BEADMP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423529246 387359471 /nfs/dbraw/zinc/35/94/71/387359471.db2.gz XMEVYWCTKBJSPC-UONOGXRCSA-N 2 1 248.370 2.024 20 0 BEADMP C([NH2+][C@@H]1CC[C@@H]1C1CCC1)[C@H]1CCCC[NH2+]1 ZINC000643502744 387364373 /nfs/dbraw/zinc/36/43/73/387364373.db2.gz OYQTZUBJNWCWQZ-MGPQQGTHSA-N 2 1 222.376 2.297 20 0 BEADMP CC[C@@H](C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423540179 387366568 /nfs/dbraw/zinc/36/65/68/387366568.db2.gz DAJJHZUIZUMWPK-NXEZZACHSA-N 2 1 207.321 2.191 20 0 BEADMP C([NH2+][C@H]1CCC12CCCC2)[C@H]1CCCC[NH2+]1 ZINC000643502544 387366732 /nfs/dbraw/zinc/36/67/32/387366732.db2.gz JTSRJYQNRHCKLN-OLZOCXBDSA-N 2 1 222.376 2.441 20 0 BEADMP CC[C@@H]1C[C@H]([NH2+][C@H](C)c2c[nH+]ccc2N)CCO1 ZINC000423558370 387375288 /nfs/dbraw/zinc/37/52/88/387375288.db2.gz SJAWENNSDYTSGD-IJLUTSLNSA-N 2 1 249.358 2.102 20 0 BEADMP c1cc2c(o1)CCC[C@@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423559759 387376218 /nfs/dbraw/zinc/37/62/18/387376218.db2.gz OYNCAGDZBMNSOE-ZDUSSCGKSA-N 2 1 234.343 2.389 20 0 BEADMP CO[C@H](C)[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373522736 387377886 /nfs/dbraw/zinc/37/78/86/387377886.db2.gz OAFOMBMOBIJYIQ-MRFVTOPCSA-N 2 1 240.391 2.016 20 0 BEADMP Cc1cc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cs1 ZINC000423478069 387323462 /nfs/dbraw/zinc/32/34/62/387323462.db2.gz UKQGBLXULOZNEN-AEJSXWLSSA-N 2 1 212.362 2.443 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000423476485 387324746 /nfs/dbraw/zinc/32/47/46/387324746.db2.gz SMWJAAIMPBKNGX-WCQYABFASA-N 2 1 222.307 2.140 20 0 BEADMP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cs1 ZINC000423478304 387325486 /nfs/dbraw/zinc/32/54/86/387325486.db2.gz UKQGBLXULOZNEN-GUBZILKMSA-N 2 1 212.362 2.443 20 0 BEADMP C[C@@H]([NH2+][C@H](c1cccnc1)C1CCC1)[C@H](C)[NH3+] ZINC000423479961 387326408 /nfs/dbraw/zinc/32/64/08/387326408.db2.gz VSEXVUSBGSKFOY-WDMOLILDSA-N 2 1 233.359 2.248 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](c1cccnc1)C(C)C ZINC000423485978 387331697 /nfs/dbraw/zinc/33/16/97/387331697.db2.gz ZHVRTQDBTBORJI-CHWSQXEVSA-N 2 1 221.348 2.106 20 0 BEADMP C[C@@H](C[NH3+])[NH2+]Cc1ccc2ccccc2c1 ZINC000162056066 387332836 /nfs/dbraw/zinc/33/28/36/387332836.db2.gz FBFVZQWBRPJVES-NSHDSACASA-N 2 1 214.312 2.277 20 0 BEADMP CC[C@H]1C[C@H]([NH2+]C[C@@H](C)[NH+](CC)CC)CCO1 ZINC000648562722 387333956 /nfs/dbraw/zinc/33/39/56/387333956.db2.gz KBDXXYUAKZGFPI-MCIONIFRSA-N 2 1 242.407 2.264 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000515096812 387335937 /nfs/dbraw/zinc/33/59/37/387335937.db2.gz TUDYZPCAZPMTJP-BFHYXJOUSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000515096812 387335943 /nfs/dbraw/zinc/33/59/43/387335943.db2.gz TUDYZPCAZPMTJP-BFHYXJOUSA-N 2 1 242.407 2.120 20 0 BEADMP CC[C@@H](C)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372992402 387338408 /nfs/dbraw/zinc/33/84/08/387338408.db2.gz WYOSFVZSHGKXMG-CHWSQXEVSA-N 2 1 212.381 2.449 20 0 BEADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccncc1 ZINC000423502134 387343703 /nfs/dbraw/zinc/34/37/03/387343703.db2.gz LUOZEOXQCBYZSM-BXUZGUMPSA-N 2 1 233.359 2.250 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)[C@@H]1C ZINC000423505280 387343716 /nfs/dbraw/zinc/34/37/16/387343716.db2.gz OHAMOFNXIOGIJN-AAXDQBDMSA-N 2 1 210.365 2.138 20 0 BEADMP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000423509717 387345271 /nfs/dbraw/zinc/34/52/71/387345271.db2.gz IXVXUNDYJTUATF-HUUCEWRRSA-N 2 1 248.370 2.106 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000321989896 387345321 /nfs/dbraw/zinc/34/53/21/387345321.db2.gz DWWGNUCUHUVTGH-UPJWGTAASA-N 2 1 212.381 2.351 20 0 BEADMP Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000643454110 387383804 /nfs/dbraw/zinc/38/38/04/387383804.db2.gz WCKDPCSAZNOWIT-HLTSFMKQSA-N 2 1 225.336 2.068 20 0 BEADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CCC1 ZINC000304004848 387428006 /nfs/dbraw/zinc/42/80/06/387428006.db2.gz SYEMWLFCOLLZIC-NWDGAFQWSA-N 2 1 242.432 2.202 20 0 BEADMP Cc1ccncc1CCC[N@H+]1CCC[C@H](O)CC1 ZINC000354750979 387428154 /nfs/dbraw/zinc/42/81/54/387428154.db2.gz XAFLVTKPUJQMRD-HNNXBMFYSA-N 2 1 248.370 2.169 20 0 BEADMP CC[C@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000082847467 387392879 /nfs/dbraw/zinc/39/28/79/387392879.db2.gz SQEJTPZAELNHKX-RWMBFGLXSA-N 2 1 210.365 2.297 20 0 BEADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000361071065 387396810 /nfs/dbraw/zinc/39/68/10/387396810.db2.gz ZVGFHAZYWLXNTB-MJBXVCDLSA-N 2 1 242.407 2.120 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccoc1 ZINC000643474797 387496165 /nfs/dbraw/zinc/49/61/65/387496165.db2.gz MHUNDDLMGTWEQU-ZYHUDNBSSA-N 2 1 208.305 2.072 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCC(OC)CC1 ZINC000355294091 387514064 /nfs/dbraw/zinc/51/40/64/387514064.db2.gz RWXMZBMCZQVDHT-IYXRBSQSSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@H](CC[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000300050416 387518650 /nfs/dbraw/zinc/51/86/50/387518650.db2.gz ZQXCVGMYELTCKF-UMVBOHGHSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@H](CC[N@H+]1C[C@@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000300050416 387518654 /nfs/dbraw/zinc/51/86/54/387518654.db2.gz ZQXCVGMYELTCKF-UMVBOHGHSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@@H]1CC[N@@H+](CC2(F)CC2)C[C@@H]1n1ccnc1 ZINC000527220054 387535191 /nfs/dbraw/zinc/53/51/91/387535191.db2.gz RQXBENSFSZHNFW-NEPJUHHUSA-N 2 1 237.322 2.268 20 0 BEADMP CC1(C)CCC([NH2+]CC[NH2+]C2CC2)CC1 ZINC000643506945 387463723 /nfs/dbraw/zinc/46/37/23/387463723.db2.gz NLWRNFARAXIBSB-UHFFFAOYSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507510 387477149 /nfs/dbraw/zinc/47/71/49/387477149.db2.gz HADBKCAVTGFHKI-PWSUYJOCSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507509 387477557 /nfs/dbraw/zinc/47/75/57/387477557.db2.gz HADBKCAVTGFHKI-JQWIXIFHSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@H](CCCc1cccnc1)[NH2+]CC[NH2+]C1CC1 ZINC000643507643 387480045 /nfs/dbraw/zinc/48/00/45/387480045.db2.gz LMQSWNREPUFGEO-CYBMUJFWSA-N 2 1 247.386 2.134 20 0 BEADMP C(C[NH2+][C@H]1CCCC12CCC2)[NH2+]C1CC1 ZINC000643508013 387482835 /nfs/dbraw/zinc/48/28/35/387482835.db2.gz ZONTWVUVDLSEJB-LBPRGKRZSA-N 2 1 208.349 2.051 20 0 BEADMP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC[NH2+]C2CC2)C1 ZINC000643508065 387483472 /nfs/dbraw/zinc/48/34/72/387483472.db2.gz HSZLKGZOQBTDTP-NQBHXWOUSA-N 2 1 210.365 2.153 20 0 BEADMP COC[C@H](C)C[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000527115917 387483904 /nfs/dbraw/zinc/48/39/04/387483904.db2.gz GGFVBXYHQZHONI-HZSPNIEDSA-N 2 1 242.407 2.121 20 0 BEADMP COC[C@H](C)C[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000527115917 387483907 /nfs/dbraw/zinc/48/39/07/387483907.db2.gz GGFVBXYHQZHONI-HZSPNIEDSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@H]([NH2+]CCOC1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000400725158 387590394 /nfs/dbraw/zinc/59/03/94/387590394.db2.gz PEEICWPWVONAFS-GXTWGEPZSA-N 2 1 240.391 2.066 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)ccn1 ZINC000527539070 387609706 /nfs/dbraw/zinc/60/97/06/387609706.db2.gz KCHRNTFEGUZEMZ-OAHLLOKOSA-N 2 1 247.386 2.306 20 0 BEADMP Cc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)ccn1 ZINC000527539070 387609711 /nfs/dbraw/zinc/60/97/11/387609711.db2.gz KCHRNTFEGUZEMZ-OAHLLOKOSA-N 2 1 247.386 2.306 20 0 BEADMP CC(C)COCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000375689468 387567889 /nfs/dbraw/zinc/56/78/89/387567889.db2.gz DYUDWQPSIDATSA-AWEZNQCLSA-N 2 1 242.407 2.075 20 0 BEADMP CC(C)COCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000375689468 387567891 /nfs/dbraw/zinc/56/78/91/387567891.db2.gz DYUDWQPSIDATSA-AWEZNQCLSA-N 2 1 242.407 2.075 20 0 BEADMP CCc1ccc(CC[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000430610691 387633401 /nfs/dbraw/zinc/63/34/01/387633401.db2.gz LJIKLRCNLFBMFW-MRXNPFEDSA-N 2 1 246.398 2.462 20 0 BEADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H]2CCC=CO2)CC1 ZINC000376475691 387637940 /nfs/dbraw/zinc/63/79/40/387637940.db2.gz BPNLQFIYHSROMQ-KBPBESRZSA-N 2 1 238.375 2.095 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccnc(C)c1 ZINC000527642031 387650269 /nfs/dbraw/zinc/65/02/69/387650269.db2.gz RFKNLJHNCVHCJT-UHFFFAOYSA-N 2 1 244.342 2.075 20 0 BEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527686843 387657884 /nfs/dbraw/zinc/65/78/84/387657884.db2.gz XTGPEDRPGKZJEF-CQDKDKBSSA-N 2 1 234.387 2.273 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527656712 387661656 /nfs/dbraw/zinc/66/16/56/387661656.db2.gz JBDSYYVYTCHZHH-UXOAXIEHSA-N 2 1 236.403 2.352 20 0 BEADMP CCc1ccc(CC[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000430924476 387661876 /nfs/dbraw/zinc/66/18/76/387661876.db2.gz IHYWJEMLJLRUAW-OAHLLOKOSA-N 2 1 232.371 2.072 20 0 BEADMP CCc1ccc(CC[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000430953863 387663518 /nfs/dbraw/zinc/66/35/18/387663518.db2.gz DBSYYHOIQGLIPA-BBRMVZONSA-N 2 1 246.398 2.461 20 0 BEADMP CC[C@H]([NH2+]CCOC1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422772597 387669660 /nfs/dbraw/zinc/66/96/60/387669660.db2.gz XEFVYJOEJYCJBQ-KBPBESRZSA-N 2 1 240.391 2.066 20 0 BEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC000422776273 387672080 /nfs/dbraw/zinc/67/20/80/387672080.db2.gz CMRZXKPSRKDRHC-BDAKNGLRSA-N 2 1 228.286 2.180 20 0 BEADMP Cc1ccoc1CN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000126487195 387685174 /nfs/dbraw/zinc/68/51/74/387685174.db2.gz IJCGIPFSZWGPGO-NWDGAFQWSA-N 2 1 222.332 2.018 20 0 BEADMP Cc1ccoc1C[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000126487195 387685176 /nfs/dbraw/zinc/68/51/76/387685176.db2.gz IJCGIPFSZWGPGO-NWDGAFQWSA-N 2 1 222.332 2.018 20 0 BEADMP CCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422786383 387685476 /nfs/dbraw/zinc/68/54/76/387685476.db2.gz QIISXFFQIMKBPG-UONOGXRCSA-N 2 1 218.344 2.218 20 0 BEADMP CC[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(C)cc1 ZINC000643526254 387749708 /nfs/dbraw/zinc/74/97/08/387749708.db2.gz WLSUMWMMBZDOSE-WCQYABFASA-N 2 1 206.333 2.383 20 0 BEADMP Cc1cc([C@H](C)[NH2+]C[C@@H](C)[NH3+])c(C)s1 ZINC000643526331 387750316 /nfs/dbraw/zinc/75/03/16/387750316.db2.gz ZVVHNWZJWZURQO-APPZFPTMSA-N 2 1 212.362 2.363 20 0 BEADMP CCc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643525990 387754693 /nfs/dbraw/zinc/75/46/93/387754693.db2.gz LRCRJBDTVFXYFK-QWRGUYRKSA-N 2 1 206.333 2.247 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC1CCCC1 ZINC000422800326 387700308 /nfs/dbraw/zinc/70/03/08/387700308.db2.gz BGJBJGGAVZXAPC-DGCLKSJQSA-N 2 1 210.365 2.154 20 0 BEADMP CCC[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccccc1 ZINC000643525947 387754908 /nfs/dbraw/zinc/75/49/08/387754908.db2.gz JOOJPSAUSCEKTA-YPMHNXCESA-N 2 1 206.333 2.465 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)cn1 ZINC000643522559 387719326 /nfs/dbraw/zinc/71/93/26/387719326.db2.gz PJFSGWJUMSGJES-CMPLNLGQSA-N 2 1 237.322 2.013 20 0 BEADMP CC[N@H+](CC[NH2+][C@@H](C)[C@@H]1CCCOC1)C(C)C ZINC000356831677 387727557 /nfs/dbraw/zinc/72/75/57/387727557.db2.gz DZKCSRWWNOTSDP-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP CC[N@@H+](CC[NH2+][C@@H](C)[C@@H]1CCCOC1)C(C)C ZINC000356831677 387727559 /nfs/dbraw/zinc/72/75/59/387727559.db2.gz DZKCSRWWNOTSDP-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP CC[N@H+](CC[NH2+][C@H](C)[C@@H]1CCCOC1)C(C)C ZINC000356831678 387727740 /nfs/dbraw/zinc/72/77/40/387727740.db2.gz DZKCSRWWNOTSDP-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP CC[N@@H+](CC[NH2+][C@H](C)[C@@H]1CCCOC1)C(C)C ZINC000356831678 387727742 /nfs/dbraw/zinc/72/77/42/387727742.db2.gz DZKCSRWWNOTSDP-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCCS1)[C@@H]1CCCC[NH2+]1 ZINC000422876868 387755709 /nfs/dbraw/zinc/75/57/09/387755709.db2.gz QUWKHNBHAHUXKQ-UTUOFQBUSA-N 2 1 228.405 2.002 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@H]1CC12CC2 ZINC000527851690 387755736 /nfs/dbraw/zinc/75/57/36/387755736.db2.gz QYEGPILHHWKHIE-DGCLKSJQSA-N 2 1 233.359 2.360 20 0 BEADMP c1cn(CCC[N@H+]2CCC[C@@H](C3CC3)C2)cn1 ZINC000377589438 387731228 /nfs/dbraw/zinc/73/12/28/387731228.db2.gz GZBYFCVPFNWCOW-CQSZACIVSA-N 2 1 233.359 2.395 20 0 BEADMP CC(C)OCCC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000452098935 387736312 /nfs/dbraw/zinc/73/63/12/387736312.db2.gz VLIFVUXJELMYNA-UHFFFAOYSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000643524464 387737291 /nfs/dbraw/zinc/73/72/91/387737291.db2.gz LDJBZJZSNXUGQC-KWCYVHTRSA-N 2 1 245.370 2.047 20 0 BEADMP CC[C@H]([NH2+]C[C@H](C)[NH3+])c1cccc(C)c1 ZINC000643527166 387763822 /nfs/dbraw/zinc/76/38/22/387763822.db2.gz KGMVFEDZVIBKHU-AAEUAGOBSA-N 2 1 206.333 2.383 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000643528343 387767515 /nfs/dbraw/zinc/76/75/15/387767515.db2.gz HIIKFTHUNBIMKR-PELKAZGASA-N 2 1 224.735 2.264 20 0 BEADMP C[N@H+]1CC[C@]2(CC[NH+](CC3=CCCC3)C2)C1 ZINC000645922182 387767933 /nfs/dbraw/zinc/76/79/33/387767933.db2.gz HKIGDKAWUUUWOG-AWEZNQCLSA-N 2 1 220.360 2.124 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@H+](CC3=CCCC3)C2)C1 ZINC000645922182 387767936 /nfs/dbraw/zinc/76/79/36/387767936.db2.gz HKIGDKAWUUUWOG-AWEZNQCLSA-N 2 1 220.360 2.124 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@@H+](CC3=CCCC3)C2)C1 ZINC000645922182 387767939 /nfs/dbraw/zinc/76/79/39/387767939.db2.gz HKIGDKAWUUUWOG-AWEZNQCLSA-N 2 1 220.360 2.124 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000643528346 387768112 /nfs/dbraw/zinc/76/81/12/387768112.db2.gz HIIKFTHUNBIMKR-UFBFGSQYSA-N 2 1 224.735 2.264 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000643528198 387768222 /nfs/dbraw/zinc/76/82/22/387768222.db2.gz FJEDJRUHGITRNZ-TVQRCGJNSA-N 2 1 222.307 2.214 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000643528668 387769860 /nfs/dbraw/zinc/76/98/60/387769860.db2.gz MSIOADGWSNCKHX-UFBFGSQYSA-N 2 1 224.735 2.264 20 0 BEADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H](C)[NH3+])c1 ZINC000643528881 387771919 /nfs/dbraw/zinc/77/19/19/387771919.db2.gz QNVRBEYSLWEPBS-NEPJUHHUSA-N 2 1 206.333 2.301 20 0 BEADMP CC(C)C1(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422918552 387773922 /nfs/dbraw/zinc/77/39/22/387773922.db2.gz HNLQOBKZHJEKOU-NWDGAFQWSA-N 2 1 210.365 2.010 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@H]1CCCc2sccc21 ZINC000643529100 387774919 /nfs/dbraw/zinc/77/49/19/387774919.db2.gz VETNZUKNYQFSSN-WPRPVWTQSA-N 2 1 210.346 2.062 20 0 BEADMP CC[N@H+](C[C@@H](C)[NH3+])[C@H](C)c1cccc(OC)c1 ZINC000442653428 387812322 /nfs/dbraw/zinc/81/23/22/387812322.db2.gz VYFIFWSOBMQLLS-VXGBXAGGSA-N 2 1 236.359 2.425 20 0 BEADMP CCC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(OC)cc1 ZINC000643529287 387776591 /nfs/dbraw/zinc/77/65/91/387776591.db2.gz YCIVXQBEVLQPLD-BXUZGUMPSA-N 2 1 236.359 2.473 20 0 BEADMP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643529413 387777739 /nfs/dbraw/zinc/77/77/39/387777739.db2.gz ZLYUGGCPTWEZDH-RYUDHWBXSA-N 2 1 236.359 2.472 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[C@H]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422925042 387778423 /nfs/dbraw/zinc/77/84/23/387778423.db2.gz UYEFJSUMHCSKDX-DRPJVOAASA-N 2 1 244.382 2.348 20 0 BEADMP CC[N@@H+](C[C@@H](C)[NH3+])[C@H](C)c1cccc(OC)c1 ZINC000442653428 387812323 /nfs/dbraw/zinc/81/23/23/387812323.db2.gz VYFIFWSOBMQLLS-VXGBXAGGSA-N 2 1 236.359 2.425 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1CC=CC1 ZINC000527947003 387782745 /nfs/dbraw/zinc/78/27/45/387782745.db2.gz WEBOSCMHYLRRJE-DYEKYZERSA-N 2 1 222.376 2.271 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC2CC=CC2)[C@H](C)C1 ZINC000527947911 387783380 /nfs/dbraw/zinc/78/33/80/387783380.db2.gz YPBHELZWLULDJB-OCCSQVGLSA-N 2 1 222.376 2.273 20 0 BEADMP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422901583 387787384 /nfs/dbraw/zinc/78/73/84/387787384.db2.gz SFMUYLAIYQSEJN-HUUCEWRRSA-N 2 1 248.370 2.445 20 0 BEADMP CCCC(O)(CCC)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422980175 387790714 /nfs/dbraw/zinc/79/07/14/387790714.db2.gz OTHASFRLQUHXKM-OLZOCXBDSA-N 2 1 242.407 2.048 20 0 BEADMP CCCC(O)(CCC)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422980174 387791877 /nfs/dbraw/zinc/79/18/77/387791877.db2.gz OTHASFRLQUHXKM-CHWSQXEVSA-N 2 1 242.407 2.048 20 0 BEADMP CC(C)=CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152484099 387801962 /nfs/dbraw/zinc/80/19/62/387801962.db2.gz ZRSQSFWIABCRTH-CYBMUJFWSA-N 2 1 210.365 2.226 20 0 BEADMP CC(C)=CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152484099 387801968 /nfs/dbraw/zinc/80/19/68/387801968.db2.gz ZRSQSFWIABCRTH-CYBMUJFWSA-N 2 1 210.365 2.226 20 0 BEADMP CC(C)=CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152484099 387801974 /nfs/dbraw/zinc/80/19/74/387801974.db2.gz ZRSQSFWIABCRTH-CYBMUJFWSA-N 2 1 210.365 2.226 20 0 BEADMP C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)[C@H]1CCC[NH2+]1 ZINC000422994600 387801953 /nfs/dbraw/zinc/80/19/53/387801953.db2.gz VWEOONVUFKEQAU-GARJFASQSA-N 2 1 232.318 2.294 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)[C@H]1CCC[NH2+]1 ZINC000422994602 387803357 /nfs/dbraw/zinc/80/33/57/387803357.db2.gz VWEOONVUFKEQAU-HBNTYKKESA-N 2 1 232.318 2.294 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000422999184 387805369 /nfs/dbraw/zinc/80/53/69/387805369.db2.gz DVIJNVRXOBAZAG-YPMHNXCESA-N 2 1 222.376 2.154 20 0 BEADMP C[C@@H]([NH2+]CCCc1ccccn1)[C@H]1CCCC[NH2+]1 ZINC000423000957 387805929 /nfs/dbraw/zinc/80/59/29/387805929.db2.gz WJOQEWUNPAWVCY-UKRRQHHQSA-N 2 1 247.386 2.134 20 0 BEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCC1 ZINC000422954232 387809662 /nfs/dbraw/zinc/80/96/62/387809662.db2.gz HKQXHESKKIICEW-BXUZGUMPSA-N 2 1 218.344 2.087 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(C)CCCC1 ZINC000422959976 387810979 /nfs/dbraw/zinc/81/09/79/387810979.db2.gz UWQYRMSXGVTIFU-NEPJUHHUSA-N 2 1 210.365 2.154 20 0 BEADMP C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)C1C[NH2+]C1 ZINC000422880882 387758333 /nfs/dbraw/zinc/75/83/33/387758333.db2.gz PFHCFWOSKIKTDQ-QMMMGPOBSA-N 2 1 242.725 2.177 20 0 BEADMP C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)C1C[NH2+]C1 ZINC000422880881 387758392 /nfs/dbraw/zinc/75/83/92/387758392.db2.gz PFHCFWOSKIKTDQ-MRVPVSSYSA-N 2 1 242.725 2.177 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CC23CC3)C1 ZINC000527855962 387758649 /nfs/dbraw/zinc/75/86/49/387758649.db2.gz XKJUXRAHAQPYRP-MJBXVCDLSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000643526901 387761371 /nfs/dbraw/zinc/76/13/71/387761371.db2.gz BFRABKHSKSZLDM-PKFCDNJMSA-N 2 1 236.334 2.386 20 0 BEADMP Cc1ccsc1CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423013404 387836345 /nfs/dbraw/zinc/83/63/45/387836345.db2.gz FVHZNSRSQRKIJM-NWDGAFQWSA-N 2 1 238.400 2.329 20 0 BEADMP C[C@H](CCNc1[nH+]ccc2ccccc21)[NH+](C)C ZINC000528053732 387838709 /nfs/dbraw/zinc/83/87/09/387838709.db2.gz MTQVEGJQDJSCNE-GFCCVEGCSA-N 2 1 243.354 2.409 20 0 BEADMP C[C@@H]([NH2+]C1(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423049680 387858536 /nfs/dbraw/zinc/85/85/36/387858536.db2.gz KFIMTNOUTZJWND-HIFRSBDPSA-N 2 1 244.382 2.492 20 0 BEADMP CSCCCCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423049090 387858656 /nfs/dbraw/zinc/85/86/56/387858656.db2.gz IVVXBFMYAZZTCX-NWDGAFQWSA-N 2 1 230.421 2.107 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H](C)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423051441 387859793 /nfs/dbraw/zinc/85/97/93/387859793.db2.gz NHEULHTXNSHEBC-BBBLOLIVSA-N 2 1 238.297 2.305 20 0 BEADMP CCC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000157784027 387874604 /nfs/dbraw/zinc/87/46/04/387874604.db2.gz ZAJNUGLUQJHGEL-XQQFMLRXSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423106367 387891459 /nfs/dbraw/zinc/89/14/59/387891459.db2.gz RKURBELBHZPQBD-YVECIDJPSA-N 2 1 210.365 2.010 20 0 BEADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194543060 387893225 /nfs/dbraw/zinc/89/32/25/387893225.db2.gz ADKJSMTXAOIOAS-CAOSSQGBSA-N 2 1 248.414 2.472 20 0 BEADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194543060 387893228 /nfs/dbraw/zinc/89/32/28/387893228.db2.gz ADKJSMTXAOIOAS-CAOSSQGBSA-N 2 1 248.414 2.472 20 0 BEADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000194543060 387893233 /nfs/dbraw/zinc/89/32/33/387893233.db2.gz ADKJSMTXAOIOAS-CAOSSQGBSA-N 2 1 248.414 2.472 20 0 BEADMP C[C@@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)c1ccncc1 ZINC000643460403 387875710 /nfs/dbraw/zinc/87/57/10/387875710.db2.gz ZYXDZLHLFCCFAZ-GUTXKFCHSA-N 2 1 247.386 2.305 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000423101962 387889340 /nfs/dbraw/zinc/88/93/40/387889340.db2.gz WROPMGPYDGAQOJ-VWYCJHECSA-N 2 1 232.318 2.009 20 0 BEADMP CC[N@H+]1CCC[C@@H](CNCc2ccc(C)o2)C1 ZINC000236861811 387909242 /nfs/dbraw/zinc/90/92/42/387909242.db2.gz YYEBBXJGFFEWBS-ZDUSSCGKSA-N 2 1 236.359 2.410 20 0 BEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C)o2)C1 ZINC000236861811 387909249 /nfs/dbraw/zinc/90/92/49/387909249.db2.gz YYEBBXJGFFEWBS-ZDUSSCGKSA-N 2 1 236.359 2.410 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C)o2)C1 ZINC000236861811 387909254 /nfs/dbraw/zinc/90/92/54/387909254.db2.gz YYEBBXJGFFEWBS-ZDUSSCGKSA-N 2 1 236.359 2.410 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCCC1(C)C ZINC000423137242 387914257 /nfs/dbraw/zinc/91/42/57/387914257.db2.gz QJJNECLRYLEGOM-AGIUHOORSA-N 2 1 224.392 2.400 20 0 BEADMP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423157447 387936230 /nfs/dbraw/zinc/93/62/30/387936230.db2.gz BDABJYVZVUMSHB-RFQIPJPRSA-N 2 1 224.392 2.399 20 0 BEADMP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423157550 387936807 /nfs/dbraw/zinc/93/68/07/387936807.db2.gz BDABJYVZVUMSHB-ZOBORPQBSA-N 2 1 224.392 2.399 20 0 BEADMP CC[C@@H]([NH2+]C1CC(C)(F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423144901 387921400 /nfs/dbraw/zinc/92/14/00/387921400.db2.gz IGECKRFHQYLHCX-QBHFIFKDSA-N 2 1 228.355 2.387 20 0 BEADMP C[C@@H]([NH2+]CC(C)(C)c1ccccn1)[C@@H]1CCC[NH2+]1 ZINC000423149810 387927259 /nfs/dbraw/zinc/92/72/59/387927259.db2.gz XWLOODVMQOBQLT-OLZOCXBDSA-N 2 1 247.386 2.089 20 0 BEADMP C[C@@H]([NH2+]Cc1cnccc1C(C)(C)C)C1C[NH2+]C1 ZINC000423167375 387952899 /nfs/dbraw/zinc/95/28/99/387952899.db2.gz DYUOXWDYOLKMTB-LLVKDONJSA-N 2 1 247.386 2.077 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1C[C@H]1C ZINC000321159186 387954453 /nfs/dbraw/zinc/95/44/53/387954453.db2.gz XBTPULVAWUTXJN-BJJPWKGXSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044535197 387938270 /nfs/dbraw/zinc/93/82/70/387938270.db2.gz ONXDOIKKFHVVQH-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044534266 387938441 /nfs/dbraw/zinc/93/84/41/387938441.db2.gz VTVODVMDYDBBOP-AVGNSLFASA-N 2 1 212.381 2.352 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000044534434 387938525 /nfs/dbraw/zinc/93/85/25/387938525.db2.gz VNFMKHHNONJAKW-NSHDSACASA-N 2 1 222.376 2.106 20 0 BEADMP C[C@H](CC[NH+](C)C)Nc1[nH+]c2ccccc2n1C ZINC000079046127 387938880 /nfs/dbraw/zinc/93/88/80/387938880.db2.gz KHXWQHAVSIXDDM-LLVKDONJSA-N 2 1 246.358 2.325 20 0 BEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)c2c[nH+]ccc2N)C1 ZINC000423158849 387939120 /nfs/dbraw/zinc/93/91/20/387939120.db2.gz DPMDUDUZGHIITB-UTUOFQBUSA-N 2 1 249.358 2.101 20 0 BEADMP CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423161879 387943628 /nfs/dbraw/zinc/94/36/28/387943628.db2.gz JWFXHAZBWPOBPU-REWJHTLYSA-N 2 1 240.391 2.064 20 0 BEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H]1C ZINC000321069973 387943804 /nfs/dbraw/zinc/94/38/04/387943804.db2.gz KGEXTQKKCVOCPQ-UHIISALHSA-N 2 1 222.376 2.247 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423172602 387959607 /nfs/dbraw/zinc/95/96/07/387959607.db2.gz UIDACVXTIHHOPG-LOWDOPEQSA-N 2 1 210.365 2.009 20 0 BEADMP CSC[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000245574847 387961933 /nfs/dbraw/zinc/96/19/33/387961933.db2.gz ARGGKVNYOWZTOQ-STQMWFEESA-N 2 1 242.432 2.298 20 0 BEADMP CSC[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000245574847 387961936 /nfs/dbraw/zinc/96/19/36/387961936.db2.gz ARGGKVNYOWZTOQ-STQMWFEESA-N 2 1 242.432 2.298 20 0 BEADMP CSC[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000245574847 387961939 /nfs/dbraw/zinc/96/19/39/387961939.db2.gz ARGGKVNYOWZTOQ-STQMWFEESA-N 2 1 242.432 2.298 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424321181 387969989 /nfs/dbraw/zinc/96/99/89/387969989.db2.gz GYAODFBZGZXMSR-NKQKNBIVSA-N 2 1 236.403 2.493 20 0 BEADMP C[C@@H]([NH2+]CCC[NH3+])c1nc2c(s1)CCCC2 ZINC000423186055 387971300 /nfs/dbraw/zinc/97/13/00/387971300.db2.gz JWLUSIYVNBWTEX-SECBINFHSA-N 2 1 239.388 2.021 20 0 BEADMP CC(C)[C@@H](CSc1ccccc1)[NH2+]CC[NH3+] ZINC000423186483 387971524 /nfs/dbraw/zinc/97/15/24/387971524.db2.gz OKGAGBXRBQCANM-CYBMUJFWSA-N 2 1 238.400 2.352 20 0 BEADMP C[NH2+]CCC[NH2+][C@H](C)c1nccc2ccccc21 ZINC000423201845 387988260 /nfs/dbraw/zinc/98/82/60/387988260.db2.gz PXFLTDHKHFBUBT-GFCCVEGCSA-N 2 1 243.354 2.495 20 0 BEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424368683 387991502 /nfs/dbraw/zinc/99/15/02/387991502.db2.gz ADVVETXCWOLNAN-CDGCEXEKSA-N 2 1 236.334 2.339 20 0 BEADMP CCSCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246732716 135083126 /nfs/dbraw/zinc/08/31/26/135083126.db2.gz MGNJOUBBMRPZRK-RYUDHWBXSA-N 2 1 230.421 2.154 20 0 BEADMP CCSCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246732716 135083128 /nfs/dbraw/zinc/08/31/28/135083128.db2.gz MGNJOUBBMRPZRK-RYUDHWBXSA-N 2 1 230.421 2.154 20 0 BEADMP CCSCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246732716 135083130 /nfs/dbraw/zinc/08/31/30/135083130.db2.gz MGNJOUBBMRPZRK-RYUDHWBXSA-N 2 1 230.421 2.154 20 0 BEADMP CCSCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246732716 135083131 /nfs/dbraw/zinc/08/31/31/135083131.db2.gz MGNJOUBBMRPZRK-RYUDHWBXSA-N 2 1 230.421 2.154 20 0 BEADMP C[C@H](CCC[NH3+])[NH2+]c1ccc2c(c1)CCN2 ZINC000423212926 387995091 /nfs/dbraw/zinc/99/50/91/387995091.db2.gz JFJFGLFBDMDKFR-SNVBAGLBSA-N 2 1 219.332 2.194 20 0 BEADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccncc1 ZINC000453094592 387981899 /nfs/dbraw/zinc/98/18/99/387981899.db2.gz VCMMEWCTOWPDFA-CQSZACIVSA-N 2 1 244.342 2.327 20 0 BEADMP C[NH2+]CCC[NH2+][C@@H](C)c1cc(C)oc1C ZINC000423198370 387984149 /nfs/dbraw/zinc/98/41/49/387984149.db2.gz FNQFZHLRAOYJEI-JTQLQIEISA-N 2 1 210.321 2.157 20 0 BEADMP Cc1ccc(CC[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000420408085 387998763 /nfs/dbraw/zinc/99/87/63/387998763.db2.gz OWXZEAQXPHNQEF-GDBMZVCRSA-N 2 1 246.398 2.454 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CC(C)C)C1 ZINC000252439443 135089049 /nfs/dbraw/zinc/08/90/49/135089049.db2.gz ORTXDMHKCCWORW-OLZOCXBDSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC[NH2+]C1 ZINC000423217665 388000258 /nfs/dbraw/zinc/00/02/58/388000258.db2.gz SKLHQEVHLVDDSK-DGCLKSJQSA-N 2 1 244.338 2.315 20 0 BEADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CC[NH2+]C1 ZINC000423217667 388000553 /nfs/dbraw/zinc/00/05/53/388000553.db2.gz SKLHQEVHLVDDSK-YPMHNXCESA-N 2 1 244.338 2.315 20 0 BEADMP CC[N@@H+]1C[C@H](Nc2ccc3c(c2)CCN3)[C@@H](C)C1 ZINC000423222102 388001675 /nfs/dbraw/zinc/00/16/75/388001675.db2.gz ZRVRZFMNICRMQJ-NHYWBVRUSA-N 2 1 245.370 2.407 20 0 BEADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccncc1 ZINC000453182894 388004647 /nfs/dbraw/zinc/00/46/47/388004647.db2.gz SRHPFTUUMXCDGC-OAHLLOKOSA-N 2 1 245.370 2.384 20 0 BEADMP C[NH2+]CC[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000423225555 388007811 /nfs/dbraw/zinc/00/78/11/388007811.db2.gz NFXZJCRIOJVHJW-GFCCVEGCSA-N 2 1 220.360 2.162 20 0 BEADMP C[NH2+]CC[NH2+][C@@H](CCc1ccccc1)C(C)C ZINC000423225601 388008257 /nfs/dbraw/zinc/00/82/57/388008257.db2.gz NLLHSDAIAMLMJQ-HNNXBMFYSA-N 2 1 234.387 2.453 20 0 BEADMP CC(C)[C@H]1CCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000530460311 322813570 /nfs/dbraw/zinc/81/35/70/322813570.db2.gz JXITUXYYOGSRTJ-ZIAGYGMSSA-N 2 1 235.375 2.377 20 0 BEADMP C[C@@H](c1ccccn1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246098712 388009143 /nfs/dbraw/zinc/00/91/43/388009143.db2.gz ARZZKJPCPVJVLW-KBPBESRZSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@@H](c1ccccn1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246098712 388009146 /nfs/dbraw/zinc/00/91/46/388009146.db2.gz ARZZKJPCPVJVLW-KBPBESRZSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@@H](c1ccccn1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246098712 388009148 /nfs/dbraw/zinc/00/91/48/388009148.db2.gz ARZZKJPCPVJVLW-KBPBESRZSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@@H](c1ccccn1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246098712 388009152 /nfs/dbraw/zinc/00/91/52/388009152.db2.gz ARZZKJPCPVJVLW-KBPBESRZSA-N 2 1 247.386 2.416 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C2CC(C)(F)C2)[C@H]2CCC[C@H]21 ZINC000453244800 388023799 /nfs/dbraw/zinc/02/37/99/388023799.db2.gz ZFZJWGIQBMLSQY-ANNIKCPVSA-N 2 1 240.366 2.339 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCC(C)(F)F)[C@@H]2CCC[C@@H]21 ZINC000453219446 388013194 /nfs/dbraw/zinc/01/31/94/388013194.db2.gz LNNBNTAGJSCUEB-SRVKXCTJSA-N 2 1 246.345 2.494 20 0 BEADMP CC[NH2+]CC[NH2+]C1CCC(C(F)F)CC1 ZINC000423230434 388015355 /nfs/dbraw/zinc/01/53/55/388015355.db2.gz DMUIYWIYGOEBEJ-UHFFFAOYSA-N 2 1 220.307 2.009 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1C[C@H](C)CC[C@H]1CC ZINC000423234886 388018908 /nfs/dbraw/zinc/01/89/08/388018908.db2.gz MMEHYDNGAZFZOG-JHJVBQTASA-N 2 1 212.381 2.400 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000423238610 388022644 /nfs/dbraw/zinc/02/26/44/388022644.db2.gz RGHPTWCBIGVINQ-QEJZJMRPSA-N 2 1 232.371 2.378 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C2CC(C)(F)C2)[C@H]2CCC[C@@H]21 ZINC000453244809 388023385 /nfs/dbraw/zinc/02/33/85/388023385.db2.gz ZFZJWGIQBMLSQY-FRAWFVRRSA-N 2 1 240.366 2.339 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1C[C@H](OCC(C)C)C1(C)C ZINC000423253927 388034930 /nfs/dbraw/zinc/03/49/30/388034930.db2.gz ZYRVRXJYVGDZNN-OLZOCXBDSA-N 2 1 242.407 2.025 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000156813756 388036461 /nfs/dbraw/zinc/03/64/61/388036461.db2.gz HIDVTPGQTCKKPR-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000156813756 388036463 /nfs/dbraw/zinc/03/64/63/388036463.db2.gz HIDVTPGQTCKKPR-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP CCc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH2+]C)o1 ZINC000423256633 388036802 /nfs/dbraw/zinc/03/68/02/388036802.db2.gz CHOLKUGDUXGIMG-GHMZBOCLSA-N 2 1 224.348 2.348 20 0 BEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccncc1 ZINC000423258091 388039160 /nfs/dbraw/zinc/03/91/60/388039160.db2.gz AYYCCUNVHMIVAT-AAEUAGOBSA-N 2 1 221.348 2.106 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000453303015 388039633 /nfs/dbraw/zinc/03/96/33/388039633.db2.gz BAXWELFZJNIBHZ-FQKPHLNHSA-N 2 1 236.403 2.495 20 0 BEADMP CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)[C@@H]1C[C@H]1C ZINC000423261567 388040173 /nfs/dbraw/zinc/04/01/73/388040173.db2.gz KEMWEEIDUDEOSS-XQHKEYJVSA-N 2 1 212.381 2.384 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)Cc1ccoc1 ZINC000423264315 388042716 /nfs/dbraw/zinc/04/27/16/388042716.db2.gz PVWPOIKFBPPPGZ-WCQYABFASA-N 2 1 224.348 2.174 20 0 BEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccsc1 ZINC000423265935 388043854 /nfs/dbraw/zinc/04/38/54/388043854.db2.gz BKZIKAOOYIPSIM-GZMMTYOYSA-N 2 1 210.346 2.136 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000423265608 388044169 /nfs/dbraw/zinc/04/41/69/388044169.db2.gz CJWNUNQMSOXOCA-MWLCHTKSSA-N 2 1 224.348 2.403 20 0 BEADMP CC[C@@H](C)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000421390853 388029171 /nfs/dbraw/zinc/02/91/71/388029171.db2.gz VJVRGHXAOUKSJV-SNVBAGLBSA-N 2 1 241.404 2.340 20 0 BEADMP CC[NH2+]CC[NH2+][C@H]1C[C@H](OCC)C1(CC)CC ZINC000423246213 388029846 /nfs/dbraw/zinc/02/98/46/388029846.db2.gz MZVQWZONABTOAW-STQMWFEESA-N 2 1 242.407 2.169 20 0 BEADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccsc1 ZINC000423265936 388044282 /nfs/dbraw/zinc/04/42/82/388044282.db2.gz BKZIKAOOYIPSIM-KCJUWKMLSA-N 2 1 210.346 2.136 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCc2occc21 ZINC000423275833 388057547 /nfs/dbraw/zinc/05/75/47/388057547.db2.gz NRGZKKXFTWWWEB-PWSUYJOCSA-N 2 1 222.332 2.102 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000423277564 388058031 /nfs/dbraw/zinc/05/80/31/388058031.db2.gz PYSFDWXUFUTMSI-VHSXEESVSA-N 2 1 242.313 2.471 20 0 BEADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)CC2 ZINC000423277783 388059112 /nfs/dbraw/zinc/05/91/12/388059112.db2.gz OQNBEJHZZBPSSB-GJZGRUSLSA-N 2 1 230.355 2.309 20 0 BEADMP CCOc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423278683 388060007 /nfs/dbraw/zinc/06/00/07/388060007.db2.gz QDIREWNGNUWXIW-IAQYHMDHSA-N 2 1 248.370 2.473 20 0 BEADMP COc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c(C)c1 ZINC000423279627 388062723 /nfs/dbraw/zinc/06/27/23/388062723.db2.gz RTGSSDJYXSSTRW-ABAIWWIYSA-N 2 1 248.370 2.392 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cc(C)oc1C ZINC000423281409 388063473 /nfs/dbraw/zinc/06/34/73/388063473.db2.gz VKVZVKQNHPDSSP-GXSJLCMTSA-N 2 1 224.348 2.403 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000423282351 388065459 /nfs/dbraw/zinc/06/54/59/388065459.db2.gz WLEFDCIFSUCXTG-ZJUUUORDSA-N 2 1 241.766 2.241 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)[C@@H]2CCC[C@@H]21 ZINC000453382900 388066186 /nfs/dbraw/zinc/06/61/86/388066186.db2.gz LXBFBWLBWXKZJU-QXKUPLGCSA-N 2 1 248.414 2.495 20 0 BEADMP Cc1ccncc1[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423284477 388067244 /nfs/dbraw/zinc/06/72/44/388067244.db2.gz YBKVWTFQOWNXBZ-AAEUAGOBSA-N 2 1 221.348 2.024 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000423285584 388068975 /nfs/dbraw/zinc/06/89/75/388068975.db2.gz ZJMNBFFGRLGWAZ-GXTWGEPZSA-N 2 1 249.402 2.387 20 0 BEADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccs1 ZINC000423284850 388069287 /nfs/dbraw/zinc/06/92/87/388069287.db2.gz XGSWIJKTUAGRAO-PSASIEDQSA-N 2 1 210.346 2.136 20 0 BEADMP [NH3+]C[C@@H]([NH2+][C@H]1CCCc2ccc(O)cc21)C1CC1 ZINC000423286158 388070263 /nfs/dbraw/zinc/07/02/63/388070263.db2.gz ZSTNBKFAUCLQCX-LSDHHAIUSA-N 2 1 246.354 2.097 20 0 BEADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc2c(c1)COC2 ZINC000423287196 388071332 /nfs/dbraw/zinc/07/13/32/388071332.db2.gz KULXKVSBXRVGDN-JTQLQIEISA-N 2 1 234.343 2.105 20 0 BEADMP COc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])c(C)c1 ZINC000423286646 388071960 /nfs/dbraw/zinc/07/19/60/388071960.db2.gz HXZFOMDOEYHLFU-LLVKDONJSA-N 2 1 236.359 2.392 20 0 BEADMP CC(C)([NH3+])C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000423287998 388073362 /nfs/dbraw/zinc/07/33/62/388073362.db2.gz PVRANINGYYJEOP-ZDUSSCGKSA-N 2 1 233.359 2.250 20 0 BEADMP CCc1nc(C)c([C@@H](C)[NH2+]CC(C)(C)[NH3+])s1 ZINC000423288687 388073480 /nfs/dbraw/zinc/07/34/80/388073480.db2.gz UJUORGXLNYRZQW-MRVPVSSYSA-N 2 1 241.404 2.402 20 0 BEADMP COc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)[NH3+])CC2 ZINC000423289777 388073944 /nfs/dbraw/zinc/07/39/44/388073944.db2.gz YETIBEKIVJLRGN-ZDUSSCGKSA-N 2 1 234.343 2.009 20 0 BEADMP Cc1csc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000084216339 388075209 /nfs/dbraw/zinc/07/52/09/388075209.db2.gz DNFDYVPQPVOJPZ-MNOVXSKESA-N 2 1 239.388 2.059 20 0 BEADMP COc1c(C)cc(C[NH+]2CCC([NH3+])CC2)cc1C ZINC000084574605 388080508 /nfs/dbraw/zinc/08/05/08/388080508.db2.gz MKXDXJLEIXOVOD-UHFFFAOYSA-N 2 1 248.370 2.235 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCC2CC(F)(F)C2)CC[N@H+]1C ZINC000453426114 388081080 /nfs/dbraw/zinc/08/10/80/388081080.db2.gz ONXPCSTXDPIJTF-ZYHUDNBSSA-N 2 1 246.345 2.494 20 0 BEADMP Cc1ccc(F)c(C[N@@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000084946761 388082341 /nfs/dbraw/zinc/08/23/41/388082341.db2.gz CZBRHQUICUGDSG-GFCCVEGCSA-N 2 1 236.334 2.305 20 0 BEADMP Cc1ccc(F)c(C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000084946761 388082343 /nfs/dbraw/zinc/08/23/43/388082343.db2.gz CZBRHQUICUGDSG-GFCCVEGCSA-N 2 1 236.334 2.305 20 0 BEADMP CSC1(C[NH2+]CC2=CC[N@@H+](C)CC2)CCC1 ZINC000336659805 388087725 /nfs/dbraw/zinc/08/77/25/388087725.db2.gz CHOVSXZXENSAQK-UHFFFAOYSA-N 2 1 240.416 2.124 20 0 BEADMP C[C@H]1CSC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453593596 388088982 /nfs/dbraw/zinc/08/89/82/388088982.db2.gz GWQAGDSOTHXION-WCQYABFASA-N 2 1 242.432 2.202 20 0 BEADMP CC(C)[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000324266136 388115949 /nfs/dbraw/zinc/11/59/49/388115949.db2.gz MPIYNNKVIKPTTH-STQMWFEESA-N 2 1 210.365 2.153 20 0 BEADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000083055512 388044767 /nfs/dbraw/zinc/04/47/67/388044767.db2.gz GNWFSRFGQZOYQH-RISCZKNCSA-N 2 1 222.376 2.249 20 0 BEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000533294811 388045527 /nfs/dbraw/zinc/04/55/27/388045527.db2.gz GAYFOJISCDWUGJ-MCIONIFRSA-N 2 1 236.403 2.449 20 0 BEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000533294811 388045531 /nfs/dbraw/zinc/04/55/31/388045531.db2.gz GAYFOJISCDWUGJ-MCIONIFRSA-N 2 1 236.403 2.449 20 0 BEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000533294811 388045535 /nfs/dbraw/zinc/04/55/35/388045535.db2.gz GAYFOJISCDWUGJ-MCIONIFRSA-N 2 1 236.403 2.449 20 0 BEADMP COc1cccc2c1CC[C@@H]2[NH2+][C@H](C[NH3+])C1CC1 ZINC000423266691 388045793 /nfs/dbraw/zinc/04/57/93/388045793.db2.gz BYCCHSYQVPFQHG-UONOGXRCSA-N 2 1 246.354 2.009 20 0 BEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000533294816 388046284 /nfs/dbraw/zinc/04/62/84/388046284.db2.gz GAYFOJISCDWUGJ-MELADBBJSA-N 2 1 236.403 2.449 20 0 BEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000533294816 388046290 /nfs/dbraw/zinc/04/62/90/388046290.db2.gz GAYFOJISCDWUGJ-MELADBBJSA-N 2 1 236.403 2.449 20 0 BEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000533294816 388046291 /nfs/dbraw/zinc/04/62/91/388046291.db2.gz GAYFOJISCDWUGJ-MELADBBJSA-N 2 1 236.403 2.449 20 0 BEADMP Cc1cncc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c1 ZINC000423268114 388046997 /nfs/dbraw/zinc/04/69/97/388046997.db2.gz FZKZQIHOSHXYAN-AAEUAGOBSA-N 2 1 221.348 2.024 20 0 BEADMP Cc1cccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000423268508 388047225 /nfs/dbraw/zinc/04/72/25/388047225.db2.gz DWPMCYKNCBRCCZ-BXUZGUMPSA-N 2 1 218.344 2.383 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1sccc1OC ZINC000423270354 388048973 /nfs/dbraw/zinc/04/89/73/388048973.db2.gz HVWDILRPXWPTFF-NXEZZACHSA-N 2 1 242.388 2.263 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000449333015 388174226 /nfs/dbraw/zinc/17/42/26/388174226.db2.gz FSUPILAANZHNRM-SDDRHHMPSA-N 2 1 230.421 2.056 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000449333015 388174227 /nfs/dbraw/zinc/17/42/27/388174227.db2.gz FSUPILAANZHNRM-SDDRHHMPSA-N 2 1 230.421 2.056 20 0 BEADMP CC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)C1CCC1 ZINC000324955901 388129271 /nfs/dbraw/zinc/12/92/71/388129271.db2.gz VPQZJAXLFHSABM-OLZOCXBDSA-N 2 1 210.365 2.297 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C1CCC1 ZINC000324955902 388129439 /nfs/dbraw/zinc/12/94/39/388129439.db2.gz VPQZJAXLFHSABM-QWHCGFSZSA-N 2 1 210.365 2.297 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CC1(C)C ZINC000489458811 388215806 /nfs/dbraw/zinc/21/58/06/388215806.db2.gz SGEOVDFKSLUVSA-LBPRGKRZSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CC1(C)C ZINC000489458811 388215807 /nfs/dbraw/zinc/21/58/07/388215807.db2.gz SGEOVDFKSLUVSA-LBPRGKRZSA-N 2 1 221.348 2.312 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000449485824 388216400 /nfs/dbraw/zinc/21/64/00/388216400.db2.gz ROIROUFOMRXRIZ-RFQIPJPRSA-N 2 1 224.392 2.352 20 0 BEADMP CC(C)OC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560640 388232183 /nfs/dbraw/zinc/23/21/83/388232183.db2.gz NXZJSZOCIQFJRE-FUDCBSFHSA-N 2 1 240.391 2.015 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000451578833 388282701 /nfs/dbraw/zinc/28/27/01/388282701.db2.gz XUPVKUBOFRIWIN-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP CCOc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000233793720 388349119 /nfs/dbraw/zinc/34/91/19/388349119.db2.gz RNVVFMZGUKICAD-MNOVXSKESA-N 2 1 222.332 2.083 20 0 BEADMP CC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccc(OC)cc1 ZINC000234044223 388352685 /nfs/dbraw/zinc/35/26/85/388352685.db2.gz WLJSXSVOYRHCFJ-GWCFXTLKSA-N 2 1 222.332 2.083 20 0 BEADMP Cc1cc([C@H](C)[NH2+][C@@H](C)CN)c(C)s1 ZINC000235144775 388365121 /nfs/dbraw/zinc/36/51/21/388365121.db2.gz AMFHFSQVMANWTN-CBAPKCEASA-N 2 1 212.362 2.363 20 0 BEADMP Cc1cc([C@H](C)[NH2+][C@@H](C)C[NH3+])c(C)s1 ZINC000235144775 388365124 /nfs/dbraw/zinc/36/51/24/388365124.db2.gz AMFHFSQVMANWTN-CBAPKCEASA-N 2 1 212.362 2.363 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000572887576 388384759 /nfs/dbraw/zinc/38/47/59/388384759.db2.gz USSUOHFJZKCOKO-YUELXQCFSA-N 2 1 236.403 2.495 20 0 BEADMP CCOCCCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000165101534 388390908 /nfs/dbraw/zinc/39/09/08/388390908.db2.gz FTTJJHLURWJWDW-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000322753804 388445884 /nfs/dbraw/zinc/44/58/84/388445884.db2.gz XTLGHHWVQRCXPI-GSPSYOTPSA-N 2 1 222.376 2.390 20 0 BEADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000322753806 388446511 /nfs/dbraw/zinc/44/65/11/388446511.db2.gz XTLGHHWVQRCXPI-WTUNAVPPSA-N 2 1 222.376 2.390 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@@H]1C ZINC000336686115 388462451 /nfs/dbraw/zinc/46/24/51/388462451.db2.gz UMULYPJBJVEETI-POQQGIQPSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@@H]1C ZINC000336686115 388462453 /nfs/dbraw/zinc/46/24/53/388462453.db2.gz UMULYPJBJVEETI-POQQGIQPSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H]([NH2+]CCF)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000336731412 388471088 /nfs/dbraw/zinc/47/10/88/388471088.db2.gz FHXVKXBPYJPLGX-RYUDHWBXSA-N 2 1 228.355 2.199 20 0 BEADMP C[C@H]([NH2+]CCF)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000336731412 388471090 /nfs/dbraw/zinc/47/10/90/388471090.db2.gz FHXVKXBPYJPLGX-RYUDHWBXSA-N 2 1 228.355 2.199 20 0 BEADMP CC(C)C[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000307824519 388427311 /nfs/dbraw/zinc/42/73/11/388427311.db2.gz XIOYNJJQUXQFRW-ZIAGYGMSSA-N 2 1 224.392 2.354 20 0 BEADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)C1CCC1 ZINC000322351760 388432075 /nfs/dbraw/zinc/43/20/75/388432075.db2.gz DQGOJCPZZDLUFR-CYBMUJFWSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H](F)CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000339491162 388484089 /nfs/dbraw/zinc/48/40/89/388484089.db2.gz MILPWHYNRWAYJP-SECBINFHSA-N 2 1 245.367 2.042 20 0 BEADMP C[C@H](F)CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000339491164 388484193 /nfs/dbraw/zinc/48/41/93/388484193.db2.gz MILPWHYNRWAYJP-VIFPVBQESA-N 2 1 245.367 2.042 20 0 BEADMP [NH3+][C@@H]1C[C@H]([NH2+]CCC2(O)CCC2)c2ccccc21 ZINC000397760392 388497059 /nfs/dbraw/zinc/49/70/59/388497059.db2.gz VHRWQHTTWXTASL-KGLIPLIRSA-N 2 1 246.354 2.026 20 0 BEADMP CC[C@@H](C)[NH+](C)CCOCC[N@H+](C)[C@@H](C)CC ZINC000178628884 388503157 /nfs/dbraw/zinc/50/31/57/388503157.db2.gz VRNHFRHCOCSYRN-OKILXGFUSA-N 2 1 244.423 2.464 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CCOCC[NH+](C)[C@@H](C)CC ZINC000178628884 388503159 /nfs/dbraw/zinc/50/31/59/388503159.db2.gz VRNHFRHCOCSYRN-OKILXGFUSA-N 2 1 244.423 2.464 20 0 BEADMP CC[C@@H](C)[N@H+](C)CCOCC[NH+](C)[C@@H](C)CC ZINC000178628884 388503161 /nfs/dbraw/zinc/50/31/61/388503161.db2.gz VRNHFRHCOCSYRN-OKILXGFUSA-N 2 1 244.423 2.464 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000528379305 388518540 /nfs/dbraw/zinc/51/85/40/388518540.db2.gz GGDOTSWMQWPLMK-LBPRGKRZSA-N 2 1 224.392 2.306 20 0 BEADMP CC1(C)CC(C[N@H+]2CCn3cncc3C2)C1 ZINC000528507228 388536636 /nfs/dbraw/zinc/53/66/36/388536636.db2.gz JIYJLXIXMZUHPK-UHFFFAOYSA-N 2 1 219.332 2.135 20 0 BEADMP CC1(C)CC(CN2CCn3cncc3C2)C1 ZINC000528507228 388536638 /nfs/dbraw/zinc/53/66/38/388536638.db2.gz JIYJLXIXMZUHPK-UHFFFAOYSA-N 2 1 219.332 2.135 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](C)CC)C1 ZINC000245547005 388588238 /nfs/dbraw/zinc/58/82/38/388588238.db2.gz XAFHMGNHQRVWDG-CHWSQXEVSA-N 2 1 212.381 2.354 20 0 BEADMP CO[C@H](C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C)c1ccccc1 ZINC000379171133 388594461 /nfs/dbraw/zinc/59/44/61/388594461.db2.gz DIKNAXKSMCFXGE-AEGPPILISA-N 2 1 248.370 2.186 20 0 BEADMP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000222164212 388614015 /nfs/dbraw/zinc/61/40/15/388614015.db2.gz VNTJYJUWWWZKQF-RYMFRWLXSA-N 2 1 224.392 2.493 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631843891 388614103 /nfs/dbraw/zinc/61/41/03/388614103.db2.gz SYWXCOLVSSPUKJ-TZMCWYRMSA-N 2 1 218.344 2.022 20 0 BEADMP CS[C@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000521192235 388564392 /nfs/dbraw/zinc/56/43/92/388564392.db2.gz OCILFBUQBHIHSM-STQMWFEESA-N 2 1 242.432 2.298 20 0 BEADMP CS[C@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000521192235 388564394 /nfs/dbraw/zinc/56/43/94/388564394.db2.gz OCILFBUQBHIHSM-STQMWFEESA-N 2 1 242.432 2.298 20 0 BEADMP CS[C@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000521192235 388564395 /nfs/dbraw/zinc/56/43/95/388564395.db2.gz OCILFBUQBHIHSM-STQMWFEESA-N 2 1 242.432 2.298 20 0 BEADMP CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367621443 388566324 /nfs/dbraw/zinc/56/63/24/388566324.db2.gz SXDORDIQVCYDBG-YNEHKIRRSA-N 2 1 210.365 2.249 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C2CCCC2)[C@H]2CCC[C@H]21 ZINC000367625807 388566442 /nfs/dbraw/zinc/56/64/42/388566442.db2.gz ZAJPPFXMGKLSJP-HZSPNIEDSA-N 2 1 222.376 2.391 20 0 BEADMP CCCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000245412385 388577330 /nfs/dbraw/zinc/57/73/30/388577330.db2.gz ALXVSQKROVXQKK-OLZOCXBDSA-N 2 1 212.381 2.449 20 0 BEADMP CCCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000245412385 388577331 /nfs/dbraw/zinc/57/73/31/388577331.db2.gz ALXVSQKROVXQKK-OLZOCXBDSA-N 2 1 212.381 2.449 20 0 BEADMP CCCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000245412385 388577332 /nfs/dbraw/zinc/57/73/32/388577332.db2.gz ALXVSQKROVXQKK-OLZOCXBDSA-N 2 1 212.381 2.449 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCSC)[C@@H](C)C1 ZINC000245423593 388577929 /nfs/dbraw/zinc/57/79/29/388577929.db2.gz JOGBDUCKUMMYFF-STQMWFEESA-N 2 1 244.448 2.402 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCSC)[C@@H](C)C1 ZINC000245423593 388577931 /nfs/dbraw/zinc/57/79/31/388577931.db2.gz JOGBDUCKUMMYFF-STQMWFEESA-N 2 1 244.448 2.402 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCSC)[C@@H](C)C1 ZINC000245423593 388577933 /nfs/dbraw/zinc/57/79/33/388577933.db2.gz JOGBDUCKUMMYFF-STQMWFEESA-N 2 1 244.448 2.402 20 0 BEADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)CCOC ZINC000247923524 388670435 /nfs/dbraw/zinc/67/04/35/388670435.db2.gz BKOSNMUFXFKXFV-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H](C)CCOC ZINC000247923524 388670438 /nfs/dbraw/zinc/67/04/38/388670438.db2.gz BKOSNMUFXFKXFV-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CC=C(C)CC1 ZINC000551264969 388624668 /nfs/dbraw/zinc/62/46/68/388624668.db2.gz HNHBEJHDKHIQDC-AWEZNQCLSA-N 2 1 240.391 2.043 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+]1CC1CC(C)(C)C1 ZINC000530207808 388626165 /nfs/dbraw/zinc/62/61/65/388626165.db2.gz DOUQZQDYVDUERR-GFCCVEGCSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1cnccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000530208359 388627029 /nfs/dbraw/zinc/62/70/29/388627029.db2.gz SAYFGKCPHHGKBK-UHFFFAOYSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1cnccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000530208359 388627031 /nfs/dbraw/zinc/62/70/31/388627031.db2.gz SAYFGKCPHHGKBK-UHFFFAOYSA-N 2 1 245.370 2.106 20 0 BEADMP C[NH2+][C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC000530210829 388627511 /nfs/dbraw/zinc/62/75/11/388627511.db2.gz LTYOCCMEUWHKSH-LBPRGKRZSA-N 2 1 210.365 2.106 20 0 BEADMP C[NH2+][C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000530210829 388627513 /nfs/dbraw/zinc/62/75/13/388627513.db2.gz LTYOCCMEUWHKSH-LBPRGKRZSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000083056090 388629013 /nfs/dbraw/zinc/62/90/13/388629013.db2.gz MLXSVSLGIWPQKK-YPMHNXCESA-N 2 1 210.365 2.106 20 0 BEADMP CC1(C)CC(C[N@H+]2CC[C@](C)(C[NH3+])C2)C1 ZINC000530218223 388631744 /nfs/dbraw/zinc/63/17/44/388631744.db2.gz KNSYTYFJPHHGPY-CYBMUJFWSA-N 2 1 210.365 2.093 20 0 BEADMP CC1(C)CC(C[N@H+]2CC[C@@](C)(C[NH3+])C2)C1 ZINC000530218225 388631765 /nfs/dbraw/zinc/63/17/65/388631765.db2.gz KNSYTYFJPHHGPY-ZDUSSCGKSA-N 2 1 210.365 2.093 20 0 BEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC1CC(C)(C)C1 ZINC000530225159 388636018 /nfs/dbraw/zinc/63/60/18/388636018.db2.gz WUSFEQSWPMLIBB-WDEREUQCSA-N 2 1 210.365 2.092 20 0 BEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC1CC(C)(C)C1 ZINC000530227969 388636927 /nfs/dbraw/zinc/63/69/27/388636927.db2.gz WQDDCPUNPSMTPN-LLVKDONJSA-N 2 1 212.381 2.386 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1nccs1 ZINC000251284484 388642851 /nfs/dbraw/zinc/64/28/51/388642851.db2.gz SMFZTULDWITULI-GARJFASQSA-N 2 1 239.388 2.311 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)C2(C)CC2)C1 ZINC000246886053 388654370 /nfs/dbraw/zinc/65/43/70/388654370.db2.gz FDIJKVHFAQEVSH-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)C2CCC2)C1 ZINC000247183479 388659720 /nfs/dbraw/zinc/65/97/20/388659720.db2.gz VIUJXJAPEZGCBH-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H](C)C1CC1 ZINC000247390975 388663203 /nfs/dbraw/zinc/66/32/03/388663203.db2.gz VUNNSDBAXKQJGS-JHJVBQTASA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H](C)C1CC1 ZINC000247390975 388663204 /nfs/dbraw/zinc/66/32/04/388663204.db2.gz VUNNSDBAXKQJGS-JHJVBQTASA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000251763256 388752855 /nfs/dbraw/zinc/75/28/55/388752855.db2.gz DSABJECGWJNNGA-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP COC[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)C(C)C ZINC000086700181 388691104 /nfs/dbraw/zinc/69/11/04/388691104.db2.gz IBXWHIZYGKGFTE-KBPBESRZSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)CC1CC1 ZINC000252708697 388771072 /nfs/dbraw/zinc/77/10/72/388771072.db2.gz AWFBXDRQPJOYGL-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)CC1CC1 ZINC000252708697 388771077 /nfs/dbraw/zinc/77/10/77/388771077.db2.gz AWFBXDRQPJOYGL-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCCCC1 ZINC000252709663 388773623 /nfs/dbraw/zinc/77/36/23/388773623.db2.gz DLLBGMZBBXMCQZ-WCQYABFASA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCCCC1 ZINC000252709663 388773625 /nfs/dbraw/zinc/77/36/25/388773625.db2.gz DLLBGMZBBXMCQZ-WCQYABFASA-N 2 1 210.365 2.249 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000554725231 388828355 /nfs/dbraw/zinc/82/83/55/388828355.db2.gz UBTMQNUYPPFIOD-YUELXQCFSA-N 2 1 236.403 2.497 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000554725228 388828921 /nfs/dbraw/zinc/82/89/21/388828921.db2.gz UBTMQNUYPPFIOD-BPLDGKMQSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccncc1 ZINC000129579638 388855195 /nfs/dbraw/zinc/85/51/95/388855195.db2.gz XCCKNVBNJITRAZ-DYEKYZERSA-N 2 1 233.359 2.215 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccncc1 ZINC000129579638 388855197 /nfs/dbraw/zinc/85/51/97/388855197.db2.gz XCCKNVBNJITRAZ-DYEKYZERSA-N 2 1 233.359 2.215 20 0 BEADMP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000232673097 388855909 /nfs/dbraw/zinc/85/59/09/388855909.db2.gz UVLUOUFJFLXCGS-NWDGAFQWSA-N 2 1 236.359 2.472 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCCC2CC2)[C@H](C)C1 ZINC000129727713 388868530 /nfs/dbraw/zinc/86/85/30/388868530.db2.gz RSXUKPMYRCLOON-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000564823583 388892055 /nfs/dbraw/zinc/89/20/55/388892055.db2.gz HLINLAFPDHAXJF-YGRLFVJLSA-N 2 1 222.376 2.010 20 0 BEADMP C([NH2+][C@@H]1CCCC12CC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000565242672 388930535 /nfs/dbraw/zinc/93/05/35/388930535.db2.gz GVQSIDLWXWHNPR-TZMCWYRMSA-N 2 1 234.387 2.393 20 0 BEADMP C([NH2+][C@@H]1CCCC12CC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000565242666 388930843 /nfs/dbraw/zinc/93/08/43/388930843.db2.gz GVQSIDLWXWHNPR-GXTWGEPZSA-N 2 1 234.387 2.393 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cncc(F)c1 ZINC000268824978 389003936 /nfs/dbraw/zinc/00/39/36/389003936.db2.gz QQDDVKCCSGEEQX-SNVBAGLBSA-N 2 1 248.305 2.076 20 0 BEADMP CC[C@@H](C)C[NH2+]CCCn1cc[nH+]c1C ZINC000271746504 389023702 /nfs/dbraw/zinc/02/37/02/389023702.db2.gz YDNSEVDKRLAPPU-LLVKDONJSA-N 2 1 209.337 2.217 20 0 BEADMP Cc1ccc(F)c(C[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000271837676 389026845 /nfs/dbraw/zinc/02/68/45/389026845.db2.gz QEHKTDCAMVTKBO-UHFFFAOYSA-N 2 1 248.345 2.486 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(F)cc2)CC1 ZINC000271874091 389026879 /nfs/dbraw/zinc/02/68/79/389026879.db2.gz YTLMNTIGORTPMX-UHFFFAOYSA-N 2 1 234.318 2.177 20 0 BEADMP Cc1cc[nH+]c(NCC2=CC[N@H+](C)CC2)c1 ZINC000273934766 389044740 /nfs/dbraw/zinc/04/47/40/389044740.db2.gz KYYYRZIEONOZOX-UHFFFAOYSA-N 2 1 217.316 2.064 20 0 BEADMP Cc1cc[nH+]c(NCC2=CC[N@@H+](C)CC2)c1 ZINC000273934766 389044745 /nfs/dbraw/zinc/04/47/45/389044745.db2.gz KYYYRZIEONOZOX-UHFFFAOYSA-N 2 1 217.316 2.064 20 0 BEADMP Cc1cc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc[nH+]1 ZINC000274799037 132204052 /nfs/dbraw/zinc/20/40/52/132204052.db2.gz JMLALKGRPHSOJH-GFCCVEGCSA-N 2 1 242.326 2.497 20 0 BEADMP Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc[nH+]1 ZINC000274918801 132204370 /nfs/dbraw/zinc/20/43/70/132204370.db2.gz OTPKBPGOFJQGFP-UKRRQHHQSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc[nH+]1 ZINC000274918797 132204500 /nfs/dbraw/zinc/20/45/00/132204500.db2.gz OTPKBPGOFJQGFP-DZGCQCFKSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cccc(N2CCC([NH+]3CCCC3)CC2)[nH+]1 ZINC000127774130 132232181 /nfs/dbraw/zinc/23/21/81/132232181.db2.gz NBBLTDKEUVXYNS-UHFFFAOYSA-N 2 1 245.370 2.455 20 0 BEADMP Cc1cc[nH+]c(N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000063201402 132241636 /nfs/dbraw/zinc/24/16/36/132241636.db2.gz UGXUJEHOGOTPOI-AWEZNQCLSA-N 2 1 245.370 2.358 20 0 BEADMP Cc1cc[nH+]c(N2CCC([NH+]3CCCC3)CC2)c1 ZINC000301630077 132255600 /nfs/dbraw/zinc/25/56/00/132255600.db2.gz ILAWTVAJDCFTOH-UHFFFAOYSA-N 2 1 245.370 2.455 20 0 BEADMP C[C@H](F)CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000352012707 134036263 /nfs/dbraw/zinc/03/62/63/134036263.db2.gz GIKYMWJKDFUYKH-JSGCOSHPSA-N 2 1 242.382 2.398 20 0 BEADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)C(C)(C)C ZINC000168333752 134197928 /nfs/dbraw/zinc/19/79/28/134197928.db2.gz MPQVLLIGAAWRKP-GFCCVEGCSA-N 2 1 242.407 2.121 20 0 BEADMP Cc1ccsc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000168519451 134225481 /nfs/dbraw/zinc/22/54/81/134225481.db2.gz PMGFEGCVGCHVNX-GHMZBOCLSA-N 2 1 224.373 2.226 20 0 BEADMP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000219122340 134274873 /nfs/dbraw/zinc/27/48/73/134274873.db2.gz XMRDWBJBEDGNIL-MNOVXSKESA-N 2 1 222.307 2.167 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2C=CCCC2)C1 ZINC000173902828 134278661 /nfs/dbraw/zinc/27/86/61/134278661.db2.gz YVCXIVFZSRNSGZ-KBPBESRZSA-N 2 1 222.376 2.369 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000173902828 134278662 /nfs/dbraw/zinc/27/86/62/134278662.db2.gz YVCXIVFZSRNSGZ-KBPBESRZSA-N 2 1 222.376 2.369 20 0 BEADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000219843555 134292377 /nfs/dbraw/zinc/29/23/77/134292377.db2.gz IRUQXDSSJHUDKS-NSHDSACASA-N 2 1 238.762 2.429 20 0 BEADMP COCCC[C@@H](C)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000177844390 134303604 /nfs/dbraw/zinc/30/36/04/134303604.db2.gz BVGMJBJDKGDWOH-CYBMUJFWSA-N 2 1 242.407 2.266 20 0 BEADMP COCCC[C@@H](C)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000177844390 134303605 /nfs/dbraw/zinc/30/36/05/134303605.db2.gz BVGMJBJDKGDWOH-CYBMUJFWSA-N 2 1 242.407 2.266 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOC(C)C)[C@H](C)C1 ZINC000178192053 134304410 /nfs/dbraw/zinc/30/44/10/134304410.db2.gz HYMMUXZRUMTPQI-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP Cc1cc(NCCC[N@@H+](C)C(C)C)nc(C)[nH+]1 ZINC000221678672 134325990 /nfs/dbraw/zinc/32/59/90/134325990.db2.gz QREANTJAMREJTB-UHFFFAOYSA-N 2 1 236.363 2.236 20 0 BEADMP Cc1cc(NCCC[N@H+](C)C(C)C)nc(C)[nH+]1 ZINC000221678672 134325991 /nfs/dbraw/zinc/32/59/91/134325991.db2.gz QREANTJAMREJTB-UHFFFAOYSA-N 2 1 236.363 2.236 20 0 BEADMP CC(C)CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000221874653 134328520 /nfs/dbraw/zinc/32/85/20/134328520.db2.gz VEYBWBHZRZJHAJ-QWHCGFSZSA-N 2 1 212.381 2.352 20 0 BEADMP Cc1cncc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000181842523 134340053 /nfs/dbraw/zinc/34/00/53/134340053.db2.gz UKGNIQBFDWHJAB-GUTXKFCHSA-N 2 1 247.386 2.208 20 0 BEADMP Cc1cncc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000181842523 134340054 /nfs/dbraw/zinc/34/00/54/134340054.db2.gz UKGNIQBFDWHJAB-GUTXKFCHSA-N 2 1 247.386 2.208 20 0 BEADMP CCSCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000224012811 134344108 /nfs/dbraw/zinc/34/41/08/134344108.db2.gz CATCVZCDHXHIPW-QWHCGFSZSA-N 2 1 242.432 2.156 20 0 BEADMP CCSCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000224012811 134344109 /nfs/dbraw/zinc/34/41/09/134344109.db2.gz CATCVZCDHXHIPW-QWHCGFSZSA-N 2 1 242.432 2.156 20 0 BEADMP C(CC1CCCC1)C[N@@H+]1CCC[NH2+]CC1 ZINC000226414450 134365702 /nfs/dbraw/zinc/36/57/02/134365702.db2.gz JMFOYKZPRLDZSX-UHFFFAOYSA-N 2 1 210.365 2.252 20 0 BEADMP C(CC1CCCC1)C[N@H+]1CCC[NH2+]CC1 ZINC000226414450 134365703 /nfs/dbraw/zinc/36/57/03/134365703.db2.gz JMFOYKZPRLDZSX-UHFFFAOYSA-N 2 1 210.365 2.252 20 0 BEADMP CCc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)nc(C)[nH+]1 ZINC000226880845 134371402 /nfs/dbraw/zinc/37/14/02/134371402.db2.gz OCFSOXIRBVNIOY-GXFFZTMASA-N 2 1 248.374 2.242 20 0 BEADMP CCc1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)nc(C)[nH+]1 ZINC000226880845 134371403 /nfs/dbraw/zinc/37/14/03/134371403.db2.gz OCFSOXIRBVNIOY-GXFFZTMASA-N 2 1 248.374 2.242 20 0 BEADMP COc1ccc([C@H](C)[N@@H+](C)CCC[NH3+])cc1 ZINC000227744294 134392195 /nfs/dbraw/zinc/39/21/95/134392195.db2.gz ZKDIMNBAQPZYBP-NSHDSACASA-N 2 1 222.332 2.037 20 0 BEADMP COc1ccc(C)cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000228408526 134415565 /nfs/dbraw/zinc/41/55/65/134415565.db2.gz KZMHVDXPODZOPS-UHFFFAOYSA-N 2 1 248.370 2.235 20 0 BEADMP CCOC(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249128302 135035274 /nfs/dbraw/zinc/03/52/74/135035274.db2.gz RMQKLACBZCGNJY-OLZOCXBDSA-N 2 1 240.391 2.018 20 0 BEADMP c1coc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000250090127 135049356 /nfs/dbraw/zinc/04/93/56/135049356.db2.gz OUOOAHJYDHTKBJ-STQMWFEESA-N 2 1 234.343 2.039 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2C)C1 ZINC000250257088 135051315 /nfs/dbraw/zinc/05/13/15/135051315.db2.gz JFCSKVSNNWQWRT-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)CCOCC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000250597427 135056421 /nfs/dbraw/zinc/05/64/21/135056421.db2.gz OVUSHEOADZIKRU-KBPBESRZSA-N 2 1 242.407 2.251 20 0 BEADMP CC(C)CCOCC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000250597427 135056423 /nfs/dbraw/zinc/05/64/23/135056423.db2.gz OVUSHEOADZIKRU-KBPBESRZSA-N 2 1 242.407 2.251 20 0 BEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000251586182 135072143 /nfs/dbraw/zinc/07/21/43/135072143.db2.gz YYUPDPZZLUYRJG-KBPBESRZSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000251685502 135074889 /nfs/dbraw/zinc/07/48/89/135074889.db2.gz AQBRMURSNBXWDD-UPJWGTAASA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)C[C@H]1C ZINC000251757062 135076705 /nfs/dbraw/zinc/07/67/05/135076705.db2.gz JZPRVROTLFLZSG-YRGRVCCFSA-N 2 1 224.392 2.495 20 0 BEADMP [NH3+]C[C@@H]1CC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000086333526 135081920 /nfs/dbraw/zinc/08/19/20/135081920.db2.gz KJULWBFYQDHKBA-QMMMGPOBSA-N 2 1 230.764 2.182 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000086333526 135081922 /nfs/dbraw/zinc/08/19/22/135081922.db2.gz KJULWBFYQDHKBA-QMMMGPOBSA-N 2 1 230.764 2.182 20 0 BEADMP C[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000252208135 135086722 /nfs/dbraw/zinc/08/67/22/135086722.db2.gz VOSPQWKXVQJGNG-QWHCGFSZSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000252513591 135092149 /nfs/dbraw/zinc/09/21/49/135092149.db2.gz ZMTKJJBHRHCCOM-RFGFWPKPSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1CC[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)C1 ZINC000086701592 135093937 /nfs/dbraw/zinc/09/39/37/135093937.db2.gz DRZJUWLMSHKWQF-DGCLKSJQSA-N 2 1 210.365 2.106 20 0 BEADMP [NH3+]C[C@H]1CCC[C@H]1Nc1cc[nH+]cc1Cl ZINC000086840114 135098633 /nfs/dbraw/zinc/09/86/33/135098633.db2.gz UDZUFQMNSZBVSU-PSASIEDQSA-N 2 1 225.723 2.274 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC(C)(C)C ZINC000252709647 135099336 /nfs/dbraw/zinc/09/93/36/135099336.db2.gz DKIJWELMUNGWSK-NWDGAFQWSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCC(F)(F)F ZINC000252710538 135099588 /nfs/dbraw/zinc/09/95/88/135099588.db2.gz GYMNCFCUHOAHMO-NXEZZACHSA-N 2 1 238.297 2.259 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CCSCC1 ZINC000252712998 135100978 /nfs/dbraw/zinc/10/09/78/135100978.db2.gz NZWHJVMLTLSMDL-DGCLKSJQSA-N 2 1 242.432 2.059 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(C)CCC1 ZINC000252728926 135103967 /nfs/dbraw/zinc/10/39/67/135103967.db2.gz DKCLPCRMJLBEIG-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1cc(NCC2([NH3+])CCCCC2)nc(C)[nH+]1 ZINC000261559704 135110075 /nfs/dbraw/zinc/11/00/75/135110075.db2.gz TZFSKNZTEZNPSF-UHFFFAOYSA-N 2 1 234.347 2.167 20 0 BEADMP CCCCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252838325 135111637 /nfs/dbraw/zinc/11/16/37/135111637.db2.gz AGNNIWCLQKYANJ-RWMBFGLXSA-N 2 1 210.365 2.236 20 0 BEADMP CCC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252848006 135112512 /nfs/dbraw/zinc/11/25/12/135112512.db2.gz GIJVFFVYVVHYIS-XDQVBPFNSA-N 2 1 224.392 2.482 20 0 BEADMP CCC(CC)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252843100 135113335 /nfs/dbraw/zinc/11/33/35/135113335.db2.gz CXNWCHNUDGIZSF-IHRRRGAJSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H]1C[C@@H](C)[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000253063071 135120605 /nfs/dbraw/zinc/12/06/05/135120605.db2.gz GIYRGRDOZNJLRL-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1CC[N@@H+](Cc2cccs2)C[C@H]1C[NH3+] ZINC000253183486 135122898 /nfs/dbraw/zinc/12/28/98/135122898.db2.gz GOSSCKJLDSKVQF-WDEREUQCSA-N 2 1 224.373 2.165 20 0 BEADMP CC1CCC([N@H+](CC[NH3+])C[C@H]2CCCO2)CC1 ZINC000263034885 135123988 /nfs/dbraw/zinc/12/39/88/135123988.db2.gz SFKOWDDOZROIOJ-JXQTWKCFSA-N 2 1 240.391 2.005 20 0 BEADMP CC1CCC([N@@H+](CC[NH3+])C[C@H]2CCCO2)CC1 ZINC000263034885 135123989 /nfs/dbraw/zinc/12/39/89/135123989.db2.gz SFKOWDDOZROIOJ-JXQTWKCFSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@H](c1cccnc1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257663130 135138301 /nfs/dbraw/zinc/13/83/01/135138301.db2.gz CEHQDCDNAUAGAI-UKRRQHHQSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@H](c1cccnc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257663130 135138303 /nfs/dbraw/zinc/13/83/03/135138303.db2.gz CEHQDCDNAUAGAI-UKRRQHHQSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@@H](c1cccnc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257651018 135138736 /nfs/dbraw/zinc/13/87/36/135138736.db2.gz ADGBKMSAKZQNBP-ZDUSSCGKSA-N 2 1 245.370 2.218 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000257686247 135139044 /nfs/dbraw/zinc/13/90/44/135139044.db2.gz MHJQGNBHBHBNPT-INIZCTEOSA-N 2 1 244.382 2.489 20 0 BEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257690571 135139231 /nfs/dbraw/zinc/13/92/31/135139231.db2.gz JBACJOGWDMWQSV-ZFWWWQNUSA-N 2 1 230.355 2.433 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1C ZINC000257684127 135139268 /nfs/dbraw/zinc/13/92/68/135139268.db2.gz LSTXSQCSZOEVFO-MRXNPFEDSA-N 2 1 244.382 2.489 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1cc(C)ccc1C ZINC000087472266 135143581 /nfs/dbraw/zinc/14/35/81/135143581.db2.gz YCCHUTNOFKEPQC-UHFFFAOYSA-N 2 1 220.360 2.345 20 0 BEADMP C[NH2+]CCC[N@H+](C)Cc1ccc(F)cc1C ZINC000087472326 135143620 /nfs/dbraw/zinc/14/36/20/135143620.db2.gz LWLKIIHOQBAIBZ-UHFFFAOYSA-N 2 1 224.323 2.175 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(F)cc1C ZINC000087472326 135143622 /nfs/dbraw/zinc/14/36/22/135143622.db2.gz LWLKIIHOQBAIBZ-UHFFFAOYSA-N 2 1 224.323 2.175 20 0 BEADMP CCc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000261529285 135155289 /nfs/dbraw/zinc/15/52/89/135155289.db2.gz AOBAGDSKDXVXSO-GHMZBOCLSA-N 2 1 206.333 2.074 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])s1 ZINC000261529410 135155982 /nfs/dbraw/zinc/15/59/82/135155982.db2.gz RVDUOBQYFBGZBJ-BBBLOLIVSA-N 2 1 212.362 2.443 20 0 BEADMP CC1(C[N@H+]2CCC[C@@H](CC[NH3+])C2)CCC1 ZINC000261530139 135157608 /nfs/dbraw/zinc/15/76/08/135157608.db2.gz CBZLHOMRLOOPRT-LBPRGKRZSA-N 2 1 210.365 2.237 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000261530779 135158718 /nfs/dbraw/zinc/15/87/18/135158718.db2.gz DAOGTQJETADWAV-VOAKCMCISA-N 2 1 210.365 2.105 20 0 BEADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccsc1 ZINC000261530967 135158885 /nfs/dbraw/zinc/15/88/85/135158885.db2.gz DSXKCCCKVPZXSH-LLVKDONJSA-N 2 1 224.373 2.226 20 0 BEADMP C[C@H]1C[N@@H+](CC2CCC(C)CC2)C[C@H]1[NH3+] ZINC000261531874 135161628 /nfs/dbraw/zinc/16/16/28/135161628.db2.gz IDYCQYCDURYUMF-PYNQCMFNSA-N 2 1 210.365 2.092 20 0 BEADMP CC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000261532728 135163139 /nfs/dbraw/zinc/16/31/39/135163139.db2.gz DIKLLNDKUDNXFW-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000261532751 135163583 /nfs/dbraw/zinc/16/35/83/135163583.db2.gz DWKNIUVZVJBHKL-MQYQWHSLSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)[C@@H]1C ZINC000261533513 135164774 /nfs/dbraw/zinc/16/47/74/135164774.db2.gz BEUSTCWIWJNKHW-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)[C@H]1C ZINC000261533512 135164822 /nfs/dbraw/zinc/16/48/22/135164822.db2.gz BEUSTCWIWJNKHW-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1[C@@H](C)CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000261533511 135164863 /nfs/dbraw/zinc/16/48/63/135164863.db2.gz BEUSTCWIWJNKHW-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000261535241 135169520 /nfs/dbraw/zinc/16/95/20/135169520.db2.gz XECAGSGUGWSYDN-MCIONIFRSA-N 2 1 224.392 2.352 20 0 BEADMP Cc1nc(C)c([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])s1 ZINC000261535649 135170378 /nfs/dbraw/zinc/17/03/78/135170378.db2.gz OXGWRAQDYUNPRT-FXQIFTODSA-N 2 1 227.377 2.146 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC2(C)CCC2)C1 ZINC000261538374 135176285 /nfs/dbraw/zinc/17/62/85/135176285.db2.gz XWGFWHCZJIHZGQ-RYUDHWBXSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC2(C)CCC2)C1 ZINC000261538373 135176676 /nfs/dbraw/zinc/17/66/76/135176676.db2.gz XWGFWHCZJIHZGQ-NWDGAFQWSA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261539799 135178812 /nfs/dbraw/zinc/17/88/12/135178812.db2.gz DEPZGYNZQVWNCI-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]1CCC[C@H](C[N@H+](C)CC[NH2+]C)C1 ZINC000261541998 135182714 /nfs/dbraw/zinc/18/27/14/135182714.db2.gz GGAVXZLLOJEGIG-OLZOCXBDSA-N 2 1 212.381 2.354 20 0 BEADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)CC[NH2+]C)C1 ZINC000261541998 135182715 /nfs/dbraw/zinc/18/27/15/135182715.db2.gz GGAVXZLLOJEGIG-OLZOCXBDSA-N 2 1 212.381 2.354 20 0 BEADMP Cc1ncsc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000084149529 135188530 /nfs/dbraw/zinc/18/85/30/135188530.db2.gz GGRNWYUNUNONBA-LLVKDONJSA-N 2 1 239.388 2.155 20 0 BEADMP C[C@@H]1CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261549496 135188652 /nfs/dbraw/zinc/18/86/52/135188652.db2.gz ORMCVSNPTSCJNU-GFCCVEGCSA-N 2 1 210.365 2.108 20 0 BEADMP C(C1CCCCCC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261553548 135193057 /nfs/dbraw/zinc/19/30/57/135193057.db2.gz NZMDATUUTGIFAF-GJZGRUSLSA-N 2 1 236.403 2.498 20 0 BEADMP C(C1CCCCCC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261553549 135193165 /nfs/dbraw/zinc/19/31/65/135193165.db2.gz NZMDATUUTGIFAF-HUUCEWRRSA-N 2 1 236.403 2.498 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261554053 135193685 /nfs/dbraw/zinc/19/36/85/135193685.db2.gz AOXVSQNJHNTAEQ-ZBFHGGJFSA-N 2 1 244.382 2.290 20 0 BEADMP Cc1ccc(F)c(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000261555545 135194921 /nfs/dbraw/zinc/19/49/21/135194921.db2.gz PWPAMEGXNMVWFK-AWEZNQCLSA-N 2 1 236.334 2.305 20 0 BEADMP Cc1ccc(F)c(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000261555545 135194923 /nfs/dbraw/zinc/19/49/23/135194923.db2.gz PWPAMEGXNMVWFK-AWEZNQCLSA-N 2 1 236.334 2.305 20 0 BEADMP CC[C@H]1CCC[C@H](C[N@H+]2CC[C@@H](N)C2)C1 ZINC000261555769 135194982 /nfs/dbraw/zinc/19/49/82/135194982.db2.gz VGSDJIONGWUPKW-RWMBFGLXSA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@H]1CCC[C@H](C[N@@H+]2CC[C@@H]([NH3+])C2)C1 ZINC000261555769 135194983 /nfs/dbraw/zinc/19/49/83/135194983.db2.gz VGSDJIONGWUPKW-RWMBFGLXSA-N 2 1 210.365 2.236 20 0 BEADMP CC[N@@H+](CCC1CC[NH2+]CC1)C1CCC1 ZINC000261555404 135195600 /nfs/dbraw/zinc/19/56/00/135195600.db2.gz UWNMNPZOESDFLH-UHFFFAOYSA-N 2 1 210.365 2.251 20 0 BEADMP Cc1ccc(F)c(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000261555546 135195722 /nfs/dbraw/zinc/19/57/22/135195722.db2.gz PWPAMEGXNMVWFK-CQSZACIVSA-N 2 1 236.334 2.305 20 0 BEADMP Cc1ccc(F)c(C[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000261555546 135195723 /nfs/dbraw/zinc/19/57/23/135195723.db2.gz PWPAMEGXNMVWFK-CQSZACIVSA-N 2 1 236.334 2.305 20 0 BEADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1F ZINC000261556130 135195901 /nfs/dbraw/zinc/19/59/01/135195901.db2.gz QIXQLHIIPPNOBH-CYBMUJFWSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261556908 135196690 /nfs/dbraw/zinc/19/66/90/135196690.db2.gz CFRTWQJWHXLSGL-CWRNSKLLSA-N 2 1 244.382 2.473 20 0 BEADMP CCOc1cccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000261556931 135197279 /nfs/dbraw/zinc/19/72/79/135197279.db2.gz CGKXMIJCPYXGPC-OAHLLOKOSA-N 2 1 248.370 2.256 20 0 BEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000261558089 135198914 /nfs/dbraw/zinc/19/89/14/135198914.db2.gz SGHYVCKLMWNWEF-MNOVXSKESA-N 2 1 229.327 2.060 20 0 BEADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261560272 135200991 /nfs/dbraw/zinc/20/09/91/135200991.db2.gz FENSAJGFFFIEOV-OAHLLOKOSA-N 2 1 248.345 2.320 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261560272 135200993 /nfs/dbraw/zinc/20/09/93/135200993.db2.gz FENSAJGFFFIEOV-OAHLLOKOSA-N 2 1 248.345 2.320 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261561598 135202810 /nfs/dbraw/zinc/20/28/10/135202810.db2.gz FZSFWDYBRZCXMJ-JKSUJKDBSA-N 2 1 244.382 2.290 20 0 BEADMP Cc1nc(C)c(C[NH2+][C@](C)(C[NH3+])C(C)C)s1 ZINC000261562096 135203649 /nfs/dbraw/zinc/20/36/49/135203649.db2.gz BADOMWBTSYRQAH-GFCCVEGCSA-N 2 1 241.404 2.223 20 0 BEADMP COc1cccc([C@H](C)[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000261563964 135206075 /nfs/dbraw/zinc/20/60/75/135206075.db2.gz HDIKRDYLWVKQSC-SWLSCSKDSA-N 2 1 248.370 2.427 20 0 BEADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCc1ccccc1 ZINC000261563867 135206348 /nfs/dbraw/zinc/20/63/48/135206348.db2.gz CDWMWJAMHYJVGZ-AWEZNQCLSA-N 2 1 220.360 2.192 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1C ZINC000261565667 135207452 /nfs/dbraw/zinc/20/74/52/135207452.db2.gz HXAQDRVUJNSRLH-XHSDSOJGSA-N 2 1 244.382 2.473 20 0 BEADMP CCC[N@@H+](Cc1ccccc1)C[C@H](C)[NH3+] ZINC000261566918 135208439 /nfs/dbraw/zinc/20/84/39/135208439.db2.gz DSNRUWOUZCQHLD-LBPRGKRZSA-N 2 1 206.333 2.246 20 0 BEADMP CCC[N@H+](Cc1ccccc1)C[C@H](C)[NH3+] ZINC000261566918 135208441 /nfs/dbraw/zinc/20/84/41/135208441.db2.gz DSNRUWOUZCQHLD-LBPRGKRZSA-N 2 1 206.333 2.246 20 0 BEADMP CCSCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000164012730 135211845 /nfs/dbraw/zinc/21/18/45/135211845.db2.gz KMJVVIQMIYHQLA-QWHCGFSZSA-N 2 1 242.432 2.346 20 0 BEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccc(F)cc1 ZINC000261570414 135211875 /nfs/dbraw/zinc/21/18/75/135211875.db2.gz GXDXHDGYSJMLQQ-CYBMUJFWSA-N 2 1 224.323 2.289 20 0 BEADMP CCc1nc(N[C@@H](C[NH3+])C2CCCC2)cc(C)[nH+]1 ZINC000261572546 135214979 /nfs/dbraw/zinc/21/49/79/135214979.db2.gz LRXGVBFVFYBGIO-LBPRGKRZSA-N 2 1 248.374 2.277 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261574273 135215518 /nfs/dbraw/zinc/21/55/18/135215518.db2.gz MQROYXJMEJMJKV-ZBFHGGJFSA-N 2 1 244.382 2.487 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000261574188 135216011 /nfs/dbraw/zinc/21/60/11/135216011.db2.gz MNKTVQRGEZGBFJ-KBPBESRZSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000261574188 135216013 /nfs/dbraw/zinc/21/60/13/135216013.db2.gz MNKTVQRGEZGBFJ-KBPBESRZSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261578035 135219142 /nfs/dbraw/zinc/21/91/42/135219142.db2.gz OSDXXPLPHGBHPI-IUODEOHRSA-N 2 1 248.345 2.318 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261578035 135219143 /nfs/dbraw/zinc/21/91/43/135219143.db2.gz OSDXXPLPHGBHPI-IUODEOHRSA-N 2 1 248.345 2.318 20 0 BEADMP C[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000261581569 135222493 /nfs/dbraw/zinc/22/24/93/135222493.db2.gz QSNZEXOQHWFZSE-KBMXLJTQSA-N 2 1 244.382 2.474 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261585269 135225663 /nfs/dbraw/zinc/22/56/63/135225663.db2.gz SYCOEISHVRGNQR-AEGPPILISA-N 2 1 248.345 2.303 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261585272 135225798 /nfs/dbraw/zinc/22/57/98/135225798.db2.gz SYCOEISHVRGNQR-QEJZJMRPSA-N 2 1 248.345 2.303 20 0 BEADMP CCc1nc(N[C@H]2CCCC[C@@H]2C[NH3+])cc(C)[nH+]1 ZINC000261584597 135225831 /nfs/dbraw/zinc/22/58/31/135225831.db2.gz SKDZXNRBAIDBIK-NEPJUHHUSA-N 2 1 248.374 2.277 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261585235 135225837 /nfs/dbraw/zinc/22/58/37/135225837.db2.gz SWJQHFZZMYXRIT-HZPDHXFCSA-N 2 1 244.382 2.433 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261584942 135225927 /nfs/dbraw/zinc/22/59/27/135225927.db2.gz SRSCIAHDAQXJOE-HNNXBMFYSA-N 2 1 248.345 2.320 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261584942 135225928 /nfs/dbraw/zinc/22/59/28/135225928.db2.gz SRSCIAHDAQXJOE-HNNXBMFYSA-N 2 1 248.345 2.320 20 0 BEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@@H]12 ZINC000261589262 135229940 /nfs/dbraw/zinc/22/99/40/135229940.db2.gz WEYFXHHMOUYZGT-BKBYIFCJSA-N 2 1 242.366 2.369 20 0 BEADMP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261589528 135230032 /nfs/dbraw/zinc/23/00/32/135230032.db2.gz WHZGBLCSYVTJOO-BNOWGMLFSA-N 2 1 248.345 2.428 20 0 BEADMP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261589528 135230033 /nfs/dbraw/zinc/23/00/33/135230033.db2.gz WHZGBLCSYVTJOO-BNOWGMLFSA-N 2 1 248.345 2.428 20 0 BEADMP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261589529 135230387 /nfs/dbraw/zinc/23/03/87/135230387.db2.gz WHZGBLCSYVTJOO-KWCYVHTRSA-N 2 1 248.345 2.428 20 0 BEADMP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261589529 135230389 /nfs/dbraw/zinc/23/03/89/135230389.db2.gz WHZGBLCSYVTJOO-KWCYVHTRSA-N 2 1 248.345 2.428 20 0 BEADMP C[C@H]1CCC[C@@H](C[N@@H+](C)C2CC[NH2+]CC2)C1 ZINC000261592013 135232609 /nfs/dbraw/zinc/23/26/09/135232609.db2.gz VQTSRFLOSWNUPG-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H](C[N@@H+]1CC[C@H]([NH3+])[C@H]1C)c1ccccc1 ZINC000261592614 135232869 /nfs/dbraw/zinc/23/28/69/135232869.db2.gz VYNGUEIGFQZPAH-BZPMIXESSA-N 2 1 218.344 2.212 20 0 BEADMP C[C@H](C[N@H+]1CC[C@H]([NH3+])[C@H]1C)c1ccccc1 ZINC000261592614 135232870 /nfs/dbraw/zinc/23/28/70/135232870.db2.gz VYNGUEIGFQZPAH-BZPMIXESSA-N 2 1 218.344 2.212 20 0 BEADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261546362 135238488 /nfs/dbraw/zinc/23/84/88/135238488.db2.gz KWYUBRNJUFHSOI-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@@H+](CCC1CC1)C[C@]1(C)CC[NH2+]C1 ZINC000261547958 135240881 /nfs/dbraw/zinc/24/08/81/135240881.db2.gz MWZXEZFLNHGMEZ-CYBMUJFWSA-N 2 1 210.365 2.108 20 0 BEADMP COc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1C ZINC000261644284 135242796 /nfs/dbraw/zinc/24/27/96/135242796.db2.gz AMBUYKXAVCXQEB-GXTWGEPZSA-N 2 1 248.370 2.173 20 0 BEADMP C[C@@H]1CC[C@@]2(CC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)C1 ZINC000261742115 135248917 /nfs/dbraw/zinc/24/89/17/135248917.db2.gz IPYBQJWJXJRRKF-RBSFLKMASA-N 2 1 236.403 2.498 20 0 BEADMP Cc1ccc(CC[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261754116 135249799 /nfs/dbraw/zinc/24/97/99/135249799.db2.gz LKAJZHDAFGZPQC-HNNXBMFYSA-N 2 1 232.371 2.208 20 0 BEADMP CCC[C@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261756366 135250140 /nfs/dbraw/zinc/25/01/40/135250140.db2.gz KXDZCGZFQXKGMY-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP CS[C@@H]1CCCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261759659 135250908 /nfs/dbraw/zinc/25/09/08/135250908.db2.gz LDLMSKSTNMGGJA-CHWSQXEVSA-N 2 1 242.432 2.204 20 0 BEADMP FC(F)[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261811311 135254468 /nfs/dbraw/zinc/25/44/68/135254468.db2.gz HQNJPBGUPXJLDB-NSHDSACASA-N 2 1 232.318 2.106 20 0 BEADMP FC(F)[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261811311 135254470 /nfs/dbraw/zinc/25/44/70/135254470.db2.gz HQNJPBGUPXJLDB-NSHDSACASA-N 2 1 232.318 2.106 20 0 BEADMP FC(F)[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261811309 135254592 /nfs/dbraw/zinc/25/45/92/135254592.db2.gz HQNJPBGUPXJLDB-LLVKDONJSA-N 2 1 232.318 2.106 20 0 BEADMP FC(F)[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261811309 135254594 /nfs/dbraw/zinc/25/45/94/135254594.db2.gz HQNJPBGUPXJLDB-LLVKDONJSA-N 2 1 232.318 2.106 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1(C)C ZINC000261813352 135255551 /nfs/dbraw/zinc/25/55/51/135255551.db2.gz HVAWEDALHFXRML-OLZOCXBDSA-N 2 1 224.392 2.354 20 0 BEADMP CC1(C)CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261831579 135256128 /nfs/dbraw/zinc/25/61/28/135256128.db2.gz JCRMSSIXQWRNPO-UHFFFAOYSA-N 2 1 224.392 2.498 20 0 BEADMP Cn1cccc1[C@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261867953 135257905 /nfs/dbraw/zinc/25/79/05/135257905.db2.gz OGEBFWIOUGWAFJ-HUUCEWRRSA-N 2 1 247.386 2.162 20 0 BEADMP C[C@@H]1CC2(CCC2)C[N@H+]1CC1CC[NH2+]CC1 ZINC000261864441 135258166 /nfs/dbraw/zinc/25/81/66/135258166.db2.gz UPXJDYBQYUOFQH-GFCCVEGCSA-N 2 1 222.376 2.251 20 0 BEADMP COc1ccc([C@H](C)C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000261918708 135262570 /nfs/dbraw/zinc/26/25/70/135262570.db2.gz BJRCVZGZKAFYNS-XUJVJEKNSA-N 2 1 248.370 2.078 20 0 BEADMP COc1ccc([C@H](C)C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000261918708 135262571 /nfs/dbraw/zinc/26/25/71/135262571.db2.gz BJRCVZGZKAFYNS-XUJVJEKNSA-N 2 1 248.370 2.078 20 0 BEADMP C[C@H](C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1)c1ccc(F)cc1 ZINC000261953936 135266348 /nfs/dbraw/zinc/26/63/48/135266348.db2.gz GIIHAWNZOMSUQB-SUNKGSAMSA-N 2 1 236.334 2.208 20 0 BEADMP C[C@H](C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1)c1ccc(F)cc1 ZINC000261953936 135266349 /nfs/dbraw/zinc/26/63/49/135266349.db2.gz GIIHAWNZOMSUQB-SUNKGSAMSA-N 2 1 236.334 2.208 20 0 BEADMP CC(C)[C@@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261984038 135269781 /nfs/dbraw/zinc/26/97/81/135269781.db2.gz JMJBEQXJISNDLP-KGLIPLIRSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3CCC[C@H]32)CC[NH2+]1 ZINC000262013536 135272879 /nfs/dbraw/zinc/27/28/79/135272879.db2.gz UZPGLQJZOLKUSJ-YIYPIFLZSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1CCC[C@H](C)[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262043240 135275804 /nfs/dbraw/zinc/27/58/04/135275804.db2.gz PJMDZKLQCWQFGX-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@](C[NH3+])([NH2+]Cc1cccc(F)c1)C1CC1 ZINC000262069847 135276790 /nfs/dbraw/zinc/27/67/90/135276790.db2.gz CCBZEUWGZDOJIM-ZDUSSCGKSA-N 2 1 222.307 2.043 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262122206 135280183 /nfs/dbraw/zinc/28/01/83/135280183.db2.gz XJDGNGXMHKAPOG-QLFBSQMISA-N 2 1 236.403 2.498 20 0 BEADMP CCc1nc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cs1 ZINC000262151956 135282094 /nfs/dbraw/zinc/28/20/94/135282094.db2.gz GCENKXNHUDBYSK-VHSXEESVSA-N 2 1 239.388 2.065 20 0 BEADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000084384511 135471147 /nfs/dbraw/zinc/47/11/47/135471147.db2.gz JXGKCFBQXJRURJ-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP CCc1cc(NCC[C@H]2CCC[NH2+]C2)nc(C)[nH+]1 ZINC000088760632 135527314 /nfs/dbraw/zinc/52/73/14/135527314.db2.gz CSMCMPYMLREJRX-GFCCVEGCSA-N 2 1 248.374 2.149 20 0 BEADMP C[C@H]1CCCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000334966026 135852646 /nfs/dbraw/zinc/85/26/46/135852646.db2.gz DNPNFIITOIVFAB-STQMWFEESA-N 2 1 210.365 2.108 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC12CCC2 ZINC000335311878 136030178 /nfs/dbraw/zinc/03/01/78/136030178.db2.gz NYEDWNKQLHDRBK-CYBMUJFWSA-N 2 1 222.376 2.489 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC12CCC2 ZINC000335311878 136030179 /nfs/dbraw/zinc/03/01/79/136030179.db2.gz NYEDWNKQLHDRBK-CYBMUJFWSA-N 2 1 222.376 2.489 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@](C)(F)C1 ZINC000348122153 136032905 /nfs/dbraw/zinc/03/29/05/136032905.db2.gz COBWKGIHRAESMH-CYBMUJFWSA-N 2 1 239.338 2.406 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@](C)(F)C1 ZINC000348122153 136032906 /nfs/dbraw/zinc/03/29/06/136032906.db2.gz COBWKGIHRAESMH-CYBMUJFWSA-N 2 1 239.338 2.406 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2C(F)F)[C@@H]2CCC[C@H]21 ZINC000348253792 136057517 /nfs/dbraw/zinc/05/75/17/136057517.db2.gz FNDHLNSTAPQOMF-KKJSVHSVSA-N 2 1 244.329 2.102 20 0 BEADMP CC1(F)CC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000335373836 136084709 /nfs/dbraw/zinc/08/47/09/136084709.db2.gz OHBCBYZXPSWXOA-QCXCNERSSA-N 2 1 226.339 2.093 20 0 BEADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000335551912 136098390 /nfs/dbraw/zinc/09/83/90/136098390.db2.gz KSYGBPYNUWZWDR-AWEZNQCLSA-N 2 1 246.354 2.018 20 0 BEADMP Cc1ccsc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335554095 136098752 /nfs/dbraw/zinc/09/87/52/136098752.db2.gz CCOMTBNJWHYKEO-UHFFFAOYSA-N 2 1 236.384 2.384 20 0 BEADMP C[C@H](Cc1ccc(F)cc1)[N@@H+]1CCC[NH2+]CC1 ZINC000062076043 1172737588 /nfs/dbraw/zinc/73/75/88/1172737588.db2.gz YPZZZHYSXPHPPX-GFCCVEGCSA-N 2 1 236.334 2.052 20 0 BEADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1CCC[NH2+]CC1 ZINC000062076043 1172737595 /nfs/dbraw/zinc/73/75/95/1172737595.db2.gz YPZZZHYSXPHPPX-GFCCVEGCSA-N 2 1 236.334 2.052 20 0 BEADMP CC[C@H]1CC[C@H](C)[N@H+]1CCn1ccnc1C ZINC000357525647 397937595 /nfs/dbraw/zinc/93/75/95/397937595.db2.gz FAEXDRCPKLIXAV-AAEUAGOBSA-N 2 1 221.348 2.454 20 0 BEADMP Cc1cc(C)cc(OCC[NH2+]CC2([NH3+])CCC2)c1 ZINC000647907556 397952693 /nfs/dbraw/zinc/95/26/93/397952693.db2.gz UKFBBBZRHFFRDF-UHFFFAOYSA-N 2 1 248.370 2.153 20 0 BEADMP Cc1ccncc1CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000269617642 397958030 /nfs/dbraw/zinc/95/80/30/397958030.db2.gz RQIXXATYNYXPEO-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP C[C@@H]1CCC[C@@H](CC[N@@H+](C)CCC[NH3+])C1 ZINC000390477605 397891162 /nfs/dbraw/zinc/89/11/62/397891162.db2.gz LJEXWSGWVJYGOE-OLZOCXBDSA-N 2 1 212.381 2.483 20 0 BEADMP C[C@@H]1CCC[C@H](CC[N@@H+](C)CCC[NH3+])C1 ZINC000390477604 397891204 /nfs/dbraw/zinc/89/12/04/397891204.db2.gz LJEXWSGWVJYGOE-CHWSQXEVSA-N 2 1 212.381 2.483 20 0 BEADMP [NH3+][C@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414659163 398007702 /nfs/dbraw/zinc/00/77/02/398007702.db2.gz SFXAMAQQTSORPN-KKUMJFAQSA-N 2 1 230.355 2.213 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414659163 398007707 /nfs/dbraw/zinc/00/77/07/398007707.db2.gz SFXAMAQQTSORPN-KKUMJFAQSA-N 2 1 230.355 2.213 20 0 BEADMP Fc1cc(F)cc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414826529 398048785 /nfs/dbraw/zinc/04/87/85/398048785.db2.gz JABDKWCMLWZAQI-JTQLQIEISA-N 2 1 240.297 2.054 20 0 BEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CC(C)C1 ZINC000184343415 398033475 /nfs/dbraw/zinc/03/34/75/398033475.db2.gz PMXZPGDAPSFEJG-AKJDGMEZSA-N 2 1 221.348 2.216 20 0 BEADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000388644608 397987759 /nfs/dbraw/zinc/98/77/59/397987759.db2.gz PUJVUYOPOTZHMT-FRRDWIJNSA-N 2 1 210.365 2.297 20 0 BEADMP CCC(CC)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086637303 398055898 /nfs/dbraw/zinc/05/58/98/398055898.db2.gz DFYQDGDOVVBHRQ-UHFFFAOYSA-N 2 1 200.370 2.339 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](CC2CCC2)C[C@@H]1C[NH3+] ZINC000397321473 398120698 /nfs/dbraw/zinc/12/06/98/398120698.db2.gz SXUIMHBGRVDDCH-MDZLAQPJSA-N 2 1 210.365 2.092 20 0 BEADMP CC[C@@H]1C[N@@H+](CC2(C)CCC2)CC[C@@H]1[NH3+] ZINC000389693477 398125201 /nfs/dbraw/zinc/12/52/01/398125201.db2.gz IFOAPNIPAXYCBQ-NEPJUHHUSA-N 2 1 210.365 2.236 20 0 BEADMP Cc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1F ZINC000070160161 398127470 /nfs/dbraw/zinc/12/74/70/398127470.db2.gz IVPNFSHPSSHNGU-UHFFFAOYSA-N 2 1 236.334 2.318 20 0 BEADMP CC(C)[NH2+]C1CC[NH+](CCCCF)CC1 ZINC000309018256 167095514 /nfs/dbraw/zinc/09/55/14/167095514.db2.gz VNTRTCJISUODMB-UHFFFAOYSA-N 2 1 216.344 2.199 20 0 BEADMP C[C@H]1C[N@@H+](CCC(C)(C)C2CC2)CC[C@H]1[NH3+] ZINC000382254336 487536039 /nfs/dbraw/zinc/53/60/39/487536039.db2.gz VVZDTUNYIIWSMK-WCQYABFASA-N 2 1 224.392 2.482 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC000334844114 487571910 /nfs/dbraw/zinc/57/19/10/487571910.db2.gz GFLJWJNGHKRSEP-MNOVXSKESA-N 2 1 240.297 2.324 20 0 BEADMP [NH3+]CCC[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000334859475 487572088 /nfs/dbraw/zinc/57/20/88/487572088.db2.gz ZBOWYESBRNDSMN-CYBMUJFWSA-N 2 1 208.349 2.158 20 0 BEADMP CC1=C[C@H](C)C[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000685839072 487585580 /nfs/dbraw/zinc/58/55/80/487585580.db2.gz YWFMQHHTNUNLGK-PMOUVXMZSA-N 2 1 234.387 2.130 20 0 BEADMP Cc1ccoc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001651697617 1172976251 /nfs/dbraw/zinc/97/62/51/1172976251.db2.gz DRVKPTFTLAACDL-FRRDWIJNSA-N 2 1 234.343 2.018 20 0 BEADMP Cc1ccoc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001651697617 1172976255 /nfs/dbraw/zinc/97/62/55/1172976255.db2.gz DRVKPTFTLAACDL-FRRDWIJNSA-N 2 1 234.343 2.018 20 0 BEADMP CC[C@H](C[NH2+][C@H](C)C[NH2+]C)c1ccccc1 ZINC000162109035 487608031 /nfs/dbraw/zinc/60/80/31/487608031.db2.gz OVJDIKIKMNPSDQ-CHWSQXEVSA-N 2 1 220.360 2.378 20 0 BEADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662265604 409563827 /nfs/dbraw/zinc/56/38/27/409563827.db2.gz SDGNNQZPKNRPBN-LJIZCISZSA-N 2 1 248.414 2.497 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662244084 409534827 /nfs/dbraw/zinc/53/48/27/409534827.db2.gz GLQCSASNHIOFRR-QNSTZXKLSA-N 2 1 222.376 2.092 20 0 BEADMP CO[C@@H](C[N@@H+](C)CC(C)(C)C[NH3+])C1CCCC1 ZINC000662247904 409545445 /nfs/dbraw/zinc/54/54/45/409545445.db2.gz ODKGBZMWEAJDTE-ZDUSSCGKSA-N 2 1 242.407 2.108 20 0 BEADMP FCC[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000662310141 409633347 /nfs/dbraw/zinc/63/33/47/409633347.db2.gz HNWZVAKUMNKLJA-QWHCGFSZSA-N 2 1 228.355 2.058 20 0 BEADMP CC[C@@H]1C[N@@H+](CCC=C(C)C)CC[C@H]1[NH3+] ZINC000662269672 409572919 /nfs/dbraw/zinc/57/29/19/409572919.db2.gz CVFFTEVARRAWNN-CHWSQXEVSA-N 2 1 210.365 2.402 20 0 BEADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662272621 409576655 /nfs/dbraw/zinc/57/66/55/409576655.db2.gz GXRCAYTYSXGQPE-XJFOESAGSA-N 2 1 222.376 2.236 20 0 BEADMP CO[C@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)C1CCCC1 ZINC000662277282 409590557 /nfs/dbraw/zinc/59/05/57/409590557.db2.gz PEJVNZFPMCMMCW-CHWSQXEVSA-N 2 1 242.407 2.155 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000662282907 409607393 /nfs/dbraw/zinc/60/73/93/409607393.db2.gz DGAUQYCKLCWKPF-MXWKQRLJSA-N 2 1 234.334 2.479 20 0 BEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCC1CCC1 ZINC000662284755 409615168 /nfs/dbraw/zinc/61/51/68/409615168.db2.gz PGFADEHBDLHCQR-WCQYABFASA-N 2 1 210.365 2.378 20 0 BEADMP COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000259112283 409731851 /nfs/dbraw/zinc/73/18/51/409731851.db2.gz SSIHJGZCBADNPB-ZIAGYGMSSA-N 2 1 234.343 2.055 20 0 BEADMP CC(C)SCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000304325758 167331329 /nfs/dbraw/zinc/33/13/29/167331329.db2.gz SVLFBSJFILVEQY-OLZOCXBDSA-N 2 1 242.432 2.344 20 0 BEADMP C[C@H](C[NH2+]Cc1cc2cnccc2o1)C[NH+](C)C ZINC000651967518 409807553 /nfs/dbraw/zinc/80/75/53/409807553.db2.gz JFXMZGQFMIXAQT-LLVKDONJSA-N 2 1 247.342 2.115 20 0 BEADMP C[C@@H](C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1)C(C)(C)C ZINC000308778196 409904852 /nfs/dbraw/zinc/90/48/52/409904852.db2.gz BITYDJCGAZNBRK-SRVKXCTJSA-N 2 1 212.381 2.338 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000404502543 409884190 /nfs/dbraw/zinc/88/41/90/409884190.db2.gz FBAVXFNRRXHQJJ-KBPBESRZSA-N 2 1 242.407 2.249 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000404502543 409884196 /nfs/dbraw/zinc/88/41/96/409884196.db2.gz FBAVXFNRRXHQJJ-KBPBESRZSA-N 2 1 242.407 2.249 20 0 BEADMP CC[C@H]1C[N@@H+](CCCCCF)CC[C@H]1[NH3+] ZINC000308916723 409936197 /nfs/dbraw/zinc/93/61/97/409936197.db2.gz INEBBGKPIJBPOK-NWDGAFQWSA-N 2 1 216.344 2.185 20 0 BEADMP C[C@@H]([NH2+]Cc1cccc2c1CCC2)[C@H](C)[NH3+] ZINC000650703639 410332493 /nfs/dbraw/zinc/33/24/93/410332493.db2.gz JXHAAOGVLLDZPG-WDEREUQCSA-N 2 1 218.344 2.001 20 0 BEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc2c1CCC2 ZINC000650703636 410332551 /nfs/dbraw/zinc/33/25/51/410332551.db2.gz JXHAAOGVLLDZPG-GHMZBOCLSA-N 2 1 218.344 2.001 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2cccc3c2CCC3)CCC1 ZINC000650703522 410333172 /nfs/dbraw/zinc/33/31/72/410333172.db2.gz DBPXZJJRZMLNOZ-UHFFFAOYSA-N 2 1 230.355 2.146 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1cccc2c1CCC2 ZINC000650704155 410335846 /nfs/dbraw/zinc/33/58/46/410335846.db2.gz KJLGGDIYEVIZHC-UHFFFAOYSA-N 2 1 232.371 2.217 20 0 BEADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1cscn1 ZINC000650718262 410355732 /nfs/dbraw/zinc/35/57/32/410355732.db2.gz FDZDRYFSAGJVAS-UHFFFAOYSA-N 2 1 247.367 2.152 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000650724297 410361062 /nfs/dbraw/zinc/36/10/62/410361062.db2.gz CAEOBYJRJZTMNA-GHMZBOCLSA-N 2 1 232.318 2.091 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000650724297 410361065 /nfs/dbraw/zinc/36/10/65/410361065.db2.gz CAEOBYJRJZTMNA-GHMZBOCLSA-N 2 1 232.318 2.091 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000650741623 410375167 /nfs/dbraw/zinc/37/51/67/410375167.db2.gz HXYOSUBILFYIRO-WUHRBBMRSA-N 2 1 224.392 2.399 20 0 BEADMP CN(C[C@@H]1CCC[N@H+]1C)c1[nH+]ccc2[nH]ccc21 ZINC000664029574 410437893 /nfs/dbraw/zinc/43/78/93/410437893.db2.gz RAXVZCQUTBHRDF-NSHDSACASA-N 2 1 244.342 2.093 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000665297885 410824712 /nfs/dbraw/zinc/82/47/12/410824712.db2.gz NKUWJERLURFHND-TUAOUCFPSA-N 2 1 216.344 2.102 20 0 BEADMP CC(C)CC[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000020122870 166892386 /nfs/dbraw/zinc/89/23/86/166892386.db2.gz KGDPATXSYDDSFF-GFCCVEGCSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000125208792 167113362 /nfs/dbraw/zinc/11/33/62/167113362.db2.gz KFCFKSDHARFPLN-CYBMUJFWSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)OCCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000341277153 167207567 /nfs/dbraw/zinc/20/75/67/167207567.db2.gz KFIIORXNPSJKSN-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000037742882 167292302 /nfs/dbraw/zinc/29/23/02/167292302.db2.gz RDADMNIYJZRZCQ-UHFFFAOYSA-N 2 1 248.370 2.397 20 0 BEADMP CC(C)Oc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000050245497 167294344 /nfs/dbraw/zinc/29/43/44/167294344.db2.gz GYOZIXQGBIVTMI-AWEZNQCLSA-N 2 1 248.370 2.254 20 0 BEADMP CC(C)SCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000309223827 167329844 /nfs/dbraw/zinc/32/98/44/167329844.db2.gz RITBMDUBBOKDBF-YHWZYXNKSA-N 2 1 242.432 2.343 20 0 BEADMP CC(C)SCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336685113 167331541 /nfs/dbraw/zinc/33/15/41/167331541.db2.gz KNZAKNAAAHXDGF-VXGBXAGGSA-N 2 1 230.421 2.200 20 0 BEADMP CC(C)SCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336685107 167334018 /nfs/dbraw/zinc/33/40/18/167334018.db2.gz KNZAKNAAAHXDGF-NEPJUHHUSA-N 2 1 230.421 2.200 20 0 BEADMP CC(C)[C@@H](C[NH2+][C@H](C)C1CC1)[NH+]1CCCC1 ZINC000020200771 167399120 /nfs/dbraw/zinc/39/91/20/167399120.db2.gz JYHOCBNIJKQDRF-TZMCWYRMSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CSC[C@@H]1C ZINC000651865232 411148157 /nfs/dbraw/zinc/14/81/57/411148157.db2.gz RDKCXAAOHKVTSR-STQMWFEESA-N 2 1 244.448 2.305 20 0 BEADMP [NH3+]CCC[N@H+]1CCC[C@H]1CC1CCCC1 ZINC000655948836 411161126 /nfs/dbraw/zinc/16/11/26/411161126.db2.gz FRDLYCVHWGLLMY-ZDUSSCGKSA-N 2 1 210.365 2.380 20 0 BEADMP CC[C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000652221211 411175609 /nfs/dbraw/zinc/17/56/09/411175609.db2.gz SZNJJQUVCVTSHM-GFCCVEGCSA-N 2 1 200.370 2.352 20 0 BEADMP c1cc2c(c(C[NH2+]CCC[NH+]3CCC3)c1)CCC2 ZINC000655754233 411184102 /nfs/dbraw/zinc/18/41/02/411184102.db2.gz NSXMFTYSCHDFHW-UHFFFAOYSA-N 2 1 244.382 2.361 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C2(C3CCC3)CC2)CC[N@@H+]1C ZINC000652272818 411185313 /nfs/dbraw/zinc/18/53/13/411185313.db2.gz WVHGSLJDLUEMQR-WCQYABFASA-N 2 1 222.376 2.391 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C2(C3CCC3)CC2)CC[N@H+]1C ZINC000652272818 411185314 /nfs/dbraw/zinc/18/53/14/411185314.db2.gz WVHGSLJDLUEMQR-WCQYABFASA-N 2 1 222.376 2.391 20 0 BEADMP Cn1c[nH+]cc1CCC[NH+]1CCC(C2CC2)CC1 ZINC000653694413 411185491 /nfs/dbraw/zinc/18/54/91/411185491.db2.gz DMLSSTKRCPKEMZ-UHFFFAOYSA-N 2 1 247.386 2.475 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2(C3CCC3)CC2)CC[N@@H+]1C ZINC000652272817 411185800 /nfs/dbraw/zinc/18/58/00/411185800.db2.gz WVHGSLJDLUEMQR-DGCLKSJQSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2(C3CCC3)CC2)CC[N@H+]1C ZINC000652272817 411185802 /nfs/dbraw/zinc/18/58/02/411185802.db2.gz WVHGSLJDLUEMQR-DGCLKSJQSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)C(C)(C)C(F)F ZINC000657980336 411186696 /nfs/dbraw/zinc/18/66/96/411186696.db2.gz BMZRDVRQSBFOJR-SECBINFHSA-N 2 1 245.317 2.232 20 0 BEADMP COC[C@H](CC(C)(C)C)[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000656193608 411199374 /nfs/dbraw/zinc/19/93/74/411199374.db2.gz OUJPFMCUQFYSSD-XQQFMLRXSA-N 2 1 242.407 2.025 20 0 BEADMP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC000656193605 411200097 /nfs/dbraw/zinc/20/00/97/411200097.db2.gz OUJPFMCUQFYSSD-AGIUHOORSA-N 2 1 242.407 2.025 20 0 BEADMP COC[C@H](CC(C)(C)C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000656202122 411206104 /nfs/dbraw/zinc/20/61/04/411206104.db2.gz ZAWLJRYSQIOZLI-AVGNSLFASA-N 2 1 242.407 2.168 20 0 BEADMP CCc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)nc(C)[nH+]1 ZINC000656211245 411210558 /nfs/dbraw/zinc/21/05/58/411210558.db2.gz AENZLKDRJSCDRC-BJHJDKERSA-N 2 1 248.374 2.100 20 0 BEADMP COCCCCC[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652355024 411214924 /nfs/dbraw/zinc/21/49/24/411214924.db2.gz MYTHCFBWJZHZNO-UONOGXRCSA-N 2 1 242.407 2.252 20 0 BEADMP Cc1c[nH+]ccc1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656226292 411215858 /nfs/dbraw/zinc/21/58/58/411215858.db2.gz LPYMHMQMSGUQNE-HUUCEWRRSA-N 2 1 245.370 2.241 20 0 BEADMP CCCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652360347 411218023 /nfs/dbraw/zinc/21/80/23/411218023.db2.gz FXFKFCJNKNJLMK-MCIONIFRSA-N 2 1 240.391 2.147 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)SC2)CC1 ZINC000655683618 411225043 /nfs/dbraw/zinc/22/50/43/411225043.db2.gz SOHHAIROGUUEDK-DGCLKSJQSA-N 2 1 242.432 2.344 20 0 BEADMP C[NH2+]CCC[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000423202856 411237518 /nfs/dbraw/zinc/23/75/18/411237518.db2.gz RMTZANWVIWHNMW-ZDUSSCGKSA-N 2 1 239.338 2.117 20 0 BEADMP CCC[N@@H+](CC)CCCC1CC[NH2+]CC1 ZINC000050952558 411269441 /nfs/dbraw/zinc/26/94/41/411269441.db2.gz JGXPRSVABXIUMG-UHFFFAOYSA-N 2 1 212.381 2.498 20 0 BEADMP C[C@H]1c2ccccc2C[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000658164797 411277510 /nfs/dbraw/zinc/27/75/10/411277510.db2.gz HKBCVLBPEOJXPJ-BLLLJJGKSA-N 2 1 244.382 2.399 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCCOC(C)(C)C)CC[N@H+]1C ZINC000658188031 411284228 /nfs/dbraw/zinc/28/42/28/411284228.db2.gz ZDCDYYZCBAKYGS-CHWSQXEVSA-N 2 1 242.407 2.264 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)F)[C@@H](C)C1 ZINC000658193404 411288192 /nfs/dbraw/zinc/28/81/92/411288192.db2.gz UNMRRPBMMIOHCU-NWDGAFQWSA-N 2 1 230.371 2.445 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CCC(C)(C)F)CC[N@H+]1C ZINC000658193780 411288271 /nfs/dbraw/zinc/28/82/71/411288271.db2.gz YONYOEUHWPJUGN-WDEREUQCSA-N 2 1 216.344 2.197 20 0 BEADMP CCC[C@H](C)C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000309854016 411295259 /nfs/dbraw/zinc/29/52/59/411295259.db2.gz ZKLFNKJAHLBFPE-RWMBFGLXSA-N 2 1 210.365 2.106 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000309854016 411295261 /nfs/dbraw/zinc/29/52/61/411295261.db2.gz ZKLFNKJAHLBFPE-RWMBFGLXSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1C ZINC000162105349 411295586 /nfs/dbraw/zinc/29/55/86/411295586.db2.gz SGDMAKGQBOMFMI-LBPRGKRZSA-N 2 1 221.348 2.456 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1C ZINC000162105349 411295587 /nfs/dbraw/zinc/29/55/87/411295587.db2.gz SGDMAKGQBOMFMI-LBPRGKRZSA-N 2 1 221.348 2.456 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CC2(F)F)[C@H](C)C1 ZINC000658220091 411299668 /nfs/dbraw/zinc/29/96/68/411299668.db2.gz OXOSJYMRQCLCQR-GRYCIOLGSA-N 2 1 246.345 2.352 20 0 BEADMP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)O1 ZINC000658220354 411299824 /nfs/dbraw/zinc/29/98/24/411299824.db2.gz PTSPCOZABSFFQI-YIYPIFLZSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@H](c1ccccn1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000310967340 411302493 /nfs/dbraw/zinc/30/24/93/411302493.db2.gz HORZNFLBPSRGMN-IPYPFGDCSA-N 2 1 245.370 2.203 20 0 BEADMP Cc1cccc(CC[NH2+][C@H]2C[NH2+]C[C@@H](C)C2)c1 ZINC000401787903 411330891 /nfs/dbraw/zinc/33/08/91/411330891.db2.gz VAKFFKVLVRYKIM-DZGCQCFKSA-N 2 1 232.371 2.125 20 0 BEADMP [NH3+]CC12CC(C1)CN2c1cc[nH+]c2ccsc21 ZINC000656610821 411308751 /nfs/dbraw/zinc/30/87/51/411308751.db2.gz LDRPWQTVNXERKP-UHFFFAOYSA-N 2 1 245.351 2.224 20 0 BEADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC000660616372 411355931 /nfs/dbraw/zinc/35/59/31/411355931.db2.gz KNASTAGBDUKUFA-XGUBFFRZSA-N 2 1 234.387 2.060 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC000660616372 411355936 /nfs/dbraw/zinc/35/59/36/411355936.db2.gz KNASTAGBDUKUFA-XGUBFFRZSA-N 2 1 234.387 2.060 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC000660616372 411355941 /nfs/dbraw/zinc/35/59/41/411355941.db2.gz KNASTAGBDUKUFA-XGUBFFRZSA-N 2 1 234.387 2.060 20 0 BEADMP C[N@H+](Cc1cccc2cnccc21)CC(C)(C)[NH3+] ZINC000656785299 411358923 /nfs/dbraw/zinc/35/89/23/411358923.db2.gz NBQOUUJRFCVIQC-UHFFFAOYSA-N 2 1 243.354 2.404 20 0 BEADMP C[N@@H+](Cc1cccc2cnccc21)CC(C)(C)[NH3+] ZINC000656785299 411358925 /nfs/dbraw/zinc/35/89/25/411358925.db2.gz NBQOUUJRFCVIQC-UHFFFAOYSA-N 2 1 243.354 2.404 20 0 BEADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccn1 ZINC000314196473 411373235 /nfs/dbraw/zinc/37/32/35/411373235.db2.gz RYXJVBZCBZRPQE-GFCCVEGCSA-N 2 1 244.342 2.099 20 0 BEADMP Cc1cccc(C[N@@H+](C)CC(C)(C)[NH3+])c1C ZINC000656782379 411359800 /nfs/dbraw/zinc/35/98/00/411359800.db2.gz FOAIAGGHQCFKIR-UHFFFAOYSA-N 2 1 220.360 2.473 20 0 BEADMP Cc1cccc(C[N@H+](C)CC(C)(C)[NH3+])c1C ZINC000656782379 411359801 /nfs/dbraw/zinc/35/98/01/411359801.db2.gz FOAIAGGHQCFKIR-UHFFFAOYSA-N 2 1 220.360 2.473 20 0 BEADMP C[N@H+](Cc1ccnc2ccccc12)CC(C)(C)[NH3+] ZINC000656782732 411359813 /nfs/dbraw/zinc/35/98/13/411359813.db2.gz JFMRJDBONCQHEZ-UHFFFAOYSA-N 2 1 243.354 2.404 20 0 BEADMP C[N@@H+](Cc1ccnc2ccccc12)CC(C)(C)[NH3+] ZINC000656782732 411359817 /nfs/dbraw/zinc/35/98/17/411359817.db2.gz JFMRJDBONCQHEZ-UHFFFAOYSA-N 2 1 243.354 2.404 20 0 BEADMP C(C1CC1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784731 411360958 /nfs/dbraw/zinc/36/09/58/411360958.db2.gz GNDWHVUYALPZFZ-CQSZACIVSA-N 2 1 222.376 2.108 20 0 BEADMP CC[C@H]1C[N@@H+](Cc2ccc(OC)cc2)CC[C@@H]1[NH3+] ZINC000130728889 411361029 /nfs/dbraw/zinc/36/10/29/411361029.db2.gz MLFBPYQMOPIRBW-ZFWWWQNUSA-N 2 1 248.370 2.254 20 0 BEADMP Cc1ccc2c(c1)C[N@H+](C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000656787374 411365632 /nfs/dbraw/zinc/36/56/32/411365632.db2.gz JRMNPHCDQRAALW-INIZCTEOSA-N 2 1 244.382 2.353 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)C(C)(C)C ZINC000304503591 411368963 /nfs/dbraw/zinc/36/89/63/411368963.db2.gz IUPANPHFWVSSRW-GXTWGEPZSA-N 2 1 224.392 2.354 20 0 BEADMP [NH3+]CCC[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000656790634 411370641 /nfs/dbraw/zinc/37/06/41/411370641.db2.gz FQLXAUVCVXEVES-CYBMUJFWSA-N 2 1 210.365 2.237 20 0 BEADMP C[C@]1(C[N@H+]2CCC[C@@H](CCF)C2)CC[NH2+]C1 ZINC000656792232 411371860 /nfs/dbraw/zinc/37/18/60/411371860.db2.gz PUHYGXMZPWHWJN-STQMWFEESA-N 2 1 228.355 2.058 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC=C(C)C1 ZINC000280956781 168097732 /nfs/dbraw/zinc/09/77/32/168097732.db2.gz YGINDKCSPUJUCE-UHFFFAOYSA-N 2 1 219.332 2.234 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC=C(C)C1 ZINC000280956781 168097735 /nfs/dbraw/zinc/09/77/35/168097735.db2.gz YGINDKCSPUJUCE-UHFFFAOYSA-N 2 1 219.332 2.234 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CC=C(C)CC1 ZINC000270611437 168110641 /nfs/dbraw/zinc/11/06/41/168110641.db2.gz IGADCJCFZGHCOS-UHFFFAOYSA-N 2 1 219.332 2.234 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC=C(C)CC1 ZINC000270611437 168110643 /nfs/dbraw/zinc/11/06/43/168110643.db2.gz IGADCJCFZGHCOS-UHFFFAOYSA-N 2 1 219.332 2.234 20 0 BEADMP CC1=CC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000285274557 168120776 /nfs/dbraw/zinc/12/07/76/168120776.db2.gz QZKKOIMNEFLQOR-AWEZNQCLSA-N 2 1 220.360 2.337 20 0 BEADMP CC1CCC([N@@H+](C)C[C@H]2CC[NH2+]C2)CC1 ZINC000051889638 168159372 /nfs/dbraw/zinc/15/93/72/168159372.db2.gz GQENONUDWHNNHU-CPCZMJQVSA-N 2 1 210.365 2.106 20 0 BEADMP COC(C)(C)C[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000404308172 411390324 /nfs/dbraw/zinc/39/03/24/411390324.db2.gz LMQLNKATSKVDNJ-UHFFFAOYSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@@H]1CCC[N@@H+](Cc2cncs2)[C@@H]1CC[NH3+] ZINC000404277097 411387854 /nfs/dbraw/zinc/38/78/54/411387854.db2.gz BEPXJVMDIFBRJT-ZYHUDNBSSA-N 2 1 239.388 2.092 20 0 BEADMP CC(C)COCC[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404406131 411394338 /nfs/dbraw/zinc/39/43/38/411394338.db2.gz UZLWCNFQDNEXNM-UONOGXRCSA-N 2 1 242.407 2.108 20 0 BEADMP Cc1ccncc1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404410474 411394862 /nfs/dbraw/zinc/39/48/62/411394862.db2.gz CESGPANJFKOMOZ-DZGCQCFKSA-N 2 1 247.386 2.339 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414831447 411449559 /nfs/dbraw/zinc/44/95/59/411449559.db2.gz PKIIEYKZNITVCL-ZIAGYGMSSA-N 2 1 236.334 2.271 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccccc1Cl ZINC000414831380 411449857 /nfs/dbraw/zinc/44/98/57/411449857.db2.gz DBOFOYZGNQYAQT-JTQLQIEISA-N 2 1 226.751 2.285 20 0 BEADMP CC[N@@H+](CCCC1CC[NH2+]CC1)CC1CC1 ZINC000068947650 411476433 /nfs/dbraw/zinc/47/64/33/411476433.db2.gz PAMPWWGJBZTQSB-UHFFFAOYSA-N 2 1 224.392 2.498 20 0 BEADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H](C)C(C)C ZINC000659858237 411480518 /nfs/dbraw/zinc/48/05/18/411480518.db2.gz WAPHEKKIELVHOZ-KGLIPLIRSA-N 2 1 244.423 2.054 20 0 BEADMP CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@H](C)C(C)C ZINC000659858237 411480521 /nfs/dbraw/zinc/48/05/21/411480521.db2.gz WAPHEKKIELVHOZ-KGLIPLIRSA-N 2 1 244.423 2.054 20 0 BEADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@H](C)C(C)C ZINC000659858237 411480523 /nfs/dbraw/zinc/48/05/23/411480523.db2.gz WAPHEKKIELVHOZ-KGLIPLIRSA-N 2 1 244.423 2.054 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)Cc2ccccn2)CC1 ZINC000655839008 411533570 /nfs/dbraw/zinc/53/35/70/411533570.db2.gz RUNDFSXYVJNYPQ-CYBMUJFWSA-N 2 1 247.386 2.087 20 0 BEADMP CC(C)Oc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000415011675 411488091 /nfs/dbraw/zinc/48/80/91/411488091.db2.gz RFTWNRKVEVYCFG-NWDGAFQWSA-N 2 1 236.359 2.299 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000659929028 411502425 /nfs/dbraw/zinc/50/24/25/411502425.db2.gz WIUBLJJAGMIQEW-CBBWQLFWSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000655836748 411531911 /nfs/dbraw/zinc/53/19/11/411531911.db2.gz NXLOXLSDMFTHBI-UMVBOHGHSA-N 2 1 247.386 2.085 20 0 BEADMP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000655836748 411531913 /nfs/dbraw/zinc/53/19/13/411531913.db2.gz NXLOXLSDMFTHBI-UMVBOHGHSA-N 2 1 247.386 2.085 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC000037731404 170008560 /nfs/dbraw/zinc/00/85/60/170008560.db2.gz IPLYMIOKLANOGR-LBPRGKRZSA-N 2 1 212.381 2.354 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCOC)C[C@@H]1C ZINC000336718077 170008915 /nfs/dbraw/zinc/00/89/15/170008915.db2.gz ZPSYWRFCHCFCJP-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCOC)C[C@@H]1C ZINC000336718077 170008917 /nfs/dbraw/zinc/00/89/17/170008917.db2.gz ZPSYWRFCHCFCJP-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCOC)C[C@@H]1C ZINC000336718077 170008918 /nfs/dbraw/zinc/00/89/18/170008918.db2.gz ZPSYWRFCHCFCJP-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccn(C)c2)C[C@H]1C ZINC000353749687 170009800 /nfs/dbraw/zinc/00/98/00/170009800.db2.gz GDLHEZBBLIOXFH-UKRRQHHQSA-N 2 1 249.402 2.330 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccn(C)c2)C[C@H]1C ZINC000353749687 170009802 /nfs/dbraw/zinc/00/98/02/170009802.db2.gz GDLHEZBBLIOXFH-UKRRQHHQSA-N 2 1 249.402 2.330 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccn(C)c2)C[C@H]1C ZINC000353749687 170009804 /nfs/dbraw/zinc/00/98/04/170009804.db2.gz GDLHEZBBLIOXFH-UKRRQHHQSA-N 2 1 249.402 2.330 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccn(C)c2)C[C@H]1C ZINC000353749687 170009805 /nfs/dbraw/zinc/00/98/05/170009805.db2.gz GDLHEZBBLIOXFH-UKRRQHHQSA-N 2 1 249.402 2.330 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(F)(F)F)[C@H](C)C1 ZINC000122755962 170012707 /nfs/dbraw/zinc/01/27/07/170012707.db2.gz YUTKJCWMDZNYID-NXEZZACHSA-N 2 1 238.297 2.259 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C)CC2)[C@H](C)C1 ZINC000309054341 170012723 /nfs/dbraw/zinc/01/27/23/170012723.db2.gz SSWVVRAKGVDXIG-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C)s2)C1 ZINC000037484276 170015956 /nfs/dbraw/zinc/01/59/56/170015956.db2.gz KOGRKLCIVMRCDU-GFCCVEGCSA-N 2 1 238.400 2.488 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CCOC(C)C)C[C@@H]1C ZINC000336689341 170019525 /nfs/dbraw/zinc/01/95/25/170019525.db2.gz HMLXROQIFOBNGX-KBPBESRZSA-N 2 1 242.407 2.216 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CCOC(C)C)C[C@@H]1C ZINC000336689341 170019526 /nfs/dbraw/zinc/01/95/26/170019526.db2.gz HMLXROQIFOBNGX-KBPBESRZSA-N 2 1 242.407 2.216 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOC(C)C)C[C@@H]1C ZINC000336689341 170019527 /nfs/dbraw/zinc/01/95/27/170019527.db2.gz HMLXROQIFOBNGX-KBPBESRZSA-N 2 1 242.407 2.216 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCC(F)(F)F)[C@H](C)C1 ZINC000122755735 170020291 /nfs/dbraw/zinc/02/02/91/170020291.db2.gz YUTKJCWMDZNYID-ZJUUUORDSA-N 2 1 238.297 2.259 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCC2(C)CC2)[C@H](C)C1 ZINC000309465820 170020440 /nfs/dbraw/zinc/02/04/40/170020440.db2.gz PGMQVWHAKVLQAX-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)C2)[C@@H](C)C1 ZINC000309620835 170022995 /nfs/dbraw/zinc/02/29/95/170022995.db2.gz FFNHLSVBHCUBBS-FQUUOJAGSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H]1C[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)CO1 ZINC000657501638 411538060 /nfs/dbraw/zinc/53/80/60/411538060.db2.gz YQWCUPIWVUDQML-KGLIPLIRSA-N 2 1 242.407 2.121 20 0 BEADMP CC[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000053294465 170131442 /nfs/dbraw/zinc/13/14/42/170131442.db2.gz PLOPIFUCYXMMCE-UHFFFAOYSA-N 2 1 239.388 2.019 20 0 BEADMP CC[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000053294465 170131443 /nfs/dbraw/zinc/13/14/43/170131443.db2.gz PLOPIFUCYXMMCE-UHFFFAOYSA-N 2 1 239.388 2.019 20 0 BEADMP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)[C@H]2C1 ZINC000660225448 411556010 /nfs/dbraw/zinc/55/60/10/411556010.db2.gz PTGLZBRJTBGKPI-QMIVOQANSA-N 2 1 234.387 2.059 20 0 BEADMP C[N@H+]1CC[C@@H]2CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)[C@H]2C1 ZINC000660225448 411556011 /nfs/dbraw/zinc/55/60/11/411556011.db2.gz PTGLZBRJTBGKPI-QMIVOQANSA-N 2 1 234.387 2.059 20 0 BEADMP C[NH+]1CC[C@@H]2CC[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)[C@H]2C1 ZINC000660225448 411556013 /nfs/dbraw/zinc/55/60/13/411556013.db2.gz PTGLZBRJTBGKPI-QMIVOQANSA-N 2 1 234.387 2.059 20 0 BEADMP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)[C@H]2C1 ZINC000660225448 411556014 /nfs/dbraw/zinc/55/60/14/411556014.db2.gz PTGLZBRJTBGKPI-QMIVOQANSA-N 2 1 234.387 2.059 20 0 BEADMP CCOCCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000336707748 170370247 /nfs/dbraw/zinc/37/02/47/170370247.db2.gz HYBIOIAXSRUMFK-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP CCOCCC[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000336707748 170370248 /nfs/dbraw/zinc/37/02/48/170370248.db2.gz HYBIOIAXSRUMFK-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP CCOCCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000336707748 170370251 /nfs/dbraw/zinc/37/02/51/170370251.db2.gz HYBIOIAXSRUMFK-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP CC(C)(F)CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657645275 411568782 /nfs/dbraw/zinc/56/87/82/411568782.db2.gz QEINEHCLXSVVHO-RYUDHWBXSA-N 2 1 228.355 2.341 20 0 BEADMP c1coc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663347637 411633826 /nfs/dbraw/zinc/63/38/26/411633826.db2.gz QZELJKJHTWRTBE-CQSZACIVSA-N 2 1 248.370 2.491 20 0 BEADMP c1coc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347637 411633830 /nfs/dbraw/zinc/63/38/30/411633830.db2.gz QZELJKJHTWRTBE-CQSZACIVSA-N 2 1 248.370 2.491 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2CCCC23CC3)CC1 ZINC000657824894 411607655 /nfs/dbraw/zinc/60/76/55/411607655.db2.gz WSRXUPXHAMROQT-GFCCVEGCSA-N 2 1 208.349 2.003 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657841047 411610084 /nfs/dbraw/zinc/61/00/84/411610084.db2.gz MKMJRRIXNLRDCR-NSHDSACASA-N 2 1 246.345 2.006 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)CS1 ZINC000131962465 411704527 /nfs/dbraw/zinc/70/45/27/411704527.db2.gz HRZXFLFATLRAEO-VXGBXAGGSA-N 2 1 242.432 2.344 20 0 BEADMP c1cc2c(cc[nH+]c2N[C@H]2CC[N@H+](C3CC3)C2)[nH]1 ZINC000663424983 411655162 /nfs/dbraw/zinc/65/51/62/411655162.db2.gz MZNMKMKRVYMFJN-JTQLQIEISA-N 2 1 242.326 2.212 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+]C1CCC(C(C)C)CC1 ZINC000663508522 411689952 /nfs/dbraw/zinc/68/99/52/411689952.db2.gz CCKJRYMSBFYDQD-HIFPTAJRSA-N 2 1 212.381 2.399 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000663509802 411692076 /nfs/dbraw/zinc/69/20/76/411692076.db2.gz AOCGXKIYWJRXJF-NWDGAFQWSA-N 2 1 238.350 2.344 20 0 BEADMP CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C[NH2+]C ZINC000663513140 411695538 /nfs/dbraw/zinc/69/55/38/411695538.db2.gz ISLRJOBPCBXPTR-OCCSQVGLSA-N 2 1 220.360 2.205 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000663514157 411695962 /nfs/dbraw/zinc/69/59/62/411695962.db2.gz NQQGLUZISGARKQ-IUCAKERBSA-N 2 1 226.286 2.305 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000663514815 411696650 /nfs/dbraw/zinc/69/66/50/411696650.db2.gz UCWANNFJHAWARG-TVQRCGJNSA-N 2 1 238.762 2.005 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CCc1ccsc1 ZINC000663514979 411697485 /nfs/dbraw/zinc/69/74/85/411697485.db2.gz XKENRVIVYYRBML-WDEREUQCSA-N 2 1 226.389 2.267 20 0 BEADMP CCC(C)(C)[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000661231554 411737687 /nfs/dbraw/zinc/73/76/87/411737687.db2.gz NXAZCLHHNYMOSO-STQMWFEESA-N 2 1 244.423 2.102 20 0 BEADMP CC[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000167307453 170752687 /nfs/dbraw/zinc/75/26/87/170752687.db2.gz DMQWULWDXFDCLB-WDEREUQCSA-N 2 1 209.337 2.216 20 0 BEADMP CC[C@@H]([NH2+]CCCc1c[nH+]cn1C)C1CC1 ZINC000314916787 411895255 /nfs/dbraw/zinc/89/52/55/411895255.db2.gz OYLJDSIFHGKYEF-CYBMUJFWSA-N 2 1 221.348 2.131 20 0 BEADMP Cc1c[nH+]ccc1NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000664142380 411870250 /nfs/dbraw/zinc/87/02/50/411870250.db2.gz JHBRCGLKHSDDDQ-GFCCVEGCSA-N 2 1 233.359 2.097 20 0 BEADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCc1ccncc1 ZINC000662174874 412019555 /nfs/dbraw/zinc/01/95/55/412019555.db2.gz OIPZXDUHYIODGK-UHFFFAOYSA-N 2 1 249.402 2.334 20 0 BEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCc1ccncc1 ZINC000662174874 412019558 /nfs/dbraw/zinc/01/95/58/412019558.db2.gz OIPZXDUHYIODGK-UHFFFAOYSA-N 2 1 249.402 2.334 20 0 BEADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCCCF ZINC000662176571 412018563 /nfs/dbraw/zinc/01/85/63/412018563.db2.gz CLQORSKBHNNRCL-UHFFFAOYSA-N 2 1 218.360 2.446 20 0 BEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCCCF ZINC000662176571 412018567 /nfs/dbraw/zinc/01/85/67/412018567.db2.gz CLQORSKBHNNRCL-UHFFFAOYSA-N 2 1 218.360 2.446 20 0 BEADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+])C1CCC1 ZINC000662236384 412035313 /nfs/dbraw/zinc/03/53/13/412035313.db2.gz XCHSBDKAPOXROO-IACUBPJLSA-N 2 1 240.391 2.003 20 0 BEADMP CO[C@@H](C[N@@H+]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000662235335 412035644 /nfs/dbraw/zinc/03/56/44/412035644.db2.gz QOFLJDLDHOEXEU-KBPBESRZSA-N 2 1 240.391 2.005 20 0 BEADMP CO[C@@H](C[N@H+]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000662235335 412035647 /nfs/dbraw/zinc/03/56/47/412035647.db2.gz QOFLJDLDHOEXEU-KBPBESRZSA-N 2 1 240.391 2.005 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@@H]1C[NH2+]C ZINC000662243918 412040201 /nfs/dbraw/zinc/04/02/01/412040201.db2.gz GQZGVIFTNRPOIE-GHMZBOCLSA-N 2 1 234.334 2.352 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H]1C[NH2+]C ZINC000662243918 412040204 /nfs/dbraw/zinc/04/02/04/412040204.db2.gz GQZGVIFTNRPOIE-GHMZBOCLSA-N 2 1 234.334 2.352 20 0 BEADMP CC(C)=CCC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000662245761 412043492 /nfs/dbraw/zinc/04/34/92/412043492.db2.gz OKZXUSFQLABCMR-QWHCGFSZSA-N 2 1 210.365 2.402 20 0 BEADMP CC[NH+](CC)CCC[N@H+](C)CC1=CCSC1 ZINC000662262888 412054937 /nfs/dbraw/zinc/05/49/37/412054937.db2.gz FAYROEFQTDMYSE-UHFFFAOYSA-N 2 1 242.432 2.323 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](C)CC1=CCSC1 ZINC000662262888 412054939 /nfs/dbraw/zinc/05/49/39/412054939.db2.gz FAYROEFQTDMYSE-UHFFFAOYSA-N 2 1 242.432 2.323 20 0 BEADMP CC[C@H]1C[N@H+](Cc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000134102339 412057879 /nfs/dbraw/zinc/05/78/79/412057879.db2.gz RKFYXIDMEKSQCE-JSGCOSHPSA-N 2 1 236.334 2.385 20 0 BEADMP CC[C@H]1C[N@@H+](Cc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000134102339 412057883 /nfs/dbraw/zinc/05/78/83/412057883.db2.gz RKFYXIDMEKSQCE-JSGCOSHPSA-N 2 1 236.334 2.385 20 0 BEADMP CC[C@H]1C[N@H+](Cc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000134095201 412057939 /nfs/dbraw/zinc/05/79/39/412057939.db2.gz YIAUZRJWTRBGOQ-JSGCOSHPSA-N 2 1 236.334 2.385 20 0 BEADMP CC[C@H]1C[N@@H+](Cc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000134095201 412057941 /nfs/dbraw/zinc/05/79/41/412057941.db2.gz YIAUZRJWTRBGOQ-JSGCOSHPSA-N 2 1 236.334 2.385 20 0 BEADMP CC[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000251555179 171011994 /nfs/dbraw/zinc/01/19/94/171011994.db2.gz BHADWANLCZZVIL-CHWSQXEVSA-N 2 1 210.365 2.108 20 0 BEADMP CC[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000108324261 171012951 /nfs/dbraw/zinc/01/29/51/171012951.db2.gz BHADWANLCZZVIL-OLZOCXBDSA-N 2 1 210.365 2.108 20 0 BEADMP CC[C@@H]1C[N@H+](CCC[NH+](CC)CC)CCCO1 ZINC000338348168 171081604 /nfs/dbraw/zinc/08/16/04/171081604.db2.gz MKTWIVZBCJAXDO-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP CC[C@@H]1C[N@@H+](CCC[NH+](CC)CC)CCCO1 ZINC000338348168 171081607 /nfs/dbraw/zinc/08/16/07/171081607.db2.gz MKTWIVZBCJAXDO-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP CO[C@H](C[N@H+](C)C1(C[NH3+])CCC1)C1CCCC1 ZINC000662274379 412065977 /nfs/dbraw/zinc/06/59/77/412065977.db2.gz SRZKEFVHQRPLJG-CYBMUJFWSA-N 2 1 240.391 2.005 20 0 BEADMP CO[C@H](C[N@@H+](C)C1(C[NH3+])CCC1)C1CCCC1 ZINC000662274379 412065983 /nfs/dbraw/zinc/06/59/83/412065983.db2.gz SRZKEFVHQRPLJG-CYBMUJFWSA-N 2 1 240.391 2.005 20 0 BEADMP CC(C)=CCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000662275832 412067335 /nfs/dbraw/zinc/06/73/35/412067335.db2.gz FBJBXYJQKHTBOL-RWMBFGLXSA-N 2 1 210.365 2.319 20 0 BEADMP CCC(CC)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000662278010 412071730 /nfs/dbraw/zinc/07/17/30/412071730.db2.gz UTMUJWPHBISWJM-DMDPSCGWSA-N 2 1 212.381 2.399 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000662274743 412068226 /nfs/dbraw/zinc/06/82/26/412068226.db2.gz WPSLGAKCNXRNBY-STQMWFEESA-N 2 1 208.349 2.027 20 0 BEADMP C(CC1CCC1)C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000662276677 412069422 /nfs/dbraw/zinc/06/94/22/412069422.db2.gz OIXUGDGQTKZLAO-KBPBESRZSA-N 2 1 222.376 2.251 20 0 BEADMP C(CC1CCC1)C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000662276677 412069424 /nfs/dbraw/zinc/06/94/24/412069424.db2.gz OIXUGDGQTKZLAO-KBPBESRZSA-N 2 1 222.376 2.251 20 0 BEADMP CC[C@@H](CC(F)F)C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000662276274 412069469 /nfs/dbraw/zinc/06/94/69/412069469.db2.gz INIINUVWMIJLEK-GUBZILKMSA-N 2 1 220.307 2.089 20 0 BEADMP CC[C@@H](CC(F)F)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000662276274 412069472 /nfs/dbraw/zinc/06/94/72/412069472.db2.gz INIINUVWMIJLEK-GUBZILKMSA-N 2 1 220.307 2.089 20 0 BEADMP C(CC1CCC1)C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662276679 412069600 /nfs/dbraw/zinc/06/96/00/412069600.db2.gz OIXUGDGQTKZLAO-KGLIPLIRSA-N 2 1 222.376 2.251 20 0 BEADMP C(CC1CCC1)C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662276679 412069603 /nfs/dbraw/zinc/06/96/03/412069603.db2.gz OIXUGDGQTKZLAO-KGLIPLIRSA-N 2 1 222.376 2.251 20 0 BEADMP c1ccc([C@@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000662282506 412071977 /nfs/dbraw/zinc/07/19/77/412071977.db2.gz AZFZFKFYHOWDPE-GOEBONIOSA-N 2 1 244.382 2.476 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000662282905 412071990 /nfs/dbraw/zinc/07/19/90/412071990.db2.gz DGAUQYCKLCWKPF-GMTAPVOTSA-N 2 1 234.334 2.479 20 0 BEADMP CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000662282245 412072049 /nfs/dbraw/zinc/07/20/49/412072049.db2.gz DVWKUZIRSDJNKM-RBSFLKMASA-N 2 1 248.370 2.234 20 0 BEADMP c1ccc([C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000662282505 412073119 /nfs/dbraw/zinc/07/31/19/412073119.db2.gz AZFZFKFYHOWDPE-GDBMZVCRSA-N 2 1 244.382 2.476 20 0 BEADMP CC[N@H+](Cc1ccc(C)cc1)C[C@H]1CC[NH2+]C1 ZINC000662304067 412088739 /nfs/dbraw/zinc/08/87/39/412088739.db2.gz FAPGJGHAOHAYOF-HNNXBMFYSA-N 2 1 232.371 2.426 20 0 BEADMP CC[N@@H+](Cc1ccc(C)cc1)C[C@H](C)[NH3+] ZINC000662304097 412089744 /nfs/dbraw/zinc/08/97/44/412089744.db2.gz FJVIMSHKSDFPQV-LBPRGKRZSA-N 2 1 206.333 2.164 20 0 BEADMP CC[N@H+](Cc1ccc(C)cc1)C[C@H](C)[NH3+] ZINC000662304097 412089747 /nfs/dbraw/zinc/08/97/47/412089747.db2.gz FJVIMSHKSDFPQV-LBPRGKRZSA-N 2 1 206.333 2.164 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662306334 412090188 /nfs/dbraw/zinc/09/01/88/412090188.db2.gz QOOCJWUIEMKLCJ-HIFPTAJRSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662306309 412090773 /nfs/dbraw/zinc/09/07/73/412090773.db2.gz QEZUUWLVEZLVRM-NELGMTEASA-N 2 1 222.376 2.236 20 0 BEADMP COCCCC[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312505 412093780 /nfs/dbraw/zinc/09/37/80/412093780.db2.gz GYTRWDWOSXKPAE-ZIAGYGMSSA-N 2 1 242.407 2.252 20 0 BEADMP CCC(CC)CCC[N@@H+](C)CCC[NH3+] ZINC000662315755 412096473 /nfs/dbraw/zinc/09/64/73/412096473.db2.gz HFKJKSRQXKRDKR-UHFFFAOYSA-N 2 1 200.370 2.483 20 0 BEADMP CCC(CC)CCC[N@@H+](C)C[C@](C)(O)C[NH2+]C ZINC000662317737 412098066 /nfs/dbraw/zinc/09/80/66/412098066.db2.gz RMJGTMBTRRWDQN-CQSZACIVSA-N 2 1 244.423 2.105 20 0 BEADMP [NH3+]CC[N@@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000662320265 412099756 /nfs/dbraw/zinc/09/97/56/412099756.db2.gz ARZYMWQYNJRBPY-ZDUSSCGKSA-N 2 1 210.365 2.237 20 0 BEADMP [NH3+]CC[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000662320265 412099760 /nfs/dbraw/zinc/09/97/60/412099760.db2.gz ARZYMWQYNJRBPY-ZDUSSCGKSA-N 2 1 210.365 2.237 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H]1CC1(C)C ZINC000662343186 412111952 /nfs/dbraw/zinc/11/19/52/412111952.db2.gz IYHOMWKVIPRXHN-LBPRGKRZSA-N 2 1 221.348 2.169 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H]1CC1(C)C ZINC000662343186 412111955 /nfs/dbraw/zinc/11/19/55/412111955.db2.gz IYHOMWKVIPRXHN-LBPRGKRZSA-N 2 1 221.348 2.169 20 0 BEADMP C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)[C@H]1CCCC[NH2+]1 ZINC000665274066 412215640 /nfs/dbraw/zinc/21/56/40/412215640.db2.gz JGGNYLPYFMQJDO-AXFHLTTASA-N 2 1 246.345 2.398 20 0 BEADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3cccnc32)CCCC1 ZINC000665246983 412191270 /nfs/dbraw/zinc/19/12/70/412191270.db2.gz SJOUKXQFDRMZTI-CYBMUJFWSA-N 2 1 245.370 2.320 20 0 BEADMP Cc1cncc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)c1 ZINC000665248052 412192896 /nfs/dbraw/zinc/19/28/96/412192896.db2.gz OCXTYLVTVUGCBE-GFCCVEGCSA-N 2 1 233.359 2.312 20 0 BEADMP Cc1ccncc1[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665248355 412195401 /nfs/dbraw/zinc/19/54/01/412195401.db2.gz VMMHYNVENDGPPX-LBPRGKRZSA-N 2 1 233.359 2.312 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000665263801 412207213 /nfs/dbraw/zinc/20/72/13/412207213.db2.gz UZTDVYADVLTPEW-HTOAHKCRSA-N 2 1 222.376 2.010 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@]1(C)CC1(F)F ZINC000665267071 412209975 /nfs/dbraw/zinc/20/99/75/412209975.db2.gz PDOSMWTVOUIZSH-OUAUKWLOSA-N 2 1 232.318 2.009 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H](C)c1ccccn1)[C@@H]1CCC[NH2+]1 ZINC000665232811 412171805 /nfs/dbraw/zinc/17/18/05/412171805.db2.gz USFCKZPNATYRHG-NFAWXSAZSA-N 2 1 247.386 2.305 20 0 BEADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccco1 ZINC000665279706 412223353 /nfs/dbraw/zinc/22/33/53/412223353.db2.gz KGMJKXLBXZTJDV-GHMZBOCLSA-N 2 1 210.321 2.304 20 0 BEADMP C[C@@H]([NH2+]CCCc1ccco1)[C@@H]1CCCC[NH2+]1 ZINC000665283552 412228856 /nfs/dbraw/zinc/22/88/56/412228856.db2.gz PSOFIRHJWWRSES-OCCSQVGLSA-N 2 1 236.359 2.332 20 0 BEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[NH2+]C)C1(CC)CC ZINC000665295825 412242220 /nfs/dbraw/zinc/24/22/20/412242220.db2.gz JWURDMTVVOHEFT-RWMBFGLXSA-N 2 1 242.407 2.168 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000665295815 412242715 /nfs/dbraw/zinc/24/27/15/412242715.db2.gz JSOVSBXYIQMDGE-YNEHKIRRSA-N 2 1 242.407 2.024 20 0 BEADMP CCCC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C[NH2+]C ZINC000665298325 412246053 /nfs/dbraw/zinc/24/60/53/412246053.db2.gz UWDGMWCUQCGJMZ-SDDRHHMPSA-N 2 1 200.370 2.399 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000665298429 412246550 /nfs/dbraw/zinc/24/65/50/412246550.db2.gz VXONITORHYNHEC-MNOVXSKESA-N 2 1 200.370 2.399 20 0 BEADMP CN(c1cc[nH+]c2ccsc21)[C@@H](C[NH3+])C1CC1 ZINC000663241601 412398961 /nfs/dbraw/zinc/39/89/61/412398961.db2.gz IXLRKYGKHANGFT-LBPRGKRZSA-N 2 1 247.367 2.470 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000050245254 171800966 /nfs/dbraw/zinc/80/09/66/171800966.db2.gz CJOZKHJYPOJMTI-AWEZNQCLSA-N 2 1 218.344 2.030 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC2(CC2)CC1 ZINC000363459912 173028044 /nfs/dbraw/zinc/02/80/44/173028044.db2.gz TYFLMHYZGPZBRW-CYBMUJFWSA-N 2 1 222.376 2.347 20 0 BEADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3CCC3)CC[C@@H]21 ZINC000336585046 173037379 /nfs/dbraw/zinc/03/73/79/173037379.db2.gz BIGZDHSREYJGTI-KGLIPLIRSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3CCC3)CC[C@@H]21 ZINC000336585046 173037380 /nfs/dbraw/zinc/03/73/80/173037380.db2.gz BIGZDHSREYJGTI-KGLIPLIRSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3CCC3)CC[C@@H]21 ZINC000336585046 173037381 /nfs/dbraw/zinc/03/73/81/173037381.db2.gz BIGZDHSREYJGTI-KGLIPLIRSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC2(CC2)CC1 ZINC000363459913 173051937 /nfs/dbraw/zinc/05/19/37/173051937.db2.gz TYFLMHYZGPZBRW-ZDUSSCGKSA-N 2 1 222.376 2.347 20 0 BEADMP C[N@@H+]1CC[C@@H]2CC[NH+](CCC(C)(C)C)[C@H]2C1 ZINC000336625819 173131236 /nfs/dbraw/zinc/13/12/36/173131236.db2.gz FMJHCCSNMZPOIS-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP C[N@H+]1CC[C@@H]2CC[NH+](CCC(C)(C)C)[C@H]2C1 ZINC000336625819 173131239 /nfs/dbraw/zinc/13/12/39/173131239.db2.gz FMJHCCSNMZPOIS-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2CC[N@H+](CCC(C)(C)C)[C@H]2C1 ZINC000336625819 173131242 /nfs/dbraw/zinc/13/12/42/173131242.db2.gz FMJHCCSNMZPOIS-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2CC[N@@H+](CCC(C)(C)C)[C@H]2C1 ZINC000336625819 173131243 /nfs/dbraw/zinc/13/12/43/173131243.db2.gz FMJHCCSNMZPOIS-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@H]3CC=CCC3)[C@H]2C1 ZINC000352929411 173132961 /nfs/dbraw/zinc/13/29/61/173132961.db2.gz GVPMIYGPRGPROQ-ZNMIVQPWSA-N 2 1 234.387 2.369 20 0 BEADMP C[N@H+]1CC[C@@H]2CC[NH+](C[C@H]3CC=CCC3)[C@H]2C1 ZINC000352929411 173132963 /nfs/dbraw/zinc/13/29/63/173132963.db2.gz GVPMIYGPRGPROQ-ZNMIVQPWSA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1CC[C@@H]2CC[N@H+](C[C@H]3CC=CCC3)[C@H]2C1 ZINC000352929411 173132965 /nfs/dbraw/zinc/13/29/65/173132965.db2.gz GVPMIYGPRGPROQ-ZNMIVQPWSA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@H]3CC=CCC3)[C@H]2C1 ZINC000352929411 173132966 /nfs/dbraw/zinc/13/29/66/173132966.db2.gz GVPMIYGPRGPROQ-ZNMIVQPWSA-N 2 1 234.387 2.369 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCCCF)[C@H]2CCC[C@@H]21 ZINC000336763901 173152160 /nfs/dbraw/zinc/15/21/60/173152160.db2.gz MQQDKERDGRPLFF-AGIUHOORSA-N 2 1 228.355 2.199 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC2(C)C)[C@H]2CCC[C@H]21 ZINC000336726550 173153860 /nfs/dbraw/zinc/15/38/60/173153860.db2.gz CCSCJFYWAXFXHA-YVECIDJPSA-N 2 1 222.376 2.247 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccoc2)[C@H]2CCC[C@H]21 ZINC000367527912 173154541 /nfs/dbraw/zinc/15/45/41/173154541.db2.gz UHCYEEHGFMMIJS-HZSPNIEDSA-N 2 1 234.343 2.242 20 0 BEADMP C[N@@H+]1CC[C@H]2CC[NH+](CCC(C)(C)C)[C@H]2C1 ZINC000336625821 173159407 /nfs/dbraw/zinc/15/94/07/173159407.db2.gz FMJHCCSNMZPOIS-STQMWFEESA-N 2 1 224.392 2.449 20 0 BEADMP C[N@H+]1CC[C@H]2CC[NH+](CCC(C)(C)C)[C@H]2C1 ZINC000336625821 173159410 /nfs/dbraw/zinc/15/94/10/173159410.db2.gz FMJHCCSNMZPOIS-STQMWFEESA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+]1CC[C@H]2CC[N@H+](CCC(C)(C)C)[C@H]2C1 ZINC000336625821 173159412 /nfs/dbraw/zinc/15/94/12/173159412.db2.gz FMJHCCSNMZPOIS-STQMWFEESA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+]1CC[C@H]2CC[N@@H+](CCC(C)(C)C)[C@H]2C1 ZINC000336625821 173159413 /nfs/dbraw/zinc/15/94/13/173159413.db2.gz FMJHCCSNMZPOIS-STQMWFEESA-N 2 1 224.392 2.449 20 0 BEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC000054627348 173324520 /nfs/dbraw/zinc/32/45/20/173324520.db2.gz TUNBHHCYUMZQTJ-YHWZYXNKSA-N 2 1 210.365 2.247 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(C)cc1 ZINC000042409428 173346223 /nfs/dbraw/zinc/34/62/23/173346223.db2.gz LGKYUIMNERCVHR-UHFFFAOYSA-N 2 1 206.333 2.036 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@H]1CC(C)(C)C ZINC000309660814 173346874 /nfs/dbraw/zinc/34/68/74/173346874.db2.gz XTBCZAPSJQLURP-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP C[NH2+]CCC[N@@H+]1CCc2sccc2[C@H]1C ZINC000042779742 173347076 /nfs/dbraw/zinc/34/70/76/173347076.db2.gz CLSSTAJCLBVYDL-SNVBAGLBSA-N 2 1 224.373 2.277 20 0 BEADMP C[NH2+]CCC[N@H+]1CCc2sccc2[C@H]1C ZINC000042779742 173347078 /nfs/dbraw/zinc/34/70/78/173347078.db2.gz CLSSTAJCLBVYDL-SNVBAGLBSA-N 2 1 224.373 2.277 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1CC(C)(C)C ZINC000309660813 173347094 /nfs/dbraw/zinc/34/70/94/173347094.db2.gz XTBCZAPSJQLURP-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP C[NH2+]CCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000083357731 173348677 /nfs/dbraw/zinc/34/86/77/173348677.db2.gz BFYGBQNPEZTKCV-UHFFFAOYSA-N 2 1 230.714 2.178 20 0 BEADMP C[NH2+]CCC[NH2+][C@@H](C)c1sc(C)nc1C ZINC000043606513 173349565 /nfs/dbraw/zinc/34/95/65/173349565.db2.gz NXQBWMVQXSJEEE-QMMMGPOBSA-N 2 1 227.377 2.020 20 0 BEADMP C[NH2+]CCC[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000020967686 173350147 /nfs/dbraw/zinc/35/01/47/173350147.db2.gz OTCBPYDZMGQZOA-UHFFFAOYSA-N 2 1 242.750 2.048 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC000011888674 173368237 /nfs/dbraw/zinc/36/82/37/173368237.db2.gz CFKBBMDKVJFXRF-AWEZNQCLSA-N 2 1 232.371 2.426 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000251672432 173370520 /nfs/dbraw/zinc/37/05/20/173370520.db2.gz GNDJYIUWQFTCNE-RDBSUJKOSA-N 2 1 224.392 2.354 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000226635970 173370553 /nfs/dbraw/zinc/37/05/53/173370553.db2.gz ASPAPIKUNPVDNO-RYUDHWBXSA-N 2 1 236.334 2.428 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000226635970 173370554 /nfs/dbraw/zinc/37/05/54/173370554.db2.gz ASPAPIKUNPVDNO-RYUDHWBXSA-N 2 1 236.334 2.428 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c(C)cccc2C)C1 ZINC000130889203 173370800 /nfs/dbraw/zinc/37/08/00/173370800.db2.gz IXLWMDCLZLETNO-AWEZNQCLSA-N 2 1 232.371 2.345 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2OC)C1 ZINC000011888739 173378397 /nfs/dbraw/zinc/37/83/97/173378397.db2.gz YCNYNFXCFMKCGM-CYBMUJFWSA-N 2 1 248.370 2.127 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2OC)C1 ZINC000011888739 173378398 /nfs/dbraw/zinc/37/83/98/173378398.db2.gz YCNYNFXCFMKCGM-CYBMUJFWSA-N 2 1 248.370 2.127 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCCC(C)(C)C ZINC000300935880 173380128 /nfs/dbraw/zinc/38/01/28/173380128.db2.gz VNLGLEIKGAGLDV-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+]1CCCC(C)(C)C ZINC000300935880 173380130 /nfs/dbraw/zinc/38/01/30/173380130.db2.gz VNLGLEIKGAGLDV-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000011891913 173382080 /nfs/dbraw/zinc/38/20/80/173382080.db2.gz MUPCTGVRWFSYKH-CQSZACIVSA-N 2 1 218.344 2.036 20 0 BEADMP COCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000359944534 174263824 /nfs/dbraw/zinc/26/38/24/174263824.db2.gz VILHCHVYAXLTLS-BFHYXJOUSA-N 2 1 240.391 2.018 20 0 BEADMP COCCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000359944534 174263825 /nfs/dbraw/zinc/26/38/25/174263825.db2.gz VILHCHVYAXLTLS-BFHYXJOUSA-N 2 1 240.391 2.018 20 0 BEADMP COCCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363546411 174264793 /nfs/dbraw/zinc/26/47/93/174264793.db2.gz RKZOAPLDPKJKKU-MELADBBJSA-N 2 1 240.391 2.018 20 0 BEADMP COCC[C@@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000045018806 174383606 /nfs/dbraw/zinc/38/36/06/174383606.db2.gz QWBSQIVIWAPXEK-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP COc1ccc(C)cc1[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000038041004 175081323 /nfs/dbraw/zinc/08/13/23/175081323.db2.gz GRCZJVQIOKAFIZ-LBPRGKRZSA-N 2 1 248.370 2.406 20 0 BEADMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC000042442234 175095547 /nfs/dbraw/zinc/09/55/47/175095547.db2.gz HVNVOJKQYURHJA-AWEZNQCLSA-N 2 1 248.370 2.127 20 0 BEADMP COc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000104314174 175098922 /nfs/dbraw/zinc/09/89/22/175098922.db2.gz DJAUMOVNOBFYDK-AWEZNQCLSA-N 2 1 248.370 2.399 20 0 BEADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000090720838 175109731 /nfs/dbraw/zinc/10/97/31/175109731.db2.gz ZEPDVHIRKNEXMG-TZMCWYRMSA-N 2 1 248.370 2.268 20 0 BEADMP COc1cccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000113712678 175255863 /nfs/dbraw/zinc/25/58/63/175255863.db2.gz GWBGTVVFRTUEIP-CQSZACIVSA-N 2 1 248.370 2.269 20 0 BEADMP COc1cccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000049713132 175260835 /nfs/dbraw/zinc/26/08/35/175260835.db2.gz PPNDBIXHMNCWLQ-WCQYABFASA-N 2 1 234.343 2.007 20 0 BEADMP COc1cccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000271854490 175262934 /nfs/dbraw/zinc/26/29/34/175262934.db2.gz UKWSJTRJHHJTGG-UHFFFAOYSA-N 2 1 246.354 2.047 20 0 BEADMP COc1cccc(C[NH2+][C@H](C)CC[NH+](C)C)c1 ZINC000049551736 175267524 /nfs/dbraw/zinc/26/75/24/175267524.db2.gz OKIAQASRMWMVDS-GFCCVEGCSA-N 2 1 236.359 2.125 20 0 BEADMP COc1cccc([C@@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000224194727 175286937 /nfs/dbraw/zinc/28/69/37/175286937.db2.gz VCXTXKXNJZLDCD-NEPJUHHUSA-N 2 1 234.343 2.037 20 0 BEADMP COc1cccc([C@H](C)[NH2+]CCC[NH+](C)C)c1 ZINC000019958657 175293611 /nfs/dbraw/zinc/29/36/11/175293611.db2.gz HIISXGUDQWRRSP-LBPRGKRZSA-N 2 1 236.359 2.298 20 0 BEADMP COc1ccccc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074261 175327114 /nfs/dbraw/zinc/32/71/14/175327114.db2.gz YDHZFMPUQMHEPK-CYBMUJFWSA-N 2 1 248.370 2.256 20 0 BEADMP COc1ccccc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000113655516 175327646 /nfs/dbraw/zinc/32/76/46/175327646.db2.gz KWZVMWUXGYEKGM-CHWSQXEVSA-N 2 1 248.370 2.254 20 0 BEADMP COc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000049708123 175327980 /nfs/dbraw/zinc/32/79/80/175327980.db2.gz OTRVHPZESPHBNN-DGCLKSJQSA-N 2 1 234.343 2.007 20 0 BEADMP COc1ccccc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000049708123 175327982 /nfs/dbraw/zinc/32/79/82/175327982.db2.gz OTRVHPZESPHBNN-DGCLKSJQSA-N 2 1 234.343 2.007 20 0 BEADMP COc1ccccc1[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000038040632 175344953 /nfs/dbraw/zinc/34/49/53/175344953.db2.gz QVSCOFRSJRMTTI-LLVKDONJSA-N 2 1 234.343 2.098 20 0 BEADMP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cc(F)ccc1F ZINC000309350395 175708100 /nfs/dbraw/zinc/70/81/00/175708100.db2.gz MYIRTGMBPJBPDZ-DTWKUNHWSA-N 2 1 228.286 2.210 20 0 BEADMP C[C@@H](c1cccc(O)c1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226437841 176019304 /nfs/dbraw/zinc/01/93/04/176019304.db2.gz GSNRSUJSCLGWQC-QWHCGFSZSA-N 2 1 248.370 2.385 20 0 BEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049708457 176021551 /nfs/dbraw/zinc/02/15/51/176021551.db2.gz DEXULUOWZSCBAU-DYEKYZERSA-N 2 1 218.344 2.417 20 0 BEADMP C[C@@H](c1ccccn1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000177170085 176028223 /nfs/dbraw/zinc/02/82/23/176028223.db2.gz BROXFNVAOGTROQ-QWHCGFSZSA-N 2 1 233.359 2.026 20 0 BEADMP C[C@@H](c1ccccn1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000177170085 176028225 /nfs/dbraw/zinc/02/82/25/176028225.db2.gz BROXFNVAOGTROQ-QWHCGFSZSA-N 2 1 233.359 2.026 20 0 BEADMP C[C@@H](c1cccnc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169736 176030718 /nfs/dbraw/zinc/03/07/18/176030718.db2.gz GDEORWNAMOOVFX-QWHCGFSZSA-N 2 1 233.359 2.203 20 0 BEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCOCC1 ZINC000036303941 176071948 /nfs/dbraw/zinc/07/19/48/176071948.db2.gz ZASZWSQBCTXXJW-CYBMUJFWSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000346158793 176076462 /nfs/dbraw/zinc/07/64/62/176076462.db2.gz AJRHWVIPXWLCCF-KBUPBQIOSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC1CC[NH2+]CC1 ZINC000042610995 176079082 /nfs/dbraw/zinc/07/90/82/176079082.db2.gz JBVPRWCQBUWEBS-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](C)CC2)CC[NH2+]1 ZINC000235312926 176100270 /nfs/dbraw/zinc/10/02/70/176100270.db2.gz IASXGRNIGYYJPC-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H](C[NH2+]C[C@@H]1C[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000336751422 176103708 /nfs/dbraw/zinc/10/37/08/176103708.db2.gz VHRUUMWKYLJSOO-SYQHCUMBSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@H](C[NH2+]C[C@@H]1C[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000336751422 176103709 /nfs/dbraw/zinc/10/37/09/176103709.db2.gz VHRUUMWKYLJSOO-SYQHCUMBSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300244541 176128540 /nfs/dbraw/zinc/12/85/40/176128540.db2.gz YBPNIFVWULNFES-AAVRWANBSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000309154115 176131055 /nfs/dbraw/zinc/13/10/55/176131055.db2.gz WZBDZGKDNVMHTC-UPJWGTAASA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000163472692 176175925 /nfs/dbraw/zinc/17/59/25/176175925.db2.gz WCKKLOUOPSZFKP-YPMHNXCESA-N 2 1 236.334 2.242 20 0 BEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000333233305 176185313 /nfs/dbraw/zinc/18/53/13/176185313.db2.gz CMBMBPCCUGIBCH-ZWNOBZJWSA-N 2 1 249.358 2.030 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000309105911 176212110 /nfs/dbraw/zinc/21/21/10/176212110.db2.gz HWKXDEILZBQEHM-DGCLKSJQSA-N 2 1 208.349 2.027 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000309829088 176218240 /nfs/dbraw/zinc/21/82/40/176218240.db2.gz YBQKDAGYLWXZHS-MBJXGIAVSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC000131996955 176269933 /nfs/dbraw/zinc/26/99/33/176269933.db2.gz GPLNZMMVGDJOCD-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CC1(C)C ZINC000300359327 176278353 /nfs/dbraw/zinc/27/83/53/176278353.db2.gz OHJGLPWHFQIFKO-LPWJVIDDSA-N 2 1 224.392 2.351 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CCC1 ZINC000036908572 176278532 /nfs/dbraw/zinc/27/85/32/176278532.db2.gz JKIVNZGGCZWCHQ-NQBHXWOUSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC2CCC2)CC[NH2+]1 ZINC000235378938 176367294 /nfs/dbraw/zinc/36/72/94/176367294.db2.gz XXOBGIURTPNGSY-YPMHNXCESA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC3(CCC3)C2)CC[NH2+]1 ZINC000335664643 176368601 /nfs/dbraw/zinc/36/86/01/176368601.db2.gz VXCSALFNQBQIIH-OLZOCXBDSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCc1ccccc1 ZINC000049713023 176371840 /nfs/dbraw/zinc/37/18/40/176371840.db2.gz MTTCZJGUWUHMSE-HIFRSBDPSA-N 2 1 232.371 2.431 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)CC[N@H+]1C ZINC000302212382 176376040 /nfs/dbraw/zinc/37/60/40/176376040.db2.gz PYMQNPWHXDBPDP-WOPDTQHZSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)CC[N@H+]1C ZINC000302212379 176376673 /nfs/dbraw/zinc/37/66/73/176376673.db2.gz PYMQNPWHXDBPDP-UTUOFQBUSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245341 177033887 /nfs/dbraw/zinc/03/38/87/177033887.db2.gz VVTQYIZTDJMBKI-NXEZZACHSA-N 2 1 240.297 2.306 20 0 BEADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245341 177033888 /nfs/dbraw/zinc/03/38/88/177033888.db2.gz VVTQYIZTDJMBKI-NXEZZACHSA-N 2 1 240.297 2.306 20 0 BEADMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000049509038 177034791 /nfs/dbraw/zinc/03/47/91/177034791.db2.gz FGFOVDQKNMJXSB-GHMZBOCLSA-N 2 1 222.307 2.167 20 0 BEADMP C[C@H](c1ccccn1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000247720582 177042614 /nfs/dbraw/zinc/04/26/14/177042614.db2.gz AEVYYNQGMOLKNQ-OLZOCXBDSA-N 2 1 233.359 2.074 20 0 BEADMP C[C@H](c1ccccn1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000247720582 177042617 /nfs/dbraw/zinc/04/26/17/177042617.db2.gz AEVYYNQGMOLKNQ-OLZOCXBDSA-N 2 1 233.359 2.074 20 0 BEADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccncc1 ZINC000004185287 177075216 /nfs/dbraw/zinc/07/52/16/177075216.db2.gz IOTBFUNGVCCJAZ-AWEZNQCLSA-N 2 1 247.386 2.436 20 0 BEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccncc1 ZINC000004185287 177075218 /nfs/dbraw/zinc/07/52/18/177075218.db2.gz IOTBFUNGVCCJAZ-AWEZNQCLSA-N 2 1 247.386 2.436 20 0 BEADMP C[C@H]1CCCC[N@@H+]1C[C@H]([NH3+])Cc1ccccc1 ZINC000037115945 177076373 /nfs/dbraw/zinc/07/63/73/177076373.db2.gz FJMATLUPPQTNFD-DZGCQCFKSA-N 2 1 232.371 2.431 20 0 BEADMP C[C@H]1CCCC[N@H+]1C[C@H]([NH3+])Cc1ccccc1 ZINC000037115945 177076375 /nfs/dbraw/zinc/07/63/75/177076375.db2.gz FJMATLUPPQTNFD-DZGCQCFKSA-N 2 1 232.371 2.431 20 0 BEADMP C[C@H]1CC[N@@H+](CCCCCF)C[C@H]1C[NH3+] ZINC000336695468 177161254 /nfs/dbraw/zinc/16/12/54/177161254.db2.gz NWIANVCSFZTACX-NWDGAFQWSA-N 2 1 216.344 2.043 20 0 BEADMP C[C@H]1CC[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1 ZINC000336054447 177208499 /nfs/dbraw/zinc/20/84/99/177208499.db2.gz AURFSMYCRYCJHB-ZFWWWQNUSA-N 2 1 236.403 2.498 20 0 BEADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1sccc1Cl ZINC000335256423 177284645 /nfs/dbraw/zinc/28/46/45/177284645.db2.gz QJKANXLUJGKOEF-WCBMZHEXSA-N 2 1 244.791 2.489 20 0 BEADMP C[C@H]1C[C@@H](C[N@H+]2CCC3(CCC3)C2)CC[NH2+]1 ZINC000335664645 177324518 /nfs/dbraw/zinc/32/45/18/177324518.db2.gz VXCSALFNQBQIIH-STQMWFEESA-N 2 1 222.376 2.251 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCc1ccccc1 ZINC000049713024 177326473 /nfs/dbraw/zinc/32/64/73/177326473.db2.gz MTTCZJGUWUHMSE-ZFWWWQNUSA-N 2 1 232.371 2.431 20 0 BEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000154416593 177332464 /nfs/dbraw/zinc/33/24/64/177332464.db2.gz KLMNYISMHITNOT-TYNCELHUSA-N 2 1 248.370 2.211 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000154416593 177332465 /nfs/dbraw/zinc/33/24/65/177332465.db2.gz KLMNYISMHITNOT-TYNCELHUSA-N 2 1 248.370 2.211 20 0 BEADMP C[C@H]1C[C@@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000309506951 177345104 /nfs/dbraw/zinc/34/51/04/177345104.db2.gz WCUPNCZEXPWPDP-PJIALRRASA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H](C[NH2+]C[C@@H]1C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000336751421 177382278 /nfs/dbraw/zinc/38/22/78/177382278.db2.gz VHRUUMWKYLJSOO-RQJABVFESA-N 2 1 224.392 2.352 20 0 BEADMP C[C@H](C[NH2+]C[C@@H]1C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000336751421 177382280 /nfs/dbraw/zinc/38/22/80/177382280.db2.gz VHRUUMWKYLJSOO-RQJABVFESA-N 2 1 224.392 2.352 20 0 BEADMP Cc1ccsc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000087310879 487639597 /nfs/dbraw/zinc/63/95/97/487639597.db2.gz CUYFBTRQWPWLET-WDEREUQCSA-N 2 1 224.373 2.368 20 0 BEADMP C[C@H]1CCC[C@@H](CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000479767289 225192424 /nfs/dbraw/zinc/19/24/24/225192424.db2.gz AUVFLLAFSVICSF-ZQDZILKHSA-N 2 1 236.403 2.354 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000488310705 225366368 /nfs/dbraw/zinc/36/63/68/225366368.db2.gz HJMONTNTFAWEAR-RQJABVFESA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000488310705 225366370 /nfs/dbraw/zinc/36/63/70/225366370.db2.gz HJMONTNTFAWEAR-RQJABVFESA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000488310705 225366374 /nfs/dbraw/zinc/36/63/74/225366374.db2.gz HJMONTNTFAWEAR-RQJABVFESA-N 2 1 222.376 2.059 20 0 BEADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC(C)(C)C ZINC000383610857 487647706 /nfs/dbraw/zinc/64/77/06/487647706.db2.gz SPCKFJQWGSOIEF-ZDUSSCGKSA-N 2 1 244.423 2.056 20 0 BEADMP CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC(C)(C)C ZINC000383610857 487647711 /nfs/dbraw/zinc/64/77/11/487647711.db2.gz SPCKFJQWGSOIEF-ZDUSSCGKSA-N 2 1 244.423 2.056 20 0 BEADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC(C)(C)C ZINC000383610857 487647714 /nfs/dbraw/zinc/64/77/14/487647714.db2.gz SPCKFJQWGSOIEF-ZDUSSCGKSA-N 2 1 244.423 2.056 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000495071951 226275793 /nfs/dbraw/zinc/27/57/93/226275793.db2.gz QPMZKNMGSBWTJK-OWTLIXCDSA-N 2 1 235.375 2.462 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000495071948 226275972 /nfs/dbraw/zinc/27/59/72/226275972.db2.gz QPMZKNMGSBWTJK-GFQSEFKGSA-N 2 1 235.375 2.462 20 0 BEADMP C[C@H]([NH2+][C@H]1CC12CCCC2)[C@H]1CCC[NH2+]1 ZINC000400391609 226342368 /nfs/dbraw/zinc/34/23/68/226342368.db2.gz OGLNIVZLJCSARS-TUAOUCFPSA-N 2 1 208.349 2.049 20 0 BEADMP Cc1ccccc1CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400733501 226350872 /nfs/dbraw/zinc/35/08/72/226350872.db2.gz JHWQZRGEOGTWIJ-UKRRQHHQSA-N 2 1 232.371 2.268 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CC2CCC1CC2 ZINC000401640984 226360692 /nfs/dbraw/zinc/36/06/92/226360692.db2.gz HONHYDLOLDCBIY-YIZWMMSDSA-N 2 1 233.359 2.131 20 0 BEADMP CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000232770263 487653016 /nfs/dbraw/zinc/65/30/16/487653016.db2.gz IIVRMYGTVLTNKV-RYUDHWBXSA-N 2 1 210.365 2.297 20 0 BEADMP COc1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1 ZINC000049826959 487683424 /nfs/dbraw/zinc/68/34/24/487683424.db2.gz WQHUXQRLEXHFRS-UHFFFAOYSA-N 2 1 234.343 2.008 20 0 BEADMP Cc1cncc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000228618748 487695547 /nfs/dbraw/zinc/69/55/47/487695547.db2.gz ONFFFRHGZTUULF-YIONKMFJSA-N 2 1 245.370 2.105 20 0 BEADMP Cc1cncc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000228618748 487695561 /nfs/dbraw/zinc/69/55/61/487695561.db2.gz ONFFFRHGZTUULF-YIONKMFJSA-N 2 1 245.370 2.105 20 0 BEADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]CC2(F)CC2)C1 ZINC000527514376 262851427 /nfs/dbraw/zinc/85/14/27/262851427.db2.gz HRWPOPPVXNOIPY-STQMWFEESA-N 2 1 242.382 2.446 20 0 BEADMP Cc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)ccn1 ZINC000527720038 262875938 /nfs/dbraw/zinc/87/59/38/262875938.db2.gz KWTXUDRRMNSWHW-AWEZNQCLSA-N 2 1 247.386 2.212 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CS[C@@H](C)C1 ZINC000226330596 487712875 /nfs/dbraw/zinc/71/28/75/487712875.db2.gz ZQSKJOLMSWIVDA-NWDGAFQWSA-N 2 1 230.421 2.200 20 0 BEADMP CCC[NH2+]CC[NH2+]C[C@H]1CCOc2ccccc21 ZINC000228716212 487718079 /nfs/dbraw/zinc/71/80/79/487718079.db2.gz TYEGPPUMEICNFO-CYBMUJFWSA-N 2 1 248.370 2.142 20 0 BEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCSCC)C1 ZINC000081578980 487728107 /nfs/dbraw/zinc/72/81/07/487728107.db2.gz QFCRGDJBNYLMPL-ZDUSSCGKSA-N 2 1 244.448 2.403 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCSCC)C1 ZINC000081578980 487728115 /nfs/dbraw/zinc/72/81/15/487728115.db2.gz QFCRGDJBNYLMPL-ZDUSSCGKSA-N 2 1 244.448 2.403 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCSCC)C1 ZINC000081578980 487728121 /nfs/dbraw/zinc/72/81/21/487728121.db2.gz QFCRGDJBNYLMPL-ZDUSSCGKSA-N 2 1 244.448 2.403 20 0 BEADMP CCCOc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000052920450 487732452 /nfs/dbraw/zinc/73/24/52/487732452.db2.gz QAJZATKFMFKIEX-AWEZNQCLSA-N 2 1 248.370 2.256 20 0 BEADMP CC[C@]1(C)CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000379462402 487734468 /nfs/dbraw/zinc/73/44/68/487734468.db2.gz UKWLVJVPNUJENT-QWHCGFSZSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H](CCCCO)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000651482239 487752779 /nfs/dbraw/zinc/75/27/79/487752779.db2.gz PFTXBQLFKXEMJX-ZDUSSCGKSA-N 2 1 242.407 2.002 20 0 BEADMP C[C@@H](CCCCO)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000651482239 487752782 /nfs/dbraw/zinc/75/27/82/487752782.db2.gz PFTXBQLFKXEMJX-ZDUSSCGKSA-N 2 1 242.407 2.002 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)c1ccncc1 ZINC000251357692 487754707 /nfs/dbraw/zinc/75/47/07/487754707.db2.gz UQTGCGLPEDRPQH-TZMCWYRMSA-N 2 1 235.375 2.448 20 0 BEADMP CC[C@H]1C[N@@H+](CCOc2ccccc2)CC[C@H]1[NH3+] ZINC000251788156 487799193 /nfs/dbraw/zinc/79/91/93/487799193.db2.gz NKLWUJXOMGINSY-DZGCQCFKSA-N 2 1 248.370 2.125 20 0 BEADMP CC[C@@H]1C[N@@H+](Cc2cccs2)CC[C@H]1[NH3+] ZINC000251843172 487803207 /nfs/dbraw/zinc/80/32/07/487803207.db2.gz QZIHNVAVIARPDN-ZYHUDNBSSA-N 2 1 224.373 2.307 20 0 BEADMP CC[C@@H]1C[N@H+]([C@H](C)c2ccccn2)CC[C@@H]1[NH3+] ZINC000251884537 487805782 /nfs/dbraw/zinc/80/57/82/487805782.db2.gz VMGMNDIWKUHLMT-UPJWGTAASA-N 2 1 233.359 2.202 20 0 BEADMP C[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1)C(C)(C)C ZINC000251889688 487805809 /nfs/dbraw/zinc/80/58/09/487805809.db2.gz VLHMVHRYGDRJCN-IJLUTSLNSA-N 2 1 212.381 2.338 20 0 BEADMP C[NH+]1CCC([NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651669344 487814565 /nfs/dbraw/zinc/81/45/65/487814565.db2.gz QJYHLBNOXBQMPZ-UHFFFAOYSA-N 2 1 244.382 2.359 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CS1 ZINC000322749037 487821937 /nfs/dbraw/zinc/82/19/37/487821937.db2.gz WWRJRMKDDPJEJO-AAGQIVHDSA-N 2 1 240.416 2.095 20 0 BEADMP CCCC[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703334 589513178 /nfs/dbraw/zinc/51/31/78/589513178.db2.gz LMTXGACBHOBLBV-CYBMUJFWSA-N 2 1 212.381 2.483 20 0 BEADMP Cc1ccsc1C[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000309053015 632629182 /nfs/dbraw/zinc/62/91/82/632629182.db2.gz QYNCLWSFKLZMGU-QMMMGPOBSA-N 2 1 234.315 2.129 20 0 BEADMP CCCOc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000666746472 487850440 /nfs/dbraw/zinc/85/04/40/487850440.db2.gz BHPIVCHCEPFKGS-HNNXBMFYSA-N 2 1 248.370 2.302 20 0 BEADMP CCCOc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000666834161 487870430 /nfs/dbraw/zinc/87/04/30/487870430.db2.gz MRKSCXZLICVECP-OAHLLOKOSA-N 2 1 248.370 2.302 20 0 BEADMP [NH3+]C[C@@H]([NH2+]Cc1ccccc1C1CC1)C1CC1 ZINC000666746303 487870578 /nfs/dbraw/zinc/87/05/78/487870578.db2.gz DHFBQBIDUOERDC-OAHLLOKOSA-N 2 1 230.355 2.391 20 0 BEADMP [NH3+][C@@H](C[NH2+]Cc1ccc2cnccc2c1)C1CC1 ZINC000666835906 487887916 /nfs/dbraw/zinc/88/79/16/487887916.db2.gz YXEBEUCVPXUBIW-HNNXBMFYSA-N 2 1 241.338 2.062 20 0 BEADMP COc1ccc(C)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666855489 487891001 /nfs/dbraw/zinc/89/10/01/487891001.db2.gz VOARGUWOHBCAPR-AWEZNQCLSA-N 2 1 248.370 2.235 20 0 BEADMP CC[NH2+][C@H](C)C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000666877426 487895737 /nfs/dbraw/zinc/89/57/37/487895737.db2.gz XGRWUGQUWXTNOL-OLZOCXBDSA-N 2 1 248.370 2.140 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccccc1C1CC1 ZINC000666910472 487901257 /nfs/dbraw/zinc/90/12/57/487901257.db2.gz TTXVFFINBQHBJM-CYBMUJFWSA-N 2 1 218.344 2.391 20 0 BEADMP C[C@H]1CCCC[C@@H]1C[N@@H+](C)CC1CN(C)C1 ZINC000668539863 487906485 /nfs/dbraw/zinc/90/64/85/487906485.db2.gz OPBRRGRTHHPEPQ-GXTWGEPZSA-N 2 1 224.392 2.306 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)CC1CN(C)C1 ZINC000668539866 487906704 /nfs/dbraw/zinc/90/67/04/487906704.db2.gz OPBRRGRTHHPEPQ-TZMCWYRMSA-N 2 1 224.392 2.306 20 0 BEADMP C[C@@H](Cc1ccsc1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000235129531 487924703 /nfs/dbraw/zinc/92/47/03/487924703.db2.gz TVEAZFYCWFVUOJ-AAEUAGOBSA-N 2 1 238.400 2.411 20 0 BEADMP C[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000235154363 487925710 /nfs/dbraw/zinc/92/57/10/487925710.db2.gz MJLYMVYXEOZMAS-QWRGUYRKSA-N 2 1 224.373 2.021 20 0 BEADMP CC[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1[NH3+] ZINC000157894742 487927889 /nfs/dbraw/zinc/92/78/89/487927889.db2.gz ZRNVHNGETJENMA-NEPJUHHUSA-N 2 1 212.381 2.482 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000667060729 487929867 /nfs/dbraw/zinc/92/98/67/487929867.db2.gz HZIYSMVTKOUQFW-UONOGXRCSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C1 ZINC000235301748 487940414 /nfs/dbraw/zinc/94/04/14/487940414.db2.gz LHIIPHUNEOEBBJ-AGIUHOORSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403208551 323000249 /nfs/dbraw/zinc/00/02/49/323000249.db2.gz HNOVFBZIPPLUDT-ZSAUSMIDSA-N 2 1 236.403 2.352 20 0 BEADMP CCC[C@H](C)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000564736284 323014420 /nfs/dbraw/zinc/01/44/20/323014420.db2.gz NQRFKYRAPDDCRK-NWDGAFQWSA-N 2 1 221.348 2.398 20 0 BEADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccoc1 ZINC000562956092 323035005 /nfs/dbraw/zinc/03/50/05/323035005.db2.gz DCAPYTVSDIXKQE-LLVKDONJSA-N 2 1 210.321 2.318 20 0 BEADMP C[C@@H]([NH3+])C[C@H](C)Nc1[nH+]ccc2cc(F)ccc21 ZINC000569694063 323037227 /nfs/dbraw/zinc/03/72/27/323037227.db2.gz IJWLKUAJEDUURH-ZJUUUORDSA-N 2 1 247.317 2.334 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCC23CC3)CC1 ZINC000569710115 323038105 /nfs/dbraw/zinc/03/81/05/323038105.db2.gz NCNVSZFXZIJSBN-CYBMUJFWSA-N 2 1 220.360 2.171 20 0 BEADMP CC[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](C)OC ZINC000569897533 323043637 /nfs/dbraw/zinc/04/36/37/323043637.db2.gz PASRFZRZWZUBOW-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](C)OC ZINC000569897533 323043638 /nfs/dbraw/zinc/04/36/38/323043638.db2.gz PASRFZRZWZUBOW-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP C[N@H+]1CCC[C@H]2C[NH+](CC3(C)CC3)CC[C@@H]21 ZINC000569904073 323043973 /nfs/dbraw/zinc/04/39/73/323043973.db2.gz CVXSMHBKIYJEFW-STQMWFEESA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@H+](CC3(C)CC3)CC[C@@H]21 ZINC000569904073 323043974 /nfs/dbraw/zinc/04/39/74/323043974.db2.gz CVXSMHBKIYJEFW-STQMWFEESA-N 2 1 222.376 2.203 20 0 BEADMP Cc1sccc1C[NH2+]CCC[NH+]1CCC1 ZINC000570224755 323053396 /nfs/dbraw/zinc/05/33/96/323053396.db2.gz FBCUMZQPXZBQNE-UHFFFAOYSA-N 2 1 224.373 2.242 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)c1ccoc1)[C@H]1CCC[NH2+]C1 ZINC000570709444 323067975 /nfs/dbraw/zinc/06/79/75/323067975.db2.gz ZNCVRULUJCPOGG-WOPDTQHZSA-N 2 1 222.332 2.318 20 0 BEADMP CC[C@H]1CCC[C@@H](C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000394504324 323075126 /nfs/dbraw/zinc/07/51/26/323075126.db2.gz DTMIYRKYWPGLMF-YJNKXOJESA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@H]1CCC[C@@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000394504324 323075127 /nfs/dbraw/zinc/07/51/27/323075127.db2.gz DTMIYRKYWPGLMF-YJNKXOJESA-N 2 1 236.403 2.497 20 0 BEADMP CCc1cccc(OCC[NH+]2CCC([NH3+])CC2)c1 ZINC000020266805 323084663 /nfs/dbraw/zinc/08/46/63/323084663.db2.gz IRPPYJADTWXBIJ-UHFFFAOYSA-N 2 1 248.370 2.051 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CCc2c[nH+]cn2C)C[C@@H](C)C1 ZINC000401813574 323127364 /nfs/dbraw/zinc/12/73/64/323127364.db2.gz VXNTXXFELJVLQF-ITGUQSILSA-N 2 1 235.375 2.377 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C(C)C)C2CC2)C1 ZINC000163304920 323144164 /nfs/dbraw/zinc/14/41/64/323144164.db2.gz ILCPYOIJGLQQJT-GXTWGEPZSA-N 2 1 224.392 2.352 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(C2CC2)CC1 ZINC000308923527 323181713 /nfs/dbraw/zinc/18/17/13/323181713.db2.gz HOJSIGJOAXYSAI-LBPRGKRZSA-N 2 1 208.349 2.003 20 0 BEADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000394937717 323184699 /nfs/dbraw/zinc/18/46/99/323184699.db2.gz CHCSGVLUGOORJU-LERXQTSPSA-N 2 1 248.370 2.270 20 0 BEADMP Cc1ncccc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000530219789 323218059 /nfs/dbraw/zinc/21/80/59/323218059.db2.gz KGQZVOQQBFLXAY-KGLIPLIRSA-N 2 1 233.359 2.140 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@@H+](C)C1CC(C)(C)C1 ZINC000395463121 323227435 /nfs/dbraw/zinc/22/74/35/323227435.db2.gz PYDWFMCRJYLYMY-LLVKDONJSA-N 2 1 212.381 2.480 20 0 BEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCF)CC1 ZINC000532502454 323271710 /nfs/dbraw/zinc/27/17/10/323271710.db2.gz PHXDAKWYVNBYEF-UHFFFAOYSA-N 2 1 230.371 2.398 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CCCCC1 ZINC000396699295 323654716 /nfs/dbraw/zinc/65/47/16/323654716.db2.gz KSGLJVOKWHGDRC-AAEUAGOBSA-N 2 1 210.365 2.297 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@H]1CC12CC2 ZINC000527851698 323708296 /nfs/dbraw/zinc/70/82/96/323708296.db2.gz QYEGPILHHWKHIE-WCQYABFASA-N 2 1 233.359 2.360 20 0 BEADMP C[C@@H]1C[C@@H](C)[N@@H+](CC2CCCC2)C[C@H]1C[NH3+] ZINC000397331364 324211877 /nfs/dbraw/zinc/21/18/77/324211877.db2.gz RBIVBSCRVIAOEI-YRGRVCCFSA-N 2 1 224.392 2.482 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)C2CC(F)(F)C2)CC1 ZINC000529537047 324322149 /nfs/dbraw/zinc/32/21/49/324322149.db2.gz SPSFDAJBPYDLKL-SNVBAGLBSA-N 2 1 246.345 2.494 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)C2CC(F)(F)C2)CC1 ZINC000529537046 324322187 /nfs/dbraw/zinc/32/21/87/324322187.db2.gz SPSFDAJBPYDLKL-JTQLQIEISA-N 2 1 246.345 2.494 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529537653 324329985 /nfs/dbraw/zinc/32/99/85/324329985.db2.gz GOYHPJNZCCCTRL-VIFPVBQESA-N 2 1 243.301 2.215 20 0 BEADMP C[C@H]([NH2+]CC1CC=CC1)c1c[nH+]ccc1N ZINC000530218762 324536939 /nfs/dbraw/zinc/53/69/39/324536939.db2.gz XCPRWNNXBVSNTN-JTQLQIEISA-N 2 1 217.316 2.111 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cncs1 ZINC000133405720 325293818 /nfs/dbraw/zinc/29/38/18/325293818.db2.gz GXHVWMLMFGHMSG-WDEREUQCSA-N 2 1 239.388 2.136 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cncs1 ZINC000133405720 325293821 /nfs/dbraw/zinc/29/38/21/325293821.db2.gz GXHVWMLMFGHMSG-WDEREUQCSA-N 2 1 239.388 2.136 20 0 BEADMP CCSCC[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076002912 325325506 /nfs/dbraw/zinc/32/55/06/325325506.db2.gz UZJHEXOIRIRWQG-ZDUSSCGKSA-N 2 1 244.448 2.403 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)C[C@H]1CCSC1 ZINC000564324971 325372523 /nfs/dbraw/zinc/37/25/23/325372523.db2.gz KDNPWEMBWBRNTP-JHJVBQTASA-N 2 1 242.432 2.012 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C[C@H]1CCSC1 ZINC000564324971 325372525 /nfs/dbraw/zinc/37/25/25/325372525.db2.gz KDNPWEMBWBRNTP-JHJVBQTASA-N 2 1 242.432 2.012 20 0 BEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)C[C@H]1CCSC1 ZINC000564324971 325372526 /nfs/dbraw/zinc/37/25/26/325372526.db2.gz KDNPWEMBWBRNTP-JHJVBQTASA-N 2 1 242.432 2.012 20 0 BEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C[C@H]1CCSC1 ZINC000564324971 325372528 /nfs/dbraw/zinc/37/25/28/325372528.db2.gz KDNPWEMBWBRNTP-JHJVBQTASA-N 2 1 242.432 2.012 20 0 BEADMP [NH3+]C1(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)CCC1 ZINC000564828049 325813567 /nfs/dbraw/zinc/81/35/67/325813567.db2.gz QUQYVUOFAPOLRR-CYBMUJFWSA-N 2 1 249.333 2.143 20 0 BEADMP [NH3+]C1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000566226355 326018572 /nfs/dbraw/zinc/01/85/72/326018572.db2.gz PPZSISYXYZDFJG-UPHRSURJSA-N 2 1 234.318 2.262 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC(C)(C)C ZINC000566967812 326097158 /nfs/dbraw/zinc/09/71/58/326097158.db2.gz JWTVAPNIGDAXJB-RYUDHWBXSA-N 2 1 212.381 2.400 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000567034176 326104554 /nfs/dbraw/zinc/10/45/54/326104554.db2.gz URDZZDBQTPTXDK-MGPQQGTHSA-N 2 1 242.407 2.264 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000567034176 326104558 /nfs/dbraw/zinc/10/45/58/326104558.db2.gz URDZZDBQTPTXDK-MGPQQGTHSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]CC1(F)CC1 ZINC000309828647 326170153 /nfs/dbraw/zinc/17/01/53/326170153.db2.gz XYKOYWSPQRHBRB-GFCCVEGCSA-N 2 1 228.355 2.343 20 0 BEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]CC1(F)CC1 ZINC000309828647 326170154 /nfs/dbraw/zinc/17/01/54/326170154.db2.gz XYKOYWSPQRHBRB-GFCCVEGCSA-N 2 1 228.355 2.343 20 0 BEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CC3(C)CC3)C2)CC1 ZINC000567399473 326183524 /nfs/dbraw/zinc/18/35/24/326183524.db2.gz DZRPBKBGEPWJFB-CQSZACIVSA-N 2 1 236.403 2.450 20 0 BEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccccc1OC ZINC000567639095 326236239 /nfs/dbraw/zinc/23/62/39/326236239.db2.gz ULQFTIMMBAFJJP-LBPRGKRZSA-N 2 1 236.359 2.345 20 0 BEADMP FCCCCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567889766 326277090 /nfs/dbraw/zinc/27/70/90/326277090.db2.gz TZUNBSLMRMULNO-CYBMUJFWSA-N 2 1 228.355 2.202 20 0 BEADMP FCCCCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567889767 326277243 /nfs/dbraw/zinc/27/72/43/326277243.db2.gz TZUNBSLMRMULNO-ZDUSSCGKSA-N 2 1 228.355 2.202 20 0 BEADMP CC[C@H](C)[C@@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000314656956 326305296 /nfs/dbraw/zinc/30/52/96/326305296.db2.gz HPUHKLQUYZHDCY-NWDGAFQWSA-N 2 1 223.364 2.377 20 0 BEADMP CC[N@H+]1CCC[C@H](CN[C@@H](C)c2ccccn2)C1 ZINC000158881255 326345383 /nfs/dbraw/zinc/34/53/83/326345383.db2.gz JDXUDPPSZDGOBO-UONOGXRCSA-N 2 1 247.386 2.464 20 0 BEADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000158881255 326345386 /nfs/dbraw/zinc/34/53/86/326345386.db2.gz JDXUDPPSZDGOBO-UONOGXRCSA-N 2 1 247.386 2.464 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000158881255 326345388 /nfs/dbraw/zinc/34/53/88/326345388.db2.gz JDXUDPPSZDGOBO-UONOGXRCSA-N 2 1 247.386 2.464 20 0 BEADMP CC[C@@H]1C[C@H](C[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000569290965 326398987 /nfs/dbraw/zinc/39/89/87/326398987.db2.gz OEGNOKNKBPXYDT-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP Cn1cncc1CCC[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000653625938 487995190 /nfs/dbraw/zinc/99/51/90/487995190.db2.gz YBDIMSUEEJZTGS-OCCSQVGLSA-N 2 1 233.359 2.227 20 0 BEADMP C[C@H](Cc1cccs1)[NH2+]CCc1c[nH+]cn1C ZINC000682647713 488006144 /nfs/dbraw/zinc/00/61/44/488006144.db2.gz ODMFZUGQUJWVOL-LLVKDONJSA-N 2 1 249.383 2.245 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000488320628 533717132 /nfs/dbraw/zinc/71/71/32/533717132.db2.gz MRGLOPBFEBKOIE-TZMCWYRMSA-N 2 1 247.386 2.331 20 0 BEADMP Cc1cccc(C)c1C[NH2+]CCC[NH+]1CCC1 ZINC000226053969 488031874 /nfs/dbraw/zinc/03/18/74/488031874.db2.gz RCDTUWRKNKPEHE-UHFFFAOYSA-N 2 1 232.371 2.489 20 0 BEADMP CC[C@@H](C)[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667505279 488032817 /nfs/dbraw/zinc/03/28/17/488032817.db2.gz KHQJBBUQWGIJEL-GFCCVEGCSA-N 2 1 244.342 2.498 20 0 BEADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccsc1 ZINC000084384772 488050078 /nfs/dbraw/zinc/05/00/78/488050078.db2.gz MFVNTZRXJHHGFK-LLVKDONJSA-N 2 1 224.373 2.180 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000663510187 488055045 /nfs/dbraw/zinc/05/50/45/488055045.db2.gz CQIYDFMYWMCUDB-QWRGUYRKSA-N 2 1 240.778 2.469 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+]C[C@H](C)Cc1ccccc1 ZINC000663509943 488055499 /nfs/dbraw/zinc/05/54/99/488055499.db2.gz BLDUXQKDLYJBNO-OLZOCXBDSA-N 2 1 220.360 2.063 20 0 BEADMP C[N@H+]1CC[C@@H](NCc2cccnc2)CC1(C)C ZINC000084519281 488056766 /nfs/dbraw/zinc/05/67/66/488056766.db2.gz XWNFUGRHEFRBMB-CYBMUJFWSA-N 2 1 233.359 2.044 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2)CC1(C)C ZINC000084519281 488056777 /nfs/dbraw/zinc/05/67/77/488056777.db2.gz XWNFUGRHEFRBMB-CYBMUJFWSA-N 2 1 233.359 2.044 20 0 BEADMP Cc1ncn(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000319813690 488070012 /nfs/dbraw/zinc/07/00/12/488070012.db2.gz VHOGIHOXDZWPMX-TXEJJXNPSA-N 2 1 235.375 2.478 20 0 BEADMP Cc1ncc(C[N@H+]2C[C@H](C)CC[C@@H]2C)n1C ZINC000667650364 488072278 /nfs/dbraw/zinc/07/22/78/488072278.db2.gz VRLAMHKETDPMAM-MNOVXSKESA-N 2 1 221.348 2.349 20 0 BEADMP Fc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000257659664 488077291 /nfs/dbraw/zinc/07/72/91/488077291.db2.gz GAQHRYLDDCCMIQ-HNNXBMFYSA-N 2 1 248.345 2.401 20 0 BEADMP Fc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000257659664 488077294 /nfs/dbraw/zinc/07/72/94/488077294.db2.gz GAQHRYLDDCCMIQ-HNNXBMFYSA-N 2 1 248.345 2.401 20 0 BEADMP C([NH2+]C1CCCCCC1)[C@H]1CCCC[NH2+]1 ZINC000040397412 488077993 /nfs/dbraw/zinc/07/79/93/488077993.db2.gz CRWKVGHJRATLFN-CYBMUJFWSA-N 2 1 210.365 2.441 20 0 BEADMP Cn1cncc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000335291769 488088658 /nfs/dbraw/zinc/08/86/58/488088658.db2.gz WGTNUNTUFKPPHP-AWEZNQCLSA-N 2 1 227.311 2.367 20 0 BEADMP Cn1cncc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000335291769 488088663 /nfs/dbraw/zinc/08/86/63/488088663.db2.gz WGTNUNTUFKPPHP-AWEZNQCLSA-N 2 1 227.311 2.367 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1ccnc2ccccc12 ZINC000092347457 488090199 /nfs/dbraw/zinc/09/01/99/488090199.db2.gz LRKSOYWGSGCWAQ-UHFFFAOYSA-N 2 1 229.327 2.015 20 0 BEADMP C[C@](C[NH3+])([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C1CC1 ZINC000403135183 488115655 /nfs/dbraw/zinc/11/56/55/488115655.db2.gz SMZZPARKIDGCKW-GFQSEFKGSA-N 2 1 222.376 2.140 20 0 BEADMP C([C@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000403655001 488131027 /nfs/dbraw/zinc/13/10/27/488131027.db2.gz RXPOMIZSFDVFMP-ZQNQSHIBSA-N 2 1 234.387 2.249 20 0 BEADMP C([C@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000403655001 488131033 /nfs/dbraw/zinc/13/10/33/488131033.db2.gz RXPOMIZSFDVFMP-ZQNQSHIBSA-N 2 1 234.387 2.249 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403637625 488131525 /nfs/dbraw/zinc/13/15/25/488131525.db2.gz OQKDMFNBXQTYKB-JARUQAPTSA-N 2 1 236.403 2.482 20 0 BEADMP Cc1nccn1CCC[N@H+]1CC[C@@H](C(F)F)C1 ZINC000677819647 488134105 /nfs/dbraw/zinc/13/41/05/488134105.db2.gz IFBCZSHCDAUHQH-LLVKDONJSA-N 2 1 243.301 2.169 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000677819647 488134113 /nfs/dbraw/zinc/13/41/13/488134113.db2.gz IFBCZSHCDAUHQH-LLVKDONJSA-N 2 1 243.301 2.169 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C(F)F)C1 ZINC000677819647 488134119 /nfs/dbraw/zinc/13/41/19/488134119.db2.gz IFBCZSHCDAUHQH-LLVKDONJSA-N 2 1 243.301 2.169 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000382102339 487531776 /nfs/dbraw/zinc/53/17/76/487531776.db2.gz HBHQISNRUMLMLV-MQYQWHSLSA-N 2 1 222.376 2.106 20 0 BEADMP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000494506507 487480343 /nfs/dbraw/zinc/48/03/43/487480343.db2.gz FILYVAHYYKAPHM-IGQOVBAYSA-N 2 1 240.391 2.016 20 0 BEADMP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000494506507 487480350 /nfs/dbraw/zinc/48/03/50/487480350.db2.gz FILYVAHYYKAPHM-IGQOVBAYSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000405986320 487494435 /nfs/dbraw/zinc/49/44/35/487494435.db2.gz CFSYSZQOHFTZDA-NWDGAFQWSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000405986322 487494450 /nfs/dbraw/zinc/49/44/50/487494450.db2.gz CFSYSZQOHFTZDA-VXGBXAGGSA-N 2 1 224.392 2.482 20 0 BEADMP C[N@@H+](CCC(C)(C)C1CC1)C1CC([NH3+])C1 ZINC000405988796 487494471 /nfs/dbraw/zinc/49/44/71/487494471.db2.gz LKVANICCWYLESG-UHFFFAOYSA-N 2 1 210.365 2.234 20 0 BEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCC(C)(C)C1CC1 ZINC000405967609 487495512 /nfs/dbraw/zinc/49/55/12/487495512.db2.gz SGUILRAHMAVFPG-NWDGAFQWSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(C)(C)C1CC1 ZINC000405967612 487495679 /nfs/dbraw/zinc/49/56/79/487495679.db2.gz SGUILRAHMAVFPG-RYUDHWBXSA-N 2 1 224.392 2.482 20 0 BEADMP CC[C@@H]1C[N@@H+](CCCC(C)C)CC[C@@H]1[NH3+] ZINC000161559780 487503010 /nfs/dbraw/zinc/50/30/10/487503010.db2.gz JYGUWFSKABZEFL-OLZOCXBDSA-N 2 1 212.381 2.482 20 0 BEADMP C(CC1CCC1)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000662274480 487523107 /nfs/dbraw/zinc/52/31/07/487523107.db2.gz UPXDSNJUUCTVHL-UONOGXRCSA-N 2 1 222.376 2.251 20 0 BEADMP C[N@H+](Cc1ccsc1)C[C@H]1CCC[NH2+]C1 ZINC000021948897 488150346 /nfs/dbraw/zinc/15/03/46/488150346.db2.gz SWJPIRANBCVVOW-NSHDSACASA-N 2 1 224.373 2.180 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000662273958 490044893 /nfs/dbraw/zinc/04/48/93/490044893.db2.gz CROSJAOFQXFIDL-NIFZNCRKSA-N 2 1 234.387 2.106 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000662273958 490044895 /nfs/dbraw/zinc/04/48/95/490044895.db2.gz CROSJAOFQXFIDL-NIFZNCRKSA-N 2 1 234.387 2.106 20 0 BEADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000235271927 487939769 /nfs/dbraw/zinc/93/97/69/487939769.db2.gz WONDFTPILQDEDV-FRRDWIJNSA-N 2 1 210.365 2.297 20 0 BEADMP Cc1nccn1CCC[N@H+]1CC[C@H](C(F)F)C1 ZINC000677819648 488134494 /nfs/dbraw/zinc/13/44/94/488134494.db2.gz IFBCZSHCDAUHQH-NSHDSACASA-N 2 1 243.301 2.169 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C(F)F)C1 ZINC000677819648 488134498 /nfs/dbraw/zinc/13/44/98/488134498.db2.gz IFBCZSHCDAUHQH-NSHDSACASA-N 2 1 243.301 2.169 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C(F)F)C1 ZINC000677819648 488134501 /nfs/dbraw/zinc/13/45/01/488134501.db2.gz IFBCZSHCDAUHQH-NSHDSACASA-N 2 1 243.301 2.169 20 0 BEADMP C[N@@H+](Cc1ccsc1)C[C@H]1CCC[NH2+]C1 ZINC000021948897 488150343 /nfs/dbraw/zinc/15/03/43/488150343.db2.gz SWJPIRANBCVVOW-NSHDSACASA-N 2 1 224.373 2.180 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000322071217 488168456 /nfs/dbraw/zinc/16/84/56/488168456.db2.gz SKUFCUKCRXYVDX-XQHKEYJVSA-N 2 1 212.381 2.351 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CC2=CCCC2)CC[N@H+]1C ZINC000401173879 488183048 /nfs/dbraw/zinc/18/30/48/488183048.db2.gz UWKIDIDXDNCMFL-AAEUAGOBSA-N 2 1 208.349 2.169 20 0 BEADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C2CC2)cc1 ZINC000678140171 488204928 /nfs/dbraw/zinc/20/49/28/488204928.db2.gz LCUXBYRFJPDEQS-UHFFFAOYSA-N 2 1 248.370 2.221 20 0 BEADMP CC[C@H]1C[N@@H+](CCC2CCC2)CC[C@H]1[NH3+] ZINC000398751679 488223595 /nfs/dbraw/zinc/22/35/95/488223595.db2.gz BYSHWFOIHCZORA-QWHCGFSZSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC2CCC2)C1 ZINC000398799006 488224688 /nfs/dbraw/zinc/22/46/88/488224688.db2.gz NDJLOEGAYJAMKA-DGCLKSJQSA-N 2 1 210.365 2.236 20 0 BEADMP CC(C)[NH+](CCC[NH2+]Cc1cn[nH]c1)C(C)C ZINC000673629478 488298621 /nfs/dbraw/zinc/29/86/21/488298621.db2.gz FDOYYIAMUGZBHB-UHFFFAOYSA-N 2 1 238.379 2.008 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000684367019 488301931 /nfs/dbraw/zinc/30/19/31/488301931.db2.gz JWZLPGBCEDXBGR-MCIONIFRSA-N 2 1 242.407 2.264 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679225302 488321633 /nfs/dbraw/zinc/32/16/33/488321633.db2.gz PQHJWECHVMBRNS-DGCLKSJQSA-N 2 1 239.338 2.262 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679225302 488321635 /nfs/dbraw/zinc/32/16/35/488321635.db2.gz PQHJWECHVMBRNS-DGCLKSJQSA-N 2 1 239.338 2.262 20 0 BEADMP CC(C)C[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211945392 488352969 /nfs/dbraw/zinc/35/29/69/488352969.db2.gz XZFSWQLOWRZVTN-UHFFFAOYSA-N 2 1 232.371 2.420 20 0 BEADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)C1CC1 ZINC000121862518 490111920 /nfs/dbraw/zinc/11/19/20/490111920.db2.gz AYNYFHNCHHIAKD-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC000651911483 490153619 /nfs/dbraw/zinc/15/36/19/490153619.db2.gz BAAIECLUMPSWLT-WCQYABFASA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccncc1 ZINC000675926989 490253630 /nfs/dbraw/zinc/25/36/30/490253630.db2.gz KAAQCZPAILROKT-VNHYZAJKSA-N 2 1 247.386 2.257 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)C1 ZINC000558621438 490282106 /nfs/dbraw/zinc/28/21/06/490282106.db2.gz MWRCRLXLBNEOAH-TUVASFSCSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C(C)C)C1)C1CC1 ZINC000083055798 490318407 /nfs/dbraw/zinc/31/84/07/490318407.db2.gz KUBAUVWQDBVZGI-TZMCWYRMSA-N 2 1 224.392 2.495 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2CC2)[C@@H](C)C1 ZINC000222133542 490574989 /nfs/dbraw/zinc/57/49/89/490574989.db2.gz SVFYJPMEJDTZRF-WCQYABFASA-N 2 1 210.365 2.106 20 0 BEADMP CCC[N@@H+](C[C@H]1CC[C@@H](C)O1)C1CC[NH2+]CC1 ZINC000232018157 491123793 /nfs/dbraw/zinc/12/37/93/491123793.db2.gz XMZYAULPWGHSIR-TZMCWYRMSA-N 2 1 240.391 2.018 20 0 BEADMP c1c2ccccc2oc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090320521 491124414 /nfs/dbraw/zinc/12/44/14/491124414.db2.gz YCJPSVRQEIWUCE-STQMWFEESA-N 2 1 242.322 2.084 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCS[C@@H]2C)[C@@H](C)C1 ZINC000309630426 491153216 /nfs/dbraw/zinc/15/32/16/491153216.db2.gz HPUFBJRJMFHBPT-QNWHQSFQSA-N 2 1 242.432 2.200 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000488352456 533722224 /nfs/dbraw/zinc/72/22/24/533722224.db2.gz NVTPFPNJCWPNTO-VHDGCEQUSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000488352456 533722229 /nfs/dbraw/zinc/72/22/29/533722229.db2.gz NVTPFPNJCWPNTO-VHDGCEQUSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000488352456 533722234 /nfs/dbraw/zinc/72/22/34/533722234.db2.gz NVTPFPNJCWPNTO-VHDGCEQUSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000488358715 533722472 /nfs/dbraw/zinc/72/24/72/533722472.db2.gz XZNGOGZDKFIUBI-QLFBSQMISA-N 2 1 236.403 2.450 20 0 BEADMP CSC[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000400115084 533749321 /nfs/dbraw/zinc/74/93/21/533749321.db2.gz JDWCSERQAQQCNM-UPJWGTAASA-N 2 1 242.432 2.202 20 0 BEADMP CSC[C@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(C)C ZINC000400010303 533816560 /nfs/dbraw/zinc/81/65/60/533816560.db2.gz VLFZEFHMCMCZIZ-NWDGAFQWSA-N 2 1 230.421 2.187 20 0 BEADMP C[C@H]([NH2+]CCc1cccs1)[C@@H]1CCC[NH2+]1 ZINC000400504512 533875218 /nfs/dbraw/zinc/87/52/18/533875218.db2.gz HNMWAYRHZFZOQD-JQWIXIFHSA-N 2 1 224.373 2.021 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCCC1(F)F)[C@H]1CCC[NH2+]1 ZINC000400480246 533881685 /nfs/dbraw/zinc/88/16/85/533881685.db2.gz VYKSHUMMMFJIRX-GARJFASQSA-N 2 1 232.318 2.152 20 0 BEADMP CCC[C@H](C)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251286606 535610517 /nfs/dbraw/zinc/61/05/17/535610517.db2.gz GXYFGUWHCPGMAY-AVGNSLFASA-N 2 1 212.381 2.482 20 0 BEADMP CCOC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000348481045 535669180 /nfs/dbraw/zinc/66/91/80/535669180.db2.gz SXWCOHUZHMGNOO-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@@H]1C[C@H](C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000892068937 582784484 /nfs/dbraw/zinc/78/44/84/582784484.db2.gz WPFSVMAEUONXSZ-GXTWGEPZSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000262023032 534720095 /nfs/dbraw/zinc/72/00/95/534720095.db2.gz YQNRSTMFAOZHBG-NEPJUHHUSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000262023032 534720102 /nfs/dbraw/zinc/72/01/02/534720102.db2.gz YQNRSTMFAOZHBG-NEPJUHHUSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)(C)[NH2+]CC[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000261545043 534720269 /nfs/dbraw/zinc/72/02/69/534720269.db2.gz JMFPPKQNFWEWQS-BETUJISGSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)(C)[NH2+]CC[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000261545043 534720275 /nfs/dbraw/zinc/72/02/75/534720275.db2.gz JMFPPKQNFWEWQS-BETUJISGSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@H+](CC[C@H]2CCCC[NH2+]2)C1 ZINC000242463552 525384332 /nfs/dbraw/zinc/38/43/32/525384332.db2.gz DFIGHHKRSRRDCH-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000400333832 526327811 /nfs/dbraw/zinc/32/78/11/526327811.db2.gz KVEPUOJMWRALPV-GFCCVEGCSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@H](C2CC2)C1 ZINC000400333832 526327817 /nfs/dbraw/zinc/32/78/17/526327817.db2.gz KVEPUOJMWRALPV-GFCCVEGCSA-N 2 1 210.365 2.106 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]1CC1CCC(C)CC1 ZINC000169225517 536457809 /nfs/dbraw/zinc/45/78/09/536457809.db2.gz BCIBQSPLVWXDLI-RUXDESIVSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]C/C=C/c2ccncc2)C1 ZINC000486986782 527814128 /nfs/dbraw/zinc/81/41/28/527814128.db2.gz ZKHLNODXCAUKFB-NHZBNJEXSA-N 2 1 245.370 2.026 20 0 BEADMP CC[NH+](CC)CCC[NH2+]C/C=C/c1ccncc1 ZINC000486924690 528112831 /nfs/dbraw/zinc/11/28/31/528112831.db2.gz DKGQYTMNPOHUOX-FNORWQNLSA-N 2 1 247.386 2.416 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1C[C@H]1C ZINC000309037102 528235506 /nfs/dbraw/zinc/23/55/06/528235506.db2.gz ITFUJPQKVHRFIK-AGIUHOORSA-N 2 1 210.365 2.106 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1C[C@H]1C ZINC000309037102 528235509 /nfs/dbraw/zinc/23/55/09/528235509.db2.gz ITFUJPQKVHRFIK-AGIUHOORSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)C[C@@H](C)C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000300987392 528252050 /nfs/dbraw/zinc/25/20/50/528252050.db2.gz VBERXDRECRSPLG-HZSPNIEDSA-N 2 1 224.392 2.352 20 0 BEADMP CCCC[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000174949754 528485887 /nfs/dbraw/zinc/48/58/87/528485887.db2.gz OVGZZTOFLTZDQC-ZDUSSCGKSA-N 2 1 212.381 2.450 20 0 BEADMP CCCC[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000174949754 528485890 /nfs/dbraw/zinc/48/58/90/528485890.db2.gz OVGZZTOFLTZDQC-ZDUSSCGKSA-N 2 1 212.381 2.450 20 0 BEADMP CCCC[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000174949754 528485894 /nfs/dbraw/zinc/48/58/94/528485894.db2.gz OVGZZTOFLTZDQC-ZDUSSCGKSA-N 2 1 212.381 2.450 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](C2CC2)C1 ZINC000400006187 528554154 /nfs/dbraw/zinc/55/41/54/528554154.db2.gz RLKLPELXYBQTEU-STQMWFEESA-N 2 1 210.365 2.092 20 0 BEADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2C[C@@H]2C)CC1 ZINC000488354936 528990351 /nfs/dbraw/zinc/99/03/51/528990351.db2.gz WYFWKMZAESQJGI-QWHCGFSZSA-N 2 1 224.392 2.447 20 0 BEADMP CC(C)[C@H](C)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000261532704 534955513 /nfs/dbraw/zinc/95/55/13/534955513.db2.gz CREYAENNOCTFLF-STQMWFEESA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)([NH3+])C[NH2+]Cc1cccc(Cl)c1 ZINC000261528571 535209282 /nfs/dbraw/zinc/20/92/82/535209282.db2.gz MCOJESONGBBFOJ-UHFFFAOYSA-N 2 1 212.724 2.167 20 0 BEADMP CC[C@@H](C)C[N@@H+](CC)C[C@]1(C)CC[NH2+]C1 ZINC000086440222 535510658 /nfs/dbraw/zinc/51/06/58/535510658.db2.gz YSMFLGKSOAHNRM-CHWSQXEVSA-N 2 1 212.381 2.354 20 0 BEADMP CC[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261536479 535820403 /nfs/dbraw/zinc/82/04/03/535820403.db2.gz RWNYEXCVPFQXRV-JHJVBQTASA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@]1(C)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261554799 535908421 /nfs/dbraw/zinc/90/84/21/535908421.db2.gz UPQHMGHJFJKKTG-CHWSQXEVSA-N 2 1 210.365 2.108 20 0 BEADMP CCc1ccccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261565580 535936961 /nfs/dbraw/zinc/93/69/61/535936961.db2.gz HSZXYQZIMWVNBK-HRCADAONSA-N 2 1 244.382 2.418 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000251378293 535937451 /nfs/dbraw/zinc/93/74/51/535937451.db2.gz SKLBFACROWMELS-RDBSUJKOSA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@@]1(C)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261554802 536048390 /nfs/dbraw/zinc/04/83/90/536048390.db2.gz UPQHMGHJFJKKTG-STQMWFEESA-N 2 1 210.365 2.108 20 0 BEADMP CC[C@H](C)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246158470 536123037 /nfs/dbraw/zinc/12/30/37/536123037.db2.gz CZETXKOTKWDPAU-AVGNSLFASA-N 2 1 212.381 2.447 20 0 BEADMP CC[C@H](C)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246158470 536123041 /nfs/dbraw/zinc/12/30/41/536123041.db2.gz CZETXKOTKWDPAU-AVGNSLFASA-N 2 1 212.381 2.447 20 0 BEADMP CC[C@H](C)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246158470 536123044 /nfs/dbraw/zinc/12/30/44/536123044.db2.gz CZETXKOTKWDPAU-AVGNSLFASA-N 2 1 212.381 2.447 20 0 BEADMP CC[C@H](C)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246158470 536123046 /nfs/dbraw/zinc/12/30/46/536123046.db2.gz CZETXKOTKWDPAU-AVGNSLFASA-N 2 1 212.381 2.447 20 0 BEADMP CC[C@H](CSC)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252730746 536127115 /nfs/dbraw/zinc/12/71/15/536127115.db2.gz MRYSGFNAQBSGMJ-AGIUHOORSA-N 2 1 242.432 2.344 20 0 BEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCCF)C1 ZINC000352011219 536180998 /nfs/dbraw/zinc/18/09/98/536180998.db2.gz ACTNQOWWZCJFML-AWEZNQCLSA-N 2 1 242.382 2.400 20 0 BEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCCF)C1 ZINC000352011219 536181003 /nfs/dbraw/zinc/18/10/03/536181003.db2.gz ACTNQOWWZCJFML-AWEZNQCLSA-N 2 1 242.382 2.400 20 0 BEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCCF)C1 ZINC000352011219 536181004 /nfs/dbraw/zinc/18/10/04/536181004.db2.gz ACTNQOWWZCJFML-AWEZNQCLSA-N 2 1 242.382 2.400 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000348204967 536389774 /nfs/dbraw/zinc/38/97/74/536389774.db2.gz VZRTUGDZVJDDRO-RWMBFGLXSA-N 2 1 222.376 2.059 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000348204967 536389775 /nfs/dbraw/zinc/38/97/75/536389775.db2.gz VZRTUGDZVJDDRO-RWMBFGLXSA-N 2 1 222.376 2.059 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000348204967 536389772 /nfs/dbraw/zinc/38/97/72/536389772.db2.gz VZRTUGDZVJDDRO-RWMBFGLXSA-N 2 1 222.376 2.059 20 0 BEADMP CCCSC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000892612543 582929158 /nfs/dbraw/zinc/92/91/58/582929158.db2.gz ARTMWRMCVYPGGB-OLZOCXBDSA-N 2 1 244.448 2.450 20 0 BEADMP COc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1C ZINC000261644286 536773707 /nfs/dbraw/zinc/77/37/07/536773707.db2.gz AMBUYKXAVCXQEB-OCCSQVGLSA-N 2 1 248.370 2.173 20 0 BEADMP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000261593405 536901508 /nfs/dbraw/zinc/90/15/08/536901508.db2.gz WUAHUPUVSXPRJM-VWYCJHECSA-N 2 1 222.332 2.082 20 0 BEADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000854227415 588780976 /nfs/dbraw/zinc/78/09/76/588780976.db2.gz OIFBMNZRKBMDOK-NRAUKZCXSA-N 2 1 242.366 2.324 20 0 BEADMP C[C@@H](CSC(C)(C)C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000854226247 588780651 /nfs/dbraw/zinc/78/06/51/588780651.db2.gz GEJGLJPMOSUTER-ZBOXLXRLSA-N 2 1 242.432 2.248 20 0 BEADMP C[N@H+]1CCC[C@@H]1CN1CCC[C@@]2(CC2(F)F)C1 ZINC000844445044 582587763 /nfs/dbraw/zinc/58/77/63/582587763.db2.gz XABPULMFXWRLOI-VXGBXAGGSA-N 2 1 244.329 2.202 20 0 BEADMP CN1CCC[C@@H]1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844445044 582587765 /nfs/dbraw/zinc/58/77/65/582587765.db2.gz XABPULMFXWRLOI-VXGBXAGGSA-N 2 1 244.329 2.202 20 0 BEADMP CN1CCC[C@@H]1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844445044 582587768 /nfs/dbraw/zinc/58/77/68/582587768.db2.gz XABPULMFXWRLOI-VXGBXAGGSA-N 2 1 244.329 2.202 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2C2CC2)CC1 ZINC000891934139 582740234 /nfs/dbraw/zinc/74/02/34/582740234.db2.gz WYPMUCBKTFYXPB-AWEZNQCLSA-N 2 1 222.376 2.203 20 0 BEADMP CC(C)Cc1ccc(C[NH2+]CCC[NH+](C)C)cn1 ZINC000892430007 582885780 /nfs/dbraw/zinc/88/57/80/582885780.db2.gz XUTRDFLBGWBZDP-UHFFFAOYSA-N 2 1 249.402 2.321 20 0 BEADMP CC[C@@H]1[C@@H](C)CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000893674299 583193451 /nfs/dbraw/zinc/19/34/51/583193451.db2.gz YUNFREATYGOHLA-GXTWGEPZSA-N 2 1 224.392 2.449 20 0 BEADMP Cc1coc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000893952118 583260047 /nfs/dbraw/zinc/26/00/47/583260047.db2.gz BGSMVZDROMKWIX-CYBMUJFWSA-N 2 1 236.359 2.362 20 0 BEADMP CC1=C(C)C[N@@H+](CC2CC[NH+](C)CC2)CC1 ZINC000894194907 583333527 /nfs/dbraw/zinc/33/35/27/583333527.db2.gz NLFKZDVHORRXHE-UHFFFAOYSA-N 2 1 222.376 2.370 20 0 BEADMP COc1ccc(C[N@@H+](C)CCCn2ccnc2)o1 ZINC000894475271 583469748 /nfs/dbraw/zinc/46/97/48/583469748.db2.gz ANKZDIDHQSMKJD-UHFFFAOYSA-N 2 1 249.314 2.007 20 0 BEADMP Cc1cc(C)cc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)c1 ZINC000647990348 583582438 /nfs/dbraw/zinc/58/24/38/583582438.db2.gz OLKWGUDBRSKZMC-AWEZNQCLSA-N 2 1 232.371 2.345 20 0 BEADMP CCC[N@@H+](CC1CC[NH+](C)CC1)C(C)C ZINC000895204878 583624880 /nfs/dbraw/zinc/62/48/80/583624880.db2.gz IMVCBKGUNOPYCJ-UHFFFAOYSA-N 2 1 212.381 2.449 20 0 BEADMP CCc1cc(N[C@H]2CC[N@@H+](C)[C@H]2C)nc(CC)n1 ZINC000895734393 583717013 /nfs/dbraw/zinc/71/70/13/583717013.db2.gz LSONOUXOLLJVJJ-JQWIXIFHSA-N 2 1 248.374 2.106 20 0 BEADMP CCc1cc(N[C@H]2CC[N@@H+](C)[C@@H]2C)nc(CC)n1 ZINC000895734395 583717236 /nfs/dbraw/zinc/71/72/36/583717236.db2.gz LSONOUXOLLJVJJ-PWSUYJOCSA-N 2 1 248.374 2.106 20 0 BEADMP CCc1ccc(NCC2CC[NH+](C)CC2)[nH+]c1 ZINC000896029214 583765778 /nfs/dbraw/zinc/76/57/78/583765778.db2.gz BFFMWYSUVQHUMI-UHFFFAOYSA-N 2 1 233.359 2.398 20 0 BEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000335912690 583790161 /nfs/dbraw/zinc/79/01/61/583790161.db2.gz SAPBBMBAMXBZRQ-STQMWFEESA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883429738 583808258 /nfs/dbraw/zinc/80/82/58/583808258.db2.gz CPOCJVUHIWFPHC-RYUDHWBXSA-N 2 1 240.391 2.051 20 0 BEADMP CCO[C@@H](C[NH2+]C[C@H](C)C(C)(C)C)C[NH+](C)C ZINC000896880217 583845278 /nfs/dbraw/zinc/84/52/78/583845278.db2.gz QXASNQUXAFAMMK-STQMWFEESA-N 2 1 244.423 2.225 20 0 BEADMP CCO[C@H](C[NH2+]C[C@H](C)C(C)(C)C)C[NH+](C)C ZINC000896880216 583845422 /nfs/dbraw/zinc/84/54/22/583845422.db2.gz QXASNQUXAFAMMK-QWHCGFSZSA-N 2 1 244.423 2.225 20 0 BEADMP CCO[C@@H](C[NH2+]C[C@H](C)CC(C)C)C[NH+](C)C ZINC000896880494 583845478 /nfs/dbraw/zinc/84/54/78/583845478.db2.gz WVKSPKIPUBGMOA-KGLIPLIRSA-N 2 1 244.423 2.225 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2C=CCC2)CC1(C)C ZINC000858189905 588937993 /nfs/dbraw/zinc/93/79/93/588937993.db2.gz YXLBHGNGOSXQOE-NWDGAFQWSA-N 2 1 208.349 2.167 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C2CC2)CC[N@H+]1C ZINC000897437951 583983810 /nfs/dbraw/zinc/98/38/10/583983810.db2.gz QEFXKVLKTQNATL-DGCLKSJQSA-N 2 1 224.392 2.495 20 0 BEADMP C1[C@H]2CCC[C@@H]2[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000897955448 584065441 /nfs/dbraw/zinc/06/54/41/584065441.db2.gz UVAGLQKMQOTMSJ-MRLBHPIUSA-N 2 1 234.387 2.391 20 0 BEADMP C1CC1[NH+]1CCC([NH2+][C@H]2C[C@H]3CCC[C@H]32)CC1 ZINC000897957074 584065830 /nfs/dbraw/zinc/06/58/30/584065830.db2.gz BCSCTZCSURPQEO-DFBGVHRSSA-N 2 1 234.387 2.391 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H]32)CC1 ZINC000897955960 584065967 /nfs/dbraw/zinc/06/59/67/584065967.db2.gz ZMHCURJZDTUNLK-KWCYVHTRSA-N 2 1 222.376 2.249 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)CC1 ZINC000897955959 584065995 /nfs/dbraw/zinc/06/59/95/584065995.db2.gz ZMHCURJZDTUNLK-IACUBPJLSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1CC=CC[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000898224397 584102553 /nfs/dbraw/zinc/10/25/53/584102553.db2.gz WCNUZFIWIMWGCW-YIYPIFLZSA-N 2 1 222.376 2.413 20 0 BEADMP C[C@@H]1CC=CC[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000898224397 584102554 /nfs/dbraw/zinc/10/25/54/584102554.db2.gz WCNUZFIWIMWGCW-YIYPIFLZSA-N 2 1 222.376 2.413 20 0 BEADMP C[NH+]1CCC([NH2+][C@H](c2ccncc2)C2CC2)CC1 ZINC000898321743 584107057 /nfs/dbraw/zinc/10/70/57/584107057.db2.gz COISOKVELNKSKB-HNNXBMFYSA-N 2 1 245.370 2.217 20 0 BEADMP CCSCC[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC000898308220 584109542 /nfs/dbraw/zinc/10/95/42/584109542.db2.gz SQDXHCMHXYTYQP-UHFFFAOYSA-N 2 1 232.437 2.259 20 0 BEADMP C[N@H+](Cc1ccc2cc[nH]c2c1)CC(C)(C)[NH3+] ZINC000873224902 584127398 /nfs/dbraw/zinc/12/73/98/584127398.db2.gz KBWPTKLGARNUCE-UHFFFAOYSA-N 2 1 231.343 2.337 20 0 BEADMP C[N@@H+](Cc1ccc2cc[nH]c2c1)CC(C)(C)[NH3+] ZINC000873224902 584127401 /nfs/dbraw/zinc/12/74/01/584127401.db2.gz KBWPTKLGARNUCE-UHFFFAOYSA-N 2 1 231.343 2.337 20 0 BEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000858490872 588960090 /nfs/dbraw/zinc/96/00/90/588960090.db2.gz RILDURTXFMOXBB-VHDGCEQUSA-N 2 1 236.403 2.497 20 0 BEADMP CNc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000902224694 584541288 /nfs/dbraw/zinc/54/12/88/584541288.db2.gz RZBKFUOZVMTZON-CYBMUJFWSA-N 2 1 247.386 2.160 20 0 BEADMP Cc1cccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)n1 ZINC000902320683 584552149 /nfs/dbraw/zinc/55/21/49/584552149.db2.gz RCHLZLXJBJXGMJ-ZDUSSCGKSA-N 2 1 247.386 2.258 20 0 BEADMP [NH3+]C1(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000902406021 584573898 /nfs/dbraw/zinc/57/38/98/584573898.db2.gz KDSOUSNAAASHSJ-GJZGRUSLSA-N 2 1 244.382 2.479 20 0 BEADMP NC1(C[NH2+][C@H]2CCCc3ccccc3C2)CC1 ZINC000902407096 584574047 /nfs/dbraw/zinc/57/40/47/584574047.db2.gz PHEVXXKKAQRZAS-AWEZNQCLSA-N 2 1 230.355 2.015 20 0 BEADMP CCc1ccc([C@@H](C)[NH2+]CC2([NH3+])CC2)s1 ZINC000902415426 584589969 /nfs/dbraw/zinc/58/99/69/584589969.db2.gz NSQYYQBGNLMXIN-SECBINFHSA-N 2 1 224.373 2.452 20 0 BEADMP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC1([NH3+])CC1 ZINC000902416275 584590338 /nfs/dbraw/zinc/59/03/38/584590338.db2.gz MLUMKHRMPTWXLJ-QWRGUYRKSA-N 2 1 210.365 2.282 20 0 BEADMP CC[C@H](Cc1ccc(C)cc1)[NH2+]CC1([NH3+])CC1 ZINC000902416939 584590944 /nfs/dbraw/zinc/59/09/44/584590944.db2.gz PUTFOWBXJIUNDC-CQSZACIVSA-N 2 1 232.371 2.397 20 0 BEADMP CCC1(C)CCC([NH2+]CC2([NH3+])CC2)CC1 ZINC000902418085 584591643 /nfs/dbraw/zinc/59/16/43/584591643.db2.gz VILVKXPUVRICEV-UHFFFAOYSA-N 2 1 210.365 2.426 20 0 BEADMP Cc1cccc2c1CC[C@@H]2[NH2+]CC1([NH3+])CC1 ZINC000902418216 584591911 /nfs/dbraw/zinc/59/19/11/584591911.db2.gz WPUOYDVCXCZQJC-ZDUSSCGKSA-N 2 1 216.328 2.063 20 0 BEADMP COc1ccc(CC[C@@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902415074 584600945 /nfs/dbraw/zinc/60/09/45/584600945.db2.gz KSNAMERNSPVCGP-GFCCVEGCSA-N 2 1 248.370 2.097 20 0 BEADMP CC1(C)C[C@@H]([NH2+]CC2([NH3+])CC2)c2ccccc21 ZINC000902415127 584601342 /nfs/dbraw/zinc/60/13/42/584601342.db2.gz BMXLDQRPIIMFNR-CYBMUJFWSA-N 2 1 230.355 2.490 20 0 BEADMP CC[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc2c(c1)CCO2 ZINC000902415169 584601496 /nfs/dbraw/zinc/60/14/96/584601496.db2.gz CDQGLTZUNHIKNA-CYBMUJFWSA-N 2 1 246.354 2.154 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000902452126 584607654 /nfs/dbraw/zinc/60/76/54/584607654.db2.gz IWACFQXAUYSHIK-UPJWGTAASA-N 2 1 222.376 2.297 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCSC(C)(C)C1 ZINC000902452944 584607855 /nfs/dbraw/zinc/60/78/55/584607855.db2.gz NQJDZLPBYVBYJI-SDDRHHMPSA-N 2 1 242.432 2.391 20 0 BEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cncs1 ZINC000902453442 584607916 /nfs/dbraw/zinc/60/79/16/584607916.db2.gz CXWGXUXSVPIUDG-GKDVJIACSA-N 2 1 237.372 2.077 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCSC(C)(C)C1 ZINC000902452947 584608003 /nfs/dbraw/zinc/60/80/03/584608003.db2.gz NQJDZLPBYVBYJI-SRVKXCTJSA-N 2 1 242.432 2.391 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000902452940 584608012 /nfs/dbraw/zinc/60/80/12/584608012.db2.gz NQJDZLPBYVBYJI-QJPTWQEYSA-N 2 1 242.432 2.391 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000902452836 584608023 /nfs/dbraw/zinc/60/80/23/584608023.db2.gz MLLLUVHIPXCTPJ-UTUOFQBUSA-N 2 1 242.432 2.248 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]21)c1c[nH+]ccc1N ZINC000902454373 584608559 /nfs/dbraw/zinc/60/85/59/584608559.db2.gz HGPFAQCHXQPEJQ-ICUOPCATSA-N 2 1 231.343 2.333 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000902453650 584608922 /nfs/dbraw/zinc/60/89/22/584608922.db2.gz DHFVBKPNYUQPDL-IJLUTSLNSA-N 2 1 246.345 2.400 20 0 BEADMP C([NH2+][C@H]1CCCSC1)[C@H]1CCCCC[NH2+]1 ZINC000902485281 584624546 /nfs/dbraw/zinc/62/45/46/584624546.db2.gz ZEHYHNRAOHIGHT-NEPJUHHUSA-N 2 1 228.405 2.004 20 0 BEADMP CNc1ccc(C)cc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000902571283 584636113 /nfs/dbraw/zinc/63/61/13/584636113.db2.gz HDBOZKJEBABAEV-ZDUSSCGKSA-N 2 1 249.402 2.324 20 0 BEADMP CNc1ccccc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000902571682 584636309 /nfs/dbraw/zinc/63/63/09/584636309.db2.gz LSSUKEXGLAIPPH-LBPRGKRZSA-N 2 1 235.375 2.016 20 0 BEADMP CC(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903055821 584722007 /nfs/dbraw/zinc/72/20/07/584722007.db2.gz MFSZPJGRWFUSBK-QXMXGUDHSA-N 2 1 222.376 2.390 20 0 BEADMP CC[N@@H+](CCc1ccccc1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903430939 584761402 /nfs/dbraw/zinc/76/14/02/584761402.db2.gz JUGUFHCKMBCLKG-ZBFHGGJFSA-N 2 1 246.398 2.407 20 0 BEADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C(C1CC1)C1CC1 ZINC000903432816 584761936 /nfs/dbraw/zinc/76/19/36/584761936.db2.gz LPAAUSURWHQDDU-MFKMUULPSA-N 2 1 222.376 2.234 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000903442206 584767062 /nfs/dbraw/zinc/76/70/62/584767062.db2.gz KIWWNHANWCGOHU-IPYPFGDCSA-N 2 1 245.370 2.074 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]2c2ccccn2)C1 ZINC000903442213 584767152 /nfs/dbraw/zinc/76/71/52/584767152.db2.gz KXULJCGIHFUAFZ-GUTXKFCHSA-N 2 1 245.370 2.346 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C/C=C\Cl)[C@@H]2CCC[C@@H]21 ZINC000903443515 584768532 /nfs/dbraw/zinc/76/85/32/584768532.db2.gz HSZBAFZEITXKRQ-DHBYLJOMSA-N 2 1 228.767 2.201 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903447139 584770787 /nfs/dbraw/zinc/77/07/87/584770787.db2.gz GOFGYSHYKISOQK-SMDDNHRTSA-N 2 1 243.354 2.337 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000903453908 584772857 /nfs/dbraw/zinc/77/28/57/584772857.db2.gz PCZREMFLPYEYBR-HZSPNIEDSA-N 2 1 222.376 2.108 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000903453836 584773028 /nfs/dbraw/zinc/77/30/28/584773028.db2.gz NJEYFYSEIRDEMP-TUVASFSCSA-N 2 1 236.403 2.354 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000903454408 584773520 /nfs/dbraw/zinc/77/35/20/584773520.db2.gz BMKCVGOQTGQBPZ-RXGFPQBGSA-N 2 1 210.365 2.009 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000903454129 584773551 /nfs/dbraw/zinc/77/35/51/584773551.db2.gz VNFPXWVCVABOPR-QPSCCSFWSA-N 2 1 236.403 2.497 20 0 BEADMP C[N@@H+](C[C@H]1CCCC[NH2+]C1)C(C1CC1)C1CC1 ZINC000903727314 584793236 /nfs/dbraw/zinc/79/32/36/584793236.db2.gz SGESEHOSKJGGQH-LBPRGKRZSA-N 2 1 236.403 2.497 20 0 BEADMP CC1CC(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000903748906 584794815 /nfs/dbraw/zinc/79/48/15/584794815.db2.gz CUUQQBJNKKENCY-WUCCLRPBSA-N 2 1 236.403 2.354 20 0 BEADMP Cc1cc(C)nc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)c1 ZINC000903751399 584795483 /nfs/dbraw/zinc/79/54/83/584795483.db2.gz DTOLIDUJHZZQQW-AWEZNQCLSA-N 2 1 247.386 2.176 20 0 BEADMP CC1CC(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000903740887 584795920 /nfs/dbraw/zinc/79/59/20/584795920.db2.gz LTJDSCSDCWYTFY-NEXFUWMNSA-N 2 1 236.403 2.497 20 0 BEADMP FC1(F)C[C@@]12CC[N@@H+](C[C@H]1CCCC[NH2+]C1)C2 ZINC000903768791 584798143 /nfs/dbraw/zinc/79/81/43/584798143.db2.gz QVVYUOSUXMZFHI-NWDGAFQWSA-N 2 1 244.329 2.107 20 0 BEADMP CC1CC(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000903780122 584799797 /nfs/dbraw/zinc/79/97/97/584799797.db2.gz DJEQCZULVTYTJG-NWINJMCUSA-N 2 1 222.376 2.106 20 0 BEADMP CC1CC(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000903780122 584799799 /nfs/dbraw/zinc/79/97/99/584799799.db2.gz DJEQCZULVTYTJG-NWINJMCUSA-N 2 1 222.376 2.106 20 0 BEADMP C1=CC[C@@H]2C[N@H+](C[C@@H]3CCCC[NH2+]C3)C[C@@H]2C1 ZINC000903778044 584799907 /nfs/dbraw/zinc/79/99/07/584799907.db2.gz JFYAOWZPFTYNKU-KFWWJZLASA-N 2 1 234.387 2.274 20 0 BEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC=C(Cl)Cl)C2 ZINC000903842373 584804304 /nfs/dbraw/zinc/80/43/04/584804304.db2.gz NDCGZOPGFPYMGV-YIZRAAEISA-N 2 1 235.158 2.117 20 0 BEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC=C(Cl)Cl)C2 ZINC000903842373 584804306 /nfs/dbraw/zinc/80/43/06/584804306.db2.gz NDCGZOPGFPYMGV-YIZRAAEISA-N 2 1 235.158 2.117 20 0 BEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCC1CCCC1 ZINC000903856899 584810117 /nfs/dbraw/zinc/81/01/17/584810117.db2.gz SJXYRTFCBFRTBN-ZIAGYGMSSA-N 2 1 222.376 2.380 20 0 BEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCC1CCCC1 ZINC000903856899 584810118 /nfs/dbraw/zinc/81/01/18/584810118.db2.gz SJXYRTFCBFRTBN-ZIAGYGMSSA-N 2 1 222.376 2.380 20 0 BEADMP CC(F)(F)CCC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903858134 584810124 /nfs/dbraw/zinc/81/01/24/584810124.db2.gz HFYWIHGNCXIREB-CMPLNLGQSA-N 2 1 232.318 2.235 20 0 BEADMP CC(F)(F)CCC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903858134 584810125 /nfs/dbraw/zinc/81/01/25/584810125.db2.gz HFYWIHGNCXIREB-CMPLNLGQSA-N 2 1 232.318 2.235 20 0 BEADMP Cc1ccccc1C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903859091 584811369 /nfs/dbraw/zinc/81/13/69/584811369.db2.gz ZUKDXSMFRUADLG-LSDHHAIUSA-N 2 1 230.355 2.308 20 0 BEADMP Cc1ccccc1C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903859091 584811370 /nfs/dbraw/zinc/81/13/70/584811370.db2.gz ZUKDXSMFRUADLG-LSDHHAIUSA-N 2 1 230.355 2.308 20 0 BEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@@H]1CCC(F)(F)C1 ZINC000903861803 584811954 /nfs/dbraw/zinc/81/19/54/584811954.db2.gz YFTSYNGDPOIKIS-IJLUTSLNSA-N 2 1 244.329 2.235 20 0 BEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@@H]1CCC(F)(F)C1 ZINC000903861803 584811955 /nfs/dbraw/zinc/81/19/55/584811955.db2.gz YFTSYNGDPOIKIS-IJLUTSLNSA-N 2 1 244.329 2.235 20 0 BEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCCC1CCC1 ZINC000903860320 584812544 /nfs/dbraw/zinc/81/25/44/584812544.db2.gz QTPIKXDUYMRZEM-KBPBESRZSA-N 2 1 222.376 2.380 20 0 BEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCCC1CCC1 ZINC000903860320 584812545 /nfs/dbraw/zinc/81/25/45/584812545.db2.gz QTPIKXDUYMRZEM-KBPBESRZSA-N 2 1 222.376 2.380 20 0 BEADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903872282 584815373 /nfs/dbraw/zinc/81/53/73/584815373.db2.gz YGSBZOAJFBGTFW-ZIAGYGMSSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@]1(C2CC2)COCC[N@H+]1CCCCCC[NH3+] ZINC000903883662 584818367 /nfs/dbraw/zinc/81/83/67/584818367.db2.gz ZBEGIYANTBHGCQ-CQSZACIVSA-N 2 1 240.391 2.006 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]([NH3+])CC(F)F)[C@@H]2CCCC[C@@H]21 ZINC000903903512 584820824 /nfs/dbraw/zinc/82/08/24/584820824.db2.gz UXFQUUBPMLZLGQ-DDHJBXDOSA-N 2 1 246.345 2.479 20 0 BEADMP CC(C)c1cnc(C[NH2+]CCC(C)(C)[NH3+])s1 ZINC000903939179 584823086 /nfs/dbraw/zinc/82/30/86/584823086.db2.gz SXFVYTHDKZBPCA-UHFFFAOYSA-N 2 1 241.404 2.484 20 0 BEADMP C[C@@H]1CC(C)(C)C[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903929182 584824238 /nfs/dbraw/zinc/82/42/38/584824238.db2.gz BMZXJIGGAGSABT-BDAKNGLRSA-N 2 1 220.307 2.089 20 0 BEADMP C[N@@H+](C[C@@H]1CC1(C)C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903932959 584824740 /nfs/dbraw/zinc/82/47/40/584824740.db2.gz IMPZCIDVLGNXAQ-PBNFFQIGSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC(C)(C)[NH3+] ZINC000903939436 584825365 /nfs/dbraw/zinc/82/53/65/584825365.db2.gz HKQSTWLKVZNXHO-CHWSQXEVSA-N 3 1 241.423 2.014 20 0 BEADMP COc1cccc(C[NH2+]CCC(C)(C)[NH3+])c1F ZINC000903939004 584825883 /nfs/dbraw/zinc/82/58/83/584825883.db2.gz BEFQDXTZRBWELR-UHFFFAOYSA-N 2 1 240.322 2.051 20 0 BEADMP C[C@H](C[NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1 ZINC000903964041 584833992 /nfs/dbraw/zinc/83/39/92/584833992.db2.gz KAHNOTNYOUKPRT-JTNHKYCSSA-N 2 1 236.334 2.127 20 0 BEADMP CCC[N@@H+](C)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904307710 584862478 /nfs/dbraw/zinc/86/24/78/584862478.db2.gz UIBROLKOMLRUPP-NSHDSACASA-N 2 1 200.370 2.482 20 0 BEADMP CC(C)(C)[C@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904317481 584864021 /nfs/dbraw/zinc/86/40/21/584864021.db2.gz ZEKOXOARYRTTMR-GRYCIOLGSA-N 2 1 210.365 2.234 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@@H+](CC2CC2)CC2CCC2)C1 ZINC000904350381 584869118 /nfs/dbraw/zinc/86/91/18/584869118.db2.gz KBGWLZDFSSIOCA-OKILXGFUSA-N 2 1 222.376 2.236 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@](F)(c3ccccc3)C2)C1 ZINC000904350979 584869542 /nfs/dbraw/zinc/86/95/42/584869542.db2.gz SSSZQHNVFITXLZ-VHDGCEQUSA-N 2 1 248.345 2.294 20 0 BEADMP C[N@@H+](C[C@@H]1CC1(C)C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904378496 584876073 /nfs/dbraw/zinc/87/60/73/584876073.db2.gz DVBXQPRSLZWICC-JSGCOSHPSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccsc2)CC[C@H]1C[NH3+] ZINC000904410876 584879007 /nfs/dbraw/zinc/87/90/07/584879007.db2.gz HBLFFCDXSVGHKK-PWSUYJOCSA-N 2 1 224.373 2.165 20 0 BEADMP COc1ccccc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904411856 584879488 /nfs/dbraw/zinc/87/94/88/584879488.db2.gz OLYMYHISTWAKOF-CHWSQXEVSA-N 2 1 248.370 2.112 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2cccs2)CC[C@@H]1C[NH3+] ZINC000904412786 584879674 /nfs/dbraw/zinc/87/96/74/584879674.db2.gz XTGVCKCWFCJMGY-GHMZBOCLSA-N 2 1 224.373 2.165 20 0 BEADMP CSCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000134023360 584944682 /nfs/dbraw/zinc/94/46/82/584944682.db2.gz ZRVXCJCKIIBMDI-SRVKXCTJSA-N 2 1 230.421 2.200 20 0 BEADMP CSCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000134023360 584944683 /nfs/dbraw/zinc/94/46/83/584944683.db2.gz ZRVXCJCKIIBMDI-SRVKXCTJSA-N 2 1 230.421 2.200 20 0 BEADMP CSCCCCCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000817921847 584991172 /nfs/dbraw/zinc/99/11/72/584991172.db2.gz JBQPJKGZGABRKG-CHWSQXEVSA-N 2 1 244.448 2.497 20 0 BEADMP Cc1cccc(C[N@@H+](C)CC2CC[NH+](C)CC2)n1 ZINC000738312313 585042794 /nfs/dbraw/zinc/04/27/94/585042794.db2.gz PGURMQXNAKLKCR-UHFFFAOYSA-N 2 1 247.386 2.164 20 0 BEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CC(C(F)F)C2)C1 ZINC000839183211 585096618 /nfs/dbraw/zinc/09/66/18/585096618.db2.gz UWYCUEQGVCMOAA-UNXYVOJBSA-N 2 1 246.345 2.352 20 0 BEADMP C[C@@H]1CC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000839183332 585096838 /nfs/dbraw/zinc/09/68/38/585096838.db2.gz WMLNHWITVFCXMH-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc[nH]1 ZINC000773120670 585631616 /nfs/dbraw/zinc/63/16/16/585631616.db2.gz QLZHPSZGXXWUBN-RWMBFGLXSA-N 2 1 233.359 2.292 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc[nH]1 ZINC000773120670 585631617 /nfs/dbraw/zinc/63/16/17/585631617.db2.gz QLZHPSZGXXWUBN-RWMBFGLXSA-N 2 1 233.359 2.292 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc[nH]1 ZINC000773120668 585631647 /nfs/dbraw/zinc/63/16/47/585631647.db2.gz QLZHPSZGXXWUBN-AVGNSLFASA-N 2 1 233.359 2.292 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc[nH]1 ZINC000773120668 585631648 /nfs/dbraw/zinc/63/16/48/585631648.db2.gz QLZHPSZGXXWUBN-AVGNSLFASA-N 2 1 233.359 2.292 20 0 BEADMP C[C@H]([N@@H+](C)CC1CC[NH+](C)CC1)C1(C)CC1 ZINC000782184102 585810811 /nfs/dbraw/zinc/81/08/11/585810811.db2.gz QVSQWNBIKBLKCX-LBPRGKRZSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C2CC2)C1 ZINC000782185542 585810816 /nfs/dbraw/zinc/81/08/16/585810816.db2.gz HGSNFLPSTGCFKQ-CHWSQXEVSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C2CC2)C1 ZINC000782185542 585810817 /nfs/dbraw/zinc/81/08/17/585810817.db2.gz HGSNFLPSTGCFKQ-CHWSQXEVSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C2CC2)C1 ZINC000782185542 585810818 /nfs/dbraw/zinc/81/08/18/585810818.db2.gz HGSNFLPSTGCFKQ-CHWSQXEVSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@H](C1CC1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000782184871 585810926 /nfs/dbraw/zinc/81/09/26/585810926.db2.gz GPJOHAPBEWCBOF-TZMCWYRMSA-N 2 1 236.403 2.449 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C2CC2)C1 ZINC000782191549 585811809 /nfs/dbraw/zinc/81/18/09/585811809.db2.gz XAVGKFIIMJSRHD-VXGBXAGGSA-N 2 1 210.365 2.059 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C2CC2)C1 ZINC000782191549 585811810 /nfs/dbraw/zinc/81/18/10/585811810.db2.gz XAVGKFIIMJSRHD-VXGBXAGGSA-N 2 1 210.365 2.059 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C2CC2)C1 ZINC000782191549 585811811 /nfs/dbraw/zinc/81/18/11/585811811.db2.gz XAVGKFIIMJSRHD-VXGBXAGGSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000810245109 586537318 /nfs/dbraw/zinc/53/73/18/586537318.db2.gz RQUBYOQKQUMQMK-IHRRRGAJSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000810245109 586537319 /nfs/dbraw/zinc/53/73/19/586537319.db2.gz RQUBYOQKQUMQMK-IHRRRGAJSA-N 2 1 242.407 2.120 20 0 BEADMP CCC(CC)(C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)SC ZINC000817900547 586835732 /nfs/dbraw/zinc/83/57/32/586835732.db2.gz PTIJLJWLEVHQFO-VXGBXAGGSA-N 2 1 244.448 2.496 20 0 BEADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccnc(Cl)c1 ZINC000817937678 586844564 /nfs/dbraw/zinc/84/45/64/586844564.db2.gz ZLWQGLKPKFAVHI-VIFPVBQESA-N 2 1 239.750 2.138 20 0 BEADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000817950695 586847506 /nfs/dbraw/zinc/84/75/06/586847506.db2.gz XGBYMRYTYFGEFG-RWMBFGLXSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc2c(c1)CCO2 ZINC000817959102 586851560 /nfs/dbraw/zinc/85/15/60/586851560.db2.gz CGKIJAZJVNYGFR-HZMBPMFUSA-N 2 1 246.354 2.009 20 0 BEADMP CCOc1cccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000817961198 586852323 /nfs/dbraw/zinc/85/23/23/586852323.db2.gz VIUXKGPQVDZBSV-NHYWBVRUSA-N 2 1 248.370 2.473 20 0 BEADMP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000817967539 586856288 /nfs/dbraw/zinc/85/62/88/586856288.db2.gz KCQFCYCMQFHVKO-QJPTWQEYSA-N 2 1 244.448 2.494 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000817969943 586856313 /nfs/dbraw/zinc/85/63/13/586856313.db2.gz IKNBHNRUNIMTEZ-ZDEQEGDKSA-N 2 1 210.365 2.282 20 0 BEADMP C[C@H](CSC(C)(C)C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000817967541 586856366 /nfs/dbraw/zinc/85/63/66/586856366.db2.gz KCQFCYCMQFHVKO-TUAOUCFPSA-N 2 1 244.448 2.494 20 0 BEADMP CC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccc2c(c1)CCCO2 ZINC000817969645 586856733 /nfs/dbraw/zinc/85/67/33/586856733.db2.gz FSCNQIXEZYPQKA-FZMZJTMJSA-N 2 1 248.370 2.400 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccc2c(c1)CCCO2 ZINC000817974051 586860572 /nfs/dbraw/zinc/86/05/72/586860572.db2.gz XNLKDPCCZFRHBQ-BXUZGUMPSA-N 2 1 248.370 2.400 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000817979154 586861950 /nfs/dbraw/zinc/86/19/50/586861950.db2.gz IGVPBYZZNVKORJ-GXFFZTMASA-N 2 1 234.343 2.009 20 0 BEADMP Clc1cc(C[N@@H+]2CCc3nc[nH]c3C2)ccn1 ZINC000821271162 587104461 /nfs/dbraw/zinc/10/44/61/587104461.db2.gz PQEAUULVBYJKJX-UHFFFAOYSA-N 2 1 248.717 2.016 20 0 BEADMP Clc1cc(C[N@H+]2CCc3nc[nH]c3C2)ccn1 ZINC000821271162 587104462 /nfs/dbraw/zinc/10/44/62/587104462.db2.gz PQEAUULVBYJKJX-UHFFFAOYSA-N 2 1 248.717 2.016 20 0 BEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C1CC1 ZINC000825126946 587306103 /nfs/dbraw/zinc/30/61/03/587306103.db2.gz ULJYWBSNIIWPBA-XJFOESAGSA-N 2 1 222.376 2.105 20 0 BEADMP C[N@@H+](CCCC[NH2+]Cc1ccoc1)C1CC1 ZINC000835061263 587779815 /nfs/dbraw/zinc/77/98/15/587779815.db2.gz GREIXLJLZDENPP-UHFFFAOYSA-N 2 1 222.332 2.244 20 0 BEADMP [NH3+]C[C@@H]([NH2+]C1CCCCCCC1)C1CC1 ZINC000841029200 587934987 /nfs/dbraw/zinc/93/49/87/587934987.db2.gz VVROBHHPQKSCPO-CYBMUJFWSA-N 2 1 210.365 2.426 20 0 BEADMP [NH3+][C@@H](C[NH2+]Cc1cnc2ccccc2c1)C1CC1 ZINC000841050945 587939983 /nfs/dbraw/zinc/93/99/83/587939983.db2.gz LDPOXUUJWAHFHR-AWEZNQCLSA-N 2 1 241.338 2.062 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccnc2Cl)C1 ZINC000841055777 587940331 /nfs/dbraw/zinc/94/03/31/587940331.db2.gz WFQFCFJEDYPUBY-MNOVXSKESA-N 2 1 239.750 2.095 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000841076885 587943931 /nfs/dbraw/zinc/94/39/31/587943931.db2.gz RZTHYHALRZYSIJ-QWRGUYRKSA-N 2 1 248.370 2.225 20 0 BEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCc1cccs1 ZINC000842476762 588030129 /nfs/dbraw/zinc/03/01/29/588030129.db2.gz VBQKHRJCUZGDRA-NTZNESFSSA-N 2 1 238.400 2.267 20 0 BEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCCCF ZINC000843360139 588104295 /nfs/dbraw/zinc/10/42/95/588104295.db2.gz AUXYWTYAGGJARF-YHWZYXNKSA-N 2 1 228.355 2.470 20 0 BEADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844453235 588195810 /nfs/dbraw/zinc/19/58/10/588195810.db2.gz OEUZGLGERIWWHU-SDDRHHMPSA-N 2 1 244.329 2.058 20 0 BEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844453235 588195811 /nfs/dbraw/zinc/19/58/11/588195811.db2.gz OEUZGLGERIWWHU-SDDRHHMPSA-N 2 1 244.329 2.058 20 0 BEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844453235 588195812 /nfs/dbraw/zinc/19/58/12/588195812.db2.gz OEUZGLGERIWWHU-SDDRHHMPSA-N 2 1 244.329 2.058 20 0 BEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844453235 588195813 /nfs/dbraw/zinc/19/58/13/588195813.db2.gz OEUZGLGERIWWHU-SDDRHHMPSA-N 2 1 244.329 2.058 20 0 BEADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844453237 588195935 /nfs/dbraw/zinc/19/59/35/588195935.db2.gz OEUZGLGERIWWHU-UTUOFQBUSA-N 2 1 244.329 2.058 20 0 BEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844453237 588195937 /nfs/dbraw/zinc/19/59/37/588195937.db2.gz OEUZGLGERIWWHU-UTUOFQBUSA-N 2 1 244.329 2.058 20 0 BEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844453237 588195939 /nfs/dbraw/zinc/19/59/39/588195939.db2.gz OEUZGLGERIWWHU-UTUOFQBUSA-N 2 1 244.329 2.058 20 0 BEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844453237 588195941 /nfs/dbraw/zinc/19/59/41/588195941.db2.gz OEUZGLGERIWWHU-UTUOFQBUSA-N 2 1 244.329 2.058 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000844901689 588218961 /nfs/dbraw/zinc/21/89/61/588218961.db2.gz HWHLYBHVMLAFOZ-CYBMUJFWSA-N 2 1 244.382 2.346 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@H]1CCC=CO1 ZINC000845996034 588252779 /nfs/dbraw/zinc/25/27/79/588252779.db2.gz JJVZFLAZDWOLPL-CQSZACIVSA-N 2 1 240.391 2.247 20 0 BEADMP [NH3+]CCCCCC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000846221043 588261373 /nfs/dbraw/zinc/26/13/73/588261373.db2.gz RERVLTWNIYRXEE-AWEZNQCLSA-N 3 1 241.423 2.003 20 0 BEADMP CC[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000108324264 588460643 /nfs/dbraw/zinc/46/06/43/588460643.db2.gz BHADWANLCZZVIL-STQMWFEESA-N 2 1 210.365 2.108 20 0 BEADMP C(CC1CCC1)C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000852750678 588700075 /nfs/dbraw/zinc/70/00/75/588700075.db2.gz BZYGFEXHLPDGCA-CQSZACIVSA-N 2 1 222.376 2.395 20 0 BEADMP C(CC1CCC1)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000852750678 588700076 /nfs/dbraw/zinc/70/00/76/588700076.db2.gz BZYGFEXHLPDGCA-CQSZACIVSA-N 2 1 222.376 2.395 20 0 BEADMP C[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C1CC(F)(F)C1 ZINC000862271959 589198276 /nfs/dbraw/zinc/19/82/76/589198276.db2.gz GKUMHMCBKZFXLS-JOYOIKCWSA-N 2 1 246.345 2.350 20 0 BEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000863546710 589296296 /nfs/dbraw/zinc/29/62/96/589296296.db2.gz MZVLZKLQHUQNNS-VOAKCMCISA-N 2 1 210.365 2.151 20 0 BEADMP C[C@@H]([NH3+])C[N@H+](C)CC[C@@H]1CCc2ccccc21 ZINC000863569129 589300223 /nfs/dbraw/zinc/30/02/23/589300223.db2.gz SDFTWCNTNVEOCI-OCCSQVGLSA-N 2 1 232.371 2.386 20 0 BEADMP C[C@@H]([NH3+])C[N@@H+](C)CC[C@@H]1CCc2ccccc21 ZINC000863569129 589300228 /nfs/dbraw/zinc/30/02/28/589300228.db2.gz SDFTWCNTNVEOCI-OCCSQVGLSA-N 2 1 232.371 2.386 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](SC)C2)[C@H](C)C1 ZINC000866486621 589496664 /nfs/dbraw/zinc/49/66/64/589496664.db2.gz MPAZCTVLTBBWCJ-FDYHWXHSSA-N 2 1 242.432 2.200 20 0 BEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccccn2)C1 ZINC000866705933 589514702 /nfs/dbraw/zinc/51/47/02/589514702.db2.gz JTGYQAVPNUOTAS-OAHLLOKOSA-N 2 1 247.386 2.279 20 0 BEADMP COCCCC[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866707826 589514831 /nfs/dbraw/zinc/51/48/31/589514831.db2.gz XACJOSFPNBNCSL-CQSZACIVSA-N 2 1 242.407 2.110 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)SC)[C@H](C)C1 ZINC000122160331 589558025 /nfs/dbraw/zinc/55/80/25/589558025.db2.gz GREXUTXZCBMEMX-VXGBXAGGSA-N 2 1 244.448 2.448 20 0 BEADMP C[N@H+]1CCC[C@H](CNc2cc[nH+]cc2C2CC2)C1 ZINC000872447758 589940398 /nfs/dbraw/zinc/94/03/98/589940398.db2.gz ARYBYRFDPWITLH-GFCCVEGCSA-N 2 1 245.370 2.135 20 0 BEADMP CC[N@H+]1CCN(c2cc[nH+]cc2C2CC2)C[C@@H]1C ZINC000872492132 589944370 /nfs/dbraw/zinc/94/43/70/589944370.db2.gz CLHTUCODGWBRLZ-LBPRGKRZSA-N 2 1 245.370 2.489 20 0 BEADMP COCCC[C@H](C)[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873236921 590004527 /nfs/dbraw/zinc/00/45/27/590004527.db2.gz KTKJSOPWXMYLEB-STQMWFEESA-N 2 1 242.407 2.169 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)C(C)(F)F ZINC000873253150 590009602 /nfs/dbraw/zinc/00/96/02/590009602.db2.gz UMYAYTPPYCUPJB-VHSXEESVSA-N 2 1 234.334 2.255 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]C[C@H]2CC2(Cl)Cl)CC1 ZINC000877137900 590291200 /nfs/dbraw/zinc/29/12/00/590291200.db2.gz FAZDRPBFTNJRFR-SNVBAGLBSA-N 2 1 249.185 2.032 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)CC[C@H]21 ZINC000877736740 590404246 /nfs/dbraw/zinc/40/42/46/590404246.db2.gz AUFGUKWEZKCBGS-UXXRCYHCSA-N 2 1 234.387 2.059 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)CC[C@H]21 ZINC000877736740 590404249 /nfs/dbraw/zinc/40/42/49/590404249.db2.gz AUFGUKWEZKCBGS-UXXRCYHCSA-N 2 1 234.387 2.059 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)CC[C@H]21 ZINC000877736740 590404252 /nfs/dbraw/zinc/40/42/52/590404252.db2.gz AUFGUKWEZKCBGS-UXXRCYHCSA-N 2 1 234.387 2.059 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)CC[C@H]21 ZINC000877736740 590404256 /nfs/dbraw/zinc/40/42/56/590404256.db2.gz AUFGUKWEZKCBGS-UXXRCYHCSA-N 2 1 234.387 2.059 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CC3(C)CCC3)CC[C@H]21 ZINC000877738383 590405529 /nfs/dbraw/zinc/40/55/29/590405529.db2.gz BIZNZLSLIKUGBS-CHWSQXEVSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CC3(C)CCC3)CC[C@H]21 ZINC000877738383 590405531 /nfs/dbraw/zinc/40/55/31/590405531.db2.gz BIZNZLSLIKUGBS-CHWSQXEVSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3(C)CCC3)CC[C@H]21 ZINC000877738383 590405533 /nfs/dbraw/zinc/40/55/33/590405533.db2.gz BIZNZLSLIKUGBS-CHWSQXEVSA-N 2 1 222.376 2.203 20 0 BEADMP CC(C)C1(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)CC1 ZINC000877738842 590406335 /nfs/dbraw/zinc/40/63/35/590406335.db2.gz MOAAABAGEOMOJB-KBPBESRZSA-N 2 1 236.403 2.449 20 0 BEADMP CC(C)C1(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000877738842 590406336 /nfs/dbraw/zinc/40/63/36/590406336.db2.gz MOAAABAGEOMOJB-KBPBESRZSA-N 2 1 236.403 2.449 20 0 BEADMP CC(C)C1(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000877738842 590406337 /nfs/dbraw/zinc/40/63/37/590406337.db2.gz MOAAABAGEOMOJB-KBPBESRZSA-N 2 1 236.403 2.449 20 0 BEADMP CCC(CC)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877743347 590410755 /nfs/dbraw/zinc/41/07/55/590410755.db2.gz KANVOGWPARNDAI-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877743347 590410756 /nfs/dbraw/zinc/41/07/56/590410756.db2.gz KANVOGWPARNDAI-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP CCC(CC)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877743347 590410757 /nfs/dbraw/zinc/41/07/57/590410757.db2.gz KANVOGWPARNDAI-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP CCC(CC)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877743347 590410758 /nfs/dbraw/zinc/41/07/58/590410758.db2.gz KANVOGWPARNDAI-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP CCC(CC)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877743346 590411195 /nfs/dbraw/zinc/41/11/95/590411195.db2.gz KANVOGWPARNDAI-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877743346 590411196 /nfs/dbraw/zinc/41/11/96/590411196.db2.gz KANVOGWPARNDAI-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP CCC(CC)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877743346 590411199 /nfs/dbraw/zinc/41/11/99/590411199.db2.gz KANVOGWPARNDAI-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP CCC(CC)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877743346 590411202 /nfs/dbraw/zinc/41/12/02/590411202.db2.gz KANVOGWPARNDAI-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP C=C/C=C/CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000878103598 590494835 /nfs/dbraw/zinc/49/48/35/590494835.db2.gz GMXBCEJXXFXAKP-GFUIURDCSA-N 2 1 208.349 2.002 20 0 BEADMP C[N@@H+](CCCC1CC1)C[C@H]1CCC[NH+](C)C1 ZINC000878125582 590501489 /nfs/dbraw/zinc/50/14/89/590501489.db2.gz QIYJEAJBASUKKV-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH+](CCCC1CC1)C[C@H]1CCC[N@H+](C)C1 ZINC000878125582 590501491 /nfs/dbraw/zinc/50/14/91/590501491.db2.gz QIYJEAJBASUKKV-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH+](CCCC1CC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000878125582 590501493 /nfs/dbraw/zinc/50/14/93/590501493.db2.gz QIYJEAJBASUKKV-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP C=C/C=C/CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000878125829 590501770 /nfs/dbraw/zinc/50/17/70/590501770.db2.gz SFJWRLCOASDRLS-GJBLVYBDSA-N 2 1 222.376 2.392 20 0 BEADMP C=C/C=C\CC[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000878167686 590514277 /nfs/dbraw/zinc/51/42/77/590514277.db2.gz XTAQYJGBDQPQLC-LMVHVUTASA-N 2 1 222.376 2.392 20 0 BEADMP C=C/C=C\CC[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000878167686 590514280 /nfs/dbraw/zinc/51/42/80/590514280.db2.gz XTAQYJGBDQPQLC-LMVHVUTASA-N 2 1 222.376 2.392 20 0 BEADMP C=C/C=C\CC[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000878167686 590514281 /nfs/dbraw/zinc/51/42/81/590514281.db2.gz XTAQYJGBDQPQLC-LMVHVUTASA-N 2 1 222.376 2.392 20 0 BEADMP CCCCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879574349 590813680 /nfs/dbraw/zinc/81/36/80/590813680.db2.gz ZSYTXABKIQGRQV-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP CCCCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879574349 590813683 /nfs/dbraw/zinc/81/36/83/590813683.db2.gz ZSYTXABKIQGRQV-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP CCCCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879574349 590813688 /nfs/dbraw/zinc/81/36/88/590813688.db2.gz ZSYTXABKIQGRQV-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP CCCCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879574349 590813691 /nfs/dbraw/zinc/81/36/91/590813691.db2.gz ZSYTXABKIQGRQV-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP CCCCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879574348 590814719 /nfs/dbraw/zinc/81/47/19/590814719.db2.gz ZSYTXABKIQGRQV-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP CCCCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879574348 590814722 /nfs/dbraw/zinc/81/47/22/590814722.db2.gz ZSYTXABKIQGRQV-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP CCCCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879574348 590814726 /nfs/dbraw/zinc/81/47/26/590814726.db2.gz ZSYTXABKIQGRQV-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP CCCCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879574348 590814731 /nfs/dbraw/zinc/81/47/31/590814731.db2.gz ZSYTXABKIQGRQV-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC3CCC3)CC[C@H]21 ZINC000879580086 590816068 /nfs/dbraw/zinc/81/60/68/590816068.db2.gz RETARBYKRJESBU-ZIAGYGMSSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CCC3CCC3)CC[C@H]21 ZINC000879580086 590816070 /nfs/dbraw/zinc/81/60/70/590816070.db2.gz RETARBYKRJESBU-ZIAGYGMSSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CCC3CCC3)CC[C@H]21 ZINC000879580086 590816073 /nfs/dbraw/zinc/81/60/73/590816073.db2.gz RETARBYKRJESBU-ZIAGYGMSSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC3CCC3)CC[C@H]21 ZINC000879580086 590816074 /nfs/dbraw/zinc/81/60/74/590816074.db2.gz RETARBYKRJESBU-ZIAGYGMSSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](CC3CC(C)(C)C3)CC[C@H]21 ZINC000879579758 590817271 /nfs/dbraw/zinc/81/72/71/590817271.db2.gz PFLYLYUGXURVMN-ZIAGYGMSSA-N 2 1 236.403 2.449 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CC(C)(C)C3)CC[C@H]21 ZINC000879579758 590817273 /nfs/dbraw/zinc/81/72/73/590817273.db2.gz PFLYLYUGXURVMN-ZIAGYGMSSA-N 2 1 236.403 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CC(C)(C)C3)CC[C@H]21 ZINC000879579758 590817277 /nfs/dbraw/zinc/81/72/77/590817277.db2.gz PFLYLYUGXURVMN-ZIAGYGMSSA-N 2 1 236.403 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CC(C)(C)C3)CC[C@H]21 ZINC000879579758 590817280 /nfs/dbraw/zinc/81/72/80/590817280.db2.gz PFLYLYUGXURVMN-ZIAGYGMSSA-N 2 1 236.403 2.449 20 0 BEADMP CC(C)SCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879581488 590820690 /nfs/dbraw/zinc/82/06/90/590820690.db2.gz LLFLWHRGBMQOHI-CHWSQXEVSA-N 2 1 242.432 2.154 20 0 BEADMP CC(C)SCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879581488 590820691 /nfs/dbraw/zinc/82/06/91/590820691.db2.gz LLFLWHRGBMQOHI-CHWSQXEVSA-N 2 1 242.432 2.154 20 0 BEADMP CC(C)SCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879581488 590820692 /nfs/dbraw/zinc/82/06/92/590820692.db2.gz LLFLWHRGBMQOHI-CHWSQXEVSA-N 2 1 242.432 2.154 20 0 BEADMP CC(C)SCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879581488 590820694 /nfs/dbraw/zinc/82/06/94/590820694.db2.gz LLFLWHRGBMQOHI-CHWSQXEVSA-N 2 1 242.432 2.154 20 0 BEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](CF)C1 ZINC000880238143 590969201 /nfs/dbraw/zinc/96/92/01/590969201.db2.gz PUYPVAXUVFXARL-LBPRGKRZSA-N 2 1 239.338 2.034 20 0 BEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](CF)C1 ZINC000880238143 590969203 /nfs/dbraw/zinc/96/92/03/590969203.db2.gz PUYPVAXUVFXARL-LBPRGKRZSA-N 2 1 239.338 2.034 20 0 BEADMP CC[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258905 590979373 /nfs/dbraw/zinc/97/93/73/590979373.db2.gz DTDKOFKGIJKAIV-QWHCGFSZSA-N 2 1 233.359 2.391 20 0 BEADMP CCCC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880262604 590980230 /nfs/dbraw/zinc/98/02/30/590980230.db2.gz QELUMYRJUPIPRU-CYBMUJFWSA-N 2 1 233.359 2.392 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C=CCC2)[C@@H]2CCC[C@H]21 ZINC000883245585 591585726 /nfs/dbraw/zinc/58/57/26/591585726.db2.gz NYJLBENQQMZIOY-CBBWQLFWSA-N 2 1 234.387 2.415 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883417168 591653008 /nfs/dbraw/zinc/65/30/08/591653008.db2.gz PUBFCCGRABVPQD-GHMZBOCLSA-N 2 1 232.318 2.093 20 0 BEADMP c1ccc2c(c1)OCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000132118279 591687275 /nfs/dbraw/zinc/68/72/75/591687275.db2.gz XHBIAOWJFZFSII-JSGCOSHPSA-N 2 1 246.354 2.099 20 0 BEADMP C[C@H]1SCC[N@@H+](CCCCCC[NH3+])[C@H]1C ZINC000132463504 591709744 /nfs/dbraw/zinc/70/97/44/591709744.db2.gz VTWGLIPVOOXWIY-NWDGAFQWSA-N 2 1 230.421 2.331 20 0 BEADMP C[C@@H]1SCC[N@@H+](CCCCCC[NH3+])[C@H]1C ZINC000132463114 591710251 /nfs/dbraw/zinc/71/02/51/591710251.db2.gz VTWGLIPVOOXWIY-RYUDHWBXSA-N 2 1 230.421 2.331 20 0 BEADMP CCc1nccc(NCC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000884528473 591967667 /nfs/dbraw/zinc/96/76/67/591967667.db2.gz PUJCVHOXZCTKMD-GFCCVEGCSA-N 2 1 248.374 2.183 20 0 BEADMP Cc1coc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000886142509 592162694 /nfs/dbraw/zinc/16/26/94/592162694.db2.gz DRDDWUTWAYEQBX-ZDUSSCGKSA-N 2 1 236.359 2.410 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886568121 592261738 /nfs/dbraw/zinc/26/17/38/592261738.db2.gz APTWHSGIUWENME-BETUJISGSA-N 2 1 242.432 2.013 20 0 BEADMP Cl/C=C\C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874427 592374839 /nfs/dbraw/zinc/37/48/39/592374839.db2.gz NOWIGVGAHMXNNC-RYBZSIHZSA-N 2 1 228.767 2.205 20 0 BEADMP Cl/C=C\C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874427 592374842 /nfs/dbraw/zinc/37/48/42/592374842.db2.gz NOWIGVGAHMXNNC-RYBZSIHZSA-N 2 1 228.767 2.205 20 0 BEADMP FC(F)C[N@H+](CC1CC[NH2+]CC1)C1CCC1 ZINC000886880928 592381477 /nfs/dbraw/zinc/38/14/77/592381477.db2.gz JTBCLQZYQAZPEY-UHFFFAOYSA-N 2 1 232.318 2.106 20 0 BEADMP FC(F)C[N@@H+](CC1CC[NH2+]CC1)C1CCC1 ZINC000886880928 592381482 /nfs/dbraw/zinc/38/14/82/592381482.db2.gz JTBCLQZYQAZPEY-UHFFFAOYSA-N 2 1 232.318 2.106 20 0 BEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H]1CCSC1 ZINC000300230370 592505413 /nfs/dbraw/zinc/50/54/13/592505413.db2.gz XQAXZPDYJYRJCR-ODWCKFRGSA-N 2 1 240.416 2.084 20 0 BEADMP CO[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000300584078 592515680 /nfs/dbraw/zinc/51/56/80/592515680.db2.gz DJTMFIULKBYUNY-BFHYXJOUSA-N 2 1 240.391 2.016 20 0 BEADMP CO[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000300584078 592515682 /nfs/dbraw/zinc/51/56/82/592515682.db2.gz DJTMFIULKBYUNY-BFHYXJOUSA-N 2 1 240.391 2.016 20 0 BEADMP CO[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000300584079 592515833 /nfs/dbraw/zinc/51/58/33/592515833.db2.gz DJTMFIULKBYUNY-MELADBBJSA-N 2 1 240.391 2.016 20 0 BEADMP CO[C@@H]1CC[C@H]([N@H+]2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000300584079 592515835 /nfs/dbraw/zinc/51/58/35/592515835.db2.gz DJTMFIULKBYUNY-MELADBBJSA-N 2 1 240.391 2.016 20 0 BEADMP CC1(C)[C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)C1(F)F ZINC000925704812 634383661 /nfs/dbraw/zinc/38/36/61/634383661.db2.gz FKWCEMNMLUHOER-UWVGGRQHSA-N 2 1 244.329 2.152 20 0 BEADMP C[NH2+]C[C@H]1CCCC[N@@H+]1CCC=C(C)C ZINC000697624197 987361131 /nfs/dbraw/zinc/36/11/31/987361131.db2.gz YMSHQWIAZXPDRS-CYBMUJFWSA-N 2 1 210.365 2.417 20 0 BEADMP C[NH2+]C[C@H]1CCCC[N@H+]1CCC=C(C)C ZINC000697624197 987361136 /nfs/dbraw/zinc/36/11/36/987361136.db2.gz YMSHQWIAZXPDRS-CYBMUJFWSA-N 2 1 210.365 2.417 20 0 BEADMP CCCCCC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299893045 634397079 /nfs/dbraw/zinc/39/70/79/634397079.db2.gz HCKZKUWRSIJAAX-QWHCGFSZSA-N 2 1 210.365 2.251 20 0 BEADMP CCCCCC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299893045 634397084 /nfs/dbraw/zinc/39/70/84/634397084.db2.gz HCKZKUWRSIJAAX-QWHCGFSZSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000925709078 634404018 /nfs/dbraw/zinc/40/40/18/634404018.db2.gz OAIQCMYBRHANMC-AXFHLTTASA-N 2 1 232.318 2.152 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@]1(C)CC1(F)F ZINC000925709083 634404927 /nfs/dbraw/zinc/40/49/27/634404927.db2.gz OAIQCMYBRHANMC-GARJFASQSA-N 2 1 232.318 2.152 20 0 BEADMP C[C@@]1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1(F)F ZINC000925710790 634409327 /nfs/dbraw/zinc/40/93/27/634409327.db2.gz QVMKIINZXMVKGK-QWRGUYRKSA-N 2 1 244.329 2.296 20 0 BEADMP C[C@]1(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1(F)F ZINC000925710776 634409377 /nfs/dbraw/zinc/40/93/77/634409377.db2.gz QVMKIINZXMVKGK-GHMZBOCLSA-N 2 1 244.329 2.296 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000925712318 634412707 /nfs/dbraw/zinc/41/27/07/634412707.db2.gz OOZTZZFSUXTEKW-BJDJZHNGSA-N 2 1 248.773 2.421 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000125545432 634539703 /nfs/dbraw/zinc/53/97/03/634539703.db2.gz NEPNKNBNGJSGHB-HNNXBMFYSA-N 2 1 232.371 2.420 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)CC(F)F ZINC000925734556 634585757 /nfs/dbraw/zinc/58/57/57/634585757.db2.gz SLIBLENGGMCROX-ZJUUUORDSA-N 2 1 234.334 2.398 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCCc2cccnc21)[C@@H]1CC[NH2+]C1 ZINC000925872156 635586601 /nfs/dbraw/zinc/58/66/01/635586601.db2.gz QGAKDFUDTPMDPK-BNOWGMLFSA-N 2 1 245.370 2.047 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCCc2cccnc21)[C@@H]1CC[NH2+]C1 ZINC000925872165 635587601 /nfs/dbraw/zinc/58/76/01/635587601.db2.gz QGAKDFUDTPMDPK-MRVWCRGKSA-N 2 1 245.370 2.047 20 0 BEADMP Cc1cc(F)c(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c(F)c1 ZINC000925873697 635592776 /nfs/dbraw/zinc/59/27/76/635592776.db2.gz CIOLWZZDPOBDBF-NXEZZACHSA-N 2 1 242.313 2.489 20 0 BEADMP CCC[C@@H](C)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733058 631495691 /nfs/dbraw/zinc/49/56/91/631495691.db2.gz ZZIPEUKCEHVCKV-FRRDWIJNSA-N 2 1 210.365 2.059 20 0 BEADMP CCC[C@@H](C)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733058 631495698 /nfs/dbraw/zinc/49/56/98/631495698.db2.gz ZZIPEUKCEHVCKV-FRRDWIJNSA-N 2 1 210.365 2.059 20 0 BEADMP CCC[C@@H](C)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933733058 631495701 /nfs/dbraw/zinc/49/57/01/631495701.db2.gz ZZIPEUKCEHVCKV-FRRDWIJNSA-N 2 1 210.365 2.059 20 0 BEADMP CCC[C@@H](C)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933733058 631495703 /nfs/dbraw/zinc/49/57/03/631495703.db2.gz ZZIPEUKCEHVCKV-FRRDWIJNSA-N 2 1 210.365 2.059 20 0 BEADMP C[C@@H]1[C@@H](C)CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000892212797 631788107 /nfs/dbraw/zinc/78/81/07/631788107.db2.gz UMCXTCYVOLKYRG-NWDGAFQWSA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@@H]1CCCC[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000309041663 631825020 /nfs/dbraw/zinc/82/50/20/631825020.db2.gz KIQSUULBFHPFJZ-VHSXEESVSA-N 2 1 220.307 2.233 20 0 BEADMP CC[C@@H]1CCCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000309041663 631825022 /nfs/dbraw/zinc/82/50/22/631825022.db2.gz KIQSUULBFHPFJZ-VHSXEESVSA-N 2 1 220.307 2.233 20 0 BEADMP CSC(C)(C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000309300881 631994488 /nfs/dbraw/zinc/99/44/88/631994488.db2.gz YHXKOFPFNLUJLF-UHFFFAOYSA-N 2 1 242.432 2.344 20 0 BEADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224195971 632008209 /nfs/dbraw/zinc/00/82/09/632008209.db2.gz DQIKBATVYWXJMY-GXTWGEPZSA-N 2 1 218.344 2.418 20 0 BEADMP CC[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000051919085 632012807 /nfs/dbraw/zinc/01/28/07/632012807.db2.gz XXHXHORAPOSYLZ-QWHCGFSZSA-N 2 1 210.365 2.251 20 0 BEADMP C[N@H+](Cc1ccccc1F)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000091544808 632069025 /nfs/dbraw/zinc/06/90/25/632069025.db2.gz VDQIPAVMHKRSTJ-YPMHNXCESA-N 2 1 236.334 2.385 20 0 BEADMP c1ccc(CCC[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000257715753 635746731 /nfs/dbraw/zinc/74/67/31/635746731.db2.gz UTWDUOSMHLLCFA-INIZCTEOSA-N 2 1 244.382 2.447 20 0 BEADMP c1ccc(CCC[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000257715753 635746735 /nfs/dbraw/zinc/74/67/35/635746735.db2.gz UTWDUOSMHLLCFA-INIZCTEOSA-N 2 1 244.382 2.447 20 0 BEADMP C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H](CC[NH3+])C2)C1 ZINC000309480282 632420432 /nfs/dbraw/zinc/42/04/32/632420432.db2.gz WNQIBEFJYSKGLK-MGPQQGTHSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCC2CCC2)CC[N@H+]1C ZINC000161867564 632440027 /nfs/dbraw/zinc/44/00/27/632440027.db2.gz NPOZMAIEMDPEAV-DGCLKSJQSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1CC[C@H](C)C1[NH2+]C1CC[NH+](C)CC1 ZINC000309150050 632648539 /nfs/dbraw/zinc/64/85/39/632648539.db2.gz WEOANGUCQCFJGC-QWRGUYRKSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C)[C@@H](C)C2)CC[NH2+]1 ZINC000235369385 632680541 /nfs/dbraw/zinc/68/05/41/632680541.db2.gz ARXCWQRKBJWRAI-XJFOESAGSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCSC(C)(C)C2)CC[NH2+]1 ZINC000235369075 632680590 /nfs/dbraw/zinc/68/05/90/632680590.db2.gz SIMNHEALXOFQPG-VXGBXAGGSA-N 2 1 242.432 2.202 20 0 BEADMP [NH3+][C@H]1C[C@H]([NH2+]CCOCC2CC2)c2ccccc21 ZINC000236320939 632918938 /nfs/dbraw/zinc/91/89/38/632918938.db2.gz HTNDBBWQLMWTIN-GJZGRUSLSA-N 2 1 246.354 2.147 20 0 BEADMP C[C@@H](c1ccccc1)[N@H+]1C[C@H](N)C(C)(C)C1 ZINC000080232580 633047672 /nfs/dbraw/zinc/04/76/72/633047672.db2.gz IBOGDDOUDUDOPZ-AAEUAGOBSA-N 2 1 218.344 2.417 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC3(CCCC3)C2)C1 ZINC000304391480 635940281 /nfs/dbraw/zinc/94/02/81/635940281.db2.gz MQILDFYEMHXNOG-QWHCGFSZSA-N 2 1 222.376 2.380 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1C ZINC000125534886 636024519 /nfs/dbraw/zinc/02/45/19/636024519.db2.gz MPGIDDMOXZUUOS-CQSZACIVSA-N 2 1 232.371 2.474 20 0 BEADMP Cc1cccc(F)c1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925523899 633898325 /nfs/dbraw/zinc/89/83/25/633898325.db2.gz OUAPNAGNWZRESA-KBPBESRZSA-N 2 1 248.345 2.494 20 0 BEADMP C[C@@](C[NH3+])([NH2+]CCc1cccs1)C1CC1 ZINC000309829859 634017653 /nfs/dbraw/zinc/01/76/53/634017653.db2.gz YFRANJYTTKSRON-LBPRGKRZSA-N 2 1 224.373 2.008 20 0 BEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@@H]1Cc1ccccc1 ZINC000925575188 634074850 /nfs/dbraw/zinc/07/48/50/634074850.db2.gz QQYHNGRZDDLBJJ-KKUMJFAQSA-N 2 1 244.382 2.348 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000310169252 634083421 /nfs/dbraw/zinc/08/34/21/634083421.db2.gz OZIRMGBPYVHIBX-HXSCFSKGSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925607834 634140501 /nfs/dbraw/zinc/14/05/01/634140501.db2.gz DNGRQXQRDVYSGT-SMDDNHRTSA-N 2 1 248.370 2.053 20 0 BEADMP Cc1occc1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925615843 634161878 /nfs/dbraw/zinc/16/18/78/634161878.db2.gz IUQOTCQWHLGUNJ-HZSPNIEDSA-N 2 1 248.370 2.454 20 0 BEADMP FC1(F)CCC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925617172 634167798 /nfs/dbraw/zinc/16/77/98/634167798.db2.gz BGJVHIGQBVIVCR-WDEREUQCSA-N 2 1 244.329 2.439 20 0 BEADMP Cc1cccc(CCC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)n1 ZINC000925665275 634240525 /nfs/dbraw/zinc/24/05/25/634240525.db2.gz KUKIZIWKIFTIAS-UKRRQHHQSA-N 2 1 247.386 2.053 20 0 BEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000925682912 634285660 /nfs/dbraw/zinc/28/56/60/634285660.db2.gz HMTBLZDPDYBIGC-UWVGGRQHSA-N 2 1 232.318 2.152 20 0 BEADMP CCC[C@H](C)[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931314032 634332189 /nfs/dbraw/zinc/33/21/89/634332189.db2.gz ISGHWINWCLGHGB-BFHYXJOUSA-N 2 1 224.392 2.449 20 0 BEADMP C[N@@H+]1C[C@]2(C)C[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)C[C@]2(C)C1 ZINC000931318866 634343265 /nfs/dbraw/zinc/34/32/65/634343265.db2.gz VJZIIGKWVKVOSP-HCAJQNDMSA-N 2 1 248.414 2.306 20 0 BEADMP C[N@H+]1C[C@]2(C)C[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)C[C@]2(C)C1 ZINC000931318866 634343271 /nfs/dbraw/zinc/34/32/71/634343271.db2.gz VJZIIGKWVKVOSP-HCAJQNDMSA-N 2 1 248.414 2.306 20 0 BEADMP C[NH+]1C[C@]2(C)C[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C[C@]2(C)C1 ZINC000931318866 634343277 /nfs/dbraw/zinc/34/32/77/634343277.db2.gz VJZIIGKWVKVOSP-HCAJQNDMSA-N 2 1 248.414 2.306 20 0 BEADMP C[NH+]1C[C@]2(C)C[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C[C@]2(C)C1 ZINC000931318866 634343284 /nfs/dbraw/zinc/34/32/84/634343284.db2.gz VJZIIGKWVKVOSP-HCAJQNDMSA-N 2 1 248.414 2.306 20 0 BEADMP CC(C)Oc1ccc(C[NH2+]CC2([NH3+])CC2)cc1 ZINC000259198131 635250080 /nfs/dbraw/zinc/25/00/80/635250080.db2.gz WITIBQAHJVJMBO-UHFFFAOYSA-N 2 1 234.343 2.055 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000094338884 635298720 /nfs/dbraw/zinc/29/87/20/635298720.db2.gz CNATUTXXMAPJHG-UKRRQHHQSA-N 2 1 232.371 2.473 20 0 BEADMP c1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CC3CCC1CC3)C2 ZINC000925812514 635369491 /nfs/dbraw/zinc/36/94/91/635369491.db2.gz IJGPXVQIHSVNGP-NWINJMCUSA-N 2 1 245.370 2.366 20 0 BEADMP COc1ccccc1/C=C\C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414792559 635818546 /nfs/dbraw/zinc/81/85/46/635818546.db2.gz JDDDHLBFTVZAAK-IQCBXXCUSA-N 2 1 248.370 2.281 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC000450470906 636443132 /nfs/dbraw/zinc/44/31/32/636443132.db2.gz JJHLYVGQHMITLB-NSHDSACASA-N 2 1 246.345 2.305 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC000450470906 636443137 /nfs/dbraw/zinc/44/31/37/636443137.db2.gz JJHLYVGQHMITLB-NSHDSACASA-N 2 1 246.345 2.305 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000450470906 636443141 /nfs/dbraw/zinc/44/31/41/636443141.db2.gz JJHLYVGQHMITLB-NSHDSACASA-N 2 1 246.345 2.305 20 0 BEADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000127503198 636591283 /nfs/dbraw/zinc/59/12/83/636591283.db2.gz OSCKYWUOTSTRNE-YHWZYXNKSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)[C@H]1C ZINC000252175613 636780392 /nfs/dbraw/zinc/78/03/92/636780392.db2.gz OXFMRIAUDDFZDK-RYUDHWBXSA-N 2 1 210.365 2.249 20 0 BEADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(C)o1 ZINC000163494907 636818287 /nfs/dbraw/zinc/81/82/87/636818287.db2.gz DIJNYVGYYHZOLW-ZDUSSCGKSA-N 2 1 248.370 2.470 20 0 BEADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(C)o1 ZINC000163494907 636818289 /nfs/dbraw/zinc/81/82/89/636818289.db2.gz DIJNYVGYYHZOLW-ZDUSSCGKSA-N 2 1 248.370 2.470 20 0 BEADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000084384487 636875631 /nfs/dbraw/zinc/87/56/31/636875631.db2.gz FMLJZRITSJKSAH-ZDUSSCGKSA-N 2 1 218.344 2.118 20 0 BEADMP CCO[C@H](C[NH2+][C@H]1CCCC[C@H]1C)C[NH+](C)C ZINC000926960944 636973742 /nfs/dbraw/zinc/97/37/42/636973742.db2.gz HSKQWGIKXALPCN-MCIONIFRSA-N 2 1 242.407 2.121 20 0 BEADMP CCO[C@H](C[NH2+][C@H]1CCCC1(C)C)C[NH+](C)C ZINC000926966204 636976214 /nfs/dbraw/zinc/97/62/14/636976214.db2.gz VZHRMWPXWCRTMC-OLZOCXBDSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCS1 ZINC000927030562 637000498 /nfs/dbraw/zinc/00/04/98/637000498.db2.gz IWGLORZXDJEENN-QNWHQSFQSA-N 2 1 242.432 2.343 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCS1 ZINC000927030562 637000504 /nfs/dbraw/zinc/00/05/04/637000504.db2.gz IWGLORZXDJEENN-QNWHQSFQSA-N 2 1 242.432 2.343 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CCS1 ZINC000927030560 637001077 /nfs/dbraw/zinc/00/10/77/637001077.db2.gz IWGLORZXDJEENN-FVCCEPFGSA-N 2 1 242.432 2.343 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCS1 ZINC000927030560 637001083 /nfs/dbraw/zinc/00/10/83/637001083.db2.gz IWGLORZXDJEENN-FVCCEPFGSA-N 2 1 242.432 2.343 20 0 BEADMP C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903436751 637360073 /nfs/dbraw/zinc/36/00/73/637360073.db2.gz BFWRXEQQTZLPQR-AAVRWANBSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903437850 637362270 /nfs/dbraw/zinc/36/22/70/637362270.db2.gz NQGPBMOGAPQCIK-NIFZNCRKSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000903464821 637362361 /nfs/dbraw/zinc/36/23/61/637362361.db2.gz XYGKRIADMQHBKQ-WYUUTHIRSA-N 2 1 246.345 2.065 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000904443481 637410519 /nfs/dbraw/zinc/41/05/19/637410519.db2.gz LTDGLDAVIJQLIN-CHWSQXEVSA-N 2 1 240.391 2.051 20 0 BEADMP CC(C)C[C@H]([NH3+])C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000904443483 637411704 /nfs/dbraw/zinc/41/17/04/637411704.db2.gz LTDGLDAVIJQLIN-QWHCGFSZSA-N 2 1 240.391 2.051 20 0 BEADMP CC(C)C[C@H]([NH3+])C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000904443484 637411742 /nfs/dbraw/zinc/41/17/42/637411742.db2.gz LTDGLDAVIJQLIN-STQMWFEESA-N 2 1 240.391 2.051 20 0 BEADMP C[C@@H](CCc1ccccc1)C[NH2+]CC1([NH3+])CC1 ZINC000904449831 637412574 /nfs/dbraw/zinc/41/25/74/637412574.db2.gz LPENAVBGTXWTCC-ZDUSSCGKSA-N 2 1 232.371 2.336 20 0 BEADMP Cc1cc(C[NH2+]CC2([NH3+])CC2)ccc1Cl ZINC000904449466 637412970 /nfs/dbraw/zinc/41/29/70/637412970.db2.gz INXUPBZIVSYTNC-UHFFFAOYSA-N 2 1 224.735 2.229 20 0 BEADMP [NH3+]C1(C[NH2+]CCCCCOc2ccccc2)CC1 ZINC000904445620 637414130 /nfs/dbraw/zinc/41/41/30/637414130.db2.gz YBKVNHBGDHBRPX-UHFFFAOYSA-N 2 1 248.370 2.317 20 0 BEADMP CCCOc1cccc(C[NH2+]CC2([NH3+])CC2)c1 ZINC000904451674 637417269 /nfs/dbraw/zinc/41/72/69/637417269.db2.gz ZLJBDRGFWSQGDT-UHFFFAOYSA-N 2 1 234.343 2.056 20 0 BEADMP Cc1[nH+]c(N)ccc1-c1cccc2c1CC[NH2+]C2 ZINC000904769663 637476060 /nfs/dbraw/zinc/47/60/60/637476060.db2.gz VGSRTZJMRIXLJM-UHFFFAOYSA-N 2 1 239.322 2.285 20 0 BEADMP [NH3+]C1CC([NH2+]Cc2cc3ccccc3o2)C1 ZINC000906509267 638182247 /nfs/dbraw/zinc/18/22/47/638182247.db2.gz DKAHPDHAIWJICD-UHFFFAOYSA-N 2 1 216.284 2.012 20 0 BEADMP [NH3+]C1CC([NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC000906510058 638183727 /nfs/dbraw/zinc/18/37/27/638183727.db2.gz MAZMZCUEQKEKML-UHFFFAOYSA-N 2 1 234.274 2.151 20 0 BEADMP CC(C)C(N)=[NH+]OCC[C@@H]1CCCC[N@H+]1C ZINC000906502962 638196713 /nfs/dbraw/zinc/19/67/13/638196713.db2.gz LYYCZRBMNNGEML-NSHDSACASA-N 2 1 227.352 2.015 20 0 BEADMP CCCC[NH2+][C@@H](C)C[N@H+](CC)CCC ZINC000906532059 638199741 /nfs/dbraw/zinc/19/97/41/638199741.db2.gz XUPJRZYXCFTNQZ-LBPRGKRZSA-N 2 1 200.370 2.497 20 0 BEADMP CCCC[NH2+][C@@H](C)C[N@@H+](CC)CCC ZINC000906532059 638199743 /nfs/dbraw/zinc/19/97/43/638199743.db2.gz XUPJRZYXCFTNQZ-LBPRGKRZSA-N 2 1 200.370 2.497 20 0 BEADMP CCCC[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000906534118 638202268 /nfs/dbraw/zinc/20/22/68/638202268.db2.gz OOEBJPMDUYZGLU-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP CC1CC(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000930576022 639812953 /nfs/dbraw/zinc/81/29/53/639812953.db2.gz GZHCHLOLNFKVBK-NRXISQOPSA-N 2 1 236.403 2.450 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931281456 640132391 /nfs/dbraw/zinc/13/23/91/640132391.db2.gz SQUBINLSEUIZDF-DCQANWLSSA-N 2 1 246.345 2.160 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931281456 640132395 /nfs/dbraw/zinc/13/23/95/640132395.db2.gz SQUBINLSEUIZDF-DCQANWLSSA-N 2 1 246.345 2.160 20 0 BEADMP C[NH+]1C[C@]2(C)C[NH+](CCC3CC3)C[C@@]2(C)C1 ZINC000931311182 640140656 /nfs/dbraw/zinc/14/06/56/640140656.db2.gz OKOLVMHSCWGXOC-ZIAGYGMSSA-N 2 1 222.376 2.060 20 0 BEADMP CCCCC[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931311366 640147939 /nfs/dbraw/zinc/14/79/39/640147939.db2.gz OPJROCNOYBXHCF-OKILXGFUSA-N 2 1 224.392 2.450 20 0 BEADMP CCCCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931311366 640147942 /nfs/dbraw/zinc/14/79/42/640147942.db2.gz OPJROCNOYBXHCF-OKILXGFUSA-N 2 1 224.392 2.450 20 0 BEADMP CCCCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931311366 640147945 /nfs/dbraw/zinc/14/79/45/640147945.db2.gz OPJROCNOYBXHCF-OKILXGFUSA-N 2 1 224.392 2.450 20 0 BEADMP CCCCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931311366 640147949 /nfs/dbraw/zinc/14/79/49/640147949.db2.gz OPJROCNOYBXHCF-OKILXGFUSA-N 2 1 224.392 2.450 20 0 BEADMP CCCCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931311366 640147957 /nfs/dbraw/zinc/14/79/57/640147957.db2.gz OPJROCNOYBXHCF-OKILXGFUSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@H](C)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931314058 640152038 /nfs/dbraw/zinc/15/20/38/640152038.db2.gz JCVJHOSOEVGWBU-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@H](C)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931314058 640152014 /nfs/dbraw/zinc/15/20/14/640152014.db2.gz JCVJHOSOEVGWBU-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@H](C)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931314058 640152020 /nfs/dbraw/zinc/15/20/20/640152020.db2.gz JCVJHOSOEVGWBU-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@H](C)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931314058 640152030 /nfs/dbraw/zinc/15/20/30/640152030.db2.gz JCVJHOSOEVGWBU-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP C[NH+]1C[C@]2(C)C[NH+](CC3(C)CCC3)C[C@@]2(C)C1 ZINC000931313804 640152624 /nfs/dbraw/zinc/15/26/24/640152624.db2.gz FZXRWVOVNADETL-HUUCEWRRSA-N 2 1 236.403 2.450 20 0 BEADMP C=C/C=C/CC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931317181 640154491 /nfs/dbraw/zinc/15/44/91/640154491.db2.gz NLACSIXOKUIDSP-KXLSMFKISA-N 2 1 234.387 2.392 20 0 BEADMP C[NH+](C)C1(C)CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000931355043 640168145 /nfs/dbraw/zinc/16/81/45/640168145.db2.gz OAFGXWUSVWPPJC-UHFFFAOYSA-N 2 1 246.345 2.448 20 0 BEADMP Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1 ZINC000931432085 640199140 /nfs/dbraw/zinc/19/91/40/640199140.db2.gz HTJVERRCOJJWKD-CVEARBPZSA-N 2 1 244.382 2.379 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC000931432085 640199144 /nfs/dbraw/zinc/19/91/44/640199144.db2.gz HTJVERRCOJJWKD-CVEARBPZSA-N 2 1 244.382 2.379 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC000931432085 640199147 /nfs/dbraw/zinc/19/91/47/640199147.db2.gz HTJVERRCOJJWKD-CVEARBPZSA-N 2 1 244.382 2.379 20 0 BEADMP C[C@@H](c1cccnc1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433427 640201759 /nfs/dbraw/zinc/20/17/59/640201759.db2.gz BOAKPLVMAMDKDZ-AEGPPILISA-N 2 1 245.370 2.026 20 0 BEADMP C[C@@H](c1cccnc1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433427 640201761 /nfs/dbraw/zinc/20/17/61/640201761.db2.gz BOAKPLVMAMDKDZ-AEGPPILISA-N 2 1 245.370 2.026 20 0 BEADMP C[C@@H](c1cccnc1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433427 640201762 /nfs/dbraw/zinc/20/17/62/640201762.db2.gz BOAKPLVMAMDKDZ-AEGPPILISA-N 2 1 245.370 2.026 20 0 BEADMP Nc1cc[nH+]c2c1C[N@H+](C[C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC000931516179 640246067 /nfs/dbraw/zinc/24/60/67/640246067.db2.gz QLAXKWBISKFXIC-ZSBIGDGJSA-N 2 1 243.354 2.068 20 0 BEADMP Nc1cc[nH+]c2c1C[N@@H+](C[C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC000931516179 640246073 /nfs/dbraw/zinc/24/60/73/640246073.db2.gz QLAXKWBISKFXIC-ZSBIGDGJSA-N 2 1 243.354 2.068 20 0 BEADMP CC[C@@H]1C[C@H]1CN1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000931545805 640267552 /nfs/dbraw/zinc/26/75/52/640267552.db2.gz GJPZUCFKFZDNSZ-MQYQWHSLSA-N 2 1 222.376 2.059 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000931545805 640267557 /nfs/dbraw/zinc/26/75/57/640267557.db2.gz GJPZUCFKFZDNSZ-MQYQWHSLSA-N 2 1 222.376 2.059 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000931545805 640267562 /nfs/dbraw/zinc/26/75/62/640267562.db2.gz GJPZUCFKFZDNSZ-MQYQWHSLSA-N 2 1 222.376 2.059 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000931545805 640267567 /nfs/dbraw/zinc/26/75/67/640267567.db2.gz GJPZUCFKFZDNSZ-MQYQWHSLSA-N 2 1 222.376 2.059 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000931545805 640267569 /nfs/dbraw/zinc/26/75/69/640267569.db2.gz GJPZUCFKFZDNSZ-MQYQWHSLSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@H](C1CC1)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000931683202 640313383 /nfs/dbraw/zinc/31/33/83/640313383.db2.gz HKVUHGNJNLWFCL-QWHCGFSZSA-N 2 1 245.370 2.391 20 0 BEADMP C[C@@H](C1CC1)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000931683201 640314034 /nfs/dbraw/zinc/31/40/34/640314034.db2.gz HKVUHGNJNLWFCL-OLZOCXBDSA-N 2 1 245.370 2.391 20 0 BEADMP COc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000055144473 640439096 /nfs/dbraw/zinc/43/90/96/640439096.db2.gz KUILPUHTGXUHJK-UHFFFAOYSA-N 2 1 248.370 2.397 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000223932214 640593804 /nfs/dbraw/zinc/59/38/04/640593804.db2.gz WFQNINHMWRBAKM-YIYPIFLZSA-N 2 1 224.392 2.352 20 0 BEADMP CC(C)[C@@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000166049673 640608643 /nfs/dbraw/zinc/60/86/43/640608643.db2.gz POUWHQWQTCVVHM-GFCCVEGCSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@H]1C[C@H](C)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717969667 711492785 /nfs/dbraw/zinc/49/27/85/711492785.db2.gz DKTBHRPLVKANDO-RNJOBUHISA-N 2 1 210.365 2.234 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1C ZINC000227055467 640812766 /nfs/dbraw/zinc/81/27/66/640812766.db2.gz MANXCNSPESYZGM-GXTWGEPZSA-N 2 1 248.370 2.173 20 0 BEADMP CCCCCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000158147695 640819560 /nfs/dbraw/zinc/81/95/60/640819560.db2.gz KJRUKXHXZRQFLR-CYBMUJFWSA-N 2 1 212.381 2.450 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000227536060 640838623 /nfs/dbraw/zinc/83/86/23/640838623.db2.gz ROVTWRBUJWSQQL-WCQYABFASA-N 2 1 212.381 2.339 20 0 BEADMP Cc1ccc(OCC[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000228202475 640866522 /nfs/dbraw/zinc/86/65/22/640866522.db2.gz LLBUTRIDTFBXIY-KBPBESRZSA-N 2 1 248.370 2.043 20 0 BEADMP C[C@H](Cc1ccco1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000062771606 641089522 /nfs/dbraw/zinc/08/95/22/641089522.db2.gz KXPTZXVYHHUWCK-GFCCVEGCSA-N 2 1 248.370 2.427 20 0 BEADMP C[C@@H](Cc1cccnc1)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000934233016 641109783 /nfs/dbraw/zinc/10/97/83/641109783.db2.gz HNJYTATYGRGVSK-DZGCQCFKSA-N 2 1 247.386 2.087 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000723082415 711501197 /nfs/dbraw/zinc/50/11/97/711501197.db2.gz YZUQQZHXUVDJBV-FRRDWIJNSA-N 2 1 212.381 2.338 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCC(C)(F)F)C1 ZINC000929637614 641383125 /nfs/dbraw/zinc/38/31/25/641383125.db2.gz LKHOCHGLGIKXTO-NSHDSACASA-N 2 1 234.334 2.305 20 0 BEADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1CCCCCCC[NH3+] ZINC000042452101 641551708 /nfs/dbraw/zinc/55/17/08/641551708.db2.gz GQAXKTIRMLKWPH-UONOGXRCSA-N 2 1 242.407 2.395 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C2C(C)(C)C2(C)C)CC[N@@H+]1C ZINC000156147472 641596262 /nfs/dbraw/zinc/59/62/62/641596262.db2.gz BESJBNIUUYHNKI-QWRGUYRKSA-N 2 1 224.392 2.493 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C2C(C)(C)C2(C)C)CC[N@H+]1C ZINC000156147472 641596269 /nfs/dbraw/zinc/59/62/69/641596269.db2.gz BESJBNIUUYHNKI-QWRGUYRKSA-N 2 1 224.392 2.493 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H](C2CC2)C(C)(C)C)CC1 ZINC000324336253 641708083 /nfs/dbraw/zinc/70/80/83/641708083.db2.gz CJUSCTLBJARSOK-ZDUSSCGKSA-N 2 1 224.392 2.495 20 0 BEADMP CCC(=O)CC[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000190256559 641854928 /nfs/dbraw/zinc/85/49/28/641854928.db2.gz YQUDDPZHCPAKTH-ZDUSSCGKSA-N 2 1 240.391 2.019 20 0 BEADMP CC[NH+](CC)CCSC[C@@H]1CCC[N@H+]1C ZINC000917110470 642011113 /nfs/dbraw/zinc/01/11/13/642011113.db2.gz RXVOEECXBLUPHN-LBPRGKRZSA-N 2 1 230.421 2.156 20 0 BEADMP C(C1CCCCC1)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000257643765 642486347 /nfs/dbraw/zinc/48/63/47/642486347.db2.gz BNAPVEQNMGNZDY-AWEZNQCLSA-N 2 1 222.376 2.395 20 0 BEADMP Cc1ccc[nH+]c1NCC1CC[NH+](C)CC1 ZINC000051041164 642515600 /nfs/dbraw/zinc/51/56/00/642515600.db2.gz VBYLKAAWSPQETI-UHFFFAOYSA-N 2 1 219.332 2.144 20 0 BEADMP CCC[NH+]1CCC([NH2+]C/C=C/Cl)CC1 ZINC000233034633 642645055 /nfs/dbraw/zinc/64/50/55/642645055.db2.gz XVEVPLROFPOFCI-ZZXKWVIFSA-N 2 1 216.756 2.203 20 0 BEADMP CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000233922406 642707777 /nfs/dbraw/zinc/70/77/77/642707777.db2.gz ZQPDWNWZPNJULC-FVCCEPFGSA-N 2 1 210.365 2.105 20 0 BEADMP CC[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000233909008 642709848 /nfs/dbraw/zinc/70/98/48/642709848.db2.gz PBDPOLWDOLGFDK-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2CCC2)[C@H](C)C1 ZINC000090233324 643077202 /nfs/dbraw/zinc/07/72/02/643077202.db2.gz AQOKPWXPDOWZQA-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H]1CCCCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000234035423 643310377 /nfs/dbraw/zinc/31/03/77/643310377.db2.gz SDGHLUSWAUZFMA-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@@H+](CC1CCCC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000082493388 643326517 /nfs/dbraw/zinc/32/65/17/643326517.db2.gz ADEUNTZEQHKVIE-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)Cc1cccs1 ZINC000082560406 643343440 /nfs/dbraw/zinc/34/34/40/643343440.db2.gz GENGWDZQMMRXHA-MNOVXSKESA-N 2 1 224.373 2.035 20 0 BEADMP C[C@H]([N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C)C(C)(C)C ZINC000082568239 643345745 /nfs/dbraw/zinc/34/57/45/643345745.db2.gz BIUUQZIYJSHQDQ-WOPDTQHZSA-N 2 1 212.381 2.208 20 0 BEADMP CC[C@H]1CC[C@H](C)[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000234047963 643356293 /nfs/dbraw/zinc/35/62/93/643356293.db2.gz ZQPDWNWZPNJULC-VOAKCMCISA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC(C)(C)CC1 ZINC000083680878 643609273 /nfs/dbraw/zinc/60/92/73/643609273.db2.gz LNXRQZYKCAQQLH-OLZOCXBDSA-N 2 1 224.392 2.354 20 0 BEADMP Cl/C=C/C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000846220066 643649632 /nfs/dbraw/zinc/64/96/32/643649632.db2.gz ABCIQJUHVCROQD-OIOWFRMASA-N 2 1 242.794 2.451 20 0 BEADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC1CCCCC1 ZINC000084385232 643660008 /nfs/dbraw/zinc/66/00/08/643660008.db2.gz JSDXHTFRLCXBKZ-ZDUSSCGKSA-N 2 1 224.392 2.498 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000050245253 643661228 /nfs/dbraw/zinc/66/12/28/643661228.db2.gz CJOZKHJYPOJMTI-CQSZACIVSA-N 2 1 218.344 2.030 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1C ZINC000050245458 643661350 /nfs/dbraw/zinc/66/13/50/643661350.db2.gz QYQVTZWGNRXXOR-CQSZACIVSA-N 2 1 218.344 2.084 20 0 BEADMP Cc1nc(C[N@H+](C)C2CCC([NH3+])CC2)cs1 ZINC000055144660 643677478 /nfs/dbraw/zinc/67/74/78/643677478.db2.gz RUKVXRXGUXPNIA-UHFFFAOYSA-N 2 1 239.388 2.153 20 0 BEADMP CCc1cnc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000234255935 643688149 /nfs/dbraw/zinc/68/81/49/643688149.db2.gz SOYYJCFXFQPUDN-ZJUUUORDSA-N 2 1 239.388 2.065 20 0 BEADMP C[N@@H+](CCc1cccs1)C1CCC([NH3+])CC1 ZINC000085870077 643824387 /nfs/dbraw/zinc/82/43/87/643824387.db2.gz MXVAUWWFTCHMHQ-UHFFFAOYSA-N 2 1 238.400 2.492 20 0 BEADMP CCO[C@H](C[NH2+][C@H]1CCC[C@@H](C)C1)C[NH+](C)C ZINC000922761801 644089884 /nfs/dbraw/zinc/08/98/84/644089884.db2.gz TZFCWZZJHLBEHW-HZSPNIEDSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCc1cccs1 ZINC000086442241 644137311 /nfs/dbraw/zinc/13/73/11/644137311.db2.gz RBZHGKOYBNZPHJ-NEPJUHHUSA-N 2 1 238.400 2.078 20 0 BEADMP CCCCCC[C@@H](O)C[NH+]1CCC([NH2+]C)CC1 ZINC000923287921 644319497 /nfs/dbraw/zinc/31/94/97/644319497.db2.gz RNTITFNDJADZOG-CQSZACIVSA-N 2 1 242.407 2.002 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CC1CCC2(CC2)CC1 ZINC000923367301 644377532 /nfs/dbraw/zinc/37/75/32/644377532.db2.gz GGEBOSMETPTJAE-AAEUAGOBSA-N 2 1 222.376 2.378 20 0 BEADMP c1ccc([C@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)nc1 ZINC000923370231 644380665 /nfs/dbraw/zinc/38/06/65/644380665.db2.gz SPMIGTRPFIOVLX-ZDUSSCGKSA-N 2 1 245.370 2.013 20 0 BEADMP c1ccc([C@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)nc1 ZINC000923370231 644380671 /nfs/dbraw/zinc/38/06/71/644380671.db2.gz SPMIGTRPFIOVLX-ZDUSSCGKSA-N 2 1 245.370 2.013 20 0 BEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCc1cccc(F)c1 ZINC000923369387 644381599 /nfs/dbraw/zinc/38/15/99/644381599.db2.gz YHNCERQPDIFLEM-ZDUSSCGKSA-N 2 1 238.350 2.331 20 0 BEADMP CCCCCC[C@H](O)C[N@H+](C)C1(C[NH3+])CCC1 ZINC000923362930 644388213 /nfs/dbraw/zinc/38/82/13/644388213.db2.gz QUNWEOFKNZXOLK-ZDUSSCGKSA-N 2 1 242.407 2.131 20 0 BEADMP CCCCCC[C@H](O)C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000923362930 644388217 /nfs/dbraw/zinc/38/82/17/644388217.db2.gz QUNWEOFKNZXOLK-ZDUSSCGKSA-N 2 1 242.407 2.131 20 0 BEADMP [NH3+]CC12CC(C1)C[N@H+]2CC1CCC2(CC2)CC1 ZINC000923392673 644397284 /nfs/dbraw/zinc/39/72/84/644397284.db2.gz YXCTZIBOFKHHMJ-UHFFFAOYSA-N 2 1 234.387 2.380 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@@H]1C ZINC000084385657 644423113 /nfs/dbraw/zinc/42/31/13/644423113.db2.gz SMNWGLPOTAGPIU-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CC[C@H](C)C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085016293 644435454 /nfs/dbraw/zinc/43/54/54/644435454.db2.gz OTICXAHIGWGDEF-LOWDOPEQSA-N 2 1 210.365 2.234 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455566 644435820 /nfs/dbraw/zinc/43/58/20/644435820.db2.gz YAAYCYPJVHIZHV-CBBWQLFWSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H](c1ccccn1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495974 644462932 /nfs/dbraw/zinc/46/29/32/644462932.db2.gz FMHPLDUQRAEAKO-UPJWGTAASA-N 2 1 233.359 2.059 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC[C@@H]1C[NH3+] ZINC000923494515 644469486 /nfs/dbraw/zinc/46/94/86/644469486.db2.gz NMCZWBJSLGRXDG-RYPNDVFKSA-N 2 1 236.403 2.339 20 0 BEADMP C[C@@H](c1ccncc1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500272 644471948 /nfs/dbraw/zinc/47/19/48/644471948.db2.gz NDAXBXDKJAZILY-DYEKYZERSA-N 2 1 233.359 2.059 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2)CC[C@@H]1C[NH3+] ZINC000923498335 644472557 /nfs/dbraw/zinc/47/25/57/644472557.db2.gz HICJHAOKZXJCIE-DGCLKSJQSA-N 2 1 236.334 2.242 20 0 BEADMP C[C@@H](c1ccncc1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500274 644473232 /nfs/dbraw/zinc/47/32/32/644473232.db2.gz NDAXBXDKJAZILY-MBNYWOFBSA-N 2 1 233.359 2.059 20 0 BEADMP CC[C@@H](CC(F)F)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515623 644479211 /nfs/dbraw/zinc/47/92/11/644479211.db2.gz IOSJGNHGRVMGSV-SDDRHHMPSA-N 2 1 246.345 2.209 20 0 BEADMP CCc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923515773 644480328 /nfs/dbraw/zinc/48/03/28/644480328.db2.gz LWXICKXFPPABMI-JKSUJKDBSA-N 2 1 244.382 2.290 20 0 BEADMP C[C@@]1(Cc2cccs2)CCC[N@H+]1CCC[NH3+] ZINC000923529317 644485553 /nfs/dbraw/zinc/48/55/53/644485553.db2.gz CSISTSMWECEIJJ-ZDUSSCGKSA-N 2 1 238.400 2.494 20 0 BEADMP CCC(CC)[N@@H+](CCOC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000091546521 644629238 /nfs/dbraw/zinc/62/92/38/644629238.db2.gz SFZRFTZIFDSTHQ-OLZOCXBDSA-N 2 1 242.407 2.251 20 0 BEADMP CC[N@H+](Cc1ccccn1)C[C@]1(C)CCC[NH2+]C1 ZINC000094918361 644733478 /nfs/dbraw/zinc/73/34/78/644733478.db2.gz IRXQZHIMPZYXKN-OAHLLOKOSA-N 2 1 247.386 2.293 20 0 BEADMP CC[N@@H+](Cc1ccccn1)C[C@]1(C)CCC[NH2+]C1 ZINC000094918361 644733482 /nfs/dbraw/zinc/73/34/82/644733482.db2.gz IRXQZHIMPZYXKN-OAHLLOKOSA-N 2 1 247.386 2.293 20 0 BEADMP C[C@H]1C[N@@H+](CC2CCCCC2)CC[C@H]1C[NH3+] ZINC000251624969 644813164 /nfs/dbraw/zinc/81/31/64/644813164.db2.gz FCPMWKGCNOGEJL-JSGCOSHPSA-N 2 1 224.392 2.483 20 0 BEADMP CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000304357465 644895043 /nfs/dbraw/zinc/89/50/43/644895043.db2.gz LXPBDVXWHHNHST-SYQHCUMBSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@H]1CC[N@H+](Cc2ccccc2F)C[C@H]1C[NH3+] ZINC000253180389 644941441 /nfs/dbraw/zinc/94/14/41/644941441.db2.gz DMJHNUVJWANDSQ-WCQYABFASA-N 2 1 236.334 2.242 20 0 BEADMP C[C@H]1CC[N@@H+](Cc2ccccc2F)C[C@H]1C[NH3+] ZINC000253180389 644941444 /nfs/dbraw/zinc/94/14/44/644941444.db2.gz DMJHNUVJWANDSQ-WCQYABFASA-N 2 1 236.334 2.242 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCc1ccco1 ZINC000926729369 645390491 /nfs/dbraw/zinc/39/04/91/645390491.db2.gz WRBWETVNUFPGAO-NNQSOWQGSA-N 2 1 248.370 2.142 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]23C[C@H]2CCC3)[C@@H](C)C1 ZINC000927119012 645554580 /nfs/dbraw/zinc/55/45/80/645554580.db2.gz IOLOFGPWTKYOJT-XGUBFFRZSA-N 2 1 236.403 2.497 20 0 BEADMP c1ccc2c(c1)C[C@@H]2C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925493486 645715792 /nfs/dbraw/zinc/71/57/92/645715792.db2.gz XVGGQFXDKHBVSR-UKRRQHHQSA-N 2 1 242.366 2.201 20 0 BEADMP CSC[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925501332 645944840 /nfs/dbraw/zinc/94/48/40/645944840.db2.gz BYNNCKQPZXDWRL-QWRGUYRKSA-N 2 1 228.405 2.002 20 0 BEADMP CC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000924538034 646056654 /nfs/dbraw/zinc/05/66/54/646056654.db2.gz QZRGWGHCTFNZIQ-RLAWYHOSSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000924646783 646084242 /nfs/dbraw/zinc/08/42/42/646084242.db2.gz HGBYFLNIJIGYAC-SFDCQRBFSA-N 2 1 236.403 2.495 20 0 BEADMP C[NH+](C)[C@H](C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2)C1CC1 ZINC000924718015 646095744 /nfs/dbraw/zinc/09/57/44/646095744.db2.gz ORDQNLAKXCRVFM-MYZSUADSSA-N 2 1 234.387 2.271 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000925012915 646156875 /nfs/dbraw/zinc/15/68/75/646156875.db2.gz XSIKXARIZMZJKI-GBJTYRQASA-N 2 1 234.387 2.273 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000925010281 646157181 /nfs/dbraw/zinc/15/71/81/646157181.db2.gz MESAGLRAYCBHOC-RQJABVFESA-N 2 1 224.392 2.352 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000925012914 646158174 /nfs/dbraw/zinc/15/81/74/646158174.db2.gz XSIKXARIZMZJKI-BYNSBNAKSA-N 2 1 234.387 2.273 20 0 BEADMP CC1CC(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000929696385 646253407 /nfs/dbraw/zinc/25/34/07/646253407.db2.gz LXVZALDTUQWOBI-SLTAFYQDSA-N 2 1 236.403 2.450 20 0 BEADMP C[C@H](N)[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccccc1 ZINC000925490508 646299005 /nfs/dbraw/zinc/29/90/05/646299005.db2.gz OBFDYGMDQDWJQG-DNIRFERGSA-N 2 1 204.317 2.073 20 0 BEADMP C[C@H](N)[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccccc1 ZINC000925490509 646300407 /nfs/dbraw/zinc/30/04/07/646300407.db2.gz OBFDYGMDQDWJQG-UKJIMTQDSA-N 2 1 204.317 2.073 20 0 BEADMP CC1CC(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000929780363 646307318 /nfs/dbraw/zinc/30/73/18/646307318.db2.gz GAZXCJIXOUNLCP-YIOUJQMASA-N 2 1 224.392 2.447 20 0 BEADMP CC1CC(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000929780363 646307323 /nfs/dbraw/zinc/30/73/23/646307323.db2.gz GAZXCJIXOUNLCP-YIOUJQMASA-N 2 1 224.392 2.447 20 0 BEADMP CC1CC(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000929780363 646307329 /nfs/dbraw/zinc/30/73/29/646307329.db2.gz GAZXCJIXOUNLCP-YIOUJQMASA-N 2 1 224.392 2.447 20 0 BEADMP CC1CC(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000929780363 646307331 /nfs/dbraw/zinc/30/73/31/646307331.db2.gz GAZXCJIXOUNLCP-YIOUJQMASA-N 2 1 224.392 2.447 20 0 BEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCc1ccsc1 ZINC000925526842 646317072 /nfs/dbraw/zinc/31/70/72/646317072.db2.gz MNMKYHLZAXZOIR-NSHDSACASA-N 2 1 224.373 2.021 20 0 BEADMP C[C@@H]([NH3+])[C@H]([NH2+]CC1CC1)c1ccccc1 ZINC000925535986 646321906 /nfs/dbraw/zinc/32/19/06/646321906.db2.gz MURQPEHPFIOIDI-MFKMUULPSA-N 2 1 204.317 2.075 20 0 BEADMP C[C@H]([NH3+])[C@@H]([NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000925583774 646346619 /nfs/dbraw/zinc/34/66/19/646346619.db2.gz NIHVXGZXLXPHQL-COPLHBTASA-N 2 1 218.344 2.463 20 0 BEADMP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925603462 646355380 /nfs/dbraw/zinc/35/53/80/646355380.db2.gz BYHCUWYJQDXFNX-FRRDWIJNSA-N 2 1 222.376 2.439 20 0 BEADMP FC1(F)CCC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925617168 646364550 /nfs/dbraw/zinc/36/45/50/646364550.db2.gz BGJVHIGQBVIVCR-MNOVXSKESA-N 2 1 244.329 2.439 20 0 BEADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1cncc(F)c1 ZINC000925635929 646379688 /nfs/dbraw/zinc/37/96/88/646379688.db2.gz VCTNIFGMZRJYAL-BIMULSAOSA-N 2 1 249.333 2.141 20 0 BEADMP C[C@H]([NH3+])[C@@H]([NH2+]CC[C@@H]1CCOC1)c1ccccc1 ZINC000925638143 646381627 /nfs/dbraw/zinc/38/16/27/646381627.db2.gz YHAYXACXJYWAPJ-GZBFAFLISA-N 2 1 248.370 2.091 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000925656860 646395072 /nfs/dbraw/zinc/39/50/72/646395072.db2.gz QBEZWZBPIRYUCL-AXFHLTTASA-N 2 1 232.318 2.152 20 0 BEADMP COCC(C)(C)CCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925673398 646403783 /nfs/dbraw/zinc/40/37/83/646403783.db2.gz NXENTNTUHQFPMD-CHWSQXEVSA-N 2 1 242.407 2.169 20 0 BEADMP CC1(C)C[C@@H]1[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925685498 646412985 /nfs/dbraw/zinc/41/29/85/646412985.db2.gz JUIMUKKGDZIWNS-MNOVXSKESA-N 2 1 208.349 2.049 20 0 BEADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925694920 646419877 /nfs/dbraw/zinc/41/98/77/646419877.db2.gz VAAZLKINNVNBJF-MROQNXINSA-N 2 1 210.365 2.009 20 0 BEADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925694921 646420414 /nfs/dbraw/zinc/42/04/14/646420414.db2.gz VAAZLKINNVNBJF-VOAKCMCISA-N 2 1 210.365 2.009 20 0 BEADMP CC(C)(C[NH2+][C@@H]1CC[NH2+]C1(C)C)c1cccnc1 ZINC000925694450 646420665 /nfs/dbraw/zinc/42/06/65/646420665.db2.gz ULTOZNVIJIXHBC-CYBMUJFWSA-N 2 1 247.386 2.089 20 0 BEADMP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ncc[nH]2)cc1 ZINC000925699426 646423836 /nfs/dbraw/zinc/42/38/36/646423836.db2.gz ONPSHLDSZTZPMJ-MNOVXSKESA-N 2 1 244.342 2.280 20 0 BEADMP CSCC1(CC[NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925705747 646431276 /nfs/dbraw/zinc/43/12/76/646431276.db2.gz LGHQRJZIJBDMLZ-NWDGAFQWSA-N 2 1 242.432 2.250 20 0 BEADMP C[C@H]([NH3+])[C@H](NCCCCCC[NH3+])c1ccccc1 ZINC000925713408 646438542 /nfs/dbraw/zinc/43/85/42/646438542.db2.gz RVWBYZXSLGEPPO-ZFWWWQNUSA-N 2 1 249.402 2.184 20 0 BEADMP C[C@H]([NH3+])[C@H]([NH2+]CCCCCC[NH3+])c1ccccc1 ZINC000925713408 646438544 /nfs/dbraw/zinc/43/85/44/646438544.db2.gz RVWBYZXSLGEPPO-ZFWWWQNUSA-N 3 1 249.402 2.184 20 0 BEADMP CO[C@H]1C[C@@H](C[NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])C1 ZINC000925717421 646442744 /nfs/dbraw/zinc/44/27/44/646442744.db2.gz GGSGAWWFUCDFCO-RJZRQDKASA-N 2 1 248.370 2.090 20 0 BEADMP CCC[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)OCC ZINC000925724023 646449738 /nfs/dbraw/zinc/44/97/38/646449738.db2.gz VRNYRNQJEOZAEL-CHWSQXEVSA-N 2 1 240.391 2.066 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@]1(C)CC1(C)C ZINC000925733563 646451160 /nfs/dbraw/zinc/45/11/60/646451160.db2.gz JYWNLQWFOXRHRS-NTZNESFSSA-N 2 1 210.365 2.010 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000925732824 646456718 /nfs/dbraw/zinc/45/67/18/646456718.db2.gz DJZVCPJXQHOLJY-AAEUAGOBSA-N 2 1 222.376 2.154 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(C)CC(F)(F)C1 ZINC000925734485 646457993 /nfs/dbraw/zinc/45/79/93/646457993.db2.gz RRGFHOZIMFOHTD-NXEZZACHSA-N 2 1 232.318 2.009 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(C)CC(F)(F)C1 ZINC000925734489 646458929 /nfs/dbraw/zinc/45/89/29/646458929.db2.gz RRGFHOZIMFOHTD-ZJUUUORDSA-N 2 1 232.318 2.009 20 0 BEADMP C[C@H](C1CC1)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000930170879 646473922 /nfs/dbraw/zinc/47/39/22/646473922.db2.gz HVUBKRSGQZBINM-GFCCVEGCSA-N 2 1 222.376 2.345 20 0 BEADMP C[C@H](C1CC1)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000930170879 646473926 /nfs/dbraw/zinc/47/39/26/646473926.db2.gz HVUBKRSGQZBINM-GFCCVEGCSA-N 2 1 222.376 2.345 20 0 BEADMP CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccccn1 ZINC000925786502 646483800 /nfs/dbraw/zinc/48/38/00/646483800.db2.gz SUIROYCXUACLFG-HZSPNIEDSA-N 2 1 247.386 2.368 20 0 BEADMP CCc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)o1 ZINC000925790698 646484936 /nfs/dbraw/zinc/48/49/36/646484936.db2.gz JTYUSNISOHRINP-WOPDTQHZSA-N 2 1 236.359 2.348 20 0 BEADMP c1ccc(C2(CC[NH2+][C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000925804496 646488913 /nfs/dbraw/zinc/48/89/13/646488913.db2.gz IMQRGPUYEQZYJR-CQSZACIVSA-N 2 1 230.355 2.060 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccccn1 ZINC000926448221 646639925 /nfs/dbraw/zinc/63/99/25/646639925.db2.gz WRCBVUJKTZVIRO-KGLIPLIRSA-N 2 1 249.402 2.331 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccccn1 ZINC000926448221 646639929 /nfs/dbraw/zinc/63/99/29/646639929.db2.gz WRCBVUJKTZVIRO-KGLIPLIRSA-N 2 1 249.402 2.331 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCC1CCCC1 ZINC000396717296 711703310 /nfs/dbraw/zinc/70/33/10/711703310.db2.gz RTZZETOJAYJVIT-AAEUAGOBSA-N 2 1 210.365 2.297 20 0 BEADMP CSC1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000706927317 712161615 /nfs/dbraw/zinc/16/16/15/712161615.db2.gz GSQRQQHTWZHUQP-CQLXCSJHSA-N 2 1 240.416 2.097 20 0 BEADMP CC1(C)CO[C@@H](C[N@H+]2CCCC[C@@H]2CC[NH3+])C1 ZINC000708325991 712187777 /nfs/dbraw/zinc/18/77/77/712187777.db2.gz ZBTPOEPRXBBSNA-CHWSQXEVSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@H]1CC(C)(C)OC1(C)C ZINC000709702650 712215964 /nfs/dbraw/zinc/21/59/64/712215964.db2.gz NXZQOMFRXGFNOB-IJLUTSLNSA-N 2 1 240.391 2.002 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@H]1CC(C)(C)OC1(C)C ZINC000709702650 712215965 /nfs/dbraw/zinc/21/59/65/712215965.db2.gz NXZQOMFRXGFNOB-IJLUTSLNSA-N 2 1 240.391 2.002 20 0 BEADMP C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)C1CCC1 ZINC000709893429 712231336 /nfs/dbraw/zinc/23/13/36/712231336.db2.gz SNAKBFLABMTVCG-CQSZACIVSA-N 2 1 222.376 2.252 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1CC1(C)C ZINC000710800732 712257113 /nfs/dbraw/zinc/25/71/13/712257113.db2.gz XNNRWDHOSPTUAT-LBPRGKRZSA-N 2 1 212.381 2.483 20 0 BEADMP C[C@@H]1C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)CC[C@H]1[NH3+] ZINC000712683218 712440615 /nfs/dbraw/zinc/44/06/15/712440615.db2.gz FYKJAEPDHAXNHX-RUZUBIRVSA-N 2 1 222.376 2.092 20 0 BEADMP C=C/C=C/CC[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000713737165 712470575 /nfs/dbraw/zinc/47/05/75/712470575.db2.gz ZSNTWEOBNXZUKP-MUBLQREKSA-N 2 1 208.349 2.050 20 0 BEADMP C[N@@H+](C[C@H]1CCCC(C)(C)O1)CC(C)(C)C[NH3+] ZINC000714379846 712480131 /nfs/dbraw/zinc/48/01/31/712480131.db2.gz LUDIVIZJJGKFOA-GFCCVEGCSA-N 2 1 242.407 2.251 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H]1CCCC(C)(C)O1 ZINC000714374718 712484460 /nfs/dbraw/zinc/48/44/60/712484460.db2.gz NRVRVZLBYLUQPJ-FRRDWIJNSA-N 2 1 240.391 2.146 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CCCC(C)(C)O1 ZINC000714374720 712484729 /nfs/dbraw/zinc/48/47/29/712484729.db2.gz NRVRVZLBYLUQPJ-UPJWGTAASA-N 2 1 240.391 2.146 20 0 BEADMP C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C1CC[NH2+]CC1 ZINC000714853803 712502006 /nfs/dbraw/zinc/50/20/06/712502006.db2.gz YPMDMJGWUXPEMY-OCCSQVGLSA-N 2 1 222.376 2.106 20 0 BEADMP CCCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000037484315 712650826 /nfs/dbraw/zinc/65/08/26/712650826.db2.gz GALKURQDIPGZHO-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000037485284 712650955 /nfs/dbraw/zinc/65/09/55/712650955.db2.gz PMMGYGRRPBRKBX-TZMCWYRMSA-N 2 1 224.392 2.495 20 0 BEADMP C[N@@H+](CCCC(C)(F)F)C1CC[NH2+]CC1 ZINC000718570081 712774777 /nfs/dbraw/zinc/77/47/77/712774777.db2.gz IMZFLZBFJQRDKC-UHFFFAOYSA-N 2 1 220.307 2.106 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCC(C)(F)F)C1 ZINC000718569759 712775010 /nfs/dbraw/zinc/77/50/10/712775010.db2.gz HMUWOMKMJAXMFJ-UWVGGRQHSA-N 2 1 220.307 2.091 20 0 BEADMP CC(C)(C)CC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037904459 712785472 /nfs/dbraw/zinc/78/54/72/712785472.db2.gz LKGKXUMZAJWBFS-GFCCVEGCSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1OCC[N@@H+](CCCCCCC[NH3+])[C@H]1C ZINC000380492808 712901198 /nfs/dbraw/zinc/90/11/98/712901198.db2.gz AYTFQNFSUKSUIY-QWHCGFSZSA-N 2 1 228.380 2.005 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[C@H](C)C2)C[C@H]1[NH3+] ZINC000723469762 710727764 /nfs/dbraw/zinc/72/77/64/710727764.db2.gz IALMBPNPHJGOON-QNWHQSFQSA-N 2 1 210.365 2.092 20 0 BEADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000383994984 710988131 /nfs/dbraw/zinc/98/81/31/710988131.db2.gz AATPGSLGIGAVAH-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP CSC(C)(C)CC[NH2+]CCn1cc[nH+]c1C ZINC000385346671 711011732 /nfs/dbraw/zinc/01/17/32/711011732.db2.gz ZLVHWFQZYGGYGO-UHFFFAOYSA-N 2 1 241.404 2.313 20 0 BEADMP C[C@H]([N@@H+](C)C[C@@]1(C)CCC[NH2+]C1)C1(C)CC1 ZINC000385467757 711013442 /nfs/dbraw/zinc/01/34/42/711013442.db2.gz ORWSYBSOILDMJJ-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)[NH+]1CCC([NH2+]C/C=C\Cl)CC1 ZINC000387393610 711041985 /nfs/dbraw/zinc/04/19/85/711041985.db2.gz JQXJFRRZVIKDGB-UTCJRWHESA-N 2 1 216.756 2.201 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000387697733 711045758 /nfs/dbraw/zinc/04/57/58/711045758.db2.gz JTGGIYYZNKMFBA-RDBSUJKOSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000387697733 711045763 /nfs/dbraw/zinc/04/57/63/711045763.db2.gz JTGGIYYZNKMFBA-RDBSUJKOSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)C/C=C\Cl ZINC000388454646 711061339 /nfs/dbraw/zinc/06/13/39/711061339.db2.gz WFLOSOMPCZUQPT-OAQKJQOQSA-N 2 1 204.745 2.044 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C/C=C\Cl ZINC000388454646 711061343 /nfs/dbraw/zinc/06/13/43/711061343.db2.gz WFLOSOMPCZUQPT-OAQKJQOQSA-N 2 1 204.745 2.044 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000390434850 711116100 /nfs/dbraw/zinc/11/61/00/711116100.db2.gz RMOYKUYMULZTEA-ZUWCUPBKSA-N 2 1 224.392 2.493 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000390434850 711116102 /nfs/dbraw/zinc/11/61/02/711116102.db2.gz RMOYKUYMULZTEA-ZUWCUPBKSA-N 2 1 224.392 2.493 20 0 BEADMP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccccc1 ZINC000392918054 711154181 /nfs/dbraw/zinc/15/41/81/711154181.db2.gz MGQDFPAPSYSTAQ-ZVCZDLMOSA-N 2 1 242.366 2.334 20 0 BEADMP [NH3+]CC[C@H]1CCC[N@@H+](CCCC2CC2)C1 ZINC000394493368 711194069 /nfs/dbraw/zinc/19/40/69/711194069.db2.gz LRVFNSOINNWDTL-CYBMUJFWSA-N 2 1 210.365 2.237 20 0 BEADMP Cc1ccsc1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000393947301 711180329 /nfs/dbraw/zinc/18/03/29/711180329.db2.gz FJNOWJCNJQXFTD-FFNLUWKOSA-N 2 1 248.395 2.143 20 0 BEADMP Cc1ccsc1C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000393947305 711180496 /nfs/dbraw/zinc/18/04/96/711180496.db2.gz FJNOWJCNJQXFTD-JZKMBYMZSA-N 2 1 248.395 2.143 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1cccs1 ZINC000396548845 711353419 /nfs/dbraw/zinc/35/34/19/711353419.db2.gz DDXSYJKROMJPHO-PWSUYJOCSA-N 2 1 224.373 2.021 20 0 BEADMP Cc1ccccc1CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396566355 711355096 /nfs/dbraw/zinc/35/50/96/711355096.db2.gz VVHMUSNIHGWIGZ-UKRRQHHQSA-N 2 1 232.371 2.268 20 0 BEADMP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000396570676 711355139 /nfs/dbraw/zinc/35/51/39/711355139.db2.gz LESJISNXQSHQNP-NNYUYHANSA-N 2 1 228.405 2.001 20 0 BEADMP CS[C@@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000396570675 711355528 /nfs/dbraw/zinc/35/55/28/711355528.db2.gz LESJISNXQSHQNP-KXNHARMFSA-N 2 1 228.405 2.001 20 0 BEADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000396639693 711357907 /nfs/dbraw/zinc/35/79/07/711357907.db2.gz ASLQSMCBKMZZBS-FVCCEPFGSA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)C1(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396703512 711365982 /nfs/dbraw/zinc/36/59/82/711365982.db2.gz LUUKNPROTGXGES-NWDGAFQWSA-N 2 1 210.365 2.153 20 0 BEADMP C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)C1CCC1 ZINC000398647561 711413585 /nfs/dbraw/zinc/41/35/85/711413585.db2.gz AGZFNSHGZXUCEV-UHFFFAOYSA-N 2 1 222.376 2.252 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc[nH]1 ZINC000381304668 710618325 /nfs/dbraw/zinc/61/83/25/710618325.db2.gz JLVLVFRRXWQGPM-SRVKXCTJSA-N 2 1 221.348 2.148 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc[nH]1 ZINC000381304668 710618328 /nfs/dbraw/zinc/61/83/28/710618328.db2.gz JLVLVFRRXWQGPM-SRVKXCTJSA-N 2 1 221.348 2.148 20 0 BEADMP CC[C@@H]1[C@H](C)CC[N@H+]1CCC[NH2+]C1CC1 ZINC000383629484 710984058 /nfs/dbraw/zinc/98/40/58/710984058.db2.gz VPBUXESKMDTAMC-DGCLKSJQSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1CCSCC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000385583960 711014204 /nfs/dbraw/zinc/01/42/04/711014204.db2.gz XYKQVEMFCLBLRE-OLZOCXBDSA-N 2 1 242.432 2.204 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](CCCC2CC2)C[C@H]1C[NH3+] ZINC000397476385 711384285 /nfs/dbraw/zinc/38/42/85/711384285.db2.gz HFQJAQPCDHNTBE-MBNYWOFBSA-N 2 1 224.392 2.482 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](CCSc2ccccc2)C1 ZINC000050249346 711493645 /nfs/dbraw/zinc/49/36/45/711493645.db2.gz UKEZDFJHILYANW-LBPRGKRZSA-N 2 1 236.384 2.059 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CC[NH3+] ZINC000723608751 711525146 /nfs/dbraw/zinc/52/51/46/711525146.db2.gz QYVHEEKPHOBNCG-TZMCWYRMSA-N 2 1 218.344 2.103 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723678356 711534141 /nfs/dbraw/zinc/53/41/41/711534141.db2.gz JZZPOORMCCEWGF-HZSPNIEDSA-N 2 1 224.392 2.483 20 0 BEADMP Cc1cc(C)nc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000723846369 711538923 /nfs/dbraw/zinc/53/89/23/711538923.db2.gz RGEKRTOFARIMDP-CQSZACIVSA-N 2 1 247.386 2.259 20 0 BEADMP Cc1cc(C)nc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000723879485 711541943 /nfs/dbraw/zinc/54/19/43/711541943.db2.gz PAGFVOMLOPMFCA-TZMCWYRMSA-N 2 1 247.386 2.115 20 0 BEADMP COc1cccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000723901044 711544049 /nfs/dbraw/zinc/54/40/49/711544049.db2.gz MKRZYCZAOARFJG-TZMCWYRMSA-N 2 1 248.370 2.112 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1CC[NH3+] ZINC000723909609 711544633 /nfs/dbraw/zinc/54/46/33/711544633.db2.gz RKGNYBHOJIELBH-DGCLKSJQSA-N 2 1 236.334 2.242 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@H]1CC[NH3+] ZINC000723902478 711544766 /nfs/dbraw/zinc/54/47/66/711544766.db2.gz OYLXSTVZMYINIB-RYPNDVFKSA-N 2 1 236.403 2.339 20 0 BEADMP C[C@@H]1C[N@@H+](CCC2CCC2)C[C@H]1CC[NH3+] ZINC000723902249 711545253 /nfs/dbraw/zinc/54/52/53/711545253.db2.gz NVIGIAKQIZCGKL-DGCLKSJQSA-N 2 1 210.365 2.093 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C[C@H]1CC[NH3+] ZINC000723929565 711545857 /nfs/dbraw/zinc/54/58/57/711545857.db2.gz OYLXSTVZMYINIB-UXXRCYHCSA-N 2 1 236.403 2.339 20 0 BEADMP CNc1ccccc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000383318469 711578256 /nfs/dbraw/zinc/57/82/56/711578256.db2.gz SBBCXSARHBKWBM-GFCCVEGCSA-N 2 1 235.375 2.158 20 0 BEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cccs1 ZINC000083758571 711661864 /nfs/dbraw/zinc/66/18/64/711661864.db2.gz GJFXRTHZRYNBFS-JTQLQIEISA-N 2 1 212.362 2.211 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(C)CC(F)(F)C1 ZINC000720902329 711686925 /nfs/dbraw/zinc/68/69/25/711686925.db2.gz VVKCLCZDHKKYBR-ZJUUUORDSA-N 2 1 232.318 2.152 20 0 BEADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccn1 ZINC000925714081 711712255 /nfs/dbraw/zinc/71/22/55/711712255.db2.gz NOVJDYRXKQYSJY-JSGCOSHPSA-N 2 1 245.370 2.059 20 0 BEADMP [NH3+]C1(C[NH2+][C@H]2CCCc3n[nH]cc32)CCCCC1 ZINC000335008163 711719481 /nfs/dbraw/zinc/71/94/81/711719481.db2.gz HHFSJRMVMDTSGW-LBPRGKRZSA-N 2 1 248.374 2.038 20 0 BEADMP C(C1CCCC1)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000257644389 711720700 /nfs/dbraw/zinc/72/07/00/711720700.db2.gz BSCDKGGUBMQOAC-CQSZACIVSA-N 2 1 222.376 2.395 20 0 BEADMP Fc1cccc(CC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000257649701 711723485 /nfs/dbraw/zinc/72/34/85/711723485.db2.gz CYNABYQMHUTYJI-OAHLLOKOSA-N 2 1 248.345 2.054 20 0 BEADMP Fc1cccc(CC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000257649701 711723486 /nfs/dbraw/zinc/72/34/86/711723486.db2.gz CYNABYQMHUTYJI-OAHLLOKOSA-N 2 1 248.345 2.054 20 0 BEADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000337340787 711774809 /nfs/dbraw/zinc/77/48/09/711774809.db2.gz PSRDNUNGASUZIF-MCIONIFRSA-N 2 1 240.391 2.016 20 0 BEADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000337340787 711774811 /nfs/dbraw/zinc/77/48/11/711774811.db2.gz PSRDNUNGASUZIF-MCIONIFRSA-N 2 1 240.391 2.016 20 0 BEADMP F[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000866451344 711799149 /nfs/dbraw/zinc/79/91/49/711799149.db2.gz IVADRIVKWAFBBZ-KGLIPLIRSA-N 2 1 240.366 2.484 20 0 BEADMP CSC[C@H]1CCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000700271366 711989290 /nfs/dbraw/zinc/98/92/90/711989290.db2.gz AVROYTOTEGKLJQ-CHWSQXEVSA-N 2 1 242.432 2.204 20 0 BEADMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@H]2CCC=CO2)C1 ZINC000700812280 712006897 /nfs/dbraw/zinc/00/68/97/712006897.db2.gz HRXWHALCXXTDFG-ZIAGYGMSSA-N 2 1 238.375 2.001 20 0 BEADMP CCCCCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702119062 712039478 /nfs/dbraw/zinc/03/94/78/712039478.db2.gz CUHPXWUOQIHPKP-QWHCGFSZSA-N 2 1 210.365 2.108 20 0 BEADMP FC1(F)CCC[N@@H+](CCC[NH2+]C2CC2)CC1 ZINC000702834394 712061367 /nfs/dbraw/zinc/06/13/67/712061367.db2.gz DJBPJNYYWMSIMQ-UHFFFAOYSA-N 2 1 232.318 2.250 20 0 BEADMP C[C@H]1CCCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000703211901 712068421 /nfs/dbraw/zinc/06/84/21/712068421.db2.gz HRWDVYVROHUVLB-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP Cc1ccsc1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703538671 712078838 /nfs/dbraw/zinc/07/88/38/712078838.db2.gz PUNNPEIBZKGNGT-WCQYABFASA-N 2 1 236.384 2.098 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000703598082 712079929 /nfs/dbraw/zinc/07/99/29/712079929.db2.gz YWONCVLLGQOGIM-JKSUJKDBSA-N 2 1 244.382 2.345 20 0 BEADMP Cc1cc(F)ccc1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703601478 712082264 /nfs/dbraw/zinc/08/22/64/712082264.db2.gz PXDORPNVMYKDSX-DZGCQCFKSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703601478 712082266 /nfs/dbraw/zinc/08/22/66/712082266.db2.gz PXDORPNVMYKDSX-DZGCQCFKSA-N 2 1 248.345 2.175 20 0 BEADMP CSC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000706931785 712161893 /nfs/dbraw/zinc/16/18/93/712161893.db2.gz RWDZSBYDLCSNKY-ACDMLXGOSA-N 2 1 240.416 2.095 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[C@H](C)C2)C[C@H]1C[NH3+] ZINC000708208571 712183780 /nfs/dbraw/zinc/18/37/80/712183780.db2.gz YKJLQUOWKUPZSJ-RFQIPJPRSA-N 2 1 224.392 2.339 20 0 BEADMP CCC[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000708440363 712194629 /nfs/dbraw/zinc/19/46/29/712194629.db2.gz JXVRJFXEUNEQRW-MNOVXSKESA-N 2 1 234.334 2.481 20 0 BEADMP CCC[C@@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000708440363 712194632 /nfs/dbraw/zinc/19/46/32/712194632.db2.gz JXVRJFXEUNEQRW-MNOVXSKESA-N 2 1 234.334 2.481 20 0 BEADMP CCC[C@H]1C[N@@H+](CCCCCCC[NH3+])CCO1 ZINC000708896437 712202475 /nfs/dbraw/zinc/20/24/75/712202475.db2.gz DEZOFMWXTJWKSM-AWEZNQCLSA-N 2 1 242.407 2.397 20 0 BEADMP C[C@H](C[N@H+]1CCCO[C@@H](C[NH3+])C1)CC(C)(C)C ZINC000709179894 712204450 /nfs/dbraw/zinc/20/44/50/712204450.db2.gz VCHZTLBBVNVQNA-STQMWFEESA-N 2 1 242.407 2.108 20 0 BEADMP C[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CC(C)(C)C ZINC000709121834 712209234 /nfs/dbraw/zinc/20/92/34/712209234.db2.gz GQAIAHUKIZPULE-UPJWGTAASA-N 2 1 224.392 2.210 20 0 BEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(F)cc1)C2 ZINC000709839952 712229458 /nfs/dbraw/zinc/22/94/58/712229458.db2.gz ZVTFALRIYXVHNJ-UBHSHLNASA-N 2 1 234.318 2.137 20 0 BEADMP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709893794 712231264 /nfs/dbraw/zinc/23/12/64/712231264.db2.gz VAUDDRZCPDJDIT-QXSJWSMHSA-N 2 1 248.414 2.498 20 0 BEADMP Cc1ncccc1C[N@@H+](C)CCCCCC[NH3+] ZINC000710706692 712254938 /nfs/dbraw/zinc/25/49/38/712254938.db2.gz WZTFBLDFFQVDQH-UHFFFAOYSA-N 2 1 235.375 2.341 20 0 BEADMP COCC(C)(C)C[N@@H+](C)CCCCCC[NH3+] ZINC000710798662 712257288 /nfs/dbraw/zinc/25/72/88/712257288.db2.gz LAHTWOWQZXCCFX-UHFFFAOYSA-N 2 1 230.396 2.110 20 0 BEADMP CCc1cnc(C[N@H+](C)CCCCCC[NH3+])o1 ZINC000710818879 712257409 /nfs/dbraw/zinc/25/74/09/712257409.db2.gz JUMZZVIASHGLHC-UHFFFAOYSA-N 2 1 239.363 2.188 20 0 BEADMP CCc1cnc(C[N@@H+](C)CCCCCC[NH3+])o1 ZINC000710818879 712257412 /nfs/dbraw/zinc/25/74/12/712257412.db2.gz JUMZZVIASHGLHC-UHFFFAOYSA-N 2 1 239.363 2.188 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000711144436 712285270 /nfs/dbraw/zinc/28/52/70/712285270.db2.gz MLAZDLOINPJYDP-DABQJJPHSA-N 2 1 222.376 2.249 20 0 BEADMP FC[C@@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000711511846 712308272 /nfs/dbraw/zinc/30/82/72/712308272.db2.gz FLWNALPTNBNEKH-ZDUSSCGKSA-N 2 1 248.345 2.124 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000923479454 712334534 /nfs/dbraw/zinc/33/45/34/712334534.db2.gz PCJQJFZLCGIDLC-GFCCVEGCSA-N 2 1 243.354 2.339 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CC[C@H](CC[NH3+])C2)c(C)n1 ZINC000923478711 712334753 /nfs/dbraw/zinc/33/47/53/712334753.db2.gz HNYHODHMFVRNHE-AWEZNQCLSA-N 2 1 247.386 2.178 20 0 BEADMP C[C@@H]1c2sccc2CC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000712263436 712344938 /nfs/dbraw/zinc/34/49/38/712344938.db2.gz HMKZIFCVDRJGEU-GHMZBOCLSA-N 2 1 236.384 2.277 20 0 BEADMP C[C@H]1CSCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000379538597 712387475 /nfs/dbraw/zinc/38/74/75/712387475.db2.gz DRSYCTADWCUIAM-CHWSQXEVSA-N 2 1 242.432 2.061 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CCC(C)(C)CO1 ZINC000713583869 712465924 /nfs/dbraw/zinc/46/59/24/712465924.db2.gz BITKUTMHQNPWJR-AGIUHOORSA-N 2 1 240.391 2.003 20 0 BEADMP C=C/C=C\CC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000713640269 712467876 /nfs/dbraw/zinc/46/78/76/712467876.db2.gz FJVKZSNFYFOAIF-YOQOKRQFSA-N 2 1 220.360 2.050 20 0 BEADMP C=C/C=C/CC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000713700480 712469196 /nfs/dbraw/zinc/46/91/96/712469196.db2.gz CENYBCZWMXCIQY-DRHCNIFCSA-N 2 1 208.349 2.178 20 0 BEADMP C=C/C=C\CC[N@H+]1CCCC[C@@H]1C[NH2+]C ZINC000713731259 712470537 /nfs/dbraw/zinc/47/05/37/712470537.db2.gz FBKQLZXXRZCHFR-DSYXLKISSA-N 2 1 208.349 2.193 20 0 BEADMP C=C/C=C\CC[N@@H+]1CCCC[C@@H]1C[NH2+]C ZINC000713731259 712470539 /nfs/dbraw/zinc/47/05/39/712470539.db2.gz FBKQLZXXRZCHFR-DSYXLKISSA-N 2 1 208.349 2.193 20 0 BEADMP C=C/C=C/CC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713756966 712471782 /nfs/dbraw/zinc/47/17/82/712471782.db2.gz XNUUPSRQYYQRKD-ONEGZZNKSA-N 2 1 220.360 2.337 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@@H]2CCCC(C)(C)O2)CC1 ZINC000714319671 712481755 /nfs/dbraw/zinc/48/17/55/712481755.db2.gz BBDOXYVACUTIRD-ZDUSSCGKSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000714375221 712484492 /nfs/dbraw/zinc/48/44/92/712484492.db2.gz SEHQGDIAUYSEIS-OCCSQVGLSA-N 2 1 240.391 2.005 20 0 BEADMP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)[C@@H]1C[C@H]1C1CC1 ZINC000714799332 712498363 /nfs/dbraw/zinc/49/83/63/712498363.db2.gz IXEIOVSDNMBPJN-LVQVYYBASA-N 2 1 248.414 2.497 20 0 BEADMP C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)[C@@H]1C[C@H]1C1CC1 ZINC000714799332 712498365 /nfs/dbraw/zinc/49/83/65/712498365.db2.gz IXEIOVSDNMBPJN-LVQVYYBASA-N 2 1 248.414 2.497 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC[C@@H]3C[C@H]3C3CC3)C[C@@H]21 ZINC000714930387 712500664 /nfs/dbraw/zinc/50/06/64/712500664.db2.gz ARNQLCQEWQEYMJ-OLMNGRFOSA-N 2 1 248.414 2.482 20 0 BEADMP CC[C@H]1C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)CC[C@@H]1[NH3+] ZINC000714833102 712501379 /nfs/dbraw/zinc/50/13/79/712501379.db2.gz RZKKEVAVSHJDMS-ATGSNQNLSA-N 2 1 236.403 2.482 20 0 BEADMP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000716531544 712567185 /nfs/dbraw/zinc/56/71/85/712567185.db2.gz NNEWQJMOCXHZIH-YOVYLDAJSA-N 2 1 222.376 2.009 20 0 BEADMP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000716622807 712568024 /nfs/dbraw/zinc/56/80/24/712568024.db2.gz JMZLDYSGVHZZMN-HHEPCMPZSA-N 2 1 248.414 2.493 20 0 BEADMP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000716639554 712568490 /nfs/dbraw/zinc/56/84/90/712568490.db2.gz VZPXEEGEBCECHF-SDSMMKDESA-N 2 1 248.414 2.495 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC000717015858 712604641 /nfs/dbraw/zinc/60/46/41/712604641.db2.gz CILVSINUIIEZJN-PEDHHIEDSA-N 2 1 222.376 2.153 20 0 BEADMP CC[C@@]1(C)CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000717970622 712736119 /nfs/dbraw/zinc/73/61/19/712736119.db2.gz PZPCTBPFMUTAJJ-AGIUHOORSA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@H]([NH2+]CC[NH3+])c1cccc(Cl)c1 ZINC000037712400 712745011 /nfs/dbraw/zinc/74/50/11/712745011.db2.gz MGRAUVVWJFLVQR-NSHDSACASA-N 2 1 212.724 2.339 20 0 BEADMP CC(F)(F)CCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000718608773 712773163 /nfs/dbraw/zinc/77/31/63/712773163.db2.gz QYHTUEUYUWFGEW-NWDGAFQWSA-N 2 1 246.345 2.496 20 0 BEADMP CC(F)(F)CCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000718608773 712773165 /nfs/dbraw/zinc/77/31/65/712773165.db2.gz QYHTUEUYUWFGEW-NWDGAFQWSA-N 2 1 246.345 2.496 20 0 BEADMP CC(F)(F)CCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000718568319 712774273 /nfs/dbraw/zinc/77/42/73/712774273.db2.gz ATBKWNAMVPEMSP-NSHDSACASA-N 2 1 234.334 2.483 20 0 BEADMP CC(F)(F)CCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000718570690 712774715 /nfs/dbraw/zinc/77/47/15/712774715.db2.gz KDBQLODOGWYQFE-UHFFFAOYSA-N 2 1 246.345 2.497 20 0 BEADMP C[C@H]1CCCC[C@@H]1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720658028 712860891 /nfs/dbraw/zinc/86/08/91/712860891.db2.gz QXZQGFANMWHGIB-LJISPDSOSA-N 2 1 236.403 2.354 20 0 BEADMP CS[C@@H](C)CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001208154608 957033540 /nfs/dbraw/zinc/03/35/40/957033540.db2.gz MVEPZLSYFWHMFU-QWHCGFSZSA-N 2 1 242.432 2.156 20 0 BEADMP CS[C@@H](C)CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001208154608 957033572 /nfs/dbraw/zinc/03/35/72/957033572.db2.gz MVEPZLSYFWHMFU-QWHCGFSZSA-N 2 1 242.432 2.156 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC23CCCC3)C[NH2+]1 ZINC000399041107 958497142 /nfs/dbraw/zinc/49/71/42/958497142.db2.gz QEYKQMPMQBABIA-GRYCIOLGSA-N 2 1 208.349 2.049 20 0 BEADMP CC(C)[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000693541977 958735632 /nfs/dbraw/zinc/73/56/32/958735632.db2.gz BDNJKWYHELJVIR-MCIONIFRSA-N 2 1 224.392 2.482 20 0 BEADMP CC[NH2+]CC[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000708799986 959827806 /nfs/dbraw/zinc/82/78/06/959827806.db2.gz TWTDXNCADAKUMG-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP CC[NH2+]CC[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000708799986 959827808 /nfs/dbraw/zinc/82/78/08/959827808.db2.gz TWTDXNCADAKUMG-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP C[NH2+]CCC[N@@H+](C)CC1CCC2(CC2)CC1 ZINC000695598969 960295094 /nfs/dbraw/zinc/29/50/94/960295094.db2.gz PUBHMHHUWBKQQC-UHFFFAOYSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1(Cl)CC1 ZINC000695675189 960348171 /nfs/dbraw/zinc/34/81/71/960348171.db2.gz RZULGRPPQJXESS-OUAUKWLOSA-N 2 1 230.783 2.219 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1(Cl)CC1 ZINC000695675189 960348183 /nfs/dbraw/zinc/34/81/83/960348183.db2.gz RZULGRPPQJXESS-OUAUKWLOSA-N 2 1 230.783 2.219 20 0 BEADMP Cc1cc[nH+]c(NCC[C@H]2CCC[N@H+]2C)c1 ZINC000710382734 962374893 /nfs/dbraw/zinc/37/48/93/962374893.db2.gz FDTUVSANEFZNKI-GFCCVEGCSA-N 2 1 219.332 2.286 20 0 BEADMP Cc1cc[nH+]c(NCC[C@H]2CCC[N@@H+]2C)c1 ZINC000710382734 962374898 /nfs/dbraw/zinc/37/48/98/962374898.db2.gz FDTUVSANEFZNKI-GFCCVEGCSA-N 2 1 219.332 2.286 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+]2C)C1 ZINC000710448751 962379592 /nfs/dbraw/zinc/37/95/92/962379592.db2.gz ZTNXAKBDJYQRAY-JHJVBQTASA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1CC[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000093088604 963292653 /nfs/dbraw/zinc/29/26/53/963292653.db2.gz OYJNFIGVDDRGHY-GXTWGEPZSA-N 2 1 224.392 2.449 20 0 BEADMP CCO[C@H](C[NH2+][C@H]1CCCC[C@@H]1C)C[NH+](C)C ZINC000926960964 964532311 /nfs/dbraw/zinc/53/23/11/964532311.db2.gz HSKQWGIKXALPCN-MJBXVCDLSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC001168465697 965811313 /nfs/dbraw/zinc/81/13/13/965811313.db2.gz VGVYVYHVFCXZTQ-RYUDHWBXSA-N 2 1 238.350 2.283 20 0 BEADMP Cc1cccc(C)c1C[N@H+](CCN)C(C)C ZINC000126173683 1165773340 /nfs/dbraw/zinc/77/33/40/1165773340.db2.gz WHBQMPCWKZEEIV-UHFFFAOYSA-N 2 1 220.360 2.473 20 0 BEADMP Cc1cccc(C)c1C[N@@H+](CC[NH3+])C(C)C ZINC000126173683 1165773346 /nfs/dbraw/zinc/77/33/46/1165773346.db2.gz WHBQMPCWKZEEIV-UHFFFAOYSA-N 2 1 220.360 2.473 20 0 BEADMP Cc1cccc(C)c1C[N@H+](CC[NH3+])C(C)C ZINC000126173683 1165773350 /nfs/dbraw/zinc/77/33/50/1165773350.db2.gz WHBQMPCWKZEEIV-UHFFFAOYSA-N 2 1 220.360 2.473 20 0 BEADMP C[N@@H+](CCC[NH+]1CCCC1)CC(C)(C)C ZINC000120498482 1165842710 /nfs/dbraw/zinc/84/27/10/1165842710.db2.gz BVDCZKDRZFUBCL-UHFFFAOYSA-N 2 1 212.381 2.450 20 0 BEADMP CCCCCC[C@@H](C)[N@H+](C)CC[NH2+]C ZINC000069801119 1165868484 /nfs/dbraw/zinc/86/84/84/1165868484.db2.gz KDHQDILJFMINHG-GFCCVEGCSA-N 2 1 200.370 2.497 20 0 BEADMP CCCCCC[C@@H](C)[N@@H+](C)CC[NH2+]C ZINC000069801119 1165868488 /nfs/dbraw/zinc/86/84/88/1165868488.db2.gz KDHQDILJFMINHG-GFCCVEGCSA-N 2 1 200.370 2.497 20 0 BEADMP C[C@H]1CC[N@@H+](CC(C)(C)C)CC[C@@H]1C[NH3+] ZINC001205599963 967717995 /nfs/dbraw/zinc/71/79/95/967717995.db2.gz ATMOFOCWWZEMDQ-NWDGAFQWSA-N 2 1 212.381 2.339 20 0 BEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccco2)CC1 ZINC001206296764 968197834 /nfs/dbraw/zinc/19/78/34/968197834.db2.gz URMFLIYDYKDDRJ-CYBMUJFWSA-N 2 1 222.332 2.231 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206292456 968200636 /nfs/dbraw/zinc/20/06/36/968200636.db2.gz BFJJCTVHWBDPMX-CYBMUJFWSA-N 2 1 212.381 2.483 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001207283588 968718417 /nfs/dbraw/zinc/71/84/17/968718417.db2.gz AHNKKKVETOFFJT-NEPJUHHUSA-N 2 1 210.365 2.059 20 0 BEADMP C[NH+]1CCC(C[N@@H+](CC2CC2)C2CC2)CC1 ZINC001207399815 968750890 /nfs/dbraw/zinc/75/08/90/968750890.db2.gz UVAQLPMDWGYOGI-UHFFFAOYSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]CCCc2ccccc2)C[NH2+]1 ZINC000399126267 1166148191 /nfs/dbraw/zinc/14/81/91/1166148191.db2.gz KNPNXBTVSUGOKV-ZFWWWQNUSA-N 2 1 232.371 2.349 20 0 BEADMP Cc1ccccc1CC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399148617 1166157226 /nfs/dbraw/zinc/15/72/26/1166157226.db2.gz YCRAIAGEWOSNAA-HIFRSBDPSA-N 2 1 232.371 2.268 20 0 BEADMP CCC[N@@H+](CCOC)CC1(C)CC[NH+](C)CC1 ZINC001208102319 968999747 /nfs/dbraw/zinc/99/97/47/968999747.db2.gz DVOOTVSIDMSOSV-UHFFFAOYSA-N 2 1 242.407 2.077 20 0 BEADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@](C)(CF)C2)CC1 ZINC001208107908 969001859 /nfs/dbraw/zinc/00/18/59/969001859.db2.gz MEVLHURLISYTHN-CQSZACIVSA-N 2 1 242.382 2.400 20 0 BEADMP CC[N@@H+](CC1(C)CC[NH+](C)CC1)C1CC1 ZINC001208104992 969004090 /nfs/dbraw/zinc/00/40/90/969004090.db2.gz QIBLSFSOSBVGFF-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP CS[C@@H](C)CC[N@@H+](C)CCC[NH+](C)C ZINC001208136722 969041888 /nfs/dbraw/zinc/04/18/88/969041888.db2.gz CLOOSCBZDZFIPJ-NSHDSACASA-N 2 1 218.410 2.012 20 0 BEADMP C(C[N@H+]1CC[C@H]2CCCC[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000227640649 1166227314 /nfs/dbraw/zinc/22/73/14/1166227314.db2.gz VLIVCRKCAJPVRO-RRFJBIMHSA-N 2 1 236.403 2.498 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CC[C@@](C)(CF)C2)CC1 ZINC001208593560 969150357 /nfs/dbraw/zinc/15/03/57/969150357.db2.gz WMQUFQFESMRITI-AWEZNQCLSA-N 2 1 242.382 2.400 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2C)CC1 ZINC001208594209 969152889 /nfs/dbraw/zinc/15/28/89/969152889.db2.gz LNOFXUJPXOTUAJ-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP CC(C)[NH+](C[C@@H]1CCC[N@H+](C)C1)C(C)C ZINC001208605144 969156524 /nfs/dbraw/zinc/15/65/24/969156524.db2.gz ZSYPTOHQHMKTTO-CYBMUJFWSA-N 2 1 212.381 2.447 20 0 BEADMP CC(C)[NH+](C[C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC001208605144 969156525 /nfs/dbraw/zinc/15/65/25/969156525.db2.gz ZSYPTOHQHMKTTO-CYBMUJFWSA-N 2 1 212.381 2.447 20 0 BEADMP C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CCC[NH2+]C1CC1 ZINC000399667437 1166250503 /nfs/dbraw/zinc/25/05/03/1166250503.db2.gz MRNMZDUNXGKPEF-GRYCIOLGSA-N 2 1 210.365 2.105 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@H](F)CC2)C1 ZINC001208608847 969160859 /nfs/dbraw/zinc/16/08/59/969160859.db2.gz XCVFBYCEANEECL-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@H](F)CC2)C1 ZINC001208608847 969160869 /nfs/dbraw/zinc/16/08/69/969160869.db2.gz XCVFBYCEANEECL-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@H](F)CC2)C1 ZINC001208608847 969160887 /nfs/dbraw/zinc/16/08/87/969160887.db2.gz XCVFBYCEANEECL-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H](C(F)F)C2)C1 ZINC001208612794 969173811 /nfs/dbraw/zinc/17/38/11/969173811.db2.gz NZDJGQOJYFIZRE-NWDGAFQWSA-N 2 1 246.345 2.305 20 0 BEADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H](C(F)F)C2)C1 ZINC001208612794 969173817 /nfs/dbraw/zinc/17/38/17/969173817.db2.gz NZDJGQOJYFIZRE-NWDGAFQWSA-N 2 1 246.345 2.305 20 0 BEADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@H](C(F)F)C2)C1 ZINC001208612794 969173823 /nfs/dbraw/zinc/17/38/23/969173823.db2.gz NZDJGQOJYFIZRE-NWDGAFQWSA-N 2 1 246.345 2.305 20 0 BEADMP CCc1ccccc1C[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC000227676141 1166263849 /nfs/dbraw/zinc/26/38/49/1166263849.db2.gz UIZJPOXUCRNNSO-IUODEOHRSA-N 2 1 232.371 2.418 20 0 BEADMP CCc1ccccc1C[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC000227676141 1166263854 /nfs/dbraw/zinc/26/38/54/1166263854.db2.gz UIZJPOXUCRNNSO-IUODEOHRSA-N 2 1 232.371 2.418 20 0 BEADMP CC[C@@H]1C[NH2+][C@@H](CC)CN1c1cc(C)[nH+]c(C)n1 ZINC000086466404 1166278120 /nfs/dbraw/zinc/27/81/20/1166278120.db2.gz PNXKHVHSLZYFPS-QWHCGFSZSA-N 2 1 248.374 2.060 20 0 BEADMP C[C@H]1C[C@@H]([N@@H+](C)CCC[NH3+])CC(C)(C)C1 ZINC000227741933 1166307309 /nfs/dbraw/zinc/30/73/09/1166307309.db2.gz JKIWMZIRWASWGS-NWDGAFQWSA-N 2 1 212.381 2.482 20 0 BEADMP CC[C@@H](C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078820 969399749 /nfs/dbraw/zinc/39/97/49/969399749.db2.gz HNSQLEUDVURXFO-LPWJVIDDSA-N 2 1 210.365 2.247 20 0 BEADMP CC(C)[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169080945 969403544 /nfs/dbraw/zinc/40/35/44/969403544.db2.gz NYAKOTKWVZUILG-LPWJVIDDSA-N 2 1 210.365 2.246 20 0 BEADMP CCN1CCC([N@H+]2CCCC[C@H](F)C2)CC1 ZINC001169247079 969532901 /nfs/dbraw/zinc/53/29/01/969532901.db2.gz YPDNTSNQXZNMSY-LBPRGKRZSA-N 2 1 228.355 2.295 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC001169241505 969527862 /nfs/dbraw/zinc/52/78/62/969527862.db2.gz MTNNGQWCKIMBQH-MBNYWOFBSA-N 2 1 222.376 2.249 20 0 BEADMP Cc1c[nH+]c(CC[NH3+])n1C1CCC(F)(F)CC1 ZINC001254207487 969540284 /nfs/dbraw/zinc/54/02/84/969540284.db2.gz DDMNWXMLTCDATI-UHFFFAOYSA-N 2 1 243.301 2.443 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCCCC[C@H]2C)CC[NH2+]1 ZINC000252952868 1166448976 /nfs/dbraw/zinc/44/89/76/1166448976.db2.gz PWCBBFFZNBJJBI-UPJWGTAASA-N 2 1 210.365 2.391 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+]C2(CC3CC3)CC2)CC1 ZINC001254511964 969681679 /nfs/dbraw/zinc/68/16/79/969681679.db2.gz HNSNJVONZXPFMW-ZDUSSCGKSA-N 2 1 222.376 2.393 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2CCCCCC2)CC1 ZINC001254516020 969687674 /nfs/dbraw/zinc/68/76/74/969687674.db2.gz IPWLFGAPRFRCQZ-CYBMUJFWSA-N 2 1 210.365 2.347 20 0 BEADMP C[C@@H]1CC[N@@H+]([C@H]2CCC[NH+](C)CC2)C[C@H]1F ZINC001254516494 969685921 /nfs/dbraw/zinc/68/59/21/969685921.db2.gz NEBYONGCHIRDOX-FRRDWIJNSA-N 2 1 228.355 2.151 20 0 BEADMP C[C@@H]1CC[N@H+]([C@H]2CCC[NH+](C)CC2)C[C@H]1F ZINC001254516494 969685931 /nfs/dbraw/zinc/68/59/31/969685931.db2.gz NEBYONGCHIRDOX-FRRDWIJNSA-N 2 1 228.355 2.151 20 0 BEADMP C[C@@H]1CC[NH+]([C@H]2CCC[N@H+](C)CC2)C[C@H]1F ZINC001254516494 969685937 /nfs/dbraw/zinc/68/59/37/969685937.db2.gz NEBYONGCHIRDOX-FRRDWIJNSA-N 2 1 228.355 2.151 20 0 BEADMP C[C@@H]1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)C[C@H]1F ZINC001254516494 969685953 /nfs/dbraw/zinc/68/59/53/969685953.db2.gz NEBYONGCHIRDOX-FRRDWIJNSA-N 2 1 228.355 2.151 20 0 BEADMP C[N@@H+](CCC[NH+]1CCCC1)C1CCSCC1 ZINC001255093280 969929385 /nfs/dbraw/zinc/92/93/85/969929385.db2.gz SERIVOUHSIQJJL-UHFFFAOYSA-N 2 1 242.432 2.300 20 0 BEADMP C(=C\C1CC1)\C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000378861346 1166564552 /nfs/dbraw/zinc/56/45/52/1166564552.db2.gz QVVGXEKHXSEPPN-PPUMEHJOSA-N 2 1 220.360 2.169 20 0 BEADMP C[N@H+](C1CC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001255295555 970058941 /nfs/dbraw/zinc/05/89/41/970058941.db2.gz ZLBZIIGGDHPINE-CYBMUJFWSA-N 2 1 240.416 2.051 20 0 BEADMP C[N@@H+](C1CC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001255295555 970058946 /nfs/dbraw/zinc/05/89/46/970058946.db2.gz ZLBZIIGGDHPINE-CYBMUJFWSA-N 2 1 240.416 2.051 20 0 BEADMP Cc1cnc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)s1 ZINC000394734607 1166591182 /nfs/dbraw/zinc/59/11/82/1166591182.db2.gz UVMJGUXVNFQKBZ-NSHDSACASA-N 2 1 239.388 2.012 20 0 BEADMP Cc1cnc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)s1 ZINC000394734607 1166591187 /nfs/dbraw/zinc/59/11/87/1166591187.db2.gz UVMJGUXVNFQKBZ-NSHDSACASA-N 2 1 239.388 2.012 20 0 BEADMP CCCC[C@@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001255324868 970102250 /nfs/dbraw/zinc/10/22/50/970102250.db2.gz GXOOZGXZFKRSKI-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP CCCC[C@@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001255324868 970102255 /nfs/dbraw/zinc/10/22/55/970102255.db2.gz GXOOZGXZFKRSKI-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP CCCC[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001255324868 970102267 /nfs/dbraw/zinc/10/22/67/970102267.db2.gz GXOOZGXZFKRSKI-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP Cc1c[nH+]c(N2C[C@H](C[NH3+])CC[C@@H]2C)c(C)c1 ZINC000394829005 1166596778 /nfs/dbraw/zinc/59/67/78/1166596778.db2.gz YTQHRBUQRBZYMT-STQMWFEESA-N 2 1 233.359 2.262 20 0 BEADMP Cc1c[nH+]ccc1N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000226992677 1166604046 /nfs/dbraw/zinc/60/40/46/1166604046.db2.gz AVFQHOVGCABVBO-KGLIPLIRSA-N 2 1 231.343 2.429 20 0 BEADMP CCCC[C@@H](C)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000394604438 1166605321 /nfs/dbraw/zinc/60/53/21/1166605321.db2.gz FMWRNVIIJOXCJQ-OLZOCXBDSA-N 2 1 212.381 2.497 20 0 BEADMP COc1ccsc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000393807671 1166694642 /nfs/dbraw/zinc/69/46/42/1166694642.db2.gz QCFSOJGKVUUAEL-JTQLQIEISA-N 2 1 242.388 2.187 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@H](COC)C1 ZINC001255957074 970592238 /nfs/dbraw/zinc/59/22/38/970592238.db2.gz OQVBVLZDVBZQJB-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@H](C)C1 ZINC001255956749 970594879 /nfs/dbraw/zinc/59/48/79/970594879.db2.gz MCXFSMOPAAOKLB-CHWSQXEVSA-N 2 1 212.381 2.449 20 0 BEADMP C[C@H]1CC[C@H]([N@H+]2CCC3(CCCC3)C2)C[NH2+]1 ZINC000304428694 1166917352 /nfs/dbraw/zinc/91/73/52/1166917352.db2.gz SDZDPUKCZQAGQD-STQMWFEESA-N 2 1 222.376 2.393 20 0 BEADMP C[N@H+](CC1CC(F)(F)C1)C1CC[NH+](C)CC1 ZINC001256208759 970709402 /nfs/dbraw/zinc/70/94/02/970709402.db2.gz OOZGRLDWGYGCHP-UHFFFAOYSA-N 2 1 232.318 2.058 20 0 BEADMP C[N@@H+](CC1CC(F)(F)C1)C1CC[NH+](C)CC1 ZINC001256208759 970709411 /nfs/dbraw/zinc/70/94/11/970709411.db2.gz OOZGRLDWGYGCHP-UHFFFAOYSA-N 2 1 232.318 2.058 20 0 BEADMP CC(C)(C[NH3+])[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173040149 975014554 /nfs/dbraw/zinc/01/45/54/975014554.db2.gz WSMHYROAIIASOT-UHFFFAOYSA-N 2 1 240.391 2.053 20 0 BEADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC001167949401 1167005487 /nfs/dbraw/zinc/00/54/87/1167005487.db2.gz WWQTWCMGXFKSCW-OYQDBORRSA-N 2 1 234.387 2.059 20 0 BEADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC001167949401 1167005488 /nfs/dbraw/zinc/00/54/88/1167005488.db2.gz WWQTWCMGXFKSCW-OYQDBORRSA-N 2 1 234.387 2.059 20 0 BEADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC001167949401 1167005493 /nfs/dbraw/zinc/00/54/93/1167005493.db2.gz WWQTWCMGXFKSCW-OYQDBORRSA-N 2 1 234.387 2.059 20 0 BEADMP CS[C@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000382903057 1167112285 /nfs/dbraw/zinc/11/22/85/1167112285.db2.gz CGWQYBXQACLESZ-LBPRGKRZSA-N 2 1 230.421 2.333 20 0 BEADMP C[NH2+]CC[C@H]1CCCC[N@H+]1CC1CC(F)(F)C1 ZINC000383126542 1167114059 /nfs/dbraw/zinc/11/40/59/1167114059.db2.gz HLKUDBLIBDMXMJ-GFCCVEGCSA-N 2 1 246.345 2.496 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@H](C[NH3+])C2)C1 ZINC000308800138 1167200155 /nfs/dbraw/zinc/20/01/55/1167200155.db2.gz DJVGPPMTVMUBFL-JHJVBQTASA-N 2 1 210.365 2.236 20 0 BEADMP CC(C)C[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000308832365 1167203906 /nfs/dbraw/zinc/20/39/06/1167203906.db2.gz UTLLHFQVUMCFIG-YVECIDJPSA-N 2 1 212.381 2.397 20 0 BEADMP CC[C@H](C)C[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC000309172990 1167260978 /nfs/dbraw/zinc/26/09/78/1167260978.db2.gz LTPKBFFOBJVNOX-RWMBFGLXSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1ccoc1 ZINC000309507032 1167325076 /nfs/dbraw/zinc/32/50/76/1167325076.db2.gz WFFAGFFSSNBCIS-AAEUAGOBSA-N 2 1 222.332 2.415 20 0 BEADMP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccoc1 ZINC000309507032 1167325079 /nfs/dbraw/zinc/32/50/79/1167325079.db2.gz WFFAGFFSSNBCIS-AAEUAGOBSA-N 2 1 222.332 2.415 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(C)c(F)c1 ZINC000385114985 1167385285 /nfs/dbraw/zinc/38/52/85/1167385285.db2.gz AOSPPSBVUGUJSB-UHFFFAOYSA-N 2 1 247.317 2.429 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCC(C)(C)SC ZINC000385289687 1167388670 /nfs/dbraw/zinc/38/86/70/1167388670.db2.gz IEARNIHUAIFTSA-LLVKDONJSA-N 2 1 230.421 2.202 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+]1CCC(C)(C)SC ZINC000385289687 1167388679 /nfs/dbraw/zinc/38/86/79/1167388679.db2.gz IEARNIHUAIFTSA-LLVKDONJSA-N 2 1 230.421 2.202 20 0 BEADMP CCC[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429015169 976981498 /nfs/dbraw/zinc/98/14/98/976981498.db2.gz XGDYMJUCCIUBIY-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP CCC[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429015169 976981506 /nfs/dbraw/zinc/98/15/06/976981506.db2.gz XGDYMJUCCIUBIY-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+]1[C@H](C)CCC(C)C ZINC000169240295 1167452723 /nfs/dbraw/zinc/45/27/23/1167452723.db2.gz NEIUOPNINPGMPK-CHWSQXEVSA-N 2 1 212.381 2.495 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC000251990290 1167468370 /nfs/dbraw/zinc/46/83/70/1167468370.db2.gz ZGUMAYXONPMNFO-YIYPIFLZSA-N 2 1 224.392 2.352 20 0 BEADMP CCC(CC)[N@@H+](CC)CC1CC[NH2+]CC1 ZINC000086701844 1167640334 /nfs/dbraw/zinc/64/03/34/1167640334.db2.gz CNAQJFBUXSAFMW-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2C=CCC2)c2ccccc21 ZINC000698268336 1167643846 /nfs/dbraw/zinc/64/38/46/1167643846.db2.gz WNMUSLHFJSKRSR-ZLKJLUDKSA-N 2 1 214.312 2.439 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)C[C@H]1C ZINC000310397860 1167682865 /nfs/dbraw/zinc/68/28/65/1167682865.db2.gz MIFPGUTWJHAJDJ-MRLBHPIUSA-N 2 1 236.403 2.352 20 0 BEADMP C[N@@H+](CCNc1cc[nH+]cc1)Cc1ccccc1 ZINC000386758987 1167728296 /nfs/dbraw/zinc/72/82/96/1167728296.db2.gz IAEQFZCOOPQVNO-UHFFFAOYSA-N 2 1 241.338 2.047 20 0 BEADMP CC(C)([NH3+])C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000250365917 1167773133 /nfs/dbraw/zinc/77/31/33/1167773133.db2.gz OEBSIVPMNKEIDA-RYUDHWBXSA-N 2 1 210.365 2.236 20 0 BEADMP CC(C)([NH3+])C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000250365917 1167773139 /nfs/dbraw/zinc/77/31/39/1167773139.db2.gz OEBSIVPMNKEIDA-RYUDHWBXSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)C[C@@H](C)C1 ZINC000252216063 1167773579 /nfs/dbraw/zinc/77/35/79/1167773579.db2.gz ZFMNGLIWODHPBE-RFQIPJPRSA-N 2 1 224.392 2.352 20 0 BEADMP COC(C)(C)CC[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235127585 978982638 /nfs/dbraw/zinc/98/26/38/978982638.db2.gz ZOVMVHBYDQGRPZ-CQSZACIVSA-N 2 1 240.391 2.020 20 0 BEADMP COC(C)(C)CC[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235127585 978982643 /nfs/dbraw/zinc/98/26/43/978982643.db2.gz ZOVMVHBYDQGRPZ-CQSZACIVSA-N 2 1 240.391 2.020 20 0 BEADMP CCC(CC)C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235710876 979129511 /nfs/dbraw/zinc/12/95/11/979129511.db2.gz JGQKLDDOLHFYDZ-UHFFFAOYSA-N 2 1 210.365 2.108 20 0 BEADMP CC[N@@H+](CCCC[NH3+])Cc1ccccc1F ZINC001235960753 979224695 /nfs/dbraw/zinc/22/46/95/979224695.db2.gz NKKMIJGDNYPXFU-UHFFFAOYSA-N 2 1 224.323 2.387 20 0 BEADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCC[C@H]1C(C)C ZINC000251435569 1168238127 /nfs/dbraw/zinc/23/81/27/1168238127.db2.gz UBQHAICHLBADPT-STQMWFEESA-N 2 1 212.381 2.338 20 0 BEADMP [NH3+]C[C@H]1CCC[N@H+]([C@H]2CCc3c2cccc3F)C1 ZINC000149341504 1168320301 /nfs/dbraw/zinc/32/03/01/1168320301.db2.gz QUIIGZGLMSQFLK-ABAIWWIYSA-N 2 1 248.345 2.484 20 0 BEADMP CC[C@@H](C)C[C@@H](CC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282118 1168324036 /nfs/dbraw/zinc/32/40/36/1168324036.db2.gz JTUSFFHWBKBKNJ-YIYPIFLZSA-N 2 1 224.392 2.352 20 0 BEADMP CCC1CCC([N@@H+](C)C[C@H](C)C[NH3+])CC1 ZINC000042515302 1168394027 /nfs/dbraw/zinc/39/40/27/1168394027.db2.gz HQWJCBBOXMQRAQ-PNESKVBLSA-N 2 1 212.381 2.482 20 0 BEADMP CCCC(CCC)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC000037484549 1168418736 /nfs/dbraw/zinc/41/87/36/1168418736.db2.gz QFBWTJWQNAFPPM-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CCC1CCC([NH2+]C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000037484624 1168418937 /nfs/dbraw/zinc/41/89/37/1168418937.db2.gz GVVAQYJZJYDSAJ-ROKHWSDSSA-N 2 1 224.392 2.497 20 0 BEADMP CCC1CCC([NH2+]C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000037484623 1168418178 /nfs/dbraw/zinc/41/81/78/1168418178.db2.gz GVVAQYJZJYDSAJ-MOKVOYLWSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1c2sccc2CC[N@@H+]1CCC[NH3+] ZINC000712269302 1168423505 /nfs/dbraw/zinc/42/35/05/1168423505.db2.gz ZTPLQBFOYCCVEQ-VIFPVBQESA-N 2 1 210.346 2.016 20 0 BEADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccs2)CC1 ZINC001205545270 980945073 /nfs/dbraw/zinc/94/50/73/980945073.db2.gz BOJIFIOAUJKAGB-LBPRGKRZSA-N 2 1 242.363 2.401 20 0 BEADMP Cc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(C)o1 ZINC000257693960 1168604918 /nfs/dbraw/zinc/60/49/18/1168604918.db2.gz OGYBLEWISJUQBE-OAHLLOKOSA-N 2 1 248.370 2.472 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(C)o1 ZINC000257693960 1168604923 /nfs/dbraw/zinc/60/49/23/1168604923.db2.gz OGYBLEWISJUQBE-OAHLLOKOSA-N 2 1 248.370 2.472 20 0 BEADMP C1C[N@@H+]([C@H]2CCCSC2)[C@@]2(C1)CCC[NH2+]C2 ZINC000257696481 1168608253 /nfs/dbraw/zinc/60/82/53/1168608253.db2.gz KHNUJBKVWPHHAZ-QWHCGFSZSA-N 2 1 240.416 2.100 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC(C)(C)C1 ZINC001246648336 1168656870 /nfs/dbraw/zinc/65/68/70/1168656870.db2.gz WPNCAVJSHJVQDL-CZXHOFHRSA-N 2 1 222.376 2.234 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC(C)(C)C1 ZINC001246648336 1168656881 /nfs/dbraw/zinc/65/68/81/1168656881.db2.gz WPNCAVJSHJVQDL-CZXHOFHRSA-N 2 1 222.376 2.234 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)CC(C)(C)C1 ZINC001246651498 1168657234 /nfs/dbraw/zinc/65/72/34/1168657234.db2.gz LTCHPNJDYNGZNY-ZOBORPQBSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccccc2)C1 ZINC001205803532 982553749 /nfs/dbraw/zinc/55/37/49/982553749.db2.gz HNOGRMZPJKRJBW-OCCSQVGLSA-N 2 1 218.344 2.246 20 0 BEADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccc2)C1 ZINC001205803532 982553759 /nfs/dbraw/zinc/55/37/59/982553759.db2.gz HNOGRMZPJKRJBW-OCCSQVGLSA-N 2 1 218.344 2.246 20 0 BEADMP CCC[C@H](C)C[N@@H+]1CCc2nccn2CC1 ZINC001201552974 983311440 /nfs/dbraw/zinc/31/14/40/983311440.db2.gz XDGQGWIFDNWELR-LBPRGKRZSA-N 2 1 221.348 2.177 20 0 BEADMP CCC[C@H](C)C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001201552974 983311449 /nfs/dbraw/zinc/31/14/49/983311449.db2.gz XDGQGWIFDNWELR-LBPRGKRZSA-N 2 1 221.348 2.177 20 0 BEADMP CCC[C@H](C)C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001201552974 983311451 /nfs/dbraw/zinc/31/14/51/983311451.db2.gz XDGQGWIFDNWELR-LBPRGKRZSA-N 2 1 221.348 2.177 20 0 BEADMP CC[C@H](C)C[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001201517247 983315226 /nfs/dbraw/zinc/31/52/26/983315226.db2.gz OSHNZFQZUIXVBW-LBPRGKRZSA-N 2 1 212.381 2.449 20 0 BEADMP CCCC[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001201717229 983421608 /nfs/dbraw/zinc/42/16/08/983421608.db2.gz GYQDTRMOCAXDON-UHFFFAOYSA-N 2 1 210.365 2.345 20 0 BEADMP CCCCCC[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201755902 983457876 /nfs/dbraw/zinc/45/78/76/983457876.db2.gz BGLZWBPRNJTNFC-ZIAGYGMSSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCC1CCC1 ZINC000689072002 1169169764 /nfs/dbraw/zinc/16/97/64/1169169764.db2.gz WNUFUCIVSILLBJ-YPMHNXCESA-N 2 1 210.365 2.297 20 0 BEADMP C1CCC2(C1)CC[NH+]([C@H]1CCC[NH2+]C1)CC2 ZINC000062954151 1169182676 /nfs/dbraw/zinc/18/26/76/1169182676.db2.gz IGPGQIKDJXDZCU-ZDUSSCGKSA-N 2 1 222.376 2.395 20 0 BEADMP CCOCC[C@@H](C)[N@@H+](CC)CCn1ccnc1 ZINC001172426902 974702775 /nfs/dbraw/zinc/70/27/75/974702775.db2.gz JKIYZZOWGLUDTL-CYBMUJFWSA-N 2 1 239.363 2.020 20 0 BEADMP Cc1ccnc(CCC[NH2+]C2CC[NH+](C)CC2)c1 ZINC001256196695 1169280773 /nfs/dbraw/zinc/28/07/73/1169280773.db2.gz VPYXCRCZZKQSMG-UHFFFAOYSA-N 2 1 247.386 2.006 20 0 BEADMP C[C@H](CC(F)(F)F)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246596743 973015049 /nfs/dbraw/zinc/01/50/49/973015049.db2.gz VJLKEMZPRRWOHH-NXEZZACHSA-N 2 1 238.297 2.388 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@H](C)Cc1ccccn1 ZINC001256397552 970806359 /nfs/dbraw/zinc/80/63/59/970806359.db2.gz SFNZJISSRGEHLY-CYBMUJFWSA-N 2 1 235.375 2.073 20 0 BEADMP C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C2(CC2)C1 ZINC001256629999 970893181 /nfs/dbraw/zinc/89/31/81/970893181.db2.gz ZUAXHPHTVAAKBY-HABKJSAYSA-N 2 1 234.387 2.486 20 0 BEADMP C[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C2(CC2)C1 ZINC001256629999 970893185 /nfs/dbraw/zinc/89/31/85/970893185.db2.gz ZUAXHPHTVAAKBY-HABKJSAYSA-N 2 1 234.387 2.486 20 0 BEADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2(CC2)C1 ZINC001256629999 970893191 /nfs/dbraw/zinc/89/31/91/970893191.db2.gz ZUAXHPHTVAAKBY-HABKJSAYSA-N 2 1 234.387 2.486 20 0 BEADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2(CC2)C1 ZINC001256629999 970893199 /nfs/dbraw/zinc/89/31/99/970893199.db2.gz ZUAXHPHTVAAKBY-HABKJSAYSA-N 2 1 234.387 2.486 20 0 BEADMP C[C@@H](Cc1ccncc1)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001256722949 970942979 /nfs/dbraw/zinc/94/29/79/970942979.db2.gz LZGOOLKVGVOWEH-ZFWWWQNUSA-N 2 1 247.386 2.087 20 0 BEADMP C[C@H](Cc1ccncc1)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001256722948 970945266 /nfs/dbraw/zinc/94/52/66/970945266.db2.gz LZGOOLKVGVOWEH-UKRRQHHQSA-N 2 1 247.386 2.087 20 0 BEADMP C[C@H](CC1CC1)[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247014149 973794633 /nfs/dbraw/zinc/79/46/33/973794633.db2.gz JECWANFUBCDOPW-KWCYVHTRSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@H](CC1CC1)[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247014149 973794645 /nfs/dbraw/zinc/79/46/45/973794645.db2.gz JECWANFUBCDOPW-KWCYVHTRSA-N 2 1 222.376 2.249 20 0 BEADMP CC(C)[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256855351 970999158 /nfs/dbraw/zinc/99/91/58/970999158.db2.gz JQTDYVDDGSMFGF-UHFFFAOYSA-N 2 1 233.359 2.391 20 0 BEADMP [NH3+]CC[C@H]1CCC[N@@H+](CC=C(Cl)Cl)C1 ZINC000403643119 971001533 /nfs/dbraw/zinc/00/15/33/971001533.db2.gz PSUGNNLAYXKMQB-SECBINFHSA-N 2 1 237.174 2.366 20 0 BEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC=C(Cl)Cl)C1 ZINC000403643122 971002580 /nfs/dbraw/zinc/00/25/80/971002580.db2.gz PSUGNNLAYXKMQB-VIFPVBQESA-N 2 1 237.174 2.366 20 0 BEADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257073825 971088901 /nfs/dbraw/zinc/08/89/01/971088901.db2.gz WIZZKVSGXAHAQB-CLLJXQQHSA-N 2 1 228.380 2.002 20 0 BEADMP CC(C)N1CCC([N@H+]2CCC3(CC3)C2)CC1 ZINC001257215820 971132268 /nfs/dbraw/zinc/13/22/68/971132268.db2.gz ZMUHOEKUXHHHFR-UHFFFAOYSA-N 2 1 222.376 2.345 20 0 BEADMP CC(C)[NH+]1CCC([N@@H+]2CCC3(CC3)C2)CC1 ZINC001257215820 971132272 /nfs/dbraw/zinc/13/22/72/971132272.db2.gz ZMUHOEKUXHHHFR-UHFFFAOYSA-N 2 1 222.376 2.345 20 0 BEADMP CC(C)[NH+]1CCC([N@H+]2CCC3(CC3)C2)CC1 ZINC001257215820 971132277 /nfs/dbraw/zinc/13/22/77/971132277.db2.gz ZMUHOEKUXHHHFR-UHFFFAOYSA-N 2 1 222.376 2.345 20 0 BEADMP CCC[C@@H](CC)n1c(C)c[nH+]c1CC[NH3+] ZINC001257244370 971138046 /nfs/dbraw/zinc/13/80/46/971138046.db2.gz IAQUTPIEPPXIIT-LLVKDONJSA-N 2 1 209.337 2.444 20 0 BEADMP CC(C)O[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000404519257 971170601 /nfs/dbraw/zinc/17/06/01/971170601.db2.gz OKOGANPOJZYKQG-CQSZACIVSA-N 2 1 242.407 2.395 20 0 BEADMP CCC(CC)[N@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001257303965 971190951 /nfs/dbraw/zinc/19/09/51/971190951.db2.gz WAPTUQXMKHOENY-DGCLKSJQSA-N 2 1 210.365 2.201 20 0 BEADMP CCC[C@@H](C)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001257324903 971226638 /nfs/dbraw/zinc/22/66/38/971226638.db2.gz WUEUTYRHXVAGGU-JHJVBQTASA-N 2 1 210.365 2.059 20 0 BEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccccc2F)C12CCC2 ZINC000405297583 971231446 /nfs/dbraw/zinc/23/14/46/971231446.db2.gz GXUZCMZUSFFWDG-STQMWFEESA-N 2 1 234.318 2.185 20 0 BEADMP C[C@@H](C[N@@H+]1CC[C@@](C)([NH3+])C1)c1ccccc1 ZINC000405734527 971301741 /nfs/dbraw/zinc/30/17/41/971301741.db2.gz ACHMGDPWSKJXAF-GXTWGEPZSA-N 2 1 218.344 2.213 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@@](C)([NH3+])C1)c1ccccc1 ZINC000405734527 971301748 /nfs/dbraw/zinc/30/17/48/971301748.db2.gz ACHMGDPWSKJXAF-GXTWGEPZSA-N 2 1 218.344 2.213 20 0 BEADMP C[C@]1([NH3+])CC[N@H+](Cc2ccccc2C2CC2)C1 ZINC000405853768 971315208 /nfs/dbraw/zinc/31/52/08/971315208.db2.gz ZIHSMWVKBZROFT-HNNXBMFYSA-N 2 1 230.355 2.487 20 0 BEADMP C[C@]1([NH3+])CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000405853768 971315213 /nfs/dbraw/zinc/31/52/13/971315213.db2.gz ZIHSMWVKBZROFT-HNNXBMFYSA-N 2 1 230.355 2.487 20 0 BEADMP CC(C)(CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000405960806 971325911 /nfs/dbraw/zinc/32/59/11/971325911.db2.gz AMVXVWISZOZTSM-YPMHNXCESA-N 2 1 222.376 2.106 20 0 BEADMP CC(C)(CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000405960806 971325917 /nfs/dbraw/zinc/32/59/17/971325917.db2.gz AMVXVWISZOZTSM-YPMHNXCESA-N 2 1 222.376 2.106 20 0 BEADMP CC(C)(CC[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1)C1CC1 ZINC000406049745 971349332 /nfs/dbraw/zinc/34/93/32/971349332.db2.gz GLDQQWLNOQGPCK-GFCCVEGCSA-N 2 1 224.392 2.482 20 0 BEADMP CC(C)(CC[N@H+]1C[C@@H]([NH3+])C(C)(C)C1)C1CC1 ZINC000406049745 971349335 /nfs/dbraw/zinc/34/93/35/971349335.db2.gz GLDQQWLNOQGPCK-GFCCVEGCSA-N 2 1 224.392 2.482 20 0 BEADMP CC(C)[N@@H+](CCC[NH3+])C1CCC2(COC2)CC1 ZINC001257895947 971529016 /nfs/dbraw/zinc/52/90/16/971529016.db2.gz AVTJWENRHYDTGT-UHFFFAOYSA-N 2 1 240.391 2.005 20 0 BEADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@H](C)C2)CC1 ZINC001258013815 971549034 /nfs/dbraw/zinc/54/90/34/971549034.db2.gz XQLNMGDSLGYVQQ-ZDUSSCGKSA-N 2 1 224.392 2.449 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170714786 971628815 /nfs/dbraw/zinc/62/88/15/971628815.db2.gz ALBXIKFEYCXRIR-FQUUOJAGSA-N 2 1 236.403 2.352 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170714788 971628965 /nfs/dbraw/zinc/62/89/65/971628965.db2.gz ALBXIKFEYCXRIR-XDQVBPFNSA-N 2 1 236.403 2.352 20 0 BEADMP CC/C=C\CC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206153971 974314753 /nfs/dbraw/zinc/31/47/53/974314753.db2.gz FUWUTUIRSNEAOB-BKGLOODYSA-N 2 1 214.328 2.104 20 0 BEADMP CC/C=C\CC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206153971 974314765 /nfs/dbraw/zinc/31/47/65/974314765.db2.gz FUWUTUIRSNEAOB-BKGLOODYSA-N 2 1 214.328 2.104 20 0 BEADMP CCC[C@H](C)C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156243 974335577 /nfs/dbraw/zinc/33/55/77/974335577.db2.gz PGFZUGGEWANAQA-SRVKXCTJSA-N 2 1 216.344 2.184 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156243 974335581 /nfs/dbraw/zinc/33/55/81/974335581.db2.gz PGFZUGGEWANAQA-SRVKXCTJSA-N 2 1 216.344 2.184 20 0 BEADMP CC1(C)[C@@H]2C[C@H](n3cc[nH+]c3CCC[NH3+])C[C@@H]21 ZINC001170739131 971689720 /nfs/dbraw/zinc/68/97/20/971689720.db2.gz OQYXCBFKOFSRTH-ZSBIGDGJSA-N 2 1 233.359 2.382 20 0 BEADMP CC[N@H+]1CCC[C@H](Oc2cccc(C[NH3+])c2)C1 ZINC001218348456 971721498 /nfs/dbraw/zinc/72/14/98/971721498.db2.gz QQALXIFQXCEMEM-AWEZNQCLSA-N 2 1 234.343 2.008 20 0 BEADMP CC1(C)[C@H]([NH2+]CC=C(Cl)Cl)C[C@@H]1[NH3+] ZINC000407161994 971773655 /nfs/dbraw/zinc/77/36/55/971773655.db2.gz YJOSYNVKGFLYAY-NKWVEPMBSA-N 2 1 223.147 2.021 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001172326022 974530429 /nfs/dbraw/zinc/53/04/29/974530429.db2.gz ABXKNBXOUHCQKK-AGIUHOORSA-N 2 1 230.396 2.107 20 0 BEADMP C[C@@H]([NH3+])CCNc1ccc([C@@H]2CC[N@@H+](C)C2)cc1 ZINC001170894543 972070177 /nfs/dbraw/zinc/07/01/77/972070177.db2.gz KCIVUQQEYKABJO-TZMCWYRMSA-N 2 1 247.386 2.255 20 0 BEADMP Cc1cc(NCC[C@@H](C)[NH3+])[nH+]c2cc[nH]c21 ZINC001170894529 972070525 /nfs/dbraw/zinc/07/05/25/972070525.db2.gz JQQJGTZGAMXBDJ-SECBINFHSA-N 2 1 218.304 2.021 20 0 BEADMP CC(C)(C[NH3+])[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170950793 972138274 /nfs/dbraw/zinc/13/82/74/972138274.db2.gz UGGGEEHQKQIRDV-NSHDSACASA-N 2 1 236.334 2.010 20 0 BEADMP C[C@H]1CC[C@@H](C[NH2+]C2Cc3ccccc3C2)[NH2+]C1 ZINC001246105065 972170021 /nfs/dbraw/zinc/17/00/21/972170021.db2.gz AOFLHXYKOYNXOX-WFASDCNBSA-N 2 1 244.382 2.132 20 0 BEADMP C[C@@H]1CC[C@@H](C[NH2+]C2Cc3ccccc3C2)[NH2+]C1 ZINC001246105029 972170518 /nfs/dbraw/zinc/17/05/18/972170518.db2.gz AOFLHXYKOYNXOX-DOMZBBRYSA-N 2 1 244.382 2.132 20 0 BEADMP Cc1cccc2c1CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC001246108078 972172973 /nfs/dbraw/zinc/17/29/73/972172973.db2.gz CYHUDWJPFQJPFS-LSDHHAIUSA-N 2 1 244.382 2.194 20 0 BEADMP CS[C@@H](C)CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001208154608 957033530 /nfs/dbraw/zinc/03/35/30/957033530.db2.gz MVEPZLSYFWHMFU-QWHCGFSZSA-N 2 1 242.432 2.156 20 0 BEADMP C[NH+](C)CCC[N@@H+](C)CCc1cccc(F)c1 ZINC001208195979 957075022 /nfs/dbraw/zinc/07/50/22/957075022.db2.gz KOARLTIIJSQXOE-UHFFFAOYSA-N 2 1 238.350 2.252 20 0 BEADMP Cc1cccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC001246236087 972239873 /nfs/dbraw/zinc/23/98/73/972239873.db2.gz INLWZOUOQBGMPD-ICIURTGMSA-N 2 1 245.370 2.324 20 0 BEADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC001208608034 957086822 /nfs/dbraw/zinc/08/68/22/957086822.db2.gz FFWLNUVBWLTUMV-NWDGAFQWSA-N 2 1 244.329 2.059 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC001208608034 957086794 /nfs/dbraw/zinc/08/67/94/957086794.db2.gz FFWLNUVBWLTUMV-NWDGAFQWSA-N 2 1 244.329 2.059 20 0 BEADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC001208608034 957086816 /nfs/dbraw/zinc/08/68/16/957086816.db2.gz FFWLNUVBWLTUMV-NWDGAFQWSA-N 2 1 244.329 2.059 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)(C)C2)C1 ZINC001208606393 957087958 /nfs/dbraw/zinc/08/79/58/957087958.db2.gz FSYCBTWJDMUSJX-GFCCVEGCSA-N 2 1 210.365 2.060 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC(C)(C)C2)C1 ZINC001208606393 957087970 /nfs/dbraw/zinc/08/79/70/957087970.db2.gz FSYCBTWJDMUSJX-GFCCVEGCSA-N 2 1 210.365 2.060 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC(C)(C)C2)C1 ZINC001208606393 957087974 /nfs/dbraw/zinc/08/79/74/957087974.db2.gz FSYCBTWJDMUSJX-GFCCVEGCSA-N 2 1 210.365 2.060 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(C)(C)C2)C1 ZINC001208606395 957093537 /nfs/dbraw/zinc/09/35/37/957093537.db2.gz FSYCBTWJDMUSJX-LBPRGKRZSA-N 2 1 210.365 2.060 20 0 BEADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC(C)(C)C2)C1 ZINC001208606395 957093551 /nfs/dbraw/zinc/09/35/51/957093551.db2.gz FSYCBTWJDMUSJX-LBPRGKRZSA-N 2 1 210.365 2.060 20 0 BEADMP C[NH+]1CCC[C@H](C[N@H+]2CCC(C)(C)C2)C1 ZINC001208606395 957093563 /nfs/dbraw/zinc/09/35/63/957093563.db2.gz FSYCBTWJDMUSJX-LBPRGKRZSA-N 2 1 210.365 2.060 20 0 BEADMP C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC001208613174 957097008 /nfs/dbraw/zinc/09/70/08/957097008.db2.gz QSGCKUDEIICCIZ-MGPQQGTHSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC001208613174 957097017 /nfs/dbraw/zinc/09/70/17/957097017.db2.gz QSGCKUDEIICCIZ-MGPQQGTHSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)[C@H](C)C1 ZINC001208613174 957097022 /nfs/dbraw/zinc/09/70/22/957097022.db2.gz QSGCKUDEIICCIZ-MGPQQGTHSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC001208613174 957097036 /nfs/dbraw/zinc/09/70/36/957097036.db2.gz QSGCKUDEIICCIZ-MGPQQGTHSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@H]1C[N@H+](C[C@@H]2CCC[NH+](C)C2)C2(CC2)C1 ZINC001208615000 957104061 /nfs/dbraw/zinc/10/40/61/957104061.db2.gz GTUAGNCNUIDOIS-CHWSQXEVSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H]1C[N@@H+](C[C@@H]2CCC[NH+](C)C2)C2(CC2)C1 ZINC001208615000 957104093 /nfs/dbraw/zinc/10/40/93/957104093.db2.gz GTUAGNCNUIDOIS-CHWSQXEVSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H]1C[NH+](C[C@@H]2CCC[N@H+](C)C2)C2(CC2)C1 ZINC001208615000 957104100 /nfs/dbraw/zinc/10/41/00/957104100.db2.gz GTUAGNCNUIDOIS-CHWSQXEVSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H]1C[NH+](C[C@@H]2CCC[N@@H+](C)C2)C2(CC2)C1 ZINC001208615000 957104110 /nfs/dbraw/zinc/10/41/10/957104110.db2.gz GTUAGNCNUIDOIS-CHWSQXEVSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]CCCCc2ccccn2)C[NH2+]1 ZINC001246241039 972243338 /nfs/dbraw/zinc/24/33/38/972243338.db2.gz VFJIUMHJNVGKQC-ZFWWWQNUSA-N 2 1 247.386 2.134 20 0 BEADMP C[N@@H+]1C[C@@H]2C[NH+](CC3(C)CCCCC3)C[C@@H]2C1 ZINC001208902026 957232810 /nfs/dbraw/zinc/23/28/10/957232810.db2.gz FUDJLONZTWVVMK-OKILXGFUSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](CC3(C)CCCCC3)C[C@@H]2C1 ZINC001208902026 957232833 /nfs/dbraw/zinc/23/28/33/957232833.db2.gz FUDJLONZTWVVMK-OKILXGFUSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+](CC3(C)CCCCC3)C[C@@H]2C1 ZINC001208902026 957232855 /nfs/dbraw/zinc/23/28/55/957232855.db2.gz FUDJLONZTWVVMK-OKILXGFUSA-N 2 1 236.403 2.450 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C(C)(C)c2ccccn2)CC[NH2+]1 ZINC001246307218 972269006 /nfs/dbraw/zinc/26/90/06/972269006.db2.gz DIDCXUHXHFDHLA-NWDGAFQWSA-N 2 1 233.359 2.047 20 0 BEADMP C[C@H](Cc1ccc(O)cc1)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246345274 972299415 /nfs/dbraw/zinc/29/94/15/972299415.db2.gz DLXGVRAAMIGUIY-YRGRVCCFSA-N 2 1 248.370 2.053 20 0 BEADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246345274 972299418 /nfs/dbraw/zinc/29/94/18/972299418.db2.gz DLXGVRAAMIGUIY-YRGRVCCFSA-N 2 1 248.370 2.053 20 0 BEADMP CCCCCC[C@H](C)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246451657 972320604 /nfs/dbraw/zinc/32/06/04/972320604.db2.gz HYSGKDMBARLKIC-AWEZNQCLSA-N 3 1 243.439 2.263 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]CC2(C)CCCC2)C[NH2+]1 ZINC000398946723 958453328 /nfs/dbraw/zinc/45/33/28/958453328.db2.gz BHFLGPNYKDAJOA-NWDGAFQWSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+]2CCC3(CCC3)C2)C[NH2+]1 ZINC000399020579 958484886 /nfs/dbraw/zinc/48/48/86/958484886.db2.gz HUHWXJOADLRQGG-NEPJUHHUSA-N 2 1 208.349 2.003 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CCC3(CCC3)C2)C[NH2+]1 ZINC000399020579 958484894 /nfs/dbraw/zinc/48/48/94/958484894.db2.gz HUHWXJOADLRQGG-NEPJUHHUSA-N 2 1 208.349 2.003 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CCCOc2ccccc2)C[NH2+]1 ZINC000399220273 958568003 /nfs/dbraw/zinc/56/80/03/958568003.db2.gz KIELMKUINBDONH-ZIAGYGMSSA-N 2 1 248.370 2.186 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CCc2ccsc2)C[NH2+]1 ZINC000399260709 958587246 /nfs/dbraw/zinc/58/72/46/958587246.db2.gz PQYKQSCVJHLSIK-PWSUYJOCSA-N 2 1 224.373 2.021 20 0 BEADMP CSCC[C@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000707909430 958810516 /nfs/dbraw/zinc/81/05/16/958810516.db2.gz HXMJSQJESRDPSZ-NWDGAFQWSA-N 2 1 230.421 2.202 20 0 BEADMP CSCC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000707909428 958812321 /nfs/dbraw/zinc/81/23/21/958812321.db2.gz HXMJSQJESRDPSZ-NEPJUHHUSA-N 2 1 230.421 2.202 20 0 BEADMP CC[C@H]1CCCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000693577153 958867914 /nfs/dbraw/zinc/86/79/14/958867914.db2.gz BWMHRGIQKFVTHU-XQQFMLRXSA-N 2 1 210.365 2.378 20 0 BEADMP CC(C)(C)[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000693578101 958869143 /nfs/dbraw/zinc/86/91/43/958869143.db2.gz JBBUAUFYLDPQAJ-UTUOFQBUSA-N 2 1 210.365 2.092 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222141452 972386876 /nfs/dbraw/zinc/38/68/76/972386876.db2.gz MJDLCTPHQVJXFB-XUWVNRHRSA-N 2 1 246.398 2.274 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000690744617 959206965 /nfs/dbraw/zinc/20/69/65/959206965.db2.gz YPPMGYSAEXLXCL-GFCCVEGCSA-N 2 1 236.334 2.305 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000690744455 959208504 /nfs/dbraw/zinc/20/85/04/959208504.db2.gz XRMBANVXFHEZTF-GFCCVEGCSA-N 2 1 236.334 2.305 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222232898 972414493 /nfs/dbraw/zinc/41/44/93/972414493.db2.gz YKXBGZNFJAGNPV-QWHCGFSZSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccccn1 ZINC000405250590 959425125 /nfs/dbraw/zinc/42/51/25/959425125.db2.gz JOAJFVOOQFYWJF-UHTWSYAYSA-N 2 1 231.343 2.002 20 0 BEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cncs1 ZINC000693892815 959483927 /nfs/dbraw/zinc/48/39/27/959483927.db2.gz DQKHKBXEQZVGIR-QWRGUYRKSA-N 2 1 239.388 2.278 20 0 BEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cncs1 ZINC000693892815 959483940 /nfs/dbraw/zinc/48/39/40/959483940.db2.gz DQKHKBXEQZVGIR-QWRGUYRKSA-N 2 1 239.388 2.278 20 0 BEADMP CCC[C@@H](C)C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000308799150 959504922 /nfs/dbraw/zinc/50/49/22/959504922.db2.gz DFKZPGBYUUELOQ-CHWSQXEVSA-N 2 1 212.381 2.483 20 0 BEADMP C([C@@H]1CCC[NH2+]1)[N@@H+]1CCCC2(CCCC2)C1 ZINC001222401168 972459793 /nfs/dbraw/zinc/45/97/93/972459793.db2.gz SNJDIAGOTOOABO-ZDUSSCGKSA-N 2 1 222.376 2.395 20 0 BEADMP C([C@@H]1CCC[NH2+]1)[N@H+]1CCCC2(CCCC2)C1 ZINC001222401168 972459799 /nfs/dbraw/zinc/45/97/99/972459799.db2.gz SNJDIAGOTOOABO-ZDUSSCGKSA-N 2 1 222.376 2.395 20 0 BEADMP C[C@H]1C[N@H+](C2CCC3(CC3)CC2)C[C@H]1C[NH3+] ZINC000708829636 959859953 /nfs/dbraw/zinc/85/99/53/959859953.db2.gz FDPXNDIBZSBUEV-NWDGAFQWSA-N 2 1 222.376 2.236 20 0 BEADMP C[C@H]1C[N@H+](C2CCC(C)(C)CC2)C[C@H]1C[NH3+] ZINC000708875847 960002813 /nfs/dbraw/zinc/00/28/13/960002813.db2.gz RQOMNYCPBKGQEN-NWDGAFQWSA-N 2 1 224.392 2.482 20 0 BEADMP C[N@@H+](CCC1CC[NH+](C)CC1)Cc1cccnc1 ZINC001207479779 960356451 /nfs/dbraw/zinc/35/64/51/960356451.db2.gz NMKGDBCDBQQGRA-UHFFFAOYSA-N 2 1 247.386 2.245 20 0 BEADMP COC[C@@H]1CCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140802437 960591635 /nfs/dbraw/zinc/59/16/35/960591635.db2.gz VOYHWTDRYQZCBA-LBPRGKRZSA-N 2 1 245.326 2.174 20 0 BEADMP COC[C@@H]1CCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140802437 960591646 /nfs/dbraw/zinc/59/16/46/960591646.db2.gz VOYHWTDRYQZCBA-LBPRGKRZSA-N 2 1 245.326 2.174 20 0 BEADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)CC1CC1 ZINC001140799934 960596906 /nfs/dbraw/zinc/59/69/06/960596906.db2.gz QCEGUSUDSVQXQZ-UHFFFAOYSA-N 2 1 215.300 2.405 20 0 BEADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)CC1CC1 ZINC001140799934 960596916 /nfs/dbraw/zinc/59/69/16/960596916.db2.gz QCEGUSUDSVQXQZ-UHFFFAOYSA-N 2 1 215.300 2.405 20 0 BEADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)[C@@H]1CCCOC1 ZINC001140806488 960605045 /nfs/dbraw/zinc/60/50/45/960605045.db2.gz KIVNLWIGZNSOCF-GFCCVEGCSA-N 2 1 245.326 2.174 20 0 BEADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)[C@@H]1CCCOC1 ZINC001140806488 960605056 /nfs/dbraw/zinc/60/50/56/960605056.db2.gz KIVNLWIGZNSOCF-GFCCVEGCSA-N 2 1 245.326 2.174 20 0 BEADMP CC[N@H+](Cc1c[nH]c2cc[nH+]cc12)CC(C)(C)O ZINC001140804855 960605400 /nfs/dbraw/zinc/60/54/00/960605400.db2.gz IFUSGTHOBPNRDU-UHFFFAOYSA-N 2 1 247.342 2.156 20 0 BEADMP CC[N@@H+](Cc1c[nH]c2cc[nH+]cc12)CC(C)(C)O ZINC001140804855 960605409 /nfs/dbraw/zinc/60/54/09/960605409.db2.gz IFUSGTHOBPNRDU-UHFFFAOYSA-N 2 1 247.342 2.156 20 0 BEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccncc1 ZINC000709450318 960610309 /nfs/dbraw/zinc/61/03/09/960610309.db2.gz VUYKELDXDQXQHI-BKQLOGFTSA-N 2 1 231.343 2.015 20 0 BEADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000709476865 960618445 /nfs/dbraw/zinc/61/84/45/960618445.db2.gz GBZJKJXWHPRPIJ-SMDDNHRTSA-N 2 1 236.334 2.398 20 0 BEADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000709476865 960618455 /nfs/dbraw/zinc/61/84/55/960618455.db2.gz GBZJKJXWHPRPIJ-SMDDNHRTSA-N 2 1 236.334 2.398 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC3CCC2CC3)C1 ZINC000310169253 961160109 /nfs/dbraw/zinc/16/01/09/961160109.db2.gz OZIRMGBPYVHIBX-JYVUQVBGSA-N 2 1 236.403 2.497 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)CCF ZINC001167835280 961211361 /nfs/dbraw/zinc/21/13/61/961211361.db2.gz QSRDMBPNSKHYFV-GFCCVEGCSA-N 2 1 218.360 2.398 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]1COC ZINC001167834912 961208363 /nfs/dbraw/zinc/20/83/63/961208363.db2.gz NTYNWZGZUFOKQM-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H]1COC ZINC001167834913 961212623 /nfs/dbraw/zinc/21/26/23/961212623.db2.gz NTYNWZGZUFOKQM-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001207631435 961394899 /nfs/dbraw/zinc/39/48/99/961394899.db2.gz HQBPBKHHLRZSMD-FZKCQIBNSA-N 2 1 246.398 2.226 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001207631435 961394924 /nfs/dbraw/zinc/39/49/24/961394924.db2.gz HQBPBKHHLRZSMD-FZKCQIBNSA-N 2 1 246.398 2.226 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001207631435 961394946 /nfs/dbraw/zinc/39/49/46/961394946.db2.gz HQBPBKHHLRZSMD-FZKCQIBNSA-N 2 1 246.398 2.226 20 0 BEADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001207631592 961402404 /nfs/dbraw/zinc/40/24/04/961402404.db2.gz JNEWPUYQDCNBRE-ZVDSWSACSA-N 2 1 246.398 2.082 20 0 BEADMP CCCC[N@H+](CC)CC[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167895456 961515783 /nfs/dbraw/zinc/51/57/83/961515783.db2.gz UCHXZBCGHFHIJQ-WDNDVIMCSA-N 2 1 224.392 2.497 20 0 BEADMP CCCC[N@@H+](CC)CC[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167895456 961515806 /nfs/dbraw/zinc/51/58/06/961515806.db2.gz UCHXZBCGHFHIJQ-WDNDVIMCSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1c[nH+]c(N2CC[C@@]3(C2)CCC[NH2+]C3)c(C)c1 ZINC000709933177 961891436 /nfs/dbraw/zinc/89/14/36/961891436.db2.gz XCUXYJZOBUTESM-HNNXBMFYSA-N 2 1 245.370 2.278 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+]CCCc2ccccn2)CC1 ZINC000710433512 962378504 /nfs/dbraw/zinc/37/85/04/962378504.db2.gz IRDQULXGMBLAQC-OAHLLOKOSA-N 2 1 247.386 2.088 20 0 BEADMP Cc1cc[nH+]c(NC[C@@]2(F)CCCC[NH2+]C2)c1 ZINC001155114898 962981721 /nfs/dbraw/zinc/98/17/21/962981721.db2.gz HEHYWBDKRBHUJH-CYBMUJFWSA-N 2 1 237.322 2.284 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300952074 963043647 /nfs/dbraw/zinc/04/36/47/963043647.db2.gz OKCHGWJKYFRSME-GHMZBOCLSA-N 2 1 232.318 2.093 20 0 BEADMP CN(c1ccc2c([nH+]1)CCCC2)C1CC[NH2+]CC1 ZINC001156172245 963274284 /nfs/dbraw/zinc/27/42/84/963274284.db2.gz MHEXZRMICGEXNG-UHFFFAOYSA-N 2 1 245.370 2.149 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000896719339 963472877 /nfs/dbraw/zinc/47/28/77/963472877.db2.gz CWXFJRMGRIPEEJ-SNPRPXQTSA-N 2 1 247.386 2.320 20 0 BEADMP C[C@H]([N@@H+](C)C[C@@H]1CCCC[NH2+]C1)C1(C)CC1 ZINC000697013844 963640004 /nfs/dbraw/zinc/64/00/04/963640004.db2.gz AIHCYNJVRWHKCY-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CC1CCC([N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CC1 ZINC001168222138 964003382 /nfs/dbraw/zinc/00/33/82/964003382.db2.gz ZFCKSMNKLCYLNJ-HXSCFSKGSA-N 2 1 236.403 2.449 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)[C@@H](C)Cc1ccncc1 ZINC001256747087 1169836819 /nfs/dbraw/zinc/83/68/19/1169836819.db2.gz CLJNPUWJPHQDEK-AWEZNQCLSA-N 2 1 249.402 2.286 20 0 BEADMP C(=CC1CC[NH2+]CC1)Nc1ccc2[nH]c[nH+]c2c1 ZINC001160224524 964263693 /nfs/dbraw/zinc/26/36/93/964263693.db2.gz RQUOFWDYMORKQG-VMPITWQZSA-N 2 1 242.326 2.488 20 0 BEADMP C[NH+](C)C1CCC([N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001168324720 964444664 /nfs/dbraw/zinc/44/46/64/964444664.db2.gz VUAYJDRTOSBGOE-LLZFXZEUSA-N 2 1 236.403 2.447 20 0 BEADMP Cc1nc(N[C@@H](C[NH3+])C(C)(C)C)c(C)c(C)[nH+]1 ZINC001160914004 964446641 /nfs/dbraw/zinc/44/66/41/964446641.db2.gz CRUYUVYTHMUQKQ-NSHDSACASA-N 2 1 236.363 2.187 20 0 BEADMP C[NH+](C)C1CCC([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC1 ZINC001168323230 964447486 /nfs/dbraw/zinc/44/74/86/964447486.db2.gz VXAYUSZDJCJXLZ-FDZXDKCCSA-N 2 1 240.366 2.292 20 0 BEADMP C[C@H](CC[NH2+]Cc1ccc(F)c(F)c1)[NH+](C)C ZINC000697824272 964537403 /nfs/dbraw/zinc/53/74/03/964537403.db2.gz AYEOPQWJTFTUCX-SNVBAGLBSA-N 2 1 242.313 2.395 20 0 BEADMP Cc1cc(C[NH2+]CC[C@H](C)[NH+](C)C)cs1 ZINC000697889013 964641843 /nfs/dbraw/zinc/64/18/43/964641843.db2.gz KFOWUWBTQJWECP-JTQLQIEISA-N 2 1 226.389 2.486 20 0 BEADMP CN(C)c1cccc(N[C@]2(C)CCC[N@H+](C)C2)[nH+]1 ZINC001162341122 964938995 /nfs/dbraw/zinc/93/89/95/964938995.db2.gz ISXQQLUJIBYVAU-CQSZACIVSA-N 2 1 248.374 2.044 20 0 BEADMP CN(C)c1cccc(N[C@]2(C)CCC[N@@H+](C)C2)[nH+]1 ZINC001162341122 964938999 /nfs/dbraw/zinc/93/89/99/964938999.db2.gz ISXQQLUJIBYVAU-CQSZACIVSA-N 2 1 248.374 2.044 20 0 BEADMP COc1c[nH+]c(N[C@@H]2CCC[C@@H]([NH3+])C2)cc1C ZINC001162393112 964952581 /nfs/dbraw/zinc/95/25/81/964952581.db2.gz IWDIFNWKXRYSES-GHMZBOCLSA-N 2 1 235.331 2.080 20 0 BEADMP Cn1ccc2cc[nH+]c(N[C@@H]3CCC[C@H]([NH3+])C3)c21 ZINC001162394881 964955411 /nfs/dbraw/zinc/95/54/11/964955411.db2.gz RLFMRUOSXLMTHQ-NWDGAFQWSA-N 2 1 244.342 2.255 20 0 BEADMP Cn1ccc2cc[nH+]c(N[C@H]3CCC[C@@H]([NH3+])C3)c21 ZINC001162394880 964957409 /nfs/dbraw/zinc/95/74/09/964957409.db2.gz RLFMRUOSXLMTHQ-NEPJUHHUSA-N 2 1 244.342 2.255 20 0 BEADMP [NH3+][C@@H]1CCC[C@H](Nc2ccc3[nH]c[nH+]c3c2)C1 ZINC001162406153 964966483 /nfs/dbraw/zinc/96/64/83/964966483.db2.gz ZSNLUUUMJWKBAQ-ZJUUUORDSA-N 2 1 230.315 2.245 20 0 BEADMP Cc1cc(NC[C@H]2C[NH2+][C@H](C)C2)[nH+]c2cc[nH]c21 ZINC001162559793 965050716 /nfs/dbraw/zinc/05/07/16/965050716.db2.gz SZESAXYBHNMOLV-GHMZBOCLSA-N 2 1 244.342 2.281 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC1CC(C)C1 ZINC000691033368 965269518 /nfs/dbraw/zinc/26/95/18/965269518.db2.gz NAYCNFXWKUZTLV-BPCQOVAHSA-N 2 1 212.381 2.338 20 0 BEADMP C[N@@H+](CCc1ccccc1)C1CCC([NH3+])CC1 ZINC000088195514 965444217 /nfs/dbraw/zinc/44/42/17/965444217.db2.gz OQDRBGHSEFTYAA-UHFFFAOYSA-N 2 1 232.371 2.431 20 0 BEADMP CC[N@H+]1CCCN(c2cc3[nH]ccc3c[nH+]2)CC1 ZINC001163771346 965575619 /nfs/dbraw/zinc/57/56/19/965575619.db2.gz PIAVHLDSWNSUBT-UHFFFAOYSA-N 2 1 244.342 2.095 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1F ZINC001205093654 965719501 /nfs/dbraw/zinc/71/95/01/965719501.db2.gz DFXQJSFNIMEMMD-CYBMUJFWSA-N 2 1 236.334 2.447 20 0 BEADMP CCc1ccc[nH+]c1N(CCC[NH3+])C(C)C ZINC001164121843 965741426 /nfs/dbraw/zinc/74/14/26/965741426.db2.gz YYGJMXPQRVGHFA-UHFFFAOYSA-N 2 1 221.348 2.208 20 0 BEADMP Cc1c[nH+]c(N(CCC[NH3+])C(C)C)c2[nH]ccc21 ZINC001164121770 965742719 /nfs/dbraw/zinc/74/27/19/965742719.db2.gz WECRKLPUGJMXBD-UHFFFAOYSA-N 2 1 246.358 2.435 20 0 BEADMP C[N@H+](Cc1cccnc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699261408 965826359 /nfs/dbraw/zinc/82/63/59/965826359.db2.gz RHTXHVUNHDBBCL-GOOCMWNKSA-N 2 1 245.370 2.044 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(C)cc1O ZINC001205110302 965836109 /nfs/dbraw/zinc/83/61/09/965836109.db2.gz RECAWZPLLLURDK-CQSZACIVSA-N 2 1 248.370 2.322 20 0 BEADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000699305556 965843310 /nfs/dbraw/zinc/84/33/10/965843310.db2.gz ODKBWQYDICKZBT-YOGCLGLASA-N 2 1 208.349 2.001 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001235039603 965986913 /nfs/dbraw/zinc/98/69/13/965986913.db2.gz VWBYIUXOKAPWBI-LJISPDSOSA-N 2 1 234.387 2.415 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001235039603 965986924 /nfs/dbraw/zinc/98/69/24/965986924.db2.gz VWBYIUXOKAPWBI-LJISPDSOSA-N 2 1 234.387 2.415 20 0 BEADMP C[NH2+]C[C@H]1CCCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000699569238 965999041 /nfs/dbraw/zinc/99/90/41/965999041.db2.gz IYRMBNIHFFZWBU-KGLIPLIRSA-N 2 1 240.391 2.020 20 0 BEADMP C[NH2+]C[C@H]1CCCC[N@H+]1CC[C@@H]1CCCCO1 ZINC000699569238 965999045 /nfs/dbraw/zinc/99/90/45/965999045.db2.gz IYRMBNIHFFZWBU-KGLIPLIRSA-N 2 1 240.391 2.020 20 0 BEADMP CC[C@H](C)C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235123366 966008619 /nfs/dbraw/zinc/00/86/19/966008619.db2.gz JIRJCLONQSZDNO-STQMWFEESA-N 2 1 210.365 2.251 20 0 BEADMP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1cccc3cc[nH]c31)C2 ZINC001235158251 966011702 /nfs/dbraw/zinc/01/17/02/966011702.db2.gz OOUPVUZVKNBAIF-DZGCQCFKSA-N 2 1 241.338 2.091 20 0 BEADMP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1cccc3cc[nH]c31)C2 ZINC001235158251 966011719 /nfs/dbraw/zinc/01/17/19/966011719.db2.gz OOUPVUZVKNBAIF-DZGCQCFKSA-N 2 1 241.338 2.091 20 0 BEADMP CNc1ccc(NCC[C@@H]2CCC[N@H+](C)C2)c[nH+]1 ZINC001165278861 966025904 /nfs/dbraw/zinc/02/59/04/966025904.db2.gz MUAHSLGVPORPGI-LBPRGKRZSA-N 2 1 248.374 2.267 20 0 BEADMP CNc1ccc(NCC[C@@H]2CCC[N@@H+](C)C2)c[nH+]1 ZINC001165278861 966025921 /nfs/dbraw/zinc/02/59/21/966025921.db2.gz MUAHSLGVPORPGI-LBPRGKRZSA-N 2 1 248.374 2.267 20 0 BEADMP CC/C=C\CCC[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958529 966181420 /nfs/dbraw/zinc/18/14/20/966181420.db2.gz HFRGQSADDLXXPF-MAUVLDTNSA-N 2 1 222.376 2.402 20 0 BEADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](CCCCc1ccccc1)C2 ZINC001235978874 966188163 /nfs/dbraw/zinc/18/81/63/966188163.db2.gz LBYLDNWZBSVJEP-JKSUJKDBSA-N 2 1 244.382 2.432 20 0 BEADMP CCc1ccccc1C[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235986390 966199238 /nfs/dbraw/zinc/19/92/38/966199238.db2.gz DSBYZFMHPASKLN-LSDHHAIUSA-N 2 1 230.355 2.172 20 0 BEADMP CCc1ccccc1C[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235986390 966199256 /nfs/dbraw/zinc/19/92/56/966199256.db2.gz DSBYZFMHPASKLN-LSDHHAIUSA-N 2 1 230.355 2.172 20 0 BEADMP C[C@@H](C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C)c1ccccc1 ZINC001205171714 966211671 /nfs/dbraw/zinc/21/16/71/966211671.db2.gz VYNGUEIGFQZPAH-OUCADQQQSA-N 2 1 218.344 2.212 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@@H]([NH3+])[C@H]1C)c1ccccc1 ZINC001205171714 966211686 /nfs/dbraw/zinc/21/16/86/966211686.db2.gz VYNGUEIGFQZPAH-OUCADQQQSA-N 2 1 218.344 2.212 20 0 BEADMP CC(C)(CC[N@@H+]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC001236170717 966291337 /nfs/dbraw/zinc/29/13/37/966291337.db2.gz ZLQQBHGSKHNCOP-AWEZNQCLSA-N 2 1 232.371 2.387 20 0 BEADMP CC(C)(CC[N@H+]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC001236170717 966291343 /nfs/dbraw/zinc/29/13/43/966291343.db2.gz ZLQQBHGSKHNCOP-AWEZNQCLSA-N 2 1 232.371 2.387 20 0 BEADMP Cc1cccc(C)c1C[NH+]1CC(C)(C[NH3+])C1 ZINC001206717993 966406313 /nfs/dbraw/zinc/40/63/13/966406313.db2.gz JDQKDYKOWVXSKA-UHFFFAOYSA-N 2 1 218.344 2.084 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc2ccoc21 ZINC001205197520 966813516 /nfs/dbraw/zinc/81/35/16/966813516.db2.gz PUZSVOZTAJMIHN-ZWNOBZJWSA-N 2 1 230.311 2.354 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc2ccoc21 ZINC001205197520 966813526 /nfs/dbraw/zinc/81/35/26/966813526.db2.gz PUZSVOZTAJMIHN-ZWNOBZJWSA-N 2 1 230.311 2.354 20 0 BEADMP Cc1c(F)cccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001204511086 967015597 /nfs/dbraw/zinc/01/55/97/967015597.db2.gz RBKAEMMWZSMWKN-OKILXGFUSA-N 2 1 248.345 2.128 20 0 BEADMP Cc1c(F)cccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001204511086 967015608 /nfs/dbraw/zinc/01/56/08/967015608.db2.gz RBKAEMMWZSMWKN-OKILXGFUSA-N 2 1 248.345 2.128 20 0 BEADMP Cc1c(F)cccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001204511086 967015617 /nfs/dbraw/zinc/01/56/17/967015617.db2.gz RBKAEMMWZSMWKN-OKILXGFUSA-N 2 1 248.345 2.128 20 0 BEADMP Cc1c(F)cccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001204511086 967015623 /nfs/dbraw/zinc/01/56/23/967015623.db2.gz RBKAEMMWZSMWKN-OKILXGFUSA-N 2 1 248.345 2.128 20 0 BEADMP CC[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C1CCCCC1 ZINC001204598009 967100052 /nfs/dbraw/zinc/10/00/52/967100052.db2.gz FDAFQVZLLYORQV-ZDUSSCGKSA-N 2 1 240.391 2.366 20 0 BEADMP CC[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C1CCCCC1 ZINC001204598009 967100065 /nfs/dbraw/zinc/10/00/65/967100065.db2.gz FDAFQVZLLYORQV-ZDUSSCGKSA-N 2 1 240.391 2.366 20 0 BEADMP CCc1cccc(C)c1C[N@@H+]1CCC[NH2+]CC1 ZINC001204684073 967129597 /nfs/dbraw/zinc/12/95/97/967129597.db2.gz FVODMIIFQBYWJI-UHFFFAOYSA-N 2 1 232.371 2.353 20 0 BEADMP CCc1cccc(C)c1C[N@H+]1CCC[NH2+]CC1 ZINC001204684073 967129602 /nfs/dbraw/zinc/12/96/02/967129602.db2.gz FVODMIIFQBYWJI-UHFFFAOYSA-N 2 1 232.371 2.353 20 0 BEADMP CCCC[C@@H](CC)C[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001204748756 967148620 /nfs/dbraw/zinc/14/86/20/967148620.db2.gz SYTXQQLRBHCOHR-KGLIPLIRSA-N 2 1 242.407 2.252 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)CC1 ZINC001204904336 967224028 /nfs/dbraw/zinc/22/40/28/967224028.db2.gz OTAMWQZPMWRASK-MELADBBJSA-N 2 1 234.387 2.402 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)CC1 ZINC001204904336 967224038 /nfs/dbraw/zinc/22/40/38/967224038.db2.gz OTAMWQZPMWRASK-MELADBBJSA-N 2 1 234.387 2.402 20 0 BEADMP Cc1cccc(CC[N@@H+]2CCC[C@](C)([NH3+])C2)c1 ZINC001204940086 967246320 /nfs/dbraw/zinc/24/63/20/967246320.db2.gz VMEMMPVAQVVCJI-HNNXBMFYSA-N 2 1 232.371 2.351 20 0 BEADMP Cc1cccc(CC[N@H+]2CCC[C@](C)([NH3+])C2)c1 ZINC001204940086 967246327 /nfs/dbraw/zinc/24/63/27/967246327.db2.gz VMEMMPVAQVVCJI-HNNXBMFYSA-N 2 1 232.371 2.351 20 0 BEADMP COc1ccc(CC[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205058926 967312453 /nfs/dbraw/zinc/31/24/53/967312453.db2.gz YODXDDFFUWNRKC-JSGCOSHPSA-N 2 1 248.370 2.049 20 0 BEADMP COc1ccc(CC[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205058926 967312463 /nfs/dbraw/zinc/31/24/63/967312463.db2.gz YODXDDFFUWNRKC-JSGCOSHPSA-N 2 1 248.370 2.049 20 0 BEADMP CNc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2CN)cc1 ZINC001205087734 967330074 /nfs/dbraw/zinc/33/00/74/967330074.db2.gz INWKMLHYMWZTGU-FZMZJTMJSA-N 2 1 233.359 2.040 20 0 BEADMP CNc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205087734 967330094 /nfs/dbraw/zinc/33/00/94/967330094.db2.gz INWKMLHYMWZTGU-FZMZJTMJSA-N 2 1 233.359 2.040 20 0 BEADMP CNc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205087734 967330106 /nfs/dbraw/zinc/33/01/06/967330106.db2.gz INWKMLHYMWZTGU-FZMZJTMJSA-N 2 1 233.359 2.040 20 0 BEADMP Cc1ccc(F)c(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205093909 967339082 /nfs/dbraw/zinc/33/90/82/967339082.db2.gz HWQWDERILOIIQP-ZDUSSCGKSA-N 2 1 236.334 2.447 20 0 BEADMP Cc1ccc(F)c(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205093909 967339090 /nfs/dbraw/zinc/33/90/90/967339090.db2.gz HWQWDERILOIIQP-ZDUSSCGKSA-N 2 1 236.334 2.447 20 0 BEADMP COc1ccsc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205110267 967358538 /nfs/dbraw/zinc/35/85/38/967358538.db2.gz QLUPPDGYUOBMOS-JTQLQIEISA-N 2 1 240.372 2.070 20 0 BEADMP COCc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205116624 967363784 /nfs/dbraw/zinc/36/37/84/967363784.db2.gz FBHACXZNJLKTLY-OAHLLOKOSA-N 2 1 248.370 2.146 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)ccn1 ZINC001205263640 967456634 /nfs/dbraw/zinc/45/66/34/967456634.db2.gz BCQBDNLEDOUEIT-CQSZACIVSA-N 2 1 233.359 2.093 20 0 BEADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1cccc2c1CCC2 ZINC001205340612 967556072 /nfs/dbraw/zinc/55/60/72/967556072.db2.gz XKGVCHODMOKBQV-ZDUSSCGKSA-N 2 1 244.382 2.359 20 0 BEADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1cccc2c1CCC2 ZINC001205340612 967556086 /nfs/dbraw/zinc/55/60/86/967556086.db2.gz XKGVCHODMOKBQV-ZDUSSCGKSA-N 2 1 244.382 2.359 20 0 BEADMP C[NH+](C)CCCCNc1cc(Cl)cc(N)[nH+]1 ZINC001161725470 967618366 /nfs/dbraw/zinc/61/83/66/967618366.db2.gz ZBBCVNZRJJTHHU-UHFFFAOYSA-N 2 1 242.754 2.071 20 0 BEADMP Cc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cs1 ZINC000708864162 967681474 /nfs/dbraw/zinc/68/14/74/967681474.db2.gz XGBZLTOOERYNPF-JOYOIKCWSA-N 2 1 224.373 2.083 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CCC=C(C)C2)CC1 ZINC001205548522 967686576 /nfs/dbraw/zinc/68/65/76/967686576.db2.gz WWYGXZKNYGUNQF-UHFFFAOYSA-N 2 1 222.376 2.370 20 0 BEADMP Cc1cnccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205602628 967719195 /nfs/dbraw/zinc/71/91/95/967719195.db2.gz KSPGCQQEZVNOMB-GXTWGEPZSA-N 2 1 247.386 2.197 20 0 BEADMP CS[C@H](C)CC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205602589 967720827 /nfs/dbraw/zinc/72/08/27/967720827.db2.gz KBRQRGRPMILCNH-YNEHKIRRSA-N 2 1 244.448 2.435 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)nc1 ZINC001205626749 967735095 /nfs/dbraw/zinc/73/50/95/967735095.db2.gz IVWSSYLWYITVOC-KBPBESRZSA-N 2 1 247.386 2.197 20 0 BEADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccn1C1CC1 ZINC001117784586 967775057 /nfs/dbraw/zinc/77/50/57/967775057.db2.gz KVKJWUJKDVUBTA-GFCCVEGCSA-N 2 1 235.375 2.253 20 0 BEADMP CS[C@H](C)CC[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205981709 967900773 /nfs/dbraw/zinc/90/07/73/967900773.db2.gz FWRPTWBQSGLAHA-JHJVBQTASA-N 2 1 244.448 2.435 20 0 BEADMP CCCCC[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205984687 967934923 /nfs/dbraw/zinc/93/49/23/967934923.db2.gz UEBGOAMDNHBMQM-OLZOCXBDSA-N 2 1 212.381 2.483 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)[nH]1 ZINC001205995476 967951806 /nfs/dbraw/zinc/95/18/06/967951806.db2.gz OIPQBBFNQYVEDB-WCQYABFASA-N 2 1 235.375 2.130 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)nc1 ZINC001206003767 967962414 /nfs/dbraw/zinc/96/24/14/967962414.db2.gz MKJKRTVFOPQJDG-KGLIPLIRSA-N 2 1 247.386 2.197 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2cccc(N)c2)CCC[C@@H]1C[NH3+] ZINC001206013478 967970142 /nfs/dbraw/zinc/97/01/42/967970142.db2.gz ROHKQXXPBVZDSF-TZMCWYRMSA-N 2 1 247.386 2.076 20 0 BEADMP C[C@@]1(C[N@H+]2CCCC3(CC3)C2)CCC[NH2+]C1 ZINC000695132509 967972231 /nfs/dbraw/zinc/97/22/31/967972231.db2.gz UGCLXRHFHQAYQX-CYBMUJFWSA-N 2 1 222.376 2.252 20 0 BEADMP C[C@H](C[NH+](C)C)Nc1cc2[nH+]c[nH]c2cc1F ZINC001163783090 968121283 /nfs/dbraw/zinc/12/12/83/968121283.db2.gz YDQXNPVGZSWENC-MRVPVSSYSA-N 2 1 236.294 2.064 20 0 BEADMP Cc1cc[nH+]c2cc(N3CC[C@@H]([NH3+])C3)ccc12 ZINC001164281931 968206797 /nfs/dbraw/zinc/20/67/97/968206797.db2.gz RANPMZZWYBXVHC-LLVKDONJSA-N 2 1 227.311 2.081 20 0 BEADMP CC(C)(C)C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206541430 968369157 /nfs/dbraw/zinc/36/91/57/968369157.db2.gz HKXUHYUNBFACCT-CYBMUJFWSA-N 2 1 212.381 2.483 20 0 BEADMP Cc1[nH+]c2ccccn2c1Nc1cc[nH+]c(N)c1 ZINC001206529043 968358291 /nfs/dbraw/zinc/35/82/91/968358291.db2.gz QRZPNBREQMFFNZ-UHFFFAOYSA-N 2 1 239.282 2.364 20 0 BEADMP CC[C@@H](C)C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206541871 968366084 /nfs/dbraw/zinc/36/60/84/968366084.db2.gz MHFHLFXPOHUYID-CHWSQXEVSA-N 2 1 212.381 2.483 20 0 BEADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CCC2CC2)C1 ZINC001206542035 968369323 /nfs/dbraw/zinc/36/93/23/968369323.db2.gz PMUIOVBXZHUYFM-ZDUSSCGKSA-N 2 1 210.365 2.237 20 0 BEADMP CC[C@H](C)C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206541874 968369554 /nfs/dbraw/zinc/36/95/54/968369554.db2.gz MHFHLFXPOHUYID-STQMWFEESA-N 2 1 212.381 2.483 20 0 BEADMP C[C@@]1(C[NH3+])CCCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC001206542013 968369794 /nfs/dbraw/zinc/36/97/94/968369794.db2.gz PEVATNWFQNBGIR-KGLIPLIRSA-N 2 1 240.391 2.006 20 0 BEADMP Cc1ncccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206548965 968373148 /nfs/dbraw/zinc/37/31/48/968373148.db2.gz LERHUQOSYBPJSN-HNNXBMFYSA-N 2 1 247.386 2.341 20 0 BEADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccccc2N)C1 ZINC001206575772 968394651 /nfs/dbraw/zinc/39/46/51/968394651.db2.gz YFNHFENTEPPMKS-OAHLLOKOSA-N 2 1 247.386 2.220 20 0 BEADMP CNc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1 ZINC001206640949 968426011 /nfs/dbraw/zinc/42/60/11/968426011.db2.gz PXKMKYIOTYOEHJ-AWEZNQCLSA-N 2 1 247.386 2.289 20 0 BEADMP CC1(C[NH3+])C[NH+](Cc2cccc3c2CCCC3)C1 ZINC001206730328 968445233 /nfs/dbraw/zinc/44/52/33/968445233.db2.gz RRBUXZDXXNVKLK-UHFFFAOYSA-N 2 1 244.382 2.346 20 0 BEADMP CC1(C[NH3+])C[NH+](Cc2cccc3ccoc32)C1 ZINC001206736295 968447204 /nfs/dbraw/zinc/44/72/04/968447204.db2.gz AYRBQKYTQFGAJX-UHFFFAOYSA-N 2 1 230.311 2.213 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@H+]1CCCC1(C)C ZINC001207274755 968693832 /nfs/dbraw/zinc/69/38/32/968693832.db2.gz GCOKQOSKHABHEL-UHFFFAOYSA-N 2 1 212.381 2.449 20 0 BEADMP CC[N@H+](Cc1cccnc1)CC1CC[NH+](C)CC1 ZINC001207398343 968751219 /nfs/dbraw/zinc/75/12/19/968751219.db2.gz JHWPOMYDNYKRHG-UHFFFAOYSA-N 2 1 247.386 2.245 20 0 BEADMP C[NH+]1CCC(CC[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)CC1 ZINC001207481505 968793093 /nfs/dbraw/zinc/79/30/93/968793093.db2.gz JMFFQUXYMSTKJH-IHRRRGAJSA-N 2 1 240.366 2.008 20 0 BEADMP CC[N@@H+](CCC1CC[NH+](C)CC1)C1CC1 ZINC001207479418 968794457 /nfs/dbraw/zinc/79/44/57/968794457.db2.gz IOLPXRXQYQLWOA-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H]2CF)CC1 ZINC001207488509 968803012 /nfs/dbraw/zinc/80/30/12/968803012.db2.gz LUKPXODKGSLQFW-CYBMUJFWSA-N 2 1 228.355 2.152 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001207634503 968852544 /nfs/dbraw/zinc/85/25/44/968852544.db2.gz HWCSVTWDWCSKPC-ZNMIVQPWSA-N 2 1 246.398 2.369 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207632930 968853358 /nfs/dbraw/zinc/85/33/58/968853358.db2.gz WAAJVZFKAQSXOP-RRFJBIMHSA-N 2 1 236.403 2.472 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208104261 969002473 /nfs/dbraw/zinc/00/24/73/969002473.db2.gz KJLZWBRAGXWAAR-CYBMUJFWSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH+]1CCC(C)(C[N@H+]2CCn3cccc3C2)CC1 ZINC001208107176 969002664 /nfs/dbraw/zinc/00/26/64/969002664.db2.gz PPQPCYOOFIZWMZ-UHFFFAOYSA-N 2 1 247.386 2.036 20 0 BEADMP C[NH+](C)CC1(C[NH+]2CCSCC2)CCCC1 ZINC001208185199 969119311 /nfs/dbraw/zinc/11/93/11/969119311.db2.gz WNNKWQKPDJJGNK-UHFFFAOYSA-N 2 1 242.432 2.157 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](F)C2)CC1 ZINC001208597432 969150099 /nfs/dbraw/zinc/15/00/99/969150099.db2.gz HKBLOCYQFLJSHJ-ZDUSSCGKSA-N 2 1 228.355 2.152 20 0 BEADMP CC1CC([N@H+](C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208606485 969153601 /nfs/dbraw/zinc/15/36/01/969153601.db2.gz GVTMRDSLEYWGLH-OTTFEQOBSA-N 2 1 210.365 2.059 20 0 BEADMP CC1CC([N@@H+](C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208606485 969153604 /nfs/dbraw/zinc/15/36/04/969153604.db2.gz GVTMRDSLEYWGLH-OTTFEQOBSA-N 2 1 210.365 2.059 20 0 BEADMP CC1CC([NH+](C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208606485 969153611 /nfs/dbraw/zinc/15/36/11/969153611.db2.gz GVTMRDSLEYWGLH-OTTFEQOBSA-N 2 1 210.365 2.059 20 0 BEADMP CC1CC([NH+](C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208606485 969153616 /nfs/dbraw/zinc/15/36/16/969153616.db2.gz GVTMRDSLEYWGLH-OTTFEQOBSA-N 2 1 210.365 2.059 20 0 BEADMP C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H](F)C2)C1 ZINC001208606492 969156084 /nfs/dbraw/zinc/15/60/84/969156084.db2.gz HBDNGYRIMIVKMC-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H](F)C2)C1 ZINC001208606492 969156090 /nfs/dbraw/zinc/15/60/90/969156090.db2.gz HBDNGYRIMIVKMC-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H](F)C2)C1 ZINC001208606492 969156096 /nfs/dbraw/zinc/15/60/96/969156096.db2.gz HBDNGYRIMIVKMC-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H](F)C2)C1 ZINC001208606492 969156099 /nfs/dbraw/zinc/15/60/99/969156099.db2.gz HBDNGYRIMIVKMC-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP C[N@@H+](C[C@@H]1CC1(C)C)C[C@@H]1CCC[NH+](C)C1 ZINC001208607574 969165232 /nfs/dbraw/zinc/16/52/32/969165232.db2.gz DDHQDWOCYUXIQC-OLZOCXBDSA-N 2 1 224.392 2.306 20 0 BEADMP C[NH+](C[C@@H]1CC1(C)C)C[C@@H]1CCC[N@H+](C)C1 ZINC001208607574 969165239 /nfs/dbraw/zinc/16/52/39/969165239.db2.gz DDHQDWOCYUXIQC-OLZOCXBDSA-N 2 1 224.392 2.306 20 0 BEADMP C[NH+](C[C@@H]1CC1(C)C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208607574 969165240 /nfs/dbraw/zinc/16/52/40/969165240.db2.gz DDHQDWOCYUXIQC-OLZOCXBDSA-N 2 1 224.392 2.306 20 0 BEADMP CC(C)CCC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001208736509 969229800 /nfs/dbraw/zinc/22/98/00/969229800.db2.gz JBTROXLXHDOLBE-UHFFFAOYSA-N 2 1 221.348 2.177 20 0 BEADMP CC(C)CCC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001208736509 969229809 /nfs/dbraw/zinc/22/98/09/969229809.db2.gz JBTROXLXHDOLBE-UHFFFAOYSA-N 2 1 221.348 2.177 20 0 BEADMP Cc1ccc(C)c(NC2=CC[N@@H+](C)CC2)n1 ZINC001208742220 969233390 /nfs/dbraw/zinc/23/33/90/969233390.db2.gz SZODKXUFUNUFMK-UHFFFAOYSA-N 2 1 217.316 2.330 20 0 BEADMP C[NH+](C)Cc1ccccc1NC1=CC[N@@H+](C)CC1 ZINC001208910334 969296260 /nfs/dbraw/zinc/29/62/60/969296260.db2.gz NTUHIUYNDVUDFP-UHFFFAOYSA-N 2 1 245.370 2.380 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccoc2)CCC[C@@H]1C[NH3+] ZINC001205996333 969304442 /nfs/dbraw/zinc/30/44/42/969304442.db2.gz WGQIDGOMUCXZBF-WCQYABFASA-N 2 1 222.332 2.086 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccco1)C2 ZINC001169096147 969387692 /nfs/dbraw/zinc/38/76/92/969387692.db2.gz UVOLIJQRSSMGBW-CLLJXQQHSA-N 2 1 234.343 2.037 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCC(F)CC1)C2 ZINC001169079243 969400537 /nfs/dbraw/zinc/40/05/37/969400537.db2.gz KIRXHLZLGCJSQN-MOIJGLSHSA-N 2 1 240.366 2.482 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)C2 ZINC001169080306 969401898 /nfs/dbraw/zinc/40/18/98/969401898.db2.gz MKXOZRKMGONXRD-MLGHIDQZSA-N 2 1 226.339 2.092 20 0 BEADMP CC(C)[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169080944 969402506 /nfs/dbraw/zinc/40/25/06/969402506.db2.gz NYAKOTKWVZUILG-FVCCEPFGSA-N 2 1 210.365 2.246 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@@H](F)C1)C2 ZINC001169081361 969402954 /nfs/dbraw/zinc/40/29/54/969402954.db2.gz RYWKNOQICIUYQJ-XGFWRYKXSA-N 2 1 240.366 2.482 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCC(F)(F)C1)C2 ZINC001169081775 969403440 /nfs/dbraw/zinc/40/34/40/969403440.db2.gz WHIMNTJBEJATAL-FIQHERPVSA-N 2 1 244.329 2.389 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccs1)C2 ZINC001169080942 969404416 /nfs/dbraw/zinc/40/44/16/969404416.db2.gz NXHYULAMQYJKFI-ZSBIGDGJSA-N 2 1 236.384 2.463 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC13CCC3)C2 ZINC001169116578 969411470 /nfs/dbraw/zinc/41/14/70/969411470.db2.gz RDVRBPYOQUAPQL-YVECIDJPSA-N 2 1 220.360 2.144 20 0 BEADMP C[N@H+](Cc1ccncc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124255 969419557 /nfs/dbraw/zinc/41/95/57/969419557.db2.gz BDUDNUIXXJLRBM-FICVDOATSA-N 2 1 245.370 2.139 20 0 BEADMP C[N@@H+](Cc1ccncc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124255 969419562 /nfs/dbraw/zinc/41/95/62/969419562.db2.gz BDUDNUIXXJLRBM-FICVDOATSA-N 2 1 245.370 2.139 20 0 BEADMP C[NH+](Cc1ccncc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169124255 969419564 /nfs/dbraw/zinc/41/95/64/969419564.db2.gz BDUDNUIXXJLRBM-FICVDOATSA-N 2 1 245.370 2.139 20 0 BEADMP C[NH+](Cc1ccncc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124255 969419569 /nfs/dbraw/zinc/41/95/69/969419569.db2.gz BDUDNUIXXJLRBM-FICVDOATSA-N 2 1 245.370 2.139 20 0 BEADMP C[N@H+](Cc1ccncc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124257 969420289 /nfs/dbraw/zinc/42/02/89/969420289.db2.gz BDUDNUIXXJLRBM-QDMKHBRRSA-N 2 1 245.370 2.139 20 0 BEADMP C[N@@H+](Cc1ccncc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124257 969420294 /nfs/dbraw/zinc/42/02/94/969420294.db2.gz BDUDNUIXXJLRBM-QDMKHBRRSA-N 2 1 245.370 2.139 20 0 BEADMP C[NH+](Cc1ccncc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169124257 969420299 /nfs/dbraw/zinc/42/02/99/969420299.db2.gz BDUDNUIXXJLRBM-QDMKHBRRSA-N 2 1 245.370 2.139 20 0 BEADMP C[NH+](Cc1ccncc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124257 969420303 /nfs/dbraw/zinc/42/03/03/969420303.db2.gz BDUDNUIXXJLRBM-QDMKHBRRSA-N 2 1 245.370 2.139 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H](F)CC1)C2 ZINC001169124921 969426841 /nfs/dbraw/zinc/42/68/41/969426841.db2.gz HDTROSXKIQMMOY-MQYQWHSLSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](F)CC1)C2 ZINC001169124921 969426847 /nfs/dbraw/zinc/42/68/47/969426847.db2.gz HDTROSXKIQMMOY-MQYQWHSLSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](F)CC1)C2 ZINC001169124921 969426850 /nfs/dbraw/zinc/42/68/50/969426850.db2.gz HDTROSXKIQMMOY-MQYQWHSLSA-N 2 1 240.366 2.436 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC3(C1)CCCC3)C2 ZINC001169129859 969436864 /nfs/dbraw/zinc/43/68/64/969436864.db2.gz KYWOUGLHXMCYIC-BTTYYORXSA-N 2 1 234.387 2.488 20 0 BEADMP C[NH+](C1CCCC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169141069 969453379 /nfs/dbraw/zinc/45/33/79/969453379.db2.gz OOUBZNBUDVJIQU-WDNDVIMCSA-N 2 1 222.376 2.486 20 0 BEADMP C[NH+](C1CCCC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169141069 969453386 /nfs/dbraw/zinc/45/33/86/969453386.db2.gz OOUBZNBUDVJIQU-WDNDVIMCSA-N 2 1 222.376 2.486 20 0 BEADMP CC[NH+]1CCC([N@@H+]2C[C@H](C)CC23CC3)CC1 ZINC001169262157 969519897 /nfs/dbraw/zinc/51/98/97/969519897.db2.gz UJGZLFJXHWYNKZ-GFCCVEGCSA-N 2 1 222.376 2.345 20 0 BEADMP CC[NH+]1CCC([N@H+]2C[C@H](C)CC23CC3)CC1 ZINC001169262157 969519906 /nfs/dbraw/zinc/51/99/06/969519906.db2.gz UJGZLFJXHWYNKZ-GFCCVEGCSA-N 2 1 222.376 2.345 20 0 BEADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CC2(C)C)CC1 ZINC001169264565 969521015 /nfs/dbraw/zinc/52/10/15/969521015.db2.gz IHPBWVHNJYECJH-GFCCVEGCSA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CC2(C)C)CC1 ZINC001169264565 969521021 /nfs/dbraw/zinc/52/10/21/969521021.db2.gz IHPBWVHNJYECJH-GFCCVEGCSA-N 2 1 224.392 2.449 20 0 BEADMP CCN1CCC([N@H+]2CCCC[C@@H](F)C2)CC1 ZINC001169247078 969536069 /nfs/dbraw/zinc/53/60/69/969536069.db2.gz YPDNTSNQXZNMSY-GFCCVEGCSA-N 2 1 228.355 2.295 20 0 BEADMP CC[NH+]1CCC([N@@H+]2CCC(C)(C)C2)CC1 ZINC001169258273 969544455 /nfs/dbraw/zinc/54/44/55/969544455.db2.gz IBJSUGAUYXZRFU-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP CC[NH+]1CCC([N@H+]2CCC(C)(C)C2)CC1 ZINC001169258273 969544460 /nfs/dbraw/zinc/54/44/60/969544460.db2.gz IBJSUGAUYXZRFU-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccccc1 ZINC000925484611 969552660 /nfs/dbraw/zinc/55/26/60/969552660.db2.gz GQDWPTHYPALAJH-KCQAQPDRSA-N 2 1 248.370 2.091 20 0 BEADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1CCCOC1)c1ccccc1 ZINC000925484609 969554176 /nfs/dbraw/zinc/55/41/76/969554176.db2.gz GQDWPTHYPALAJH-GUTXKFCHSA-N 2 1 248.370 2.091 20 0 BEADMP C[N@H+](CCc1ccccc1)Cc1c[nH+]ccc1N ZINC001209726577 969580820 /nfs/dbraw/zinc/58/08/20/969580820.db2.gz HAALTKAUUUSKJG-UHFFFAOYSA-N 2 1 241.338 2.169 20 0 BEADMP C[N@@H+](CCc1ccccc1)Cc1c[nH+]ccc1N ZINC001209726577 969580825 /nfs/dbraw/zinc/58/08/25/969580825.db2.gz HAALTKAUUUSKJG-UHFFFAOYSA-N 2 1 241.338 2.169 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](F)C2)CC1 ZINC001254497177 969662291 /nfs/dbraw/zinc/66/22/91/969662291.db2.gz HPJFAEOHMLAYAD-FRRDWIJNSA-N 2 1 228.355 2.341 20 0 BEADMP CC[C@@H]1CCC[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254522073 969705939 /nfs/dbraw/zinc/70/59/39/969705939.db2.gz BMSUZWITJLCNIM-CHWSQXEVSA-N 2 1 210.365 2.345 20 0 BEADMP CC[C@@H]1CCC[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254522073 969705944 /nfs/dbraw/zinc/70/59/44/969705944.db2.gz BMSUZWITJLCNIM-CHWSQXEVSA-N 2 1 210.365 2.345 20 0 BEADMP CC[C@@H]1CCC[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254522073 969705955 /nfs/dbraw/zinc/70/59/55/969705955.db2.gz BMSUZWITJLCNIM-CHWSQXEVSA-N 2 1 210.365 2.345 20 0 BEADMP C[NH2+]Cc1cccc(N[C@H]2CCC[N@@H+](C)CC2)c1 ZINC001254526997 969719448 /nfs/dbraw/zinc/71/94/48/969719448.db2.gz VJLRYGQSVZKQPM-AWEZNQCLSA-N 2 1 247.386 2.302 20 0 BEADMP C[NH+](C)CCC(C)(C)Nc1cccn2cc[nH+]c12 ZINC001169717442 969831635 /nfs/dbraw/zinc/83/16/35/969831635.db2.gz GSICMZGWBSMCEA-UHFFFAOYSA-N 2 1 246.358 2.477 20 0 BEADMP Cc1c[nH+]c(CC[NH3+])n1C1Cc2ccccc2C1 ZINC001255012042 969842242 /nfs/dbraw/zinc/84/22/42/969842242.db2.gz IIBHJISVRXXODZ-UHFFFAOYSA-N 2 1 241.338 2.033 20 0 BEADMP CC(C)[N@@H+](CCC[NH3+])C1Cc2ccccc2C1 ZINC001255012058 969844727 /nfs/dbraw/zinc/84/47/27/969844727.db2.gz KEEFHZGGYSBTCY-UHFFFAOYSA-N 2 1 232.371 2.213 20 0 BEADMP Cc1c[nH+]c(NCC[C@@H]2CCC[N@H+](C)C2)cc1N ZINC001156388525 969873602 /nfs/dbraw/zinc/87/36/02/969873602.db2.gz LINICUZGBRRDAN-LBPRGKRZSA-N 2 1 248.374 2.116 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210476638 969901565 /nfs/dbraw/zinc/90/15/65/969901565.db2.gz WLVHUKFEHXARLY-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP CC[NH+](CC)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001255290229 970046382 /nfs/dbraw/zinc/04/63/82/970046382.db2.gz XKQIVPPMOFLIPF-CYBMUJFWSA-N 2 1 242.432 2.298 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CCSC1 ZINC001255295479 970059470 /nfs/dbraw/zinc/05/94/70/970059470.db2.gz YEGLHXLRWJTDJO-LBPRGKRZSA-N 2 1 230.421 2.156 20 0 BEADMP C[N@H+]1CC[C@H](n2ccc3cc(CC[NH3+])ccc32)C1 ZINC001255423235 970145585 /nfs/dbraw/zinc/14/55/85/970145585.db2.gz JVZIUIQQKQCMMK-AWEZNQCLSA-N 2 1 243.354 2.019 20 0 BEADMP C[N@H+]1CCC[C@@H](n2ccc3cccc(C[NH3+])c32)C1 ZINC001255474681 970207632 /nfs/dbraw/zinc/20/76/32/970207632.db2.gz HYMVWTKXLSWBOW-CQSZACIVSA-N 2 1 243.354 2.367 20 0 BEADMP C[C@@H]1CC[C@@H](n2cc[nH+]c2CCC[NH3+])C1 ZINC001170124666 970364193 /nfs/dbraw/zinc/36/41/93/970364193.db2.gz HBFOPXJUZMILIC-GHMZBOCLSA-N 2 1 207.321 2.136 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001170134626 970404776 /nfs/dbraw/zinc/40/47/76/970404776.db2.gz CUMNUOVRIVWWJU-MQYQWHSLSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H]1CC[C@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C1 ZINC001170134626 970404794 /nfs/dbraw/zinc/40/47/94/970404794.db2.gz CUMNUOVRIVWWJU-MQYQWHSLSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H]1CC[C@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C1 ZINC001170134626 970404809 /nfs/dbraw/zinc/40/48/09/970404809.db2.gz CUMNUOVRIVWWJU-MQYQWHSLSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H]1CCC[N@@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255673904 970452521 /nfs/dbraw/zinc/45/25/21/970452521.db2.gz HHUOXMQZZGKFEF-HABKJSAYSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@@H]1CCC[N@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255673904 970452529 /nfs/dbraw/zinc/45/25/29/970452529.db2.gz HHUOXMQZZGKFEF-HABKJSAYSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@@H]1CCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255673904 970452540 /nfs/dbraw/zinc/45/25/40/970452540.db2.gz HHUOXMQZZGKFEF-HABKJSAYSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@@H]1CCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255673904 970452545 /nfs/dbraw/zinc/45/25/45/970452545.db2.gz HHUOXMQZZGKFEF-HABKJSAYSA-N 2 1 222.376 2.486 20 0 BEADMP Cc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001255773956 970477598 /nfs/dbraw/zinc/47/75/98/970477598.db2.gz SHSVAGDAKJAAGA-GOEBONIOSA-N 2 1 246.398 2.467 20 0 BEADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001170159241 970490608 /nfs/dbraw/zinc/49/06/08/970490608.db2.gz RTQGBAPBCMRDDT-BYNSBNAKSA-N 2 1 236.403 2.449 20 0 BEADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001170159241 970490617 /nfs/dbraw/zinc/49/06/17/970490617.db2.gz RTQGBAPBCMRDDT-BYNSBNAKSA-N 2 1 236.403 2.449 20 0 BEADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001170159241 970490622 /nfs/dbraw/zinc/49/06/22/970490622.db2.gz RTQGBAPBCMRDDT-BYNSBNAKSA-N 2 1 236.403 2.449 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@H]1CCO[C@@H](CC)C1 ZINC001170172494 970564675 /nfs/dbraw/zinc/56/46/75/970564675.db2.gz ZQBJNKWRRPRBPD-STQMWFEESA-N 2 1 228.380 2.005 20 0 BEADMP C[C@H]([NH2+]CCSC(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000400461931 970586289 /nfs/dbraw/zinc/58/62/89/970586289.db2.gz UVMHMQOPIWHJFW-QWRGUYRKSA-N 2 1 230.421 2.248 20 0 BEADMP CCC(C)(C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256066148 970632256 /nfs/dbraw/zinc/63/22/56/970632256.db2.gz VMSGLGXHBCIXCT-UHFFFAOYSA-N 2 1 210.365 2.391 20 0 BEADMP F[C@@H]1CCC[N@@H+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256073614 970641474 /nfs/dbraw/zinc/64/14/74/970641474.db2.gz XJTITBCTUDNUBD-GFCCVEGCSA-N 2 1 240.366 2.437 20 0 BEADMP F[C@@H]1CCC[N@H+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256073614 970641480 /nfs/dbraw/zinc/64/14/80/970641480.db2.gz XJTITBCTUDNUBD-GFCCVEGCSA-N 2 1 240.366 2.437 20 0 BEADMP COc1cccc(C[C@@H](C)[N@@H+]2CCC[C@H]2CN)c1 ZINC001256149513 970676052 /nfs/dbraw/zinc/67/60/52/970676052.db2.gz OXXCMJUCQIUHJM-OCCSQVGLSA-N 2 1 248.370 2.049 20 0 BEADMP COc1cccc(C[C@@H](C)[N@H+]2CCC[C@H]2CN)c1 ZINC001256149513 970676056 /nfs/dbraw/zinc/67/60/56/970676056.db2.gz OXXCMJUCQIUHJM-OCCSQVGLSA-N 2 1 248.370 2.049 20 0 BEADMP COc1cccc(C[C@@H](C)[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC001256149513 970676061 /nfs/dbraw/zinc/67/60/61/970676061.db2.gz OXXCMJUCQIUHJM-OCCSQVGLSA-N 2 1 248.370 2.049 20 0 BEADMP COc1cccc(C[C@@H](C)[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC001256149513 970676065 /nfs/dbraw/zinc/67/60/65/970676065.db2.gz OXXCMJUCQIUHJM-OCCSQVGLSA-N 2 1 248.370 2.049 20 0 BEADMP CCc1ccc(CC[NH2+]C2CC[NH+](C)CC2)cc1 ZINC001256194464 970682501 /nfs/dbraw/zinc/68/25/01/970682501.db2.gz CAEXJOAYQFAZEL-UHFFFAOYSA-N 2 1 246.398 2.475 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC001256197798 970690492 /nfs/dbraw/zinc/69/04/92/970690492.db2.gz SLPDFVNOGXVMHS-LSDHHAIUSA-N 2 1 248.345 2.365 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2CCCc3ccncc32)CC1 ZINC001256201460 970694307 /nfs/dbraw/zinc/69/43/07/970694307.db2.gz DLJBZXGHYUCRQP-HNNXBMFYSA-N 2 1 245.370 2.143 20 0 BEADMP COc1ccc2c(c1)C[N@@H+](C1CCN(C)CC1)C2 ZINC001256207168 970709828 /nfs/dbraw/zinc/70/98/28/970709828.db2.gz ATNSCUBJIFYXDB-UHFFFAOYSA-N 2 1 246.354 2.105 20 0 BEADMP COc1ccc2c(c1)CN(C1CC[NH+](C)CC1)C2 ZINC001256207168 970709842 /nfs/dbraw/zinc/70/98/42/970709842.db2.gz ATNSCUBJIFYXDB-UHFFFAOYSA-N 2 1 246.354 2.105 20 0 BEADMP CN1CCC([N@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC001256207219 970712028 /nfs/dbraw/zinc/71/20/28/970712028.db2.gz COHVNYLAQHRVNG-HNNXBMFYSA-N 2 1 245.370 2.313 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+]Cc1cnc(Cl)c(C)c1 ZINC001327416115 972570256 /nfs/dbraw/zinc/57/02/56/972570256.db2.gz ODGRXPUNZBWHKD-SNVBAGLBSA-N 2 1 241.766 2.131 20 0 BEADMP [NH3+][C@H]1CCC[N@H+]([C@H]2Cc3cccc(F)c3C2)CC1 ZINC001246543003 972586204 /nfs/dbraw/zinc/58/62/04/972586204.db2.gz QWZBYFANCUUZIX-STQMWFEESA-N 2 1 248.345 2.106 20 0 BEADMP COC1CCC([N@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246553390 972750723 /nfs/dbraw/zinc/75/07/23/972750723.db2.gz RKBGGVAEFGIRAT-JXQTWKCFSA-N 2 1 240.391 2.147 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC001327839351 972755698 /nfs/dbraw/zinc/75/56/98/972755698.db2.gz GTPOHZZHHIWSLN-NXEZZACHSA-N 2 1 241.766 2.241 20 0 BEADMP C[C@@H]1CC[N@H+](C2CCSCC2)CC[C@@H]1C[NH3+] ZINC001246557252 972773565 /nfs/dbraw/zinc/77/35/65/972773565.db2.gz KFXFTQMWIMDWRS-VXGBXAGGSA-N 2 1 242.432 2.189 20 0 BEADMP CCC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246562890 972788343 /nfs/dbraw/zinc/78/83/43/972788343.db2.gz BQVAXCISEYNAQT-RWMBFGLXSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@]1(F)CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246566875 972817259 /nfs/dbraw/zinc/81/72/59/972817259.db2.gz JPPVJRGKQQRRDS-PIGZVRMJSA-N 2 1 240.366 2.484 20 0 BEADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@H]2CCCOCC2)CC1 ZINC001246574618 972871471 /nfs/dbraw/zinc/87/14/71/972871471.db2.gz IIBSCVFZIZNWKB-UONOGXRCSA-N 2 1 240.391 2.006 20 0 BEADMP C1[C@@H]2C[C@@H]([N@H+]3CCC[C@@]34CCC[NH2+]C4)C[C@H]12 ZINC001246605945 973028086 /nfs/dbraw/zinc/02/80/86/973028086.db2.gz CZAMZKQOJJLUEE-XJFOESAGSA-N 2 1 220.360 2.003 20 0 BEADMP CCCC[C@H](CC(C)C)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246615329 973034318 /nfs/dbraw/zinc/03/43/18/973034318.db2.gz SDKPYTVPDQFSCP-CYBMUJFWSA-N 2 1 224.392 2.497 20 0 BEADMP COCC[C@@H]1CCCC[N@H+]1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246781007 973090240 /nfs/dbraw/zinc/09/02/40/973090240.db2.gz DBLNNVGKJGDULP-IHRRRGAJSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]1C[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])C[C@@H](C)C1 ZINC001246839066 973140989 /nfs/dbraw/zinc/14/09/89/973140989.db2.gz APYZHVUHTQJOEZ-LEYGVYNDSA-N 2 1 236.403 2.480 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]CC2(C)CC(F)(F)C2)C[NH2+]1 ZINC000720898765 973391358 /nfs/dbraw/zinc/39/13/58/973391358.db2.gz DNVDWKWNOJBLHI-UWVGGRQHSA-N 2 1 232.318 2.152 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CC2(C)CC(F)(F)C2)C[NH2+]1 ZINC000720898763 973393406 /nfs/dbraw/zinc/39/34/06/973393406.db2.gz DNVDWKWNOJBLHI-NXEZZACHSA-N 2 1 232.318 2.152 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CC2(C)CC(F)(F)C2)C[NH2+]1 ZINC000720898769 973393467 /nfs/dbraw/zinc/39/34/67/973393467.db2.gz DNVDWKWNOJBLHI-ZJUUUORDSA-N 2 1 232.318 2.152 20 0 BEADMP CCCC[C@@H](C)[N@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001246927753 973536866 /nfs/dbraw/zinc/53/68/66/973536866.db2.gz IAJQVYWOROSQFF-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP CCCC[C@@H](C)[N@@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001246927753 973536880 /nfs/dbraw/zinc/53/68/80/973536880.db2.gz IAJQVYWOROSQFF-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP CO[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000234803925 973768814 /nfs/dbraw/zinc/76/88/14/973768814.db2.gz DJTMFIULKBYUNY-MGPQQGTHSA-N 2 1 240.391 2.016 20 0 BEADMP CO[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000234803925 973768825 /nfs/dbraw/zinc/76/88/25/973768825.db2.gz DJTMFIULKBYUNY-MGPQQGTHSA-N 2 1 240.391 2.016 20 0 BEADMP Cc1cccc(N2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)[nH+]1 ZINC001276981210 973776327 /nfs/dbraw/zinc/77/63/27/973776327.db2.gz STKNHZASWBTYCQ-OKILXGFUSA-N 2 1 245.370 2.168 20 0 BEADMP Cc1cccc(N2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)[nH+]1 ZINC001276981210 973776332 /nfs/dbraw/zinc/77/63/32/973776332.db2.gz STKNHZASWBTYCQ-OKILXGFUSA-N 2 1 245.370 2.168 20 0 BEADMP COC(=[NH2+])c1cccc(NC[C@@H]2CCCC[NH2+]2)c1 ZINC001171333821 973857058 /nfs/dbraw/zinc/85/70/58/973857058.db2.gz FVQMCOHRTHJOLM-ZDUSSCGKSA-N 2 1 247.342 2.212 20 0 BEADMP CC/C=C\CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206153973 974319971 /nfs/dbraw/zinc/31/99/71/974319971.db2.gz FUWUTUIRSNEAOB-RRNNCXACSA-N 2 1 214.328 2.104 20 0 BEADMP CC/C=C\CC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206153973 974319977 /nfs/dbraw/zinc/31/99/77/974319977.db2.gz FUWUTUIRSNEAOB-RRNNCXACSA-N 2 1 214.328 2.104 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172101052 974329976 /nfs/dbraw/zinc/32/99/76/974329976.db2.gz WCUPNCZEXPWPDP-XHJNMGKDSA-N 2 1 222.376 2.247 20 0 BEADMP N[C@@H]1CC[N@@H+](CCC2CCCC2)CC[C@H]1F ZINC001206156906 974331555 /nfs/dbraw/zinc/33/15/55/974331555.db2.gz UFCPOKZPPHJIOO-CHWSQXEVSA-N 2 1 228.355 2.328 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](CCC2CCCC2)CC[C@H]1F ZINC001206156906 974331567 /nfs/dbraw/zinc/33/15/67/974331567.db2.gz UFCPOKZPPHJIOO-CHWSQXEVSA-N 2 1 228.355 2.328 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](CCC2CCCC2)CC[C@H]1F ZINC001206156906 974331574 /nfs/dbraw/zinc/33/15/74/974331574.db2.gz UFCPOKZPPHJIOO-CHWSQXEVSA-N 2 1 228.355 2.328 20 0 BEADMP C[C@@H]([NH3+])c1nccn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098429 974335756 /nfs/dbraw/zinc/33/57/56/974335756.db2.gz DWPHZWXIDWHONC-NDBYEHHHSA-N 2 1 248.374 2.091 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCC1)C2 ZINC001172099808 974346718 /nfs/dbraw/zinc/34/67/18/974346718.db2.gz KOCJQWZRCCCWFC-XYYAHUGASA-N 2 1 208.349 2.144 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCC1)C2 ZINC001172099808 974346722 /nfs/dbraw/zinc/34/67/22/974346722.db2.gz KOCJQWZRCCCWFC-XYYAHUGASA-N 2 1 208.349 2.144 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccoc1)C2 ZINC001172104774 974364572 /nfs/dbraw/zinc/36/45/72/974364572.db2.gz GAYPWFWSNCXZNH-ZSOGYDGISA-N 2 1 234.343 2.385 20 0 BEADMP CC(C)[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172112832 974372846 /nfs/dbraw/zinc/37/28/46/974372846.db2.gz FURZUVUFEZEWKP-CLLJXQQHSA-N 2 1 210.365 2.342 20 0 BEADMP CC(C)[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172112832 974372852 /nfs/dbraw/zinc/37/28/52/974372852.db2.gz FURZUVUFEZEWKP-CLLJXQQHSA-N 2 1 210.365 2.342 20 0 BEADMP CC(C)[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112832 974372864 /nfs/dbraw/zinc/37/28/64/974372864.db2.gz FURZUVUFEZEWKP-CLLJXQQHSA-N 2 1 210.365 2.342 20 0 BEADMP CC(C)[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112832 974372872 /nfs/dbraw/zinc/37/28/72/974372872.db2.gz FURZUVUFEZEWKP-CLLJXQQHSA-N 2 1 210.365 2.342 20 0 BEADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@@H]1F ZINC001172117370 974378606 /nfs/dbraw/zinc/37/86/06/974378606.db2.gz GMUVBRSUCUXINJ-DGTMBMJNSA-N 2 1 240.366 2.292 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@@H]1C1CC1)C2 ZINC001172113828 974379970 /nfs/dbraw/zinc/37/99/70/974379970.db2.gz MUPZERUVZABQLB-XLWJZTARSA-N 2 1 234.387 2.390 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@@H]1C1CC1)C2 ZINC001172113828 974379978 /nfs/dbraw/zinc/37/99/78/974379978.db2.gz MUPZERUVZABQLB-XLWJZTARSA-N 2 1 234.387 2.390 20 0 BEADMP CC[C@H](COC)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115204 974381366 /nfs/dbraw/zinc/38/13/66/974381366.db2.gz RZPJPGUREFEPIF-YIYPIFLZSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@H](COC)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115204 974381374 /nfs/dbraw/zinc/38/13/74/974381374.db2.gz RZPJPGUREFEPIF-YIYPIFLZSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@H]1CC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121712 974389989 /nfs/dbraw/zinc/38/99/89/974389989.db2.gz SXQTXKMLKDJGFG-WUHRBBMRSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@H]1CC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121712 974390002 /nfs/dbraw/zinc/39/00/02/974390002.db2.gz SXQTXKMLKDJGFG-WUHRBBMRSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@H]1CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121712 974390012 /nfs/dbraw/zinc/39/00/12/974390012.db2.gz SXQTXKMLKDJGFG-WUHRBBMRSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@H]1CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121712 974390019 /nfs/dbraw/zinc/39/00/19/974390019.db2.gz SXQTXKMLKDJGFG-WUHRBBMRSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172122072 974391270 /nfs/dbraw/zinc/39/12/70/974391270.db2.gz WLSKMFRFNQGOEX-YIYPIFLZSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172122072 974391275 /nfs/dbraw/zinc/39/12/75/974391275.db2.gz WLSKMFRFNQGOEX-YIYPIFLZSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172122072 974391285 /nfs/dbraw/zinc/39/12/85/974391285.db2.gz WLSKMFRFNQGOEX-YIYPIFLZSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172122072 974391293 /nfs/dbraw/zinc/39/12/93/974391293.db2.gz WLSKMFRFNQGOEX-YIYPIFLZSA-N 2 1 222.376 2.344 20 0 BEADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1COC(C)(C)C1 ZINC001172269557 974486974 /nfs/dbraw/zinc/48/69/74/974486974.db2.gz FWVWHTDCBWWGOJ-CYBMUJFWSA-N 2 1 242.407 2.266 20 0 BEADMP Cc1csc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206163805 974512913 /nfs/dbraw/zinc/51/29/13/974512913.db2.gz GCTDDVXZXGKPLO-NWDGAFQWSA-N 2 1 242.363 2.318 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001172315675 974520935 /nfs/dbraw/zinc/52/09/35/974520935.db2.gz CLAYFPBLKAVOLF-IHRRRGAJSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@@H](C)OCC[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC001172317885 974525223 /nfs/dbraw/zinc/52/52/23/974525223.db2.gz VXMAZMDESUPGMM-CHWSQXEVSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC001172318293 974527959 /nfs/dbraw/zinc/52/79/59/974527959.db2.gz IMHUZSOQJNEGRM-RWMBFGLXSA-N 2 1 228.380 2.003 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC001172318293 974527963 /nfs/dbraw/zinc/52/79/63/974527963.db2.gz IMHUZSOQJNEGRM-RWMBFGLXSA-N 2 1 228.380 2.003 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C[C@@H]1C ZINC001172380127 974586871 /nfs/dbraw/zinc/58/68/71/974586871.db2.gz RHQBLNLGDJNJDQ-SEBNEYGDSA-N 2 1 236.403 2.305 20 0 BEADMP C[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C[C@@H]1C ZINC001172380127 974586876 /nfs/dbraw/zinc/58/68/76/974586876.db2.gz RHQBLNLGDJNJDQ-SEBNEYGDSA-N 2 1 236.403 2.305 20 0 BEADMP C[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C[C@@H]1C ZINC001172380127 974586887 /nfs/dbraw/zinc/58/68/87/974586887.db2.gz RHQBLNLGDJNJDQ-SEBNEYGDSA-N 2 1 236.403 2.305 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)oc1C ZINC001206164073 974629271 /nfs/dbraw/zinc/62/92/71/974629271.db2.gz JEWVGTOMJNUZKN-CHWSQXEVSA-N 2 1 240.322 2.158 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)oc1C ZINC001206164073 974629276 /nfs/dbraw/zinc/62/92/76/974629276.db2.gz JEWVGTOMJNUZKN-CHWSQXEVSA-N 2 1 240.322 2.158 20 0 BEADMP CCOCC[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001172413241 974681076 /nfs/dbraw/zinc/68/10/76/974681076.db2.gz ZVXQHMWCQWJKGO-GFCCVEGCSA-N 2 1 240.391 2.018 20 0 BEADMP CCOCC[C@@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001172425071 974700203 /nfs/dbraw/zinc/70/02/03/974700203.db2.gz STGFYTBOHUPQGI-CYBMUJFWSA-N 2 1 242.407 2.075 20 0 BEADMP CCOCC[C@@H](C)[N@@H+](CC)C1CCN(C)CC1 ZINC001172426511 974704578 /nfs/dbraw/zinc/70/45/78/974704578.db2.gz YPNSUPVVOCGTHF-CYBMUJFWSA-N 2 1 242.407 2.218 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+]Cc1nccc2ccccc21 ZINC001331419297 974712990 /nfs/dbraw/zinc/71/29/90/974712990.db2.gz PTYAYLVETVUNNF-LBPRGKRZSA-N 2 1 243.354 2.322 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+]Cc1nccc2ccccc21 ZINC001331419296 974714100 /nfs/dbraw/zinc/71/41/00/974714100.db2.gz PTYAYLVETVUNNF-GFCCVEGCSA-N 2 1 243.354 2.322 20 0 BEADMP CC(C)OCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001172439080 974794599 /nfs/dbraw/zinc/79/45/99/974794599.db2.gz XSMKMYPTGNXKDR-KBPBESRZSA-N 2 1 242.407 2.121 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccccc1OC ZINC001331832640 974830342 /nfs/dbraw/zinc/83/03/42/974830342.db2.gz GAVVLSCUZWGNRK-RYUDHWBXSA-N 2 1 236.359 2.344 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C[C@H]3CC=CCC3)[C@@H]2C1 ZINC001204089638 974878010 /nfs/dbraw/zinc/87/80/10/974878010.db2.gz PUGZMSHURQBHBW-XQLPTFJDSA-N 2 1 234.387 2.273 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCC[C@H](OC)C1 ZINC001172951534 975006341 /nfs/dbraw/zinc/00/63/41/975006341.db2.gz RGOGUERIASWQJG-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP [NH3+][C@@H]1C[C@H]1[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173201310 975057816 /nfs/dbraw/zinc/05/78/16/975057816.db2.gz XHOGOHIEGKUTFB-UZVIJOLCSA-N 2 1 246.354 2.066 20 0 BEADMP CCCC[C@H](CC(C)C)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001173251036 975089678 /nfs/dbraw/zinc/08/96/78/975089678.db2.gz YDRWUODHYCFCPD-KGLIPLIRSA-N 2 1 242.407 2.251 20 0 BEADMP CC[C@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001173262394 975117480 /nfs/dbraw/zinc/11/74/80/975117480.db2.gz GOVANNKDETXSBV-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP CCc1ccc(C[C@H](C)[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001173237541 975160161 /nfs/dbraw/zinc/16/01/61/975160161.db2.gz HZSRTULDRSVKQK-WFASDCNBSA-N 2 1 232.371 2.213 20 0 BEADMP CCc1ccc(C[C@H](C)[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001173237541 975160174 /nfs/dbraw/zinc/16/01/74/975160174.db2.gz HZSRTULDRSVKQK-WFASDCNBSA-N 2 1 232.371 2.213 20 0 BEADMP CC[N@H+]1CC[C@H](n2ccc3cccc(C[NH3+])c32)C1 ZINC001173356504 975317513 /nfs/dbraw/zinc/31/75/13/975317513.db2.gz DLTPIVQJKSDUKU-AWEZNQCLSA-N 2 1 243.354 2.367 20 0 BEADMP Cc1cc(C[NH2+][C@](C)(C[NH3+])C2CC2)cs1 ZINC001333159860 975519287 /nfs/dbraw/zinc/51/92/87/975519287.db2.gz AIFOKWAOKVLAQN-GFCCVEGCSA-N 2 1 224.373 2.274 20 0 BEADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC001333529760 975834903 /nfs/dbraw/zinc/83/49/03/975834903.db2.gz QWICAXAWCMFCLG-DAXOMENPSA-N 2 1 248.414 2.497 20 0 BEADMP Cc1cc(OCCCc2c[nH+]cn2C)cc(C)[nH+]1 ZINC001334801322 976690285 /nfs/dbraw/zinc/69/02/85/976690285.db2.gz ZZXVWOFSSSXLIN-UHFFFAOYSA-N 2 1 245.326 2.444 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1 ZINC001335253652 976905370 /nfs/dbraw/zinc/90/53/70/976905370.db2.gz UWUNLHDDTUZTKL-CQSZACIVSA-N 2 1 232.371 2.268 20 0 BEADMP CC[NH+]1CC(Oc2cccc([C@@H](C)[NH+](C)C)c2)C1 ZINC001229618936 976911313 /nfs/dbraw/zinc/91/13/13/976911313.db2.gz DGCRSKGRXJNCMI-GFCCVEGCSA-N 2 1 248.370 2.392 20 0 BEADMP COc1cc(Nc2cc[nH+]c(C)c2)[nH+]cc1C ZINC001174654984 976942766 /nfs/dbraw/zinc/94/27/66/976942766.db2.gz ROXXLXSFYYIIQU-UHFFFAOYSA-N 2 1 229.283 2.268 20 0 BEADMP CCC[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429015169 976981489 /nfs/dbraw/zinc/98/14/89/976981489.db2.gz XGDYMJUCCIUBIY-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+](C)Cc1cccc(NC2=CCC[N@@H+](C)C2)c1 ZINC001175576791 977585428 /nfs/dbraw/zinc/58/54/28/977585428.db2.gz TYFJYQHWXDGUHY-UHFFFAOYSA-N 2 1 245.370 2.380 20 0 BEADMP CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC001336269196 977606624 /nfs/dbraw/zinc/60/66/24/977606624.db2.gz ARZFNGLXIWYOLV-VGPLMAKISA-N 2 1 220.360 2.286 20 0 BEADMP Cc1ccc(F)c(CC[NH2+][C@H]2CCCNC2)c1 ZINC001574155139 1170024968 /nfs/dbraw/zinc/02/49/68/1170024968.db2.gz SDRLJJFQLPFJMZ-ZDUSSCGKSA-N 2 1 236.334 2.018 20 0 BEADMP c1c(C[NH+]2CC3(CSC3)C2)[nH]c2cc[nH+]cc12 ZINC001232018428 977846489 /nfs/dbraw/zinc/84/64/89/977846489.db2.gz KZNVATOONCIJCP-UHFFFAOYSA-N 2 1 245.351 2.112 20 0 BEADMP Cc1cccc2[nH+]cc(Nc3[nH]cc[nH+]3)n21 ZINC001176082450 977879512 /nfs/dbraw/zinc/87/95/12/977879512.db2.gz KWBUPEBGDJRWST-UHFFFAOYSA-N 2 1 213.244 2.109 20 0 BEADMP C[N@H+]1CCCC12CCN(c1cc[nH+]cc1)CC2 ZINC001336909368 978047587 /nfs/dbraw/zinc/04/75/87/978047587.db2.gz NNSJIGIRYZNPKQ-UHFFFAOYSA-N 2 1 231.343 2.146 20 0 BEADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCC(F)(F)F)CC1 ZINC001206293145 978292303 /nfs/dbraw/zinc/29/23/03/978292303.db2.gz GJXATGNLIXMBKE-SNVBAGLBSA-N 2 1 238.297 2.390 20 0 BEADMP Cc1cc(F)cc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)n1 ZINC001337431700 978335420 /nfs/dbraw/zinc/33/54/20/978335420.db2.gz LURLWJIBIUMBAM-CYZMBNFOSA-N 2 1 249.333 2.281 20 0 BEADMP C[N@H+](Cc1cc2ccccc2[nH]1)C[C@H]1C[C@@H]([NH3+])C1 ZINC001337837559 978519699 /nfs/dbraw/zinc/51/96/99/978519699.db2.gz CGWBETWOYIOYNS-BJHJDKERSA-N 2 1 243.354 2.337 20 0 BEADMP CCc1cccc(C)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234979399 978942487 /nfs/dbraw/zinc/94/24/87/978942487.db2.gz FGCDPWQDIYYIPP-GASCZTMLSA-N 2 1 244.382 2.209 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CC[C@]3(CC[NH2+]3)C2)CC1 ZINC001235062685 978967043 /nfs/dbraw/zinc/96/70/43/978967043.db2.gz BTCKIVOANMOZEJ-RRFJBIMHSA-N 2 1 234.387 2.417 20 0 BEADMP CS[C@H](C)CC[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235120397 978979606 /nfs/dbraw/zinc/97/96/06/978979606.db2.gz AMTLETVRWAFACP-CHWSQXEVSA-N 2 1 242.432 2.346 20 0 BEADMP CS[C@H](C)CC[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235120397 978979608 /nfs/dbraw/zinc/97/96/08/978979608.db2.gz AMTLETVRWAFACP-CHWSQXEVSA-N 2 1 242.432 2.346 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001235189213 978993755 /nfs/dbraw/zinc/99/37/55/978993755.db2.gz XSGUAPZLSMQTMR-ZQDZILKHSA-N 2 1 234.387 2.273 20 0 BEADMP CC(C)=CCC[C@H](C)C[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001235211077 978996360 /nfs/dbraw/zinc/99/63/60/978996360.db2.gz UGLNMQLGIGRNLH-IGQOVBAYSA-N 2 1 222.376 2.258 20 0 BEADMP CC(C)=CCC[C@@H](C)C[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001235211078 978996793 /nfs/dbraw/zinc/99/67/93/978996793.db2.gz UGLNMQLGIGRNLH-MQYQWHSLSA-N 2 1 222.376 2.258 20 0 BEADMP c1coc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)n1 ZINC001235226611 979000228 /nfs/dbraw/zinc/00/02/28/979000228.db2.gz CWVURLOIDIXSDO-CYBMUJFWSA-N 2 1 249.358 2.029 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC001235236244 979002259 /nfs/dbraw/zinc/00/22/59/979002259.db2.gz VWBYIUXOKAPWBI-YJNKXOJESA-N 2 1 234.387 2.415 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC001235236244 979002265 /nfs/dbraw/zinc/00/22/65/979002265.db2.gz VWBYIUXOKAPWBI-YJNKXOJESA-N 2 1 234.387 2.415 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2C[C@@H]3C[NH2+]CC[C@H]32)cc1C ZINC001235255990 979009344 /nfs/dbraw/zinc/00/93/44/979009344.db2.gz DXJRUWSRRVHUFF-JKSUJKDBSA-N 2 1 244.382 2.406 20 0 BEADMP Cc1cc(C)c(C[N@H+]2C[C@@H]3C[NH2+]CC[C@H]32)cc1C ZINC001235255990 979009350 /nfs/dbraw/zinc/00/93/50/979009350.db2.gz DXJRUWSRRVHUFF-JKSUJKDBSA-N 2 1 244.382 2.406 20 0 BEADMP Cc1ccccc1O[C@@H]1CC[N@@H+](CCCC[NH3+])C1 ZINC001235675023 979113297 /nfs/dbraw/zinc/11/32/97/979113297.db2.gz MRIHHIAMNWVUNX-CQSZACIVSA-N 2 1 248.370 2.187 20 0 BEADMP [NH3+]CCCC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001235713441 979128057 /nfs/dbraw/zinc/12/80/57/979128057.db2.gz AHDANAPFQMAREO-OAHLLOKOSA-N 2 1 232.371 2.290 20 0 BEADMP CC/C=C\CCC[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235711154 979129710 /nfs/dbraw/zinc/12/97/10/979129710.db2.gz KQWWZWKLEMXQJU-ARJAWSKDSA-N 2 1 222.376 2.418 20 0 BEADMP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1cccc2c1CCC2 ZINC001235891785 979183389 /nfs/dbraw/zinc/18/33/89/979183389.db2.gz IVLOOGZQBYSTNW-IUODEOHRSA-N 2 1 244.382 2.487 20 0 BEADMP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1cccc2c1CCC2 ZINC001235891785 979183398 /nfs/dbraw/zinc/18/33/98/979183398.db2.gz IVLOOGZQBYSTNW-IUODEOHRSA-N 2 1 244.382 2.487 20 0 BEADMP [NH3+]CCCC[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001235934257 979210211 /nfs/dbraw/zinc/21/02/11/979210211.db2.gz KVOAVJUMGKAORW-CYBMUJFWSA-N 2 1 236.334 2.354 20 0 BEADMP C(CC1CCCC1)C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235929329 979213188 /nfs/dbraw/zinc/21/31/88/979213188.db2.gz MCKSDXMAFQAWIU-CABCVRRESA-N 2 1 236.403 2.498 20 0 BEADMP CC1(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)CCCCC1 ZINC001235929044 979213726 /nfs/dbraw/zinc/21/37/26/979213726.db2.gz GMTWGVKMPSBEQV-KGLIPLIRSA-N 2 1 236.403 2.498 20 0 BEADMP CC(C)[N@H+](CC[NH3+])Cc1ccc2c(c1)CCCN2 ZINC001235946946 979216212 /nfs/dbraw/zinc/21/62/12/979216212.db2.gz DZAFPSKFTBLYPX-UHFFFAOYSA-N 2 1 247.386 2.214 20 0 BEADMP CC(C)[N@@H+](CC[NH3+])Cc1ccc2c(c1)CCCN2 ZINC001235946946 979216226 /nfs/dbraw/zinc/21/62/26/979216226.db2.gz DZAFPSKFTBLYPX-UHFFFAOYSA-N 2 1 247.386 2.214 20 0 BEADMP C[N@@H+](CC[C@@H]1CCCC[NH2+]1)C[C@@H]1CC1(C)C ZINC001235959557 979224077 /nfs/dbraw/zinc/22/40/77/979224077.db2.gz YRUHZIIAFDIEPQ-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP CCC[N@@H+](CCCC[NH3+])CCc1ccccn1 ZINC001235961250 979236292 /nfs/dbraw/zinc/23/62/92/979236292.db2.gz CIGBUFIRYLATNA-UHFFFAOYSA-N 2 1 235.375 2.075 20 0 BEADMP CC(C)=CCC[C@H](C)C[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236014123 979298963 /nfs/dbraw/zinc/29/89/63/979298963.db2.gz FKPWYHBNNXBDCW-BFHYXJOUSA-N 2 1 222.376 2.402 20 0 BEADMP CC(C)=CCC[C@H](C)C[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236014123 979298973 /nfs/dbraw/zinc/29/89/73/979298973.db2.gz FKPWYHBNNXBDCW-BFHYXJOUSA-N 2 1 222.376 2.402 20 0 BEADMP CC/C=C\CCC[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC001236043962 979332889 /nfs/dbraw/zinc/33/28/89/979332889.db2.gz HBNDFKIVQOTBMG-DIABFLQPSA-N 2 1 210.365 2.402 20 0 BEADMP CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001236165936 979417663 /nfs/dbraw/zinc/41/76/63/979417663.db2.gz BRKYEWJMJASKIH-QWHCGFSZSA-N 2 1 210.365 2.402 20 0 BEADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001236165936 979417669 /nfs/dbraw/zinc/41/76/69/979417669.db2.gz BRKYEWJMJASKIH-QWHCGFSZSA-N 2 1 210.365 2.402 20 0 BEADMP CC(C)(C)CC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314522 979523444 /nfs/dbraw/zinc/52/34/44/979523444.db2.gz PREULPGMXCTSEG-BETUJISGSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccco2)C1 ZINC001206541511 979641528 /nfs/dbraw/zinc/64/15/28/979641528.db2.gz IDCBBULVIDIZOO-CYBMUJFWSA-N 2 1 222.332 2.231 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206542135 979650369 /nfs/dbraw/zinc/65/03/69/979650369.db2.gz SEOUNJNWKIDIHM-UPJWGTAASA-N 2 1 210.365 2.093 20 0 BEADMP Cc1cccc2[nH+]cc(Nc3cc[nH+]c(N)c3)n21 ZINC001206542736 979662198 /nfs/dbraw/zinc/66/21/98/979662198.db2.gz GMNLTTWFOJQBJI-UHFFFAOYSA-N 2 1 239.282 2.364 20 0 BEADMP C[C@H]([NH3+])C[N@H+](C)CCCc1ccccc1F ZINC001236883413 979776096 /nfs/dbraw/zinc/77/60/96/979776096.db2.gz GCDXWUSVHZKGRN-NSHDSACASA-N 2 1 224.323 2.037 20 0 BEADMP C[C@H]([NH3+])C[N@@H+](C)CCCc1ccccc1F ZINC001236883413 979776100 /nfs/dbraw/zinc/77/61/00/979776100.db2.gz GCDXWUSVHZKGRN-NSHDSACASA-N 2 1 224.323 2.037 20 0 BEADMP [NH3+]CC[N@@H+]1CCC[C@@H](CCc2ccccc2)C1 ZINC001236951241 979796941 /nfs/dbraw/zinc/79/69/41/979796941.db2.gz WIBZLWBGDUHLIO-HNNXBMFYSA-N 2 1 232.371 2.290 20 0 BEADMP [NH3+]CC[N@H+]1CCC[C@@H](CCc2ccccc2)C1 ZINC001236951241 979796948 /nfs/dbraw/zinc/79/69/48/979796948.db2.gz WIBZLWBGDUHLIO-HNNXBMFYSA-N 2 1 232.371 2.290 20 0 BEADMP COc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205265168 979821633 /nfs/dbraw/zinc/82/16/33/979821633.db2.gz OAGLBVPCJSDTEP-HNNXBMFYSA-N 2 1 248.370 2.399 20 0 BEADMP Cc1c[nH]c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1C ZINC001205273674 979837903 /nfs/dbraw/zinc/83/79/03/979837903.db2.gz OGIZQSACSGNWLG-AWEZNQCLSA-N 2 1 235.375 2.335 20 0 BEADMP CC/C=C\CC[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237383827 979882605 /nfs/dbraw/zinc/88/26/05/979882605.db2.gz RXDIWUPAWYNBBQ-JHZNUDOXSA-N 2 1 222.376 2.417 20 0 BEADMP CC/C=C\CC[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237383827 979882609 /nfs/dbraw/zinc/88/26/09/979882609.db2.gz RXDIWUPAWYNBBQ-JHZNUDOXSA-N 2 1 222.376 2.417 20 0 BEADMP CCNc1ccccc1C[NH2+]CCC[NH+]1CCC1 ZINC001345098099 980547935 /nfs/dbraw/zinc/54/79/35/980547935.db2.gz QWJNRBGHIGKYCK-UHFFFAOYSA-N 2 1 247.386 2.304 20 0 BEADMP C[C@H]1CC[N@@H+](CCC2CC2)CC[C@@H]1C[NH3+] ZINC001205600447 981154455 /nfs/dbraw/zinc/15/44/55/981154455.db2.gz BSVWGBBXAWSABE-WCQYABFASA-N 2 1 210.365 2.093 20 0 BEADMP C[C@H](CNc1cc[nH+]cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001347773104 981169738 /nfs/dbraw/zinc/16/97/38/981169738.db2.gz UBXIWHSLLFJHHY-CHWSQXEVSA-N 2 1 233.359 2.036 20 0 BEADMP Cc1cccnc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205603992 981174020 /nfs/dbraw/zinc/17/40/20/981174020.db2.gz SXSIKGFAADBTGI-TZMCWYRMSA-N 2 1 247.386 2.197 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)o1 ZINC001205604820 981180385 /nfs/dbraw/zinc/18/03/85/981180385.db2.gz XUUMHOKJVIUUML-WCQYABFASA-N 2 1 236.359 2.395 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1sccc1OC ZINC001348854217 981460823 /nfs/dbraw/zinc/46/08/23/981460823.db2.gz YUHSFAGRWHSMRI-UWVGGRQHSA-N 2 1 242.388 2.405 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)CC(C)(C)C ZINC000336685948 982050681 /nfs/dbraw/zinc/05/06/81/982050681.db2.gz LJLVDBAMGZHLAR-UHFFFAOYSA-N 2 1 200.370 2.306 20 0 BEADMP Nc1cc(-c2ccc3c(c2)[C@@H]([NH3+])CC3)cc[nH+]1 ZINC001241175424 982324251 /nfs/dbraw/zinc/32/42/51/982324251.db2.gz BDTWQIAIUPEUIJ-ZDUSSCGKSA-N 2 1 225.295 2.277 20 0 BEADMP CC(C)C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001352113659 982473768 /nfs/dbraw/zinc/47/37/68/982473768.db2.gz TUJRLEINIGBMQF-MELADBBJSA-N 2 1 224.392 2.305 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001352110512 982474039 /nfs/dbraw/zinc/47/40/39/982474039.db2.gz COIRXVSKMMVWBF-SEBNEYGDSA-N 2 1 236.403 2.305 20 0 BEADMP C[NH+](C)Cc1ccccc1C1=CC[N@@H+](C)CC1 ZINC001241318074 982477047 /nfs/dbraw/zinc/47/70/47/982477047.db2.gz WWDGBIWJZGBVJP-UHFFFAOYSA-N 2 1 230.355 2.467 20 0 BEADMP C[NH+](C)[C@@H](C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)C1CC1 ZINC001199420522 982924475 /nfs/dbraw/zinc/92/44/75/982924475.db2.gz NGKAROALTBFLLJ-MXYBEHONSA-N 2 1 236.403 2.495 20 0 BEADMP c1csc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037408330 982940422 /nfs/dbraw/zinc/94/04/22/982940422.db2.gz VJDJVKPNJQLTSI-NSHDSACASA-N 2 1 236.384 2.322 20 0 BEADMP Fc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037408211 982941029 /nfs/dbraw/zinc/94/10/29/982941029.db2.gz INAOTRDGMAUPPL-CYBMUJFWSA-N 2 1 248.345 2.400 20 0 BEADMP c1cn2c(n1)CC[N@@H+](C[C@@H]1CC=CCC1)CC2 ZINC001201423945 983224209 /nfs/dbraw/zinc/22/42/09/983224209.db2.gz YEYDDTZUSBMVEQ-CYBMUJFWSA-N 2 1 231.343 2.098 20 0 BEADMP c1cn2c([nH+]1)CC[N@H+](C[C@@H]1CC=CCC1)CC2 ZINC001201423945 983224216 /nfs/dbraw/zinc/22/42/16/983224216.db2.gz YEYDDTZUSBMVEQ-CYBMUJFWSA-N 2 1 231.343 2.098 20 0 BEADMP c1cn2c([nH+]1)CC[N@@H+](C[C@@H]1CC=CCC1)CC2 ZINC001201423945 983224220 /nfs/dbraw/zinc/22/42/20/983224220.db2.gz YEYDDTZUSBMVEQ-CYBMUJFWSA-N 2 1 231.343 2.098 20 0 BEADMP CC[N@@H+](C)C1CC[NH+](CC(C)(C)C)CC1 ZINC001201446250 983250189 /nfs/dbraw/zinc/25/01/89/983250189.db2.gz ATPBLFKNTZRXGC-UHFFFAOYSA-N 2 1 212.381 2.449 20 0 BEADMP CC(C)C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001201471864 983282780 /nfs/dbraw/zinc/28/27/80/983282780.db2.gz ZHKKWWVYCMFLGS-UHFFFAOYSA-N 2 1 222.376 2.060 20 0 BEADMP CC(C)C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001201471864 983282785 /nfs/dbraw/zinc/28/27/85/983282785.db2.gz ZHKKWWVYCMFLGS-UHFFFAOYSA-N 2 1 222.376 2.060 20 0 BEADMP CCC(CC)C[N@H+](C)C1CC[NH+](C)CC1 ZINC001201521629 983318497 /nfs/dbraw/zinc/31/84/97/983318497.db2.gz WQGLHSWJEQJYQS-UHFFFAOYSA-N 2 1 212.381 2.449 20 0 BEADMP CCC(CC)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001201521629 983318503 /nfs/dbraw/zinc/31/85/03/983318503.db2.gz WQGLHSWJEQJYQS-UHFFFAOYSA-N 2 1 212.381 2.449 20 0 BEADMP Cc1cc(N)[nH+]cc1-c1ccc([C@H](C)[NH3+])nc1 ZINC001242096337 983339357 /nfs/dbraw/zinc/33/93/57/983339357.db2.gz IDQXYVORAFFAEC-VIFPVBQESA-N 2 1 228.299 2.054 20 0 BEADMP CCC[N@@H+]1C[C@@H]2C[NH+](CCCSC)C[C@@H]2C1 ZINC001201697877 983413546 /nfs/dbraw/zinc/41/35/46/983413546.db2.gz RYEJOWLTQPRQJM-BETUJISGSA-N 2 1 242.432 2.013 20 0 BEADMP CCC[NH+]1C[C@@H]2C[N@@H+](CCCSC)C[C@@H]2C1 ZINC001201697877 983413552 /nfs/dbraw/zinc/41/35/52/983413552.db2.gz RYEJOWLTQPRQJM-BETUJISGSA-N 2 1 242.432 2.013 20 0 BEADMP CCC[NH+]1C[C@@H]2C[N@H+](CCCSC)C[C@@H]2C1 ZINC001201697877 983413557 /nfs/dbraw/zinc/41/35/57/983413557.db2.gz RYEJOWLTQPRQJM-BETUJISGSA-N 2 1 242.432 2.013 20 0 BEADMP CCCCC[N@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001201737328 983444851 /nfs/dbraw/zinc/44/48/51/983444851.db2.gz IQEHDCHAHXTDRX-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP CCCCC[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001201743954 983450541 /nfs/dbraw/zinc/45/05/41/983450541.db2.gz AZLAMSKOZHQDJD-OKILXGFUSA-N 2 1 224.392 2.450 20 0 BEADMP CCCCC[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1 ZINC001201743954 983450548 /nfs/dbraw/zinc/45/05/48/983450548.db2.gz AZLAMSKOZHQDJD-OKILXGFUSA-N 2 1 224.392 2.450 20 0 BEADMP CCCCC[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001201743954 983450556 /nfs/dbraw/zinc/45/05/56/983450556.db2.gz AZLAMSKOZHQDJD-OKILXGFUSA-N 2 1 224.392 2.450 20 0 BEADMP CC[N@@H+](CC1CC[NH+](C)CC1)C(C)(C)C ZINC001355321097 983469733 /nfs/dbraw/zinc/46/97/33/983469733.db2.gz HWLUZYIMCHZVEQ-UHFFFAOYSA-N 2 1 212.381 2.449 20 0 BEADMP CCC[C@@H](O)C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001252799432 983894984 /nfs/dbraw/zinc/89/49/84/983894984.db2.gz RUVOTADGHHSVMH-ZIAGYGMSSA-N 2 1 242.407 2.002 20 0 BEADMP C[NH2+][C@@H]1CC[N@@H+](C2CCC(C(C)C)CC2)C1 ZINC000150046933 983964083 /nfs/dbraw/zinc/96/40/83/983964083.db2.gz JDGWUIAVNNJHCJ-ROKHWSDSSA-N 2 1 224.392 2.495 20 0 BEADMP C[NH2+][C@@H]1CC[N@H+](C2CCC(C(C)C)CC2)C1 ZINC000150046933 983964092 /nfs/dbraw/zinc/96/40/92/983964092.db2.gz JDGWUIAVNNJHCJ-ROKHWSDSSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000339211248 984023064 /nfs/dbraw/zinc/02/30/64/984023064.db2.gz GUJCFSZJSRVAHS-MGPQQGTHSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1CC[C@@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000339211248 984023077 /nfs/dbraw/zinc/02/30/77/984023077.db2.gz GUJCFSZJSRVAHS-MGPQQGTHSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1CC[C@@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000339211248 984023087 /nfs/dbraw/zinc/02/30/87/984023087.db2.gz GUJCFSZJSRVAHS-MGPQQGTHSA-N 2 1 222.376 2.203 20 0 BEADMP CCC[C@H](C[N@@H+](CCC)C1CC[NH2+]CC1)OC ZINC001577357751 984192665 /nfs/dbraw/zinc/19/26/65/984192665.db2.gz IWXZAPRTDCWLEA-CQSZACIVSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@H]1C[N@@H+](CC2CCC2)CCC[C@@H]1C[NH3+] ZINC001205983888 984214416 /nfs/dbraw/zinc/21/44/16/984214416.db2.gz PVOLCLPQHRVRIP-WCQYABFASA-N 2 1 210.365 2.093 20 0 BEADMP C[N@@H+]1CCC2(C[NH+](CCC(C)(C)C)C2)C1 ZINC001275151927 984507412 /nfs/dbraw/zinc/50/74/12/984507412.db2.gz VVTAYFBRNRLOFR-UHFFFAOYSA-N 2 1 210.365 2.060 20 0 BEADMP C[N@H+]1CCC2(C[NH+](CCC(C)(C)C)C2)C1 ZINC001275151927 984507424 /nfs/dbraw/zinc/50/74/24/984507424.db2.gz VVTAYFBRNRLOFR-UHFFFAOYSA-N 2 1 210.365 2.060 20 0 BEADMP CC(C)CC[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001275096809 984483883 /nfs/dbraw/zinc/48/38/83/984483883.db2.gz TXRLFVNVRQWDAA-UHFFFAOYSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH+]1CCC[C@]2(CCC[N@H+](CC3CC3)C2)C1 ZINC001275136902 984503783 /nfs/dbraw/zinc/50/37/83/984503783.db2.gz FIKHOBNWZWVLRK-AWEZNQCLSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CCC[C@]2(CCC[N@@H+](CC3CC3)C2)C1 ZINC001275136902 984503794 /nfs/dbraw/zinc/50/37/94/984503794.db2.gz FIKHOBNWZWVLRK-AWEZNQCLSA-N 2 1 222.376 2.204 20 0 BEADMP C[N@H+]1CCCC[C@H]1c1ccc(C2=CC[NH2+]C2)nc1 ZINC001243108274 984555815 /nfs/dbraw/zinc/55/58/15/984555815.db2.gz NYLJPWKBALKAOS-HNNXBMFYSA-N 2 1 243.354 2.225 20 0 BEADMP C[N@H+]1CC[C@@H](c2ccc(C3=CC[NH2+]C3)cc2)C1 ZINC001243115484 984587832 /nfs/dbraw/zinc/58/78/32/984587832.db2.gz MGEYQZHAPMWCQZ-OAHLLOKOSA-N 2 1 228.339 2.092 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001276032787 984790455 /nfs/dbraw/zinc/79/04/55/984790455.db2.gz LNLFTYNRKVMFDL-RBSFLKMASA-N 2 1 236.403 2.450 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001276032787 984790464 /nfs/dbraw/zinc/79/04/64/984790464.db2.gz LNLFTYNRKVMFDL-RBSFLKMASA-N 2 1 236.403 2.450 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001276032787 984790478 /nfs/dbraw/zinc/79/04/78/984790478.db2.gz LNLFTYNRKVMFDL-RBSFLKMASA-N 2 1 236.403 2.450 20 0 BEADMP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cc[nH]c3)C2)C1 ZINC001276104155 984817553 /nfs/dbraw/zinc/81/75/53/984817553.db2.gz ZLPMXNOKAVTGIV-HNNXBMFYSA-N 2 1 247.386 2.323 20 0 BEADMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3cc[nH]c3)C2)C1 ZINC001276104155 984817556 /nfs/dbraw/zinc/81/75/56/984817556.db2.gz ZLPMXNOKAVTGIV-HNNXBMFYSA-N 2 1 247.386 2.323 20 0 BEADMP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3cc[nH]c3)C2)C1 ZINC001276104155 984817559 /nfs/dbraw/zinc/81/75/59/984817559.db2.gz ZLPMXNOKAVTGIV-HNNXBMFYSA-N 2 1 247.386 2.323 20 0 BEADMP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cc[nH]c3)C2)C1 ZINC001276104155 984817560 /nfs/dbraw/zinc/81/75/60/984817560.db2.gz ZLPMXNOKAVTGIV-HNNXBMFYSA-N 2 1 247.386 2.323 20 0 BEADMP CCCCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001257517321 985192515 /nfs/dbraw/zinc/19/25/15/985192515.db2.gz UVRABRFMNCFKEI-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP CCCCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001257517321 985192523 /nfs/dbraw/zinc/19/25/23/985192523.db2.gz UVRABRFMNCFKEI-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP CCCCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001257517321 985192535 /nfs/dbraw/zinc/19/25/35/985192535.db2.gz UVRABRFMNCFKEI-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(CC(C)C)nc1 ZINC001578570711 985212575 /nfs/dbraw/zinc/21/25/75/985212575.db2.gz BAIMFXIGZMHAIZ-CYBMUJFWSA-N 2 1 249.402 2.368 20 0 BEADMP CC(C)[C@H](C)[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC000686973748 985232424 /nfs/dbraw/zinc/23/24/24/985232424.db2.gz LACMWLWZHGOIHM-NWDGAFQWSA-N 2 1 212.381 2.399 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC001578638307 985248892 /nfs/dbraw/zinc/24/88/92/985248892.db2.gz KAMSNRNWQRNWTD-WISYIIOYSA-N 2 1 238.400 2.438 20 0 BEADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCCSC2)CC1 ZINC001257677496 985249300 /nfs/dbraw/zinc/24/93/00/985249300.db2.gz ZYEBCOVHUQQWLO-ZDUSSCGKSA-N 2 1 242.432 2.298 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCCSC2)CC1 ZINC001257677496 985249313 /nfs/dbraw/zinc/24/93/13/985249313.db2.gz ZYEBCOVHUQQWLO-ZDUSSCGKSA-N 2 1 242.432 2.298 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@H]1c1ccccc1 ZINC001578662061 985269833 /nfs/dbraw/zinc/26/98/33/985269833.db2.gz BVYAHZHLFQFOKL-OWCLPIDISA-N 2 1 244.382 2.474 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H]1c1ccccc1 ZINC001578662061 985269844 /nfs/dbraw/zinc/26/98/44/985269844.db2.gz BVYAHZHLFQFOKL-OWCLPIDISA-N 2 1 244.382 2.474 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H]1C[C@H]1c1ccccc1 ZINC001578662062 985272174 /nfs/dbraw/zinc/27/21/74/985272174.db2.gz BVYAHZHLFQFOKL-PMPSAXMXSA-N 2 1 244.382 2.474 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1C[C@H]1c1ccccc1 ZINC001578662062 985272186 /nfs/dbraw/zinc/27/21/86/985272186.db2.gz BVYAHZHLFQFOKL-PMPSAXMXSA-N 2 1 244.382 2.474 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@@H]1c1ccccc1 ZINC001578662060 985274270 /nfs/dbraw/zinc/27/42/70/985274270.db2.gz BVYAHZHLFQFOKL-HRCADAONSA-N 2 1 244.382 2.474 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@H]1c1ccccc1 ZINC001578662060 985274291 /nfs/dbraw/zinc/27/42/91/985274291.db2.gz BVYAHZHLFQFOKL-HRCADAONSA-N 2 1 244.382 2.474 20 0 BEADMP CSC(C)(C)C[C@@H](C)n1c[nH+]cc1CC[NH3+] ZINC001258320225 985804586 /nfs/dbraw/zinc/80/45/86/985804586.db2.gz OHRWUGMIZGHDLR-SNVBAGLBSA-N 2 1 241.404 2.477 20 0 BEADMP CO[C@H]1C[C@@H]([N@H+](C)C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC001579132397 985808291 /nfs/dbraw/zinc/80/82/91/985808291.db2.gz CXQSBTSEYZEJDB-RWMBFGLXSA-N 2 1 242.407 2.249 20 0 BEADMP CO[C@H]1C[C@@H]([N@@H+](C)C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC001579132397 985808295 /nfs/dbraw/zinc/80/82/95/985808295.db2.gz CXQSBTSEYZEJDB-RWMBFGLXSA-N 2 1 242.407 2.249 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c(C)c1 ZINC001579212574 985821703 /nfs/dbraw/zinc/82/17/03/985821703.db2.gz FDDGPZROOOYABB-OAHLLOKOSA-N 2 1 248.370 2.174 20 0 BEADMP CS[C@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC001579370313 985864089 /nfs/dbraw/zinc/86/40/89/985864089.db2.gz OLQONOCSKKREDJ-MROQNXINSA-N 2 1 242.432 2.391 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2CCc3ccccc3C2)C[C@H]1[NH3+] ZINC001579439960 985927430 /nfs/dbraw/zinc/92/74/30/985927430.db2.gz FTVLUYALSINRQS-DVOMOZLQSA-N 2 1 244.382 2.071 20 0 BEADMP [NH3+]C[C@H]1CCCC[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001206606778 985937691 /nfs/dbraw/zinc/93/76/91/985937691.db2.gz SKGZWBPAJLSXAK-GBJTYRQASA-N 2 1 234.387 2.259 20 0 BEADMP C[C@H](CC1CC1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001258473545 985939258 /nfs/dbraw/zinc/93/92/58/985939258.db2.gz NKSKXIOMMNKXRW-TZMCWYRMSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H](CC1CC1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001258473545 985939265 /nfs/dbraw/zinc/93/92/65/985939265.db2.gz NKSKXIOMMNKXRW-TZMCWYRMSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H](CC1CC1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001258473545 985939275 /nfs/dbraw/zinc/93/92/75/985939275.db2.gz NKSKXIOMMNKXRW-TZMCWYRMSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC001579499308 986029133 /nfs/dbraw/zinc/02/91/33/986029133.db2.gz IYBFKIZBJQQLPV-GRYCIOLGSA-N 2 1 210.365 2.295 20 0 BEADMP Cc1ccc(F)c(CC[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC001579706477 986191774 /nfs/dbraw/zinc/19/17/74/986191774.db2.gz PWDVRXVOBSEUAB-UHFFFAOYSA-N 2 1 248.345 2.018 20 0 BEADMP Cc1ccc2c(c1)CC[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)C2 ZINC001579738420 986205403 /nfs/dbraw/zinc/20/54/03/986205403.db2.gz PJWGDCXFRIJROE-CJNGLKHVSA-N 2 1 244.382 2.209 20 0 BEADMP Cc1cccnc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC001579809144 986228745 /nfs/dbraw/zinc/22/87/45/986228745.db2.gz RQMTXVLSVTXMBO-CYBMUJFWSA-N 2 1 247.386 2.258 20 0 BEADMP CC[NH+]1CCC(C[N@@H+](C)Cc2cccn2C)CC1 ZINC001461936417 986237375 /nfs/dbraw/zinc/23/73/75/986237375.db2.gz OYVCRKSAUNZRMX-UHFFFAOYSA-N 2 1 249.402 2.189 20 0 BEADMP C[C@@H]1CCC[C@@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC001258825535 986290437 /nfs/dbraw/zinc/29/04/37/986290437.db2.gz DBHSJPLDWQMPCL-YIYPIFLZSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC001258825535 986290447 /nfs/dbraw/zinc/29/04/47/986290447.db2.gz DBHSJPLDWQMPCL-YIYPIFLZSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC001258825535 986290460 /nfs/dbraw/zinc/29/04/60/986290460.db2.gz DBHSJPLDWQMPCL-YIYPIFLZSA-N 2 1 222.376 2.059 20 0 BEADMP Cc1ncccc1C[NH2+][C@@](C)(C[NH3+])CC(C)C ZINC001579881393 986294683 /nfs/dbraw/zinc/29/46/83/986294683.db2.gz CIJSGNJTFQNTTO-CQSZACIVSA-N 2 1 235.375 2.243 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2C[C@@H]3CCC[C@H]3C2)CC1 ZINC001254515813 986664580 /nfs/dbraw/zinc/66/45/80/986664580.db2.gz DJLYCFKHCUMNKO-IHRRRGAJSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H]1CCCC[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254515818 986671678 /nfs/dbraw/zinc/67/16/78/986671678.db2.gz DKZZQTDVHDGXDD-QWHCGFSZSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@H]1CCCC[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254515818 986671683 /nfs/dbraw/zinc/67/16/83/986671683.db2.gz DKZZQTDVHDGXDD-QWHCGFSZSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@H]1CCCC[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254515818 986671692 /nfs/dbraw/zinc/67/16/92/986671692.db2.gz DKZZQTDVHDGXDD-QWHCGFSZSA-N 2 1 210.365 2.345 20 0 BEADMP Cc1ccc[nH+]c1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000382410191 986747017 /nfs/dbraw/zinc/74/70/17/986747017.db2.gz DHCPKZUYEJBQHW-QWRGUYRKSA-N 2 1 205.305 2.072 20 0 BEADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2F)C1 ZINC001580423341 986842862 /nfs/dbraw/zinc/84/28/62/986842862.db2.gz XLSCHVJVIKGCLR-DTORHVGOSA-N 2 1 228.698 2.058 20 0 BEADMP CCCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001255334044 986932381 /nfs/dbraw/zinc/93/23/81/986932381.db2.gz KXGLLGPODUIAFA-MELADBBJSA-N 2 1 224.392 2.449 20 0 BEADMP CCCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001255334044 986932388 /nfs/dbraw/zinc/93/23/88/986932388.db2.gz KXGLLGPODUIAFA-MELADBBJSA-N 2 1 224.392 2.449 20 0 BEADMP CCCC[C@H](C)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001255334044 986932396 /nfs/dbraw/zinc/93/23/96/986932396.db2.gz KXGLLGPODUIAFA-MELADBBJSA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](CCCO)C(C)C ZINC001255964433 987103114 /nfs/dbraw/zinc/10/31/14/987103114.db2.gz SIGWSCAXHAVEAE-CQSZACIVSA-N 2 1 244.423 2.200 20 0 BEADMP C[C@H](CC[NH2+]Cc1cccc2c1OCC2)[NH+](C)C ZINC000693115422 987305073 /nfs/dbraw/zinc/30/50/73/987305073.db2.gz GUHAVAREOWKVBF-GFCCVEGCSA-N 2 1 248.370 2.051 20 0 BEADMP CC(C)c1[nH+]ccn1C[C@H]1CCCC[NH2+]C1 ZINC000697002680 987343721 /nfs/dbraw/zinc/34/37/21/987343721.db2.gz ZXRKCTLEPUHQFU-LBPRGKRZSA-N 2 1 221.348 2.396 20 0 BEADMP CC[C@H]1CCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000697041066 987347788 /nfs/dbraw/zinc/34/77/88/987347788.db2.gz KJOOQLGPFYHEDJ-STQMWFEESA-N 2 1 210.365 2.251 20 0 BEADMP c1ccc2c(c1)C[NH+](C[C@H]1CCCC[NH2+]C1)C2 ZINC000697058591 987348658 /nfs/dbraw/zinc/34/86/58/987348658.db2.gz RMENEDHRIMETCE-ZDUSSCGKSA-N 2 1 230.355 2.392 20 0 BEADMP CC1(C)CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699309681 987373135 /nfs/dbraw/zinc/37/31/35/987373135.db2.gz COZZPPCXZQWTSM-YHWZYXNKSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C(C)(C)c2cccnc2)CC[NH2+]1 ZINC001246082687 987375478 /nfs/dbraw/zinc/37/54/78/987375478.db2.gz RQRLGDWROQUHGD-YPMHNXCESA-N 2 1 233.359 2.047 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C2(C)CCCCC2)C[NH2+]1 ZINC001246080830 987375524 /nfs/dbraw/zinc/37/55/24/987375524.db2.gz KPWVNTAWDGJGJC-NEPJUHHUSA-N 2 1 210.365 2.439 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C(C)(C)c2cccnc2)CC[NH2+]1 ZINC001246082683 987375980 /nfs/dbraw/zinc/37/59/80/987375980.db2.gz RQRLGDWROQUHGD-WCQYABFASA-N 2 1 233.359 2.047 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@H]2CCC(C)(C)C2)C[NH2+]1 ZINC001246085694 987386282 /nfs/dbraw/zinc/38/62/82/987386282.db2.gz RSMHJGLQGWUPSO-SRVKXCTJSA-N 2 1 210.365 2.295 20 0 BEADMP CC[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246087705 987389098 /nfs/dbraw/zinc/38/90/98/987389098.db2.gz ZWXHGLQAHREZNT-RVMXOQNASA-N 2 1 210.365 2.295 20 0 BEADMP Cc1cccc2c1[C@H]([NH2+]C1CC[NH2+]CC1)CCO2 ZINC001246099814 987420424 /nfs/dbraw/zinc/42/04/24/987420424.db2.gz KGYMFAPUTBTVAO-CYBMUJFWSA-N 2 1 246.354 2.160 20 0 BEADMP CCSC[C@H](C)[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246105874 987431700 /nfs/dbraw/zinc/43/17/00/987431700.db2.gz ONCBRDOTWPBIMD-GRYCIOLGSA-N 2 1 230.421 2.106 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C[NH2+]1 ZINC001246110559 987447037 /nfs/dbraw/zinc/44/70/37/987447037.db2.gz MUQCRMUJQVMYFY-GMTAPVOTSA-N 2 1 232.318 2.152 20 0 BEADMP Cc1ccc(C[C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001246121394 987466632 /nfs/dbraw/zinc/46/66/32/987466632.db2.gz YWSHWSBBCBUQGZ-HIFRSBDPSA-N 2 1 232.371 2.268 20 0 BEADMP CCCCC[C@H](C)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246128098 987477822 /nfs/dbraw/zinc/47/78/22/987477822.db2.gz DQVPHPJEXAMCEF-RYUDHWBXSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246132102 987480595 /nfs/dbraw/zinc/48/05/95/987480595.db2.gz KWXWBSHNEZVCAJ-FZMZJTMJSA-N 2 1 248.345 2.098 20 0 BEADMP CC(C)CCC[C@H](C)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246136011 987494348 /nfs/dbraw/zinc/49/43/48/987494348.db2.gz UJPBDMQWNOMFSL-AVGNSLFASA-N 2 1 210.365 2.153 20 0 BEADMP CCc1ccc(CC[NH2+][C@@H]2C[NH2+][C@H](C)C2)cc1 ZINC001246157314 987522234 /nfs/dbraw/zinc/52/22/34/987522234.db2.gz GFWWTMLVJDTAQR-DOMZBBRYSA-N 2 1 232.371 2.132 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CCCc2cccs2)C[NH2+]1 ZINC001246169897 987532763 /nfs/dbraw/zinc/53/27/63/987532763.db2.gz OOMBTJBENRLUJG-NEPJUHHUSA-N 2 1 238.400 2.411 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]CCCc2cccs2)C[NH2+]1 ZINC001246169899 987535350 /nfs/dbraw/zinc/53/53/50/987535350.db2.gz OOMBTJBENRLUJG-NWDGAFQWSA-N 2 1 238.400 2.411 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3)CC2)CC[NH2+]1 ZINC001246178534 987548909 /nfs/dbraw/zinc/54/89/09/987548909.db2.gz YWLOFUDFVYGYBR-OCCSQVGLSA-N 2 1 230.355 2.406 20 0 BEADMP CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)C1 ZINC001246181655 987555491 /nfs/dbraw/zinc/55/54/91/987555491.db2.gz WUXLKDWZZARFLX-FRRDWIJNSA-N 2 1 210.365 2.297 20 0 BEADMP CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C1 ZINC001246181651 987556464 /nfs/dbraw/zinc/55/64/64/987556464.db2.gz WUXLKDWZZARFLX-AGIUHOORSA-N 2 1 210.365 2.297 20 0 BEADMP CC1CCC([NH2+][C@@]2(C)CCC[NH2+]C2)CC1 ZINC001246188210 987567412 /nfs/dbraw/zinc/56/74/12/987567412.db2.gz IICNZGADZBVKGX-BPCQOVAHSA-N 2 1 210.365 2.297 20 0 BEADMP Cc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC001246187175 987569106 /nfs/dbraw/zinc/56/91/06/987569106.db2.gz MEMGUUPONTXHIY-UKRRQHHQSA-N 2 1 232.371 2.268 20 0 BEADMP c1ccc2cc(C[NH2+]C3CC[NH2+]CC3)ncc2c1 ZINC001246201409 987600525 /nfs/dbraw/zinc/60/05/25/987600525.db2.gz PHPVPBULXBQNDM-UHFFFAOYSA-N 2 1 241.338 2.076 20 0 BEADMP C[C@@H](CCCC(C)(C)O)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246227324 987623772 /nfs/dbraw/zinc/62/37/72/987623772.db2.gz BYUJAQJQGBADAR-FRRDWIJNSA-N 2 1 242.407 2.046 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C[NH2+]1 ZINC001246238368 987639467 /nfs/dbraw/zinc/63/94/67/987639467.db2.gz LPGYBPLFBUOTEB-AAEUAGOBSA-N 2 1 210.365 2.297 20 0 BEADMP Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC001246240362 987641169 /nfs/dbraw/zinc/64/11/69/987641169.db2.gz VXRMXLVVMWQECH-JHJVBQTASA-N 2 1 233.359 2.181 20 0 BEADMP CC[C@H]([NH3+])CC[NH2+]C1C[C@H](CC)[NH2+][C@@H](CC)C1 ZINC001246303941 987702074 /nfs/dbraw/zinc/70/20/74/987702074.db2.gz BMKGONXEVGHFFZ-AVGNSLFASA-N 3 1 241.423 2.013 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H]1CSc2ccccc2C1 ZINC001246314923 987718728 /nfs/dbraw/zinc/71/87/28/987718728.db2.gz RHCCJNJWNLQCFL-NWDGAFQWSA-N 2 1 236.384 2.030 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C[C@@H]1C ZINC001246325020 987731742 /nfs/dbraw/zinc/73/17/42/987731742.db2.gz IODWOOKTZVVCNE-QMVSFRDZSA-N 2 1 224.392 2.399 20 0 BEADMP CC1(C)CC[NH2+]C[C@@H]1[NH2+]C1CCCCC1 ZINC001246324806 987732540 /nfs/dbraw/zinc/73/25/40/987732540.db2.gz GMDBNVRGGOHTRG-LBPRGKRZSA-N 2 1 210.365 2.297 20 0 BEADMP CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)C1 ZINC001246332662 987739470 /nfs/dbraw/zinc/73/94/70/987739470.db2.gz RNZYWZBMPAJHOP-LPWJVIDDSA-N 2 1 210.365 2.295 20 0 BEADMP c1ccc(C2(C[NH2+][C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246331032 987740104 /nfs/dbraw/zinc/74/01/04/987740104.db2.gz GFHFYSYBXBGZAG-HNNXBMFYSA-N 2 1 244.382 2.450 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC001474507858 987741488 /nfs/dbraw/zinc/74/14/88/987741488.db2.gz FJWQEVJTYAANLV-XGUBFFRZSA-N 2 1 236.403 2.497 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC001474507858 987741492 /nfs/dbraw/zinc/74/14/92/987741492.db2.gz FJWQEVJTYAANLV-XGUBFFRZSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CCc2ccc3[nH]ccc3c2)C[NH2+]1 ZINC001246366058 987772309 /nfs/dbraw/zinc/77/23/09/987772309.db2.gz PYBMTTYJAXTCME-FZMZJTMJSA-N 2 1 243.354 2.050 20 0 BEADMP Cc1cc2c(cn1)[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)CC2 ZINC001246374795 987775514 /nfs/dbraw/zinc/77/55/14/987775514.db2.gz VHPZQGRCDWQGEM-ZLDLUXBVSA-N 2 1 245.370 2.107 20 0 BEADMP CCCC1([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CCC1 ZINC001246387009 987780087 /nfs/dbraw/zinc/78/00/87/987780087.db2.gz QVTMWKCQFDXRBT-RYUDHWBXSA-N 2 1 210.365 2.439 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCc3ccccc32)C[NH2+]1 ZINC001246422462 987794376 /nfs/dbraw/zinc/79/43/76/987794376.db2.gz WZJVBNZTOIQKQX-SNPRPXQTSA-N 2 1 244.382 2.447 20 0 BEADMP Fc1ccccc1CC1([NH2+][C@H]2CCCNC2)CC1 ZINC001246440443 987798227 /nfs/dbraw/zinc/79/82/27/987798227.db2.gz UBUATPUKZRQQSJ-ZDUSSCGKSA-N 2 1 248.345 2.242 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]C(C)(C)Cc2ccccn2)C[NH2+]1 ZINC001246432884 987799251 /nfs/dbraw/zinc/79/92/51/987799251.db2.gz IQGJDGDIMIOZHD-JSGCOSHPSA-N 2 1 247.386 2.133 20 0 BEADMP CC1(C)CC[C@H](C[NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC001246438620 987799548 /nfs/dbraw/zinc/79/95/48/987799548.db2.gz YNKDONLSBGSFCG-NWDGAFQWSA-N 2 1 210.365 2.154 20 0 BEADMP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246443050 987803423 /nfs/dbraw/zinc/80/34/23/987803423.db2.gz WGRZZPLPEJBIDY-CYBMUJFWSA-N 2 1 247.386 2.009 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC001117319496 987822107 /nfs/dbraw/zinc/82/21/07/987822107.db2.gz VECJSHPOWILMQL-SNPRPXQTSA-N 2 1 236.403 2.497 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC001117319495 987822727 /nfs/dbraw/zinc/82/27/27/987822727.db2.gz VECJSHPOWILMQL-BPLDGKMQSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1C[NH2+]C[C@@H]2C[C@@H]21 ZINC001246504756 987858938 /nfs/dbraw/zinc/85/89/38/987858938.db2.gz RXRBQBZXFWRVOX-HTVCTNPSSA-N 2 1 224.392 2.399 20 0 BEADMP CCC[N@@H+]([C@H](C)CC)[C@@H](C)CC[NH2+]C ZINC001246526793 987877943 /nfs/dbraw/zinc/87/79/43/987877943.db2.gz CRIXAFALJCJEMQ-NEPJUHHUSA-N 2 1 200.370 2.495 20 0 BEADMP C[C@@]1([NH3+])CC[N@H+](C2CC(C)(C)OC(C)(C)C2)C1 ZINC001246532817 987891947 /nfs/dbraw/zinc/89/19/47/987891947.db2.gz YJNKFDHINZWTKE-CQSZACIVSA-N 2 1 240.391 2.146 20 0 BEADMP CCCCCC[C@H](C)[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001246536657 987893943 /nfs/dbraw/zinc/89/39/43/987893943.db2.gz VULAOWJBJXVVDT-KBPBESRZSA-N 2 1 242.407 2.395 20 0 BEADMP CCCCC[C@H](CC)[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC001246535693 987895496 /nfs/dbraw/zinc/89/54/96/987895496.db2.gz OTSUEILOINSQML-UONOGXRCSA-N 2 1 242.407 2.395 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246538457 987896711 /nfs/dbraw/zinc/89/67/11/987896711.db2.gz CCUVMRDCXGJJMG-XDQVBPFNSA-N 2 1 242.407 2.107 20 0 BEADMP CC[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]([NH3+])CC2)C1 ZINC001246539262 987901921 /nfs/dbraw/zinc/90/19/21/987901921.db2.gz GPBUZHPAQFDDKA-JHJVBQTASA-N 2 1 210.365 2.378 20 0 BEADMP Cc1cccc2c1CC[C@@H]([N@@H+]1CC[C@@H]([NH3+])[C@H]1C)C2 ZINC001246542905 987910395 /nfs/dbraw/zinc/91/03/95/987910395.db2.gz MEHQNNZPAODHMQ-XNRPHZJLSA-N 2 1 244.382 2.274 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1[C@@H]1Cc2cccc(F)c2C1 ZINC001246548147 987939750 /nfs/dbraw/zinc/93/97/50/987939750.db2.gz RJEARNNYMIFELY-WCFLWFBJSA-N 2 1 248.345 2.105 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1[C@@H]1Cc2cccc(F)c2C1 ZINC001246548147 987939760 /nfs/dbraw/zinc/93/97/60/987939760.db2.gz RJEARNNYMIFELY-WCFLWFBJSA-N 2 1 248.345 2.105 20 0 BEADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@@H]2CCCSC2)CC1 ZINC001246551056 987948546 /nfs/dbraw/zinc/94/85/46/987948546.db2.gz OUDAKWATTAVEMW-NEPJUHHUSA-N 2 1 246.395 2.035 20 0 BEADMP CSCC[C@H](C)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246552937 987953007 /nfs/dbraw/zinc/95/30/07/987953007.db2.gz QDXBDAMEBHOKGZ-RYUDHWBXSA-N 2 1 230.421 2.331 20 0 BEADMP CC(C)OCC[C@H](C)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246552902 987953554 /nfs/dbraw/zinc/95/35/54/987953554.db2.gz QBZCPODKBJHSDY-KBPBESRZSA-N 2 1 242.407 2.393 20 0 BEADMP CCSC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246555736 987969294 /nfs/dbraw/zinc/96/92/94/987969294.db2.gz GAKMJGFCRLIZSJ-FRRDWIJNSA-N 2 1 244.448 2.435 20 0 BEADMP CSCC[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246555388 987970356 /nfs/dbraw/zinc/97/03/56/987970356.db2.gz DVSIYTSHRDEUAG-AVGNSLFASA-N 2 1 244.448 2.435 20 0 BEADMP CCSC[C@H](C)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246556422 987971380 /nfs/dbraw/zinc/97/13/80/987971380.db2.gz ZRJCJXVVEBJJOO-RYUDHWBXSA-N 2 1 230.421 2.331 20 0 BEADMP CC[C@@H]1CC[C@@H]([N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)C1 ZINC001246557583 987977611 /nfs/dbraw/zinc/97/76/11/987977611.db2.gz MIZWOROXXRCCCN-GRYCIOLGSA-N 2 1 246.345 2.481 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC001118059122 987998810 /nfs/dbraw/zinc/99/88/10/987998810.db2.gz OIULIVFLPVAGGF-NWDGAFQWSA-N 2 1 238.379 2.113 20 0 BEADMP CCOCC[C@@H](C)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246571260 988063230 /nfs/dbraw/zinc/06/32/30/988063230.db2.gz AREYRNVZLFEHKS-KGLIPLIRSA-N 2 1 242.407 2.252 20 0 BEADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@@H](C)[C@@H](C)C1 ZINC001246572963 988066507 /nfs/dbraw/zinc/06/65/07/988066507.db2.gz LNHDZFKQQNZENQ-AGIUHOORSA-N 2 1 212.381 2.352 20 0 BEADMP CCC(CC)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246575086 988085980 /nfs/dbraw/zinc/08/59/80/988085980.db2.gz GSZSGNXGJYRKPL-GFCCVEGCSA-N 2 1 216.344 2.328 20 0 BEADMP CCC(CC)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246575086 988086001 /nfs/dbraw/zinc/08/60/01/988086001.db2.gz GSZSGNXGJYRKPL-GFCCVEGCSA-N 2 1 216.344 2.328 20 0 BEADMP CCCc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC001118196297 988087686 /nfs/dbraw/zinc/08/76/86/988087686.db2.gz AWIJTVKAABTWFF-OAHLLOKOSA-N 2 1 232.371 2.420 20 0 BEADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)CCO1 ZINC001246579846 988102860 /nfs/dbraw/zinc/10/28/60/988102860.db2.gz LTSHHWBNKMLITL-IHRRRGAJSA-N 2 1 240.391 2.005 20 0 BEADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](C2CCCCC2)C1 ZINC001246581531 988108290 /nfs/dbraw/zinc/10/82/90/988108290.db2.gz QLMHQNHWMGRGCU-ZDUSSCGKSA-N 2 1 228.355 2.472 20 0 BEADMP [NH3+]C[C@@]1(F)CCCC[N@H+](C2CCCCC2)C1 ZINC001246581531 988108296 /nfs/dbraw/zinc/10/82/96/988108296.db2.gz QLMHQNHWMGRGCU-ZDUSSCGKSA-N 2 1 228.355 2.472 20 0 BEADMP CSCC[C@@H](C)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246580933 988111124 /nfs/dbraw/zinc/11/11/24/988111124.db2.gz JCAFOVJBKGDBBC-NEPJUHHUSA-N 2 1 230.421 2.189 20 0 BEADMP CC1(C)[C@@H]2C[C@H]([N@H+]3CCCC[C@H](C[NH3+])C3)C[C@@H]21 ZINC001246584952 988136744 /nfs/dbraw/zinc/13/67/44/988136744.db2.gz XBBWFQLWPIYKRX-YIYPIFLZSA-N 2 1 236.403 2.482 20 0 BEADMP C[NH2+]CC1C[NH+]([C@@H](C)CCc2ccc(C)cc2)C1 ZINC001246593162 988175954 /nfs/dbraw/zinc/17/59/54/988175954.db2.gz AMQLHXZCHZGUSK-AWEZNQCLSA-N 2 1 246.398 2.467 20 0 BEADMP CCOCC[C@@H](C)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246595229 988183832 /nfs/dbraw/zinc/18/38/32/988183832.db2.gz SHSOHVYPPUUEDK-ZIAGYGMSSA-N 2 1 242.407 2.252 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2CCC(F)(F)C(C)(C)C2)CC[NH2+]1 ZINC001246593980 988187729 /nfs/dbraw/zinc/18/77/29/988187729.db2.gz CNLSZIJHYAFXDO-WDEREUQCSA-N 2 1 246.345 2.494 20 0 BEADMP C[NH2+]CC1C[NH+]([C@H](C)CCCC(C)C)C1 ZINC001246597449 988194846 /nfs/dbraw/zinc/19/48/46/988194846.db2.gz MDJPUDNLBWCEHI-GFCCVEGCSA-N 2 1 212.381 2.352 20 0 BEADMP CC1(C)C[C@H]([N@H+]2CCCC[C@@](C)(C[NH3+])C2)CO1 ZINC001246597876 988198005 /nfs/dbraw/zinc/19/80/05/988198005.db2.gz YODAFBONJYWHFO-JSGCOSHPSA-N 2 1 240.391 2.005 20 0 BEADMP CSC(C)(C)C[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246633296 988320725 /nfs/dbraw/zinc/32/07/25/988320725.db2.gz LFVDUOUSWVPBLZ-SDDRHHMPSA-N 2 1 242.432 2.343 20 0 BEADMP CSC(C)(C)C[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246633296 988320741 /nfs/dbraw/zinc/32/07/41/988320741.db2.gz LFVDUOUSWVPBLZ-SDDRHHMPSA-N 2 1 242.432 2.343 20 0 BEADMP C[C@@H]1CC([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)C[C@@H](C)C1 ZINC001246637707 988324411 /nfs/dbraw/zinc/32/44/11/988324411.db2.gz ISDJJFXQPGHPOI-CDGCEXEKSA-N 2 1 222.376 2.247 20 0 BEADMP CC(C)CC[C@H](C)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246636053 988326788 /nfs/dbraw/zinc/32/67/88/988326788.db2.gz KSJMIFGNJKZOJT-MELADBBJSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)CC[C@H](C)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246636053 988326805 /nfs/dbraw/zinc/32/68/05/988326805.db2.gz KSJMIFGNJKZOJT-MELADBBJSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]1CC([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)C[C@H](C)C1 ZINC001246637709 988327204 /nfs/dbraw/zinc/32/72/04/988327204.db2.gz ISDJJFXQPGHPOI-HBJVGIJOSA-N 2 1 222.376 2.247 20 0 BEADMP CCC[C@H](C)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246641306 988345765 /nfs/dbraw/zinc/34/57/65/988345765.db2.gz DHVWQVWJONFZMG-QWHCGFSZSA-N 2 1 210.365 2.393 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)C[C@@H]1C ZINC001246642100 988351757 /nfs/dbraw/zinc/35/17/57/988351757.db2.gz ZEYVORMFGNMNBC-MBJXGIAVSA-N 2 1 222.376 2.247 20 0 BEADMP CC1(C)CCC([N@H+]2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246644593 988353885 /nfs/dbraw/zinc/35/38/85/988353885.db2.gz IIJGHTBYKFXEIO-WCQYABFASA-N 2 1 222.376 2.249 20 0 BEADMP C1[C@@H]2C[C@H]([N@H+]3CCCC[C@]34CC[NH2+]C4)C[C@H]12 ZINC001246645854 988360769 /nfs/dbraw/zinc/36/07/69/988360769.db2.gz WSKZRICTSLUXDG-ZOBORPQBSA-N 2 1 220.360 2.003 20 0 BEADMP CC1(C)CCC[C@@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]32)C1 ZINC001246647545 988363034 /nfs/dbraw/zinc/36/30/34/988363034.db2.gz SUBPBCFTRDAKIZ-YNEHKIRRSA-N 2 1 222.376 2.249 20 0 BEADMP CC1(C)CCC[C@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]32)C1 ZINC001246647544 988366393 /nfs/dbraw/zinc/36/63/93/988366393.db2.gz SUBPBCFTRDAKIZ-RWMBFGLXSA-N 2 1 222.376 2.249 20 0 BEADMP CC[C@H](C[C@@H](C)CC)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246653440 988378080 /nfs/dbraw/zinc/37/80/80/988378080.db2.gz SZABWMCKKATUHC-IGQOVBAYSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)C[NH2+]1 ZINC001246654514 988381371 /nfs/dbraw/zinc/38/13/71/988381371.db2.gz ICSDDTWLEVWPPT-KKOKHZNYSA-N 2 1 244.329 2.104 20 0 BEADMP C[C@H]1C[C@H]([N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CC[NH2+]1 ZINC001246656402 988383144 /nfs/dbraw/zinc/38/31/44/988383144.db2.gz NOJKRZHMJRVRJY-QCNOEVLYSA-N 2 1 244.329 2.104 20 0 BEADMP CC(C)C1CCC([N@H+]2C[C@H]3CC[NH2+]C[C@H]32)CC1 ZINC001246661577 988400826 /nfs/dbraw/zinc/40/08/26/988400826.db2.gz GQISEUHXQOQMNO-HXSCFSKGSA-N 2 1 236.403 2.495 20 0 BEADMP CCCCCC[C@H](C)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246665873 988403443 /nfs/dbraw/zinc/40/34/43/988403443.db2.gz UWBIDIIGXDPMIA-RVMXOQNASA-N 2 1 210.365 2.234 20 0 BEADMP CCCCCC[C@@H](C)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246665871 988405313 /nfs/dbraw/zinc/40/53/13/988405313.db2.gz UWBIDIIGXDPMIA-FVCCEPFGSA-N 2 1 210.365 2.234 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2C[C@H]3CC[NH2+]C[C@H]32)CC(C)(C)C1 ZINC001246666986 988408840 /nfs/dbraw/zinc/40/88/40/988408840.db2.gz WPTVHIXJEFJZDV-RFQIPJPRSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@H]1C[C@@H]([N@H+]2C[C@H]3CC[NH2+]C[C@H]32)CC(C)(C)C1 ZINC001246666985 988409879 /nfs/dbraw/zinc/40/98/79/988409879.db2.gz WPTVHIXJEFJZDV-REWJHTLYSA-N 2 1 236.403 2.495 20 0 BEADMP CC(C)CCC[C@H](C)[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001246669875 988412845 /nfs/dbraw/zinc/41/28/45/988412845.db2.gz CFOHPPNMUVQRHY-MELADBBJSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)CC(CC(C)C)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246667246 988412920 /nfs/dbraw/zinc/41/29/20/988412920.db2.gz YRHLZTICZOHNDD-BTTYYORXSA-N 2 1 224.392 2.336 20 0 BEADMP CC(C)CC[C@@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246671378 988415837 /nfs/dbraw/zinc/41/58/37/988415837.db2.gz ZWPXSKYPFDUOFG-MGPQQGTHSA-N 2 1 224.392 2.352 20 0 BEADMP CC(C)C1CCC([N@H+]2C[C@H]3C[NH2+]CC[C@@H]32)CC1 ZINC001246677669 988419791 /nfs/dbraw/zinc/41/97/91/988419791.db2.gz WWEBOSCGNKFHHB-JYVUQVBGSA-N 2 1 236.403 2.495 20 0 BEADMP CC[C@H]1CCCC[N@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246843276 988546395 /nfs/dbraw/zinc/54/63/95/988546395.db2.gz FMAHAOQRSOBZIB-AGIUHOORSA-N 2 1 210.365 2.391 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])C[C@@H]1C ZINC001246841221 988549425 /nfs/dbraw/zinc/54/94/25/988549425.db2.gz NAUFFWJWDCPYLB-BYGOPZEFSA-N 2 1 236.403 2.480 20 0 BEADMP C[C@H]1CC[C@H]([N@@H+]2CCCCC23CC3)C[NH2+]1 ZINC001246844634 988553435 /nfs/dbraw/zinc/55/34/35/988553435.db2.gz JVFSXIHXRQAKFT-RYUDHWBXSA-N 2 1 208.349 2.145 20 0 BEADMP C[C@H]1CC[C@H]([N@H+]2CCCCC23CC3)C[NH2+]1 ZINC001246844634 988553461 /nfs/dbraw/zinc/55/34/61/988553461.db2.gz JVFSXIHXRQAKFT-RYUDHWBXSA-N 2 1 208.349 2.145 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CC2(C)C)CC[NH2+]1 ZINC001246846180 988554195 /nfs/dbraw/zinc/55/41/95/988554195.db2.gz NDDBSKYPKCPMMD-UTUOFQBUSA-N 2 1 210.365 2.105 20 0 BEADMP CCCC(CCC)[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001246846426 988558400 /nfs/dbraw/zinc/55/84/00/988558400.db2.gz NPDAZVZRNKDCEM-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CC1(C)CCC[C@H]([N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)C1 ZINC001246857032 988579890 /nfs/dbraw/zinc/57/98/90/988579890.db2.gz ZBAXGEYHZXYKBB-SGMGOOAPSA-N 2 1 222.376 2.378 20 0 BEADMP Cc1ccc(C[C@H](C)[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001246858704 988584902 /nfs/dbraw/zinc/58/49/02/988584902.db2.gz HYAVMZRXHBILKG-CWRNSKLLSA-N 2 1 244.382 2.349 20 0 BEADMP C[C@@H]1C[C@H]([NH+]2CC3CCC(CC3)C2)CC[NH2+]1 ZINC001246881028 988650645 /nfs/dbraw/zinc/65/06/45/988650645.db2.gz GKTOHDYJRUAMNW-BLYZHGLHSA-N 2 1 222.376 2.249 20 0 BEADMP CCc1ccc(C[C@H](C)[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC001246883942 988650728 /nfs/dbraw/zinc/65/07/28/988650728.db2.gz YUIDCHHBDNPPRM-WWGRRREGSA-N 2 1 246.398 2.459 20 0 BEADMP CCc1ccc(C[C@H](C)[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC001246883942 988650734 /nfs/dbraw/zinc/65/07/34/988650734.db2.gz YUIDCHHBDNPPRM-WWGRRREGSA-N 2 1 246.398 2.459 20 0 BEADMP CCC[N@@H+](C1CCOCC1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246900259 988676753 /nfs/dbraw/zinc/67/67/53/988676753.db2.gz UOTJSRDMYYEVPC-JSGCOSHPSA-N 2 1 240.391 2.018 20 0 BEADMP FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC[NH2+]C1 ZINC001118896599 988677242 /nfs/dbraw/zinc/67/72/42/988677242.db2.gz DFVAUGKIHXIQTA-UTUOFQBUSA-N 2 1 244.329 2.248 20 0 BEADMP CC[C@@H](C)OCC[C@H](C)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246906864 988684632 /nfs/dbraw/zinc/68/46/32/988684632.db2.gz BPAHRCAQOGYXJF-YNEHKIRRSA-N 2 1 228.380 2.003 20 0 BEADMP CC[C@@H](C)OCC[C@H](C)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246906864 988684646 /nfs/dbraw/zinc/68/46/46/988684646.db2.gz BPAHRCAQOGYXJF-YNEHKIRRSA-N 2 1 228.380 2.003 20 0 BEADMP NC[C@H]1CCC[N@H+]1[C@H]1CCc2cc(F)ccc2C1 ZINC001246907670 988691030 /nfs/dbraw/zinc/69/10/30/988691030.db2.gz HFPXDZHPJFQWAY-LSDHHAIUSA-N 2 1 248.345 2.106 20 0 BEADMP [NH3+]C[C@H]1CCC[N@H+]1[C@H]1CCc2cc(F)ccc2C1 ZINC001246907670 988691049 /nfs/dbraw/zinc/69/10/49/988691049.db2.gz HFPXDZHPJFQWAY-LSDHHAIUSA-N 2 1 248.345 2.106 20 0 BEADMP CCC[N@@H+](CC(C)C)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246911219 988697410 /nfs/dbraw/zinc/69/74/10/988697410.db2.gz OIIAVQFDHUTTLZ-GFCCVEGCSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1CCC[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246928723 988754655 /nfs/dbraw/zinc/75/46/55/988754655.db2.gz BTMCBCPGVNNINB-APIJFGDWSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H](CC1CC1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246930516 988764105 /nfs/dbraw/zinc/76/41/05/988764105.db2.gz JSQIQHIYWSYDFS-FPMFFAJLSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@H](Cc1ccco1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246936816 988769925 /nfs/dbraw/zinc/76/99/25/988769925.db2.gz XRPDLRIJLABAHP-MCIONIFRSA-N 2 1 248.370 2.142 20 0 BEADMP CCCCC[C@@H](C)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246947138 988780709 /nfs/dbraw/zinc/78/07/09/988780709.db2.gz IXEKUNBXOAJZGW-NDBYEHHHSA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)[N@@H+](C1CCOCC1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246985032 988813717 /nfs/dbraw/zinc/81/37/17/988813717.db2.gz ORVSEZFBDKAZBN-GXTWGEPZSA-N 2 1 240.391 2.016 20 0 BEADMP CCCC1CCC([N@@H+]2C[C@@H](OC)[C@@H](N)C2)CC1 ZINC001246982963 988814276 /nfs/dbraw/zinc/81/42/76/988814276.db2.gz LMQAVQSDVZGADD-CLRIEMFWSA-N 2 1 240.391 2.003 20 0 BEADMP CCCC1CCC(N2C[C@@H](OC)[C@@H]([NH3+])C2)CC1 ZINC001246982963 988814284 /nfs/dbraw/zinc/81/42/84/988814284.db2.gz LMQAVQSDVZGADD-CLRIEMFWSA-N 2 1 240.391 2.003 20 0 BEADMP CO[C@@H]1C[N@H+]([C@@H](C)C[C@@H](C)CC(C)C)C[C@@H]1N ZINC001246983889 988815506 /nfs/dbraw/zinc/81/55/06/988815506.db2.gz VTJDXDOLENTBCH-XDQVBPFNSA-N 2 1 242.407 2.105 20 0 BEADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]CCC[C@H]1CCO1 ZINC001119243787 988858133 /nfs/dbraw/zinc/85/81/33/988858133.db2.gz YEFZANPGCVBPJX-BFHYXJOUSA-N 2 1 240.391 2.018 20 0 BEADMP [NH3+]C[C@@H]([NH2+]Cc1ccc2c(c1)CCC2)C1CC1 ZINC001325610433 989215458 /nfs/dbraw/zinc/21/54/58/989215458.db2.gz IVHQKRANXBCQKW-OAHLLOKOSA-N 2 1 230.355 2.002 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cscc1Cl ZINC001325628213 989219898 /nfs/dbraw/zinc/21/98/98/989219898.db2.gz XKQWUAUHPRUZAU-MRVPVSSYSA-N 2 1 232.780 2.347 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(F)c(F)c1 ZINC001326073951 989363808 /nfs/dbraw/zinc/36/38/08/989363808.db2.gz BSFMMNRJLJSXLY-VIFPVBQESA-N 2 1 228.286 2.052 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccccc1N1CCCC1 ZINC001326076861 989366636 /nfs/dbraw/zinc/36/66/36/989366636.db2.gz RJDFREPMSWYOFY-AWEZNQCLSA-N 2 1 247.386 2.114 20 0 BEADMP CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001326194982 989411280 /nfs/dbraw/zinc/41/12/80/989411280.db2.gz RESQDTMUKBUGGD-YVECIDJPSA-N 2 1 242.432 2.343 20 0 BEADMP CCC(=O)CC[N@H+](C)[C@@H]1CCN(CC)C[C@H]1C ZINC001326304744 989473624 /nfs/dbraw/zinc/47/36/24/989473624.db2.gz GJXZPDCBOJTADB-TZMCWYRMSA-N 2 1 240.391 2.018 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC001326474171 989572650 /nfs/dbraw/zinc/57/26/50/989572650.db2.gz TXQYBZIEVIDZOF-ZJUUUORDSA-N 2 1 241.766 2.384 20 0 BEADMP CC1(C)CCC[N@@H+](CCNc2cc[nH+]cc2)C1 ZINC001120779930 989878051 /nfs/dbraw/zinc/87/80/51/989878051.db2.gz RZRHOQGKWNUHCC-UHFFFAOYSA-N 2 1 233.359 2.037 20 0 BEADMP CCc1ccc(NC[C@H]2C[C@@H]([NH+](C)C)C2)[nH+]c1 ZINC001120861911 989930599 /nfs/dbraw/zinc/93/05/99/989930599.db2.gz LAOGKXPHNBMEBP-BETUJISGSA-N 2 1 233.359 2.396 20 0 BEADMP C[N@H+]1CCCC[C@@H]1CNc1cc[nH+]cc1C1CC1 ZINC001120884892 989946326 /nfs/dbraw/zinc/94/63/26/989946326.db2.gz RZIMCDOIFMUIJW-CYBMUJFWSA-N 2 1 245.370 2.277 20 0 BEADMP CCC(CC)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001308554267 991036412 /nfs/dbraw/zinc/03/64/12/991036412.db2.gz NPJMDGMEQZUKHS-BFHYXJOUSA-N 2 1 224.392 2.352 20 0 BEADMP CCC(CC)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001308554270 991036726 /nfs/dbraw/zinc/03/67/26/991036726.db2.gz NPJMDGMEQZUKHS-MGPQQGTHSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@H](Cc1ccco1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001258176203 991074755 /nfs/dbraw/zinc/07/47/55/991074755.db2.gz MRJOUFIMPYYTRA-YIYPIFLZSA-N 2 1 248.370 2.425 20 0 BEADMP Cc1c[nH+]c(CC[NH3+])n1[C@H](C)Cc1ccco1 ZINC001258176321 991076261 /nfs/dbraw/zinc/07/62/61/991076261.db2.gz PRHQDFVDPHLQBF-SNVBAGLBSA-N 2 1 233.315 2.089 20 0 BEADMP C[C@@H](Cc1ccco1)[NH+]1CCC([NH+](C)C)CC1 ZINC001258185494 991085921 /nfs/dbraw/zinc/08/59/21/991085921.db2.gz PNPPREIANTYDCM-LBPRGKRZSA-N 2 1 236.359 2.237 20 0 BEADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)CCSC)C[C@@H]2C1 ZINC001258227857 991168623 /nfs/dbraw/zinc/16/86/23/991168623.db2.gz HJKDKHDJTTUUIG-RWMBFGLXSA-N 2 1 242.432 2.012 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)CCSC)C[C@@H]2C1 ZINC001258227857 991168630 /nfs/dbraw/zinc/16/86/30/991168630.db2.gz HJKDKHDJTTUUIG-RWMBFGLXSA-N 2 1 242.432 2.012 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)CCSC)C[C@@H]2C1 ZINC001258227857 991168648 /nfs/dbraw/zinc/16/86/48/991168648.db2.gz HJKDKHDJTTUUIG-RWMBFGLXSA-N 2 1 242.432 2.012 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12)C1CCCC1 ZINC001308983263 991246304 /nfs/dbraw/zinc/24/63/04/991246304.db2.gz BVPJGNMQJYRLQU-PMOUVXMZSA-N 2 1 236.403 2.495 20 0 BEADMP CSC(C)(C)C[C@H](C)[N@H+]1CCC[C@H]([NH3+])C1 ZINC001258321845 991247595 /nfs/dbraw/zinc/24/75/95/991247595.db2.gz RYQNWXGVYYURQU-QWRGUYRKSA-N 2 1 230.421 2.330 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21)C1CCCC1 ZINC001308983262 991251367 /nfs/dbraw/zinc/25/13/67/991251367.db2.gz BVPJGNMQJYRLQU-CYUUQNCZSA-N 2 1 236.403 2.495 20 0 BEADMP COc1ccc(CC[C@H](C)[NH2+]C2(C[NH3+])CC2)cc1 ZINC001258396972 991344910 /nfs/dbraw/zinc/34/49/10/991344910.db2.gz UCZGXLFPPQPTEO-LBPRGKRZSA-N 2 1 248.370 2.097 20 0 BEADMP C[C@H](CC1CC1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001258461666 991417526 /nfs/dbraw/zinc/41/75/26/991417526.db2.gz DOXJPCONKMEFCS-GFCCVEGCSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1CCC(C)(C)C1)C2 ZINC001258607580 991523405 /nfs/dbraw/zinc/52/34/05/991523405.db2.gz LYVJVFYTOJGFSM-UMVBOHGHSA-N 2 1 236.403 2.449 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@H](C)Cc1cccnc1 ZINC001258613670 991542252 /nfs/dbraw/zinc/54/22/52/991542252.db2.gz VWDUMXITXPBLRA-CYBMUJFWSA-N 2 1 235.375 2.073 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)[C@H](C)Cc1cccnc1 ZINC001258632242 991577641 /nfs/dbraw/zinc/57/76/41/991577641.db2.gz WZBRXNCNBNDSCF-CQSZACIVSA-N 2 1 249.402 2.286 20 0 BEADMP CCC[N@H+](CCOC)C1CC[NH+](CCC)CC1 ZINC001258771680 991730166 /nfs/dbraw/zinc/73/01/66/991730166.db2.gz OFNDERBNQFPQGM-UHFFFAOYSA-N 2 1 242.407 2.219 20 0 BEADMP CCC[N@@H+](CCOC)C1CC[NH+](CCC)CC1 ZINC001258771680 991730179 /nfs/dbraw/zinc/73/01/79/991730179.db2.gz OFNDERBNQFPQGM-UHFFFAOYSA-N 2 1 242.407 2.219 20 0 BEADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CCC[C@@H](C)C1 ZINC001258806685 991808919 /nfs/dbraw/zinc/80/89/19/991808919.db2.gz FHNOMVKHGRSTNQ-ZYHUDNBSSA-N 2 1 221.348 2.444 20 0 BEADMP COCCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001319393513 991856145 /nfs/dbraw/zinc/85/61/45/991856145.db2.gz LUXCNYBRSVJNIM-MJBXVCDLSA-N 2 1 242.407 2.264 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C=C(N)C=CC1 ZINC001258902230 991896186 /nfs/dbraw/zinc/89/61/86/991896186.db2.gz BBLSFPFGIAKEJU-CYBMUJFWSA-N 2 1 237.391 2.169 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001258902843 991896733 /nfs/dbraw/zinc/89/67/33/991896733.db2.gz HEMQRVDPJUXSNB-KGLIPLIRSA-N 2 1 243.439 2.024 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCOCC1 ZINC001258906853 991897130 /nfs/dbraw/zinc/89/71/30/991897130.db2.gz BKDQHJAVXPMSKU-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP CCOC1CC([NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001320130295 992111197 /nfs/dbraw/zinc/11/11/97/992111197.db2.gz CQDSTLIIKMNNNM-NWINJMCUSA-N 2 1 240.391 2.016 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cccc(O)c1 ZINC001261423742 992292873 /nfs/dbraw/zinc/29/28/73/992292873.db2.gz CTBHTXYKQRGEMU-QWRGUYRKSA-N 2 1 222.332 2.041 20 0 BEADMP CC[C@H](C)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261490129 992338636 /nfs/dbraw/zinc/33/86/36/992338636.db2.gz MLVOSMUHZXZGNF-ZDUSSCGKSA-N 2 1 224.392 2.498 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H]3C3CC3)[C@H]2C1 ZINC001474756471 992511308 /nfs/dbraw/zinc/51/13/08/992511308.db2.gz GSWPMXFINWBMHY-ZQNQSHIBSA-N 2 1 234.387 2.105 20 0 BEADMP CC(C)C1CC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)C1 ZINC001474757407 992527148 /nfs/dbraw/zinc/52/71/48/992527148.db2.gz VSLRNXZGWWHELY-NNZPWHBESA-N 2 1 236.403 2.351 20 0 BEADMP C[C@]1([NH2+]C[C@H]2C[C@H]2c2ccccc2)CC[NH2+]C1 ZINC001573626305 992654134 /nfs/dbraw/zinc/65/41/34/992654134.db2.gz OQWNCBFJBIYVRM-ILXRZTDVSA-N 2 1 230.355 2.132 20 0 BEADMP Cc1cc(Cl)cc(C)c1C[NH2+]CCN ZINC001574136133 992811428 /nfs/dbraw/zinc/81/14/28/992811428.db2.gz BDIAJPRBXYJNBW-UHFFFAOYSA-N 2 1 212.724 2.005 20 0 BEADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C[C@@H]1F ZINC001262365148 992861298 /nfs/dbraw/zinc/86/12/98/992861298.db2.gz SWWBETSVDJVKFP-YPMHNXCESA-N 2 1 228.355 2.008 20 0 BEADMP COc1cccc(F)c1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC001262482353 992888015 /nfs/dbraw/zinc/88/80/15/992888015.db2.gz AIKDKIIPHVKXAP-ZJUUUORDSA-N 2 1 240.322 2.050 20 0 BEADMP C(C[N@H+]1CC[C@H](C2CCC2)C1)[C@H]1CC[NH2+]C1 ZINC001574773962 992900098 /nfs/dbraw/zinc/90/00/98/992900098.db2.gz HNPIXMNJYDCNHK-OCCSQVGLSA-N 2 1 222.376 2.108 20 0 BEADMP C(C[N@@H+](CC1CC1)C1CCC1)[C@@H]1CC[NH2+]C1 ZINC001574774811 992904460 /nfs/dbraw/zinc/90/44/60/992904460.db2.gz QLIACTVQCZTVGE-LBPRGKRZSA-N 2 1 222.376 2.251 20 0 BEADMP C([N@H+]1CCCC2(CCCC2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC001574800995 992913448 /nfs/dbraw/zinc/91/34/48/992913448.db2.gz MNRVDVBYTJRKHZ-HIFRSBDPSA-N 2 1 234.387 2.252 20 0 BEADMP CC(C)(C)OCCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC001575249799 993000418 /nfs/dbraw/zinc/00/04/18/993000418.db2.gz MNXAGVCYPAHVMR-JSGCOSHPSA-N 2 1 240.391 2.005 20 0 BEADMP CC(C)(C)OCCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC001575249799 993000422 /nfs/dbraw/zinc/00/04/22/993000422.db2.gz MNXAGVCYPAHVMR-JSGCOSHPSA-N 2 1 240.391 2.005 20 0 BEADMP CC(C)(C[NH3+])[NH2+]Cc1ccc(C(F)F)cc1 ZINC001575317893 993010116 /nfs/dbraw/zinc/01/01/16/993010116.db2.gz KWYOSRDTGCQDAH-UHFFFAOYSA-N 2 1 228.286 2.451 20 0 BEADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cccc2c[nH]nc21 ZINC001575544932 993067999 /nfs/dbraw/zinc/06/79/99/993067999.db2.gz KYQLYDAGSBUYAK-ZDUSSCGKSA-N 2 1 246.358 2.026 20 0 BEADMP C[C@@H]([NH2+]Cc1cnc2c(F)cccc2c1)[C@H](C)[NH3+] ZINC001576103146 993180493 /nfs/dbraw/zinc/18/04/93/993180493.db2.gz KZKJGIBPAXOGNK-VHSXEESVSA-N 2 1 247.317 2.199 20 0 BEADMP C[C@@H]1CCC[C@@H]([N@H+]2CCC[C@@H]([NH3+])CC2)C1 ZINC000378665199 993198703 /nfs/dbraw/zinc/19/87/03/993198703.db2.gz FQECACHFXDOELQ-JHJVBQTASA-N 2 1 210.365 2.378 20 0 BEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)[C@H]1CCCCO1 ZINC001576232679 993224053 /nfs/dbraw/zinc/22/40/53/993224053.db2.gz BGKZVZJFBSOFQR-FPMFFAJLSA-N 2 1 240.391 2.051 20 0 BEADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC001576380193 993286690 /nfs/dbraw/zinc/28/66/90/993286690.db2.gz JVUCDMYXCSTYKS-AVGNSLFASA-N 2 1 245.370 2.174 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](c3ccco3)C2)CC[NH2+]1 ZINC001576598824 993363995 /nfs/dbraw/zinc/36/39/95/993363995.db2.gz OMKDBGBLWYLWNI-HZSPNIEDSA-N 2 1 248.370 2.457 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)CC[NH2+]1 ZINC001576598526 993364888 /nfs/dbraw/zinc/36/48/88/993364888.db2.gz MGCDWEBVEFKCJJ-CZPYZCIJSA-N 2 1 248.414 2.495 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC=CC[C@H]2C)C[NH2+]1 ZINC001576671278 993389078 /nfs/dbraw/zinc/38/90/78/993389078.db2.gz WPVQXYUFPOUKFK-FDYHWXHSSA-N 2 1 208.349 2.071 20 0 BEADMP C[C@H]1C[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)CC[C@@H]1C ZINC001576732441 993408417 /nfs/dbraw/zinc/40/84/17/993408417.db2.gz UHEVJINALQQPCX-ZDEQEGDKSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC001576750614 993414919 /nfs/dbraw/zinc/41/49/19/993414919.db2.gz WCXSLATZKIFRNQ-AAVRWANBSA-N 2 1 222.376 2.319 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C[C@@H]1C ZINC000383850675 993524658 /nfs/dbraw/zinc/52/46/58/993524658.db2.gz LYDGBPPBNAKORF-SEBNEYGDSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C[C@@H]1C ZINC000383850675 993524665 /nfs/dbraw/zinc/52/46/65/993524665.db2.gz LYDGBPPBNAKORF-SEBNEYGDSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C[C@@H](C)C1 ZINC000383859956 993527787 /nfs/dbraw/zinc/52/77/87/993527787.db2.gz NPJJPHVDFFGFHV-XPABHHOTSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C[C@@H](C)C1 ZINC000383859956 993527795 /nfs/dbraw/zinc/52/77/95/993527795.db2.gz NPJJPHVDFFGFHV-XPABHHOTSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+]2CC3CCC2CC3)C[NH2+]1 ZINC000389717392 993763898 /nfs/dbraw/zinc/76/38/98/993763898.db2.gz OJHMESBQGBKMML-XVSSEFHLSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CC3CCC2CC3)C[NH2+]1 ZINC000389717392 993763906 /nfs/dbraw/zinc/76/39/06/993763906.db2.gz OJHMESBQGBKMML-XVSSEFHLSA-N 2 1 208.349 2.001 20 0 BEADMP CC(C)(C)CC[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000389740153 993764549 /nfs/dbraw/zinc/76/45/49/993764549.db2.gz VPCWOGZOTXRWRF-GFCCVEGCSA-N 2 1 212.381 2.483 20 0 BEADMP [NH3+]CCc1c[nH+]cn1C1CCC(F)(F)CC1 ZINC000390288732 993777412 /nfs/dbraw/zinc/77/74/12/993777412.db2.gz GOAUULLNHOONPG-UHFFFAOYSA-N 2 1 229.274 2.135 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC001333599608 994484994 /nfs/dbraw/zinc/48/49/94/994484994.db2.gz XLKOYRROHFVHTG-UKRRQHHQSA-N 2 1 232.371 2.268 20 0 BEADMP CC/C=C/CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001307986848 995515806 /nfs/dbraw/zinc/51/58/06/995515806.db2.gz DXYOLJINUXRKMC-WEHDMVHDSA-N 2 1 222.376 2.226 20 0 BEADMP CC/C=C/CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001307986848 995515816 /nfs/dbraw/zinc/51/58/16/995515816.db2.gz DXYOLJINUXRKMC-WEHDMVHDSA-N 2 1 222.376 2.226 20 0 BEADMP CC/C=C/CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001307986848 995515824 /nfs/dbraw/zinc/51/58/24/995515824.db2.gz DXYOLJINUXRKMC-WEHDMVHDSA-N 2 1 222.376 2.226 20 0 BEADMP CC(C)C[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001308171159 995583894 /nfs/dbraw/zinc/58/38/94/995583894.db2.gz QKIYMMGDKMOJRL-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP CC(C)C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001308171159 995583903 /nfs/dbraw/zinc/58/39/03/995583903.db2.gz QKIYMMGDKMOJRL-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP CC(C)C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001308171159 995583912 /nfs/dbraw/zinc/58/39/12/995583912.db2.gz QKIYMMGDKMOJRL-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP Cc1coc(C[NH2+]C[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001621551472 1170847508 /nfs/dbraw/zinc/84/75/08/1170847508.db2.gz JMQBXIZGQIAOSJ-CYBMUJFWSA-N 2 1 234.343 2.019 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@H]3CCC(C)(C)C3)[C@@H]2C1 ZINC001621569798 1170854086 /nfs/dbraw/zinc/85/40/86/1170854086.db2.gz FBDVZMFMTKOXJO-FQUUOJAGSA-N 2 1 236.403 2.495 20 0 BEADMP CC(C)(C)C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000031994539 1170880494 /nfs/dbraw/zinc/88/04/94/1170880494.db2.gz DGSZIPDFMDDZIR-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cc1ccco1 ZINC000049330295 1171688584 /nfs/dbraw/zinc/68/85/84/1171688584.db2.gz ARRUYDRKWOUUCN-NSHDSACASA-N 2 1 233.315 2.005 20 0 BEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2F)CC[N@@H+]1C ZINC000378684325 346808176 /nfs/dbraw/zinc/80/81/76/346808176.db2.gz DHMKHQAICNLNSD-WUHRBBMRSA-N 2 1 228.355 2.339 20 0 BEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2F)CC[N@H+]1C ZINC000378684325 346808179 /nfs/dbraw/zinc/80/81/79/346808179.db2.gz DHMKHQAICNLNSD-WUHRBBMRSA-N 2 1 228.355 2.339 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)c(C)s1 ZINC000050245566 178001528 /nfs/dbraw/zinc/00/15/28/178001528.db2.gz ZPKZAEYQPVVGID-NSHDSACASA-N 2 1 224.373 2.146 20 0 BEADMP Cc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1F ZINC000049943409 178019574 /nfs/dbraw/zinc/01/95/74/178019574.db2.gz LFAVYTUDLIOJHX-UHFFFAOYSA-N 2 1 236.334 2.318 20 0 BEADMP Cc1cccc(C)c1CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422943708 398159854 /nfs/dbraw/zinc/15/98/54/398159854.db2.gz RDHDVJUDBXXYEA-GOEBONIOSA-N 2 1 246.398 2.434 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C[C@H](C)c1ccc(F)cc1 ZINC000415118947 398163018 /nfs/dbraw/zinc/16/30/18/398163018.db2.gz DVFBXHWSDGVOFS-LBPRGKRZSA-N 2 1 238.350 2.471 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000050580331 178085037 /nfs/dbraw/zinc/08/50/37/178085037.db2.gz BBLWGLDWVPPZPC-GFCCVEGCSA-N 2 1 236.334 2.305 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCc2sccc21 ZINC000235463582 398194017 /nfs/dbraw/zinc/19/40/17/398194017.db2.gz IQXVDKIYPZXEMJ-SCZZXKLOSA-N 2 1 210.346 2.062 20 0 BEADMP CC(C)CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000336712920 398205070 /nfs/dbraw/zinc/20/50/70/398205070.db2.gz VHQWXCVFGQJFDM-XQQFMLRXSA-N 2 1 210.365 2.092 20 0 BEADMP CC(C)CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000336712922 398205416 /nfs/dbraw/zinc/20/54/16/398205416.db2.gz VHQWXCVFGQJFDM-YNEHKIRRSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCS[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000386621792 398213941 /nfs/dbraw/zinc/21/39/41/398213941.db2.gz YIDNHYPUVUPKCB-FIQHERPVSA-N 2 1 228.405 2.001 20 0 BEADMP Cc1cc(NC2CC[NH+](C(C)C)CC2)nc(C)[nH+]1 ZINC000298160689 178154116 /nfs/dbraw/zinc/15/41/16/178154116.db2.gz QOFDCKZKQGFCPE-UHFFFAOYSA-N 2 1 248.374 2.378 20 0 BEADMP C[C@H](c1ccncc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386507589 398211094 /nfs/dbraw/zinc/21/10/94/398211094.db2.gz LYQHTXFWGLELIF-YUELXQCFSA-N 2 1 245.370 2.074 20 0 BEADMP CCC(CC)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000040591997 168350227 /nfs/dbraw/zinc/35/02/27/168350227.db2.gz QQYVXTPZADTXJB-ZDUSSCGKSA-N 2 1 212.381 2.354 20 0 BEADMP Cc1cc(NC[C@H](C)C[NH+]2CCCC2)nc(C)[nH+]1 ZINC000058003325 178168395 /nfs/dbraw/zinc/16/83/95/178168395.db2.gz YEOIOKGQIREERA-NSHDSACASA-N 2 1 248.374 2.237 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)[C@@H]2CCCC[C@@H]12 ZINC000647880339 398223217 /nfs/dbraw/zinc/22/32/17/398223217.db2.gz JSMBQFLJUPNZAR-APIJFGDWSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1cc(N[C@H]2CCC[C@H]([NH+](C)C)C2)nc(C)[nH+]1 ZINC000267250880 178188856 /nfs/dbraw/zinc/18/88/56/178188856.db2.gz IJRNUCWREJCUOT-STQMWFEESA-N 2 1 248.374 2.378 20 0 BEADMP C[C@@H]1SCC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@H]1C ZINC000161946632 349519974 /nfs/dbraw/zinc/51/99/74/349519974.db2.gz JYMAPSHBYWEFBV-AVGNSLFASA-N 2 1 242.432 2.297 20 0 BEADMP C[C@@H]1SCC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC000161946632 349519976 /nfs/dbraw/zinc/51/99/76/349519976.db2.gz JYMAPSHBYWEFBV-AVGNSLFASA-N 2 1 242.432 2.297 20 0 BEADMP C[C@@H]1SCC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC000161946632 349519979 /nfs/dbraw/zinc/51/99/79/349519979.db2.gz JYMAPSHBYWEFBV-AVGNSLFASA-N 2 1 242.432 2.297 20 0 BEADMP CCC(CC)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352535032 168351109 /nfs/dbraw/zinc/35/11/09/168351109.db2.gz LOPZVRZKSLDAJV-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000031994493 168353592 /nfs/dbraw/zinc/35/35/92/168353592.db2.gz AIZFRWJHBNHFQQ-CYBMUJFWSA-N 2 1 210.365 2.108 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368314094 168352084 /nfs/dbraw/zinc/35/20/84/168352084.db2.gz FITYYNMNENDOTQ-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CCC(CC)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368314094 168352087 /nfs/dbraw/zinc/35/20/87/168352087.db2.gz FITYYNMNENDOTQ-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CCC(CC)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368314094 168352089 /nfs/dbraw/zinc/35/20/89/168352089.db2.gz FITYYNMNENDOTQ-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CCOc1ccccc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252779483 136226901 /nfs/dbraw/zinc/22/69/01/136226901.db2.gz LSZQQGXAFGYWEW-QWHCGFSZSA-N 2 1 248.370 2.254 20 0 BEADMP CCC(CC)C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336766866 168360285 /nfs/dbraw/zinc/36/02/85/168360285.db2.gz RZEQDBXTOAHZJN-UHFFFAOYSA-N 2 1 210.365 2.274 20 0 BEADMP C1=C[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000380800364 398251930 /nfs/dbraw/zinc/25/19/30/398251930.db2.gz HBLDTPIKOLNFJG-HZSPNIEDSA-N 2 1 220.360 2.027 20 0 BEADMP Cc1ccncc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000162043832 349556486 /nfs/dbraw/zinc/55/64/86/349556486.db2.gz AGGWRHBQOHETEJ-UHFFFAOYSA-N 2 1 247.386 2.352 20 0 BEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000378738794 346819700 /nfs/dbraw/zinc/81/97/00/346819700.db2.gz GWPMVDISSALGBP-FHUSYTEZSA-N 2 1 228.355 2.195 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000378738794 346819705 /nfs/dbraw/zinc/81/97/05/346819705.db2.gz GWPMVDISSALGBP-FHUSYTEZSA-N 2 1 228.355 2.195 20 0 BEADMP CC(C)CCC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000162088257 349560558 /nfs/dbraw/zinc/56/05/58/349560558.db2.gz DGNRVRFYFQIZNY-ZDUSSCGKSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000393529038 259314810 /nfs/dbraw/zinc/31/48/10/259314810.db2.gz VNTJYJUWWWZKQF-XVIXHAIJSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)CC[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000179308181 538955021 /nfs/dbraw/zinc/95/50/21/538955021.db2.gz KXLVTLPPFRZHAV-CYBMUJFWSA-N 2 1 212.381 2.449 20 0 BEADMP CC(C)CC[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000179308181 538955023 /nfs/dbraw/zinc/95/50/23/538955023.db2.gz KXLVTLPPFRZHAV-CYBMUJFWSA-N 2 1 212.381 2.449 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624124194 346854922 /nfs/dbraw/zinc/85/49/22/346854922.db2.gz ZSSHLMDDESGQDW-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C1CC1 ZINC000166568784 361853003 /nfs/dbraw/zinc/85/30/03/361853003.db2.gz RDXWWSFBUCLKJF-CYBMUJFWSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000162230766 349613676 /nfs/dbraw/zinc/61/36/76/349613676.db2.gz HBBJFUQGDKIZKQ-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000583934829 342728293 /nfs/dbraw/zinc/72/82/93/342728293.db2.gz XSOPXYLORMYQND-KBMXLJTQSA-N 2 1 244.382 2.461 20 0 BEADMP CN(C)C1CC([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000583332309 342735492 /nfs/dbraw/zinc/73/54/92/342735492.db2.gz CHQPRPIDPFEHOK-UHFFFAOYSA-N 2 1 243.354 2.350 20 0 BEADMP CCC(CC)[NH2+]C[C@H](C)[NH+](CC)CC ZINC000053485972 168388878 /nfs/dbraw/zinc/38/88/78/168388878.db2.gz AGQMRVFPHVAFOM-NSHDSACASA-N 2 1 200.370 2.495 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000530513424 342801765 /nfs/dbraw/zinc/80/17/65/342801765.db2.gz ZFQFYVBSKSHUKJ-KBPBESRZSA-N 2 1 233.359 2.131 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)s1 ZINC000126718272 398285371 /nfs/dbraw/zinc/28/53/71/398285371.db2.gz PQXMVIBZBVQHSA-GXSJLCMTSA-N 2 1 224.373 2.226 20 0 BEADMP c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868646 398286195 /nfs/dbraw/zinc/28/61/95/398286195.db2.gz QFWSRKSYZUNQFS-HUUCEWRRSA-N 2 1 230.355 2.403 20 0 BEADMP COc1cc(Cl)ccc1C[N@H+](C)CCC[NH3+] ZINC000381979422 398293746 /nfs/dbraw/zinc/29/37/46/398293746.db2.gz GQXRFQAHXODSOL-UHFFFAOYSA-N 2 1 242.750 2.129 20 0 BEADMP COc1cc(Cl)ccc1C[N@@H+](C)CCC[NH3+] ZINC000381979422 398293748 /nfs/dbraw/zinc/29/37/48/398293748.db2.gz GQXRFQAHXODSOL-UHFFFAOYSA-N 2 1 242.750 2.129 20 0 BEADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)CCS1 ZINC000192191311 538994137 /nfs/dbraw/zinc/99/41/37/538994137.db2.gz BMYJMQAULLPXID-OLZOCXBDSA-N 2 1 242.432 2.298 20 0 BEADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CCS1 ZINC000192191311 538994139 /nfs/dbraw/zinc/99/41/39/538994139.db2.gz BMYJMQAULLPXID-OLZOCXBDSA-N 2 1 242.432 2.298 20 0 BEADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CCS1 ZINC000192191311 538994141 /nfs/dbraw/zinc/99/41/41/538994141.db2.gz BMYJMQAULLPXID-OLZOCXBDSA-N 2 1 242.432 2.298 20 0 BEADMP CCC[C@H](C)[NH2+][C@@H](C)C[NH+](CC)CC ZINC000045689637 538993055 /nfs/dbraw/zinc/99/30/55/538993055.db2.gz YHERBNPYOVUDLK-RYUDHWBXSA-N 2 1 200.370 2.495 20 0 BEADMP CCCCC[C@@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000053031686 1172008260 /nfs/dbraw/zinc/00/82/60/1172008260.db2.gz XMLFMZOGZSBSIG-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP CCC1CCC([N@H+]2CC[C@H](C[NH2+]C)C2)CC1 ZINC000053031754 1172008778 /nfs/dbraw/zinc/00/87/78/1172008778.db2.gz CTGYQDWMXWBBBH-ROKHWSDSSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(F)(F)C2)CC[N@@H+]1C ZINC000390158564 539020228 /nfs/dbraw/zinc/02/02/28/539020228.db2.gz YGAAPLGFNXEQOO-GMTAPVOTSA-N 2 1 232.318 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(F)(F)C2)CC[N@H+]1C ZINC000390158564 539020230 /nfs/dbraw/zinc/02/02/30/539020230.db2.gz YGAAPLGFNXEQOO-GMTAPVOTSA-N 2 1 232.318 2.247 20 0 BEADMP CCC1CCC([N@H+]2CC[C@@H](C[NH2+]C)C2)CC1 ZINC000053031755 1172009751 /nfs/dbraw/zinc/00/97/51/1172009751.db2.gz CTGYQDWMXWBBBH-MOKVOYLWSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC(C)C2)C1 ZINC000232831953 342886554 /nfs/dbraw/zinc/88/65/54/342886554.db2.gz ZEDGBAYOCCVKCL-OTTFEQOBSA-N 2 1 210.365 2.105 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)CC(C)C)CC1 ZINC000037264404 342925806 /nfs/dbraw/zinc/92/58/06/342925806.db2.gz GAXDNNDCCQMCAE-LBPRGKRZSA-N 2 1 212.381 2.495 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)s1 ZINC000234158953 342917298 /nfs/dbraw/zinc/91/72/98/342917298.db2.gz GTPHBBKOHKEOJP-CYBMUJFWSA-N 2 1 238.400 2.481 20 0 BEADMP Fc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1F ZINC000560944321 398337589 /nfs/dbraw/zinc/33/75/89/398337589.db2.gz ZSAUCJXRPJVNPW-SNVBAGLBSA-N 2 1 240.297 2.054 20 0 BEADMP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000304623318 398339223 /nfs/dbraw/zinc/33/92/23/398339223.db2.gz UITGBJDHMJCIAQ-MNOVXSKESA-N 2 1 234.334 2.385 20 0 BEADMP CCCC[C@@H]([NH2+]CC[NH3+])c1ccccc1 ZINC000037712947 342942983 /nfs/dbraw/zinc/94/29/83/342942983.db2.gz NXDOQUCWBDLGBY-CYBMUJFWSA-N 2 1 206.333 2.466 20 0 BEADMP CC[C@H]([NH2+]CCN)c1ccc(Cl)cc1 ZINC000037712423 342943857 /nfs/dbraw/zinc/94/38/57/342943857.db2.gz WYIKXZDZUSIJNO-NSHDSACASA-N 2 1 212.724 2.339 20 0 BEADMP CC[C@H]([NH2+]CC[NH3+])c1ccc(Cl)cc1 ZINC000037712423 342943858 /nfs/dbraw/zinc/94/38/58/342943858.db2.gz WYIKXZDZUSIJNO-NSHDSACASA-N 2 1 212.724 2.339 20 0 BEADMP CC(C)c1ccc([C@H](C)[NH2+]CC[NH3+])cc1 ZINC000037712585 342944279 /nfs/dbraw/zinc/94/42/79/342944279.db2.gz GPOCHHPQUFZLLT-NSHDSACASA-N 2 1 206.333 2.419 20 0 BEADMP CC[C@H](C)[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000222664013 259333522 /nfs/dbraw/zinc/33/35/22/259333522.db2.gz HSBFDGTXXTXDQM-AGIUHOORSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000222664013 259333524 /nfs/dbraw/zinc/33/35/24/259333524.db2.gz HSBFDGTXXTXDQM-AGIUHOORSA-N 2 1 212.381 2.495 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccncc2)CC1 ZINC000020121033 342969638 /nfs/dbraw/zinc/96/96/38/342969638.db2.gz DEADMMXTYIKYPA-LBPRGKRZSA-N 2 1 233.359 2.217 20 0 BEADMP C[C@@H](CCc1ccco1)[NH2+]C1CC[NH+](C)CC1 ZINC000020144554 342971617 /nfs/dbraw/zinc/97/16/17/342971617.db2.gz FYUGFPVLXRLTFS-LBPRGKRZSA-N 2 1 236.359 2.285 20 0 BEADMP C[C@H](F)CC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000351875401 136261084 /nfs/dbraw/zinc/26/10/84/136261084.db2.gz LPONVKOGHCQZDG-QWRGUYRKSA-N 2 1 225.311 2.337 20 0 BEADMP C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000235481520 343039534 /nfs/dbraw/zinc/03/95/34/343039534.db2.gz MJFHYXJZBAOCAP-PWSUYJOCSA-N 2 1 224.373 2.021 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+]C(C1CC1)C1CC1 ZINC000562956475 323035111 /nfs/dbraw/zinc/03/51/11/323035111.db2.gz XSEQNCIJWAOKEF-GFCCVEGCSA-N 2 1 210.365 2.282 20 0 BEADMP Cc1nc(C[NH2+]Cc2ccc(C[NH3+])cc2)cs1 ZINC000049539027 343111225 /nfs/dbraw/zinc/11/12/25/343111225.db2.gz JKRRADKWIQMHGA-UHFFFAOYSA-N 2 1 247.367 2.200 20 0 BEADMP C[NH2+]C[C@H](C)CNc1[nH+]ccc2cc(F)ccc21 ZINC000576876657 365711102 /nfs/dbraw/zinc/71/11/02/365711102.db2.gz UFOOMIQAENQUPO-JTQLQIEISA-N 2 1 247.317 2.063 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634678167 343137515 /nfs/dbraw/zinc/13/75/15/343137515.db2.gz KYAUIIUAVNPOCS-OLZOCXBDSA-N 2 1 242.407 2.264 20 0 BEADMP CCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150758746 136273523 /nfs/dbraw/zinc/27/35/23/136273523.db2.gz MXUAUROJKDKHFC-CYBMUJFWSA-N 2 1 210.365 2.204 20 0 BEADMP C[N@H+](CCC[NH3+])Cc1ccccc1OC(F)F ZINC000123328416 343162003 /nfs/dbraw/zinc/16/20/03/343162003.db2.gz FAHNUZMECJGBKT-UHFFFAOYSA-N 2 1 244.285 2.069 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1ccccc1OC(F)F ZINC000123328416 343162004 /nfs/dbraw/zinc/16/20/04/343162004.db2.gz FAHNUZMECJGBKT-UHFFFAOYSA-N 2 1 244.285 2.069 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC12CCCC2)[C@H]1CCCC[NH2+]1 ZINC000387106852 343163997 /nfs/dbraw/zinc/16/39/97/343163997.db2.gz GLJLYQPPKLWPCG-YNEHKIRRSA-N 2 1 222.376 2.439 20 0 BEADMP Cc1ccc(CNC[C@H]2CC[N@H+](C(C)C)C2)nc1 ZINC000127013498 343172167 /nfs/dbraw/zinc/17/21/67/343172167.db2.gz MZOLHOGTSBSFDR-CQSZACIVSA-N 2 1 247.386 2.210 20 0 BEADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)nc1 ZINC000127013498 343172170 /nfs/dbraw/zinc/17/21/70/343172170.db2.gz MZOLHOGTSBSFDR-CQSZACIVSA-N 2 1 247.386 2.210 20 0 BEADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)nc1 ZINC000127013498 343172171 /nfs/dbraw/zinc/17/21/71/343172171.db2.gz MZOLHOGTSBSFDR-CQSZACIVSA-N 2 1 247.386 2.210 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000157112993 343199776 /nfs/dbraw/zinc/19/97/76/343199776.db2.gz DQBHNPPKCXVQBL-FZMZJTMJSA-N 2 1 236.334 2.446 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000157112993 343199777 /nfs/dbraw/zinc/19/97/77/343199777.db2.gz DQBHNPPKCXVQBL-FZMZJTMJSA-N 2 1 236.334 2.446 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CCC[C@@H](C)C1 ZINC000087472191 136281577 /nfs/dbraw/zinc/28/15/77/136281577.db2.gz WFJBAPHIRXNMPB-OLZOCXBDSA-N 2 1 212.381 2.354 20 0 BEADMP Cc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1C ZINC000034996633 343282912 /nfs/dbraw/zinc/28/29/12/343282912.db2.gz FGDIAVPNMXMSBH-UHFFFAOYSA-N 2 1 232.371 2.487 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)CC2CC2)CC1 ZINC000069662671 343288100 /nfs/dbraw/zinc/28/81/00/343288100.db2.gz CCPPFHAWOQBRAJ-LLVKDONJSA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000036169799 343311794 /nfs/dbraw/zinc/31/17/94/343311794.db2.gz SYOPIZOXFYVSRG-ZDUSSCGKSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H](C[NH2+]Cc1ccccn1)C[NH+]1CCCCC1 ZINC000037997547 343364957 /nfs/dbraw/zinc/36/49/57/343364957.db2.gz BNYQVALIFDXXQJ-AWEZNQCLSA-N 2 1 247.386 2.293 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@H]2CC=CCC2)CC1 ZINC000037248592 343340896 /nfs/dbraw/zinc/34/08/96/343340896.db2.gz MFBSMBSQWQYPHH-LBPRGKRZSA-N 2 1 208.349 2.027 20 0 BEADMP c1ccc2c(c1)CC[C@H]2C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000335649860 136304556 /nfs/dbraw/zinc/30/45/56/136304556.db2.gz JVSYDOKPDTVMNW-UONOGXRCSA-N 2 1 230.355 2.058 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H]1CCSC1 ZINC000349365427 136343277 /nfs/dbraw/zinc/34/32/77/136343277.db2.gz HVFDWRFPZRQRCG-CYBMUJFWSA-N 2 1 244.448 2.403 20 0 BEADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@H]1C[C@@H]1C ZINC000349406393 136344801 /nfs/dbraw/zinc/34/48/01/136344801.db2.gz LGHVPEGIVNULGG-UONOGXRCSA-N 2 1 224.392 2.450 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1C[C@H]1C ZINC000349408373 136344861 /nfs/dbraw/zinc/34/48/61/136344861.db2.gz PUZSUGRTCSQHDQ-DGCLKSJQSA-N 2 1 221.348 2.169 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1C[C@H]1C ZINC000349408373 136344862 /nfs/dbraw/zinc/34/48/62/136344862.db2.gz PUZSUGRTCSQHDQ-DGCLKSJQSA-N 2 1 221.348 2.169 20 0 BEADMP CC(C)=CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000335725613 136346869 /nfs/dbraw/zinc/34/68/69/136346869.db2.gz JLBMWRILPSOCTP-CQSZACIVSA-N 2 1 222.376 2.370 20 0 BEADMP Cc1nccn1CC[N@H+]1CCCC1(C)C ZINC000335714174 136338745 /nfs/dbraw/zinc/33/87/45/136338745.db2.gz JYMVLUIXCFXKKV-UHFFFAOYSA-N 2 1 207.321 2.066 20 0 BEADMP Cc1ccsc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000258748561 136373935 /nfs/dbraw/zinc/37/39/35/136373935.db2.gz ACCZTTQNTQRXLG-UWVGGRQHSA-N 2 1 210.346 2.026 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC2CCC2)C1 ZINC000398610776 488220811 /nfs/dbraw/zinc/22/08/11/488220811.db2.gz AVOZYRFECOVHSI-CYBMUJFWSA-N 2 1 210.365 2.108 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000087769959 343659969 /nfs/dbraw/zinc/65/99/69/343659969.db2.gz PTVZYJBTTRCRGL-GFCCVEGCSA-N 2 1 210.365 2.249 20 0 BEADMP CC/C=C/CC[N@H+]1CCc2nc[nH]c2C1 ZINC000625436236 343733663 /nfs/dbraw/zinc/73/36/63/343733663.db2.gz GTNCSNZHIJMTEX-ONEGZZNKSA-N 2 1 205.305 2.124 20 0 BEADMP C[N@@H+](CCC[NH2+]C1CCCCC1)C1CC1 ZINC000053499012 1172035423 /nfs/dbraw/zinc/03/54/23/1172035423.db2.gz JBEGKBKYIRNKMU-UHFFFAOYSA-N 2 1 210.365 2.393 20 0 BEADMP CC/C=C\CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000342251174 343726701 /nfs/dbraw/zinc/72/67/01/343726701.db2.gz RBWKHNLHBQMAJB-CFHLNLSMSA-N 2 1 210.365 2.226 20 0 BEADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)no1 ZINC000584232797 343776311 /nfs/dbraw/zinc/77/63/11/343776311.db2.gz YRKQXYDSWKWJSP-NSHDSACASA-N 2 1 245.326 2.293 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)c(C)c1 ZINC000044527746 343781546 /nfs/dbraw/zinc/78/15/46/343781546.db2.gz BQWKCBZTLUAYJR-CQSZACIVSA-N 2 1 232.371 2.474 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000336682617 537824087 /nfs/dbraw/zinc/82/40/87/537824087.db2.gz RZSDPTKQOUDGKQ-QWHCGFSZSA-N 2 1 221.348 2.216 20 0 BEADMP Fc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000031994589 343886881 /nfs/dbraw/zinc/88/68/81/343886881.db2.gz UHRPYGHCJNRVND-CQSZACIVSA-N 2 1 234.318 2.011 20 0 BEADMP Fc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000031994589 343886883 /nfs/dbraw/zinc/88/68/83/343886883.db2.gz UHRPYGHCJNRVND-CQSZACIVSA-N 2 1 234.318 2.011 20 0 BEADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000621777908 343903506 /nfs/dbraw/zinc/90/35/06/343903506.db2.gz IOPNTWHDPAVJLJ-JKSUJKDBSA-N 2 1 244.382 2.432 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621784434 343909644 /nfs/dbraw/zinc/90/96/44/343909644.db2.gz OVRSSUCOFLPBTB-WZRBSPASSA-N 2 1 246.345 2.481 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)nc1 ZINC000634732477 344107744 /nfs/dbraw/zinc/10/77/44/344107744.db2.gz HKPANHLDLBDLPP-CYBMUJFWSA-N 2 1 247.386 2.258 20 0 BEADMP CCC[C@H](C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)OC ZINC000395209467 362348023 /nfs/dbraw/zinc/34/80/23/362348023.db2.gz UYAVHCMSMASGMU-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP Cc1ccc(F)c(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000084946301 344200886 /nfs/dbraw/zinc/20/08/86/344200886.db2.gz KBKFOPCHMSZXOR-AAEUAGOBSA-N 2 1 236.334 2.446 20 0 BEADMP Cc1ccc(F)c(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000084946301 344200888 /nfs/dbraw/zinc/20/08/88/344200888.db2.gz KBKFOPCHMSZXOR-AAEUAGOBSA-N 2 1 236.334 2.446 20 0 BEADMP C/C=C/C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000384872782 344203357 /nfs/dbraw/zinc/20/33/57/344203357.db2.gz GNEZKFQGWJUIDO-OUDYMMNNSA-N 2 1 202.301 2.297 20 0 BEADMP CC[C@@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1C ZINC000309326011 347034277 /nfs/dbraw/zinc/03/42/77/347034277.db2.gz HYSMVXPDBPOAQH-OLZOCXBDSA-N 2 1 221.348 2.360 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCC1CCCCC1 ZINC000385145755 344356053 /nfs/dbraw/zinc/35/60/53/344356053.db2.gz NYLXBQFJSFWFEM-YPMHNXCESA-N 2 1 210.365 2.378 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCC1CCCCC1 ZINC000385145755 344356056 /nfs/dbraw/zinc/35/60/56/344356056.db2.gz NYLXBQFJSFWFEM-YPMHNXCESA-N 2 1 210.365 2.378 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCCc1ccccc1 ZINC000385167458 344357170 /nfs/dbraw/zinc/35/71/70/344357170.db2.gz DRHPSNXCCFRFPR-OCCSQVGLSA-N 2 1 218.344 2.041 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCCc1ccccc1 ZINC000385167458 344357172 /nfs/dbraw/zinc/35/71/72/344357172.db2.gz DRHPSNXCCFRFPR-OCCSQVGLSA-N 2 1 218.344 2.041 20 0 BEADMP CC(C)=CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000228317831 259375849 /nfs/dbraw/zinc/37/58/49/259375849.db2.gz SEWJFTQOHIWECQ-YNEHKIRRSA-N 2 1 210.365 2.271 20 0 BEADMP C[C@@H]([NH3+])C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000380760601 344438309 /nfs/dbraw/zinc/43/83/09/344438309.db2.gz WDDGWYWHBVUILV-RISCZKNCSA-N 2 1 218.344 2.343 20 0 BEADMP C[C@@H]([NH3+])C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000380760601 344438311 /nfs/dbraw/zinc/43/83/11/344438311.db2.gz WDDGWYWHBVUILV-RISCZKNCSA-N 2 1 218.344 2.343 20 0 BEADMP COCCCCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152339552 344521963 /nfs/dbraw/zinc/52/19/63/344521963.db2.gz RRILTIPHOJVMNA-AWEZNQCLSA-N 2 1 242.407 2.077 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000336782622 537852286 /nfs/dbraw/zinc/85/22/86/537852286.db2.gz YFWQRDMPWPRRMZ-YUTCNCBUSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccsc1 ZINC000049551918 344652976 /nfs/dbraw/zinc/65/29/76/344652976.db2.gz BOXIXYUSEIFEPV-SNVBAGLBSA-N 2 1 212.362 2.178 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC3(CCC3)C2)C1 ZINC000309970029 259378834 /nfs/dbraw/zinc/37/88/34/259378834.db2.gz PADGODGESXRASY-LBPRGKRZSA-N 2 1 222.376 2.251 20 0 BEADMP CCC[N@@H+](C[C@H](C)CC)C1CC[NH2+]CC1 ZINC000050427177 344820269 /nfs/dbraw/zinc/82/02/69/344820269.db2.gz HGIRIKHICIPJQN-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@]2(C)CCCS2)C1 ZINC000628174019 344894624 /nfs/dbraw/zinc/89/46/24/344894624.db2.gz UJQKNQIQNIRSLT-CHWSQXEVSA-N 2 1 242.432 2.156 20 0 BEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)C1CCCC1 ZINC000153786548 344973884 /nfs/dbraw/zinc/97/38/84/344973884.db2.gz LDUZYYJYPJSFOL-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP C(C1CC1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000156479959 345167245 /nfs/dbraw/zinc/16/72/45/345167245.db2.gz DTQSDWXJHTXFLV-CQSZACIVSA-N 2 1 222.376 2.347 20 0 BEADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993399 345190388 /nfs/dbraw/zinc/19/03/88/345190388.db2.gz SZDBDWLWLYZWFG-NSWUILHUSA-N 2 1 234.387 2.391 20 0 BEADMP C[C@H]1CC[N@H+](CC23CC(C2)CN3)C[C@@H](C)C1 ZINC000634993576 345190720 /nfs/dbraw/zinc/19/07/20/345190720.db2.gz YOOQFVKJAXRWSI-FEPKRQSRSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@H]1CC[N@@H+](CC23CC(C2)CN3)C[C@@H](C)C1 ZINC000634993576 345190723 /nfs/dbraw/zinc/19/07/23/345190723.db2.gz YOOQFVKJAXRWSI-FEPKRQSRSA-N 2 1 222.376 2.106 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000635024326 345224507 /nfs/dbraw/zinc/22/45/07/345224507.db2.gz WLOHBQLNPJQIOG-KGLIPLIRSA-N 2 1 241.338 2.204 20 0 BEADMP CCC(C)(C)CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000635024495 345225404 /nfs/dbraw/zinc/22/54/04/345225404.db2.gz YZGRLTSNRDXVSS-VXGBXAGGSA-N 2 1 212.381 2.400 20 0 BEADMP CC(C)[C@H](C)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000251303391 192370344 /nfs/dbraw/zinc/37/03/44/192370344.db2.gz ILCLDUCLYHAHAE-QWHCGFSZSA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)(C)[NH2+]CC[NH2+][C@]12C[C@H]1CCCC2 ZINC000635001511 345201103 /nfs/dbraw/zinc/20/11/03/345201103.db2.gz VDFXRTLONKIRKL-DGCLKSJQSA-N 2 1 210.365 2.297 20 0 BEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000635014059 345218617 /nfs/dbraw/zinc/21/86/17/345218617.db2.gz YHDFANGYTKGZDA-DOLQZWNJSA-N 2 1 236.281 2.187 20 0 BEADMP Cc1nccn1CC[N@H+]1CCCC2(CC2)CC1 ZINC000626114545 345314454 /nfs/dbraw/zinc/31/44/54/345314454.db2.gz KGHIZKUUGLJTFP-UHFFFAOYSA-N 2 1 233.359 2.458 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+]1CCCC2(CC2)CC1 ZINC000626114545 345314456 /nfs/dbraw/zinc/31/44/56/345314456.db2.gz KGHIZKUUGLJTFP-UHFFFAOYSA-N 2 1 233.359 2.458 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+]1CCCC2(CC2)CC1 ZINC000626114545 345314458 /nfs/dbraw/zinc/31/44/58/345314458.db2.gz KGHIZKUUGLJTFP-UHFFFAOYSA-N 2 1 233.359 2.458 20 0 BEADMP Cc1c[nH+]ccc1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158451538 345336914 /nfs/dbraw/zinc/33/69/14/345336914.db2.gz IVPOFJXYCKRAHG-VXGBXAGGSA-N 2 1 219.332 2.285 20 0 BEADMP Cc1ccc(C[N@H+](C)[C@H](CN)C2CC2)cc1C ZINC000159705815 345489594 /nfs/dbraw/zinc/48/95/94/345489594.db2.gz PBVDZSSIOLWWHJ-OAHLLOKOSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1ccc(C[N@@H+](C)[C@H](C[NH3+])C2CC2)cc1C ZINC000159705815 345489595 /nfs/dbraw/zinc/48/95/95/345489595.db2.gz PBVDZSSIOLWWHJ-OAHLLOKOSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1ccc(C[N@H+](C)[C@H](C[NH3+])C2CC2)cc1C ZINC000159705815 345489599 /nfs/dbraw/zinc/48/95/99/345489599.db2.gz PBVDZSSIOLWWHJ-OAHLLOKOSA-N 2 1 232.371 2.473 20 0 BEADMP C[NH+](C)CCNc1cc[nH+]c2ccsc21 ZINC000090998267 345578644 /nfs/dbraw/zinc/57/86/44/345578644.db2.gz ARCQDCWXMPNZNR-UHFFFAOYSA-N 2 1 221.329 2.270 20 0 BEADMP C[NH+]1CCC([NH2+]CCCC(C)(F)F)CC1 ZINC000390240282 259383398 /nfs/dbraw/zinc/38/33/98/259383398.db2.gz NMDINPBIJZNZJN-UHFFFAOYSA-N 2 1 220.307 2.106 20 0 BEADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccn(C)c2)C1 ZINC000093742125 345663768 /nfs/dbraw/zinc/66/37/68/345663768.db2.gz ZPEHYEOGJMBMIJ-HNNXBMFYSA-N 2 1 249.402 2.189 20 0 BEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccn(C)c2)C1 ZINC000093742125 345663771 /nfs/dbraw/zinc/66/37/71/345663771.db2.gz ZPEHYEOGJMBMIJ-HNNXBMFYSA-N 2 1 249.402 2.189 20 0 BEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccn(C)c2)C1 ZINC000093742125 345663774 /nfs/dbraw/zinc/66/37/74/345663774.db2.gz ZPEHYEOGJMBMIJ-HNNXBMFYSA-N 2 1 249.402 2.189 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccn(C)c2)C1 ZINC000093742125 345663776 /nfs/dbraw/zinc/66/37/76/345663776.db2.gz ZPEHYEOGJMBMIJ-HNNXBMFYSA-N 2 1 249.402 2.189 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccn(C)c2)C1 ZINC000093742125 345663780 /nfs/dbraw/zinc/66/37/80/345663780.db2.gz ZPEHYEOGJMBMIJ-HNNXBMFYSA-N 2 1 249.402 2.189 20 0 BEADMP C[C@H](C[NH2+][C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000215655283 345742434 /nfs/dbraw/zinc/74/24/34/345742434.db2.gz SEGOAWBBRHMOEU-RISCZKNCSA-N 2 1 236.334 2.271 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000225990018 345750849 /nfs/dbraw/zinc/75/08/49/345750849.db2.gz HDUCVYBMRHFVLC-CABZTGNLSA-N 2 1 210.296 2.214 20 0 BEADMP CCOc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])CC)cc1 ZINC000231188326 345751646 /nfs/dbraw/zinc/75/16/46/345751646.db2.gz HYIOFUWRKSUPLL-AAEUAGOBSA-N 2 1 236.359 2.473 20 0 BEADMP CCCCN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000149041903 345715441 /nfs/dbraw/zinc/71/54/41/345715441.db2.gz QOJBVSXGQVYQCH-UONOGXRCSA-N 2 1 218.344 2.213 20 0 BEADMP C[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@H](C)C2)C1 ZINC000201246902 345729682 /nfs/dbraw/zinc/72/96/82/345729682.db2.gz QRABICHAEBIDEA-LQOBQMSGSA-N 2 1 222.376 2.226 20 0 BEADMP C[C@@H]1CC[N@@H+](C/C=C\C[NH+]2CC[C@H](C)C2)C1 ZINC000201246902 345729686 /nfs/dbraw/zinc/72/96/86/345729686.db2.gz QRABICHAEBIDEA-LQOBQMSGSA-N 2 1 222.376 2.226 20 0 BEADMP C[C@@H]1CC[N@H+](C/C=C\C[NH+]2CC[C@H](C)C2)C1 ZINC000201246902 345729689 /nfs/dbraw/zinc/72/96/89/345729689.db2.gz QRABICHAEBIDEA-LQOBQMSGSA-N 2 1 222.376 2.226 20 0 BEADMP c1ccc([C@H]2CC[N@@H+]2C2CC[NH2+]CC2)cc1 ZINC000141962252 345861796 /nfs/dbraw/zinc/86/17/96/345861796.db2.gz FNHCIWSEFQNPSP-CQSZACIVSA-N 2 1 216.328 2.185 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000684367021 488301810 /nfs/dbraw/zinc/30/18/10/488301810.db2.gz JWZLPGBCEDXBGR-RDBSUJKOSA-N 2 1 242.407 2.264 20 0 BEADMP Cc1cccc(C)c1C[N@H+](C)C1CC[NH2+]CC1 ZINC000130884870 179033854 /nfs/dbraw/zinc/03/38/54/179033854.db2.gz QFADSRPPBCZKCV-UHFFFAOYSA-N 2 1 232.371 2.487 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000130891424 179035710 /nfs/dbraw/zinc/03/57/10/179035710.db2.gz CHZDBOHGPLXYHG-UKRRQHHQSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1ncc(C[N@@H+](C)CCCn2ccnc2C)o1 ZINC000628280170 346290386 /nfs/dbraw/zinc/29/03/86/346290386.db2.gz TVYRAVFNSJSUMA-UHFFFAOYSA-N 2 1 248.330 2.010 20 0 BEADMP Cc1ncc(C[N@@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000628280170 346290390 /nfs/dbraw/zinc/29/03/90/346290390.db2.gz TVYRAVFNSJSUMA-UHFFFAOYSA-N 2 1 248.330 2.010 20 0 BEADMP CC(C)C[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000052378553 346321715 /nfs/dbraw/zinc/32/17/15/346321715.db2.gz IKMDKKJRPXPMIM-STQMWFEESA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)C[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000052378553 346321716 /nfs/dbraw/zinc/32/17/16/346321716.db2.gz IKMDKKJRPXPMIM-STQMWFEESA-N 2 1 212.381 2.495 20 0 BEADMP Cc1cccc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)c1 ZINC000051890076 179065592 /nfs/dbraw/zinc/06/55/92/179065592.db2.gz GCBMHOKMXYPVIX-CQSZACIVSA-N 2 1 218.344 2.036 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000163425110 179080052 /nfs/dbraw/zinc/08/00/52/179080052.db2.gz PZQZIZURPBSUOU-UKRRQHHQSA-N 2 1 232.371 2.412 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000228204708 179082129 /nfs/dbraw/zinc/08/21/29/179082129.db2.gz BPSLYPCHBVNWEJ-GXTWGEPZSA-N 2 1 218.344 2.164 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1C ZINC000235368600 179081438 /nfs/dbraw/zinc/08/14/38/179081438.db2.gz PQMXPQAQYXAQCW-RISCZKNCSA-N 2 1 218.344 2.082 20 0 BEADMP Cc1cccc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1C ZINC000235368600 179081440 /nfs/dbraw/zinc/08/14/40/179081440.db2.gz PQMXPQAQYXAQCW-RISCZKNCSA-N 2 1 218.344 2.082 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1C ZINC000094338765 179081895 /nfs/dbraw/zinc/08/18/95/179081895.db2.gz NAHHXYBJRFSNQO-DOMZBBRYSA-N 2 1 232.371 2.473 20 0 BEADMP C[C@@H]1CCC(C)(C)[N@H+]1CC1CC[NH2+]CC1 ZINC000641794126 362734604 /nfs/dbraw/zinc/73/46/04/362734604.db2.gz QOLKEFOVXDPSBW-LLVKDONJSA-N 2 1 210.365 2.249 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H](C)C1CC1 ZINC000170794148 346451617 /nfs/dbraw/zinc/45/16/17/346451617.db2.gz SGKIQEQOQVEZRI-LBPRGKRZSA-N 2 1 212.381 2.449 20 0 BEADMP Cc1cccc(C[NH2+]C2CC[NH+](C)CC2)c1 ZINC000020133892 179090480 /nfs/dbraw/zinc/09/04/80/179090480.db2.gz FBLDNJMXNBXXPJ-UHFFFAOYSA-N 2 1 218.344 2.179 20 0 BEADMP CCC(F)(F)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000641800161 362750136 /nfs/dbraw/zinc/75/01/36/362750136.db2.gz XIMGPHYLJVYNQP-SNVBAGLBSA-N 2 1 220.307 2.093 20 0 BEADMP CCC(F)(F)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000641800161 362750140 /nfs/dbraw/zinc/75/01/40/362750140.db2.gz XIMGPHYLJVYNQP-SNVBAGLBSA-N 2 1 220.307 2.093 20 0 BEADMP COC[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000345163074 365821829 /nfs/dbraw/zinc/82/18/29/365821829.db2.gz TXPQUMGADNBVOA-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2OC)CC1 ZINC000038098206 346715369 /nfs/dbraw/zinc/71/53/69/346715369.db2.gz PJBUCCHUDCLEEX-KBPBESRZSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1cccc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)n1 ZINC000163889370 179159081 /nfs/dbraw/zinc/15/90/81/179159081.db2.gz CSKMJCNNNPVYLP-RYUDHWBXSA-N 2 1 231.343 2.427 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000387970943 347138537 /nfs/dbraw/zinc/13/85/37/347138537.db2.gz GBNXKDXUPSABQK-PDWCTOEPSA-N 2 1 224.392 2.351 20 0 BEADMP Cc1ccsc1C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622006302 370657039 /nfs/dbraw/zinc/65/70/39/370657039.db2.gz XQVWAWVLLAWRDD-AAEUAGOBSA-N 2 1 236.384 2.370 20 0 BEADMP Cc1ccsc1C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622006302 370657041 /nfs/dbraw/zinc/65/70/41/370657041.db2.gz XQVWAWVLLAWRDD-AAEUAGOBSA-N 2 1 236.384 2.370 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)s1 ZINC000622005668 370657505 /nfs/dbraw/zinc/65/75/05/370657505.db2.gz JIPWFJWHIGUQTG-WCQYABFASA-N 2 1 236.384 2.370 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)s1 ZINC000622005668 370657513 /nfs/dbraw/zinc/65/75/13/370657513.db2.gz JIPWFJWHIGUQTG-WCQYABFASA-N 2 1 236.384 2.370 20 0 BEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC=CCC1 ZINC000679323817 488333463 /nfs/dbraw/zinc/33/34/63/488333463.db2.gz LWLGGUUAECEBGR-ZDUSSCGKSA-N 2 1 208.349 2.123 20 0 BEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC=CCC1 ZINC000679323817 488333467 /nfs/dbraw/zinc/33/34/67/488333467.db2.gz LWLGGUUAECEBGR-ZDUSSCGKSA-N 2 1 208.349 2.123 20 0 BEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC=CCC1 ZINC000679323817 488333472 /nfs/dbraw/zinc/33/34/72/488333472.db2.gz LWLGGUUAECEBGR-ZDUSSCGKSA-N 2 1 208.349 2.123 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C2CC(F)(F)C2)[C@H]2CCC[C@H]21 ZINC000353589576 187372820 /nfs/dbraw/zinc/37/28/20/187372820.db2.gz QPASCCIQXJCPGO-GRYCIOLGSA-N 2 1 244.329 2.247 20 0 BEADMP [NH3+]CCOCC[N@H+]1CCCC2(CCCCC2)C1 ZINC000357093422 187376809 /nfs/dbraw/zinc/37/68/09/187376809.db2.gz YHRKQJPXUIAWIK-UHFFFAOYSA-N 2 1 240.391 2.008 20 0 BEADMP Cc1ccccc1C[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000051890028 179270305 /nfs/dbraw/zinc/27/03/05/179270305.db2.gz FROQAXUHRNBWRW-CYBMUJFWSA-N 2 1 218.344 2.036 20 0 BEADMP Cc1ccccc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000172196756 179275141 /nfs/dbraw/zinc/27/51/41/179275141.db2.gz CLAZIRNDKZUPEC-AWEZNQCLSA-N 2 1 232.371 2.379 20 0 BEADMP Cc1ccccc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000235794612 179276339 /nfs/dbraw/zinc/27/63/39/179276339.db2.gz RFWDTOXZWHSJPY-AWEZNQCLSA-N 2 1 218.344 2.166 20 0 BEADMP Cc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000049712986 179276894 /nfs/dbraw/zinc/27/68/94/179276894.db2.gz PRFUTTUEDNVVQT-GXTWGEPZSA-N 2 1 218.344 2.307 20 0 BEADMP Cc1ccccc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228201693 179277195 /nfs/dbraw/zinc/27/71/95/179277195.db2.gz HXBYFTYRGJLPQR-GXTWGEPZSA-N 2 1 218.344 2.164 20 0 BEADMP Cc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000043327216 179290462 /nfs/dbraw/zinc/29/04/62/179290462.db2.gz MZWRKSPXORDPLV-ZFWWWQNUSA-N 2 1 232.371 2.268 20 0 BEADMP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043327214 179291436 /nfs/dbraw/zinc/29/14/36/179291436.db2.gz MZWRKSPXORDPLV-DZGCQCFKSA-N 2 1 232.371 2.268 20 0 BEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(F)c1 ZINC000401792059 347902594 /nfs/dbraw/zinc/90/25/94/347902594.db2.gz XCXHTVAVBVUAGN-NSHDSACASA-N 2 1 247.317 2.453 20 0 BEADMP CS[C@H]1CC[C@H]1[NH2+]CCC[N@@H+](C)CC(C)C ZINC000593647109 347926369 /nfs/dbraw/zinc/92/63/69/347926369.db2.gz WJJXMMPBUDBPJV-OLZOCXBDSA-N 2 1 244.448 2.448 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@H+](CCSCC[NH+](C)C)C1 ZINC000594889276 348123026 /nfs/dbraw/zinc/12/30/26/348123026.db2.gz AJEBHLHOBDLZQB-BETUJISGSA-N 2 1 244.448 2.259 20 0 BEADMP C[C@H](CSCCF)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000595011412 348163577 /nfs/dbraw/zinc/16/35/77/348163577.db2.gz DQSVNXMWCQQOOM-PWSUYJOCSA-N 2 1 248.411 2.007 20 0 BEADMP Cc1cccnc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000161853842 179371996 /nfs/dbraw/zinc/37/19/96/179371996.db2.gz XOPUJGVGOXSFQW-ZDUSSCGKSA-N 2 1 233.359 2.093 20 0 BEADMP CCSCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595508855 348265237 /nfs/dbraw/zinc/26/52/37/348265237.db2.gz YVXCRVKBVZAPEO-ZDUSSCGKSA-N 2 1 242.432 2.157 20 0 BEADMP CCSCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595508855 348265238 /nfs/dbraw/zinc/26/52/38/348265238.db2.gz YVXCRVKBVZAPEO-ZDUSSCGKSA-N 2 1 242.432 2.157 20 0 BEADMP CCSCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595508855 348265241 /nfs/dbraw/zinc/26/52/41/348265241.db2.gz YVXCRVKBVZAPEO-ZDUSSCGKSA-N 2 1 242.432 2.157 20 0 BEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@H]2C)C1 ZINC000336691812 187393439 /nfs/dbraw/zinc/39/34/39/187393439.db2.gz WYZJPLUFHVWFMT-MCIONIFRSA-N 2 1 224.392 2.352 20 0 BEADMP CC[C@H](C[NH2+]CC1(C)CC1)[NH+]1CCCC1 ZINC000309096772 349984916 /nfs/dbraw/zinc/98/49/16/349984916.db2.gz FDNNQGMGGJZSGS-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CS1 ZINC000251741294 362905413 /nfs/dbraw/zinc/90/54/13/362905413.db2.gz CUGZNQJZDZAWFE-VOAKCMCISA-N 2 1 240.416 2.097 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CS1 ZINC000251741294 362905415 /nfs/dbraw/zinc/90/54/15/362905415.db2.gz CUGZNQJZDZAWFE-VOAKCMCISA-N 2 1 240.416 2.097 20 0 BEADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCC1 ZINC000623487582 362911062 /nfs/dbraw/zinc/91/10/62/362911062.db2.gz IXYHMTWJFWMNNS-GFCCVEGCSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]1CCN(c2cc[nH+]cc2Cl)C[C@H]1C[NH3+] ZINC000253189714 348355516 /nfs/dbraw/zinc/35/55/16/348355516.db2.gz KMNVXPKBCSTYRK-VHSXEESVSA-N 2 1 239.750 2.156 20 0 BEADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000401879271 348435428 /nfs/dbraw/zinc/43/54/28/348435428.db2.gz PMJCMUYUSCIUMB-YPMHNXCESA-N 2 1 235.375 2.377 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+]CCSCc1ccccc1 ZINC000596103216 348440435 /nfs/dbraw/zinc/44/04/35/348440435.db2.gz CYLFKLDJZCBMMB-GFCCVEGCSA-N 2 1 238.400 2.117 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+]C1CCC(CSC)CC1 ZINC000596653756 348607964 /nfs/dbraw/zinc/60/79/64/348607964.db2.gz DTFFGRNPVDFTTJ-UNXYVOJBSA-N 2 1 230.421 2.106 20 0 BEADMP C[N@@H+](CC1CC(C)(C)C1)C1CC[NH2+]CC1 ZINC000530211975 323212143 /nfs/dbraw/zinc/21/21/43/323212143.db2.gz PMTRQIFTULTFRI-UHFFFAOYSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CSC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623521704 362943055 /nfs/dbraw/zinc/94/30/55/362943055.db2.gz CJTQDWCIBSNVHW-IJLUTSLNSA-N 2 1 242.432 2.200 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000252782512 349204531 /nfs/dbraw/zinc/20/45/31/349204531.db2.gz NJYPBLKGXSXSQP-WDEREUQCSA-N 2 1 238.400 2.480 20 0 BEADMP CC[NH2+]CC[NH2+]C[C@H](CC)c1ccccc1 ZINC000161296056 349417210 /nfs/dbraw/zinc/41/72/10/349417210.db2.gz QSIJSAWQXADOLE-ZDUSSCGKSA-N 2 1 220.360 2.379 20 0 BEADMP C[C@H](CC1CC1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000132372994 191030836 /nfs/dbraw/zinc/03/08/36/191030836.db2.gz GDEZDZOWSQBSIV-YPMHNXCESA-N 2 1 222.376 2.249 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304585042 350157758 /nfs/dbraw/zinc/15/77/58/350157758.db2.gz OSHFETMEHCKCDC-FQUUOJAGSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000053656073 490374931 /nfs/dbraw/zinc/37/49/31/490374931.db2.gz TXODJEAQRABGOV-CYBMUJFWSA-N 2 1 210.365 2.106 20 0 BEADMP C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000306073399 191073885 /nfs/dbraw/zinc/07/38/85/191073885.db2.gz DNFJOCUWIWKGKC-LXFSFDBISA-N 2 1 234.387 2.391 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C)[C@@H]1C ZINC000336691813 180239555 /nfs/dbraw/zinc/23/95/55/180239555.db2.gz CIIKWGOAKQHAPF-RYUDHWBXSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000336691813 180239558 /nfs/dbraw/zinc/23/95/58/180239558.db2.gz CIIKWGOAKQHAPF-RYUDHWBXSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC(C)(C)C1 ZINC000336709865 180240058 /nfs/dbraw/zinc/24/00/58/180240058.db2.gz XQFCGZACVAACJH-UHFFFAOYSA-N 2 1 221.348 2.314 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC(C)(C)C1 ZINC000336709865 180240061 /nfs/dbraw/zinc/24/00/61/180240061.db2.gz XQFCGZACVAACJH-UHFFFAOYSA-N 2 1 221.348 2.314 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C)C1 ZINC000336707517 180233770 /nfs/dbraw/zinc/23/37/70/180233770.db2.gz SPNIKIGHRPSVSK-LBPRGKRZSA-N 2 1 221.348 2.314 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C)C1 ZINC000336707517 180233771 /nfs/dbraw/zinc/23/37/71/180233771.db2.gz SPNIKIGHRPSVSK-LBPRGKRZSA-N 2 1 221.348 2.314 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc[nH]c1 ZINC000175713052 180235192 /nfs/dbraw/zinc/23/51/92/180235192.db2.gz YQYDBLQKGLEGFK-UHFFFAOYSA-N 2 1 232.331 2.090 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccoc1 ZINC000336692801 180237074 /nfs/dbraw/zinc/23/70/74/180237074.db2.gz ITZKXTKTBYJZOW-UHFFFAOYSA-N 2 1 233.315 2.307 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccoc1 ZINC000336692801 180237076 /nfs/dbraw/zinc/23/70/76/180237076.db2.gz ITZKXTKTBYJZOW-UHFFFAOYSA-N 2 1 233.315 2.307 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[C@H](C)C1 ZINC000309796630 180248297 /nfs/dbraw/zinc/24/82/97/180248297.db2.gz QICDQAUXGZIYBF-AAEUAGOBSA-N 2 1 221.348 2.360 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)C1CCC1 ZINC000357045322 180250376 /nfs/dbraw/zinc/25/03/76/180250376.db2.gz WKQLSMVMMKRFCN-LLVKDONJSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)C1CCC1 ZINC000357045322 180250378 /nfs/dbraw/zinc/25/03/78/180250378.db2.gz WKQLSMVMMKRFCN-LLVKDONJSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000271362445 180252093 /nfs/dbraw/zinc/25/20/93/180252093.db2.gz IVLMJYKRKPJFPI-LBPRGKRZSA-N 2 1 244.342 2.280 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)c1ccncc1 ZINC000271362445 180252095 /nfs/dbraw/zinc/25/20/95/180252095.db2.gz IVLMJYKRKPJFPI-LBPRGKRZSA-N 2 1 244.342 2.280 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC12CCC2 ZINC000336709228 180241645 /nfs/dbraw/zinc/24/16/45/180241645.db2.gz WJXIKYHFCSQWRE-UHFFFAOYSA-N 2 1 219.332 2.210 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC12CCC2 ZINC000336709228 180241647 /nfs/dbraw/zinc/24/16/47/180241647.db2.gz WJXIKYHFCSQWRE-UHFFFAOYSA-N 2 1 219.332 2.210 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000336696830 180242362 /nfs/dbraw/zinc/24/23/62/180242362.db2.gz HEQVCIWNCYKOCS-NWDGAFQWSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)C[C@H]1C ZINC000336696830 180242363 /nfs/dbraw/zinc/24/23/63/180242363.db2.gz HEQVCIWNCYKOCS-NWDGAFQWSA-N 2 1 221.348 2.312 20 0 BEADMP CC(C)C1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC000054557522 1172123594 /nfs/dbraw/zinc/12/35/94/1172123594.db2.gz QLAHCAVGNQNQIC-CPCZMJQVSA-N 2 1 210.365 2.234 20 0 BEADMP CC(C)C1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC000054557522 1172123596 /nfs/dbraw/zinc/12/35/96/1172123596.db2.gz QLAHCAVGNQNQIC-CPCZMJQVSA-N 2 1 210.365 2.234 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000338005000 180263211 /nfs/dbraw/zinc/26/32/11/180263211.db2.gz ZNRRDDBGKUAQQH-KBPBESRZSA-N 2 1 233.359 2.360 20 0 BEADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000224117061 350308901 /nfs/dbraw/zinc/30/89/01/350308901.db2.gz RNTPZQVZSQFYDG-DRZSPHRISA-N 2 1 210.365 2.247 20 0 BEADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000224117061 350308904 /nfs/dbraw/zinc/30/89/04/350308904.db2.gz RNTPZQVZSQFYDG-DRZSPHRISA-N 2 1 210.365 2.247 20 0 BEADMP CCC(C)(C)[N@@H+](C)C[C@@H](N)CC(C)C ZINC000069015565 350321377 /nfs/dbraw/zinc/32/13/77/350321377.db2.gz YUIQLUVQRVLCPZ-NSHDSACASA-N 2 1 200.370 2.480 20 0 BEADMP CCC(C)(C)N(C)C[C@@H]([NH3+])CC(C)C ZINC000069015565 350321379 /nfs/dbraw/zinc/32/13/79/350321379.db2.gz YUIQLUVQRVLCPZ-NSHDSACASA-N 2 1 200.370 2.480 20 0 BEADMP Cc1ncsc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000126798394 180311994 /nfs/dbraw/zinc/31/19/94/180311994.db2.gz CRGATJWUYCUHOV-NSHDSACASA-N 2 1 241.404 2.257 20 0 BEADMP Cc1ncsc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000126798394 180311996 /nfs/dbraw/zinc/31/19/96/180311996.db2.gz CRGATJWUYCUHOV-NSHDSACASA-N 2 1 241.404 2.257 20 0 BEADMP CCCC[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000309187069 323324895 /nfs/dbraw/zinc/32/48/95/323324895.db2.gz PABHYPRJNZUPGR-LLVKDONJSA-N 2 1 209.337 2.131 20 0 BEADMP CC[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000336645800 350415524 /nfs/dbraw/zinc/41/55/24/350415524.db2.gz IYLMZJBEEUMYET-OLZOCXBDSA-N 2 1 210.365 2.345 20 0 BEADMP CC[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000336645800 350415526 /nfs/dbraw/zinc/41/55/26/350415526.db2.gz IYLMZJBEEUMYET-OLZOCXBDSA-N 2 1 210.365 2.345 20 0 BEADMP CC[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000336645800 350415529 /nfs/dbraw/zinc/41/55/29/350415529.db2.gz IYLMZJBEEUMYET-OLZOCXBDSA-N 2 1 210.365 2.345 20 0 BEADMP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623539613 362958393 /nfs/dbraw/zinc/95/83/93/362958393.db2.gz WODMTWJTWAQTRQ-YNEHKIRRSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]1CC[N@@H+](CCC[NH3+])[C@@H]2CCCC[C@H]12 ZINC000577481859 365963777 /nfs/dbraw/zinc/96/37/77/365963777.db2.gz GGONNHQUKJXBBT-JHJVBQTASA-N 2 1 210.365 2.236 20 0 BEADMP CC(C)(C)[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000228736683 191107326 /nfs/dbraw/zinc/10/73/26/191107326.db2.gz HCTCUBLMJXWPCU-OCCSQVGLSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)O1 ZINC000623545186 362965156 /nfs/dbraw/zinc/96/51/56/362965156.db2.gz AAXAGOUQTLARPD-FRRDWIJNSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(C)c1 ZINC000231440473 350624183 /nfs/dbraw/zinc/62/41/83/350624183.db2.gz XMMRKWIARHBJQY-YPMHNXCESA-N 2 1 206.333 2.383 20 0 BEADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335619800 538097778 /nfs/dbraw/zinc/09/77/78/538097778.db2.gz NASYOPGEMZCVST-OLZOCXBDSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1C[C@H]1CCCC[C@H]1C ZINC000346689620 365992579 /nfs/dbraw/zinc/99/25/79/365992579.db2.gz ZQPUSVQSLFJNHX-XJFOESAGSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000252703302 538099326 /nfs/dbraw/zinc/09/93/26/538099326.db2.gz SDFPXNQBIRETAY-BNOWGMLFSA-N 2 1 222.376 2.249 20 0 BEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCS1 ZINC000336667818 191124624 /nfs/dbraw/zinc/12/46/24/191124624.db2.gz QLNDSTJZBWLMTJ-CYBMUJFWSA-N 2 1 240.416 2.098 20 0 BEADMP CCc1cccc(C[NH2+]CCc2c[nH+]cn2C)c1 ZINC000623086113 350843239 /nfs/dbraw/zinc/84/32/39/350843239.db2.gz XSLSAAUWOLGXBG-UHFFFAOYSA-N 2 1 243.354 2.315 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2COC(C)(C)C2)CC1(C)C ZINC000623561960 362986305 /nfs/dbraw/zinc/98/63/05/362986305.db2.gz DAXNVZBBCLDNEG-VXGBXAGGSA-N 2 1 240.391 2.016 20 0 BEADMP CCc1nc(C)cc(N[C@@H]2CC[N@H+](C(C)C)C2)n1 ZINC000283786079 351069744 /nfs/dbraw/zinc/06/97/44/351069744.db2.gz RESOXVJTFCSILV-GFCCVEGCSA-N 2 1 248.374 2.242 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336650895 191133438 /nfs/dbraw/zinc/13/34/38/191133438.db2.gz UFIONESPTZCDTM-ZDUSSCGKSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000336650895 191133439 /nfs/dbraw/zinc/13/34/39/191133439.db2.gz UFIONESPTZCDTM-ZDUSSCGKSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000336650895 191133442 /nfs/dbraw/zinc/13/34/42/191133442.db2.gz UFIONESPTZCDTM-ZDUSSCGKSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)[C@H](C[NH2+]C[C@H]1C[C@@H]1C)[NH+]1CCCC1 ZINC000336685307 187479005 /nfs/dbraw/zinc/47/90/05/187479005.db2.gz TYYHCCHHQMINLV-MJBXVCDLSA-N 2 1 224.392 2.352 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CC2(C)C)CC1 ZINC000336723818 351349499 /nfs/dbraw/zinc/34/94/99/351349499.db2.gz AXKINCDIUIDXES-AAEUAGOBSA-N 2 1 224.392 2.495 20 0 BEADMP CCN1CCC([N@@H+](C)C[C@](C)(CC)OC)CC1 ZINC000637886897 351756525 /nfs/dbraw/zinc/75/65/25/351756525.db2.gz MGWZPFMPDAIEJJ-AWEZNQCLSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+]1CCC([N@H+](C)C[C@](C)(CC)OC)CC1 ZINC000637886897 351756530 /nfs/dbraw/zinc/75/65/30/351756530.db2.gz MGWZPFMPDAIEJJ-AWEZNQCLSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)C[C@](C)(CC)OC)CC1 ZINC000637886897 351756533 /nfs/dbraw/zinc/75/65/33/351756533.db2.gz MGWZPFMPDAIEJJ-AWEZNQCLSA-N 2 1 242.407 2.218 20 0 BEADMP CCCCOCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397338384 351823306 /nfs/dbraw/zinc/82/33/06/351823306.db2.gz ZAYQNTLECAVDDW-MCIONIFRSA-N 2 1 242.407 2.108 20 0 BEADMP CCC[C@H](C[NH+]1CCC([NH2+]C(C)C)CC1)OC ZINC000637999501 351874792 /nfs/dbraw/zinc/87/47/92/351874792.db2.gz ONQPSOAIAAGFLY-CQSZACIVSA-N 2 1 242.407 2.264 20 0 BEADMP C[NH+](C)C1(C[NH2+]CCC[C@H]2CCO2)CCCC1 ZINC000638306637 352136115 /nfs/dbraw/zinc/13/61/15/352136115.db2.gz MTDQEFNCNSGFDJ-ZDUSSCGKSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@]1(C[NH2+]Cc2ccccc2F)CCC[NH2+]C1 ZINC000414900220 352176317 /nfs/dbraw/zinc/17/63/17/352176317.db2.gz IADOTAZGNGWWOD-AWEZNQCLSA-N 2 1 236.334 2.305 20 0 BEADMP C([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638368362 352179577 /nfs/dbraw/zinc/17/95/77/352179577.db2.gz JQJCAVJUMOGHIF-AICCOOGYSA-N 2 1 234.387 2.249 20 0 BEADMP C([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638368362 352179580 /nfs/dbraw/zinc/17/95/80/352179580.db2.gz JQJCAVJUMOGHIF-AICCOOGYSA-N 2 1 234.387 2.249 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000638384403 352195018 /nfs/dbraw/zinc/19/50/18/352195018.db2.gz ACZWNWWXSBQDPG-KOLCDFICSA-N 2 1 243.301 2.215 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CS[C@@H](C)C2)C1 ZINC000638409122 352218621 /nfs/dbraw/zinc/21/86/21/352218621.db2.gz JIAWTVFEPBANFB-YNEHKIRRSA-N 2 1 242.432 2.202 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CS[C@H](C)C2)C1 ZINC000638451117 352258034 /nfs/dbraw/zinc/25/80/34/352258034.db2.gz LHTYOAFJIPPION-UPJWGTAASA-N 2 1 242.432 2.202 20 0 BEADMP CCOC1CC(C[NH2+]CC[N@H+](C)[C@H](C)CC)C1 ZINC000638503457 352326266 /nfs/dbraw/zinc/32/62/66/352326266.db2.gz ISSHZXHPHHCXAS-IYXRBSQSSA-N 2 1 242.407 2.121 20 0 BEADMP CCOC1CC(C[NH2+]CC[N@@H+](C)[C@H](C)CC)C1 ZINC000638503457 352326269 /nfs/dbraw/zinc/32/62/69/352326269.db2.gz ISSHZXHPHHCXAS-IYXRBSQSSA-N 2 1 242.407 2.121 20 0 BEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2C)[C@@H](C)C1 ZINC000607956980 352468514 /nfs/dbraw/zinc/46/85/14/352468514.db2.gz CGHGZJKJCROMMM-SWLSCSKDSA-N 2 1 247.386 2.210 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2C)[C@@H](C)C1 ZINC000607956980 352468515 /nfs/dbraw/zinc/46/85/15/352468515.db2.gz CGHGZJKJCROMMM-SWLSCSKDSA-N 2 1 247.386 2.210 20 0 BEADMP COc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1Cl ZINC000415004008 352478818 /nfs/dbraw/zinc/47/88/18/352478818.db2.gz HAPZCHOCBSQCII-DTWKUNHWSA-N 2 1 242.750 2.174 20 0 BEADMP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@H]2C[C@H]2C)C1 ZINC000252952206 538103603 /nfs/dbraw/zinc/10/36/03/538103603.db2.gz FNPKKXROKDRZFD-FRRDWIJNSA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2C)C1 ZINC000252952206 538103605 /nfs/dbraw/zinc/10/36/05/538103605.db2.gz FNPKKXROKDRZFD-FRRDWIJNSA-N 2 1 210.365 2.105 20 0 BEADMP C[N@@H+](CCCC[NH2+]Cc1cccnc1)C1CC1 ZINC000453591606 352586637 /nfs/dbraw/zinc/58/66/37/352586637.db2.gz CVZTUPMWMXJPJH-UHFFFAOYSA-N 2 1 233.359 2.046 20 0 BEADMP C[C@@H]1C[N@H+](C)C[C@H]1NCc1cc(F)cc(F)c1 ZINC000334267981 352903974 /nfs/dbraw/zinc/90/39/74/352903974.db2.gz OFEGHOZTAWSKLH-NOZJJQNGSA-N 2 1 240.297 2.005 20 0 BEADMP C[C@@H]1C[N@@H+](C)C[C@H]1NCc1cc(F)cc(F)c1 ZINC000334267981 352903979 /nfs/dbraw/zinc/90/39/79/352903979.db2.gz OFEGHOZTAWSKLH-NOZJJQNGSA-N 2 1 240.297 2.005 20 0 BEADMP C[C@H]1Cc2ccccc2C[N@@H+]1CC(C)(C)[NH3+] ZINC000334318873 352949649 /nfs/dbraw/zinc/94/96/49/352949649.db2.gz XCTCCTFMUYCBOT-NSHDSACASA-N 2 1 218.344 2.171 20 0 BEADMP C[C@H]1Cc2ccccc2C[N@H+]1CC(C)(C)[NH3+] ZINC000334318873 352949651 /nfs/dbraw/zinc/94/96/51/352949651.db2.gz XCTCCTFMUYCBOT-NSHDSACASA-N 2 1 218.344 2.171 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCCC2)C1 ZINC000040620886 188137133 /nfs/dbraw/zinc/13/71/33/188137133.db2.gz LSMYJMRLITYEHD-LBPRGKRZSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000336653170 188163464 /nfs/dbraw/zinc/16/34/64/188163464.db2.gz FZYLVRLPFGTQPB-XUXIUFHCSA-N 2 1 224.392 2.338 20 0 BEADMP CC(C)=CCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000309145768 188167090 /nfs/dbraw/zinc/16/70/90/188167090.db2.gz VCOQMJZTAISERF-CHWSQXEVSA-N 2 1 210.365 2.273 20 0 BEADMP CC[C@H]1C[N@H+](CCC[NH+](CC)CC)CCCO1 ZINC000338348166 188188597 /nfs/dbraw/zinc/18/85/97/188188597.db2.gz MKTWIVZBCJAXDO-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP CC[C@H]1C[N@@H+](CCC[NH+](CC)CC)CCCO1 ZINC000338348166 188188599 /nfs/dbraw/zinc/18/85/99/188188599.db2.gz MKTWIVZBCJAXDO-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP COc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000299125341 188215074 /nfs/dbraw/zinc/21/50/74/188215074.db2.gz MYSFFQKUYLEYAU-UHFFFAOYSA-N 2 1 236.359 2.079 20 0 BEADMP COc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000299125341 188215076 /nfs/dbraw/zinc/21/50/76/188215076.db2.gz MYSFFQKUYLEYAU-UHFFFAOYSA-N 2 1 236.359 2.079 20 0 BEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@H]1CCC[C@@H](C)C1 ZINC000251970277 353293389 /nfs/dbraw/zinc/29/33/89/353293389.db2.gz YCWOXAIQSXHGFV-MQYQWHSLSA-N 2 1 224.392 2.482 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@H]2C)C1 ZINC000252128734 353297076 /nfs/dbraw/zinc/29/70/76/353297076.db2.gz KLFHTYXLSZCLRG-RDBSUJKOSA-N 2 1 224.392 2.354 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252755951 353304354 /nfs/dbraw/zinc/30/43/54/353304354.db2.gz BPGOMUXXMHZNTA-JSGCOSHPSA-N 2 1 232.371 2.418 20 0 BEADMP CCc1nc(C)cc(NC[C@H](C)[N@@H+](C)C2CC2)n1 ZINC000288006485 353596253 /nfs/dbraw/zinc/59/62/53/353596253.db2.gz SEKOCNTVKJBAPD-NSHDSACASA-N 2 1 248.374 2.242 20 0 BEADMP CCc1nc(NC[C@H](C)[N@H+](C)C2CC2)cc(C)[nH+]1 ZINC000288006485 353596255 /nfs/dbraw/zinc/59/62/55/353596255.db2.gz SEKOCNTVKJBAPD-NSHDSACASA-N 2 1 248.374 2.242 20 0 BEADMP CCc1nc(NC[C@H](C)[N@@H+](C)C2CC2)cc(C)[nH+]1 ZINC000288006485 353596257 /nfs/dbraw/zinc/59/62/57/353596257.db2.gz SEKOCNTVKJBAPD-NSHDSACASA-N 2 1 248.374 2.242 20 0 BEADMP CC1(C)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)CCS1 ZINC000231047867 353560776 /nfs/dbraw/zinc/56/07/76/353560776.db2.gz YETSKADZOAQYGM-GFCCVEGCSA-N 2 1 242.432 2.204 20 0 BEADMP Fc1ccc2c(c1)C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC000297413217 180987172 /nfs/dbraw/zinc/98/71/72/180987172.db2.gz NZLXECRLDJSFLO-UHFFFAOYSA-N 2 1 248.345 2.183 20 0 BEADMP Fc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037408271 181012948 /nfs/dbraw/zinc/01/29/48/181012948.db2.gz IFZJRSZGSFIABZ-GFCCVEGCSA-N 2 1 248.345 2.400 20 0 BEADMP Fc1ccccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037408271 181012951 /nfs/dbraw/zinc/01/29/51/181012951.db2.gz IFZJRSZGSFIABZ-GFCCVEGCSA-N 2 1 248.345 2.400 20 0 BEADMP Fc1cccc2c1C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC000261799828 181007371 /nfs/dbraw/zinc/00/73/71/181007371.db2.gz GVZJBVIKAWHHDJ-UHFFFAOYSA-N 2 1 248.345 2.183 20 0 BEADMP C[C@H](c1cccnc1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000220425963 353836379 /nfs/dbraw/zinc/83/63/79/353836379.db2.gz XUEFFTWWMYPORX-CHWSQXEVSA-N 2 1 233.359 2.074 20 0 BEADMP C[C@H](c1cccnc1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000220425963 353836380 /nfs/dbraw/zinc/83/63/80/353836380.db2.gz XUEFFTWWMYPORX-CHWSQXEVSA-N 2 1 233.359 2.074 20 0 BEADMP Cc1c[nH+]ccc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000334548590 353987903 /nfs/dbraw/zinc/98/79/03/353987903.db2.gz HKZVVRRKGUMTHO-LBPRGKRZSA-N 2 1 242.326 2.497 20 0 BEADMP C[C@H]1CC[N@@H+](CCc2cncn2C)CC1(C)C ZINC000334562189 354117540 /nfs/dbraw/zinc/11/75/40/354117540.db2.gz JTFDKXUDVKLGES-LBPRGKRZSA-N 2 1 235.375 2.331 20 0 BEADMP C[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000230665688 363318043 /nfs/dbraw/zinc/31/80/43/363318043.db2.gz PVASBNATTFWUEZ-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP CCC[C@@H](C[N@@H+](CC)CCC[NH+](C)C)OC ZINC000639175924 354210430 /nfs/dbraw/zinc/21/04/30/354210430.db2.gz RMTHBDRQEODSHV-ZDUSSCGKSA-N 2 1 230.396 2.075 20 0 BEADMP CCC[C@H](C[N@@H+](C)[C@@H]1CCN(C)C[C@@H]1C)OC ZINC000639180421 354278431 /nfs/dbraw/zinc/27/84/31/354278431.db2.gz WSDMMQOMWOFQNG-BFHYXJOUSA-N 2 1 242.407 2.074 20 0 BEADMP CCC[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)OC ZINC000639180421 354278434 /nfs/dbraw/zinc/27/84/34/354278434.db2.gz WSDMMQOMWOFQNG-BFHYXJOUSA-N 2 1 242.407 2.074 20 0 BEADMP CCC[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)OC ZINC000639180421 354278437 /nfs/dbraw/zinc/27/84/37/354278437.db2.gz WSDMMQOMWOFQNG-BFHYXJOUSA-N 2 1 242.407 2.074 20 0 BEADMP CCC[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C)OC ZINC000639180421 354278441 /nfs/dbraw/zinc/27/84/41/354278441.db2.gz WSDMMQOMWOFQNG-BFHYXJOUSA-N 2 1 242.407 2.074 20 0 BEADMP CCC[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)OC ZINC000639180421 354278443 /nfs/dbraw/zinc/27/84/43/354278443.db2.gz WSDMMQOMWOFQNG-BFHYXJOUSA-N 2 1 242.407 2.074 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]CC1CCSCC1 ZINC000639190643 354433835 /nfs/dbraw/zinc/43/38/35/354433835.db2.gz BQVJDGQJCZUNLT-GFCCVEGCSA-N 2 1 244.448 2.448 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]CC1CCSCC1 ZINC000639190643 354433838 /nfs/dbraw/zinc/43/38/38/354433838.db2.gz BQVJDGQJCZUNLT-GFCCVEGCSA-N 2 1 244.448 2.448 20 0 BEADMP c1nc2c([nH]1)CC[C@@H]([NH2+]C1CC3(CCC3)C1)C2 ZINC000334646628 354436537 /nfs/dbraw/zinc/43/65/37/354436537.db2.gz MAFQIHLLTXXUEK-SNVBAGLBSA-N 2 1 231.343 2.189 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2CC3(CCC3)C2)CC[N@@H+]1C ZINC000334727832 354527815 /nfs/dbraw/zinc/52/78/15/354527815.db2.gz NVAJRCBTDJOTHN-VXGBXAGGSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2CC3(CCC3)C2)CC[N@H+]1C ZINC000334727832 354527816 /nfs/dbraw/zinc/52/78/16/354527816.db2.gz NVAJRCBTDJOTHN-VXGBXAGGSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@H]1C[N@@H+](C)C[C@H]1NC1(c2cccc(F)c2)CC1 ZINC000334737896 354540157 /nfs/dbraw/zinc/54/01/57/354540157.db2.gz MYWVTGMDYXEQBP-SMDDNHRTSA-N 2 1 248.345 2.355 20 0 BEADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC1(c2cccc(F)c2)CC1 ZINC000334737892 354540312 /nfs/dbraw/zinc/54/03/12/354540312.db2.gz MYWVTGMDYXEQBP-BXUZGUMPSA-N 2 1 248.345 2.355 20 0 BEADMP CC[N@@H+](CCC1CC1)C[C@@H]1CCC[NH2+]C1 ZINC000233466754 363403736 /nfs/dbraw/zinc/40/37/36/363403736.db2.gz PVOONYAXBSNEBW-CYBMUJFWSA-N 2 1 210.365 2.108 20 0 BEADMP C1CC12CCC([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC000335177615 354947552 /nfs/dbraw/zinc/94/75/52/354947552.db2.gz JYKLVHCMJJFJDE-LBPRGKRZSA-N 2 1 208.349 2.051 20 0 BEADMP Cc1ccncc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000335177666 354947728 /nfs/dbraw/zinc/94/77/28/354947728.db2.gz KITLVIWMKHEEBK-KGLIPLIRSA-N 2 1 233.359 2.140 20 0 BEADMP Cc1csc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000335164184 354951216 /nfs/dbraw/zinc/95/12/16/354951216.db2.gz OTTVKAJQHHAZLT-MNOVXSKESA-N 2 1 210.346 2.026 20 0 BEADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H]2CCSC2)CC1 ZINC000335196461 355029832 /nfs/dbraw/zinc/02/98/32/355029832.db2.gz WHQAXQVMOZSSMG-OLZOCXBDSA-N 2 1 242.432 2.156 20 0 BEADMP CCC[N@H+](C[C@@H]1CCCCO1)CC(C)(C)[NH3+] ZINC000346844125 355134488 /nfs/dbraw/zinc/13/44/88/355134488.db2.gz KWICOHMLBRHDRW-LBPRGKRZSA-N 2 1 228.380 2.005 20 0 BEADMP CCC[N@@H+](C[C@@H]1CCCCO1)CC(C)(C)[NH3+] ZINC000346844125 355134492 /nfs/dbraw/zinc/13/44/92/355134492.db2.gz KWICOHMLBRHDRW-LBPRGKRZSA-N 2 1 228.380 2.005 20 0 BEADMP CCCO[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])CC1 ZINC000346842739 355134890 /nfs/dbraw/zinc/13/48/90/355134890.db2.gz IKYBMDNGJAWNCM-LBPRGKRZSA-N 2 1 228.380 2.005 20 0 BEADMP C[C@@H]1C[C@H](C)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346972750 355208173 /nfs/dbraw/zinc/20/81/73/355208173.db2.gz HXPYBTDNWFWDFX-MGPQQGTHSA-N 2 1 224.392 2.354 20 0 BEADMP Fc1cc(F)cc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000335250250 355170356 /nfs/dbraw/zinc/17/03/56/355170356.db2.gz KNOPWZXYLSENIY-CYBMUJFWSA-N 2 1 240.297 2.197 20 0 BEADMP C[C@@H]1CCC[C@H](C)[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346965937 355172979 /nfs/dbraw/zinc/17/29/79/355172979.db2.gz CELFRZSTANHTBY-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)([NH3+])C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000346999349 355196714 /nfs/dbraw/zinc/19/67/14/355196714.db2.gz GAUQKWRAUZWZJE-CYBMUJFWSA-N 2 1 240.391 2.147 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@@H]2CCCC[C@@H]21 ZINC000347000574 355198056 /nfs/dbraw/zinc/19/80/56/355198056.db2.gz GMIODMFGYKLEMG-BPLDGKMQSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2)CC[NH2+]1 ZINC000335259721 355199999 /nfs/dbraw/zinc/19/99/99/355199999.db2.gz LPRXTFWWKUJRHU-TVQRCGJNSA-N 2 1 240.297 2.195 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CS1 ZINC000639244743 355248126 /nfs/dbraw/zinc/24/81/26/355248126.db2.gz OQLHIIMSVQKORD-NWDGAFQWSA-N 2 1 242.432 2.344 20 0 BEADMP CC1(C)CCC[N@@H+]1CC[NH2+]CCC[C@@H]1CCO1 ZINC000639241836 355227905 /nfs/dbraw/zinc/22/79/05/355227905.db2.gz JLZFLSZMTABOLB-CYBMUJFWSA-N 2 1 240.391 2.020 20 0 BEADMP CC1(C)CCC[N@H+]1CC[NH2+]CCC[C@@H]1CCO1 ZINC000639241836 355227910 /nfs/dbraw/zinc/22/79/10/355227910.db2.gz JLZFLSZMTABOLB-CYBMUJFWSA-N 2 1 240.391 2.020 20 0 BEADMP CC[C@@](C)(C[NH2+]CCCC[N@@H+](C)C1CC1)OC ZINC000639243873 355232139 /nfs/dbraw/zinc/23/21/39/355232139.db2.gz DUMNFCKJIMAFFU-AWEZNQCLSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1CC1(F)F ZINC000639245160 355240740 /nfs/dbraw/zinc/24/07/40/355240740.db2.gz STCMHMLOQKCQTF-JQWIXIFHSA-N 2 1 246.345 2.494 20 0 BEADMP CC[C@H]1COCC[N@H+]1CCCc1cnccc1C ZINC000347630322 355240906 /nfs/dbraw/zinc/24/09/06/355240906.db2.gz DJHVIBRLZOMSQX-HNNXBMFYSA-N 2 1 248.370 2.433 20 0 BEADMP CC[C@H]1COCCN1CCCc1cnccc1C ZINC000347630322 355240910 /nfs/dbraw/zinc/24/09/10/355240910.db2.gz DJHVIBRLZOMSQX-HNNXBMFYSA-N 2 1 248.370 2.433 20 0 BEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CC1(F)F ZINC000639245728 355275090 /nfs/dbraw/zinc/27/50/90/355275090.db2.gz BDXPBJKEAAFUSQ-IYJVRESMSA-N 2 1 244.329 2.245 20 0 BEADMP Cc1c[nH+]ccc1NCCCC[N@H+](C)C1CC1 ZINC000413346389 191373742 /nfs/dbraw/zinc/37/37/42/191373742.db2.gz HTMWTBBHTNYJSJ-UHFFFAOYSA-N 2 1 233.359 2.098 20 0 BEADMP CC[C@](C)(C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)OC ZINC000639258129 355305017 /nfs/dbraw/zinc/30/50/17/355305017.db2.gz ZWRVMHPHBFYMFM-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP CC[N@H+](CCCc1c[nH+]cn1C)CC(C)C ZINC000583507638 355345028 /nfs/dbraw/zinc/34/50/28/355345028.db2.gz FSWRFPHYLXETMC-UHFFFAOYSA-N 2 1 223.364 2.331 20 0 BEADMP CC[N@@H+](CCCc1c[nH+]cn1C)CC(C)C ZINC000583507638 355345031 /nfs/dbraw/zinc/34/50/31/355345031.db2.gz FSWRFPHYLXETMC-UHFFFAOYSA-N 2 1 223.364 2.331 20 0 BEADMP Cc1cccc(CC[C@H](C)[NH2+][C@@H](C)C[NH3+])c1 ZINC000414947471 191631206 /nfs/dbraw/zinc/63/12/06/191631206.db2.gz VGAJVNCWXBIAEC-STQMWFEESA-N 2 1 220.360 2.253 20 0 BEADMP C[C@H](Cc1ccoc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000583545702 355522433 /nfs/dbraw/zinc/52/24/33/355522433.db2.gz LAYHAKNSZXFPJU-OCCSQVGLSA-N 2 1 236.359 2.142 20 0 BEADMP Cc1ccccc1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000415059706 191664553 /nfs/dbraw/zinc/66/45/53/191664553.db2.gz VLZYCIMKEZEYOD-CYBMUJFWSA-N 2 1 220.360 2.458 20 0 BEADMP CCOc1ccccc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000215969056 355644292 /nfs/dbraw/zinc/64/42/92/355644292.db2.gz GWXAQLAIUSSMOU-STQMWFEESA-N 2 1 248.370 2.254 20 0 BEADMP Cc1scc(C[N@H+](C)CC2CN(C)C2)c1C ZINC000639308902 355664895 /nfs/dbraw/zinc/66/48/95/355664895.db2.gz FLNADIRTDCIZQR-UHFFFAOYSA-N 2 1 238.400 2.358 20 0 BEADMP CCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000215955937 355619518 /nfs/dbraw/zinc/61/95/18/355619518.db2.gz FQZNAAUGYWLEPT-GXTWGEPZSA-N 2 1 248.370 2.254 20 0 BEADMP CCC[C@H](C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)OC ZINC000639347806 355794464 /nfs/dbraw/zinc/79/44/64/355794464.db2.gz QYOUJVSKGRARKJ-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000351423355 355988632 /nfs/dbraw/zinc/98/86/32/355988632.db2.gz VMYYMCYJOFVPGU-XQHKEYJVSA-N 2 1 210.365 2.057 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000351423355 355988635 /nfs/dbraw/zinc/98/86/35/355988635.db2.gz VMYYMCYJOFVPGU-XQHKEYJVSA-N 2 1 210.365 2.057 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000351423355 355988638 /nfs/dbraw/zinc/98/86/38/355988638.db2.gz VMYYMCYJOFVPGU-XQHKEYJVSA-N 2 1 210.365 2.057 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000351423355 355988641 /nfs/dbraw/zinc/98/86/41/355988641.db2.gz VMYYMCYJOFVPGU-XQHKEYJVSA-N 2 1 210.365 2.057 20 0 BEADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC000351439996 355992603 /nfs/dbraw/zinc/99/26/03/355992603.db2.gz ZXBXCPQIAUTYLW-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1C[C@H]1C ZINC000351232414 355965164 /nfs/dbraw/zinc/96/51/64/355965164.db2.gz XWSUUNCHDFJHKY-SYQHCUMBSA-N 2 1 222.376 2.201 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000226156422 259460655 /nfs/dbraw/zinc/46/06/55/259460655.db2.gz DOTSREYMHRSYNQ-YVECIDJPSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@H](F)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000351882131 356120306 /nfs/dbraw/zinc/12/03/06/356120306.db2.gz PAWWWSODHUGBPX-AVGNSLFASA-N 2 1 228.355 2.151 20 0 BEADMP C[C@H](F)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000351882131 356120309 /nfs/dbraw/zinc/12/03/09/356120309.db2.gz PAWWWSODHUGBPX-AVGNSLFASA-N 2 1 228.355 2.151 20 0 BEADMP C[C@H](F)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000351882131 356120311 /nfs/dbraw/zinc/12/03/11/356120311.db2.gz PAWWWSODHUGBPX-AVGNSLFASA-N 2 1 228.355 2.151 20 0 BEADMP FCCCC[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000351889862 356153321 /nfs/dbraw/zinc/15/33/21/356153321.db2.gz LUBMOIFEXFJUHL-CYBMUJFWSA-N 2 1 238.306 2.284 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCCc1ccncc1 ZINC000420264621 192191852 /nfs/dbraw/zinc/19/18/52/192191852.db2.gz ASGMHYVCUFFGLO-UKRRQHHQSA-N 2 1 247.386 2.216 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCCc1ccncc1 ZINC000420264621 192191854 /nfs/dbraw/zinc/19/18/54/192191854.db2.gz ASGMHYVCUFFGLO-UKRRQHHQSA-N 2 1 247.386 2.216 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000420297422 192205249 /nfs/dbraw/zinc/20/52/49/192205249.db2.gz DIIBBELAXOBEGU-ZFWWWQNUSA-N 2 1 232.371 2.431 20 0 BEADMP C[C@]1(C[NH3+])CC[N@@H+](CCCCC(F)(F)F)C1 ZINC000420319185 192195710 /nfs/dbraw/zinc/19/57/10/192195710.db2.gz RHGGLRLDZHEGDK-SNVBAGLBSA-N 2 1 238.297 2.390 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000420281773 192200318 /nfs/dbraw/zinc/20/03/18/192200318.db2.gz AJWSCCZZTMMPFP-BFHYXJOUSA-N 2 1 240.391 2.005 20 0 BEADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)C2CCC2)cc1 ZINC000420295635 192203140 /nfs/dbraw/zinc/20/31/40/192203140.db2.gz CHSTUIUBPYBLBT-CYBMUJFWSA-N 2 1 248.370 2.222 20 0 BEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@H](C)C2)cc1 ZINC000420317664 192213039 /nfs/dbraw/zinc/21/30/39/192213039.db2.gz NPZDNQOBOLFFPA-GXTWGEPZSA-N 2 1 248.370 2.079 20 0 BEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCCc1ccncc1 ZINC000420314006 192213133 /nfs/dbraw/zinc/21/31/33/192213133.db2.gz KPVUCJCOSLERLT-HNNXBMFYSA-N 2 1 247.386 2.218 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420314666 192213167 /nfs/dbraw/zinc/21/31/67/192213167.db2.gz ZHGJZCFFVSXCDW-XQQFMLRXSA-N 2 1 210.365 2.249 20 0 BEADMP CCc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000420313973 192213324 /nfs/dbraw/zinc/21/33/24/192213324.db2.gz KODAWDBFNKVBBB-CVEARBPZSA-N 2 1 244.382 2.433 20 0 BEADMP CCc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000420314911 192213386 /nfs/dbraw/zinc/21/33/86/192213386.db2.gz LRGRCELNJNUTQJ-CVEARBPZSA-N 2 1 244.382 2.290 20 0 BEADMP CCCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420334285 192214518 /nfs/dbraw/zinc/21/45/18/192214518.db2.gz GBIJBCCDZWIECC-QWHCGFSZSA-N 2 1 210.365 2.108 20 0 BEADMP C[N@@H+](CC[C@@H]1CCCCO1)[C@H]1CCC[NH2+]CC1 ZINC000420318411 192214544 /nfs/dbraw/zinc/21/45/44/192214544.db2.gz WBEQBIYRLQOHTG-KBPBESRZSA-N 2 1 240.391 2.020 20 0 BEADMP COc1cccc(CCC[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000420352305 192218031 /nfs/dbraw/zinc/21/80/31/192218031.db2.gz MGSVAUBZPHVRGZ-WFASDCNBSA-N 2 1 248.370 2.049 20 0 BEADMP COc1cccc(CCC[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000420352305 192218033 /nfs/dbraw/zinc/21/80/33/192218033.db2.gz MGSVAUBZPHVRGZ-WFASDCNBSA-N 2 1 248.370 2.049 20 0 BEADMP Cc1cnc([C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000420305107 192208366 /nfs/dbraw/zinc/20/83/66/192208366.db2.gz JSTHXOIRTCNVIT-ZDEQEGDKSA-N 2 1 249.358 2.103 20 0 BEADMP Cc1cnc([C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000420305107 192208368 /nfs/dbraw/zinc/20/83/68/192208368.db2.gz JSTHXOIRTCNVIT-ZDEQEGDKSA-N 2 1 249.358 2.103 20 0 BEADMP C[C@@H]1CCC[C@@H](C)[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420305662 192209457 /nfs/dbraw/zinc/20/94/57/192209457.db2.gz PTKXXBMWMFZTJU-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1nocc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000336131219 134094501 /nfs/dbraw/zinc/09/45/01/134094501.db2.gz FKPBRFSIOOYWTM-AGUYFDCRSA-N 2 1 249.358 2.088 20 0 BEADMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000420312759 192211552 /nfs/dbraw/zinc/21/15/52/192211552.db2.gz XDWIVPOZKGOBIQ-UKRRQHHQSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000420312759 192211555 /nfs/dbraw/zinc/21/15/55/192211555.db2.gz XDWIVPOZKGOBIQ-UKRRQHHQSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCc2ccsc2)C1 ZINC000420317252 192212835 /nfs/dbraw/zinc/21/28/35/192212835.db2.gz ZDCHSSBBTFFCLY-WCQYABFASA-N 2 1 238.400 2.350 20 0 BEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC1CCCC1 ZINC000420371383 192227296 /nfs/dbraw/zinc/22/72/96/192227296.db2.gz PKAPFBDZYAUGAG-MDZLAQPJSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC1CCCC1 ZINC000420371385 192227360 /nfs/dbraw/zinc/22/73/60/192227360.db2.gz PKAPFBDZYAUGAG-NQBHXWOUSA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)(C)CCC[N@H+]1CCNC[C@](C)(F)C1 ZINC000420329599 192229212 /nfs/dbraw/zinc/22/92/12/192229212.db2.gz JZLZEPDZSMGOSU-ZDUSSCGKSA-N 2 1 230.371 2.446 20 0 BEADMP CCSCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420328341 192230260 /nfs/dbraw/zinc/23/02/60/192230260.db2.gz MHXCHPCZPQNTLG-QWHCGFSZSA-N 2 1 242.432 2.061 20 0 BEADMP CCc1ccc(CC[N@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000420356532 192220063 /nfs/dbraw/zinc/22/00/63/192220063.db2.gz QUFLMHLULGGZLT-WFASDCNBSA-N 2 1 232.371 2.213 20 0 BEADMP CC[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H](C)[NH3+] ZINC000420356972 192220560 /nfs/dbraw/zinc/22/05/60/192220560.db2.gz HIDGLPDBINMSMK-SMDDNHRTSA-N 2 1 218.344 2.171 20 0 BEADMP CC[C@@H]1Cc2ccccc2C[N@H+]1C[C@H](C)[NH3+] ZINC000420356972 192220562 /nfs/dbraw/zinc/22/05/62/192220562.db2.gz HIDGLPDBINMSMK-SMDDNHRTSA-N 2 1 218.344 2.171 20 0 BEADMP CC(C)COCC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420358166 192220770 /nfs/dbraw/zinc/22/07/70/192220770.db2.gz FBBDHASOZZJPEA-CQSZACIVSA-N 2 1 242.407 2.156 20 0 BEADMP Cc1cccc([C@@H](C)[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000420361072 192222670 /nfs/dbraw/zinc/22/26/70/192222670.db2.gz XVYKIEUIHBJLPE-DYEKYZERSA-N 2 1 218.344 2.478 20 0 BEADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000420361072 192222671 /nfs/dbraw/zinc/22/26/71/192222671.db2.gz XVYKIEUIHBJLPE-DYEKYZERSA-N 2 1 218.344 2.478 20 0 BEADMP CC(C)OCCC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420363768 192224378 /nfs/dbraw/zinc/22/43/78/192224378.db2.gz JSDLWBYOGIWWFG-CQSZACIVSA-N 2 1 242.407 2.299 20 0 BEADMP [NH3+]C[C@H]([NH2+]CC1CCC1)C1CCCCC1 ZINC000420369224 192225264 /nfs/dbraw/zinc/22/52/64/192225264.db2.gz OFBDPOVQSYHLRH-ZDUSSCGKSA-N 2 1 210.365 2.284 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000420410157 192238944 /nfs/dbraw/zinc/23/89/44/192238944.db2.gz RDDWRYMFLLYILQ-GZBFAFLISA-N 2 1 248.370 2.091 20 0 BEADMP Cc1ccc(CC[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420408092 192239595 /nfs/dbraw/zinc/23/95/95/192239595.db2.gz OWXZEAQXPHNQEF-HOCLYGCPSA-N 2 1 246.398 2.454 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000420410156 192239628 /nfs/dbraw/zinc/23/96/28/192239628.db2.gz RDDWRYMFLLYILQ-GUTXKFCHSA-N 2 1 248.370 2.091 20 0 BEADMP Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])c1C ZINC000420410909 192240000 /nfs/dbraw/zinc/24/00/00/192240000.db2.gz RMTHAXRCDBYXAF-ZYHUDNBSSA-N 2 1 206.333 2.301 20 0 BEADMP Cc1cccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])c1C ZINC000420410896 192240047 /nfs/dbraw/zinc/24/00/47/192240047.db2.gz RMTHAXRCDBYXAF-CMPLNLGQSA-N 2 1 206.333 2.301 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000420381000 192233094 /nfs/dbraw/zinc/23/30/94/192233094.db2.gz XFFGTOQRUBJVPC-BDAKNGLRSA-N 2 1 244.285 2.286 20 0 BEADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@H](C)[NH3+])cc1 ZINC000336170483 134114899 /nfs/dbraw/zinc/11/48/99/134114899.db2.gz HAGMMNDSWCRZMA-GXTWGEPZSA-N 2 1 218.344 2.479 20 0 BEADMP Cc1ccc([C@H]2CCC[N@@H+]2C[C@H](C)[NH3+])cc1 ZINC000336170483 134114900 /nfs/dbraw/zinc/11/49/00/134114900.db2.gz HAGMMNDSWCRZMA-GXTWGEPZSA-N 2 1 218.344 2.479 20 0 BEADMP c1cn(CC[N@H+]2CC[C@@H](C3CCCC3)C2)cn1 ZINC000420960166 192282257 /nfs/dbraw/zinc/28/22/57/192282257.db2.gz GILJKZMUIUMVJR-CQSZACIVSA-N 2 1 233.359 2.395 20 0 BEADMP CC[C@H](C)C[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449783369 202035127 /nfs/dbraw/zinc/03/51/27/202035127.db2.gz OMXYEPAANXLALF-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@H](C)C[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449783369 202035129 /nfs/dbraw/zinc/03/51/29/202035129.db2.gz OMXYEPAANXLALF-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CCSCC1 ZINC000449783902 202035354 /nfs/dbraw/zinc/03/53/54/202035354.db2.gz SOFFFSCWXBGBGZ-UHFFFAOYSA-N 2 1 242.432 2.346 20 0 BEADMP CC1(C)CCC[N@H+]1CC[NH2+]C1CCSCC1 ZINC000449783902 202035358 /nfs/dbraw/zinc/03/53/58/202035358.db2.gz SOFFFSCWXBGBGZ-UHFFFAOYSA-N 2 1 242.432 2.346 20 0 BEADMP COCC(C)(C)C[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449784434 202035834 /nfs/dbraw/zinc/03/58/34/202035834.db2.gz WZUFGHHQDGFKTB-UHFFFAOYSA-N 2 1 242.407 2.123 20 0 BEADMP COCC(C)(C)C[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449784434 202035837 /nfs/dbraw/zinc/03/58/37/202035837.db2.gz WZUFGHHQDGFKTB-UHFFFAOYSA-N 2 1 242.407 2.123 20 0 BEADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCCOCC1 ZINC000449784805 202036157 /nfs/dbraw/zinc/03/61/57/202036157.db2.gz YJTLJCHJJGQRDP-CYBMUJFWSA-N 2 1 240.391 2.020 20 0 BEADMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCCOCC1 ZINC000449784805 202036159 /nfs/dbraw/zinc/03/61/59/202036159.db2.gz YJTLJCHJJGQRDP-CYBMUJFWSA-N 2 1 240.391 2.020 20 0 BEADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCCOCC1 ZINC000449784806 202036360 /nfs/dbraw/zinc/03/63/60/202036360.db2.gz YJTLJCHJJGQRDP-ZDUSSCGKSA-N 2 1 240.391 2.020 20 0 BEADMP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCCOCC1 ZINC000449784806 202036363 /nfs/dbraw/zinc/03/63/63/202036363.db2.gz YJTLJCHJJGQRDP-ZDUSSCGKSA-N 2 1 240.391 2.020 20 0 BEADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H]1C1CCC1 ZINC000336197080 134126698 /nfs/dbraw/zinc/12/66/98/134126698.db2.gz KGEHHXQTCKIYLX-GXTWGEPZSA-N 2 1 222.376 2.251 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2C[C@H](O)CC[C@H]2C)c(C)n1 ZINC000639685690 356600728 /nfs/dbraw/zinc/60/07/28/356600728.db2.gz LQQMXPNBHUINOT-TZMCWYRMSA-N 2 1 248.370 2.352 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639685933 356601667 /nfs/dbraw/zinc/60/16/67/356601667.db2.gz ZEQBKHTXIBPSGD-ZIAGYGMSSA-N 2 1 245.370 2.250 20 0 BEADMP CCC[N@H+]1CC[C@@H](CNc2cc[nH+]c(CC)c2)C1 ZINC000450272334 202116999 /nfs/dbraw/zinc/11/69/99/202116999.db2.gz BGJNYBNNCRKACD-ZDUSSCGKSA-N 2 1 247.386 2.210 20 0 BEADMP c1cncc(C[NH2+]CCC[NH2+]C2CCCC2)c1 ZINC000168068620 134155790 /nfs/dbraw/zinc/15/57/90/134155790.db2.gz ZGZALQBHQYPMAK-UHFFFAOYSA-N 2 1 233.359 2.094 20 0 BEADMP C[C@H]1CC[N@@H+](CCc2ccccc2)C[C@@H]1C[NH3+] ZINC000167770815 134154222 /nfs/dbraw/zinc/15/42/22/134154222.db2.gz OYSUCDPVLWUZII-ZFWWWQNUSA-N 2 1 232.371 2.146 20 0 BEADMP C[C@H](C[C@H](C)[NH3+])[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000423163725 192574376 /nfs/dbraw/zinc/57/43/76/192574376.db2.gz RNTWLLBWAVDEEM-YNEHKIRRSA-N 2 1 242.432 2.331 20 0 BEADMP CCc1cc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc[nH+]1 ZINC000450373549 202143917 /nfs/dbraw/zinc/14/39/17/202143917.db2.gz CSHDLHDSVVURMK-BXUZGUMPSA-N 2 1 245.370 2.103 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000261548172 535351010 /nfs/dbraw/zinc/35/10/10/535351010.db2.gz NFKHWXDREUKDDK-LBPRGKRZSA-N 2 1 212.381 2.354 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000257786750 538766697 /nfs/dbraw/zinc/76/66/97/538766697.db2.gz MJNAFIYCSVUAGF-MJBXVCDLSA-N 2 1 224.392 2.354 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]CC1(C)CC1 ZINC000389872479 357058313 /nfs/dbraw/zinc/05/83/13/357058313.db2.gz KBRRTBCFEAUJGX-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]CC1(C)CC1 ZINC000389872479 357058315 /nfs/dbraw/zinc/05/83/15/357058315.db2.gz KBRRTBCFEAUJGX-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CC(C)(F)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000631660816 357197192 /nfs/dbraw/zinc/19/71/92/357197192.db2.gz ZBCBMBCYWOJWTD-UHFFFAOYSA-N 2 1 228.355 2.199 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000423282349 192675199 /nfs/dbraw/zinc/67/51/99/192675199.db2.gz WLEFDCIFSUCXTG-VHSXEESVSA-N 2 1 241.766 2.241 20 0 BEADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccc1N(C)C ZINC000423325534 192676571 /nfs/dbraw/zinc/67/65/71/192676571.db2.gz QCUNVAFEVYONRQ-RISCZKNCSA-N 2 1 247.386 2.141 20 0 BEADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000628425918 357254173 /nfs/dbraw/zinc/25/41/73/357254173.db2.gz ZCZQTAQWMOVJPQ-UPJWGTAASA-N 2 1 242.432 2.059 20 0 BEADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423279027 192671965 /nfs/dbraw/zinc/67/19/65/192671965.db2.gz QVMNHQPCNJWLCZ-DOMZBBRYSA-N 2 1 247.386 2.120 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](c1cccnc1)C(C)C ZINC000423285369 192678376 /nfs/dbraw/zinc/67/83/76/192678376.db2.gz ZFBDFIKDNLZODV-KBPBESRZSA-N 2 1 235.375 2.352 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000394834709 357382553 /nfs/dbraw/zinc/38/25/53/357382553.db2.gz UEDSFJCJNXITAO-XHDPSFHLSA-N 2 1 236.403 2.352 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000394834707 357383020 /nfs/dbraw/zinc/38/30/20/357383020.db2.gz UEDSFJCJNXITAO-IAQYHMDHSA-N 2 1 236.403 2.352 20 0 BEADMP C[C@@H]1Cc2[nH+]cn(CC[C@H]3CC[NH2+]C3)c2C[C@@H]1C ZINC000395776199 357456099 /nfs/dbraw/zinc/45/60/99/357456099.db2.gz AKKUMOAFQNUJHU-FRRDWIJNSA-N 2 1 247.386 2.254 20 0 BEADMP C[N@H+]1CCC[C@H]1CCSCC1CC[NH2+]CC1 ZINC000583082308 357474102 /nfs/dbraw/zinc/47/41/02/357474102.db2.gz PXJVUMSSXIYABA-ZDUSSCGKSA-N 2 1 242.432 2.204 20 0 BEADMP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000188545919 357560341 /nfs/dbraw/zinc/56/03/41/357560341.db2.gz QVORCHNMOLNRGF-OCCSQVGLSA-N 2 1 240.391 2.016 20 0 BEADMP CCc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)nc(C)[nH+]1 ZINC000158462759 538861857 /nfs/dbraw/zinc/86/18/57/538861857.db2.gz OCFSOXIRBVNIOY-MFKMUULPSA-N 2 1 248.374 2.242 20 0 BEADMP CCc1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)nc(C)[nH+]1 ZINC000158462759 538861861 /nfs/dbraw/zinc/86/18/61/538861861.db2.gz OCFSOXIRBVNIOY-MFKMUULPSA-N 2 1 248.374 2.242 20 0 BEADMP CC(C)[C@H](C[NH2+]C1CC(C)C1)[NH+]1CCCC1 ZINC000231787423 357628651 /nfs/dbraw/zinc/62/86/51/357628651.db2.gz HHXWLURYJAWVNQ-RUXDESIVSA-N 2 1 224.392 2.495 20 0 BEADMP CSC1(C[NH2+]CCn2cc[nH+]c2C)CCC1 ZINC000235233198 357858500 /nfs/dbraw/zinc/85/85/00/357858500.db2.gz NBNFPHDYPIKMKY-UHFFFAOYSA-N 2 1 239.388 2.067 20 0 BEADMP Cc1c[nH+]ccc1N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000192693996 357847489 /nfs/dbraw/zinc/84/74/89/357847489.db2.gz XXQOSNDLFQQKDO-HIFRSBDPSA-N 2 1 245.370 2.311 20 0 BEADMP C[NH+]1CCC([NH2+]CC2C(C)(C)C2(C)C)CC1 ZINC000086239430 357874717 /nfs/dbraw/zinc/87/47/17/357874717.db2.gz CMACXMHEOONXGJ-UHFFFAOYSA-N 2 1 224.392 2.352 20 0 BEADMP CC1([NH+]2CCCC2)CC[NH+](CCCF)CC1 ZINC000639981998 358025458 /nfs/dbraw/zinc/02/54/58/358025458.db2.gz CRMWWDDPPNNKTB-UHFFFAOYSA-N 2 1 228.355 2.296 20 0 BEADMP Clc1c[nH+]ccc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000169108355 134249570 /nfs/dbraw/zinc/24/95/70/134249570.db2.gz DAIMGIHRRVSDEW-ZJUUUORDSA-N 2 1 237.734 2.066 20 0 BEADMP Cc1cccc(C[N@@H+]2CCC[C@H]2CN)c1C ZINC000168796676 134247976 /nfs/dbraw/zinc/24/79/76/134247976.db2.gz DVEYVMXXWHCZJB-AWEZNQCLSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1cccc(C[N@H+]2CCC[C@H]2CN)c1C ZINC000168796676 134247977 /nfs/dbraw/zinc/24/79/77/134247977.db2.gz DVEYVMXXWHCZJB-AWEZNQCLSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1cccc(C[N@@H+]2CCC[C@H]2C[NH3+])c1C ZINC000168796676 134247978 /nfs/dbraw/zinc/24/79/78/134247978.db2.gz DVEYVMXXWHCZJB-AWEZNQCLSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1cccc(C[N@H+]2CCC[C@H]2C[NH3+])c1C ZINC000168796676 134247979 /nfs/dbraw/zinc/24/79/79/134247979.db2.gz DVEYVMXXWHCZJB-AWEZNQCLSA-N 2 1 218.344 2.227 20 0 BEADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1C=CCCC1 ZINC000172584045 134268201 /nfs/dbraw/zinc/26/82/01/134268201.db2.gz UDTDKSXEAHBKAB-KGLIPLIRSA-N 2 1 222.376 2.369 20 0 BEADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1C=CCCC1 ZINC000172584045 134268202 /nfs/dbraw/zinc/26/82/02/134268202.db2.gz UDTDKSXEAHBKAB-KGLIPLIRSA-N 2 1 222.376 2.369 20 0 BEADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@H]1C=CCCC1 ZINC000172584045 134268203 /nfs/dbraw/zinc/26/82/03/134268203.db2.gz UDTDKSXEAHBKAB-KGLIPLIRSA-N 2 1 222.376 2.369 20 0 BEADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@H]1C=CCCC1 ZINC000172584045 134268204 /nfs/dbraw/zinc/26/82/04/134268204.db2.gz UDTDKSXEAHBKAB-KGLIPLIRSA-N 2 1 222.376 2.369 20 0 BEADMP C[C@]1(C[NH3+])CC[N@@H+](CCCc2ccccc2)C1 ZINC000235706988 358447335 /nfs/dbraw/zinc/44/73/35/358447335.db2.gz SHWVVQUCWWAYNM-OAHLLOKOSA-N 2 1 232.371 2.290 20 0 BEADMP C[C@@H]1SCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000220553610 491133303 /nfs/dbraw/zinc/13/33/03/491133303.db2.gz BFIPACPCNZCUEE-GWCFXTLKSA-N 2 1 240.416 2.097 20 0 BEADMP C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043324805 358536783 /nfs/dbraw/zinc/53/67/83/358536783.db2.gz LDTWOPORHNEUHJ-DZGCQCFKSA-N 2 1 232.371 2.349 20 0 BEADMP C[C@@H](CCc1ccccc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000043324808 358537124 /nfs/dbraw/zinc/53/71/24/358537124.db2.gz LDTWOPORHNEUHJ-ZFWWWQNUSA-N 2 1 232.371 2.349 20 0 BEADMP CC(C)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000043417417 358537517 /nfs/dbraw/zinc/53/75/17/358537517.db2.gz YVQSQPLLPSBOLQ-UHFFFAOYSA-N 2 1 220.360 2.493 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)CCO1 ZINC000131994089 358702212 /nfs/dbraw/zinc/70/22/12/358702212.db2.gz VYRKZWFBGAVBRH-STQMWFEESA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)CCO1 ZINC000131993909 358702671 /nfs/dbraw/zinc/70/26/71/358702671.db2.gz VYRKZWFBGAVBRH-OLZOCXBDSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CCC1 ZINC000132401307 358722374 /nfs/dbraw/zinc/72/23/74/358722374.db2.gz PCFDYXAUDCLCGS-IACUBPJLSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)C1CCC1 ZINC000132401307 358722379 /nfs/dbraw/zinc/72/23/79/358722379.db2.gz PCFDYXAUDCLCGS-IACUBPJLSA-N 2 1 222.376 2.391 20 0 BEADMP Cc1ncccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000134578483 358796435 /nfs/dbraw/zinc/79/64/35/358796435.db2.gz SVVVYJBFQKBOGP-UHFFFAOYSA-N 2 1 247.386 2.356 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000219836992 134292082 /nfs/dbraw/zinc/29/20/82/134292082.db2.gz BHYVJULQJQUVOV-JSGCOSHPSA-N 2 1 218.344 2.164 20 0 BEADMP CCC[NH+]1CCC([NH2+]Cc2cnccc2C)CC1 ZINC000135435876 358838480 /nfs/dbraw/zinc/83/84/80/358838480.db2.gz USPWAGXHWZGREW-UHFFFAOYSA-N 2 1 247.386 2.354 20 0 BEADMP C[C@@H](CC1CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000069663197 359031392 /nfs/dbraw/zinc/03/13/92/359031392.db2.gz VFAFQMCGAVQHBJ-HLVVYCRESA-N 2 1 222.376 2.390 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)C1CCCC1 ZINC000069804824 359033652 /nfs/dbraw/zinc/03/36/52/359033652.db2.gz YOAQCMJCERUWRU-LLVKDONJSA-N 2 1 221.348 2.360 20 0 BEADMP CC[C@@H](C[NH2+][C@@H](C)CCCOC)[NH+]1CCCC1 ZINC000177914743 134302402 /nfs/dbraw/zinc/30/24/02/134302402.db2.gz CFVMYBMLMPSUSX-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP C[NH+](C)C1(C[NH2+]C2CCSCC2)CCCC1 ZINC000072785962 359089777 /nfs/dbraw/zinc/08/97/77/359089777.db2.gz MNNLEYSEPZNVNC-UHFFFAOYSA-N 2 1 242.432 2.346 20 0 BEADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1C=CCCC1 ZINC000247081097 359193579 /nfs/dbraw/zinc/19/35/79/359193579.db2.gz UDTDKSXEAHBKAB-ZIAGYGMSSA-N 2 1 222.376 2.369 20 0 BEADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1C=CCCC1 ZINC000247081097 359193582 /nfs/dbraw/zinc/19/35/82/359193582.db2.gz UDTDKSXEAHBKAB-ZIAGYGMSSA-N 2 1 222.376 2.369 20 0 BEADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H]1C=CCCC1 ZINC000247081097 359193585 /nfs/dbraw/zinc/19/35/85/359193585.db2.gz UDTDKSXEAHBKAB-ZIAGYGMSSA-N 2 1 222.376 2.369 20 0 BEADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1C=CCCC1 ZINC000247081097 359193587 /nfs/dbraw/zinc/19/35/87/359193587.db2.gz UDTDKSXEAHBKAB-ZIAGYGMSSA-N 2 1 222.376 2.369 20 0 BEADMP CC(C)=CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248008058 359251255 /nfs/dbraw/zinc/25/12/55/359251255.db2.gz KZTPLPXCGNGXHF-KBPBESRZSA-N 2 1 222.376 2.369 20 0 BEADMP CC(C)=CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248008058 359251259 /nfs/dbraw/zinc/25/12/59/359251259.db2.gz KZTPLPXCGNGXHF-KBPBESRZSA-N 2 1 222.376 2.369 20 0 BEADMP CC(C)=CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248008058 359251262 /nfs/dbraw/zinc/25/12/62/359251262.db2.gz KZTPLPXCGNGXHF-KBPBESRZSA-N 2 1 222.376 2.369 20 0 BEADMP Cc1cccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1C ZINC000423418713 192750187 /nfs/dbraw/zinc/75/01/87/192750187.db2.gz ACMHFOUBIGJQIQ-SPWCGHHHSA-N 2 1 230.355 2.172 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C2CC=CC2)CC1(C)C ZINC000623447650 359339814 /nfs/dbraw/zinc/33/98/14/359339814.db2.gz ZPXFRPQPPMKHFN-LBPRGKRZSA-N 2 1 208.349 2.167 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]C2CC=CC2)CC1(C)C ZINC000623447649 359339856 /nfs/dbraw/zinc/33/98/56/359339856.db2.gz ZPXFRPQPPMKHFN-GFCCVEGCSA-N 2 1 208.349 2.167 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C2(C3CC3)CC2)CC1(C)C ZINC000623449461 359342498 /nfs/dbraw/zinc/34/24/98/359342498.db2.gz WNRDDENAGARSIJ-LBPRGKRZSA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000423471783 192785696 /nfs/dbraw/zinc/78/56/96/192785696.db2.gz PZPJTNCHOKEXRM-BXUZGUMPSA-N 2 1 234.343 2.009 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](OC)C2)CC1 ZINC000223816901 491140597 /nfs/dbraw/zinc/14/05/97/491140597.db2.gz LBYXVLIOFXMVBU-UONOGXRCSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423508223 192798405 /nfs/dbraw/zinc/79/84/05/192798405.db2.gz HWMZQDRQIHGBGP-UKRRQHHQSA-N 2 1 248.370 2.024 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCS[C@H](C)CC2)CC[NH2+]1 ZINC000379545546 359541695 /nfs/dbraw/zinc/54/16/95/359541695.db2.gz YZESPCWETWGNNT-JHJVBQTASA-N 2 1 242.432 2.202 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000132913014 491142124 /nfs/dbraw/zinc/14/21/24/491142124.db2.gz PDOAAVCEEHRMJR-NTZNESFSSA-N 2 1 210.365 2.105 20 0 BEADMP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000578375658 366544089 /nfs/dbraw/zinc/54/40/89/366544089.db2.gz CSBIJBTWXSRQCC-OKILXGFUSA-N 2 1 247.386 2.475 20 0 BEADMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000578375658 366544092 /nfs/dbraw/zinc/54/40/92/366544092.db2.gz CSBIJBTWXSRQCC-OKILXGFUSA-N 2 1 247.386 2.475 20 0 BEADMP c1ccc([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)nc1 ZINC000578596880 366604715 /nfs/dbraw/zinc/60/47/15/366604715.db2.gz TVUKTCMNIYMRTM-HNNXBMFYSA-N 2 1 245.370 2.218 20 0 BEADMP CC[C@H](C)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000088536900 359965828 /nfs/dbraw/zinc/96/58/28/359965828.db2.gz HDNZWWZZVXWBII-QWHCGFSZSA-N 2 1 212.381 2.306 20 0 BEADMP CC[C@H](C)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000088536900 359965832 /nfs/dbraw/zinc/96/58/32/359965832.db2.gz HDNZWWZZVXWBII-QWHCGFSZSA-N 2 1 212.381 2.306 20 0 BEADMP CC[C@H](C)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000088536900 359965835 /nfs/dbraw/zinc/96/58/35/359965835.db2.gz HDNZWWZZVXWBII-QWHCGFSZSA-N 2 1 212.381 2.306 20 0 BEADMP CCc1nc(NC2(C[NH+](C)C)CCC2)cc(C)[nH+]1 ZINC000287958901 360030544 /nfs/dbraw/zinc/03/05/44/360030544.db2.gz YWRBFFBGAQHEFX-UHFFFAOYSA-N 2 1 248.374 2.244 20 0 BEADMP CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000090219853 360065627 /nfs/dbraw/zinc/06/56/27/360065627.db2.gz RJYGCKZYEQMESY-QWHCGFSZSA-N 2 1 222.376 2.393 20 0 BEADMP CC(C)C1(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000090230524 360066792 /nfs/dbraw/zinc/06/67/92/360066792.db2.gz SNUDHVCQFKJEFK-STQMWFEESA-N 2 1 224.392 2.352 20 0 BEADMP C[C@H](CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000090320650 360070378 /nfs/dbraw/zinc/07/03/78/360070378.db2.gz ZBRDSZZLKCOBMI-BMFZPTHFSA-N 2 1 244.382 2.331 20 0 BEADMP Cc1ncccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000093089255 360216660 /nfs/dbraw/zinc/21/66/60/360216660.db2.gz GDXGJVCKLUKCGV-UHFFFAOYSA-N 2 1 247.386 2.164 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000309347138 491148209 /nfs/dbraw/zinc/14/82/09/491148209.db2.gz LZQRZICXZAOHLR-BNOWGMLFSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000309347138 491148210 /nfs/dbraw/zinc/14/82/10/491148210.db2.gz LZQRZICXZAOHLR-BNOWGMLFSA-N 2 1 224.392 2.493 20 0 BEADMP CC1(C)CCC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000149299041 360615487 /nfs/dbraw/zinc/61/54/87/360615487.db2.gz ADNXMSXBNJLJIT-NWDGAFQWSA-N 2 1 210.365 2.297 20 0 BEADMP CC1CC([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000161803976 360610258 /nfs/dbraw/zinc/61/02/58/360610258.db2.gz CZKKEYFJCCWXLD-XNYRDIBGSA-N 2 1 210.365 2.103 20 0 BEADMP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153763953 360778451 /nfs/dbraw/zinc/77/84/51/360778451.db2.gz WICISGAFBMOMTM-NWDGAFQWSA-N 2 1 210.365 2.391 20 0 BEADMP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000153763953 360778454 /nfs/dbraw/zinc/77/84/54/360778454.db2.gz WICISGAFBMOMTM-NWDGAFQWSA-N 2 1 210.365 2.391 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000414942749 200784609 /nfs/dbraw/zinc/78/46/09/200784609.db2.gz KPEXQJQOSIPSRW-LEWSCRJBSA-N 2 1 236.334 2.399 20 0 BEADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629407317 361055987 /nfs/dbraw/zinc/05/59/87/361055987.db2.gz XPUYVKSPNZJKKX-COPLHBTASA-N 2 1 236.334 2.097 20 0 BEADMP CC[C@H](Cc1cccs1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000629409177 361058383 /nfs/dbraw/zinc/05/83/83/361058383.db2.gz AKDZHEDOUHJVBZ-GHMZBOCLSA-N 2 1 224.373 2.021 20 0 BEADMP c1ccc(C[C@H]2CCC[C@@H]2[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000629409834 361059331 /nfs/dbraw/zinc/05/93/31/361059331.db2.gz QKVRXHYFZWJNQZ-OAGGEKHMSA-N 2 1 244.382 2.349 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)CCCOC ZINC000309662139 491154092 /nfs/dbraw/zinc/15/40/92/491154092.db2.gz RRMXSONBGUMHDX-QWHCGFSZSA-N 2 1 230.396 2.121 20 0 BEADMP CCC[C@H](C)CCC[N@H+]1CCC[NH2+]CC1 ZINC000629505903 361100914 /nfs/dbraw/zinc/10/09/14/361100914.db2.gz PZUFRXQWDKLYQY-ZDUSSCGKSA-N 2 1 212.381 2.498 20 0 BEADMP CCC[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)OCC ZINC000629515888 361109900 /nfs/dbraw/zinc/10/99/00/361109900.db2.gz VTXDUMGRXNGFCR-MELADBBJSA-N 2 1 242.407 2.312 20 0 BEADMP Cc1ccc(C[NH2+][C@](C)(C[NH3+])C2CC2)cc1F ZINC000629514177 361111173 /nfs/dbraw/zinc/11/11/73/361111173.db2.gz JYCRNPMPCTULAE-CQSZACIVSA-N 2 1 236.334 2.351 20 0 BEADMP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCCc2ncccc21 ZINC000631578254 361114059 /nfs/dbraw/zinc/11/40/59/361114059.db2.gz YUCYCJHBBFAAEV-WFASDCNBSA-N 2 1 247.386 2.389 20 0 BEADMP C1CC1C1([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000309697901 491154621 /nfs/dbraw/zinc/15/46/21/491154621.db2.gz RXSVCAUIELJUKA-STQMWFEESA-N 2 1 220.360 2.145 20 0 BEADMP CSCC[C@@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000158593415 361205407 /nfs/dbraw/zinc/20/54/07/361205407.db2.gz TVJQWPZLIFKOQQ-LLVKDONJSA-N 2 1 230.421 2.059 20 0 BEADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CSC1 ZINC000309747742 491155953 /nfs/dbraw/zinc/15/59/53/491155953.db2.gz GBEJWPNFRYQNCW-LBPRGKRZSA-N 2 1 242.432 2.346 20 0 BEADMP CC1(C)CC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000336658154 361319998 /nfs/dbraw/zinc/31/99/98/361319998.db2.gz MLAIQVVELMRROV-XQQFMLRXSA-N 2 1 222.376 2.391 20 0 BEADMP CC1(C)CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000336658154 361320005 /nfs/dbraw/zinc/32/00/05/361320005.db2.gz MLAIQVVELMRROV-XQQFMLRXSA-N 2 1 222.376 2.391 20 0 BEADMP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000336658152 361320397 /nfs/dbraw/zinc/32/03/97/361320397.db2.gz MLAIQVVELMRROV-UPJWGTAASA-N 2 1 222.376 2.391 20 0 BEADMP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000336658152 361320399 /nfs/dbraw/zinc/32/03/99/361320399.db2.gz MLAIQVVELMRROV-UPJWGTAASA-N 2 1 222.376 2.391 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](C)C(C)(C)COC ZINC000429263008 201086789 /nfs/dbraw/zinc/08/67/89/201086789.db2.gz HWKXQEFSMHQUMG-UHFFFAOYSA-N 2 1 230.396 2.075 20 0 BEADMP C[NH+](C)[C@H]1CCC[N@H+](CCC(F)(F)F)CC1 ZINC000429545537 201111613 /nfs/dbraw/zinc/11/16/13/201111613.db2.gz FUFCWEVOIHNXHW-JTQLQIEISA-N 2 1 238.297 2.355 20 0 BEADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(F)(F)F)CC1 ZINC000429545537 201111615 /nfs/dbraw/zinc/11/16/15/201111615.db2.gz FUFCWEVOIHNXHW-JTQLQIEISA-N 2 1 238.297 2.355 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC23CCCC3)C[NH2+]1 ZINC000629542707 361420278 /nfs/dbraw/zinc/42/02/78/361420278.db2.gz JOBIVGRTQJDJPN-AGIUHOORSA-N 2 1 222.376 2.439 20 0 BEADMP CC(C)C1CC([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000629542738 361420817 /nfs/dbraw/zinc/42/08/17/361420817.db2.gz KKMKGRMCFKMIBG-GMKTYKIGSA-N 2 1 210.365 2.151 20 0 BEADMP CC1(C)CC(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000629554093 361439801 /nfs/dbraw/zinc/43/98/01/361439801.db2.gz ZDQHHCHCRWPHQQ-GXTWGEPZSA-N 2 1 222.376 2.236 20 0 BEADMP CC1(C)CC(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000629554095 361440325 /nfs/dbraw/zinc/44/03/25/361440325.db2.gz ZDQHHCHCRWPHQQ-JSGCOSHPSA-N 2 1 222.376 2.236 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](CCCc2ccccc2C)C1 ZINC000430941213 201158868 /nfs/dbraw/zinc/15/88/68/201158868.db2.gz VABODEPXKUPEEZ-OAHLLOKOSA-N 2 1 246.398 2.469 20 0 BEADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCCC2(CC2)CC1 ZINC000629586133 361475324 /nfs/dbraw/zinc/47/53/24/361475324.db2.gz LCZXUFMAKBDFDR-CYBMUJFWSA-N 2 1 222.376 2.252 20 0 BEADMP C/C=C/C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000629595410 361481871 /nfs/dbraw/zinc/48/18/71/361481871.db2.gz OPHSVGUFXFFHMS-GWSUEFFPSA-N 2 1 222.376 2.274 20 0 BEADMP C/C=C\C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000629595408 361481917 /nfs/dbraw/zinc/48/19/17/361481917.db2.gz OPHSVGUFXFFHMS-DTSKHDKYSA-N 2 1 222.376 2.274 20 0 BEADMP CC1(C)CC(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000629595825 361483839 /nfs/dbraw/zinc/48/38/39/361483839.db2.gz QZHXKRSWMXMROY-GASCZTMLSA-N 2 1 236.403 2.354 20 0 BEADMP CC[C@H](C[NH2+][C@H](C)C(C)C)[NH+]1CCCC1 ZINC000151669452 201166187 /nfs/dbraw/zinc/16/61/87/201166187.db2.gz KNQFRXPGOHHOLR-CHWSQXEVSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H](C[NH2+]CC[NH2+]C(C)(C)C)c1ccncc1 ZINC000629654217 361554919 /nfs/dbraw/zinc/55/49/19/361554919.db2.gz CMKKUKIAPKYEOH-LBPRGKRZSA-N 2 1 235.375 2.163 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(F)cc1 ZINC000629672781 361614543 /nfs/dbraw/zinc/61/45/43/361614543.db2.gz ZANKQWIWGQSNDO-UHIISALHSA-N 2 1 236.334 2.269 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)C1CC(C)(C)C1 ZINC000448557425 201264138 /nfs/dbraw/zinc/26/41/38/201264138.db2.gz UHMJCLQKFLPNEB-UHFFFAOYSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)C1CC(C)(C)C1 ZINC000448557425 201264142 /nfs/dbraw/zinc/26/41/42/201264142.db2.gz UHMJCLQKFLPNEB-UHFFFAOYSA-N 2 1 221.348 2.312 20 0 BEADMP CC[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]CC1 ZINC000435389682 201267187 /nfs/dbraw/zinc/26/71/87/201267187.db2.gz LUSRKFGGGKQLBD-AWEZNQCLSA-N 2 1 233.359 2.046 20 0 BEADMP C[NH2+]CCC[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000435885315 201289766 /nfs/dbraw/zinc/28/97/66/201289766.db2.gz IOMVSOARINBSBY-CYBMUJFWSA-N 2 1 235.375 2.286 20 0 BEADMP CO[C@@H]1CCC[C@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C1 ZINC000310466801 491161590 /nfs/dbraw/zinc/16/15/90/491161590.db2.gz XQQSWZJFODXXLU-HZSPNIEDSA-N 2 1 242.407 2.262 20 0 BEADMP CO[C@@H]1CCC[C@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000310466801 491161591 /nfs/dbraw/zinc/16/15/91/491161591.db2.gz XQQSWZJFODXXLU-HZSPNIEDSA-N 2 1 242.407 2.262 20 0 BEADMP c1cc2[nH+]ccc(N3C[C@H]4CC[C@@H](C3)[NH2+]4)c2s1 ZINC000630385587 364098631 /nfs/dbraw/zinc/09/86/31/364098631.db2.gz MLTUXWPOFRFIQY-AOOOYVTPSA-N 2 1 245.351 2.237 20 0 BEADMP [NH3+]CC(F)(F)CNc1cc[nH+]c2ccccc12 ZINC000162695995 181357033 /nfs/dbraw/zinc/35/70/33/181357033.db2.gz DEXGHKBKEGGZGO-UHFFFAOYSA-N 2 1 237.253 2.241 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C1CCCC1 ZINC000398952622 364279461 /nfs/dbraw/zinc/27/94/61/364279461.db2.gz FHDLECDDSUYUDF-WZRBSPASSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C[NH2+]1 ZINC000398966808 364376800 /nfs/dbraw/zinc/37/68/00/364376800.db2.gz RSMHJGLQGWUPSO-UTUOFQBUSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CC2CCCCC2)C[NH2+]1 ZINC000398974256 364401099 /nfs/dbraw/zinc/40/10/99/364401099.db2.gz XYGXMIBDNGFSIH-YPMHNXCESA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H](C2CC2)C2CCC2)C[NH2+]1 ZINC000399035033 364737106 /nfs/dbraw/zinc/73/71/06/364737106.db2.gz NOMZRUAOFUZCJC-SWHYSGLUSA-N 2 1 222.376 2.295 20 0 BEADMP CC[N@H+](CC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000573653530 364883792 /nfs/dbraw/zinc/88/37/92/364883792.db2.gz WPUJHUHXGBRUGF-WDNDVIMCSA-N 2 1 242.407 2.262 20 0 BEADMP CC[N@@H+](CC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000573653530 364883798 /nfs/dbraw/zinc/88/37/98/364883798.db2.gz WPUJHUHXGBRUGF-WDNDVIMCSA-N 2 1 242.407 2.262 20 0 BEADMP Cc1ccc(CC[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000573931521 364949488 /nfs/dbraw/zinc/94/94/88/364949488.db2.gz XAIWMECWOHUNQY-HIFRSBDPSA-N 2 1 232.371 2.349 20 0 BEADMP [NH3+]CCC[N@H+](Cc1ccccn1)CC1CCCC1 ZINC000352478598 181379254 /nfs/dbraw/zinc/37/92/54/181379254.db2.gz YMWCHIFICPIPHM-UHFFFAOYSA-N 2 1 247.386 2.423 20 0 BEADMP [NH3+]CCC[N@H+](Cc1ccncc1)CC1CCCC1 ZINC000352534083 181379694 /nfs/dbraw/zinc/37/96/94/181379694.db2.gz CVXXPNFHPCAAJJ-UHFFFAOYSA-N 2 1 247.386 2.423 20 0 BEADMP NCC[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000335566400 181397952 /nfs/dbraw/zinc/39/79/52/181397952.db2.gz UDJYVALRWMZLPI-LBPRGKRZSA-N 2 1 224.735 2.266 20 0 BEADMP [NH3+]CC[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000335566400 181397954 /nfs/dbraw/zinc/39/79/54/181397954.db2.gz UDJYVALRWMZLPI-LBPRGKRZSA-N 2 1 224.735 2.266 20 0 BEADMP CCc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000574822934 365153411 /nfs/dbraw/zinc/15/34/11/365153411.db2.gz PRDGYBVXZMGIBY-UHFFFAOYSA-N 2 1 232.371 2.434 20 0 BEADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000579580651 366887106 /nfs/dbraw/zinc/88/71/06/366887106.db2.gz OFOURUSJGMJLPC-SNVBAGLBSA-N 2 1 241.766 2.385 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+]C(C2CC2)C2CC2)C1 ZINC000579567400 366877684 /nfs/dbraw/zinc/87/76/84/366877684.db2.gz VULVWLOPXVMCPL-GFCCVEGCSA-N 2 1 236.403 2.497 20 0 BEADMP CC1(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000579958580 367103766 /nfs/dbraw/zinc/10/37/66/367103766.db2.gz KMBWOKDXWBCQMK-CHWSQXEVSA-N 2 1 222.376 2.108 20 0 BEADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1noc2ccccc21 ZINC000579972792 367109729 /nfs/dbraw/zinc/10/97/29/367109729.db2.gz KEXAFHKXYBWCOM-JQWIXIFHSA-N 2 1 245.326 2.045 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@@H]1C ZINC000380669939 367276300 /nfs/dbraw/zinc/27/63/00/367276300.db2.gz KXHAGPLNWSLCBW-FDYHWXHSSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C(C)(C)C1 ZINC000380504661 367225210 /nfs/dbraw/zinc/22/52/10/367225210.db2.gz IDPWOPIMJBAKRU-XQQFMLRXSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@@H]1C ZINC000380806859 367306326 /nfs/dbraw/zinc/30/63/26/367306326.db2.gz QNEYGBMOYSWATM-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@H]1CCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000381357997 367387583 /nfs/dbraw/zinc/38/75/83/367387583.db2.gz DTBPOCUVBJMZJG-UONOGXRCSA-N 2 1 222.376 2.417 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000381390374 367392531 /nfs/dbraw/zinc/39/25/31/367392531.db2.gz NYXUNEYPERYAFS-MJBXVCDLSA-N 2 1 224.392 2.495 20 0 BEADMP C(=C\c1ccccc1)\C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000381418188 367399819 /nfs/dbraw/zinc/39/98/19/367399819.db2.gz ACBSYRKGRYGNKV-HTEAGGNKSA-N 2 1 242.366 2.384 20 0 BEADMP C(=C\c1ccccc1)\C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000381418188 367399823 /nfs/dbraw/zinc/39/98/23/367399823.db2.gz ACBSYRKGRYGNKV-HTEAGGNKSA-N 2 1 242.366 2.384 20 0 BEADMP CC1(C)CCC[C@@H](C[N@@H+]2CC[C@H]([NH3+])C2)C1 ZINC000381450133 367407740 /nfs/dbraw/zinc/40/77/40/367407740.db2.gz HDNIWVNUKKYEIR-NEPJUHHUSA-N 2 1 210.365 2.236 20 0 BEADMP CC1(C)CCC[C@@H](C[N@H+]2CC[C@H]([NH3+])C2)C1 ZINC000381450133 367407743 /nfs/dbraw/zinc/40/77/43/367407743.db2.gz HDNIWVNUKKYEIR-NEPJUHHUSA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000382789848 367557739 /nfs/dbraw/zinc/55/77/39/367557739.db2.gz OJCXLXBSJPKAGI-CHWSQXEVSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3ccccc3C2)C[NH2+]1 ZINC000399129540 367598408 /nfs/dbraw/zinc/59/84/08/367598408.db2.gz VWKPTLCPTCSXEC-UHOFOFEASA-N 2 1 244.382 2.274 20 0 BEADMP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399135661 367645753 /nfs/dbraw/zinc/64/57/53/367645753.db2.gz QPCCXMUIGAUDIN-NQBHXWOUSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@@H](c1ccncc1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000383923012 367659802 /nfs/dbraw/zinc/65/98/02/367659802.db2.gz HXOXLXGVPCRTBH-RDBSUJKOSA-N 2 1 247.386 2.463 20 0 BEADMP C[C@H]1CCC[C@@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000385373268 367823578 /nfs/dbraw/zinc/82/35/78/367823578.db2.gz LNRKSYFCUZJARV-DGAVXFQQSA-N 2 1 222.376 2.106 20 0 BEADMP CC1(C)CCC(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000385405495 367826414 /nfs/dbraw/zinc/82/64/14/367826414.db2.gz XPKNMHJGHMCFJN-KGLIPLIRSA-N 2 1 236.403 2.497 20 0 BEADMP CC1(C)CCC(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000385405495 367826420 /nfs/dbraw/zinc/82/64/20/367826420.db2.gz XPKNMHJGHMCFJN-KGLIPLIRSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H](CCc1ccco1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399187848 367894510 /nfs/dbraw/zinc/89/45/10/367894510.db2.gz OGOVMFNLNSLRDG-UPJWGTAASA-N 2 1 236.359 2.331 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+](CC(F)F)C2CC2)CC[NH2+]1 ZINC000386979896 368041134 /nfs/dbraw/zinc/04/11/34/368041134.db2.gz ZKGMYJMZTASEDK-NXEZZACHSA-N 2 1 232.318 2.104 20 0 BEADMP C[C@@H]1C[C@H](C[N@@H+](CC(F)F)C2CC2)CC[NH2+]1 ZINC000386979896 368041135 /nfs/dbraw/zinc/04/11/35/368041135.db2.gz ZKGMYJMZTASEDK-NXEZZACHSA-N 2 1 232.318 2.104 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)s1 ZINC000086884432 368886871 /nfs/dbraw/zinc/88/68/71/368886871.db2.gz BPPVLRLHXLUTFQ-MFKMUULPSA-N 2 1 238.400 2.480 20 0 BEADMP Cc1ccncc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656836 368996419 /nfs/dbraw/zinc/99/64/19/368996419.db2.gz CUYRIARJVAYNIM-CQSZACIVSA-N 2 1 247.386 2.212 20 0 BEADMP Cc1ccncc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623656836 368996423 /nfs/dbraw/zinc/99/64/23/368996423.db2.gz CUYRIARJVAYNIM-CQSZACIVSA-N 2 1 247.386 2.212 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@H]1C[C@H]1C ZINC000623657273 368997888 /nfs/dbraw/zinc/99/78/88/368997888.db2.gz MNZNXGOUYWTIMB-SYQHCUMBSA-N 2 1 224.392 2.352 20 0 BEADMP CCCn1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000091013034 369004108 /nfs/dbraw/zinc/00/41/08/369004108.db2.gz JNVPHGVDHNNKOH-CQSZACIVSA-N 2 1 249.402 2.330 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(C)n1 ZINC000631824191 368987538 /nfs/dbraw/zinc/98/75/38/368987538.db2.gz YJQASIAHMPZSQK-GXTWGEPZSA-N 2 1 247.386 2.176 20 0 BEADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000623655208 368989831 /nfs/dbraw/zinc/98/98/31/368989831.db2.gz RGJZSLBXACFBLE-AWEZNQCLSA-N 2 1 248.370 2.214 20 0 BEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000623655208 368989835 /nfs/dbraw/zinc/98/98/35/368989835.db2.gz RGJZSLBXACFBLE-AWEZNQCLSA-N 2 1 248.370 2.214 20 0 BEADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCSCC2)C1 ZINC000623655811 368990989 /nfs/dbraw/zinc/99/09/89/368990989.db2.gz GBLOMNPUHTVLAE-GFCCVEGCSA-N 2 1 242.432 2.204 20 0 BEADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCCC2)C1 ZINC000623655747 368991790 /nfs/dbraw/zinc/99/17/90/368991790.db2.gz DOEWPAJNALNTRT-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656343 368992913 /nfs/dbraw/zinc/99/29/13/368992913.db2.gz SFHFTFUTXJPCJT-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1ncccc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656329 368993807 /nfs/dbraw/zinc/99/38/07/368993807.db2.gz SAYDOSDCGYMVBI-CQSZACIVSA-N 2 1 247.386 2.212 20 0 BEADMP Cc1ncccc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623656329 368993812 /nfs/dbraw/zinc/99/38/12/368993812.db2.gz SAYDOSDCGYMVBI-CQSZACIVSA-N 2 1 247.386 2.212 20 0 BEADMP C[C@@H]1C[N@@H+](CCC(C)(C)C2CC2)C[C@H]1C[NH3+] ZINC000631838047 369114308 /nfs/dbraw/zinc/11/43/08/369114308.db2.gz YVLYQWMHUAAIBZ-VXGBXAGGSA-N 2 1 224.392 2.339 20 0 BEADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cccnc1 ZINC000567490136 326203172 /nfs/dbraw/zinc/20/31/72/326203172.db2.gz UQPVGULIYRKDES-LBPRGKRZSA-N 2 1 221.348 2.120 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC(C2CC2)C2CC2)CC[N@H+]1C ZINC000156602246 326236895 /nfs/dbraw/zinc/23/68/95/326236895.db2.gz IUESWCRPDJRQHM-BXUZGUMPSA-N 2 1 236.403 2.495 20 0 BEADMP CS[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459455403 203283829 /nfs/dbraw/zinc/28/38/29/203283829.db2.gz ZAPULAIIHFTWHM-CHWSQXEVSA-N 2 1 240.416 2.097 20 0 BEADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623676814 369366808 /nfs/dbraw/zinc/36/68/08/369366808.db2.gz FZZJBFKVNLRFLK-SCRDCRAPSA-N 2 1 240.391 2.016 20 0 BEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCCC2)C1 ZINC000459738682 203350077 /nfs/dbraw/zinc/35/00/77/203350077.db2.gz SCQVSLFKVWWFHP-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP CC[C@@H](C)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459723597 203343192 /nfs/dbraw/zinc/34/31/92/203343192.db2.gz AGPISJSQXYJKFF-CHWSQXEVSA-N 2 1 212.381 2.354 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCSCC2)C1 ZINC000459730501 203343643 /nfs/dbraw/zinc/34/36/43/203343643.db2.gz KJIDKMZBMZUUBH-GFCCVEGCSA-N 2 1 242.432 2.204 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459795036 203373385 /nfs/dbraw/zinc/37/33/85/203373385.db2.gz XGVGBIPVMITCNQ-MQYQWHSLSA-N 2 1 222.376 2.249 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C1CC1 ZINC000166324305 203387847 /nfs/dbraw/zinc/38/78/47/203387847.db2.gz CFKMIRVWOIUUAP-OLZOCXBDSA-N 2 1 210.365 2.105 20 0 BEADMP Cc1ncccc1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623703381 369867638 /nfs/dbraw/zinc/86/76/38/369867638.db2.gz LVLTZZUFPBTAFP-AWEZNQCLSA-N 2 1 247.386 2.352 20 0 BEADMP Cc1ncccc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623703381 369867644 /nfs/dbraw/zinc/86/76/44/369867644.db2.gz LVLTZZUFPBTAFP-AWEZNQCLSA-N 2 1 247.386 2.352 20 0 BEADMP C[C@H](c1cccnc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252860998 370136932 /nfs/dbraw/zinc/13/69/32/370136932.db2.gz NGDLLRXNSMOKIJ-UQOMUDLDSA-N 2 1 245.370 2.202 20 0 BEADMP C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000253095951 370148386 /nfs/dbraw/zinc/14/83/86/370148386.db2.gz LESAHKZIPUPBGK-RQJABVFESA-N 2 1 224.392 2.352 20 0 BEADMP CCSCC[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000309635127 370237523 /nfs/dbraw/zinc/23/75/23/370237523.db2.gz MBNKKXNVLFCJNE-VXGBXAGGSA-N 2 1 230.421 2.059 20 0 BEADMP CC1CC(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000621384334 370328435 /nfs/dbraw/zinc/32/84/35/370328435.db2.gz CCIHNBZXGNMDBN-HOAMVYINSA-N 2 1 222.376 2.249 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CC(C)C2)[C@H](C)C1 ZINC000621739714 370496819 /nfs/dbraw/zinc/49/68/19/370496819.db2.gz UHDXQWVWWIRZHZ-FKZOYECMSA-N 2 1 224.392 2.352 20 0 BEADMP COCCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120522 371321746 /nfs/dbraw/zinc/32/17/46/371321746.db2.gz BBUYNTLIEVKNJV-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccccn1 ZINC000624121866 371323687 /nfs/dbraw/zinc/32/36/87/371323687.db2.gz DZENJSXNZAUYCC-ZIAGYGMSSA-N 2 1 247.386 2.464 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccn1 ZINC000624121866 371323694 /nfs/dbraw/zinc/32/36/94/371323694.db2.gz DZENJSXNZAUYCC-ZIAGYGMSSA-N 2 1 247.386 2.464 20 0 BEADMP COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123195 371324175 /nfs/dbraw/zinc/32/41/75/371324175.db2.gz HSICNQFWVAIFLH-CHWSQXEVSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)[C@@H]1C ZINC000624124119 371324757 /nfs/dbraw/zinc/32/47/57/371324757.db2.gz XTDSHSXYNFRKQQ-MQYQWHSLSA-N 2 1 224.392 2.352 20 0 BEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000631827870 372607967 /nfs/dbraw/zinc/60/79/67/372607967.db2.gz YHWRFBCNFZOLEX-VHSXEESVSA-N 2 1 234.334 2.385 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c(C)n1 ZINC000631829362 372611456 /nfs/dbraw/zinc/61/14/56/372611456.db2.gz OTKUWJCLZGCBDU-TZMCWYRMSA-N 2 1 247.386 2.318 20 0 BEADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCC(F)(F)C1)C2 ZINC000631829879 372612836 /nfs/dbraw/zinc/61/28/36/372612836.db2.gz CLTHGTRRPQQNHL-WOPDTQHZSA-N 2 1 244.329 2.235 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C[NH3+] ZINC000631837293 372627060 /nfs/dbraw/zinc/62/70/60/372627060.db2.gz ADCWMLSDGJHGNN-BLLLJJGKSA-N 2 1 244.382 2.202 20 0 BEADMP C[C@H](c1cccc(F)c1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839371 372635512 /nfs/dbraw/zinc/63/55/12/372635512.db2.gz FPLXSOGBFIQVLW-NQBHXWOUSA-N 2 1 236.334 2.413 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCCC1CCCC1 ZINC000631860564 372659755 /nfs/dbraw/zinc/65/97/55/372659755.db2.gz KYCWPYIFAMUSQP-YPMHNXCESA-N 2 1 210.365 2.378 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCCC1CCCC1 ZINC000631860564 372659763 /nfs/dbraw/zinc/65/97/63/372659763.db2.gz KYCWPYIFAMUSQP-YPMHNXCESA-N 2 1 210.365 2.378 20 0 BEADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCCC1CCCC1 ZINC000631860561 372660378 /nfs/dbraw/zinc/66/03/78/372660378.db2.gz KYCWPYIFAMUSQP-AAEUAGOBSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCCC1CCCC1 ZINC000631860561 372660381 /nfs/dbraw/zinc/66/03/81/372660381.db2.gz KYCWPYIFAMUSQP-AAEUAGOBSA-N 2 1 210.365 2.378 20 0 BEADMP CCc1ccc(CC[N@@H+]2C[C@H]([NH3+])C[C@H]2C)cc1 ZINC000631860325 372660419 /nfs/dbraw/zinc/66/04/19/372660419.db2.gz JKCSRKSPJPHIRH-IUODEOHRSA-N 2 1 232.371 2.213 20 0 BEADMP CCc1ccc(CC[N@H+]2C[C@H]([NH3+])C[C@H]2C)cc1 ZINC000631860325 372660425 /nfs/dbraw/zinc/66/04/25/372660425.db2.gz JKCSRKSPJPHIRH-IUODEOHRSA-N 2 1 232.371 2.213 20 0 BEADMP c1ccc(CCC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000631869625 372672244 /nfs/dbraw/zinc/67/22/44/372672244.db2.gz PCQRBTCKBRFVLV-CVEARBPZSA-N 2 1 244.382 2.351 20 0 BEADMP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)C1CCC1 ZINC000631890471 372674792 /nfs/dbraw/zinc/67/47/92/372674792.db2.gz PTLFTJKFNCIUHT-KGLIPLIRSA-N 2 1 222.376 2.251 20 0 BEADMP C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)C1CCC1 ZINC000631890471 372674797 /nfs/dbraw/zinc/67/47/97/372674797.db2.gz PTLFTJKFNCIUHT-KGLIPLIRSA-N 2 1 222.376 2.251 20 0 BEADMP Fc1ccccc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631884462 372679289 /nfs/dbraw/zinc/67/92/89/372679289.db2.gz JVIDHJCGAVCNIU-IUODEOHRSA-N 2 1 248.345 2.400 20 0 BEADMP Fc1ccccc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631884462 372679292 /nfs/dbraw/zinc/67/92/92/372679292.db2.gz JVIDHJCGAVCNIU-IUODEOHRSA-N 2 1 248.345 2.400 20 0 BEADMP Fc1ccccc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631884464 372679406 /nfs/dbraw/zinc/67/94/06/372679406.db2.gz JVIDHJCGAVCNIU-WFASDCNBSA-N 2 1 248.345 2.400 20 0 BEADMP Fc1ccccc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631884464 372679409 /nfs/dbraw/zinc/67/94/09/372679409.db2.gz JVIDHJCGAVCNIU-WFASDCNBSA-N 2 1 248.345 2.400 20 0 BEADMP CCCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631883945 372679632 /nfs/dbraw/zinc/67/96/32/372679632.db2.gz DQVZBBFVKZTZSK-OLZOCXBDSA-N 2 1 210.365 2.251 20 0 BEADMP CCCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631883945 372679636 /nfs/dbraw/zinc/67/96/36/372679636.db2.gz DQVZBBFVKZTZSK-OLZOCXBDSA-N 2 1 210.365 2.251 20 0 BEADMP C(C1CCCC1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631885917 372682247 /nfs/dbraw/zinc/68/22/47/372682247.db2.gz CQZKHPHEAVBMGR-ZIAGYGMSSA-N 2 1 222.376 2.251 20 0 BEADMP C(C1CCCC1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631885917 372682253 /nfs/dbraw/zinc/68/22/53/372682253.db2.gz CQZKHPHEAVBMGR-ZIAGYGMSSA-N 2 1 222.376 2.251 20 0 BEADMP CCC(CC)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890896 372685840 /nfs/dbraw/zinc/68/58/40/372685840.db2.gz UKTZBOFBJFCVSJ-ZIAGYGMSSA-N 2 1 224.392 2.497 20 0 BEADMP CCC(CC)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890896 372685843 /nfs/dbraw/zinc/68/58/43/372685843.db2.gz UKTZBOFBJFCVSJ-ZIAGYGMSSA-N 2 1 224.392 2.497 20 0 BEADMP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631891109 372686081 /nfs/dbraw/zinc/68/60/81/372686081.db2.gz WCFWXMWQYFSMHG-JKJDWNRSSA-N 2 1 248.414 2.497 20 0 BEADMP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631891109 372686089 /nfs/dbraw/zinc/68/60/89/372686089.db2.gz WCFWXMWQYFSMHG-JKJDWNRSSA-N 2 1 248.414 2.497 20 0 BEADMP C(C1CC1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246433221 374260219 /nfs/dbraw/zinc/26/02/19/374260219.db2.gz CSKBTEYENJBTKP-UKRRQHHQSA-N 2 1 234.387 2.345 20 0 BEADMP C(C1CC1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246433221 374260226 /nfs/dbraw/zinc/26/02/26/374260226.db2.gz CSKBTEYENJBTKP-UKRRQHHQSA-N 2 1 234.387 2.345 20 0 BEADMP C(C1CC1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246433221 374260230 /nfs/dbraw/zinc/26/02/30/374260230.db2.gz CSKBTEYENJBTKP-UKRRQHHQSA-N 2 1 234.387 2.345 20 0 BEADMP C[C@H]1CCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000246575209 374276799 /nfs/dbraw/zinc/27/67/99/374276799.db2.gz CAJNOULRPRSQJJ-QWHCGFSZSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000246575209 374276809 /nfs/dbraw/zinc/27/68/09/374276809.db2.gz CAJNOULRPRSQJJ-QWHCGFSZSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000246575209 374276817 /nfs/dbraw/zinc/27/68/17/374276817.db2.gz CAJNOULRPRSQJJ-QWHCGFSZSA-N 2 1 210.365 2.345 20 0 BEADMP CCc1cc(N(C)CC[N@@H+](C)C2CC2)cc[nH+]1 ZINC000450448708 206102736 /nfs/dbraw/zinc/10/27/36/206102736.db2.gz CVEGCHWGFZTDSW-UHFFFAOYSA-N 2 1 233.359 2.174 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)C(C)C ZINC000167306693 206145515 /nfs/dbraw/zinc/14/55/15/206145515.db2.gz SIAQOTCTOAKVRD-VXGBXAGGSA-N 2 1 223.364 2.462 20 0 BEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC2CC2)C1 ZINC000336668547 169078879 /nfs/dbraw/zinc/07/88/79/169078879.db2.gz PCQOUJZYDNKCQT-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC000336668547 169078880 /nfs/dbraw/zinc/07/88/80/169078880.db2.gz PCQOUJZYDNKCQT-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC000336668547 169078882 /nfs/dbraw/zinc/07/88/82/169078882.db2.gz PCQOUJZYDNKCQT-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000353491087 169127328 /nfs/dbraw/zinc/12/73/28/169127328.db2.gz RNBUGZRFWBLHMN-IHRRRGAJSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000353491087 169127330 /nfs/dbraw/zinc/12/73/30/169127330.db2.gz RNBUGZRFWBLHMN-IHRRRGAJSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000353480163 169126878 /nfs/dbraw/zinc/12/68/78/169126878.db2.gz HXJBZMFIQCQMCS-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000353480163 169126881 /nfs/dbraw/zinc/12/68/81/169126881.db2.gz HXJBZMFIQCQMCS-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CC[C@@H]1CC ZINC000336756114 169124057 /nfs/dbraw/zinc/12/40/57/169124057.db2.gz IKCBZDWUNQABCN-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CC[C@@H]1CC ZINC000336756114 169124060 /nfs/dbraw/zinc/12/40/60/169124060.db2.gz IKCBZDWUNQABCN-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000353084609 169127917 /nfs/dbraw/zinc/12/79/17/169127917.db2.gz URDZZDBQTPTXDK-BFHYXJOUSA-N 2 1 242.407 2.264 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000353084609 169127920 /nfs/dbraw/zinc/12/79/20/169127920.db2.gz URDZZDBQTPTXDK-BFHYXJOUSA-N 2 1 242.407 2.264 20 0 BEADMP CCC[N@@H+](CCC[NH3+])Cc1ccc(OC)cc1 ZINC000036731880 169156661 /nfs/dbraw/zinc/15/66/61/169156661.db2.gz WSAAODUQTBGADB-UHFFFAOYSA-N 2 1 236.359 2.256 20 0 BEADMP Oc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000106868789 183292030 /nfs/dbraw/zinc/29/20/30/183292030.db2.gz IDYZSKAPXKDQTI-UONOGXRCSA-N 2 1 246.354 2.109 20 0 BEADMP Oc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106868789 183292032 /nfs/dbraw/zinc/29/20/32/183292032.db2.gz IDYZSKAPXKDQTI-UONOGXRCSA-N 2 1 246.354 2.109 20 0 BEADMP CCC[NH+]1CCC([N@@H+](C)CCCOCC)CC1 ZINC000119608430 169186754 /nfs/dbraw/zinc/18/67/54/169186754.db2.gz DFICWUWSZNWVPS-UHFFFAOYSA-N 2 1 242.407 2.219 20 0 BEADMP c1c[nH]c([C@@H]2CCC[N@H+](CCC3CC3)C2)n1 ZINC000336665913 183326522 /nfs/dbraw/zinc/32/65/22/183326522.db2.gz JPTOFUGWAFXSQG-GFCCVEGCSA-N 2 1 219.332 2.389 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCCC1 ZINC000336747972 169196555 /nfs/dbraw/zinc/19/65/55/169196555.db2.gz CFMHXIGZPGRSMU-CYBMUJFWSA-N 2 1 210.365 2.393 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCCC1 ZINC000336747972 169196557 /nfs/dbraw/zinc/19/65/57/169196557.db2.gz CFMHXIGZPGRSMU-CYBMUJFWSA-N 2 1 210.365 2.393 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H]1C[C@@H]1C ZINC000336756599 169196617 /nfs/dbraw/zinc/19/66/17/169196617.db2.gz ITFUJPQKVHRFIK-YNEHKIRRSA-N 2 1 210.365 2.106 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H]1C[C@@H]1C ZINC000336756599 169196618 /nfs/dbraw/zinc/19/66/18/169196618.db2.gz ITFUJPQKVHRFIK-YNEHKIRRSA-N 2 1 210.365 2.106 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCO[C@H](C)C1 ZINC000353133620 169196724 /nfs/dbraw/zinc/19/67/24/169196724.db2.gz DXAMGRZRLDYHGQ-HZSPNIEDSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCO[C@H](C)C1 ZINC000353133620 169196725 /nfs/dbraw/zinc/19/67/25/169196725.db2.gz DXAMGRZRLDYHGQ-HZSPNIEDSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOCC1 ZINC000353987296 169196732 /nfs/dbraw/zinc/19/67/32/169196732.db2.gz OPLFIQLDLHKNME-UONOGXRCSA-N 2 1 240.391 2.020 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOCC1 ZINC000353987296 169196733 /nfs/dbraw/zinc/19/67/33/169196733.db2.gz OPLFIQLDLHKNME-UONOGXRCSA-N 2 1 240.391 2.020 20 0 BEADMP CCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157450853 169198453 /nfs/dbraw/zinc/19/84/53/169198453.db2.gz BUYPMIVJFCUHGT-ZDUSSCGKSA-N 2 1 210.365 2.347 20 0 BEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccnc2)C1 ZINC000245621296 169208833 /nfs/dbraw/zinc/20/88/33/169208833.db2.gz RJQWZKLVQPNWJF-ZIAGYGMSSA-N 2 1 247.386 2.464 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccnc2)C1 ZINC000245621296 169208835 /nfs/dbraw/zinc/20/88/35/169208835.db2.gz RJQWZKLVQPNWJF-ZIAGYGMSSA-N 2 1 247.386 2.464 20 0 BEADMP c1ccc(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000311204925 183392580 /nfs/dbraw/zinc/39/25/80/183392580.db2.gz IYWZEXSKZRGBHB-IYBDPMFKSA-N 2 1 244.382 2.161 20 0 BEADMP c1ccc(CC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000067674190 183393208 /nfs/dbraw/zinc/39/32/08/183393208.db2.gz CURGXZNSJBBSAH-INIZCTEOSA-N 2 1 244.382 2.305 20 0 BEADMP CCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037485345 169370943 /nfs/dbraw/zinc/37/09/43/169370943.db2.gz KLFYBJYPRHYDQQ-VXGBXAGGSA-N 2 1 210.365 2.249 20 0 BEADMP CCC[C@@H](C)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366486237 169359009 /nfs/dbraw/zinc/35/90/09/169359009.db2.gz CYEZBPYVHDEVDI-KGLIPLIRSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[C@@H](C)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366486237 169359011 /nfs/dbraw/zinc/35/90/11/169359011.db2.gz CYEZBPYVHDEVDI-KGLIPLIRSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[C@@H](C)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366486237 169359012 /nfs/dbraw/zinc/35/90/12/169359012.db2.gz CYEZBPYVHDEVDI-KGLIPLIRSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[C@@H](C)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000036790844 169364083 /nfs/dbraw/zinc/36/40/83/169364083.db2.gz ZPACDOVNIPIGJK-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[C@@H](C)[NH2+][C@H](C)C[NH+](CC)CC ZINC000045689639 169371400 /nfs/dbraw/zinc/37/14/00/169371400.db2.gz YHERBNPYOVUDLK-VXGBXAGGSA-N 2 1 200.370 2.495 20 0 BEADMP CCC[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)OC ZINC000356326048 169385234 /nfs/dbraw/zinc/38/52/34/169385234.db2.gz XJYDFRNCDJBFOO-AWEZNQCLSA-N 2 1 240.391 2.018 20 0 BEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000069723894 383841357 /nfs/dbraw/zinc/84/13/57/383841357.db2.gz MQCQBUTZPGTWDC-NSHDSACASA-N 2 1 224.373 2.309 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccccc2F)CC1 ZINC000345184531 383841896 /nfs/dbraw/zinc/84/18/96/383841896.db2.gz JRTYCBWBPUQVDH-UHFFFAOYSA-N 2 1 234.318 2.177 20 0 BEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccsc1 ZINC000069720685 383843877 /nfs/dbraw/zinc/84/38/77/383843877.db2.gz PPTAZJQTVZHGOA-LBPRGKRZSA-N 2 1 224.373 2.451 20 0 BEADMP NC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000301020434 383847376 /nfs/dbraw/zinc/84/73/76/383847376.db2.gz ZSWOBXWADCFZCG-MNOVXSKESA-N 2 1 232.318 2.235 20 0 BEADMP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000301020434 383847391 /nfs/dbraw/zinc/84/73/91/383847391.db2.gz ZSWOBXWADCFZCG-MNOVXSKESA-N 2 1 232.318 2.235 20 0 BEADMP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000301020434 383847397 /nfs/dbraw/zinc/84/73/97/383847397.db2.gz ZSWOBXWADCFZCG-MNOVXSKESA-N 2 1 232.318 2.235 20 0 BEADMP CC[N@@H+](CCNC(=[NH2+])Nc1ccccc1)C1CC1 ZINC000066246556 383853734 /nfs/dbraw/zinc/85/37/34/383853734.db2.gz RUVGVJPLQRUBNX-UHFFFAOYSA-N 2 1 246.358 2.107 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000087771475 383865195 /nfs/dbraw/zinc/86/51/95/383865195.db2.gz PPPFFLUGQOLAIT-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000309317077 383877459 /nfs/dbraw/zinc/87/74/59/383877459.db2.gz GGEQUFXQVFQHAZ-FPMFFAJLSA-N 2 1 218.344 2.130 20 0 BEADMP CC(C)[C@@H](C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000309285629 383833132 /nfs/dbraw/zinc/83/31/32/383833132.db2.gz URZKDSUOLHKYAU-LBPRGKRZSA-N 2 1 224.392 2.495 20 0 BEADMP C[N@@H+](CCc1ccccc1)CC1CC[NH2+]CC1 ZINC000088195262 383884916 /nfs/dbraw/zinc/88/49/16/383884916.db2.gz KDMWNFDQYNAIDS-UHFFFAOYSA-N 2 1 232.371 2.161 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC(C)(C)C2)C1 ZINC000309538850 383886453 /nfs/dbraw/zinc/88/64/53/383886453.db2.gz GAYVMJVQIPZADZ-LBPRGKRZSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccco1 ZINC000037649095 383990314 /nfs/dbraw/zinc/99/03/14/383990314.db2.gz QIYNEAXCBTWPQI-RYUDHWBXSA-N 2 1 234.343 2.415 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]1C ZINC000309130665 384024985 /nfs/dbraw/zinc/02/49/85/384024985.db2.gz XUKGIPBJGZGTAK-JHJVBQTASA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]1C ZINC000309130665 384024990 /nfs/dbraw/zinc/02/49/90/384024990.db2.gz XUKGIPBJGZGTAK-JHJVBQTASA-N 2 1 212.381 2.493 20 0 BEADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccoc1 ZINC000643545039 384008608 /nfs/dbraw/zinc/00/86/08/384008608.db2.gz YAJFQJZRYKXMTH-JTQLQIEISA-N 2 1 208.305 2.072 20 0 BEADMP c1cnc2c(c1)CCC[C@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000643545122 384008694 /nfs/dbraw/zinc/00/86/94/384008694.db2.gz WGIWESUAXVHEJE-CQSZACIVSA-N 2 1 245.370 2.191 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000069627037 384052166 /nfs/dbraw/zinc/05/21/66/384052166.db2.gz ACIPRISQWRHXBB-JQWIXIFHSA-N 2 1 224.373 2.307 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CC)CC2)[C@@H](C)C1 ZINC000090219462 384034454 /nfs/dbraw/zinc/03/44/54/384034454.db2.gz GAIUJVUPQZQEKY-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564973522 384053175 /nfs/dbraw/zinc/05/31/75/384053175.db2.gz NRQKIIISPOKHPD-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP Cn1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000091008636 384091955 /nfs/dbraw/zinc/09/19/55/384091955.db2.gz AQHLHQGLGNWDEL-UHFFFAOYSA-N 2 1 249.402 2.378 20 0 BEADMP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)OC ZINC000449379258 384078314 /nfs/dbraw/zinc/07/83/14/384078314.db2.gz SIXIEUORTKRGRO-BFHYXJOUSA-N 2 1 242.407 2.121 20 0 BEADMP CC1(C)CC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000309406514 384105488 /nfs/dbraw/zinc/10/54/88/384105488.db2.gz HZMVGRIPZRRDDX-CHWSQXEVSA-N 2 1 222.376 2.391 20 0 BEADMP CC1(C)CC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000309406514 384105492 /nfs/dbraw/zinc/10/54/92/384105492.db2.gz HZMVGRIPZRRDDX-CHWSQXEVSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CCC[NH+]2CCC2)C[C@@H](C)C1 ZINC000569502114 384136321 /nfs/dbraw/zinc/13/63/21/384136321.db2.gz ISWBNEYJLNZIOK-WDNDVIMCSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2CCCC(F)(F)C2)CC1 ZINC000335917847 384125887 /nfs/dbraw/zinc/12/58/87/384125887.db2.gz MEMIFXDZCFHRCH-LLVKDONJSA-N 2 1 232.318 2.248 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000224085374 384126339 /nfs/dbraw/zinc/12/63/39/384126339.db2.gz SFSULZYIBGSAOM-JOYOIKCWSA-N 2 1 224.373 2.226 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000163207820 384164889 /nfs/dbraw/zinc/16/48/89/384164889.db2.gz QYEKOMXKVMAXSJ-GXSJLCMTSA-N 2 1 240.297 2.134 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000090720174 384164909 /nfs/dbraw/zinc/16/49/09/384164909.db2.gz IFFCQVFKPHZLTR-RISCZKNCSA-N 2 1 236.334 2.398 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)CC[N@H+]1C ZINC000090720174 384164914 /nfs/dbraw/zinc/16/49/14/384164914.db2.gz IFFCQVFKPHZLTR-RISCZKNCSA-N 2 1 236.334 2.398 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000163207820 384164895 /nfs/dbraw/zinc/16/48/95/384164895.db2.gz QYEKOMXKVMAXSJ-GXSJLCMTSA-N 2 1 240.297 2.134 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCOC(C)C)C1 ZINC000173886911 384276986 /nfs/dbraw/zinc/27/69/86/384276986.db2.gz MQJTXNBPBQAHRN-CQSZACIVSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCOC(C)C)C1 ZINC000173886911 384276992 /nfs/dbraw/zinc/27/69/92/384276992.db2.gz MQJTXNBPBQAHRN-CQSZACIVSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCOC(C)C)C1 ZINC000173886911 384276995 /nfs/dbraw/zinc/27/69/95/384276995.db2.gz MQJTXNBPBQAHRN-CQSZACIVSA-N 2 1 242.407 2.075 20 0 BEADMP COc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000113712532 384261586 /nfs/dbraw/zinc/26/15/86/384261586.db2.gz WLHZGLSKYAPCPF-AWEZNQCLSA-N 2 1 248.370 2.269 20 0 BEADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccn(C)c2)C1 ZINC000093693161 384262340 /nfs/dbraw/zinc/26/23/40/384262340.db2.gz RIQSAGWPTCFPNE-HNNXBMFYSA-N 2 1 249.402 2.189 20 0 BEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccn(C)c2)C1 ZINC000093693161 384262346 /nfs/dbraw/zinc/26/23/46/384262346.db2.gz RIQSAGWPTCFPNE-HNNXBMFYSA-N 2 1 249.402 2.189 20 0 BEADMP C[C@H]([NH2+]CC[NH3+])c1cc2c(s1)CCCC2 ZINC000133621121 384262737 /nfs/dbraw/zinc/26/27/37/384262737.db2.gz HGWHVFQAKYJNMJ-VIFPVBQESA-N 2 1 224.373 2.236 20 0 BEADMP CSCCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000173791919 384263448 /nfs/dbraw/zinc/26/34/48/384263448.db2.gz RADJUNDYURUOLT-GFCCVEGCSA-N 2 1 230.421 2.013 20 0 BEADMP CSCCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000173791919 384263452 /nfs/dbraw/zinc/26/34/52/384263452.db2.gz RADJUNDYURUOLT-GFCCVEGCSA-N 2 1 230.421 2.013 20 0 BEADMP CSCCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000173791919 384263459 /nfs/dbraw/zinc/26/34/59/384263459.db2.gz RADJUNDYURUOLT-GFCCVEGCSA-N 2 1 230.421 2.013 20 0 BEADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)CC(F)F ZINC000647319771 384266131 /nfs/dbraw/zinc/26/61/31/384266131.db2.gz LHXUMNXMMNECDM-SNVBAGLBSA-N 2 1 246.345 2.494 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCOC(C)C)C1 ZINC000173886895 384276634 /nfs/dbraw/zinc/27/66/34/384276634.db2.gz MQJTXNBPBQAHRN-AWEZNQCLSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCOC(C)C)C1 ZINC000173886895 384276639 /nfs/dbraw/zinc/27/66/39/384276639.db2.gz MQJTXNBPBQAHRN-AWEZNQCLSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCOC(C)C)C1 ZINC000173886895 384276644 /nfs/dbraw/zinc/27/66/44/384276644.db2.gz MQJTXNBPBQAHRN-AWEZNQCLSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCSC)C1 ZINC000174228843 384315096 /nfs/dbraw/zinc/31/50/96/384315096.db2.gz BNRPRVBOEDBOJA-LBPRGKRZSA-N 2 1 230.421 2.013 20 0 BEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(O)c1 ZINC000282446641 384280764 /nfs/dbraw/zinc/28/07/64/384280764.db2.gz UWJSBOCAJWIPBM-NSHDSACASA-N 2 1 245.326 2.019 20 0 BEADMP CCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000174513593 384336712 /nfs/dbraw/zinc/33/67/12/384336712.db2.gz DLEFOXAYHPBHOM-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP Cc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cn1 ZINC000228858747 384346745 /nfs/dbraw/zinc/34/67/45/384346745.db2.gz LJKGLCAWWSIXQD-AWEZNQCLSA-N 2 1 233.359 2.093 20 0 BEADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cn1 ZINC000228858736 384347110 /nfs/dbraw/zinc/34/71/10/384347110.db2.gz LJKGLCAWWSIXQD-CQSZACIVSA-N 2 1 233.359 2.093 20 0 BEADMP Cc1csc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000335590659 384354565 /nfs/dbraw/zinc/35/45/65/384354565.db2.gz HKNBTPJABZZVMN-AAEUAGOBSA-N 2 1 238.400 2.486 20 0 BEADMP Cc1csc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000335590659 384354570 /nfs/dbraw/zinc/35/45/70/384354570.db2.gz HKNBTPJABZZVMN-AAEUAGOBSA-N 2 1 238.400 2.486 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(C)CC1 ZINC000300359087 384357961 /nfs/dbraw/zinc/35/79/61/384357961.db2.gz MNCPLLRIZULHKZ-IJLUTSLNSA-N 2 1 210.365 2.105 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCSC)[C@H](C)C1 ZINC000174780954 384363244 /nfs/dbraw/zinc/36/32/44/384363244.db2.gz JOGBDUCKUMMYFF-CHWSQXEVSA-N 2 1 244.448 2.402 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCSC)[C@H](C)C1 ZINC000174780954 384363247 /nfs/dbraw/zinc/36/32/47/384363247.db2.gz JOGBDUCKUMMYFF-CHWSQXEVSA-N 2 1 244.448 2.402 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCSC)[C@H](C)C1 ZINC000174780954 384363252 /nfs/dbraw/zinc/36/32/52/384363252.db2.gz JOGBDUCKUMMYFF-CHWSQXEVSA-N 2 1 244.448 2.402 20 0 BEADMP Cc1cc(C[NH2+][C@@H](C[NH3+])C2CC2)c(C)s1 ZINC000560961490 384426795 /nfs/dbraw/zinc/42/67/95/384426795.db2.gz WFQGFLHZLGNWAP-LBPRGKRZSA-N 2 1 224.373 2.192 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCC2)C1 ZINC000521370546 384429790 /nfs/dbraw/zinc/42/97/90/384429790.db2.gz WPRQPYCCORTFBH-OLZOCXBDSA-N 2 1 210.365 2.251 20 0 BEADMP C[NH+](C)C1(C[NH2+]CC2CC2)CCCCC1 ZINC000036882415 384462633 /nfs/dbraw/zinc/46/26/33/384462633.db2.gz SXGYIVFXAPGMHY-UHFFFAOYSA-N 2 1 210.365 2.251 20 0 BEADMP CC(C)CCN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000306019618 384474779 /nfs/dbraw/zinc/47/47/79/384474779.db2.gz LPKUXBIDYYCYJH-LSDHHAIUSA-N 2 1 232.371 2.459 20 0 BEADMP CC(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000306019618 384474782 /nfs/dbraw/zinc/47/47/82/384474782.db2.gz LPKUXBIDYYCYJH-LSDHHAIUSA-N 2 1 232.371 2.459 20 0 BEADMP CC(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000306019618 384474784 /nfs/dbraw/zinc/47/47/84/384474784.db2.gz LPKUXBIDYYCYJH-LSDHHAIUSA-N 2 1 232.371 2.459 20 0 BEADMP Cc1cccc(C)c1C[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000159763769 384496983 /nfs/dbraw/zinc/49/69/83/384496983.db2.gz VPTICNVNYSXHKU-OAHLLOKOSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1cccc(C)c1C[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000159763769 384496990 /nfs/dbraw/zinc/49/69/90/384496990.db2.gz VPTICNVNYSXHKU-OAHLLOKOSA-N 2 1 232.371 2.473 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@@H]1C[C@H]1C ZINC000309208421 384490125 /nfs/dbraw/zinc/49/01/25/384490125.db2.gz SLBRKXCRXAUKTR-AGIUHOORSA-N 2 1 212.381 2.352 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@@H]1C[C@H]1C ZINC000309208421 384490129 /nfs/dbraw/zinc/49/01/29/384490129.db2.gz SLBRKXCRXAUKTR-AGIUHOORSA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150803612 384514409 /nfs/dbraw/zinc/51/44/09/384514409.db2.gz SRAGEKSIUILWMI-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@@H]1C[C@H](C[N@@H+](C)C2CC(C)(C)C2)CC[NH2+]1 ZINC000334623380 384527617 /nfs/dbraw/zinc/52/76/17/384527617.db2.gz UHPKNIHBNHWLAC-VXGBXAGGSA-N 2 1 224.392 2.495 20 0 BEADMP FC1(F)CC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000309484231 384544083 /nfs/dbraw/zinc/54/40/83/384544083.db2.gz FRNJNHCAKCDLGK-KOLCDFICSA-N 2 1 230.302 2.001 20 0 BEADMP FC1(F)CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000258237491 384551915 /nfs/dbraw/zinc/55/19/15/384551915.db2.gz ALKKTQCKCKBOQR-UHFFFAOYSA-N 2 1 232.318 2.107 20 0 BEADMP C[NH2+]C1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000643053479 384552767 /nfs/dbraw/zinc/55/27/67/384552767.db2.gz NTYOQZJAQNJHJD-UHFFFAOYSA-N 2 1 247.367 2.485 20 0 BEADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)CCC(F)(F)F ZINC000643057514 384562149 /nfs/dbraw/zinc/56/21/49/384562149.db2.gz LREKDWNPPDKDJB-JTQLQIEISA-N 2 1 238.297 2.260 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000306049649 384567924 /nfs/dbraw/zinc/56/79/24/384567924.db2.gz VVGLVEWRQQBXLB-VXGBXAGGSA-N 2 1 246.345 2.353 20 0 BEADMP CC(C)CCC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000162088428 384568227 /nfs/dbraw/zinc/56/82/27/384568227.db2.gz DGNRVRFYFQIZNY-CYBMUJFWSA-N 2 1 224.392 2.497 20 0 BEADMP C(C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)C1CCCC1 ZINC000643065553 384576377 /nfs/dbraw/zinc/57/63/77/384576377.db2.gz CQCKIACQCNNWOI-KBPBESRZSA-N 2 1 222.376 2.251 20 0 BEADMP C(C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)C1CCCC1 ZINC000643065553 384576387 /nfs/dbraw/zinc/57/63/87/384576387.db2.gz CQCKIACQCNNWOI-KBPBESRZSA-N 2 1 222.376 2.251 20 0 BEADMP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643066246 384578594 /nfs/dbraw/zinc/57/85/94/384578594.db2.gz LYSLUNJTMLCBDK-IHRRRGAJSA-N 2 1 224.392 2.352 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643066246 384578601 /nfs/dbraw/zinc/57/86/01/384578601.db2.gz LYSLUNJTMLCBDK-IHRRRGAJSA-N 2 1 224.392 2.352 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000355107507 384581705 /nfs/dbraw/zinc/58/17/05/384581705.db2.gz NSPOKMZBCCOVFJ-RWMBFGLXSA-N 2 1 210.365 2.234 20 0 BEADMP Cc1nc2ccc(C[N@@H+](C)CCC[NH3+])cc2s1 ZINC000517935720 384583581 /nfs/dbraw/zinc/58/35/81/384583581.db2.gz BRICHHFZRSIEET-UHFFFAOYSA-N 2 1 249.383 2.385 20 0 BEADMP CC[C@@H]([NH2+]CCc1cccc(C)n1)[C@@H]1CCC[NH2+]1 ZINC000423085174 384564910 /nfs/dbraw/zinc/56/49/10/384564910.db2.gz JWRWWNKWWHMFPW-CABCVRRESA-N 2 1 247.386 2.053 20 0 BEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCF)C1 ZINC000151336840 384565374 /nfs/dbraw/zinc/56/53/74/384565374.db2.gz FNGTVSHNVPXKQD-LBPRGKRZSA-N 2 1 216.344 2.010 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCF)C1 ZINC000151336840 384565381 /nfs/dbraw/zinc/56/53/81/384565381.db2.gz FNGTVSHNVPXKQD-LBPRGKRZSA-N 2 1 216.344 2.010 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCF)C1 ZINC000151336840 384565387 /nfs/dbraw/zinc/56/53/87/384565387.db2.gz FNGTVSHNVPXKQD-LBPRGKRZSA-N 2 1 216.344 2.010 20 0 BEADMP CSCCC[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000300855847 384611154 /nfs/dbraw/zinc/61/11/54/384611154.db2.gz OKYQYOAACCPFOJ-VXGBXAGGSA-N 2 1 230.421 2.059 20 0 BEADMP C[C@H](CC[NH2+]Cc1cccn1C)[NH+]1CCCCC1 ZINC000184336290 384594478 /nfs/dbraw/zinc/59/44/78/384594478.db2.gz UDMYOMSANZALMP-CQSZACIVSA-N 2 1 249.402 2.379 20 0 BEADMP c1ccc([C@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000050599368 384634699 /nfs/dbraw/zinc/63/46/99/384634699.db2.gz RJABRYAOJWHDDJ-INIZCTEOSA-N 2 1 244.382 2.476 20 0 BEADMP C[N@@H+](CCC[NH3+])CCc1ccc(Cl)cc1 ZINC000049820587 384641201 /nfs/dbraw/zinc/64/12/01/384641201.db2.gz CPFCVWATEVLUAF-UHFFFAOYSA-N 2 1 226.751 2.163 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647534853 384645812 /nfs/dbraw/zinc/64/58/12/384645812.db2.gz YAAYCYPJVHIZHV-BARDWOONSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cncc(F)c1 ZINC000271883889 384652955 /nfs/dbraw/zinc/65/29/55/384652955.db2.gz QDUNSTBJQADAAP-NSHDSACASA-N 2 1 249.333 2.133 20 0 BEADMP CC(C)CCOCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000104421451 384684177 /nfs/dbraw/zinc/68/41/77/384684177.db2.gz JTGRIYCOJRXFSV-ZIAGYGMSSA-N 2 1 242.407 2.108 20 0 BEADMP FC1(F)CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000258899529 384688874 /nfs/dbraw/zinc/68/88/74/384688874.db2.gz OEIYWBBQTQFPKW-NSHDSACASA-N 2 1 232.318 2.107 20 0 BEADMP C[C@H](CC[NH+](C)C)Nc1cc[nH+]cc1Cl ZINC000086831270 384696473 /nfs/dbraw/zinc/69/64/73/384696473.db2.gz RTVXVXVBSBYKFG-SECBINFHSA-N 2 1 227.739 2.487 20 0 BEADMP CC(C)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543249 384712596 /nfs/dbraw/zinc/71/25/96/384712596.db2.gz KAALCUQFAKAUCO-KBPBESRZSA-N 2 1 224.392 2.354 20 0 BEADMP FC1(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647543746 384712615 /nfs/dbraw/zinc/71/26/15/384712615.db2.gz RPJHQPHJYKERLV-OLZOCXBDSA-N 2 1 240.366 2.200 20 0 BEADMP CC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000125895387 384718336 /nfs/dbraw/zinc/71/83/36/384718336.db2.gz ZCIVWZNNYHPMRO-OLZOCXBDSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1CC[N@H+](CC[NH2+]CCC(C)(C)C)C1 ZINC000053389637 384718212 /nfs/dbraw/zinc/71/82/12/384718212.db2.gz YTGXXGDDMJOKTL-GFCCVEGCSA-N 2 1 212.381 2.354 20 0 BEADMP C[C@@H]1CC[N@@H+](CC[NH2+]CCC(C)(C)C)C1 ZINC000053389637 384718221 /nfs/dbraw/zinc/71/82/21/384718221.db2.gz YTGXXGDDMJOKTL-GFCCVEGCSA-N 2 1 212.381 2.354 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCCCC2)C1 ZINC000044535573 384776388 /nfs/dbraw/zinc/77/63/88/384776388.db2.gz JTHOFPLIKVTEIP-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP Cc1cccc(N2CCC([NH2+]C(C)C)CC2)[nH+]1 ZINC000125575899 384731407 /nfs/dbraw/zinc/73/14/07/384731407.db2.gz KFIHIOTXMZEBAJ-UHFFFAOYSA-N 2 1 233.359 2.357 20 0 BEADMP Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000053035667 384759771 /nfs/dbraw/zinc/75/97/71/384759771.db2.gz STGOLWCVSSSBLK-YHWZYXNKSA-N 2 1 234.343 2.303 20 0 BEADMP C[C@H]1C[NH2+]C[C@H]([NH2+]CC2CCC(F)CC2)C1 ZINC000647553295 384769611 /nfs/dbraw/zinc/76/96/11/384769611.db2.gz QFZQPSFRGKIELP-IKWCTNDRSA-N 2 1 228.355 2.102 20 0 BEADMP CCCC[C@@H](COC)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000163276552 384783005 /nfs/dbraw/zinc/78/30/05/384783005.db2.gz TVZCUCTWOKOXMN-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@H]([NH2+]C1Cc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000335041594 384784193 /nfs/dbraw/zinc/78/41/93/384784193.db2.gz QFEJIHPPSLMWSD-LRDDRELGSA-N 2 1 244.382 2.274 20 0 BEADMP CCC[N@H+](CC)CC[NH2+]C(C1CC1)C1CC1 ZINC000053376643 384784922 /nfs/dbraw/zinc/78/49/22/384784922.db2.gz CLIYAKFZJKOCEX-UHFFFAOYSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+]C(C1CC1)C1CC1 ZINC000053376643 384784929 /nfs/dbraw/zinc/78/49/29/384784929.db2.gz CLIYAKFZJKOCEX-UHFFFAOYSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000423277107 384788027 /nfs/dbraw/zinc/78/80/27/384788027.db2.gz PESBIOMICRXYPN-KBPBESRZSA-N 2 1 236.334 2.386 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000309246943 384789244 /nfs/dbraw/zinc/78/92/44/384789244.db2.gz CMSLCOBUKKRLMP-MJBXVCDLSA-N 2 1 224.392 2.352 20 0 BEADMP NCC[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000083838110 384799719 /nfs/dbraw/zinc/79/97/19/384799719.db2.gz UERRDGBDZJPPAN-UHFFFAOYSA-N 2 1 218.344 2.247 20 0 BEADMP [NH3+]CC[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000083838110 384799733 /nfs/dbraw/zinc/79/97/33/384799733.db2.gz UERRDGBDZJPPAN-UHFFFAOYSA-N 2 1 218.344 2.247 20 0 BEADMP [NH3+]CC[N@H+](Cc1ccccc1)CC1CCC1 ZINC000083838110 384799740 /nfs/dbraw/zinc/79/97/40/384799740.db2.gz UERRDGBDZJPPAN-UHFFFAOYSA-N 2 1 218.344 2.247 20 0 BEADMP CC[N@H+](CCC[NH2+]C)Cc1cccs1 ZINC000042488135 384808400 /nfs/dbraw/zinc/80/84/00/384808400.db2.gz USSXUMNJIQBLJK-UHFFFAOYSA-N 2 1 212.362 2.180 20 0 BEADMP CC[N@@H+](CCC[NH2+]C)Cc1cccs1 ZINC000042488135 384808403 /nfs/dbraw/zinc/80/84/03/384808403.db2.gz USSXUMNJIQBLJK-UHFFFAOYSA-N 2 1 212.362 2.180 20 0 BEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC1CC1 ZINC000308631712 384881538 /nfs/dbraw/zinc/88/15/38/384881538.db2.gz CHLYNVXUYISURX-UHFFFAOYSA-N 2 1 210.365 2.251 20 0 BEADMP c1ccc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC000084225114 384850708 /nfs/dbraw/zinc/85/07/08/384850708.db2.gz HMEQPPDSBRYYKW-LSDHHAIUSA-N 2 1 230.355 2.118 20 0 BEADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000336673288 384860129 /nfs/dbraw/zinc/86/01/29/384860129.db2.gz AKEPWHNPDBBDFQ-RFGFWPKPSA-N 2 1 224.392 2.352 20 0 BEADMP COc1ccc(CC[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000049707593 384898124 /nfs/dbraw/zinc/89/81/24/384898124.db2.gz XRWCGEOGVYZXEM-GXTWGEPZSA-N 2 1 248.370 2.049 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)C1(C)CC1 ZINC000127639064 384908552 /nfs/dbraw/zinc/90/85/52/384908552.db2.gz ZSASOVXGKXGCHO-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP CCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127651105 384912590 /nfs/dbraw/zinc/91/25/90/384912590.db2.gz RQWSTZLWMOGRNF-QWHCGFSZSA-N 2 1 210.365 2.393 20 0 BEADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000251962161 384918490 /nfs/dbraw/zinc/91/84/90/384918490.db2.gz VTVODVMDYDBBOP-RWMBFGLXSA-N 2 1 212.381 2.352 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2CCC[NH2+]C2)c(C)c1 ZINC000259029716 384959655 /nfs/dbraw/zinc/95/96/55/384959655.db2.gz OSZLJSSGDKITPX-HNNXBMFYSA-N 2 1 232.371 2.188 20 0 BEADMP CC(C)[C@@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000257770882 384929415 /nfs/dbraw/zinc/92/94/15/384929415.db2.gz IFTVDTFCCSQSJX-KGLIPLIRSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccoc1 ZINC000087290077 384935821 /nfs/dbraw/zinc/93/58/21/384935821.db2.gz GIVRKPQGKQCSNU-VXGBXAGGSA-N 2 1 222.332 2.272 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccoc1 ZINC000087290077 384935838 /nfs/dbraw/zinc/93/58/38/384935838.db2.gz GIVRKPQGKQCSNU-VXGBXAGGSA-N 2 1 222.332 2.272 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccoc1 ZINC000087290077 384935845 /nfs/dbraw/zinc/93/58/45/384935845.db2.gz GIVRKPQGKQCSNU-VXGBXAGGSA-N 2 1 222.332 2.272 20 0 BEADMP CSc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000258900912 384944563 /nfs/dbraw/zinc/94/45/63/384944563.db2.gz HRLDCKJGXCJPTA-QWHCGFSZSA-N 2 1 236.384 2.378 20 0 BEADMP Cc1cncc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000404315867 384967985 /nfs/dbraw/zinc/96/79/85/384967985.db2.gz ZZDRSZXLILVDGA-ZFWWWQNUSA-N 2 1 247.386 2.339 20 0 BEADMP C[C@H](C[NH2+]Cc1cccc(O)c1)C[NH+]1CCCC1 ZINC000057994005 384977022 /nfs/dbraw/zinc/97/70/22/384977022.db2.gz YRRWUDBYIPLXFG-CYBMUJFWSA-N 2 1 248.370 2.214 20 0 BEADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000107954020 385013372 /nfs/dbraw/zinc/01/33/72/385013372.db2.gz LMXRJYXRGGDZGW-TZMCWYRMSA-N 2 1 248.370 2.254 20 0 BEADMP [NH3+][C@@H]1C[C@@H]([NH2+]CC2=CCCOC2)c2ccccc21 ZINC000336230849 385016843 /nfs/dbraw/zinc/01/68/43/385016843.db2.gz QFNAVPFFDJFVAS-HUUCEWRRSA-N 2 1 244.338 2.068 20 0 BEADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000340464314 385064488 /nfs/dbraw/zinc/06/44/88/385064488.db2.gz SPVKTRBFSQTGLH-UMSGYPCISA-N 2 1 228.355 2.197 20 0 BEADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000340464316 385065387 /nfs/dbraw/zinc/06/53/87/385065387.db2.gz SPVKTRBFSQTGLH-WUHRBBMRSA-N 2 1 228.355 2.197 20 0 BEADMP Cc1c[nH+]ccc1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226880664 385065559 /nfs/dbraw/zinc/06/55/59/385065559.db2.gz IVPOFJXYCKRAHG-RYUDHWBXSA-N 2 1 219.332 2.285 20 0 BEADMP Cc1cccc(NCc2cccnc2N(C)C)[nH+]1 ZINC000157068948 385067428 /nfs/dbraw/zinc/06/74/28/385067428.db2.gz ARRCFJYAFMLQTQ-UHFFFAOYSA-N 2 1 242.326 2.463 20 0 BEADMP Cc1ccc(CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000334141479 385028614 /nfs/dbraw/zinc/02/86/14/385028614.db2.gz HMNOKLIRGOARLQ-HOTGVXAUSA-N 2 1 244.382 2.079 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)CC1 ZINC000647248138 385191457 /nfs/dbraw/zinc/19/14/57/385191457.db2.gz AGTNVCMMNVWKGI-BETUJISGSA-N 2 1 240.391 2.016 20 0 BEADMP C[NH+](C)CCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000151941190 385143150 /nfs/dbraw/zinc/14/31/50/385143150.db2.gz GZVORDZBWYKYQX-AWEZNQCLSA-N 2 1 248.370 2.442 20 0 BEADMP CC(C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157359391 385151374 /nfs/dbraw/zinc/15/13/74/385151374.db2.gz YLZGDSMJXRPIBA-CYBMUJFWSA-N 2 1 210.365 2.345 20 0 BEADMP CC1(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000647479732 385157042 /nfs/dbraw/zinc/15/70/42/385157042.db2.gz RLARNLZFIJOVHU-CHWSQXEVSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CS1 ZINC000157366237 385159437 /nfs/dbraw/zinc/15/94/37/385159437.db2.gz WTPMYMMZSMBWGU-FVCCEPFGSA-N 2 1 240.416 2.097 20 0 BEADMP CC/C=C\CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000644784175 385170826 /nfs/dbraw/zinc/17/08/26/385170826.db2.gz GTXSFJOHKOJEKF-ZRUQZJFASA-N 2 1 222.376 2.370 20 0 BEADMP CC/C=C\CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000644784175 385170829 /nfs/dbraw/zinc/17/08/29/385170829.db2.gz GTXSFJOHKOJEKF-ZRUQZJFASA-N 2 1 222.376 2.370 20 0 BEADMP CC/C=C\CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000644784175 385170836 /nfs/dbraw/zinc/17/08/36/385170836.db2.gz GTXSFJOHKOJEKF-ZRUQZJFASA-N 2 1 222.376 2.370 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCc2cccs2)CC[N@H+]1C ZINC000129658639 385173794 /nfs/dbraw/zinc/17/37/94/385173794.db2.gz YHDATGJFMAUXTB-VXGBXAGGSA-N 2 1 238.400 2.363 20 0 BEADMP CC(C)C[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000308847267 385206353 /nfs/dbraw/zinc/20/63/53/385206353.db2.gz MSLXNILSRRBTSF-LBPRGKRZSA-N 2 1 210.365 2.273 20 0 BEADMP Cc1ccncc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482434 385209030 /nfs/dbraw/zinc/20/90/30/385209030.db2.gz FKCCGYQYEDRGCZ-UHFFFAOYSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1ccncc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482434 385209042 /nfs/dbraw/zinc/20/90/42/385209042.db2.gz FKCCGYQYEDRGCZ-UHFFFAOYSA-N 2 1 245.370 2.106 20 0 BEADMP Oc1cccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647482905 385209352 /nfs/dbraw/zinc/20/93/52/385209352.db2.gz IHZFJFOUDZWFHE-UHFFFAOYSA-N 2 1 246.354 2.109 20 0 BEADMP Oc1cccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647482905 385209361 /nfs/dbraw/zinc/20/93/61/385209361.db2.gz IHZFJFOUDZWFHE-UHFFFAOYSA-N 2 1 246.354 2.109 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000300988784 385222127 /nfs/dbraw/zinc/22/21/27/385222127.db2.gz VEXJHFDRUGUPBX-RWMBFGLXSA-N 2 1 212.381 2.338 20 0 BEADMP CCSCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000300990037 385222814 /nfs/dbraw/zinc/22/28/14/385222814.db2.gz VSZFFQNMZRHCCS-JHJVBQTASA-N 2 1 244.448 2.448 20 0 BEADMP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000300997581 385224795 /nfs/dbraw/zinc/22/47/95/385224795.db2.gz WPDGOAMPRDNSPK-MJBXVCDLSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000300997581 385224804 /nfs/dbraw/zinc/22/48/04/385224804.db2.gz WPDGOAMPRDNSPK-MJBXVCDLSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCCC12CCCC2 ZINC000308882334 385236163 /nfs/dbraw/zinc/23/61/63/385236163.db2.gz DLGZFHSEOREELO-VXGBXAGGSA-N 2 1 210.365 2.426 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304562950 385239116 /nfs/dbraw/zinc/23/91/16/385239116.db2.gz LOBJZUAVAZXHEG-XJFOESAGSA-N 2 1 222.376 2.106 20 0 BEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC ZINC000191470244 385304042 /nfs/dbraw/zinc/30/40/42/385304042.db2.gz GNUOOUVMXFLMAI-UHFFFAOYSA-N 2 1 209.337 2.177 20 0 BEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC ZINC000191470244 385304046 /nfs/dbraw/zinc/30/40/46/385304046.db2.gz GNUOOUVMXFLMAI-UHFFFAOYSA-N 2 1 209.337 2.177 20 0 BEADMP CC(C)(C[N@H+]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000647490637 385281895 /nfs/dbraw/zinc/28/18/95/385281895.db2.gz FSMZCQTZCMQCDG-CYBMUJFWSA-N 2 1 232.371 2.245 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000647490745 385282699 /nfs/dbraw/zinc/28/26/99/385282699.db2.gz NDWBLKZIYZLIMO-GFCCVEGCSA-N 2 1 241.338 2.015 20 0 BEADMP CC(C)C[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000307808753 385288182 /nfs/dbraw/zinc/28/81/82/385288182.db2.gz MTJVPLFJLWRXMS-KGLIPLIRSA-N 2 1 224.392 2.354 20 0 BEADMP Cc1ccnc(NCC[N@@H+]2CC=CCC2)c1 ZINC000280303582 385293568 /nfs/dbraw/zinc/29/35/68/385293568.db2.gz RQTAZGWUZWRHGI-UHFFFAOYSA-N 2 1 217.316 2.064 20 0 BEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CCC1 ZINC000308996569 385338341 /nfs/dbraw/zinc/33/83/41/385338341.db2.gz MRPNRLOBOUUNFV-NSHDSACASA-N 2 1 208.349 2.027 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCSC)[C@H](C)C1 ZINC000178978713 385354945 /nfs/dbraw/zinc/35/49/45/385354945.db2.gz MGALPTRIMWGCIE-VXGBXAGGSA-N 2 1 230.421 2.012 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCSC)[C@H](C)C1 ZINC000178978713 385354951 /nfs/dbraw/zinc/35/49/51/385354951.db2.gz MGALPTRIMWGCIE-VXGBXAGGSA-N 2 1 230.421 2.012 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCSC)[C@H](C)C1 ZINC000178978713 385354956 /nfs/dbraw/zinc/35/49/56/385354956.db2.gz MGALPTRIMWGCIE-VXGBXAGGSA-N 2 1 230.421 2.012 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000228204690 385362235 /nfs/dbraw/zinc/36/22/35/385362235.db2.gz ZPZHCIHRZUVCFQ-JSGCOSHPSA-N 2 1 218.344 2.164 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCc2ccccc2O)CC[N@H+]1C ZINC000154919964 385364903 /nfs/dbraw/zinc/36/49/03/385364903.db2.gz IHAAYCHBXCUWIN-TZMCWYRMSA-N 2 1 248.370 2.007 20 0 BEADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC000179470071 385377355 /nfs/dbraw/zinc/37/73/55/385377355.db2.gz NUWWEYNZAVGDQA-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000228078923 385326610 /nfs/dbraw/zinc/32/66/10/385326610.db2.gz DJCRXGQGHNOFAK-ZIAGYGMSSA-N 2 1 232.371 2.473 20 0 BEADMP CC(C)OCCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000180456070 385391479 /nfs/dbraw/zinc/39/14/79/385391479.db2.gz WPXOVBAQPRWDRA-KBPBESRZSA-N 2 1 242.407 2.264 20 0 BEADMP CCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000181242747 385404607 /nfs/dbraw/zinc/40/46/07/385404607.db2.gz VQNWVSZGRLDZCM-NEPJUHHUSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000181263070 385404949 /nfs/dbraw/zinc/40/49/49/385404949.db2.gz DKPQENVAVJJFCJ-CHWSQXEVSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CC2(C3CC3)CC2)CC[N@H+]1C ZINC000181654291 385411050 /nfs/dbraw/zinc/41/10/50/385411050.db2.gz XFYIUYVTOMURKT-AAEUAGOBSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CC2(C3CC3)CC2)CC[N@H+]1C ZINC000181654258 385411830 /nfs/dbraw/zinc/41/18/30/385411830.db2.gz XFYIUYVTOMURKT-WCQYABFASA-N 2 1 222.376 2.249 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000309087272 385412313 /nfs/dbraw/zinc/41/23/13/385412313.db2.gz ZGLGRXZXFVQRRJ-NEPJUHHUSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000309087272 385412318 /nfs/dbraw/zinc/41/23/18/385412318.db2.gz ZGLGRXZXFVQRRJ-NEPJUHHUSA-N 2 1 212.381 2.493 20 0 BEADMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(C)c1 ZINC000194540311 385439453 /nfs/dbraw/zinc/43/94/53/385439453.db2.gz HSSPXZWLBKZUSC-IYBDPMFKSA-N 2 1 244.382 2.297 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)c1 ZINC000194540311 385439456 /nfs/dbraw/zinc/43/94/56/385439456.db2.gz HSSPXZWLBKZUSC-IYBDPMFKSA-N 2 1 244.382 2.297 20 0 BEADMP CCC(CC)[C@@H](C[NH2+]C(C)C)[NH+](C)C ZINC000020202126 385439739 /nfs/dbraw/zinc/43/97/39/385439739.db2.gz NJNXBNZVJPPQCL-GFCCVEGCSA-N 2 1 200.370 2.351 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CC1CC1 ZINC000309125145 385429925 /nfs/dbraw/zinc/42/99/25/385429925.db2.gz VZIRBCBKMYQWBS-VXGBXAGGSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CC1CC1 ZINC000309125145 385429927 /nfs/dbraw/zinc/42/99/27/385429927.db2.gz VZIRBCBKMYQWBS-VXGBXAGGSA-N 2 1 212.381 2.493 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC[N@H+](C)C2CCCC2)[C@@H]1C ZINC000309257494 385501372 /nfs/dbraw/zinc/50/13/72/385501372.db2.gz ARKMMSNHEBZPSY-BZPMIXESSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)[C@@H]1C ZINC000309257494 385501373 /nfs/dbraw/zinc/50/13/73/385501373.db2.gz ARKMMSNHEBZPSY-BZPMIXESSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]([NH3+])CNc1cc[nH+]c2ccsc21 ZINC000643036199 385534147 /nfs/dbraw/zinc/53/41/47/385534147.db2.gz SPRKFXCFZWRUHE-SSDOTTSWSA-N 2 1 207.302 2.055 20 0 BEADMP COC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000302510578 385535163 /nfs/dbraw/zinc/53/51/63/385535163.db2.gz VCUVECROUXEYJS-YNEHKIRRSA-N 2 1 240.391 2.016 20 0 BEADMP CC(C)CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106869002 385536618 /nfs/dbraw/zinc/53/66/18/385536618.db2.gz CFDIWLMPNAIRDQ-QWHCGFSZSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CCCC3)CC[N@@H+]1C ZINC000309358192 385549476 /nfs/dbraw/zinc/54/94/76/385549476.db2.gz ABFUAJGRVYTCLB-JHJVBQTASA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CCCC3)CC[N@H+]1C ZINC000309358192 385549480 /nfs/dbraw/zinc/54/94/80/385549480.db2.gz ABFUAJGRVYTCLB-JHJVBQTASA-N 2 1 222.376 2.391 20 0 BEADMP Cc1[nH]c2nc[nH+]c(N[C@H](C)CCC[NH3+])c2c1C ZINC000647708651 385594814 /nfs/dbraw/zinc/59/48/14/385594814.db2.gz UVAVKXBPMJHKBI-MRVPVSSYSA-N 2 1 247.346 2.114 20 0 BEADMP CCSCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397298433 385587144 /nfs/dbraw/zinc/58/71/44/385587144.db2.gz CLOHBHRCMMEOEC-WOPDTQHZSA-N 2 1 230.421 2.045 20 0 BEADMP CC(C)C1CC([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000335174029 385591907 /nfs/dbraw/zinc/59/19/07/385591907.db2.gz MUCMFTKQRGXWPY-YWPUVAFDSA-N 2 1 210.365 2.009 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000394837488 385617197 /nfs/dbraw/zinc/61/71/97/385617197.db2.gz RXGYFVCGPVGNJD-APIJFGDWSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000394837488 385617202 /nfs/dbraw/zinc/61/72/02/385617202.db2.gz RXGYFVCGPVGNJD-APIJFGDWSA-N 2 1 236.403 2.497 20 0 BEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnccc2C)C1 ZINC000269572490 385609348 /nfs/dbraw/zinc/60/93/48/385609348.db2.gz BLYANYYHMQHOAO-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnccc2C)C1 ZINC000269572490 385609352 /nfs/dbraw/zinc/60/93/52/385609352.db2.gz BLYANYYHMQHOAO-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnccc2C)C1 ZINC000269572490 385609354 /nfs/dbraw/zinc/60/93/54/385609354.db2.gz BLYANYYHMQHOAO-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnccc2C)C1 ZINC000269572490 385609357 /nfs/dbraw/zinc/60/93/57/385609357.db2.gz BLYANYYHMQHOAO-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP Cc1[nH]c2nc[nH+]c(N[C@H](C)C[C@@H](C)[NH3+])c2c1C ZINC000647711440 385613358 /nfs/dbraw/zinc/61/33/58/385613358.db2.gz SFVRAKSUCUEYKL-HTQZYQBOSA-N 2 1 247.346 2.112 20 0 BEADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C[C@@H]1C[C@@H]1C ZINC000309543197 385678752 /nfs/dbraw/zinc/67/87/52/385678752.db2.gz GGFNPRGMBSLKEU-RFGFWPKPSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C[C@@H]1C[C@@H]1C ZINC000309543197 385678756 /nfs/dbraw/zinc/67/87/56/385678756.db2.gz GGFNPRGMBSLKEU-RFGFWPKPSA-N 2 1 224.392 2.352 20 0 BEADMP CC(C)[C@H](C[NH2+]C[C@H]1C[C@H]1C)[NH+]1CCCC1 ZINC000336685306 385686138 /nfs/dbraw/zinc/68/61/38/385686138.db2.gz TYYHCCHHQMINLV-MCIONIFRSA-N 2 1 224.392 2.352 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCC(C)C)[C@@H](C)C1 ZINC000221703270 385687711 /nfs/dbraw/zinc/68/77/11/385687711.db2.gz GHFFQHKDQDJCJY-STQMWFEESA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(F)cc1 ZINC000414853441 385688387 /nfs/dbraw/zinc/68/83/87/385688387.db2.gz SNECFYFRXFTBLG-CYBMUJFWSA-N 2 1 224.323 2.289 20 0 BEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CC1CCOCC1 ZINC000414854169 385692343 /nfs/dbraw/zinc/69/23/43/385692343.db2.gz UODHHMAGSDLUBW-OCCSQVGLSA-N 2 1 242.407 2.155 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)CC1 ZINC000337499540 385692721 /nfs/dbraw/zinc/69/27/21/385692721.db2.gz ZWSMXLUAFGRHPV-RRFJBIMHSA-N 2 1 234.387 2.417 20 0 BEADMP CCc1cccc(F)c1C[NH2+]CCC[NH2+]C ZINC000414859808 385739059 /nfs/dbraw/zinc/73/90/59/385739059.db2.gz NXEMBLQIYHPLBN-UHFFFAOYSA-N 2 1 224.323 2.087 20 0 BEADMP COc1ccccc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414859282 385741019 /nfs/dbraw/zinc/74/10/19/385741019.db2.gz UBPWWDVNUGJPSS-CHWSQXEVSA-N 2 1 248.370 2.173 20 0 BEADMP [NH3+][C@@H]1CCC[N@H+](CCCOCc2ccccc2)C1 ZINC000336698006 385754856 /nfs/dbraw/zinc/75/48/56/385754856.db2.gz BUQYZXXJSSWLOW-OAHLLOKOSA-N 2 1 248.370 2.016 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+](CCCOCc2ccccc2)C1 ZINC000336698006 385754862 /nfs/dbraw/zinc/75/48/62/385754862.db2.gz BUQYZXXJSSWLOW-OAHLLOKOSA-N 2 1 248.370 2.016 20 0 BEADMP C[NH2+]CCC[NH2+]Cc1ccccc1OCC1CC1 ZINC000414863987 385763474 /nfs/dbraw/zinc/76/34/74/385763474.db2.gz YKRIOOLJGIDHFY-UHFFFAOYSA-N 2 1 248.370 2.175 20 0 BEADMP C[C@@H](CCc1ccsc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414864884 385766042 /nfs/dbraw/zinc/76/60/42/385766042.db2.gz KLFAPNLODZXGQK-WCQYABFASA-N 2 1 238.400 2.411 20 0 BEADMP c1ccc(OCCCCC[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414864235 385766062 /nfs/dbraw/zinc/76/60/62/385766062.db2.gz BPLZNEAZIJWHOV-AWEZNQCLSA-N 2 1 248.370 2.187 20 0 BEADMP C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414864157 385766197 /nfs/dbraw/zinc/76/61/97/385766197.db2.gz BJQXNSVUSOFYBK-BXUZGUMPSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414865316 385768138 /nfs/dbraw/zinc/76/81/38/385768138.db2.gz KPRAEVRKSKRUPO-NXEZZACHSA-N 2 1 238.297 2.449 20 0 BEADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccncc1 ZINC000271026451 385772921 /nfs/dbraw/zinc/77/29/21/385772921.db2.gz PFZVNPPSEDWDGQ-UHFFFAOYSA-N 2 1 247.386 2.389 20 0 BEADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccncc1 ZINC000271026451 385772925 /nfs/dbraw/zinc/77/29/25/385772925.db2.gz PFZVNPPSEDWDGQ-UHFFFAOYSA-N 2 1 247.386 2.389 20 0 BEADMP CC[N@@H+](CCC[NH2+]C)CCc1cccs1 ZINC000309662984 385774160 /nfs/dbraw/zinc/77/41/60/385774160.db2.gz YUWQJMYGIGJWCP-UHFFFAOYSA-N 2 1 226.389 2.222 20 0 BEADMP CC(C)[C@H](C[NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000414866526 385780743 /nfs/dbraw/zinc/78/07/43/385780743.db2.gz FITSDYZSLWXBIL-GJZGRUSLSA-N 2 1 232.371 2.378 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@H]1CCSC1 ZINC000336735776 385721517 /nfs/dbraw/zinc/72/15/17/385721517.db2.gz MAWKXCMBFYPEIA-QWHCGFSZSA-N 2 1 244.448 2.450 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@H]1CCSC1 ZINC000336735776 385721522 /nfs/dbraw/zinc/72/15/22/385721522.db2.gz MAWKXCMBFYPEIA-QWHCGFSZSA-N 2 1 244.448 2.450 20 0 BEADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccccn2)C1 ZINC000355902351 385798430 /nfs/dbraw/zinc/79/84/30/385798430.db2.gz DAUVNEYJCPVYDS-UONOGXRCSA-N 2 1 247.386 2.416 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccccn2)C1 ZINC000355902351 385798438 /nfs/dbraw/zinc/79/84/38/385798438.db2.gz DAUVNEYJCPVYDS-UONOGXRCSA-N 2 1 247.386 2.416 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000355902351 385798441 /nfs/dbraw/zinc/79/84/41/385798441.db2.gz DAUVNEYJCPVYDS-UONOGXRCSA-N 2 1 247.386 2.416 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC000355902351 385798443 /nfs/dbraw/zinc/79/84/43/385798443.db2.gz DAUVNEYJCPVYDS-UONOGXRCSA-N 2 1 247.386 2.416 20 0 BEADMP CCOc1ccccc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414947921 385805274 /nfs/dbraw/zinc/80/52/74/385805274.db2.gz LLUGOVBGOYHMQU-TZMCWYRMSA-N 2 1 248.370 2.315 20 0 BEADMP COc1ccc(C)cc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414954552 385829699 /nfs/dbraw/zinc/82/96/99/385829699.db2.gz SQVHGOHINBEJBX-OCCSQVGLSA-N 2 1 248.370 2.234 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1c[nH+]ccc1N ZINC000647804395 385840595 /nfs/dbraw/zinc/84/05/95/385840595.db2.gz PGVCVUYYOXHHGQ-YGOYTEALSA-N 2 1 237.372 2.039 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cnccc1C ZINC000271611457 385841572 /nfs/dbraw/zinc/84/15/72/385841572.db2.gz WZZSHAQRCXBADB-GFCCVEGCSA-N 2 1 244.342 2.246 20 0 BEADMP c1ccc(OCCCC[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000414869763 385843675 /nfs/dbraw/zinc/84/36/75/385843675.db2.gz RRFWJBMHCKCXON-AWEZNQCLSA-N 2 1 248.370 2.187 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000414945869 385792279 /nfs/dbraw/zinc/79/22/79/385792279.db2.gz RBMZDUIMUARVKE-TUAOUCFPSA-N 2 1 206.333 2.115 20 0 BEADMP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H](C)C[NH3+] ZINC000414946173 385795505 /nfs/dbraw/zinc/79/55/05/385795505.db2.gz RTIYJNCGCNCFOU-VIFPVBQESA-N 2 1 246.276 2.451 20 0 BEADMP C[N@@H+](Cc1cccs1)C[C@@H]1CCC[NH2+]C1 ZINC000021950286 385884915 /nfs/dbraw/zinc/88/49/15/385884915.db2.gz GPAHYXKPLJFYQN-LLVKDONJSA-N 2 1 224.373 2.180 20 0 BEADMP C[N@H+](Cc1cccs1)C[C@@H]1CCC[NH2+]C1 ZINC000021950286 385884920 /nfs/dbraw/zinc/88/49/20/385884920.db2.gz GPAHYXKPLJFYQN-LLVKDONJSA-N 2 1 224.373 2.180 20 0 BEADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cncc(F)c1 ZINC000335037458 385928735 /nfs/dbraw/zinc/92/87/35/385928735.db2.gz IIVFTBQFOBVMAN-GWCFXTLKSA-N 2 1 237.322 2.013 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cncc(F)c1 ZINC000335037460 385929452 /nfs/dbraw/zinc/92/94/52/385929452.db2.gz IIVFTBQFOBVMAN-MFKMUULPSA-N 2 1 237.322 2.013 20 0 BEADMP FC1(F)CC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000334492160 385909071 /nfs/dbraw/zinc/90/90/71/385909071.db2.gz FCEYWOREDMHCNS-VXGBXAGGSA-N 2 1 244.329 2.248 20 0 BEADMP C[C@]1(C[N@H+]2CCC[C@H]3CCC[C@H]32)CC[NH2+]C1 ZINC000250801013 385927143 /nfs/dbraw/zinc/92/71/43/385927143.db2.gz OQVPWCOLWYBJOC-MCIONIFRSA-N 2 1 222.376 2.251 20 0 BEADMP C1CC1[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414871783 385859935 /nfs/dbraw/zinc/85/99/35/385859935.db2.gz VOOKHAYETJCTOK-HZSPNIEDSA-N 2 1 222.376 2.297 20 0 BEADMP C[C@@H]1CCC[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414878037 385927789 /nfs/dbraw/zinc/92/77/89/385927789.db2.gz MZLGZHROSOYISR-UKRRQHHQSA-N 2 1 247.386 2.340 20 0 BEADMP CC(C)OCCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815100 385868203 /nfs/dbraw/zinc/86/82/03/385868203.db2.gz PBDNZNOTXZTCPC-UHFFFAOYSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]1CCC[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414878035 385928132 /nfs/dbraw/zinc/92/81/32/385928132.db2.gz MZLGZHROSOYISR-DZGCQCFKSA-N 2 1 247.386 2.340 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCC1(C)C)c1c[nH+]ccc1N ZINC000335018277 385975505 /nfs/dbraw/zinc/97/55/05/385975505.db2.gz RXSCVCHUSSOYSI-SKDRFNHKSA-N 2 1 219.332 2.333 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000338365492 385980555 /nfs/dbraw/zinc/98/05/55/385980555.db2.gz RRRZLWMSCZNAFB-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3c(O)cccc32)CCC1 ZINC000335022358 385982954 /nfs/dbraw/zinc/98/29/54/385982954.db2.gz GIYAPELNFHYGCJ-CYBMUJFWSA-N 2 1 246.354 2.241 20 0 BEADMP CC1(C)CC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000336748370 385986243 /nfs/dbraw/zinc/98/62/43/385986243.db2.gz SRMZXJSTFOXGOM-LLVKDONJSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@H]1CSCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000189041744 385932074 /nfs/dbraw/zinc/93/20/74/385932074.db2.gz IZOYSSHHNOAQHO-ZDUSSCGKSA-N 2 1 242.432 2.300 20 0 BEADMP C[C@H]1CSCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000189041744 385932079 /nfs/dbraw/zinc/93/20/79/385932079.db2.gz IZOYSSHHNOAQHO-ZDUSSCGKSA-N 2 1 242.432 2.300 20 0 BEADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000335040561 385932582 /nfs/dbraw/zinc/93/25/82/385932582.db2.gz RPZIPYQOJUHAIK-RYUDHWBXSA-N 2 1 224.373 2.498 20 0 BEADMP C[C@@H](CC1CC1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414878480 385940527 /nfs/dbraw/zinc/94/05/27/385940527.db2.gz NSPUAEYEWMHXDS-ZDUSSCGKSA-N 2 1 247.386 2.340 20 0 BEADMP COc1ccc(C)cc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414968805 385944134 /nfs/dbraw/zinc/94/41/34/385944134.db2.gz YMGCTIDQYKSADK-GXTWGEPZSA-N 2 1 248.370 2.091 20 0 BEADMP COc1ccc(C)cc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414968806 385945618 /nfs/dbraw/zinc/94/56/18/385945618.db2.gz YMGCTIDQYKSADK-JSGCOSHPSA-N 2 1 248.370 2.091 20 0 BEADMP CC[N@H+](CC[NH2+][C@H](C)[C@@H]1C[C@H]1C)C(C)C ZINC000414080088 385951019 /nfs/dbraw/zinc/95/10/19/385951019.db2.gz SRMMWHORSFWPKB-JHJVBQTASA-N 2 1 212.381 2.351 20 0 BEADMP CC[N@@H+](CC[NH2+][C@H](C)[C@@H]1C[C@H]1C)C(C)C ZINC000414080088 385951025 /nfs/dbraw/zinc/95/10/25/385951025.db2.gz SRMMWHORSFWPKB-JHJVBQTASA-N 2 1 212.381 2.351 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000338305348 385952011 /nfs/dbraw/zinc/95/20/11/385952011.db2.gz KIDHSIWIIFOLOH-BETUJISGSA-N 2 1 212.381 2.306 20 0 BEADMP Cc1c[nH+]ccc1N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000335056007 385955607 /nfs/dbraw/zinc/95/56/07/385955607.db2.gz SQPROYDOXRYESD-HNNXBMFYSA-N 2 1 245.370 2.312 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000335013704 385970936 /nfs/dbraw/zinc/97/09/36/385970936.db2.gz OCMALXNFXVIBKP-UKRRQHHQSA-N 2 1 245.370 2.014 20 0 BEADMP C[C@H](C[NH3+])C[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000414880528 385971451 /nfs/dbraw/zinc/97/14/51/385971451.db2.gz QXDFQNVNNJGJKW-SECBINFHSA-N 2 1 241.404 2.125 20 0 BEADMP CCCc1cccc(C[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000414881950 386009100 /nfs/dbraw/zinc/00/91/00/386009100.db2.gz BEXYMPTZLPDKRD-HNNXBMFYSA-N 2 1 232.371 2.466 20 0 BEADMP Cc1cc(C[NH2+]CC2([NH3+])CCC2)ccc1F ZINC000414882980 386022573 /nfs/dbraw/zinc/02/25/73/386022573.db2.gz MMJUJVWSHSSPKH-UHFFFAOYSA-N 2 1 222.307 2.105 20 0 BEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@H]1C[C@H]1C ZINC000414191450 386029878 /nfs/dbraw/zinc/02/98/78/386029878.db2.gz RYPGHNVLTJJKGS-RQJABVFESA-N 2 1 224.392 2.352 20 0 BEADMP COCCC[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414201711 386037687 /nfs/dbraw/zinc/03/76/87/386037687.db2.gz YIGAOKKZAOLQSX-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc2ncccc2c1 ZINC000414977665 386037847 /nfs/dbraw/zinc/03/78/47/386037847.db2.gz KIEPKPHQJSCWHZ-ZDUSSCGKSA-N 2 1 229.327 2.062 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc2ncccc2c1 ZINC000414977664 386037998 /nfs/dbraw/zinc/03/79/98/386037998.db2.gz KIEPKPHQJSCWHZ-CYBMUJFWSA-N 2 1 229.327 2.062 20 0 BEADMP Cc1sccc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000295476780 386040437 /nfs/dbraw/zinc/04/04/37/386040437.db2.gz WXYGNXCOEWHFGO-LBPRGKRZSA-N 2 1 238.400 2.440 20 0 BEADMP Cc1sccc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000295476780 386040442 /nfs/dbraw/zinc/04/04/42/386040442.db2.gz WXYGNXCOEWHFGO-LBPRGKRZSA-N 2 1 238.400 2.440 20 0 BEADMP Cc1sccc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000295476775 386040787 /nfs/dbraw/zinc/04/07/87/386040787.db2.gz WXYGNXCOEWHFGO-GFCCVEGCSA-N 2 1 238.400 2.440 20 0 BEADMP Cc1sccc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000295476775 386040797 /nfs/dbraw/zinc/04/07/97/386040797.db2.gz WXYGNXCOEWHFGO-GFCCVEGCSA-N 2 1 238.400 2.440 20 0 BEADMP CC[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000414884367 386041393 /nfs/dbraw/zinc/04/13/93/386041393.db2.gz ODIITHGTXJLHCV-GXTWGEPZSA-N 2 1 218.344 2.132 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000414163023 386045100 /nfs/dbraw/zinc/04/51/00/386045100.db2.gz MSPMAYHEFDVXMZ-RFQIPJPRSA-N 2 1 224.392 2.495 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000414163023 386045103 /nfs/dbraw/zinc/04/51/03/386045103.db2.gz MSPMAYHEFDVXMZ-RFQIPJPRSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H]1C[C@H]1C ZINC000414145977 385995642 /nfs/dbraw/zinc/99/56/42/385995642.db2.gz KYMBWVPWAXNXBQ-BZPMIXESSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000414986066 386101202 /nfs/dbraw/zinc/10/12/02/386101202.db2.gz WXZMUTJMOGIIII-NSHDSACASA-N 2 1 226.751 2.475 20 0 BEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCc1ccccc1 ZINC000075994429 386107633 /nfs/dbraw/zinc/10/76/33/386107633.db2.gz YJWIRUBFRWBOLU-OAHLLOKOSA-N 2 1 232.371 2.432 20 0 BEADMP CC(C)CC[N@H+](CCN)Cc1ccccc1 ZINC000038033231 386115547 /nfs/dbraw/zinc/11/55/47/386115547.db2.gz HGNPUWZIKMWZFV-UHFFFAOYSA-N 2 1 220.360 2.493 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000414982241 386064042 /nfs/dbraw/zinc/06/40/42/386064042.db2.gz SAJGYLQSQVZNEZ-JTQLQIEISA-N 2 1 244.285 2.115 20 0 BEADMP Fc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)c(F)c1 ZINC000129219170 386067832 /nfs/dbraw/zinc/06/78/32/386067832.db2.gz NAMMDMPPUPFDLR-LBPRGKRZSA-N 2 1 240.297 2.197 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+]CC1([NH+](C)C)CCCC1 ZINC000336772723 386073346 /nfs/dbraw/zinc/07/33/46/386073346.db2.gz YHLMYGCNVJPHIX-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414886752 386077292 /nfs/dbraw/zinc/07/72/92/386077292.db2.gz QKVRXHYFZWJNQZ-XHSDSOJGSA-N 2 1 244.382 2.349 20 0 BEADMP COc1ccc(C[NH2+][C@@H](C)CC[NH3+])c(Cl)c1 ZINC000414889861 386122909 /nfs/dbraw/zinc/12/29/09/386122909.db2.gz SWDAJPQPUDXTKK-VIFPVBQESA-N 2 1 242.750 2.176 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414328834 386123101 /nfs/dbraw/zinc/12/31/01/386123101.db2.gz CTMJQMQISORYRZ-XHJNMGKDSA-N 2 1 248.370 2.454 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000414984521 386096229 /nfs/dbraw/zinc/09/62/29/386096229.db2.gz UXTMLCPJWVWOGK-SCOBNMCVSA-N 2 1 222.307 2.166 20 0 BEADMP CC[N@H+](Cc1ccccc1C)C[C@H]1CC[NH2+]C1 ZINC000647877335 386147372 /nfs/dbraw/zinc/14/73/72/386147372.db2.gz NZWYNFBCZCQPTQ-AWEZNQCLSA-N 2 1 232.371 2.426 20 0 BEADMP Cc1cccc([C@H]2CCC[N@H+]2CCC[NH3+])c1 ZINC000414681602 386164208 /nfs/dbraw/zinc/16/42/08/386164208.db2.gz WCGKQCSRCIJTEW-CQSZACIVSA-N 2 1 218.344 2.481 20 0 BEADMP Cc1cccc(C)c1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414894942 386179469 /nfs/dbraw/zinc/17/94/69/386179469.db2.gz MBXWUSAERWKNLE-CQSZACIVSA-N 2 1 218.344 2.130 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000336718424 386188806 /nfs/dbraw/zinc/18/88/06/386188806.db2.gz YKBLUGZUZLXIHS-YVECIDJPSA-N 2 1 212.381 2.351 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414344286 386134569 /nfs/dbraw/zinc/13/45/69/386134569.db2.gz ROZOWDLSTJMVRP-FDYHWXHSSA-N 2 1 234.343 2.065 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414344286 386134575 /nfs/dbraw/zinc/13/45/75/386134575.db2.gz ROZOWDLSTJMVRP-FDYHWXHSSA-N 2 1 234.343 2.065 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cncc(C)c1 ZINC000274638439 386136216 /nfs/dbraw/zinc/13/62/16/386136216.db2.gz SUWREVIFPGEIEB-GFCCVEGCSA-N 2 1 244.342 2.246 20 0 BEADMP CCCC[N@H+](CCOC)C[C@H]([NH3+])CC(C)C ZINC000414700577 386208266 /nfs/dbraw/zinc/20/82/66/386208266.db2.gz TWRQWCZTUGHAKT-CYBMUJFWSA-N 2 1 230.396 2.108 20 0 BEADMP CCCC[N@@H+](CCOC)C[C@H]([NH3+])CC(C)C ZINC000414700577 386208268 /nfs/dbraw/zinc/20/82/68/386208268.db2.gz TWRQWCZTUGHAKT-CYBMUJFWSA-N 2 1 230.396 2.108 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000414702306 386208867 /nfs/dbraw/zinc/20/88/67/386208867.db2.gz IGMWHLIQIHCCCU-STQMWFEESA-N 2 1 244.448 2.433 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCS[C@H](C(C)C)C1 ZINC000414702306 386208872 /nfs/dbraw/zinc/20/88/72/386208872.db2.gz IGMWHLIQIHCCCU-STQMWFEESA-N 2 1 244.448 2.433 20 0 BEADMP C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCC[NH3+] ZINC000414707046 386216316 /nfs/dbraw/zinc/21/63/16/386216316.db2.gz NJOIFMFQZSCKFU-GXTWGEPZSA-N 2 1 218.344 2.213 20 0 BEADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCC[NH3+] ZINC000414707112 386216980 /nfs/dbraw/zinc/21/69/80/386216980.db2.gz PBKJOHPPOVUFOY-DGCLKSJQSA-N 2 1 236.334 2.352 20 0 BEADMP C[C@H](c1cccnc1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414709936 386225747 /nfs/dbraw/zinc/22/57/47/386225747.db2.gz KPFWMLQJVYFAOH-MGPQQGTHSA-N 2 1 247.386 2.463 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2(SC)CC2)C1 ZINC000340562108 386228339 /nfs/dbraw/zinc/22/83/39/386228339.db2.gz VIGRFMFMEPCOIS-LBPRGKRZSA-N 2 1 242.432 2.156 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC2(SC)CC2)C1 ZINC000340562108 386228345 /nfs/dbraw/zinc/22/83/45/386228345.db2.gz VIGRFMFMEPCOIS-LBPRGKRZSA-N 2 1 242.432 2.156 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2(SC)CC2)C1 ZINC000340562108 386228349 /nfs/dbraw/zinc/22/83/49/386228349.db2.gz VIGRFMFMEPCOIS-LBPRGKRZSA-N 2 1 242.432 2.156 20 0 BEADMP C[C@@H]([NH2+]C/C=C/c1ccccc1)[C@H](C)[NH3+] ZINC000415003357 386256147 /nfs/dbraw/zinc/25/61/47/386256147.db2.gz FVSTXYVOKXASRJ-GJEJFBSKSA-N 2 1 204.317 2.025 20 0 BEADMP C[C@@H]([NH2+]C/C=C\c1ccccc1)[C@H](C)[NH3+] ZINC000415003364 386256577 /nfs/dbraw/zinc/25/65/77/386256577.db2.gz FVSTXYVOKXASRJ-NYMIHGAESA-N 2 1 204.317 2.025 20 0 BEADMP Cn1cccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366279367 386262040 /nfs/dbraw/zinc/26/20/40/386262040.db2.gz HENDZAVDINQZKQ-UHFFFAOYSA-N 2 1 247.386 2.132 20 0 BEADMP C[C@H]1c2ccccc2CC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647884446 386263918 /nfs/dbraw/zinc/26/39/18/386263918.db2.gz QKNNKCOMESBINQ-STQMWFEESA-N 2 1 230.355 2.215 20 0 BEADMP CSC1(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CC1 ZINC000340572809 386264157 /nfs/dbraw/zinc/26/41/57/386264157.db2.gz NWUROYKLLSUSOS-VXGBXAGGSA-N 2 1 242.432 2.297 20 0 BEADMP CSC1(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CC1 ZINC000340572809 386264158 /nfs/dbraw/zinc/26/41/58/386264158.db2.gz NWUROYKLLSUSOS-VXGBXAGGSA-N 2 1 242.432 2.297 20 0 BEADMP CSC1(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000340572809 386264163 /nfs/dbraw/zinc/26/41/63/386264163.db2.gz NWUROYKLLSUSOS-VXGBXAGGSA-N 2 1 242.432 2.297 20 0 BEADMP CSC1(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000340572809 386264166 /nfs/dbraw/zinc/26/41/66/386264166.db2.gz NWUROYKLLSUSOS-VXGBXAGGSA-N 2 1 242.432 2.297 20 0 BEADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647884995 386270136 /nfs/dbraw/zinc/27/01/36/386270136.db2.gz VJZIPQPXLXQQED-RFGFWPKPSA-N 2 1 222.376 2.249 20 0 BEADMP c1c2ccccc2oc1C[NH2+]C1CC[NH2+]CC1 ZINC000335278750 386347446 /nfs/dbraw/zinc/34/74/46/386347446.db2.gz NTGWKEPBUFVGBX-UHFFFAOYSA-N 2 1 230.311 2.274 20 0 BEADMP CSCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000336687961 386351247 /nfs/dbraw/zinc/35/12/47/386351247.db2.gz XYUFYMZERSSHMO-UHFFFAOYSA-N 2 1 242.432 2.300 20 0 BEADMP Cc1cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc2cccnc12 ZINC000415007214 386356098 /nfs/dbraw/zinc/35/60/98/386356098.db2.gz CKLDMSHDABSCBD-NEPJUHHUSA-N 2 1 243.354 2.369 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000063191808 386364389 /nfs/dbraw/zinc/36/43/89/386364389.db2.gz AFERYDOMUDHULF-OCCSQVGLSA-N 2 1 218.344 2.388 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000063191808 386364394 /nfs/dbraw/zinc/36/43/94/386364394.db2.gz AFERYDOMUDHULF-OCCSQVGLSA-N 2 1 218.344 2.388 20 0 BEADMP COC(C)(C)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000336692782 386366001 /nfs/dbraw/zinc/36/60/01/386366001.db2.gz IYXBJOZDZTXRAA-CHWSQXEVSA-N 2 1 242.407 2.216 20 0 BEADMP COC(C)(C)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000336692782 386366004 /nfs/dbraw/zinc/36/60/04/386366004.db2.gz IYXBJOZDZTXRAA-CHWSQXEVSA-N 2 1 242.407 2.216 20 0 BEADMP COC(C)(C)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336692782 386366007 /nfs/dbraw/zinc/36/60/07/386366007.db2.gz IYXBJOZDZTXRAA-CHWSQXEVSA-N 2 1 242.407 2.216 20 0 BEADMP COC(C)(C)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336692782 386366010 /nfs/dbraw/zinc/36/60/10/386366010.db2.gz IYXBJOZDZTXRAA-CHWSQXEVSA-N 2 1 242.407 2.216 20 0 BEADMP CC(C)(C[NH2+]Cc1ccncc1)C[NH+]1CCCC1 ZINC000276690002 386366258 /nfs/dbraw/zinc/36/62/58/386366258.db2.gz KJOQSOJPDHHKOC-UHFFFAOYSA-N 2 1 247.386 2.293 20 0 BEADMP Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)on1 ZINC000311189319 386370340 /nfs/dbraw/zinc/37/03/40/386370340.db2.gz CXRGTPBWOBWEAN-YHWZYXNKSA-N 2 1 249.358 2.088 20 0 BEADMP Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)on1 ZINC000311189319 386370344 /nfs/dbraw/zinc/37/03/44/386370344.db2.gz CXRGTPBWOBWEAN-YHWZYXNKSA-N 2 1 249.358 2.088 20 0 BEADMP CSCCC[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000336697230 386376577 /nfs/dbraw/zinc/37/65/77/386376577.db2.gz NMQSLYJEPULCSB-LBPRGKRZSA-N 2 1 230.421 2.156 20 0 BEADMP CSCCC[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000336697230 386376583 /nfs/dbraw/zinc/37/65/83/386376583.db2.gz NMQSLYJEPULCSB-LBPRGKRZSA-N 2 1 230.421 2.156 20 0 BEADMP CSCCC[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000336697230 386376587 /nfs/dbraw/zinc/37/65/87/386376587.db2.gz NMQSLYJEPULCSB-LBPRGKRZSA-N 2 1 230.421 2.156 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000453303024 386376694 /nfs/dbraw/zinc/37/66/94/386376694.db2.gz BAXWELFZJNIBHZ-XLWJZTARSA-N 2 1 236.403 2.495 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c(C)n1 ZINC000335275363 386335156 /nfs/dbraw/zinc/33/51/56/386335156.db2.gz BFPXQNPIVYZLAA-ZIAGYGMSSA-N 2 1 233.359 2.058 20 0 BEADMP CCCC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335275948 386335998 /nfs/dbraw/zinc/33/59/98/386335998.db2.gz BXYMURNAXIZUKQ-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCc3ccccc3)C[C@@H]21 ZINC000230045703 386336669 /nfs/dbraw/zinc/33/66/69/386336669.db2.gz JJPZCAXYXGHNLE-OWCLPIDISA-N 2 1 244.382 2.288 20 0 BEADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)C1CC1 ZINC000336733027 386438807 /nfs/dbraw/zinc/43/88/07/386438807.db2.gz JVZRAJSTANHOCT-CYBMUJFWSA-N 2 1 221.348 2.360 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2)CC[N@H+]1C ZINC000073655694 386451022 /nfs/dbraw/zinc/45/10/22/386451022.db2.gz KZTLAVPYGULHBC-TZMCWYRMSA-N 2 1 218.344 2.259 20 0 BEADMP CCC[C@@]1(CO)CCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414758172 386406075 /nfs/dbraw/zinc/40/60/75/386406075.db2.gz MFWPIRATDQYPNV-AWEZNQCLSA-N 2 1 242.407 2.002 20 0 BEADMP CCC[C@@]1(CO)CCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000414758172 386406082 /nfs/dbraw/zinc/40/60/82/386406082.db2.gz MFWPIRATDQYPNV-AWEZNQCLSA-N 2 1 242.407 2.002 20 0 BEADMP CC(C)[C@H](C[N@@H+]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000339413637 386413211 /nfs/dbraw/zinc/41/32/11/386413211.db2.gz YARUAUCDSBMKMA-CABCVRRESA-N 2 1 232.371 2.459 20 0 BEADMP CC(C)[C@H](C[N@H+]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000339413637 386413215 /nfs/dbraw/zinc/41/32/15/386413215.db2.gz YARUAUCDSBMKMA-CABCVRRESA-N 2 1 232.371 2.459 20 0 BEADMP [NH3+][C@H]1CC[N@H+](CCCCCOc2ccccc2)C1 ZINC000339408191 386415492 /nfs/dbraw/zinc/41/54/92/386415492.db2.gz VIYZGEILOIEFNO-AWEZNQCLSA-N 2 1 248.370 2.269 20 0 BEADMP [NH3+][C@H]1CC[N@@H+](CCCCCOc2ccccc2)C1 ZINC000339408191 386415495 /nfs/dbraw/zinc/41/54/95/386415495.db2.gz VIYZGEILOIEFNO-AWEZNQCLSA-N 2 1 248.370 2.269 20 0 BEADMP CC(C)[N@@H+](CC1CCC1)C[C@@H]1CC[NH2+]C1 ZINC000647991647 386418400 /nfs/dbraw/zinc/41/84/00/386418400.db2.gz WFRCRPTWBKWODP-CYBMUJFWSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccn1 ZINC000391182243 386466756 /nfs/dbraw/zinc/46/67/56/386466756.db2.gz KUGSYLFHFNGYJA-UHFFFAOYSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1ccoc1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000135146907 386480462 /nfs/dbraw/zinc/48/04/62/386480462.db2.gz ILQYKLUUNYEBHA-LBPRGKRZSA-N 2 1 234.343 2.162 20 0 BEADMP Cc1ccoc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000135146907 386480466 /nfs/dbraw/zinc/48/04/66/386480466.db2.gz ILQYKLUUNYEBHA-LBPRGKRZSA-N 2 1 234.343 2.162 20 0 BEADMP Cc1ccoc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000135146907 386480474 /nfs/dbraw/zinc/48/04/74/386480474.db2.gz ILQYKLUUNYEBHA-LBPRGKRZSA-N 2 1 234.343 2.162 20 0 BEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CC12CC2 ZINC000417345928 386487998 /nfs/dbraw/zinc/48/79/98/386487998.db2.gz YMAJJKXIYJALCK-RWMBFGLXSA-N 2 1 220.360 2.003 20 0 BEADMP Cc1cccc(C[NH2+][C@H](C)[C@H](C)[NH3+])c1C ZINC000415015501 386500822 /nfs/dbraw/zinc/50/08/22/386500822.db2.gz YUZVSSOVEFGKLO-NWDGAFQWSA-N 2 1 206.333 2.129 20 0 BEADMP CCC[C@@H](C)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000415050915 386505051 /nfs/dbraw/zinc/50/50/51/386505051.db2.gz DWPPEYQLAXIPRK-MNOVXSKESA-N 2 1 200.370 2.386 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414785776 386513100 /nfs/dbraw/zinc/51/31/00/386513100.db2.gz TWXGJKOMDVDABX-CBBWQLFWSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1ccncc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000135468120 386513988 /nfs/dbraw/zinc/51/39/88/386513988.db2.gz GFJFARDDSRPUKF-HUUCEWRRSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1ccncc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000135468120 386514000 /nfs/dbraw/zinc/51/40/00/386514000.db2.gz GFJFARDDSRPUKF-HUUCEWRRSA-N 2 1 245.370 2.106 20 0 BEADMP C[C@H](C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C)c1ccc(F)cc1 ZINC000414787336 386522766 /nfs/dbraw/zinc/52/27/66/386522766.db2.gz MOYXBEAIDBXNDG-SUNKGSAMSA-N 2 1 236.334 2.351 20 0 BEADMP C[C@H](C[N@H+]1CC[C@H]([NH3+])[C@@H]1C)c1ccc(F)cc1 ZINC000414787336 386522769 /nfs/dbraw/zinc/52/27/69/386522769.db2.gz MOYXBEAIDBXNDG-SUNKGSAMSA-N 2 1 236.334 2.351 20 0 BEADMP COCc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000094338930 386458253 /nfs/dbraw/zinc/45/82/53/386458253.db2.gz ZQNBPLZTTNPUAA-WFASDCNBSA-N 2 1 248.370 2.002 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000414921507 386575709 /nfs/dbraw/zinc/57/57/09/386575709.db2.gz BSKIVZFFNOAIPO-BPLDGKMQSA-N 2 1 232.371 2.335 20 0 BEADMP c1ncc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)[nH]1 ZINC000245558349 386598572 /nfs/dbraw/zinc/59/85/72/386598572.db2.gz KPPHYYXJBJVJJM-ZYHUDNBSSA-N 2 1 205.305 2.174 20 0 BEADMP c1ncc(C[N@H+]2CCC[C@H]3CCC[C@H]32)[nH]1 ZINC000245558349 386598578 /nfs/dbraw/zinc/59/85/78/386598578.db2.gz KPPHYYXJBJVJJM-ZYHUDNBSSA-N 2 1 205.305 2.174 20 0 BEADMP CC(C)([NH3+])C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000414799839 386592410 /nfs/dbraw/zinc/59/24/10/386592410.db2.gz HKAYFJIRXNIHOZ-UHFFFAOYSA-N 2 1 247.317 2.201 20 0 BEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000415045936 386531670 /nfs/dbraw/zinc/53/16/70/386531670.db2.gz CBVKCONUHFMKAF-CYBMUJFWSA-N 2 1 246.358 2.026 20 0 BEADMP Cc1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1C ZINC000414788304 386533109 /nfs/dbraw/zinc/53/31/09/386533109.db2.gz DGNLUVRHYOJUDY-CQSZACIVSA-N 2 1 220.360 2.376 20 0 BEADMP CC[C@@H]1C[C@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)CCO1 ZINC000415056043 386537077 /nfs/dbraw/zinc/53/70/77/386537077.db2.gz PDXNFQBDIMHKJM-JHJVBQTASA-N 2 1 242.407 2.155 20 0 BEADMP CC[C@]1(C)CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000399386460 386540724 /nfs/dbraw/zinc/54/07/24/386540724.db2.gz RIUVNBMEEYTJOP-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP CC(C)Oc1ccccc1C[NH2+]C1CC[NH2+]CC1 ZINC000414790180 386541841 /nfs/dbraw/zinc/54/18/41/386541841.db2.gz PFHSWQVKFAMIPL-UHFFFAOYSA-N 2 1 248.370 2.315 20 0 BEADMP COc1ccccc1/C=C/C[NH2+][C@H](C[NH3+])C1CC1 ZINC000414790399 386542976 /nfs/dbraw/zinc/54/29/76/386542976.db2.gz ACXLRYSNICJQGU-YVARQFDVSA-N 2 1 246.354 2.035 20 0 BEADMP Cc1cc(C[NH2+][C@@H](C[NH3+])C2CC2)ccc1Cl ZINC000414790837 386545732 /nfs/dbraw/zinc/54/57/32/386545732.db2.gz ALFOWKDTZDPPCP-ZDUSSCGKSA-N 2 1 238.762 2.475 20 0 BEADMP Cc1ncsc1C[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415069419 386551257 /nfs/dbraw/zinc/55/12/57/386551257.db2.gz SORHDOQMPAEUSL-LLVKDONJSA-N 2 1 239.388 2.059 20 0 BEADMP C[C@H]1CCC[C@H](C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000414791943 386551395 /nfs/dbraw/zinc/55/13/95/386551395.db2.gz RQQGFRNYPYSNIW-ZQDZILKHSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H]1CCC[C@H](C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000414791943 386551401 /nfs/dbraw/zinc/55/14/01/386551401.db2.gz RQQGFRNYPYSNIW-ZQDZILKHSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[NH2+]CCC[NH+]1CCC1 ZINC000519778192 386553916 /nfs/dbraw/zinc/55/39/16/386553916.db2.gz PQWLVCMWOMDHPI-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H](c1ccccc1F)[N@H+](C)CCC[NH3+] ZINC000062013144 386560225 /nfs/dbraw/zinc/56/02/25/386560225.db2.gz SYTULWDJYYBUPP-JTQLQIEISA-N 2 1 210.296 2.167 20 0 BEADMP C[C@@H](c1ccccc1F)[N@@H+](C)CCC[NH3+] ZINC000062013144 386560233 /nfs/dbraw/zinc/56/02/33/386560233.db2.gz SYTULWDJYYBUPP-JTQLQIEISA-N 2 1 210.296 2.167 20 0 BEADMP Cc1ccc(F)cc1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414796620 386567748 /nfs/dbraw/zinc/56/77/48/386567748.db2.gz OHYWBINDVFYMPN-CYBMUJFWSA-N 2 1 224.323 2.207 20 0 BEADMP C[C@@H]1CC(C)(C)C[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415127048 386627078 /nfs/dbraw/zinc/62/70/78/386627078.db2.gz RKFOPLUKZOQFBL-JHJVBQTASA-N 2 1 224.392 2.495 20 0 BEADMP Cc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)c(C)c1 ZINC000414810347 386630105 /nfs/dbraw/zinc/63/01/05/386630105.db2.gz VGLNKJASFPCJQU-AWEZNQCLSA-N 2 1 218.344 2.130 20 0 BEADMP Cc1ccnc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c1 ZINC000425919254 386631924 /nfs/dbraw/zinc/63/19/24/386631924.db2.gz IUTXPZZDDPQYOF-QWHCGFSZSA-N 2 1 235.375 2.238 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000414813477 386636143 /nfs/dbraw/zinc/63/61/43/386636143.db2.gz MNOXSWXOKKIUDN-BFHYXJOUSA-N 2 1 242.407 2.297 20 0 BEADMP C[NH2+]CCC[N@H+](C)C/C=C\c1ccccc1OC ZINC000415134519 386639068 /nfs/dbraw/zinc/63/90/68/386639068.db2.gz ORFPQSOOSPMJJD-TWGQIWQCSA-N 2 1 248.370 2.250 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C/C=C\c1ccccc1OC ZINC000415134519 386639074 /nfs/dbraw/zinc/63/90/74/386639074.db2.gz ORFPQSOOSPMJJD-TWGQIWQCSA-N 2 1 248.370 2.250 20 0 BEADMP [NH3+]C[C@H]([NH2+]CCC1CCCCC1)C1CC1 ZINC000414813251 386642427 /nfs/dbraw/zinc/64/24/27/386642427.db2.gz QKRHRCPDQDVCIG-ZDUSSCGKSA-N 2 1 210.365 2.284 20 0 BEADMP CC[C@@H](Cc1ccccc1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414814339 386646225 /nfs/dbraw/zinc/64/62/25/386646225.db2.gz RPDHYPVDSKTCDQ-LSDHHAIUSA-N 2 1 232.371 2.335 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@H](COC)CC(C)C ZINC000414805736 386606453 /nfs/dbraw/zinc/60/64/53/386606453.db2.gz AQJXJJGRVVGRJL-OLZOCXBDSA-N 2 1 230.396 2.155 20 0 BEADMP Cc1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)cc1F ZINC000414806143 386606520 /nfs/dbraw/zinc/60/65/20/386606520.db2.gz ZLCVPGVBBKNSRG-ZDUSSCGKSA-N 2 1 224.323 2.207 20 0 BEADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cccc(F)c1 ZINC000414805122 386608326 /nfs/dbraw/zinc/60/83/26/386608326.db2.gz ABJWJARCBRVJLR-ZDUSSCGKSA-N 2 1 224.323 2.433 20 0 BEADMP [NH3+]C[C@H]([NH2+]C/C=C\c1ccc(F)cc1)C1CC1 ZINC000414807920 386612681 /nfs/dbraw/zinc/61/26/81/386612681.db2.gz RTSPXHBBRLXOIZ-BOPNBLERSA-N 2 1 234.318 2.166 20 0 BEADMP C[C@@H](C[NH2+][C@H](C[NH3+])C1CC1)c1ccc(F)cc1 ZINC000414807474 386617278 /nfs/dbraw/zinc/61/72/78/386617278.db2.gz OCGFIJJNBZSFDH-IINYFYTJSA-N 2 1 236.334 2.256 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000414819540 386659814 /nfs/dbraw/zinc/65/98/14/386659814.db2.gz AKHWMBYRAFGHKT-LSDHHAIUSA-N 2 1 232.371 2.207 20 0 BEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000335525086 386669347 /nfs/dbraw/zinc/66/93/47/386669347.db2.gz CELOFMGZORDOCR-ZFWWWQNUSA-N 2 1 241.338 2.204 20 0 BEADMP C[NH2+]CC[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000414820999 386673895 /nfs/dbraw/zinc/67/38/95/386673895.db2.gz DMWDUTLUUHOUQO-JTQLQIEISA-N 2 1 226.751 2.253 20 0 BEADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)C[NH3+])CCC2 ZINC000335469299 386685182 /nfs/dbraw/zinc/68/51/82/386685182.db2.gz YGGYOKCKILVYFZ-RISCZKNCSA-N 2 1 218.344 2.309 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CCCC[C@H]1C ZINC000394834705 386693074 /nfs/dbraw/zinc/69/30/74/386693074.db2.gz QDKDOBKEPNTEEC-CHWSQXEVSA-N 2 1 212.381 2.354 20 0 BEADMP C[NH2+]CC[NH2+][C@@H](C)C[C@H](C)CC(C)C ZINC000414828621 386697679 /nfs/dbraw/zinc/69/76/79/386697679.db2.gz LAWVIIQMEPGXQO-NEPJUHHUSA-N 2 1 200.370 2.256 20 0 BEADMP COC(C)(C)CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337285476 386700517 /nfs/dbraw/zinc/70/05/17/386700517.db2.gz ZXXRLDLPCQJIOO-UHFFFAOYSA-N 2 1 242.407 2.219 20 0 BEADMP CC[NH2+]CC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000414830173 386706655 /nfs/dbraw/zinc/70/66/55/386706655.db2.gz NMJSTWZBKMWQHH-CYBMUJFWSA-N 2 1 220.360 2.064 20 0 BEADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000357067284 386708136 /nfs/dbraw/zinc/70/81/36/386708136.db2.gz DMKMMOKKEOCKLW-CQSZACIVSA-N 2 1 240.391 2.006 20 0 BEADMP CC(C)([NH3+])C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000050600912 386730984 /nfs/dbraw/zinc/73/09/84/386730984.db2.gz YYYJWMYIBUUOED-ZDUSSCGKSA-N 2 1 218.344 2.213 20 0 BEADMP CC(C)([NH3+])C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050600914 386731039 /nfs/dbraw/zinc/73/10/39/386731039.db2.gz YYYJWMYIBUUOED-CYBMUJFWSA-N 2 1 218.344 2.213 20 0 BEADMP C[C@H]([NH2+][C@H]1CSc2ccccc21)C1C[NH2+]C1 ZINC000335536383 386738375 /nfs/dbraw/zinc/73/83/75/386738375.db2.gz RAVZGQPOZNVFIO-CABZTGNLSA-N 2 1 234.368 2.031 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000414832062 386717763 /nfs/dbraw/zinc/71/77/63/386717763.db2.gz DDWMFOSAKZOZRL-MGPQQGTHSA-N 2 1 242.407 2.153 20 0 BEADMP C[NH2+]CC[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000414834436 386724975 /nfs/dbraw/zinc/72/49/75/386724975.db2.gz UDNOSORCSJYOLI-CYBMUJFWSA-N 2 1 220.360 2.125 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2cccc(O)c2)CCCCC1 ZINC000414842847 386755567 /nfs/dbraw/zinc/75/55/67/386755567.db2.gz NBYGWHPUEAWNFP-UHFFFAOYSA-N 2 1 234.343 2.143 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000414931404 386762261 /nfs/dbraw/zinc/76/22/61/386762261.db2.gz PZJIBIHRUHKRNL-OEAJRASXSA-N 2 1 244.382 2.378 20 0 BEADMP CC(C)C1CC([NH2+][C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000335538119 386743362 /nfs/dbraw/zinc/74/33/62/386743362.db2.gz GINYRYKMHIZAMQ-YWPUVAFDSA-N 2 1 210.365 2.151 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000414933770 386790841 /nfs/dbraw/zinc/79/08/41/386790841.db2.gz URZRHEBMPYVICX-ZMJPVWNMSA-N 2 1 218.344 2.115 20 0 BEADMP Cc1ccccc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000051256377 386777641 /nfs/dbraw/zinc/77/76/41/386777641.db2.gz NMGSAWWRHWVVOP-UHFFFAOYSA-N 2 1 220.360 2.412 20 0 BEADMP C[C@H]1CCC[C@@H](C[N@@H+](C)C2CC([NH3+])C2)C1 ZINC000394999402 386797298 /nfs/dbraw/zinc/79/72/98/386797298.db2.gz FPRYAGIQCFMSNG-ZFDZMSFRSA-N 2 1 210.365 2.234 20 0 BEADMP Cc1ccncc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000269487113 386798677 /nfs/dbraw/zinc/79/86/77/386798677.db2.gz NCQWTBHPANAZIZ-UHFFFAOYSA-N 2 1 247.386 2.164 20 0 BEADMP C[NH+](C)CCC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280308504 386800880 /nfs/dbraw/zinc/80/08/80/386800880.db2.gz OESNHMOXRJMPAB-HNNXBMFYSA-N 2 1 247.386 2.464 20 0 BEADMP C[N@@H+](CCC1CCCCC1)C1CC([NH3+])C1 ZINC000395007246 386802445 /nfs/dbraw/zinc/80/24/45/386802445.db2.gz ICOFOFVHOPXSTL-UHFFFAOYSA-N 2 1 210.365 2.378 20 0 BEADMP CC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC(C)(C)C1 ZINC000395300360 386808569 /nfs/dbraw/zinc/80/85/69/386808569.db2.gz QNRUKUPNSIHYPF-LBPRGKRZSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)Oc1cccc(C[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000395030293 386810310 /nfs/dbraw/zinc/81/03/10/386810310.db2.gz QBNRDFNOMAULMP-UHFFFAOYSA-N 2 1 248.370 2.395 20 0 BEADMP C[C@@H](C[NH2+][C@@H]1CCCc2occc21)C[NH+](C)C ZINC000293303864 386811863 /nfs/dbraw/zinc/81/18/63/386811863.db2.gz DUUJJINORAYINU-WCQYABFASA-N 2 1 236.359 2.444 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(Cl)ccc1F ZINC000414847121 386831093 /nfs/dbraw/zinc/83/10/93/386831093.db2.gz VGJCMVCTMYKBGP-SECBINFHSA-N 2 1 244.741 2.424 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)Nc1cc[nH+]cc1C ZINC000341134859 386845130 /nfs/dbraw/zinc/84/51/30/386845130.db2.gz GMIYANINDSGYQB-ZDUSSCGKSA-N 2 1 235.375 2.344 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000414938427 386851625 /nfs/dbraw/zinc/85/16/25/386851625.db2.gz YMTZSYGWBAVMAW-WDEREUQCSA-N 2 1 224.323 2.084 20 0 BEADMP CC1([NH2+]Cc2cc(F)cc(F)c2)CC[NH2+]CC1 ZINC000334844919 386892807 /nfs/dbraw/zinc/89/28/07/386892807.db2.gz WLSHOOCRDFRODO-UHFFFAOYSA-N 2 1 240.297 2.197 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414942751 386894427 /nfs/dbraw/zinc/89/44/27/386894427.db2.gz KPEXQJQOSIPSRW-ZLKJLUDKSA-N 2 1 236.334 2.399 20 0 BEADMP Cc1nc(N[C@@H](C)CC[NH+](C)C)c(C)c(C)[nH+]1 ZINC000301696259 386870970 /nfs/dbraw/zinc/87/09/70/386870970.db2.gz PTZYJADGHSVJED-VIFPVBQESA-N 2 1 236.363 2.154 20 0 BEADMP Cc1cncc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c1 ZINC000293741732 386872477 /nfs/dbraw/zinc/87/24/77/386872477.db2.gz QRXGDMFVCLCEPS-OLZOCXBDSA-N 2 1 235.375 2.238 20 0 BEADMP CC(C)[C@@H](C[NH2+][C@@H](C)C[NH3+])c1ccccc1 ZINC000414940215 386877869 /nfs/dbraw/zinc/87/78/69/386877869.db2.gz HFSYKYHUUMLCDT-GXTWGEPZSA-N 2 1 220.360 2.363 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1ccsc1 ZINC000414942334 386900209 /nfs/dbraw/zinc/90/02/09/386900209.db2.gz KBIVBRMIUNCZSH-UWVGGRQHSA-N 2 1 212.362 2.006 20 0 BEADMP CCc1ccccc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000052204665 386902922 /nfs/dbraw/zinc/90/29/22/386902922.db2.gz DWHIUYQJQRQOQC-ZDUSSCGKSA-N 2 1 232.371 2.420 20 0 BEADMP CCc1ccccc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000052204663 386903093 /nfs/dbraw/zinc/90/30/93/386903093.db2.gz DWHIUYQJQRQOQC-CYBMUJFWSA-N 2 1 232.371 2.420 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000358158248 386903683 /nfs/dbraw/zinc/90/36/83/386903683.db2.gz NKOPDLWPCXJRTE-GDBMZVCRSA-N 2 1 246.398 2.467 20 0 BEADMP C[C@H]1CC(C)(C)C[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000334853328 386905055 /nfs/dbraw/zinc/90/50/55/386905055.db2.gz JWYZOBQIGWZKGN-WCQYABFASA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000414943430 386905706 /nfs/dbraw/zinc/90/57/06/386905706.db2.gz LTLGGEZNIGGYCP-NWANDNLSSA-N 2 1 232.371 2.335 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2)CC[NH2+]1 ZINC000334867098 386924251 /nfs/dbraw/zinc/92/42/51/386924251.db2.gz ZVAPEWJAXIXTLS-ZWNOBZJWSA-N 2 1 222.307 2.056 20 0 BEADMP CCC[C@H](C)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000353013073 386989189 /nfs/dbraw/zinc/98/91/89/386989189.db2.gz YZCYITHVUYGPIK-MELADBBJSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000353013073 386989193 /nfs/dbraw/zinc/98/91/93/386989193.db2.gz YZCYITHVUYGPIK-MELADBBJSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000353013073 386989201 /nfs/dbraw/zinc/98/92/01/386989201.db2.gz YZCYITHVUYGPIK-MELADBBJSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000353013073 386989204 /nfs/dbraw/zinc/98/92/04/386989204.db2.gz YZCYITHVUYGPIK-MELADBBJSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2ccccc2)C1 ZINC000104411925 387006125 /nfs/dbraw/zinc/00/61/25/387006125.db2.gz AQAZVTBZQOGHRO-KBPBESRZSA-N 2 1 248.370 2.125 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000107934675 387038556 /nfs/dbraw/zinc/03/85/56/387038556.db2.gz ZPZHCIHRZUVCFQ-OCCSQVGLSA-N 2 1 218.344 2.164 20 0 BEADMP CCOC[C@H]1CCCC[N@@H+]1C[C@H]([NH3+])CC(C)C ZINC000313209147 387011722 /nfs/dbraw/zinc/01/17/22/387011722.db2.gz GRCNVRYAYXFQGG-ZIAGYGMSSA-N 2 1 242.407 2.251 20 0 BEADMP CCOC[C@H]1CCCC[N@H+]1C[C@H]([NH3+])CC(C)C ZINC000313209147 387011726 /nfs/dbraw/zinc/01/17/26/387011726.db2.gz GRCNVRYAYXFQGG-ZIAGYGMSSA-N 2 1 242.407 2.251 20 0 BEADMP CCOc1ccccc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000126903567 387072727 /nfs/dbraw/zinc/07/27/27/387072727.db2.gz LSZQQGXAFGYWEW-CHWSQXEVSA-N 2 1 248.370 2.254 20 0 BEADMP CCc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000334997516 387091169 /nfs/dbraw/zinc/09/11/69/387091169.db2.gz DHWYBVVNHABFIP-WFASDCNBSA-N 2 1 232.371 2.418 20 0 BEADMP C[N@@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000111824528 387092166 /nfs/dbraw/zinc/09/21/66/387092166.db2.gz KPBPQPUYVNFRFZ-AWEZNQCLSA-N 2 1 236.334 2.400 20 0 BEADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(C)n1 ZINC000334998958 387092223 /nfs/dbraw/zinc/09/22/23/387092223.db2.gz XFYXEXVXOMYSJJ-JSGCOSHPSA-N 2 1 247.386 2.258 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000335006195 387101357 /nfs/dbraw/zinc/10/13/57/387101357.db2.gz BUSLEZPFNVRCLW-YPMHNXCESA-N 2 1 222.376 2.297 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1F ZINC000335025968 387119027 /nfs/dbraw/zinc/11/90/27/387119027.db2.gz WZEBEAYWHHUEGI-STQMWFEESA-N 2 1 222.307 2.104 20 0 BEADMP Cc1ccc([C@H]([NH2+]CC2C[NH2+]C2)C2CCC2)o1 ZINC000423299048 387128776 /nfs/dbraw/zinc/12/87/76/387128776.db2.gz AYBOSSJVGJRAPX-CQSZACIVSA-N 2 1 234.343 2.238 20 0 BEADMP COCC[C@H](C)[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000186732561 387129115 /nfs/dbraw/zinc/12/91/15/387129115.db2.gz DBWHSFJAQSYUKJ-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP COCC[C@@H](C)[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000186732579 387129872 /nfs/dbraw/zinc/12/98/72/387129872.db2.gz DBWHSFJAQSYUKJ-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(F)c(Cl)c1 ZINC000423308044 387144318 /nfs/dbraw/zinc/14/43/18/387144318.db2.gz XCSAJMKBRZHIOI-MRVPVSSYSA-N 2 1 242.725 2.349 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000423343264 387192490 /nfs/dbraw/zinc/19/24/90/387192490.db2.gz ZREOONYSWKBPIH-BDAKNGLRSA-N 2 1 220.307 2.137 20 0 BEADMP [NH3+][C@H](C[NH2+][C@@H]1CCc2cc(F)ccc21)C1CC1 ZINC000423310973 387149600 /nfs/dbraw/zinc/14/96/00/387149600.db2.gz BBGSEXUXXSTHEE-ZIAGYGMSSA-N 2 1 234.318 2.140 20 0 BEADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(F)c1 ZINC000423313345 387150642 /nfs/dbraw/zinc/15/06/42/387150642.db2.gz FOSVHRSIRGRYNB-TVQRCGJNSA-N 2 1 222.307 2.214 20 0 BEADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)C[NH3+])[C@H](C)C2 ZINC000423315638 387156249 /nfs/dbraw/zinc/15/62/49/387156249.db2.gz ACYZFOPSEBLXPQ-GYSYKLTISA-N 2 1 218.344 2.165 20 0 BEADMP Cc1cccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000423315919 387157555 /nfs/dbraw/zinc/15/75/55/387157555.db2.gz JHHQDNLHMPKVJY-FZMZJTMJSA-N 2 1 218.344 2.383 20 0 BEADMP Cc1ccc(C[C@H]([NH2+][C@H](C)C[NH3+])C2CC2)cc1 ZINC000423316251 387157773 /nfs/dbraw/zinc/15/77/73/387157773.db2.gz AXYNDNLMBXFCPA-DOMZBBRYSA-N 2 1 232.371 2.253 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000423319326 387158614 /nfs/dbraw/zinc/15/86/14/387158614.db2.gz FFMWKQWEEDPBLC-XWUBHJNHSA-N 2 1 218.344 2.115 20 0 BEADMP [NH3+][C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000536949761 387160296 /nfs/dbraw/zinc/16/02/96/387160296.db2.gz YHQJRFDYJPWBLJ-AWEZNQCLSA-N 2 1 218.344 2.390 20 0 BEADMP [NH3+][C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000536949761 387160302 /nfs/dbraw/zinc/16/03/02/387160302.db2.gz YHQJRFDYJPWBLJ-AWEZNQCLSA-N 2 1 218.344 2.390 20 0 BEADMP [NH3+]CCCC[NH2+][C@@H](Cc1ccccc1)C(F)F ZINC000423319436 387162599 /nfs/dbraw/zinc/16/25/99/387162599.db2.gz FHKOZQXZWDSJLE-LBPRGKRZSA-N 2 1 242.313 2.191 20 0 BEADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccs1 ZINC000423320617 387162686 /nfs/dbraw/zinc/16/26/86/387162686.db2.gz MILUONLIOZTOFN-WCBMZHEXSA-N 2 1 210.346 2.136 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccs1 ZINC000423320613 387163175 /nfs/dbraw/zinc/16/31/75/387163175.db2.gz MILUONLIOZTOFN-PSASIEDQSA-N 2 1 210.346 2.136 20 0 BEADMP CCO[C@@H]1C[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000571745702 387167157 /nfs/dbraw/zinc/16/71/57/387167157.db2.gz WKIZNBPEFOJHLQ-QWHCGFSZSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000423324275 387168073 /nfs/dbraw/zinc/16/80/73/387168073.db2.gz KLLIEVMRAXJVLY-UMVBOHGHSA-N 2 1 248.370 2.091 20 0 BEADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccc1OC ZINC000423323848 387168370 /nfs/dbraw/zinc/16/83/70/387168370.db2.gz OYUIQSADFIIEEB-UONOGXRCSA-N 2 1 248.370 2.473 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000423328408 387169538 /nfs/dbraw/zinc/16/95/38/387169538.db2.gz OAKSTQRNDXNQNM-MRVWCRGKSA-N 2 1 218.344 2.260 20 0 BEADMP CC(C)CC(CC(C)C)[NH2+][C@H](C)C[NH3+] ZINC000423327619 387170209 /nfs/dbraw/zinc/17/02/09/387170209.db2.gz NMRXVURNYMIHOW-LLVKDONJSA-N 2 1 200.370 2.384 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000423328406 387170623 /nfs/dbraw/zinc/17/06/23/387170623.db2.gz OAKSTQRNDXNQNM-KWCYVHTRSA-N 2 1 218.344 2.260 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(OC)cc1 ZINC000423328750 387172746 /nfs/dbraw/zinc/17/27/46/387172746.db2.gz SGYKIXZUPDLTTR-CABCVRRESA-N 2 1 248.370 2.473 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423331279 387174944 /nfs/dbraw/zinc/17/49/44/387174944.db2.gz QARNTNGNXSYQTE-BZPMIXESSA-N 2 1 233.359 2.045 20 0 BEADMP Cc1ccncc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250864920 387175456 /nfs/dbraw/zinc/17/54/56/387175456.db2.gz GFJFARDDSRPUKF-GJZGRUSLSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1ccncc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250864920 387175461 /nfs/dbraw/zinc/17/54/61/387175461.db2.gz GFJFARDDSRPUKF-GJZGRUSLSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)CC2 ZINC000423333156 387178668 /nfs/dbraw/zinc/17/86/68/387178668.db2.gz VMEODQKRMFLQGP-GJZGRUSLSA-N 2 1 230.355 2.309 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000423334917 387180338 /nfs/dbraw/zinc/18/03/38/387180338.db2.gz SXQHQARAVFJWRO-GIPNMCIBSA-N 2 1 204.317 2.172 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000423334916 387180942 /nfs/dbraw/zinc/18/09/42/387180942.db2.gz SXQHQARAVFJWRO-CWSCBRNRSA-N 2 1 204.317 2.172 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000423336929 387183343 /nfs/dbraw/zinc/18/33/43/387183343.db2.gz URZBGRRHZTZXKT-RNCFNFMXSA-N 2 1 222.307 2.140 20 0 BEADMP CCCOc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423337724 387185215 /nfs/dbraw/zinc/18/52/15/387185215.db2.gz VJMJNXAZTYXRPF-NEPJUHHUSA-N 2 1 236.359 2.473 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC2CCC2)CC1(C)C ZINC000623378733 387206358 /nfs/dbraw/zinc/20/63/58/387206358.db2.gz NSYSTULCZPBYRU-LBPRGKRZSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423356473 387206933 /nfs/dbraw/zinc/20/69/33/387206933.db2.gz JWCQKRMKPLXLAF-TUAOUCFPSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423356315 387207152 /nfs/dbraw/zinc/20/71/52/387207152.db2.gz GMWBLFFMPZZJOB-FVCCEPFGSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(OC(F)F)cc1 ZINC000423360388 387212152 /nfs/dbraw/zinc/21/21/52/387212152.db2.gz FKMJXBASKPGZDR-DTWKUNHWSA-N 2 1 244.285 2.286 20 0 BEADMP C[C@@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)[C@H]1CC1(C)C ZINC000423360375 387213268 /nfs/dbraw/zinc/21/32/68/387213268.db2.gz LIFVRQDMDKETSW-KKOKHZNYSA-N 2 1 210.365 2.009 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000423363503 387215292 /nfs/dbraw/zinc/21/52/92/387215292.db2.gz JEZPHKHHPRKXEF-PKFCDNJMSA-N 2 1 236.334 2.386 20 0 BEADMP CC[C@H]([NH2+][C@@H](C)C[NH3+])c1cccc(F)c1 ZINC000423362927 387215698 /nfs/dbraw/zinc/21/56/98/387215698.db2.gz INMTXBLGRFBPDC-CABZTGNLSA-N 2 1 210.296 2.214 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000423363500 387216016 /nfs/dbraw/zinc/21/60/16/387216016.db2.gz JEZPHKHHPRKXEF-BFVZDQMLSA-N 2 1 236.334 2.386 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000423362850 387216682 /nfs/dbraw/zinc/21/66/82/387216682.db2.gz ILBCOEYYZMDQGS-GWCFXTLKSA-N 2 1 218.344 2.346 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000423365572 387219409 /nfs/dbraw/zinc/21/94/09/387219409.db2.gz KLLIEVMRAXJVLY-GZBFAFLISA-N 2 1 248.370 2.091 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000423370003 387224436 /nfs/dbraw/zinc/22/44/36/387224436.db2.gz TZFIRTSJEBYFKI-JHJVBQTASA-N 2 1 222.376 2.297 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000423370005 387224762 /nfs/dbraw/zinc/22/47/62/387224762.db2.gz TZFIRTSJEBYFKI-UPJWGTAASA-N 2 1 222.376 2.297 20 0 BEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCc3ccccc3)C[C@H]12 ZINC000336796095 387225149 /nfs/dbraw/zinc/22/51/49/387225149.db2.gz PKKFEZHLSSWPSW-OWCLPIDISA-N 2 1 244.382 2.288 20 0 BEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCc3ccccc3)C[C@@H]12 ZINC000336796093 387225345 /nfs/dbraw/zinc/22/53/45/387225345.db2.gz PKKFEZHLSSWPSW-BZUAXINKSA-N 2 1 244.382 2.288 20 0 BEADMP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)[C@H]1C[C@H]1C ZINC000423371753 387226925 /nfs/dbraw/zinc/22/69/25/387226925.db2.gz AUEXVVVRCPVCDE-MROQNXINSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000423405227 387240908 /nfs/dbraw/zinc/24/09/08/387240908.db2.gz SXQHQARAVFJWRO-GBIKHYSHSA-N 2 1 204.317 2.172 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000423407927 387244541 /nfs/dbraw/zinc/24/45/41/387244541.db2.gz WOJZXTQRADDHLJ-UWVGGRQHSA-N 2 1 242.313 2.223 20 0 BEADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H](C)C[NH3+] ZINC000423407928 387244659 /nfs/dbraw/zinc/24/46/59/387244659.db2.gz WOJZXTQRADDHLJ-ZJUUUORDSA-N 2 1 242.313 2.223 20 0 BEADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(Cl)c1 ZINC000423420521 387248861 /nfs/dbraw/zinc/24/88/61/387248861.db2.gz BMQLSHZQCPTVJN-HWNAMQAFSA-N 2 1 236.746 2.208 20 0 BEADMP CCc1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)s1 ZINC000423428633 387253931 /nfs/dbraw/zinc/25/39/31/387253931.db2.gz JNXAIGLQWJGYLY-GOONRYMUSA-N 2 1 236.384 2.179 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000423463481 387311057 /nfs/dbraw/zinc/31/10/57/387311057.db2.gz LGERMCGMVQEJBK-MWLCHTKSSA-N 2 1 240.322 2.222 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000423461641 387311459 /nfs/dbraw/zinc/31/14/59/387311459.db2.gz JZMJYXLXHYLHET-ZWNOBZJWSA-N 2 1 249.358 2.033 20 0 BEADMP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423374400 387254319 /nfs/dbraw/zinc/25/43/19/387254319.db2.gz SVBUHGBKMRLPML-QJPTWQEYSA-N 2 1 236.359 2.124 20 0 BEADMP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000423376415 387256152 /nfs/dbraw/zinc/25/61/52/387256152.db2.gz JETFOXCDPUZKAO-MBNYWOFBSA-N 2 1 233.359 2.181 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000423376718 387256859 /nfs/dbraw/zinc/25/68/59/387256859.db2.gz YMNQBTMLBFVBSO-SAXRGWBVSA-N 2 1 222.376 2.153 20 0 BEADMP COC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000423379468 387263011 /nfs/dbraw/zinc/26/30/11/387263011.db2.gz LXFOLGQNHUBRKI-QEJZJMRPSA-N 2 1 248.370 2.104 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H](CC)c1cccc(OC)c1 ZINC000423471073 387317423 /nfs/dbraw/zinc/31/74/23/387317423.db2.gz POAQMOVLZZIVPH-JSGCOSHPSA-N 2 1 236.359 2.473 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](CC)c1cccc(OC)c1 ZINC000423471074 387317648 /nfs/dbraw/zinc/31/76/48/387317648.db2.gz POAQMOVLZZIVPH-OCCSQVGLSA-N 2 1 236.359 2.473 20 0 BEADMP Cc1ccnc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000423389335 387273635 /nfs/dbraw/zinc/27/36/35/387273635.db2.gz JIXZBSURWCNQCP-AGIUHOORSA-N 2 1 233.359 2.039 20 0 BEADMP Cc1ccnc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000423389533 387273868 /nfs/dbraw/zinc/27/38/68/387273868.db2.gz VCPBLLKVURCNGZ-AVGNSLFASA-N 2 1 233.359 2.181 20 0 BEADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H](C)C[NH3+] ZINC000423390834 387276906 /nfs/dbraw/zinc/27/69/06/387276906.db2.gz KOYQBQRMLSSAPL-MNOVXSKESA-N 2 1 232.327 2.301 20 0 BEADMP C[NH2+]CCC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000643498357 387276943 /nfs/dbraw/zinc/27/69/43/387276943.db2.gz BWYIVHKSJQVJLP-ZDUSSCGKSA-N 2 1 240.297 2.151 20 0 BEADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000423433406 387283017 /nfs/dbraw/zinc/28/30/17/387283017.db2.gz CIFCUPUGVHXOAD-DCAQKATOSA-N 2 1 249.358 2.031 20 0 BEADMP CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(C)c1 ZINC000423443051 387292654 /nfs/dbraw/zinc/29/26/54/387292654.db2.gz ZWSXKZGROKEOTA-BARDWOONSA-N 2 1 230.355 2.254 20 0 BEADMP CCC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccsc1 ZINC000423444084 387293260 /nfs/dbraw/zinc/29/32/60/387293260.db2.gz WJXGXWIXGFRTKE-QNWHQSFQSA-N 2 1 236.384 2.397 20 0 BEADMP CCc1nc(C)c([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])s1 ZINC000423454705 387301998 /nfs/dbraw/zinc/30/19/98/387301998.db2.gz ZKVMYDMEVSYLOR-VGMNWLOBSA-N 2 1 241.404 2.400 20 0 BEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000423454980 387302335 /nfs/dbraw/zinc/30/23/35/387302335.db2.gz ZUPAQJOWVOIVBL-MXWKQRLJSA-N 2 1 234.343 2.103 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000423456947 387303176 /nfs/dbraw/zinc/30/31/76/387303176.db2.gz DZABHEVOWDCEEY-BXUZGUMPSA-N 2 1 234.343 2.097 20 0 BEADMP CCC[C@H](C)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352539758 387306506 /nfs/dbraw/zinc/30/65/06/387306506.db2.gz CMAJSUOCDKYPOS-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423529245 387359228 /nfs/dbraw/zinc/35/92/28/387359228.db2.gz XMEVYWCTKBJSPC-KGLIPLIRSA-N 2 1 248.370 2.024 20 0 BEADMP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])c(C)c1 ZINC000423480628 387361582 /nfs/dbraw/zinc/36/15/82/387361582.db2.gz WHERPHHILWSSGO-TUAOUCFPSA-N 2 1 236.359 2.390 20 0 BEADMP C([NH2+][C@H]1CC[C@H]1C1CCC1)[C@H]1CCCC[NH2+]1 ZINC000643502745 387362509 /nfs/dbraw/zinc/36/25/09/387362509.db2.gz OYQTZUBJNWCWQZ-RDBSUJKOSA-N 2 1 222.376 2.297 20 0 BEADMP C([NH2+][C@H]1CC[C@@H]1C1CCC1)[C@H]1CCCC[NH2+]1 ZINC000643502743 387362678 /nfs/dbraw/zinc/36/26/78/387362678.db2.gz OYQTZUBJNWCWQZ-MCIONIFRSA-N 2 1 222.376 2.297 20 0 BEADMP C[C@H](C[NH3+])[NH2+]Cc1cccc2ccccc21 ZINC000162061463 387364462 /nfs/dbraw/zinc/36/44/62/387364462.db2.gz FSHWVTSLBVCGTE-LLVKDONJSA-N 2 1 214.312 2.277 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)[C@H]1C[C@@H]1C ZINC000643502705 387364572 /nfs/dbraw/zinc/36/45/72/387364572.db2.gz ONQDNWGYGCUNON-CYDGBPFRSA-N 2 1 210.365 2.153 20 0 BEADMP C([NH2+][C@H]1CCC12CCC2)[C@H]1CCCC[NH2+]1 ZINC000643502487 387366874 /nfs/dbraw/zinc/36/68/74/387366874.db2.gz HXQAVGKPQFAFNO-NEPJUHHUSA-N 2 1 208.349 2.051 20 0 BEADMP CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)CCO1 ZINC000423558371 387375183 /nfs/dbraw/zinc/37/51/83/387375183.db2.gz SJAWENNSDYTSGD-QJPTWQEYSA-N 2 1 249.358 2.102 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)C1(C)CC1 ZINC000423479666 387325848 /nfs/dbraw/zinc/32/58/48/387325848.db2.gz OOGIVSWJHSYDGQ-NXEZZACHSA-N 2 1 232.318 2.009 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000423482999 387328971 /nfs/dbraw/zinc/32/89/71/387328971.db2.gz XRJJVWWKBFEQDD-YGRLFVJLSA-N 2 1 234.343 2.105 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000423485235 387332231 /nfs/dbraw/zinc/33/22/31/387332231.db2.gz YZHXZBPHSOAWGU-PKFCDNJMSA-N 2 1 234.343 2.095 20 0 BEADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000235138563 387334534 /nfs/dbraw/zinc/33/45/34/387334534.db2.gz SSLBKEWGKGTDQR-SMDDNHRTSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000235137912 387334930 /nfs/dbraw/zinc/33/49/30/387334930.db2.gz SSLBKEWGKGTDQR-FZMZJTMJSA-N 2 1 236.334 2.098 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000515096813 387336756 /nfs/dbraw/zinc/33/67/56/387336756.db2.gz TUDYZPCAZPMTJP-IHRRRGAJSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000515096813 387336763 /nfs/dbraw/zinc/33/67/63/387336763.db2.gz TUDYZPCAZPMTJP-IHRRRGAJSA-N 2 1 242.407 2.120 20 0 BEADMP [NH3+]C[C@@H]([NH2+][C@H]1CCC12CCC2)C1CCCC1 ZINC000423504066 387343487 /nfs/dbraw/zinc/34/34/87/387343487.db2.gz NJBPYMYPBTYQGK-OLZOCXBDSA-N 2 1 222.376 2.426 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CC[N@H+]1C ZINC000309805530 387344464 /nfs/dbraw/zinc/34/44/64/387344464.db2.gz SBQALMADEAEYSJ-WCQYABFASA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)C1CC1 ZINC000423508470 387344639 /nfs/dbraw/zinc/34/46/39/387344639.db2.gz QVRATTDTMDBVPK-STQMWFEESA-N 2 1 210.365 2.282 20 0 BEADMP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@H]1C[C@H]1C ZINC000423508653 387345204 /nfs/dbraw/zinc/34/52/04/387345204.db2.gz IXDRIYIRGYOQKA-DMVVEVTLSA-N 2 1 244.382 2.376 20 0 BEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccnc1 ZINC000423516550 387349608 /nfs/dbraw/zinc/34/96/08/387349608.db2.gz YBCPZVWKQGRNNT-FZMZJTMJSA-N 2 1 233.359 2.250 20 0 BEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccnc1 ZINC000423516552 387349971 /nfs/dbraw/zinc/34/99/71/387349971.db2.gz YBCPZVWKQGRNNT-SMDDNHRTSA-N 2 1 233.359 2.250 20 0 BEADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643506912 387460490 /nfs/dbraw/zinc/46/04/90/387460490.db2.gz MIROEFOKNHEXSY-STQMWFEESA-N 2 1 210.365 2.153 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000355295866 387516826 /nfs/dbraw/zinc/51/68/26/387516826.db2.gz SFJNGIMXPOVDQQ-MGPQQGTHSA-N 2 1 242.407 2.121 20 0 BEADMP CN(CC[C@H]1CCCC[N@H+]1C)CC1(F)CC1 ZINC000527220173 387535279 /nfs/dbraw/zinc/53/52/79/387535279.db2.gz FUNFWDXEJJUQEY-GFCCVEGCSA-N 2 1 228.355 2.295 20 0 BEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]CC2(F)CC2)C1 ZINC000527232874 387541379 /nfs/dbraw/zinc/54/13/79/387541379.db2.gz XCWGCBWYLGUCRY-CYBMUJFWSA-N 2 1 242.382 2.446 20 0 BEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CC2(F)CC2)C1 ZINC000527232874 387541384 /nfs/dbraw/zinc/54/13/84/387541384.db2.gz XCWGCBWYLGUCRY-CYBMUJFWSA-N 2 1 242.382 2.446 20 0 BEADMP C(C[NH2+]C1CC1)[NH2+][C@H](C1CC1)C1CCCC1 ZINC000643508025 387481759 /nfs/dbraw/zinc/48/17/59/387481759.db2.gz APDHWDXPOBMHLW-AWEZNQCLSA-N 2 1 222.376 2.297 20 0 BEADMP FCCC[C@H]1CCC[C@@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507989 387482352 /nfs/dbraw/zinc/48/23/52/387482352.db2.gz YIZSMQPTKZRPLW-YPMHNXCESA-N 2 1 228.355 2.246 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CCCCC1 ZINC000396699821 387485807 /nfs/dbraw/zinc/48/58/07/387485807.db2.gz KSGLJVOKWHGDRC-YPMHNXCESA-N 2 1 210.365 2.297 20 0 BEADMP Cc1ccncc1[C@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000643508385 387488719 /nfs/dbraw/zinc/48/87/19/387488719.db2.gz YGEVWAYNTGPCCK-ZDUSSCGKSA-N 2 1 235.375 2.429 20 0 BEADMP CC[NH+]1CCC([N@H+](C)CC2CCC2)CC1 ZINC000362189292 387580965 /nfs/dbraw/zinc/58/09/65/387580965.db2.gz VVRGMUYCYLJZHO-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)CC2CCC2)CC1 ZINC000362189292 387580970 /nfs/dbraw/zinc/58/09/70/387580970.db2.gz VVRGMUYCYLJZHO-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCSC[C@H](C)C1 ZINC000379553235 387586311 /nfs/dbraw/zinc/58/63/11/387586311.db2.gz VUEYIAAWISJDKH-NEPJUHHUSA-N 2 1 230.421 2.045 20 0 BEADMP C[C@@H]([NH2+]CCOC1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000400725161 387590377 /nfs/dbraw/zinc/59/03/77/387590377.db2.gz PEEICWPWVONAFS-OCCSQVGLSA-N 2 1 240.391 2.066 20 0 BEADMP CC(C)CCOCC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000123714333 387592084 /nfs/dbraw/zinc/59/20/84/387592084.db2.gz PMBRDIZWIGOCPB-AWEZNQCLSA-N 2 1 244.423 2.354 20 0 BEADMP C1CC1[NH+]1CCC([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000337641536 387593150 /nfs/dbraw/zinc/59/31/50/387593150.db2.gz GOXAHRRFPZTWFQ-UGFHNGPFSA-N 2 1 234.387 2.391 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c(C)n1 ZINC000643511831 387594657 /nfs/dbraw/zinc/59/46/57/387594657.db2.gz UOOCBNSGAMVXCO-BXUZGUMPSA-N 2 1 235.375 2.332 20 0 BEADMP CC[C@@H](Cc1cccs1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000643512624 387596324 /nfs/dbraw/zinc/59/63/24/387596324.db2.gz LPBQKMLYLAAVEL-AAEUAGOBSA-N 2 1 238.400 2.396 20 0 BEADMP C[C@@H](Cc1cccs1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000643512659 387597473 /nfs/dbraw/zinc/59/74/73/387597473.db2.gz OJUUYMWNCJPOHL-JOYOIKCWSA-N 2 1 224.373 2.006 20 0 BEADMP CC(C)([NH3+])C[NH2+]Cc1cccc(C2CC2)c1 ZINC000422555301 387599472 /nfs/dbraw/zinc/59/94/72/387599472.db2.gz OYUYZIKAGNFBEW-UHFFFAOYSA-N 2 1 218.344 2.391 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1cccc(C2CC2)c1 ZINC000422558898 387601083 /nfs/dbraw/zinc/60/10/83/387601083.db2.gz ZXZZYSLPPNULNH-AWEZNQCLSA-N 2 1 218.344 2.391 20 0 BEADMP CCC[NH2+]CC[NH2+][C@@H](C)CCc1ccco1 ZINC000643515381 387601442 /nfs/dbraw/zinc/60/14/42/387601442.db2.gz YGQNNHDKNANGAR-LBPRGKRZSA-N 2 1 224.348 2.190 20 0 BEADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(Cl)c(F)c1 ZINC000643516090 387621953 /nfs/dbraw/zinc/62/19/53/387621953.db2.gz BHRQKWTVTIHMGR-MRVPVSSYSA-N 2 1 242.725 2.349 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCc1ccc(C)cc1 ZINC000430549741 387627484 /nfs/dbraw/zinc/62/74/84/387627484.db2.gz NPCZTKRPWZMKNW-OAHLLOKOSA-N 2 1 232.371 2.221 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+]1CCc1ccc(C)cc1 ZINC000430549741 387627488 /nfs/dbraw/zinc/62/74/88/387627488.db2.gz NPCZTKRPWZMKNW-OAHLLOKOSA-N 2 1 232.371 2.221 20 0 BEADMP COCCCCC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430556768 387628051 /nfs/dbraw/zinc/62/80/51/387628051.db2.gz VBIAKKYYAGMRLK-CYBMUJFWSA-N 2 1 230.396 2.108 20 0 BEADMP Cc1ccc(CC[NH2+][C@@](C)(C[NH3+])C2CC2)cc1 ZINC000430583557 387631697 /nfs/dbraw/zinc/63/16/97/387631697.db2.gz MZDSARUHOQEBTI-HNNXBMFYSA-N 2 1 232.371 2.255 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCc2ccc(C)cc2)C1 ZINC000430605606 387632472 /nfs/dbraw/zinc/63/24/72/387632472.db2.gz STFGTPOTJXOQON-MRXNPFEDSA-N 2 1 246.398 2.469 20 0 BEADMP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC([NH3+])CC1 ZINC000430630992 387633667 /nfs/dbraw/zinc/63/36/67/387633667.db2.gz SNLONNPIEDUGGN-TZMCWYRMSA-N 2 1 240.391 2.005 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000356254190 387634188 /nfs/dbraw/zinc/63/41/88/387634188.db2.gz HHKFCHBXIWPNMY-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000356254190 387634194 /nfs/dbraw/zinc/63/41/94/387634194.db2.gz HHKFCHBXIWPNMY-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1ccccc1 ZINC000422732467 387640634 /nfs/dbraw/zinc/64/06/34/387640634.db2.gz OKWPIFQVLQEABS-DZGCQCFKSA-N 2 1 232.371 2.207 20 0 BEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC000422736873 387646147 /nfs/dbraw/zinc/64/61/47/387646147.db2.gz HFRGOLYRGZEGBR-BDAKNGLRSA-N 2 1 228.286 2.180 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccnc(C)c2)C1 ZINC000527643837 387652191 /nfs/dbraw/zinc/65/21/91/387652191.db2.gz CZPGKYDOSBFMDS-HNNXBMFYSA-N 2 1 247.386 2.212 20 0 BEADMP Cc1cccnc1[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)C(C)C ZINC000422748784 387653420 /nfs/dbraw/zinc/65/34/20/387653420.db2.gz WEOVGKJLRQRPML-JSGCOSHPSA-N 2 1 247.386 2.285 20 0 BEADMP CCCCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422748844 387653715 /nfs/dbraw/zinc/65/37/15/387653715.db2.gz WNABFEBTUBPEFY-SNVBAGLBSA-N 2 1 207.321 2.335 20 0 BEADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000422756223 387658569 /nfs/dbraw/zinc/65/85/69/387658569.db2.gz HLFAORZFNLTDBU-XQQFMLRXSA-N 3 1 243.439 2.068 20 0 BEADMP CCC[NH2+]CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000228716189 387660371 /nfs/dbraw/zinc/66/03/71/387660371.db2.gz DXSGNSZNAFLOOH-GJZGRUSLSA-N 2 1 232.371 2.379 20 0 BEADMP CCc1ccc(CC[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000430953865 387664005 /nfs/dbraw/zinc/66/40/05/387664005.db2.gz DBSYYHOIQGLIPA-CZUORRHYSA-N 2 1 246.398 2.461 20 0 BEADMP Cc1ccccc1OCCC[N@@H+](C)[C@H](C)CN ZINC000430966646 387665502 /nfs/dbraw/zinc/66/55/02/387665502.db2.gz PEVZEJDAVUBSFP-CYBMUJFWSA-N 2 1 236.359 2.043 20 0 BEADMP Cc1ccccc1OCCC[N@H+](C)[C@H](C)CN ZINC000430966646 387665512 /nfs/dbraw/zinc/66/55/12/387665512.db2.gz PEVZEJDAVUBSFP-CYBMUJFWSA-N 2 1 236.359 2.043 20 0 BEADMP Cc1ccccc1OCCC[N@@H+](C)[C@H](C)C[NH3+] ZINC000430966646 387665514 /nfs/dbraw/zinc/66/55/14/387665514.db2.gz PEVZEJDAVUBSFP-CYBMUJFWSA-N 2 1 236.359 2.043 20 0 BEADMP Cc1ccccc1OCCC[N@H+](C)[C@H](C)C[NH3+] ZINC000430966646 387665518 /nfs/dbraw/zinc/66/55/18/387665518.db2.gz PEVZEJDAVUBSFP-CYBMUJFWSA-N 2 1 236.359 2.043 20 0 BEADMP CCC[N@@H+](CCCCCOC)C1CC[NH2+]CC1 ZINC000431069030 387674494 /nfs/dbraw/zinc/67/44/94/387674494.db2.gz DWYCEKZQGYIEKB-UHFFFAOYSA-N 2 1 242.407 2.267 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000422792636 387696245 /nfs/dbraw/zinc/69/62/45/387696245.db2.gz RELSGANBDXBKGA-HIFRSBDPSA-N 2 1 248.370 2.043 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1ccc(OC(F)F)cc1 ZINC000123344434 387682744 /nfs/dbraw/zinc/68/27/44/387682744.db2.gz LCWMVFKMKZRDOM-UHFFFAOYSA-N 2 1 244.285 2.069 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@@H+](CCCOc2ccccc2)C1 ZINC000044530186 387686678 /nfs/dbraw/zinc/68/66/78/387686678.db2.gz GBEXMMYXBDXPIX-AWEZNQCLSA-N 2 1 248.370 2.126 20 0 BEADMP C(C1CCCCC1)[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000128420400 387744567 /nfs/dbraw/zinc/74/45/67/387744567.db2.gz FSANDADYTGBVNK-UONOGXRCSA-N 2 1 222.376 2.251 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CC23CC3)CC1 ZINC000527843077 387750810 /nfs/dbraw/zinc/75/08/10/387750810.db2.gz ABZCXWKLJRKCLP-YPMHNXCESA-N 2 1 222.376 2.249 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CC23CC3)CC1 ZINC000527843076 387751123 /nfs/dbraw/zinc/75/11/23/387751123.db2.gz ABZCXWKLJRKCLP-WCQYABFASA-N 2 1 222.376 2.249 20 0 BEADMP CC[C@H](F)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000440794356 387701979 /nfs/dbraw/zinc/70/19/79/387701979.db2.gz YWIRSZCHBBCMLD-AVGNSLFASA-N 2 1 228.355 2.151 20 0 BEADMP CC[C@H](F)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000440794356 387701983 /nfs/dbraw/zinc/70/19/83/387701983.db2.gz YWIRSZCHBBCMLD-AVGNSLFASA-N 2 1 228.355 2.151 20 0 BEADMP CC[C@H](F)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000440794356 387701989 /nfs/dbraw/zinc/70/19/89/387701989.db2.gz YWIRSZCHBBCMLD-AVGNSLFASA-N 2 1 228.355 2.151 20 0 BEADMP CC[C@H](F)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000440794356 387701993 /nfs/dbraw/zinc/70/19/93/387701993.db2.gz YWIRSZCHBBCMLD-AVGNSLFASA-N 2 1 228.355 2.151 20 0 BEADMP CCOCc1ccccc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422810803 387709236 /nfs/dbraw/zinc/70/92/36/387709236.db2.gz SMOBHGQAPZPHBP-CABCVRRESA-N 2 1 248.370 2.193 20 0 BEADMP CCO[C@H](CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000422814302 387711015 /nfs/dbraw/zinc/71/10/15/387711015.db2.gz UFQDSVVEBQCIBZ-MELADBBJSA-N 2 1 242.407 2.025 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCCSC1)[C@H]1CCCC[NH2+]1 ZINC000422816921 387713496 /nfs/dbraw/zinc/71/34/96/387713496.db2.gz GMCNBOHMFLGPMO-GRYCIOLGSA-N 2 1 228.405 2.002 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c(C)n1 ZINC000643525816 387755292 /nfs/dbraw/zinc/75/52/92/387755292.db2.gz QQQHSBNKUWMOEJ-KWCYVHTRSA-N 2 1 247.386 2.490 20 0 BEADMP c1cnc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522893 387725777 /nfs/dbraw/zinc/72/57/77/387725777.db2.gz UNSSHUCNJHEWRE-KBPBESRZSA-N 2 1 245.370 2.191 20 0 BEADMP CCOCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422832170 387725790 /nfs/dbraw/zinc/72/57/90/387725790.db2.gz KMIMRVWONRHEPA-HUUCEWRRSA-N 2 1 248.370 2.193 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCCc2ccccc21 ZINC000643526114 387755684 /nfs/dbraw/zinc/75/56/84/387755684.db2.gz PNYXBUAEFYZKSV-GXFFZTMASA-N 2 1 204.317 2.001 20 0 BEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CC12CC2 ZINC000527905330 387761662 /nfs/dbraw/zinc/76/16/62/387761662.db2.gz NJIRALPBUZSAAA-RKFYDKJMSA-N 2 1 234.387 2.390 20 0 BEADMP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H](C)[NH3+] ZINC000643527196 387763449 /nfs/dbraw/zinc/76/34/49/387763449.db2.gz KLNMVCZOZAWROB-MFKMUULPSA-N 2 1 234.343 2.009 20 0 BEADMP COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H](C)[NH3+] ZINC000643527197 387763637 /nfs/dbraw/zinc/76/36/37/387763637.db2.gz KLNMVCZOZAWROB-ZWNOBZJWSA-N 2 1 234.343 2.009 20 0 BEADMP CC(C)c1csc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000422891112 387763801 /nfs/dbraw/zinc/76/38/01/387763801.db2.gz JZISXJFOSSYZTC-ZJUUUORDSA-N 2 1 241.404 2.482 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000643527532 387766251 /nfs/dbraw/zinc/76/62/51/387766251.db2.gz OFGAILHCUQNNHB-RNCFNFMXSA-N 2 1 222.307 2.140 20 0 BEADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cc2c(s1)CCC2 ZINC000643528294 387768143 /nfs/dbraw/zinc/76/81/43/387768143.db2.gz GQAVOENGGCGAPD-DTWKUNHWSA-N 2 1 224.373 2.235 20 0 BEADMP Cc1cccc(C[C@H]([NH2+][C@H]2CC[NH2+]C2)C2CC2)c1 ZINC000422910181 387770085 /nfs/dbraw/zinc/77/00/85/387770085.db2.gz HMACWNRIMAOJLL-HOTGVXAUSA-N 2 1 244.382 2.268 20 0 BEADMP CSc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643528622 387770501 /nfs/dbraw/zinc/77/05/01/387770501.db2.gz MELTXMRCERDBPW-UWVGGRQHSA-N 2 1 224.373 2.406 20 0 BEADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@H](C)[NH3+])c1 ZINC000643528882 387772131 /nfs/dbraw/zinc/77/21/31/387772131.db2.gz QNVRBEYSLWEPBS-NWDGAFQWSA-N 2 1 206.333 2.301 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000643528120 387775331 /nfs/dbraw/zinc/77/53/31/387775331.db2.gz ZURQWIBPBRONHM-NOZJJQNGSA-N 2 1 222.307 2.140 20 0 BEADMP Cc1cc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc(C)c1F ZINC000643529073 387775525 /nfs/dbraw/zinc/77/55/25/387775525.db2.gz UKJONSPXGRJHEN-GHMZBOCLSA-N 2 1 224.323 2.440 20 0 BEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CC(C)C1 ZINC000422922234 387776906 /nfs/dbraw/zinc/77/69/06/387776906.db2.gz SGSSBYONSPPCBD-NREAYKGKSA-N 2 1 232.371 2.333 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC2CC=CC2)[C@H]2CCC[C@@H]21 ZINC000527944006 387781137 /nfs/dbraw/zinc/78/11/37/387781137.db2.gz BDROIXWANAGQGV-ILXRZTDVSA-N 2 1 234.387 2.415 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC2CC=CC2)CC[N@H+]1C ZINC000527945548 387781530 /nfs/dbraw/zinc/78/15/30/387781530.db2.gz SGIYLIYGBRAERS-DGCLKSJQSA-N 2 1 208.349 2.025 20 0 BEADMP C[C@H]1C[N@@H+](CCC[NH2+]CC(C)(C)C)CCCO1 ZINC000432363080 387784270 /nfs/dbraw/zinc/78/42/70/387784270.db2.gz SBCMHUSSKVNNIM-ZDUSSCGKSA-N 2 1 242.407 2.123 20 0 BEADMP CCCOc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422901581 387787165 /nfs/dbraw/zinc/78/71/65/387787165.db2.gz SFMUYLAIYQSEJN-CABCVRRESA-N 2 1 248.370 2.445 20 0 BEADMP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422901584 387787543 /nfs/dbraw/zinc/78/75/43/387787543.db2.gz SFMUYLAIYQSEJN-LSDHHAIUSA-N 2 1 248.370 2.445 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CC1(C)C)c1c[nH+]ccc1N ZINC000422953606 387810222 /nfs/dbraw/zinc/81/02/22/387810222.db2.gz FWHHBZGGXCIDMN-NXEZZACHSA-N 2 1 219.332 2.191 20 0 BEADMP Cc1cnccc1CC[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000564081161 387820172 /nfs/dbraw/zinc/82/01/72/387820172.db2.gz ZDVPRGORBQBCTH-LSDHHAIUSA-N 2 1 248.370 2.025 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000322057551 387872987 /nfs/dbraw/zinc/87/29/87/387872987.db2.gz QMAQMUYWPCSQNY-YVECIDJPSA-N 2 1 212.381 2.351 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000322057551 387872988 /nfs/dbraw/zinc/87/29/88/387872988.db2.gz QMAQMUYWPCSQNY-YVECIDJPSA-N 2 1 212.381 2.351 20 0 BEADMP COCCCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442754965 387835161 /nfs/dbraw/zinc/83/51/61/387835161.db2.gz JEYNPOQYQZFSAJ-PBWFPOADSA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)OCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442761482 387835498 /nfs/dbraw/zinc/83/54/98/387835498.db2.gz XMFMDXJKCRRKNW-PBWFPOADSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC12CCC(CC1)C2 ZINC000423018209 387840497 /nfs/dbraw/zinc/84/04/97/387840497.db2.gz YKSITDLEHKWFFB-ZIHBUVQPSA-N 2 1 222.376 2.154 20 0 BEADMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccncc1 ZINC000643460410 387874210 /nfs/dbraw/zinc/87/42/10/387874210.db2.gz ZYXDZLHLFCCFAZ-YDHLFZDLSA-N 2 1 247.386 2.305 20 0 BEADMP CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423042236 387854859 /nfs/dbraw/zinc/85/48/59/387854859.db2.gz YTGLDEJHWUOTKF-IVZWLZJFSA-N 2 1 238.297 2.448 20 0 BEADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1C[C@@H]1C ZINC000322025193 387856525 /nfs/dbraw/zinc/85/65/25/387856525.db2.gz LAXQQBIBALMDSD-UHTWSYAYSA-N 2 1 210.365 2.105 20 0 BEADMP CCc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193646620 387860317 /nfs/dbraw/zinc/86/03/17/387860317.db2.gz ZWNYYSRKSUWKLX-IYBDPMFKSA-N 2 1 244.382 2.242 20 0 BEADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccncc1 ZINC000643460405 387874610 /nfs/dbraw/zinc/87/46/10/387874610.db2.gz ZYXDZLHLFCCFAZ-IPYPFGDCSA-N 2 1 247.386 2.305 20 0 BEADMP COc1ccc(F)cc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423066129 387869467 /nfs/dbraw/zinc/86/94/67/387869467.db2.gz WBGKIRIBMKDFLY-VHSXEESVSA-N 2 1 240.322 2.050 20 0 BEADMP Fc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000309520249 387815063 /nfs/dbraw/zinc/81/50/63/387815063.db2.gz TXMFQUXWAJJJGF-UHFFFAOYSA-N 2 1 222.307 2.011 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000422968401 387818585 /nfs/dbraw/zinc/81/85/85/387818585.db2.gz WSPVZXIUMCHGDX-OCCSQVGLSA-N 2 1 222.376 2.465 20 0 BEADMP Cc1cnccc1CC[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000564081160 387819532 /nfs/dbraw/zinc/81/95/32/387819532.db2.gz ZDVPRGORBQBCTH-HUUCEWRRSA-N 2 1 248.370 2.025 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000423101960 387889767 /nfs/dbraw/zinc/88/97/67/387889767.db2.gz WROPMGPYDGAQOJ-MXWKQRLJSA-N 2 1 232.318 2.009 20 0 BEADMP C[C@H]1CCCC[C@@H]1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194536154 387889806 /nfs/dbraw/zinc/88/98/06/387889806.db2.gz KRVZXGLBXOSOMF-LJISPDSOSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@H]1CCCC[C@@H]1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194536154 387889807 /nfs/dbraw/zinc/88/98/07/387889807.db2.gz KRVZXGLBXOSOMF-LJISPDSOSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@H]1CCCC[C@@H]1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000194536154 387889809 /nfs/dbraw/zinc/88/98/09/387889809.db2.gz KRVZXGLBXOSOMF-LJISPDSOSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H]1C ZINC000423109603 387893761 /nfs/dbraw/zinc/89/37/61/387893761.db2.gz NXMFEFDGVWISLL-DHMWGJHJSA-N 2 1 232.371 2.333 20 0 BEADMP Cc1cccc(CCC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)n1 ZINC000423113385 387896337 /nfs/dbraw/zinc/89/63/37/387896337.db2.gz YQKXQOKPUMYHDW-DZGCQCFKSA-N 2 1 247.386 2.053 20 0 BEADMP CC[C@](C)(C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)OC ZINC000322518374 387878737 /nfs/dbraw/zinc/87/87/37/387878737.db2.gz KYEOBZAGSICWPT-MELADBBJSA-N 2 1 240.391 2.018 20 0 BEADMP CC[C@](C)(C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)OC ZINC000322518374 387878741 /nfs/dbraw/zinc/87/87/41/387878741.db2.gz KYEOBZAGSICWPT-MELADBBJSA-N 2 1 240.391 2.018 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(C)nc1C ZINC000643540611 387881356 /nfs/dbraw/zinc/88/13/56/387881356.db2.gz YHZCSQVAJDKTTO-PWSUYJOCSA-N 2 1 221.348 2.086 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000157893957 387882401 /nfs/dbraw/zinc/88/24/01/387882401.db2.gz MCRPDVMSLZZPJJ-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccco1 ZINC000168718811 387904569 /nfs/dbraw/zinc/90/45/69/387904569.db2.gz LUWVHJDHMSWQOK-WDEREUQCSA-N 2 1 208.305 2.072 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000423131757 387908862 /nfs/dbraw/zinc/90/88/62/387908862.db2.gz IKXRHERYUJERJL-WTIISPKJSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@H]([NH2+]Cc1ccc(C2CC2)cc1F)C1C[NH2+]C1 ZINC000423134394 387911479 /nfs/dbraw/zinc/91/14/79/387911479.db2.gz RSPVHYAMUYVKMC-JTQLQIEISA-N 2 1 248.345 2.401 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H](OC)[C@@H](C)CC)[C@@H]1CCC[NH2+]1 ZINC000423152467 387932103 /nfs/dbraw/zinc/93/21/03/387932103.db2.gz FEMSMKPBRPPBLE-RFQIPJPRSA-N 2 1 242.407 2.168 20 0 BEADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000423145451 387922194 /nfs/dbraw/zinc/92/21/94/387922194.db2.gz KROIIFBEYNSCBR-YFKTTZPYSA-N 2 1 214.328 2.127 20 0 BEADMP C[C@H]([NH2+]CC(C)(C)c1ccccn1)[C@H]1CCC[NH2+]1 ZINC000423149811 387927579 /nfs/dbraw/zinc/92/75/79/387927579.db2.gz XWLOODVMQOBQLT-QWHCGFSZSA-N 2 1 247.386 2.089 20 0 BEADMP C[C@@H]([NH2+]CC(C)(C)c1ccccn1)[C@H]1CCC[NH2+]1 ZINC000423149809 387927988 /nfs/dbraw/zinc/92/79/88/387927988.db2.gz XWLOODVMQOBQLT-CHWSQXEVSA-N 2 1 247.386 2.089 20 0 BEADMP Cc1ccc(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)nc1 ZINC000423168349 387952527 /nfs/dbraw/zinc/95/25/27/387952527.db2.gz ULGWBKCDRWUWAQ-HIFRSBDPSA-N 2 1 247.386 2.053 20 0 BEADMP C[N@H+](CC1=CCCC1)C[C@H]1CCC[NH+](C)C1 ZINC000645807751 387954507 /nfs/dbraw/zinc/95/45/07/387954507.db2.gz AFSGITWSKYHKDT-AWEZNQCLSA-N 2 1 222.376 2.370 20 0 BEADMP C[NH+](CC1=CCCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000645807751 387954511 /nfs/dbraw/zinc/95/45/11/387954511.db2.gz AFSGITWSKYHKDT-AWEZNQCLSA-N 2 1 222.376 2.370 20 0 BEADMP C[NH+](CC1=CCCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000645807751 387954515 /nfs/dbraw/zinc/95/45/15/387954515.db2.gz AFSGITWSKYHKDT-AWEZNQCLSA-N 2 1 222.376 2.370 20 0 BEADMP CC(C)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044535006 387939137 /nfs/dbraw/zinc/93/91/37/387939137.db2.gz PFZADHSVZZJEMN-OLZOCXBDSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000423160437 387941792 /nfs/dbraw/zinc/94/17/92/387941792.db2.gz HGSQFOOVFWYPPF-GXSJLCMTSA-N 2 1 232.318 2.009 20 0 BEADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)[C@@H]1C[C@H]1C ZINC000321070015 387942585 /nfs/dbraw/zinc/94/25/85/387942585.db2.gz KGSAJKQINZFVRT-RTXFEEFZSA-N 2 1 221.348 2.216 20 0 BEADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)[C@@H]1C[C@@H]1C ZINC000321084455 387945957 /nfs/dbraw/zinc/94/59/57/387945957.db2.gz MIPPHJJVLUACGH-YUTCNCBUSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)[C@@H]1C[C@H]1C ZINC000321084452 387946016 /nfs/dbraw/zinc/94/60/16/387946016.db2.gz MIPPHJJVLUACGH-BNOWGMLFSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H](CCCC[NH3+])[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000423164812 387948591 /nfs/dbraw/zinc/94/85/91/387948591.db2.gz SWPKWSCJPLBVBM-UONOGXRCSA-N 2 1 240.391 2.006 20 0 BEADMP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CC[NH3+])C1 ZINC000423176382 387962898 /nfs/dbraw/zinc/96/28/98/387962898.db2.gz BZDRVAYGRBGGJF-KGLIPLIRSA-N 2 1 218.344 2.045 20 0 BEADMP [NH3+]CC[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000423178676 387964664 /nfs/dbraw/zinc/96/46/64/387964664.db2.gz GFECBRCDCKUXKB-CQSZACIVSA-N 2 1 218.344 2.466 20 0 BEADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@H]1C ZINC000245603551 387965067 /nfs/dbraw/zinc/96/50/67/387965067.db2.gz JLVCENIRZQBVIT-AGIUHOORSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC000245603551 387965068 /nfs/dbraw/zinc/96/50/68/387965068.db2.gz JLVCENIRZQBVIT-AGIUHOORSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC000245603551 387965069 /nfs/dbraw/zinc/96/50/69/387965069.db2.gz JLVCENIRZQBVIT-AGIUHOORSA-N 2 1 210.365 2.201 20 0 BEADMP CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423180558 387966158 /nfs/dbraw/zinc/96/61/58/387966158.db2.gz FFIKPTSZOWRXDZ-IJLUTSLNSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)CC[N@@H+]1C ZINC000424318191 387967079 /nfs/dbraw/zinc/96/70/79/387967079.db2.gz CRHUXPWOLNFGSM-AHLTXXRQSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)CC[N@H+]1C ZINC000424318191 387967082 /nfs/dbraw/zinc/96/70/82/387967082.db2.gz CRHUXPWOLNFGSM-AHLTXXRQSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)CC(F)(F)F ZINC000423182883 387967971 /nfs/dbraw/zinc/96/79/71/387967971.db2.gz LVOSINCBDSENEB-LPEHRKFASA-N 2 1 238.297 2.163 20 0 BEADMP Cc1ccc([C@H]([NH2+]CC[NH3+])C2CCC2)cc1 ZINC000423195611 387980058 /nfs/dbraw/zinc/98/00/58/387980058.db2.gz ZQSIQJPHVCKIAU-CQSZACIVSA-N 2 1 218.344 2.385 20 0 BEADMP C[C@@H]([NH2+]CC[NH3+])[C@H](C)c1ccc(Cl)cc1 ZINC000423190174 387975440 /nfs/dbraw/zinc/97/54/40/387975440.db2.gz SBTXYYAFDGZOHH-VHSXEESVSA-N 2 1 226.751 2.380 20 0 BEADMP c1ccc(C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423191275 387975627 /nfs/dbraw/zinc/97/56/27/387975627.db2.gz OWLBUENDFMWBPH-JKSUJKDBSA-N 2 1 244.382 2.349 20 0 BEADMP C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1c[nH+]ccc1N ZINC000423191467 387976136 /nfs/dbraw/zinc/97/61/36/387976136.db2.gz SZZCQPFLHYXIIX-GIPNMCIBSA-N 2 1 243.310 2.294 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccncc1 ZINC000424334279 387978132 /nfs/dbraw/zinc/97/81/32/387978132.db2.gz NSHWKZIDDKHHMB-CYZMBNFOSA-N 2 1 219.332 2.002 20 0 BEADMP CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423192140 387978198 /nfs/dbraw/zinc/97/81/98/387978198.db2.gz PNYDHRXVCVLODA-CHWSQXEVSA-N 2 1 210.365 2.463 20 0 BEADMP CCc1cccnc1[C@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423203098 387989481 /nfs/dbraw/zinc/98/94/81/387989481.db2.gz CAQAPXMADUEHOP-STQMWFEESA-N 2 1 247.386 2.294 20 0 BEADMP C[C@H](CCCC[NH3+])[NH2+]CC1(N)CCCCCC1 ZINC000423202560 387989551 /nfs/dbraw/zinc/98/95/51/387989551.db2.gz RBJPCKIOVZNDFI-CYBMUJFWSA-N 2 1 241.423 2.145 20 0 BEADMP CCC[C@H]([NH2+]CCC[NH2+]C)c1ccccn1 ZINC000423197816 387984497 /nfs/dbraw/zinc/98/44/97/387984497.db2.gz BJBHDWRJBZFSRF-LBPRGKRZSA-N 2 1 221.348 2.122 20 0 BEADMP C[NH2+]CCC[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000423198239 387984781 /nfs/dbraw/zinc/98/47/81/387984781.db2.gz DUUAGBIUOVXUQJ-CQSZACIVSA-N 2 1 248.370 2.408 20 0 BEADMP C[NH2+]CCC[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000423199683 387985163 /nfs/dbraw/zinc/98/51/63/387985163.db2.gz KMTIRFWMQFPSJV-GFCCVEGCSA-N 2 1 236.359 2.264 20 0 BEADMP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000423200048 387986583 /nfs/dbraw/zinc/98/65/83/387986583.db2.gz LNSPFLFUSIEKTC-JTQLQIEISA-N 2 1 240.322 2.094 20 0 BEADMP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000156564293 387998105 /nfs/dbraw/zinc/99/81/05/387998105.db2.gz PAWOYKSXATUMDQ-AVGNSLFASA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156564293 387998108 /nfs/dbraw/zinc/99/81/08/387998108.db2.gz PAWOYKSXATUMDQ-AVGNSLFASA-N 2 1 212.381 2.493 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423217065 387999841 /nfs/dbraw/zinc/99/98/41/387999841.db2.gz RLRVFSRIVJMSES-ATGSNQNLSA-N 2 1 230.355 2.130 20 0 BEADMP C[C@@H](Cc1coc2ccccc12)[NH2+][C@H]1CC[NH2+]C1 ZINC000423217664 388000063 /nfs/dbraw/zinc/00/00/63/388000063.db2.gz SKLHQEVHLVDDSK-AAEUAGOBSA-N 2 1 244.338 2.315 20 0 BEADMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cc(F)ccc1F ZINC000423222231 388002398 /nfs/dbraw/zinc/00/23/98/388002398.db2.gz AHTUQAJVLLIHFU-DTWKUNHWSA-N 2 1 228.286 2.353 20 0 BEADMP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1C ZINC000424372588 387996272 /nfs/dbraw/zinc/99/62/72/387996272.db2.gz WUUQCGYXIZPCEJ-ZIAGYGMSSA-N 2 1 248.370 2.363 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CC ZINC000423240452 388024060 /nfs/dbraw/zinc/02/40/60/388024060.db2.gz GXPISTKSAPNJLK-RWMBFGLXSA-N 2 1 212.381 2.400 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000423240876 388024267 /nfs/dbraw/zinc/02/42/67/388024267.db2.gz UEMJCOUXLLSLRB-ZDUSSCGKSA-N 2 1 212.381 2.400 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000423241231 388024366 /nfs/dbraw/zinc/02/43/66/388024366.db2.gz UUKQRPFBVJTOBT-CYBMUJFWSA-N 2 1 210.365 2.154 20 0 BEADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000423231927 388016635 /nfs/dbraw/zinc/01/66/35/388016635.db2.gz HMDARNNJVIZZHM-STQMWFEESA-N 2 1 212.381 2.400 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000423231926 388016804 /nfs/dbraw/zinc/01/68/04/388016804.db2.gz HMDARNNJVIZZHM-QWHCGFSZSA-N 2 1 212.381 2.400 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000423234924 388018921 /nfs/dbraw/zinc/01/89/21/388018921.db2.gz MQSKXADAYFHGOX-DZGCQCFKSA-N 2 1 247.386 2.307 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000423236575 388021666 /nfs/dbraw/zinc/02/16/66/388021666.db2.gz OGVRIXJFZAWJEZ-YNEHKIRRSA-N 2 1 212.381 2.400 20 0 BEADMP CC[NH2+]CC[NH2+][C@H]1C[C@H](OCC(C)C)C1(C)C ZINC000423253929 388036017 /nfs/dbraw/zinc/03/60/17/388036017.db2.gz ZYRVRXJYVGDZNN-STQMWFEESA-N 2 1 242.407 2.025 20 0 BEADMP C[C@@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C1CC1 ZINC000453298033 388037938 /nfs/dbraw/zinc/03/79/38/388037938.db2.gz WUSBWJKUCHKNBM-XZUYRWCXSA-N 2 1 210.365 2.103 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCC12CCC2 ZINC000423257885 388038347 /nfs/dbraw/zinc/03/83/47/388038347.db2.gz ANAOBHKJWWCISB-VXGBXAGGSA-N 2 1 210.365 2.282 20 0 BEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)C1CC1 ZINC000423262732 388040364 /nfs/dbraw/zinc/04/03/64/388040364.db2.gz NGQIFBXODFEVKX-GWCFXTLKSA-N 2 1 210.365 2.282 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCc2c1cccc2F ZINC000423263620 388041363 /nfs/dbraw/zinc/04/13/63/388041363.db2.gz BEOLTCIFNNCGEH-ZIAGYGMSSA-N 2 1 236.334 2.386 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cccs1 ZINC000423264269 388041686 /nfs/dbraw/zinc/04/16/86/388041686.db2.gz PSELINBPAPZJCZ-NXEZZACHSA-N 2 1 212.362 2.382 20 0 BEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)C1CCSCC1 ZINC000423263475 388042236 /nfs/dbraw/zinc/04/22/36/388042236.db2.gz OKWAQBHKDGMTNQ-AAEUAGOBSA-N 2 1 244.448 2.481 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](C)C1C(C)(C)C1(C)C ZINC000423242943 388026833 /nfs/dbraw/zinc/02/68/33/388026833.db2.gz JRTMJTDOBOJRAF-SNVBAGLBSA-N 2 1 212.381 2.256 20 0 BEADMP CC[C@@H]([NH2+]C[C@H](C)C[NH2+]C)c1ccc(F)cn1 ZINC000423272858 388052737 /nfs/dbraw/zinc/05/27/37/388052737.db2.gz KCZYISFFIDPNHW-ZYHUDNBSSA-N 2 1 239.338 2.117 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CCCCC2)CCO1 ZINC000423273141 388053996 /nfs/dbraw/zinc/05/39/96/388053996.db2.gz ZXYXPIOVXDBXOJ-MRVWCRGKSA-N 2 1 240.391 2.051 20 0 BEADMP COc1cccc2c1CC[C@H]2[NH2+]C[C@H]([NH3+])C(C)C ZINC000423277447 388058114 /nfs/dbraw/zinc/05/81/14/388058114.db2.gz PPSBXRKOBQRMKY-UONOGXRCSA-N 2 1 248.370 2.255 20 0 BEADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000083701132 388058813 /nfs/dbraw/zinc/05/88/13/388058813.db2.gz IRPUNYSVHOHOHY-ZIAGYGMSSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@]1(C[N@H+]2CCCC(C)(C)CC2)CC[NH2+]C1 ZINC000083680838 388058996 /nfs/dbraw/zinc/05/89/96/388058996.db2.gz YYQRMPYZLJSMLI-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C[NH3+])C1CC1)CC2 ZINC000423277784 388059170 /nfs/dbraw/zinc/05/91/70/388059170.db2.gz OQNBEJHZZBPSSB-HUUCEWRRSA-N 2 1 230.355 2.309 20 0 BEADMP C[C@@]1(C[N@H+]2CCCC(C)(C)CC2)CC[NH2+]C1 ZINC000083680837 388059609 /nfs/dbraw/zinc/05/96/09/388059609.db2.gz YYQRMPYZLJSMLI-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423279030 388060832 /nfs/dbraw/zinc/06/08/32/388060832.db2.gz QVMNHQPCNJWLCZ-WFASDCNBSA-N 2 1 247.386 2.120 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccsc1 ZINC000423278042 388060843 /nfs/dbraw/zinc/06/08/43/388060843.db2.gz QKLWMWITFQPYDS-KOLCDFICSA-N 2 1 212.362 2.382 20 0 BEADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(OC)cc1 ZINC000423279885 388061454 /nfs/dbraw/zinc/06/14/54/388061454.db2.gz RYEYMKDODFNTCV-LSDHHAIUSA-N 2 1 248.370 2.473 20 0 BEADMP CO[C@H](C)[C@@H](C)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423279898 388061744 /nfs/dbraw/zinc/06/17/44/388061744.db2.gz RZSUGOGHLKZMHY-CHWSQXEVSA-N 2 1 242.407 2.312 20 0 BEADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C[NH3+])C1CC1 ZINC000423279912 388061888 /nfs/dbraw/zinc/06/18/88/388061888.db2.gz SBDNXNZYRQQANB-LSDHHAIUSA-N 2 1 230.355 2.309 20 0 BEADMP Cc1cccc2c1CC[C@H]2[NH2+][C@H](C[NH3+])C1CC1 ZINC000423279911 388062096 /nfs/dbraw/zinc/06/20/96/388062096.db2.gz SBDNXNZYRQQANB-HUUCEWRRSA-N 2 1 230.355 2.309 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])s1 ZINC000261527547 135152182 /nfs/dbraw/zinc/15/21/82/135152182.db2.gz COIJIQJIMNYMAB-VIFPVBQESA-N 2 1 212.362 2.444 20 0 BEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccccc1N(C)C ZINC000423282523 388065074 /nfs/dbraw/zinc/06/50/74/388065074.db2.gz VITHVKPVKWFCBX-FZMZJTMJSA-N 2 1 247.386 2.141 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000453382595 388065430 /nfs/dbraw/zinc/06/54/30/388065430.db2.gz ZGAWKLKUJCFQBH-GCPZOVCVSA-N 2 1 236.403 2.351 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)[C@@H]2CCC[C@H]21 ZINC000453382901 388065903 /nfs/dbraw/zinc/06/59/03/388065903.db2.gz LXBFBWLBWXKZJU-UVPYHEFZSA-N 2 1 248.414 2.495 20 0 BEADMP Cc1cc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])no1 ZINC000423282555 388065993 /nfs/dbraw/zinc/06/59/93/388065993.db2.gz VLHMQNUIXOYZMY-TUAOUCFPSA-N 2 1 237.347 2.151 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@@H](C[NH3+])C2CC2)[C@@H]1C ZINC000423284608 388066814 /nfs/dbraw/zinc/06/68/14/388066814.db2.gz XBMNOWDEKJABFA-AAXDQBDMSA-N 2 1 210.365 2.138 20 0 BEADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccs1 ZINC000423284851 388068369 /nfs/dbraw/zinc/06/83/69/388068369.db2.gz XGSWIJKTUAGRAO-SCZZXKLOSA-N 2 1 210.346 2.136 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C1CC1 ZINC000423285156 388068818 /nfs/dbraw/zinc/06/88/18/388068818.db2.gz XSFOWALXGCLWRK-KGLIPLIRSA-N 2 1 246.354 2.097 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)C1CC1 ZINC000423285155 388069779 /nfs/dbraw/zinc/06/97/79/388069779.db2.gz XSFOWALXGCLWRK-KBPBESRZSA-N 2 1 246.354 2.097 20 0 BEADMP COCCC[C@@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000453396490 388071105 /nfs/dbraw/zinc/07/11/05/388071105.db2.gz KRSWRDJOMIYTPZ-CYBMUJFWSA-N 2 1 242.407 2.266 20 0 BEADMP COCCC[C@@H](C)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000453396490 388071112 /nfs/dbraw/zinc/07/11/12/388071112.db2.gz KRSWRDJOMIYTPZ-CYBMUJFWSA-N 2 1 242.407 2.266 20 0 BEADMP COc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)[NH3+])CCC2 ZINC000423290210 388074044 /nfs/dbraw/zinc/07/40/44/388074044.db2.gz ZOYZEUGWVVTTIB-CQSZACIVSA-N 2 1 248.370 2.400 20 0 BEADMP Cc1nc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cs1 ZINC000084216407 388074624 /nfs/dbraw/zinc/07/46/24/388074624.db2.gz VYDAEJCUXYCEQJ-JQWIXIFHSA-N 2 1 239.388 2.059 20 0 BEADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H]1CCCO1 ZINC000453404811 388074720 /nfs/dbraw/zinc/07/47/20/388074720.db2.gz PYVSDSJOSBWNOL-TZMCWYRMSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1CCCO1 ZINC000453404809 388075366 /nfs/dbraw/zinc/07/53/66/388075366.db2.gz PYVSDSJOSBWNOL-JSGCOSHPSA-N 2 1 240.391 2.018 20 0 BEADMP c1cc2c(s1)CC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000084384479 388077317 /nfs/dbraw/zinc/07/73/17/388077317.db2.gz BDLVZPQVRPNTPG-LLVKDONJSA-N 2 1 236.384 2.106 20 0 BEADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccncc1 ZINC000423297044 388078640 /nfs/dbraw/zinc/07/86/40/388078640.db2.gz INGAPISPLBXHLZ-AAEUAGOBSA-N 2 1 221.348 2.250 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@@H](OCC)C1(C)C ZINC000423298187 388079809 /nfs/dbraw/zinc/07/98/09/388079809.db2.gz NMELIBVFCIZXQT-JHJVBQTASA-N 2 1 242.407 2.297 20 0 BEADMP C1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000036996497 388085311 /nfs/dbraw/zinc/08/53/11/388085311.db2.gz UUCHMYHNJBPUCU-CHWSQXEVSA-N 2 1 208.349 2.145 20 0 BEADMP C1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000036996497 388085315 /nfs/dbraw/zinc/08/53/15/388085315.db2.gz UUCHMYHNJBPUCU-CHWSQXEVSA-N 2 1 208.349 2.145 20 0 BEADMP C[N@@H+](CCCC[NH2+]Cc1ccccn1)C1CC1 ZINC000453590074 388087224 /nfs/dbraw/zinc/08/72/24/388087224.db2.gz AFXAEPVUWILSCC-UHFFFAOYSA-N 2 1 233.359 2.046 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453593809 388088757 /nfs/dbraw/zinc/08/87/57/388088757.db2.gz HSZOLIWMWXNPRL-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1 ZINC000086474937 388103915 /nfs/dbraw/zinc/10/39/15/388103915.db2.gz YBCNRYDJFHVTJX-UHFFFAOYSA-N 2 1 218.344 2.308 20 0 BEADMP Cc1ccc(C[N@H+](C)C2(C[NH3+])CCC2)cc1 ZINC000086474937 388103916 /nfs/dbraw/zinc/10/39/16/388103916.db2.gz YBCNRYDJFHVTJX-UHFFFAOYSA-N 2 1 218.344 2.308 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC1(C)C ZINC000086874667 388110297 /nfs/dbraw/zinc/11/02/97/388110297.db2.gz YADGPPIVFATAKF-GFCCVEGCSA-N 2 1 221.348 2.360 20 0 BEADMP [NH3+]C[C@H]([NH2+]C1CCc2ccccc2CC1)C1CC1 ZINC000423267219 388045355 /nfs/dbraw/zinc/04/53/55/388045355.db2.gz CLRHILFPEIEEDU-INIZCTEOSA-N 2 1 244.382 2.261 20 0 BEADMP Cc1cc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cs1 ZINC000423267641 388045979 /nfs/dbraw/zinc/04/59/79/388045979.db2.gz CZMSXOCEUCFUKJ-BXKDBHETSA-N 2 1 224.373 2.444 20 0 BEADMP Cc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cs1 ZINC000423267644 388046114 /nfs/dbraw/zinc/04/61/14/388046114.db2.gz CZMSXOCEUCFUKJ-SKDRFNHKSA-N 2 1 224.373 2.444 20 0 BEADMP COCCC[C@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423267583 388046137 /nfs/dbraw/zinc/04/61/37/388046137.db2.gz UBFBJIAALPKEFM-GXTWGEPZSA-N 2 1 242.407 2.299 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@H]1CCc2ccccc21)C1CC1 ZINC000423266724 388046265 /nfs/dbraw/zinc/04/62/65/388046265.db2.gz CCTWOCXIUKEELU-KBPBESRZSA-N 2 1 216.328 2.001 20 0 BEADMP COCCC[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423267584 388046348 /nfs/dbraw/zinc/04/63/48/388046348.db2.gz UBFBJIAALPKEFM-JSGCOSHPSA-N 2 1 242.407 2.299 20 0 BEADMP COc1cccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000423269283 388047534 /nfs/dbraw/zinc/04/75/34/388047534.db2.gz VWWJWDQUGODBCT-BXUZGUMPSA-N 2 1 236.359 2.329 20 0 BEADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CC(C(C)C)C1 ZINC000423268256 388047954 /nfs/dbraw/zinc/04/79/54/388047954.db2.gz UQGNPYWLZPOCOZ-BPCQOVAHSA-N 2 1 212.381 2.384 20 0 BEADMP CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccncc1 ZINC000423270434 388050031 /nfs/dbraw/zinc/05/00/31/388050031.db2.gz WRKAFYDIPWJRKU-KBPBESRZSA-N 2 1 235.375 2.496 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)s1 ZINC000423271994 388050562 /nfs/dbraw/zinc/05/05/62/388050562.db2.gz HTNKCFALGKBOMX-MWLCHTKSSA-N 2 1 224.373 2.444 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CSC[C@H]1C ZINC000449071772 388138679 /nfs/dbraw/zinc/13/86/79/388138679.db2.gz IINHOPNZBYHKIL-IJLUTSLNSA-N 2 1 230.421 2.058 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CSC[C@H]1C ZINC000449071775 388139297 /nfs/dbraw/zinc/13/92/97/388139297.db2.gz IINHOPNZBYHKIL-UTUOFQBUSA-N 2 1 230.421 2.058 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CSC[C@H]2C)C1 ZINC000449095306 388141382 /nfs/dbraw/zinc/14/13/82/388141382.db2.gz XQSKYQIGFNPCGJ-UPJWGTAASA-N 2 1 242.432 2.059 20 0 BEADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc2cccnc2o1 ZINC000449109908 388143943 /nfs/dbraw/zinc/14/39/43/388143943.db2.gz ZLDKABPSZVXMBF-NSHDSACASA-N 2 1 247.342 2.258 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H]1CC[C@H](C)C1 ZINC000165123367 388251144 /nfs/dbraw/zinc/25/11/44/388251144.db2.gz UTWGXNNTVBHEKZ-STQMWFEESA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CC[C@H](C)C1 ZINC000165123367 388251146 /nfs/dbraw/zinc/25/11/46/388251146.db2.gz UTWGXNNTVBHEKZ-STQMWFEESA-N 2 1 212.381 2.497 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000164657937 388242494 /nfs/dbraw/zinc/24/24/94/388242494.db2.gz JFLMCKHONSKUBU-RWMBFGLXSA-N 2 1 212.381 2.339 20 0 BEADMP CCOc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000233793530 388349436 /nfs/dbraw/zinc/34/94/36/388349436.db2.gz RNVVFMZGUKICAD-QWRGUYRKSA-N 2 1 222.332 2.083 20 0 BEADMP CC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccc(OC)cc1 ZINC000233892559 388350225 /nfs/dbraw/zinc/35/02/25/388350225.db2.gz WLJSXSVOYRHCFJ-ZWNOBZJWSA-N 2 1 222.332 2.083 20 0 BEADMP CCc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000234140998 388353071 /nfs/dbraw/zinc/35/30/71/388353071.db2.gz HAKBCHGYNQZWCQ-GHMZBOCLSA-N 2 1 206.333 2.247 20 0 BEADMP CCc1ccc([C@H](C)[NH2+][C@@H](C)CN)cc1 ZINC000234115416 388353605 /nfs/dbraw/zinc/35/36/05/388353605.db2.gz HAKBCHGYNQZWCQ-QWRGUYRKSA-N 2 1 206.333 2.247 20 0 BEADMP CCc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000234115416 388353608 /nfs/dbraw/zinc/35/36/08/388353608.db2.gz HAKBCHGYNQZWCQ-QWRGUYRKSA-N 2 1 206.333 2.247 20 0 BEADMP CSc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000235120821 388364871 /nfs/dbraw/zinc/36/48/71/388364871.db2.gz WJIDEEUXEXZHCD-UWVGGRQHSA-N 2 1 224.373 2.406 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCc2sccc21 ZINC000235100462 388365283 /nfs/dbraw/zinc/36/52/83/388365283.db2.gz IQXVDKIYPZXEMJ-WPRPVWTQSA-N 2 1 210.346 2.062 20 0 BEADMP Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)CN)c1 ZINC000235144703 388365597 /nfs/dbraw/zinc/36/55/97/388365597.db2.gz BIDNQRTZHAOUQH-RYUDHWBXSA-N 2 1 206.333 2.301 20 0 BEADMP Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)C[NH3+])c1 ZINC000235144703 388365599 /nfs/dbraw/zinc/36/55/99/388365599.db2.gz BIDNQRTZHAOUQH-RYUDHWBXSA-N 2 1 206.333 2.301 20 0 BEADMP C[C@H](CN)[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000235462409 388369902 /nfs/dbraw/zinc/36/99/02/388369902.db2.gz UGZPMINODIKVSA-RKDXNWHRSA-N 2 1 244.285 2.286 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000235462409 388369904 /nfs/dbraw/zinc/36/99/04/388369904.db2.gz UGZPMINODIKVSA-RKDXNWHRSA-N 2 1 244.285 2.286 20 0 BEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000300799601 388394614 /nfs/dbraw/zinc/39/46/14/388394614.db2.gz CTRMBHOSIKMXJO-OUAUKWLOSA-N 2 1 232.318 2.091 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000300997287 388397329 /nfs/dbraw/zinc/39/73/29/388397329.db2.gz VDJCDQGINXPJSY-WDEREUQCSA-N 2 1 232.318 2.106 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000300997287 388397332 /nfs/dbraw/zinc/39/73/32/388397332.db2.gz VDJCDQGINXPJSY-WDEREUQCSA-N 2 1 232.318 2.106 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000300997279 388397843 /nfs/dbraw/zinc/39/78/43/388397843.db2.gz VDJCDQGINXPJSY-MNOVXSKESA-N 2 1 232.318 2.106 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000300997279 388397845 /nfs/dbraw/zinc/39/78/45/388397845.db2.gz VDJCDQGINXPJSY-MNOVXSKESA-N 2 1 232.318 2.106 20 0 BEADMP CCC(C)(C)OCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000308550698 388442537 /nfs/dbraw/zinc/44/25/37/388442537.db2.gz WONAKGMROFODTE-STQMWFEESA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@@H](C)C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308614392 388445056 /nfs/dbraw/zinc/44/50/56/388445056.db2.gz MXBMCIHFTCAYLY-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCc1ccncc1 ZINC000308634312 388446296 /nfs/dbraw/zinc/44/62/96/388446296.db2.gz LNFYSTQSOHPVNY-UHFFFAOYSA-N 2 1 247.386 2.088 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCCCCF ZINC000336674026 388461306 /nfs/dbraw/zinc/46/13/06/388461306.db2.gz GYPLAGBCPJIJTE-NWDGAFQWSA-N 2 1 216.344 2.328 20 0 BEADMP C[C@@H]1CC([NH2+][C@@H]2CCC[NH2+]C2)C[C@@H](C)C1 ZINC000082834914 256748266 /nfs/dbraw/zinc/74/82/66/256748266.db2.gz WJKHEONFQBJHMO-SDDRHHMPSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]([NH2+]CCF)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000336731409 388471500 /nfs/dbraw/zinc/47/15/00/388471500.db2.gz FHXVKXBPYJPLGX-NEPJUHHUSA-N 2 1 228.355 2.199 20 0 BEADMP C[C@@H]([NH2+]CCF)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000336731409 388471502 /nfs/dbraw/zinc/47/15/02/388471502.db2.gz FHXVKXBPYJPLGX-NEPJUHHUSA-N 2 1 228.355 2.199 20 0 BEADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000166648379 388429896 /nfs/dbraw/zinc/42/98/96/388429896.db2.gz SYXDLIYCVKIPGB-XBFCOCLRSA-N 2 1 224.392 2.495 20 0 BEADMP CCC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)OC ZINC000356333486 388547844 /nfs/dbraw/zinc/54/78/44/388547844.db2.gz LDCBHIKUWFPZAU-IGQOVBAYSA-N 2 1 242.407 2.120 20 0 BEADMP F[C@@H]1CCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340529474 388493105 /nfs/dbraw/zinc/49/31/05/388493105.db2.gz JVIAENNPGYMVAX-RVMXOQNASA-N 2 1 226.339 2.093 20 0 BEADMP F[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340529474 388493108 /nfs/dbraw/zinc/49/31/08/388493108.db2.gz JVIAENNPGYMVAX-RVMXOQNASA-N 2 1 226.339 2.093 20 0 BEADMP F[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340529474 388493111 /nfs/dbraw/zinc/49/31/11/388493111.db2.gz JVIAENNPGYMVAX-RVMXOQNASA-N 2 1 226.339 2.093 20 0 BEADMP C1[C@@H]2C[C@@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C[C@H]12 ZINC000397749360 388496394 /nfs/dbraw/zinc/49/63/94/388496394.db2.gz OQNQRWGVYOPSGC-XVIXHAIJSA-N 2 1 220.360 2.001 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCC(C)(C)C1CC1 ZINC000405983535 388497119 /nfs/dbraw/zinc/49/71/19/388497119.db2.gz BJERUDWDKUNUDD-ZYHUDNBSSA-N 2 1 210.365 2.234 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCC(C)(C)C1CC1 ZINC000405983535 388497120 /nfs/dbraw/zinc/49/71/20/388497120.db2.gz BJERUDWDKUNUDD-ZYHUDNBSSA-N 2 1 210.365 2.234 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CS1 ZINC000397796016 388499759 /nfs/dbraw/zinc/49/97/59/388499759.db2.gz ANLLFKJMHIAKMH-NJMOYASZSA-N 2 1 242.432 2.199 20 0 BEADMP Cc1cc(C[NH2+]CC(C)(C)[NH3+])c(C)s1 ZINC000516855181 388520993 /nfs/dbraw/zinc/52/09/93/388520993.db2.gz GPSZNJAZWYAMLL-UHFFFAOYSA-N 2 1 212.362 2.192 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+]CCc2c[nH+]cn2C)[C@H]1C ZINC000347772789 388523794 /nfs/dbraw/zinc/52/37/94/388523794.db2.gz JWRRCZOZYWFEAG-DYEKYZERSA-N 2 1 235.375 2.377 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCCCO1 ZINC000356696462 388550852 /nfs/dbraw/zinc/55/08/52/388550852.db2.gz MGBXYPRLHQEAEB-FQUUOJAGSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCCCO1 ZINC000356696462 388550855 /nfs/dbraw/zinc/55/08/55/388550855.db2.gz MGBXYPRLHQEAEB-FQUUOJAGSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@]1(C)CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359192481 388555870 /nfs/dbraw/zinc/55/58/70/388555870.db2.gz PKWHINSKKVKAIA-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000548859834 388565829 /nfs/dbraw/zinc/56/58/29/388565829.db2.gz QZYOHWGSSHZEKD-IACUBPJLSA-N 2 1 233.359 2.131 20 0 BEADMP CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367621441 388566194 /nfs/dbraw/zinc/56/61/94/388566194.db2.gz SXDORDIQVCYDBG-UPJWGTAASA-N 2 1 210.365 2.249 20 0 BEADMP CC1=CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000552117516 388670402 /nfs/dbraw/zinc/67/04/02/388670402.db2.gz PPZPIWQILHKFIS-KBPBESRZSA-N 2 1 222.376 2.417 20 0 BEADMP CC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248374786 388677297 /nfs/dbraw/zinc/67/72/97/388677297.db2.gz UCQYOHNOAKDWQR-AVGNSLFASA-N 2 1 210.365 2.201 20 0 BEADMP CC[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248374786 388677299 /nfs/dbraw/zinc/67/72/99/388677299.db2.gz UCQYOHNOAKDWQR-AVGNSLFASA-N 2 1 210.365 2.201 20 0 BEADMP CC[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248374786 388677301 /nfs/dbraw/zinc/67/73/01/388677301.db2.gz UCQYOHNOAKDWQR-AVGNSLFASA-N 2 1 210.365 2.201 20 0 BEADMP CC1(C)CC(C[N@H+]2CCC[C@@H](C[NH3+])C2)C1 ZINC000530213047 388627757 /nfs/dbraw/zinc/62/77/57/388627757.db2.gz UGYLJVIGPUNHIN-NSHDSACASA-N 2 1 210.365 2.093 20 0 BEADMP CC1(C)CC(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000530217094 388630889 /nfs/dbraw/zinc/63/08/89/388630889.db2.gz FIGDJMSYWHYERA-MELADBBJSA-N 2 1 236.403 2.482 20 0 BEADMP C[C@@H]1CC(F)(F)CC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000530233636 388637279 /nfs/dbraw/zinc/63/72/79/388637279.db2.gz ZJKAFZUQXFLUQI-GHMZBOCLSA-N 2 1 232.318 2.106 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1C ZINC000261554950 388649219 /nfs/dbraw/zinc/64/92/19/388649219.db2.gz BDBBDAJZYOYZMX-OAHLLOKOSA-N 2 1 248.370 2.174 20 0 BEADMP CCOCCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000246871928 388654026 /nfs/dbraw/zinc/65/40/26/388654026.db2.gz DMWNNKBDYCGZJE-MGPQQGTHSA-N 2 1 242.407 2.121 20 0 BEADMP COCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000247030583 388657328 /nfs/dbraw/zinc/65/73/28/388657328.db2.gz NOLJLDROLZGZEV-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP CCc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cn1 ZINC000552013567 388658997 /nfs/dbraw/zinc/65/89/97/388658997.db2.gz GNCCCXFYMAYMTO-CQSZACIVSA-N 2 1 247.386 2.075 20 0 BEADMP CCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000552013567 388658999 /nfs/dbraw/zinc/65/89/99/388658999.db2.gz GNCCCXFYMAYMTO-CQSZACIVSA-N 2 1 247.386 2.075 20 0 BEADMP CC[C@@H](C)[NH+](C)CCOCC[N@H+](C)[C@H](C)CC ZINC000247177812 388659868 /nfs/dbraw/zinc/65/98/68/388659868.db2.gz VRNHFRHCOCSYRN-ZIAGYGMSSA-N 2 1 244.423 2.464 20 0 BEADMP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251214396 388745732 /nfs/dbraw/zinc/74/57/32/388745732.db2.gz NCHMNIFHVAOTIW-BNOWGMLFSA-N 2 1 222.376 2.391 20 0 BEADMP COC[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)C(C)C ZINC000086700187 388691035 /nfs/dbraw/zinc/69/10/35/388691035.db2.gz IBXWHIZYGKGFTE-KGLIPLIRSA-N 2 1 242.407 2.121 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCC2CC2)C1 ZINC000248975924 388702338 /nfs/dbraw/zinc/70/23/38/388702338.db2.gz HRAVQMJECHFJET-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP CCOC(C)(C)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000249207533 388712631 /nfs/dbraw/zinc/71/26/31/388712631.db2.gz WUJZZZZPBOTJEM-QWHCGFSZSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCCCC1 ZINC000252709662 388773409 /nfs/dbraw/zinc/77/34/09/388773409.db2.gz DLLBGMZBBXMCQZ-DGCLKSJQSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCCCC1 ZINC000252709662 388773414 /nfs/dbraw/zinc/77/34/14/388773414.db2.gz DLLBGMZBBXMCQZ-DGCLKSJQSA-N 2 1 210.365 2.249 20 0 BEADMP CCSCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000228809518 388774423 /nfs/dbraw/zinc/77/44/23/388774423.db2.gz UUSDBDCPOYMSRM-RYUDHWBXSA-N 2 1 230.421 2.202 20 0 BEADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000252715512 388775268 /nfs/dbraw/zinc/77/52/68/388775268.db2.gz VVHQPKDXKBUNBW-DMDPSCGWSA-N 2 1 212.381 2.351 20 0 BEADMP Cc1ccc(CC[NH2+][C@H](C)c2c[nH+]ccc2N)o1 ZINC000564825490 388891900 /nfs/dbraw/zinc/89/19/00/388891900.db2.gz LPSUJDLOFJKADD-LLVKDONJSA-N 2 1 245.326 2.289 20 0 BEADMP COCC[C@H](C)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000152687398 388874343 /nfs/dbraw/zinc/87/43/43/388874343.db2.gz RYPBJFRRCYVVIV-ZDUSSCGKSA-N 2 1 242.407 2.266 20 0 BEADMP CCc1ccc(C[NH2+]C2CC(N(C)C)C2)cc1 ZINC000565217954 388926643 /nfs/dbraw/zinc/92/66/43/388926643.db2.gz KRKRABASUXYGHQ-UHFFFAOYSA-N 2 1 232.371 2.431 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC23CC3)CC[N@@H+]1C ZINC000565242197 388931368 /nfs/dbraw/zinc/93/13/68/388931368.db2.gz CMTPTHPKVIRNEC-FRRDWIJNSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC23CC3)CC[N@H+]1C ZINC000565242197 388931371 /nfs/dbraw/zinc/93/13/71/388931371.db2.gz CMTPTHPKVIRNEC-FRRDWIJNSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1nccs1 ZINC000271900543 389025177 /nfs/dbraw/zinc/02/51/77/389025177.db2.gz VMQXWPZBSXVRDN-SNVBAGLBSA-N 2 1 237.372 2.056 20 0 BEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1nccs1 ZINC000271900543 389025181 /nfs/dbraw/zinc/02/51/81/389025181.db2.gz VMQXWPZBSXVRDN-SNVBAGLBSA-N 2 1 237.372 2.056 20 0 BEADMP Cc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1F ZINC000271819308 389026111 /nfs/dbraw/zinc/02/61/11/389026111.db2.gz MNRRSKJXFRZMMI-UHFFFAOYSA-N 2 1 248.345 2.486 20 0 BEADMP C[C@@H]([NH2+]CCCOc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400535495 533387414 /nfs/dbraw/zinc/38/74/14/533387414.db2.gz TURPPNSMMLATKA-HIFRSBDPSA-N 2 1 248.370 2.186 20 0 BEADMP C[C@@H]([NH2+]CCc1ccsc1)[C@H]1CCC[NH2+]1 ZINC000400495592 533404940 /nfs/dbraw/zinc/40/49/40/533404940.db2.gz FSGSIHGVLZJVQP-ZYHUDNBSSA-N 2 1 224.373 2.021 20 0 BEADMP C[C@@H]1CCSCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000335938086 134013043 /nfs/dbraw/zinc/01/30/43/134013043.db2.gz OAFKSKFMSOHTBF-OLZOCXBDSA-N 2 1 242.432 2.298 20 0 BEADMP C[C@@H]1CCSCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000335938086 134013044 /nfs/dbraw/zinc/01/30/44/134013044.db2.gz OAFKSKFMSOHTBF-OLZOCXBDSA-N 2 1 242.432 2.298 20 0 BEADMP C[C@H](F)CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000352014827 134035983 /nfs/dbraw/zinc/03/59/83/134035983.db2.gz OBEWWRYUROLAGB-TUAOUCFPSA-N 2 1 216.344 2.149 20 0 BEADMP C[C@H](F)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000352014827 134035984 /nfs/dbraw/zinc/03/59/84/134035984.db2.gz OBEWWRYUROLAGB-TUAOUCFPSA-N 2 1 216.344 2.149 20 0 BEADMP C[C@H](F)CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000352014827 134035985 /nfs/dbraw/zinc/03/59/85/134035985.db2.gz OBEWWRYUROLAGB-TUAOUCFPSA-N 2 1 216.344 2.149 20 0 BEADMP C[C@H](F)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000352014827 134035986 /nfs/dbraw/zinc/03/59/86/134035986.db2.gz OBEWWRYUROLAGB-TUAOUCFPSA-N 2 1 216.344 2.149 20 0 BEADMP C[C@@H]1C[C@H]([NH+](C)CCCCF)CC[N@@H+]1C ZINC000352015365 134036191 /nfs/dbraw/zinc/03/61/91/134036191.db2.gz PXRCXDWTAZDZSS-VXGBXAGGSA-N 2 1 216.344 2.151 20 0 BEADMP C[C@@H]1C[C@H]([NH+](C)CCCCF)CC[N@H+]1C ZINC000352015365 134036192 /nfs/dbraw/zinc/03/61/92/134036192.db2.gz PXRCXDWTAZDZSS-VXGBXAGGSA-N 2 1 216.344 2.151 20 0 BEADMP C[C@@H]1C[C@H]([N@H+](C)CCCCF)CC[NH+]1C ZINC000352015365 134036193 /nfs/dbraw/zinc/03/61/93/134036193.db2.gz PXRCXDWTAZDZSS-VXGBXAGGSA-N 2 1 216.344 2.151 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+](C)CCCCF)CC[NH+]1C ZINC000352015365 134036194 /nfs/dbraw/zinc/03/61/94/134036194.db2.gz PXRCXDWTAZDZSS-VXGBXAGGSA-N 2 1 216.344 2.151 20 0 BEADMP C[C@@H](F)CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000352050002 134046186 /nfs/dbraw/zinc/04/61/86/134046186.db2.gz PHZKIIJNTKAAHR-NEPJUHHUSA-N 2 1 216.344 2.008 20 0 BEADMP C[C@@H](F)CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000352050002 134046187 /nfs/dbraw/zinc/04/61/87/134046187.db2.gz PHZKIIJNTKAAHR-NEPJUHHUSA-N 2 1 216.344 2.008 20 0 BEADMP C[C@@H](F)CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000352050002 134046188 /nfs/dbraw/zinc/04/61/88/134046188.db2.gz PHZKIIJNTKAAHR-NEPJUHHUSA-N 2 1 216.344 2.008 20 0 BEADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1CCC13CCC3)C2 ZINC000336003073 134048147 /nfs/dbraw/zinc/04/81/47/134048147.db2.gz OTIDYXKKXMOUKO-MFKMUULPSA-N 2 1 231.343 2.189 20 0 BEADMP C[C@@H](F)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000352051355 134048198 /nfs/dbraw/zinc/04/81/98/134048198.db2.gz ZJQXEEBMTKIPAA-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[N@H+]1CC[C@@]2(CC[NH+](CC3CCCC3)C2)C1 ZINC000336125088 134092601 /nfs/dbraw/zinc/09/26/01/134092601.db2.gz ZUDGLIKITDRSEW-CQSZACIVSA-N 2 1 222.376 2.204 20 0 BEADMP Cc1nocc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000336131219 134094502 /nfs/dbraw/zinc/09/45/02/134094502.db2.gz FKPBRFSIOOYWTM-AGUYFDCRSA-N 2 1 249.358 2.088 20 0 BEADMP CCCCC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000173891673 134278542 /nfs/dbraw/zinc/27/85/42/134278542.db2.gz FFTXQXQPLMJDOY-ZDUSSCGKSA-N 2 1 212.381 2.450 20 0 BEADMP CCCCC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000173891673 134278543 /nfs/dbraw/zinc/27/85/43/134278543.db2.gz FFTXQXQPLMJDOY-ZDUSSCGKSA-N 2 1 212.381 2.450 20 0 BEADMP CCCCC[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000173891673 134278544 /nfs/dbraw/zinc/27/85/44/134278544.db2.gz FFTXQXQPLMJDOY-ZDUSSCGKSA-N 2 1 212.381 2.450 20 0 BEADMP C[C@H](CC[NH3+])[NH2+]Cc1cc(Cl)ccc1F ZINC000220529558 134309885 /nfs/dbraw/zinc/30/98/85/134309885.db2.gz OUYYRRXDIWGWDN-MRVPVSSYSA-N 2 1 230.714 2.306 20 0 BEADMP CCC[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178975661 134314055 /nfs/dbraw/zinc/31/40/55/134314055.db2.gz MIBSUYYMMUNVBV-CYBMUJFWSA-N 2 1 224.392 2.498 20 0 BEADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C1CCCC1 ZINC000179239182 134318757 /nfs/dbraw/zinc/31/87/57/134318757.db2.gz IXKUXYOQJOSOBO-CYBMUJFWSA-N 2 1 210.365 2.345 20 0 BEADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000179239182 134318758 /nfs/dbraw/zinc/31/87/58/134318758.db2.gz IXKUXYOQJOSOBO-CYBMUJFWSA-N 2 1 210.365 2.345 20 0 BEADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC000179239182 134318759 /nfs/dbraw/zinc/31/87/59/134318759.db2.gz IXKUXYOQJOSOBO-CYBMUJFWSA-N 2 1 210.365 2.345 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000179884865 134325152 /nfs/dbraw/zinc/32/51/52/134325152.db2.gz UTBFORRTNZPADB-CYBMUJFWSA-N 2 1 212.381 2.306 20 0 BEADMP Cc1cncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000222600196 134332703 /nfs/dbraw/zinc/33/27/03/134332703.db2.gz BKDCLXRKXXWSNM-HUUCEWRRSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1cncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000222600196 134332704 /nfs/dbraw/zinc/33/27/04/134332704.db2.gz BKDCLXRKXXWSNM-HUUCEWRRSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1cncc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000181842487 134339973 /nfs/dbraw/zinc/33/99/73/134339973.db2.gz UKGNIQBFDWHJAB-YDHLFZDLSA-N 2 1 247.386 2.208 20 0 BEADMP Cc1cncc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000181842487 134339974 /nfs/dbraw/zinc/33/99/74/134339974.db2.gz UKGNIQBFDWHJAB-YDHLFZDLSA-N 2 1 247.386 2.208 20 0 BEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cncc(C)c2)[C@H](C)C1 ZINC000181830314 134340150 /nfs/dbraw/zinc/34/01/50/134340150.db2.gz WAFVRMLEVLBYAQ-UKRRQHHQSA-N 2 1 247.386 2.210 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cncc(C)c2)[C@H](C)C1 ZINC000181830314 134340151 /nfs/dbraw/zinc/34/01/51/134340151.db2.gz WAFVRMLEVLBYAQ-UKRRQHHQSA-N 2 1 247.386 2.210 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(F)(F)F)[C@@H](C)C1 ZINC000224510912 134348680 /nfs/dbraw/zinc/34/86/80/134348680.db2.gz YUTKJCWMDZNYID-VHSXEESVSA-N 2 1 238.297 2.259 20 0 BEADMP CS[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000226323791 134360552 /nfs/dbraw/zinc/36/05/52/134360552.db2.gz XQFAGWLHJYCZSJ-STQMWFEESA-N 2 1 242.432 2.344 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC000226420552 134365723 /nfs/dbraw/zinc/36/57/23/134365723.db2.gz GTZAVXMUPXISKN-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP Cc1[nH+]ccn1CCCN(C)c1cc[nH+]cc1C ZINC000192707137 134587891 /nfs/dbraw/zinc/58/78/91/134587891.db2.gz IALMYHVZUXIGSB-UHFFFAOYSA-N 2 1 244.342 2.421 20 0 BEADMP C1CC1C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000130152631 134616760 /nfs/dbraw/zinc/61/67/60/134616760.db2.gz WPRNTUTZTOAJER-ZIAGYGMSSA-N 2 1 234.387 2.391 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cncc(C)c2)C1 ZINC000248754032 135020686 /nfs/dbraw/zinc/02/06/86/135020686.db2.gz UQXLZRBTYBDKIQ-ZIAGYGMSSA-N 2 1 247.386 2.382 20 0 BEADMP Cc1c[nH+]ccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250877256 135060560 /nfs/dbraw/zinc/06/05/60/135060560.db2.gz QREUCTWCOMPDIR-OLZOCXBDSA-N 2 1 231.343 2.429 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000251874046 135080028 /nfs/dbraw/zinc/08/00/28/135080028.db2.gz QSPKIPKQDPKCGA-XQHKEYJVSA-N 2 1 210.365 2.153 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)C(C)C ZINC000251895915 135080130 /nfs/dbraw/zinc/08/01/30/135080130.db2.gz PIVKTFBXIKPZKL-NWDGAFQWSA-N 2 1 200.370 2.351 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)C(C)C ZINC000251895915 135080131 /nfs/dbraw/zinc/08/01/31/135080131.db2.gz PIVKTFBXIKPZKL-NWDGAFQWSA-N 2 1 200.370 2.351 20 0 BEADMP CC[C@@H](C)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000246182599 135082509 /nfs/dbraw/zinc/08/25/09/135082509.db2.gz HDNZWWZZVXWBII-OLZOCXBDSA-N 2 1 212.381 2.306 20 0 BEADMP CC[C@@H](C)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000246182599 135082510 /nfs/dbraw/zinc/08/25/10/135082510.db2.gz HDNZWWZZVXWBII-OLZOCXBDSA-N 2 1 212.381 2.306 20 0 BEADMP CC[C@@H](C)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000246182599 135082512 /nfs/dbraw/zinc/08/25/12/135082512.db2.gz HDNZWWZZVXWBII-OLZOCXBDSA-N 2 1 212.381 2.306 20 0 BEADMP C[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000246575503 135083582 /nfs/dbraw/zinc/08/35/82/135083582.db2.gz CEFHIKARRVAVCP-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000246575503 135083584 /nfs/dbraw/zinc/08/35/84/135083584.db2.gz CEFHIKARRVAVCP-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000246575503 135083586 /nfs/dbraw/zinc/08/35/86/135083586.db2.gz CEFHIKARRVAVCP-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP C1C[N@@H+]2CCCC[C@@H]2[C@H]1[NH2+]C1CCSCC1 ZINC000252393353 135087519 /nfs/dbraw/zinc/08/75/19/135087519.db2.gz ZEYQMBAQXSVVBQ-QWHCGFSZSA-N 2 1 240.416 2.098 20 0 BEADMP C1C[N@H+]2CCCC[C@@H]2[C@H]1[NH2+]C1CCSCC1 ZINC000252393353 135087520 /nfs/dbraw/zinc/08/75/20/135087520.db2.gz ZEYQMBAQXSVVBQ-QWHCGFSZSA-N 2 1 240.416 2.098 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CC(C)C)C1 ZINC000252439442 135088746 /nfs/dbraw/zinc/08/87/46/135088746.db2.gz ORTXDMHKCCWORW-CHWSQXEVSA-N 2 1 212.381 2.352 20 0 BEADMP CCCC[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252541712 135092310 /nfs/dbraw/zinc/09/23/10/135092310.db2.gz FCBXEHQVCGBHFV-IHRRRGAJSA-N 2 1 240.391 2.018 20 0 BEADMP CCCC[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252541712 135092311 /nfs/dbraw/zinc/09/23/11/135092311.db2.gz FCBXEHQVCGBHFV-IHRRRGAJSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000252513103 135092826 /nfs/dbraw/zinc/09/28/26/135092826.db2.gz KJSPOLHLNADXMV-VOAKCMCISA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000252513103 135092829 /nfs/dbraw/zinc/09/28/29/135092829.db2.gz KJSPOLHLNADXMV-VOAKCMCISA-N 2 1 210.365 2.247 20 0 BEADMP [NH3+]C[C@@H]1CCCCN1c1cc[nH+]cc1Cl ZINC000086839766 135097813 /nfs/dbraw/zinc/09/78/13/135097813.db2.gz ZWUKLLZTJCXDBN-VIFPVBQESA-N 2 1 225.723 2.053 20 0 BEADMP Clc1c[nH+]ccc1NCC[C@@H]1CC[NH2+]C1 ZINC000086839929 135097892 /nfs/dbraw/zinc/09/78/92/135097892.db2.gz NXPSERBTYQOUHI-VIFPVBQESA-N 2 1 225.723 2.147 20 0 BEADMP CC(C)CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252672695 135108216 /nfs/dbraw/zinc/10/82/16/135108216.db2.gz CFDIWLMPNAIRDQ-STQMWFEESA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)CCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252861906 135113970 /nfs/dbraw/zinc/11/39/70/135113970.db2.gz NSIDJBWTQFTMLK-MELADBBJSA-N 2 1 224.392 2.482 20 0 BEADMP Cc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc[nH+]1 ZINC000252952353 135117930 /nfs/dbraw/zinc/11/79/30/135117930.db2.gz POBXYQPNWNRYIN-KBPBESRZSA-N 2 1 231.343 2.429 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000253181246 135123025 /nfs/dbraw/zinc/12/30/25/135123025.db2.gz FEBDUFSVLGLESC-DGCLKSJQSA-N 2 1 236.334 2.242 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000253278761 135125567 /nfs/dbraw/zinc/12/55/67/135125567.db2.gz JSPHJAIIQVNIML-WSOGJNRSSA-N 2 1 222.376 2.390 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c(C)c1 ZINC000258769533 135134005 /nfs/dbraw/zinc/13/40/05/135134005.db2.gz AZWOYXUAUQZFNZ-KGLIPLIRSA-N 2 1 218.344 2.273 20 0 BEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000258892664 135135019 /nfs/dbraw/zinc/13/50/19/135135019.db2.gz HDWRHXMKVZCLEE-DTWKUNHWSA-N 2 1 230.764 2.371 20 0 BEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257690569 135139168 /nfs/dbraw/zinc/13/91/68/135139168.db2.gz JBACJOGWDMWQSV-HIFRSBDPSA-N 2 1 230.355 2.433 20 0 BEADMP C(C1CCCC1)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000257686827 135139440 /nfs/dbraw/zinc/13/94/40/135139440.db2.gz MLALDHNTQRQGGS-ZDUSSCGKSA-N 2 1 208.349 2.005 20 0 BEADMP C[NH2+]CCC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000087472349 135143226 /nfs/dbraw/zinc/14/32/26/135143226.db2.gz BEDZJUMIMPSVBS-CQSZACIVSA-N 2 1 218.344 2.215 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000261530063 135157237 /nfs/dbraw/zinc/15/72/37/135157237.db2.gz BVHUYVIEEDFQMW-GRYCIOLGSA-N 2 1 210.365 2.010 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCCc2sccc21)[C@H](C)[NH3+] ZINC000261531311 135159713 /nfs/dbraw/zinc/15/97/13/135159713.db2.gz GBNNAFHQECLJLL-IQJOONFLSA-N 2 1 224.373 2.451 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCCc2sccc21)[C@H](C)[NH3+] ZINC000261531312 135160157 /nfs/dbraw/zinc/16/01/57/135160157.db2.gz GBNNAFHQECLJLL-NGZCFLSTSA-N 2 1 224.373 2.451 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCC1CCCCC1 ZINC000261531376 135160169 /nfs/dbraw/zinc/16/01/69/135160169.db2.gz GGRUVJQKOKAWRU-DGCLKSJQSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000261531337 135160283 /nfs/dbraw/zinc/16/02/83/135160283.db2.gz GDUQVBUYTYSRJG-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP C[N@H+](Cc1cccc(Cl)c1)C1CC([NH3+])C1 ZINC000087653301 135160881 /nfs/dbraw/zinc/16/08/81/135160881.db2.gz AIFQWXBULQWZFX-UHFFFAOYSA-N 2 1 224.735 2.262 20 0 BEADMP C[N@@H+](Cc1cccc(Cl)c1)C1CC([NH3+])C1 ZINC000087653301 135160882 /nfs/dbraw/zinc/16/08/82/135160882.db2.gz AIFQWXBULQWZFX-UHFFFAOYSA-N 2 1 224.735 2.262 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CCC(C)CC2)C[C@H]1[NH3+] ZINC000261531873 135161496 /nfs/dbraw/zinc/16/14/96/135161496.db2.gz IDYCQYCDURYUMF-POOIEITISA-N 2 1 210.365 2.092 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[C@@H](C)C2)C[C@H]1[NH3+] ZINC000261531839 135161531 /nfs/dbraw/zinc/16/15/31/135161531.db2.gz IALMBPNPHJGOON-FVCCEPFGSA-N 2 1 210.365 2.092 20 0 BEADMP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H](C)[NH3+] ZINC000261531832 135161550 /nfs/dbraw/zinc/16/15/50/135161550.db2.gz HZLQKGPPCCUSRT-VXGBXAGGSA-N 2 1 206.333 2.335 20 0 BEADMP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H](C)[NH3+] ZINC000261531832 135161551 /nfs/dbraw/zinc/16/15/51/135161551.db2.gz HZLQKGPPCCUSRT-VXGBXAGGSA-N 2 1 206.333 2.335 20 0 BEADMP CC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000261532729 135163103 /nfs/dbraw/zinc/16/31/03/135163103.db2.gz DIKLLNDKUDNXFW-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[N@@H+](CC1CC1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261534484 135166537 /nfs/dbraw/zinc/16/65/37/135166537.db2.gz REMWBNMXUDUQCZ-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP [NH3+]CC[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC000261534635 135167655 /nfs/dbraw/zinc/16/76/55/135167655.db2.gz MWANPPRIVKFEPD-ZDUSSCGKSA-N 2 1 210.365 2.380 20 0 BEADMP [NH3+]CC[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000261534635 135167656 /nfs/dbraw/zinc/16/76/56/135167656.db2.gz MWANPPRIVKFEPD-ZDUSSCGKSA-N 2 1 210.365 2.380 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@H]2C)CC[NH2+]1 ZINC000261535303 135169313 /nfs/dbraw/zinc/16/93/13/135169313.db2.gz OBLVBDRSHHJVOE-UPJWGTAASA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000261538471 135176572 /nfs/dbraw/zinc/17/65/72/135176572.db2.gz YFKGEZUVMPFYGK-XQQFMLRXSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000261538900 135176887 /nfs/dbraw/zinc/17/68/87/135176887.db2.gz ZSWPITWONYNDLQ-UTUOFQBUSA-N 2 1 206.333 2.381 20 0 BEADMP C[C@@H]1CCCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261539319 135178063 /nfs/dbraw/zinc/17/80/63/135178063.db2.gz CCRCMMGMJILHSB-CHWSQXEVSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H]1CC[C@H](C)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000084048140 135178288 /nfs/dbraw/zinc/17/82/88/135178288.db2.gz RNWBTYAMEAKDKT-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@]1(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CC[NH2+]C1 ZINC000261540790 135180082 /nfs/dbraw/zinc/18/00/82/135180082.db2.gz FFMPQEXWABXQIV-MJBXVCDLSA-N 2 1 222.376 2.108 20 0 BEADMP CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccc(OC)cc1 ZINC000261542173 135182761 /nfs/dbraw/zinc/18/27/61/135182761.db2.gz BXQPYVPLYMSERC-GYSYKLTISA-N 2 1 236.359 2.472 20 0 BEADMP CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccc(OC)cc1 ZINC000261542174 135182781 /nfs/dbraw/zinc/18/27/81/135182781.db2.gz BXQPYVPLYMSERC-MJVIPROJSA-N 2 1 236.359 2.472 20 0 BEADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)C1(C)CCCC1 ZINC000261543092 135184242 /nfs/dbraw/zinc/18/42/42/135184242.db2.gz HKMQICMORIHXTI-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC000261549142 135187939 /nfs/dbraw/zinc/18/79/39/135187939.db2.gz OGHKUTZUFXUHPX-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1ncsc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000084149533 135188367 /nfs/dbraw/zinc/18/83/67/135188367.db2.gz WTHQEFBVPJOPCM-LLVKDONJSA-N 2 1 239.388 2.012 20 0 BEADMP Cc1ncsc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000084149534 135188442 /nfs/dbraw/zinc/18/84/42/135188442.db2.gz WTHQEFBVPJOPCM-NSHDSACASA-N 2 1 239.388 2.012 20 0 BEADMP C[C@H]1CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261549497 135188615 /nfs/dbraw/zinc/18/86/15/135188615.db2.gz ORMCVSNPTSCJNU-LBPRGKRZSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000261553594 135192738 /nfs/dbraw/zinc/19/27/38/135192738.db2.gz OBNHSEOTJIGQMB-ZFWWWQNUSA-N 2 1 232.371 2.461 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261557176 135198100 /nfs/dbraw/zinc/19/81/00/135198100.db2.gz RLZVQNJHRDCDOK-HUUCEWRRSA-N 2 1 230.355 2.179 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261557175 135198171 /nfs/dbraw/zinc/19/81/71/135198171.db2.gz RLZVQNJHRDCDOK-GJZGRUSLSA-N 2 1 230.355 2.179 20 0 BEADMP CC(C)(C)CC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261562065 135203788 /nfs/dbraw/zinc/20/37/88/135203788.db2.gz AYYIDMRVJBDPDB-UHFFFAOYSA-N 2 1 224.392 2.498 20 0 BEADMP Cc1ncccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261562530 135204622 /nfs/dbraw/zinc/20/46/22/135204622.db2.gz GMHMIZYTAZLQTD-YIONKMFJSA-N 2 1 245.370 2.105 20 0 BEADMP Cc1ncccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261562530 135204624 /nfs/dbraw/zinc/20/46/24/135204624.db2.gz GMHMIZYTAZLQTD-YIONKMFJSA-N 2 1 245.370 2.105 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1C ZINC000261565872 135207370 /nfs/dbraw/zinc/20/73/70/135207370.db2.gz YPUFJQBWKGSRHY-HNNXBMFYSA-N 2 1 232.371 2.474 20 0 BEADMP CCSCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000163823106 135208896 /nfs/dbraw/zinc/20/88/96/135208896.db2.gz MAYGMRSRXWGGLO-UHFFFAOYSA-N 2 1 242.432 2.346 20 0 BEADMP Cc1ccsc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261568131 135210093 /nfs/dbraw/zinc/21/00/93/135210093.db2.gz FJIZEPMXSQVYJB-RYUDHWBXSA-N 2 1 236.384 2.098 20 0 BEADMP C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@](C)(C[NH3+])C2)C1 ZINC000261571039 135213273 /nfs/dbraw/zinc/21/32/73/135213273.db2.gz HILKKQXIYFMPLT-MCIONIFRSA-N 2 1 224.392 2.483 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261570786 135213349 /nfs/dbraw/zinc/21/33/49/135213349.db2.gz KOZRGDLCYTYKLY-GXTWGEPZSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261570786 135213351 /nfs/dbraw/zinc/21/33/51/135213351.db2.gz KOZRGDLCYTYKLY-GXTWGEPZSA-N 2 1 248.345 2.175 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@](C)(C[NH3+])C2)C1 ZINC000261571038 135213455 /nfs/dbraw/zinc/21/34/55/135213455.db2.gz HILKKQXIYFMPLT-HZSPNIEDSA-N 2 1 224.392 2.483 20 0 BEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC3CCCCC3)C[C@@H]12 ZINC000261574644 135217039 /nfs/dbraw/zinc/21/70/39/135217039.db2.gz JKCGDQCQVPLBHE-BFHYXJOUSA-N 2 1 222.376 2.236 20 0 BEADMP CC(C)C[N@@H+](CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000084385385 135218117 /nfs/dbraw/zinc/21/81/17/135218117.db2.gz PMUOJAGHODZNSK-GFCCVEGCSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000084385431 135218345 /nfs/dbraw/zinc/21/83/45/135218345.db2.gz OTVUZVBOQLUANX-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261578034 135218899 /nfs/dbraw/zinc/21/88/99/135218899.db2.gz OSDXXPLPHGBHPI-DOMZBBRYSA-N 2 1 248.345 2.318 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261578034 135218900 /nfs/dbraw/zinc/21/89/00/135218900.db2.gz OSDXXPLPHGBHPI-DOMZBBRYSA-N 2 1 248.345 2.318 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c(C)c1 ZINC000261579237 135219957 /nfs/dbraw/zinc/21/99/57/135219957.db2.gz MGCLVKJCRNLOPU-TZMCWYRMSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c(C)c1 ZINC000261579237 135219958 /nfs/dbraw/zinc/21/99/58/135219958.db2.gz MGCLVKJCRNLOPU-TZMCWYRMSA-N 2 1 218.344 2.225 20 0 BEADMP C[C@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000261581335 135222318 /nfs/dbraw/zinc/22/23/18/135222318.db2.gz QPBQNOXPLLRNRL-KBMXLJTQSA-N 2 1 244.382 2.331 20 0 BEADMP C[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000261581567 135222338 /nfs/dbraw/zinc/22/23/38/135222338.db2.gz QSNZEXOQHWFZSE-BMFZPTHFSA-N 2 1 244.382 2.474 20 0 BEADMP C(C1CCCCC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261584823 135226122 /nfs/dbraw/zinc/22/61/22/135226122.db2.gz QBAJWFPYERFNAI-KGLIPLIRSA-N 2 1 222.376 2.108 20 0 BEADMP CCc1nc(N[C@@H]2CCCC[C@@H]2C[NH3+])cc(C)[nH+]1 ZINC000261584600 135226357 /nfs/dbraw/zinc/22/63/57/135226357.db2.gz SKDZXNRBAIDBIK-VXGBXAGGSA-N 2 1 248.374 2.277 20 0 BEADMP C(C1CCCCC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261584825 135226381 /nfs/dbraw/zinc/22/63/81/135226381.db2.gz QBAJWFPYERFNAI-ZIAGYGMSSA-N 2 1 222.376 2.108 20 0 BEADMP CC1(C)CCC(C[N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000261587323 135228578 /nfs/dbraw/zinc/22/85/78/135228578.db2.gz RSPDCSOJTKFLEF-CYBMUJFWSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@@H]1CC[C@]2(CC[N@@H+](CC(C)(C)[NH3+])C2)C1 ZINC000261589648 135230048 /nfs/dbraw/zinc/23/00/48/135230048.db2.gz UAABZOQFBFNGIW-YPMHNXCESA-N 2 1 210.365 2.236 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261589791 135230565 /nfs/dbraw/zinc/23/05/65/135230565.db2.gz WMYTWLLGLFKGKP-JKSUJKDBSA-N 2 1 244.382 2.487 20 0 BEADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261590123 135231064 /nfs/dbraw/zinc/23/10/64/135231064.db2.gz WVHROFQIYLTENB-MRVWCRGKSA-N 2 1 248.345 2.428 20 0 BEADMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261590123 135231065 /nfs/dbraw/zinc/23/10/65/135231065.db2.gz WVHROFQIYLTENB-MRVWCRGKSA-N 2 1 248.345 2.428 20 0 BEADMP Cc1ccsc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261592428 135232471 /nfs/dbraw/zinc/23/24/71/135232471.db2.gz VWDSRHQUJQZJNW-NWDGAFQWSA-N 2 1 236.384 2.240 20 0 BEADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1F ZINC000261592128 135232912 /nfs/dbraw/zinc/23/29/12/135232912.db2.gz YIEBXURHNIYXSA-GUTXKFCHSA-N 2 1 248.345 2.303 20 0 BEADMP Cc1ccsc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261592427 135232976 /nfs/dbraw/zinc/23/29/76/135232976.db2.gz VWDSRHQUJQZJNW-NEPJUHHUSA-N 2 1 236.384 2.240 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000261597503 135236768 /nfs/dbraw/zinc/23/67/68/135236768.db2.gz ZDOLFHVFOUEKDZ-NWDGAFQWSA-N 2 1 236.384 2.098 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261546221 135238547 /nfs/dbraw/zinc/23/85/47/135238547.db2.gz GRGCUMVSEXEEKM-SOUVJXGZSA-N 2 1 230.355 2.164 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261546219 135238563 /nfs/dbraw/zinc/23/85/63/135238563.db2.gz GRGCUMVSEXEEKM-KKUMJFAQSA-N 2 1 230.355 2.164 20 0 BEADMP CCC(C)(C)CC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261546685 135239507 /nfs/dbraw/zinc/23/95/07/135239507.db2.gz LFOTVAFIHORERU-NWDGAFQWSA-N 2 1 212.381 2.482 20 0 BEADMP CCC(C)(C)CC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000261546684 135239576 /nfs/dbraw/zinc/23/95/76/135239576.db2.gz LFOTVAFIHORERU-NEPJUHHUSA-N 2 1 212.381 2.482 20 0 BEADMP CCc1cccc(F)c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000261658811 135243382 /nfs/dbraw/zinc/24/33/82/135243382.db2.gz BMGQTLCQYPASEQ-NSHDSACASA-N 2 1 236.334 2.169 20 0 BEADMP CC(C)[NH2+]C1CC[NH+](Cc2cccc(N)c2)CC1 ZINC000261751991 135249682 /nfs/dbraw/zinc/24/96/82/135249682.db2.gz WPZUABTXYYOSEB-UHFFFAOYSA-N 2 1 247.386 2.231 20 0 BEADMP CCC[C@@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261756368 135250075 /nfs/dbraw/zinc/25/00/75/135250075.db2.gz KXDZCGZFQXKGMY-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)CC1(C)C ZINC000261768979 135251979 /nfs/dbraw/zinc/25/19/79/135251979.db2.gz MIOCHGPBBOSMQM-GXTWGEPZSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(F)cc1 ZINC000261815031 135255054 /nfs/dbraw/zinc/25/50/54/135255054.db2.gz HXOHQEZCLLSPRD-FPMFFAJLSA-N 2 1 248.345 2.080 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1(C)C ZINC000261813348 135255347 /nfs/dbraw/zinc/25/53/47/135255347.db2.gz HVAWEDALHFXRML-CHWSQXEVSA-N 2 1 224.392 2.354 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CC[C@H](F)C1 ZINC000342293536 135256395 /nfs/dbraw/zinc/25/63/95/135256395.db2.gz GWJBURKIVBFIGD-RYUDHWBXSA-N 2 1 237.322 2.128 20 0 BEADMP C[C@H]1CC2(CCC2)C[N@H+]1CC1CC[NH2+]CC1 ZINC000261864442 135258069 /nfs/dbraw/zinc/25/80/69/135258069.db2.gz UPXJDYBQYUOFQH-LBPRGKRZSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@]1(C[N@H+]2CCCCC(C)(C)C2)CC[NH2+]C1 ZINC000261882914 135260416 /nfs/dbraw/zinc/26/04/16/135260416.db2.gz RIZMLUBEGZARNM-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)[C@H]2CCCC[C@H]12 ZINC000261914136 135262438 /nfs/dbraw/zinc/26/24/38/135262438.db2.gz YYQKIYCZXFZKPH-APIJFGDWSA-N 2 1 236.403 2.497 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000261922813 135263835 /nfs/dbraw/zinc/26/38/35/135263835.db2.gz KPZAZXYYQDSFBI-CQSZACIVSA-N 2 1 248.370 2.045 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000261922813 135263836 /nfs/dbraw/zinc/26/38/36/135263836.db2.gz KPZAZXYYQDSFBI-CQSZACIVSA-N 2 1 248.370 2.045 20 0 BEADMP C[C@H]1C[C@@H]1C[N@H+](CC[NH3+])Cc1ccccc1 ZINC000261943959 135265584 /nfs/dbraw/zinc/26/55/84/135265584.db2.gz NDDYWENBQGVLOO-GXTWGEPZSA-N 2 1 218.344 2.103 20 0 BEADMP C[C@H]1C[C@@H]1C[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000261943959 135265585 /nfs/dbraw/zinc/26/55/85/135265585.db2.gz NDDYWENBQGVLOO-GXTWGEPZSA-N 2 1 218.344 2.103 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000342416959 135266523 /nfs/dbraw/zinc/26/65/23/135266523.db2.gz JOMYUBOFJAWCMA-MELADBBJSA-N 2 1 242.407 2.264 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000342416959 135266524 /nfs/dbraw/zinc/26/65/24/135266524.db2.gz JOMYUBOFJAWCMA-MELADBBJSA-N 2 1 242.407 2.264 20 0 BEADMP CC[N@@H+](Cc1cnccc1C)[C@H]1CCC[NH2+]CC1 ZINC000261997003 135270548 /nfs/dbraw/zinc/27/05/48/135270548.db2.gz SXUNKAKEWLPHEY-HNNXBMFYSA-N 2 1 247.386 2.354 20 0 BEADMP C[C@@H]1C[C@H](C)CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262018967 135273177 /nfs/dbraw/zinc/27/31/77/135273177.db2.gz MZAIOAJVQDWRDN-MCIONIFRSA-N 2 1 224.392 2.354 20 0 BEADMP Cc1cccc(C)c1OCC[NH2+]CC1([NH3+])CCC1 ZINC000262080123 135277385 /nfs/dbraw/zinc/27/73/85/135277385.db2.gz DYXPWRHXLNUTLE-UHFFFAOYSA-N 2 1 248.370 2.153 20 0 BEADMP CC(C)C[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262149966 135282396 /nfs/dbraw/zinc/28/23/96/135282396.db2.gz ZVCRQDHQDAAVBI-ZIAGYGMSSA-N 2 1 224.392 2.354 20 0 BEADMP Cc1cc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)on1 ZINC000262298390 135291565 /nfs/dbraw/zinc/29/15/65/135291565.db2.gz WZDQMXZKJHYLAC-CYBMUJFWSA-N 2 1 249.358 2.120 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000334356230 135369622 /nfs/dbraw/zinc/36/96/22/135369622.db2.gz MTUINFFTJLUFAL-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CC[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000334356230 135369624 /nfs/dbraw/zinc/36/96/24/135369624.db2.gz MTUINFFTJLUFAL-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CC[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000334356230 135369625 /nfs/dbraw/zinc/36/96/25/135369625.db2.gz MTUINFFTJLUFAL-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP [NH3+]C[C@@H]1CCC[C@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000089105891 135529663 /nfs/dbraw/zinc/52/96/63/135529663.db2.gz BLHOZBPXHGLBPQ-VHSXEESVSA-N 2 1 230.315 2.102 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cncc(F)c1 ZINC000335037459 135870519 /nfs/dbraw/zinc/87/05/19/135870519.db2.gz IIVFTBQFOBVMAN-GXFFZTMASA-N 2 1 237.322 2.013 20 0 BEADMP Cc1ccncc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000335177668 135932688 /nfs/dbraw/zinc/93/26/88/135932688.db2.gz KITLVIWMKHEEBK-ZIAGYGMSSA-N 2 1 233.359 2.140 20 0 BEADMP [NH3+][C@H]1CCCN(c2cc[nH+]c3ccsc32)C1 ZINC000335298303 136007530 /nfs/dbraw/zinc/00/75/30/136007530.db2.gz HOYLSDKNZAFDMU-VIFPVBQESA-N 2 1 233.340 2.224 20 0 BEADMP C1CC1[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000348072349 136033816 /nfs/dbraw/zinc/03/38/16/136033816.db2.gz AOQNAWVRKNEHMN-LSDHHAIUSA-N 2 1 234.387 2.391 20 0 BEADMP F[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000335399960 136093630 /nfs/dbraw/zinc/09/36/30/136093630.db2.gz QGRJJPXHMASNQO-YPMHNXCESA-N 2 1 240.366 2.484 20 0 BEADMP C[NH+](C)C1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000335401260 136094683 /nfs/dbraw/zinc/09/46/83/136094683.db2.gz SMAYZPISFWRCJL-UHFFFAOYSA-N 2 1 239.750 2.265 20 0 BEADMP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CC[NH3+] ZINC000335564030 136107030 /nfs/dbraw/zinc/10/70/30/136107030.db2.gz JSHBJOZTBRXTJT-JQWIXIFHSA-N 2 1 204.317 2.092 20 0 BEADMP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC(C)(C)[NH3+] ZINC000335599113 136113859 /nfs/dbraw/zinc/11/38/59/136113859.db2.gz NPEJAXLZCYUHOC-TVQRCGJNSA-N 2 1 236.334 2.386 20 0 BEADMP C[C@H]1CCC[N@H+](Cc2ccns2)[C@@H]1CC[NH3+] ZINC000405215631 397749280 /nfs/dbraw/zinc/74/92/80/397749280.db2.gz JWAOIBJFRFSWBB-CMPLNLGQSA-N 2 1 239.388 2.092 20 0 BEADMP C[C@H]1CCC[N@@H+](Cc2ccns2)[C@@H]1CC[NH3+] ZINC000405215631 397749288 /nfs/dbraw/zinc/74/92/88/397749288.db2.gz JWAOIBJFRFSWBB-CMPLNLGQSA-N 2 1 239.388 2.092 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccnc1 ZINC000624122437 397807253 /nfs/dbraw/zinc/80/72/53/397807253.db2.gz REHMAMMHZLHWPE-ZIAGYGMSSA-N 2 1 247.386 2.464 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccnc1 ZINC000624122437 397807256 /nfs/dbraw/zinc/80/72/56/397807256.db2.gz REHMAMMHZLHWPE-ZIAGYGMSSA-N 2 1 247.386 2.464 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000309600172 397865182 /nfs/dbraw/zinc/86/51/82/397865182.db2.gz XLQCONDYMDPRQQ-UONOGXRCSA-N 2 1 222.376 2.249 20 0 BEADMP Cc1c[nH+]ccc1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000358916104 397943433 /nfs/dbraw/zinc/94/34/33/397943433.db2.gz RBQKJCGCOVEYDS-CQSZACIVSA-N 2 1 245.370 2.241 20 0 BEADMP CC[C@](C)(C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)OC ZINC000637929436 398044256 /nfs/dbraw/zinc/04/42/56/398044256.db2.gz ADWHLXJXDRJUGB-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP CC[C@](C)(C[NH+](C)C[C@H]1CCC[N@H+](C)C1)OC ZINC000637929436 398044258 /nfs/dbraw/zinc/04/42/58/398044258.db2.gz ADWHLXJXDRJUGB-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP CC[C@](C)(C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)OC ZINC000637929436 398044259 /nfs/dbraw/zinc/04/42/59/398044259.db2.gz ADWHLXJXDRJUGB-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP CC[C@@](C)(C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)OC ZINC000637929435 398044499 /nfs/dbraw/zinc/04/44/99/398044499.db2.gz ADWHLXJXDRJUGB-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP CC[C@@](C)(C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)OC ZINC000637929435 398044503 /nfs/dbraw/zinc/04/45/03/398044503.db2.gz ADWHLXJXDRJUGB-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP CC[C@@](C)(C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)OC ZINC000637929435 398044508 /nfs/dbraw/zinc/04/45/08/398044508.db2.gz ADWHLXJXDRJUGB-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP CCCCOCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221679199 398046355 /nfs/dbraw/zinc/04/63/55/398046355.db2.gz WCAQOSVYICPHND-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP C[NH2+]CC[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000414823310 398047378 /nfs/dbraw/zinc/04/73/78/398047378.db2.gz IFUWVURTGJYDRN-AWEZNQCLSA-N 2 1 220.360 2.235 20 0 BEADMP C[C@H]1C[C@@H](C[N@@H+](C)C(C2CC2)C2CC2)CC[NH2+]1 ZINC000414689752 398019489 /nfs/dbraw/zinc/01/94/89/398019489.db2.gz GVFHWZLLHGMGDN-RYUDHWBXSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1[NH3+] ZINC000414763649 398028253 /nfs/dbraw/zinc/02/82/53/398028253.db2.gz NCCAJWVZKWSEBY-UNQGMJICSA-N 2 1 230.355 2.069 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1[NH3+] ZINC000414763649 398028257 /nfs/dbraw/zinc/02/82/57/398028257.db2.gz NCCAJWVZKWSEBY-UNQGMJICSA-N 2 1 230.355 2.069 20 0 BEADMP COc1c(C)cc(C[N@@H+](C)C2CC([NH3+])C2)cc1C ZINC000414776608 398034549 /nfs/dbraw/zinc/03/45/49/398034549.db2.gz NKBRBRSULVROPS-UHFFFAOYSA-N 2 1 248.370 2.234 20 0 BEADMP c1ccc([C@@H]2C[C@H]2C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000414781831 398036886 /nfs/dbraw/zinc/03/68/86/398036886.db2.gz DLOZWCQKVQESLM-UGUYLWEFSA-N 2 1 242.366 2.084 20 0 BEADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000414781831 398036888 /nfs/dbraw/zinc/03/68/88/398036888.db2.gz DLOZWCQKVQESLM-UGUYLWEFSA-N 2 1 242.366 2.084 20 0 BEADMP CC(C)CCC[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000054243379 397972548 /nfs/dbraw/zinc/97/25/48/397972548.db2.gz PQNMIEHKVPVSFJ-CYBMUJFWSA-N 2 1 212.381 2.354 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(F)cc1 ZINC000414817808 398042692 /nfs/dbraw/zinc/04/26/92/398042692.db2.gz TXQRKWLOVMCBKN-CYBMUJFWSA-N 2 1 224.323 2.433 20 0 BEADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)C(C)C ZINC000038098150 397978803 /nfs/dbraw/zinc/97/88/03/397978803.db2.gz RTFNHGYKRMHOQX-CYBMUJFWSA-N 2 1 212.381 2.495 20 0 BEADMP CCC(CC)(C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)OC ZINC000383993538 398055623 /nfs/dbraw/zinc/05/56/23/398055623.db2.gz NMHJWAJLKZOGPY-OLZOCXBDSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CCCC2)CCCO1 ZINC000061936301 398109026 /nfs/dbraw/zinc/10/90/26/398109026.db2.gz WURUZGRTCZZQRZ-CYBMUJFWSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCCC2)CCCO1 ZINC000061936301 398109029 /nfs/dbraw/zinc/10/90/29/398109029.db2.gz WURUZGRTCZZQRZ-CYBMUJFWSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@@H]1C[C@@H](C)[N@@H+](CC2CCC2)C[C@H]1C[NH3+] ZINC000397321476 398120521 /nfs/dbraw/zinc/12/05/21/398120521.db2.gz SXUIMHBGRVDDCH-NQBHXWOUSA-N 2 1 210.365 2.092 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(Cl)cc1 ZINC000107787147 322862665 /nfs/dbraw/zinc/86/26/65/322862665.db2.gz VKZOYLISINEYOH-NSHDSACASA-N 2 1 212.724 2.167 20 0 BEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000258839820 398131625 /nfs/dbraw/zinc/13/16/25/398131625.db2.gz DQXSLOCYGNMMBT-RYUDHWBXSA-N 2 1 242.725 2.449 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1cc(C)c(C)cc1C ZINC000414979664 398134624 /nfs/dbraw/zinc/13/46/24/398134624.db2.gz OCQPTZRNAMIBTM-AWEZNQCLSA-N 2 1 220.360 2.439 20 0 BEADMP CC(C)C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000053657773 167005947 /nfs/dbraw/zinc/00/59/47/167005947.db2.gz LCPNXWXQHNCMBN-ZDUSSCGKSA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367617968 167012138 /nfs/dbraw/zinc/01/21/38/167012138.db2.gz NZQPVXUNUSVPPF-JHJVBQTASA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)[NH2+]C1CC[NH+](CC[C@H](C)F)CC1 ZINC000336770326 167095663 /nfs/dbraw/zinc/09/56/63/167095663.db2.gz WMEYILBDLVMEKH-NSHDSACASA-N 2 1 216.344 2.197 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000685626131 487567443 /nfs/dbraw/zinc/56/74/43/487567443.db2.gz JOMYUBOFJAWCMA-RDBSUJKOSA-N 2 1 242.407 2.264 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000685626131 487567448 /nfs/dbraw/zinc/56/74/48/487567448.db2.gz JOMYUBOFJAWCMA-RDBSUJKOSA-N 2 1 242.407 2.264 20 0 BEADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC000334844121 487572409 /nfs/dbraw/zinc/57/24/09/487572409.db2.gz GFLJWJNGHKRSEP-WDEREUQCSA-N 2 1 240.297 2.324 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC000334844111 487572515 /nfs/dbraw/zinc/57/25/15/487572515.db2.gz GFLJWJNGHKRSEP-GHMZBOCLSA-N 2 1 240.297 2.324 20 0 BEADMP c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)C2 ZINC000232461133 487595968 /nfs/dbraw/zinc/59/59/68/487595968.db2.gz HUIRYQQIFKVZKF-HZPDHXFCSA-N 2 1 244.382 2.276 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cccs3)[C@H]2C1 ZINC001651698260 1172976334 /nfs/dbraw/zinc/97/63/34/1172976334.db2.gz UDYXAXLYVBCINI-DRZSPHRISA-N 2 1 236.384 2.178 20 0 BEADMP CC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)CC1 ZINC001651698332 1172977040 /nfs/dbraw/zinc/97/70/40/1172977040.db2.gz VIELEPHZLKWKGJ-FJGURNMVSA-N 2 1 236.403 2.495 20 0 BEADMP Cc1ccoc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001651697619 1172977718 /nfs/dbraw/zinc/97/77/18/1172977718.db2.gz DRVKPTFTLAACDL-RWMBFGLXSA-N 2 1 234.343 2.018 20 0 BEADMP Cc1ccoc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001651697619 1172977723 /nfs/dbraw/zinc/97/77/23/1172977723.db2.gz DRVKPTFTLAACDL-RWMBFGLXSA-N 2 1 234.343 2.018 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+]CC(C)(C)c1ccccc1 ZINC000162167090 487608699 /nfs/dbraw/zinc/60/86/99/487608699.db2.gz MCCXVFKPZXJAQI-LBPRGKRZSA-N 2 1 220.360 2.162 20 0 BEADMP CC[N@H+](CCn1cc[nH+]c1C)CCC(F)(F)F ZINC000677981688 487609335 /nfs/dbraw/zinc/60/93/35/487609335.db2.gz HOGBMRQTSCBKMM-UHFFFAOYSA-N 2 1 249.280 2.466 20 0 BEADMP CC[N@@H+](CCn1cc[nH+]c1C)CCC(F)(F)F ZINC000677981688 487609342 /nfs/dbraw/zinc/60/93/42/487609342.db2.gz HOGBMRQTSCBKMM-UHFFFAOYSA-N 2 1 249.280 2.466 20 0 BEADMP CC(C)SCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000336677686 167326807 /nfs/dbraw/zinc/32/68/07/167326807.db2.gz ICNMROKACVWYAC-LBPRGKRZSA-N 2 1 230.421 2.012 20 0 BEADMP C1=CCC(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000662263505 409556423 /nfs/dbraw/zinc/55/64/23/409556423.db2.gz BVMGPPNAGGBQGM-HUUCEWRRSA-N 2 1 234.387 2.417 20 0 BEADMP CC[C@@H](CC(F)F)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000662264456 409559818 /nfs/dbraw/zinc/55/98/18/409559818.db2.gz DHAXZANEWPIOHJ-AAEUAGOBSA-N 2 1 246.345 2.353 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662241646 409528167 /nfs/dbraw/zinc/52/81/67/409528167.db2.gz VARFUDWGKIFWPP-ZIAGYGMSSA-N 2 1 230.355 2.140 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662241646 409528171 /nfs/dbraw/zinc/52/81/71/409528171.db2.gz VARFUDWGKIFWPP-ZIAGYGMSSA-N 2 1 230.355 2.140 20 0 BEADMP CN[C@H]1CC[N@@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC000662241498 409529881 /nfs/dbraw/zinc/52/98/81/409529881.db2.gz SVVNVBBRAKCRQS-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCC1CCC1 ZINC000662246902 409543079 /nfs/dbraw/zinc/54/30/79/409543079.db2.gz VGPHDLDLDFFFFB-ZDUSSCGKSA-N 2 1 210.365 2.251 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCCC1CCC1 ZINC000662246902 409543086 /nfs/dbraw/zinc/54/30/86/409543086.db2.gz VGPHDLDLDFFFFB-ZDUSSCGKSA-N 2 1 210.365 2.251 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662317786 409637222 /nfs/dbraw/zinc/63/72/22/409637222.db2.gz SIYYLTAUIFKQCK-CYBMUJFWSA-N 2 1 210.365 2.108 20 0 BEADMP CC[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC[C@H]1[NH3+] ZINC000662270504 409572664 /nfs/dbraw/zinc/57/26/64/409572664.db2.gz LPMNQFBEHDFVSE-RKQHYHRCSA-N 2 1 222.376 2.092 20 0 BEADMP CO[C@H](C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C)C1CCCC1 ZINC000662284267 409614667 /nfs/dbraw/zinc/61/46/67/409614667.db2.gz MJIRHMJSRGEEBY-FPMFFAJLSA-N 2 1 240.391 2.003 20 0 BEADMP Cc1nc(C)c(C[NH+]2CCC(C)([NH3+])CC2)s1 ZINC000647531155 487610776 /nfs/dbraw/zinc/61/07/76/487610776.db2.gz DMOMWQZWROXSPP-UHFFFAOYSA-N 2 1 239.388 2.073 20 0 BEADMP CC(C)SCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000304325757 167332144 /nfs/dbraw/zinc/33/21/44/167332144.db2.gz SVLFBSJFILVEQY-CHWSQXEVSA-N 2 1 242.432 2.344 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000308778194 409905820 /nfs/dbraw/zinc/90/58/20/409905820.db2.gz BITYDJCGAZNBRK-GRYCIOLGSA-N 2 1 212.381 2.338 20 0 BEADMP CC[C@H]1C[N@@H+](CCCCCF)CC[C@@H]1[NH3+] ZINC000308916724 409938205 /nfs/dbraw/zinc/93/82/05/409938205.db2.gz INEBBGKPIJBPOK-RYUDHWBXSA-N 2 1 216.344 2.185 20 0 BEADMP CCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158485207 410249198 /nfs/dbraw/zinc/24/91/98/410249198.db2.gz AHGYQMWZVZSQAH-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CCc1ccccc1 ZINC000663509435 410281234 /nfs/dbraw/zinc/28/12/34/410281234.db2.gz KMQSPQYLVPZLQX-CHWSQXEVSA-N 2 1 220.360 2.205 20 0 BEADMP C[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000050953006 410323709 /nfs/dbraw/zinc/32/37/09/410323709.db2.gz SRBDBSQUTVKHGY-GFCCVEGCSA-N 2 1 210.365 2.108 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc2c1CCC2 ZINC000650702949 410332291 /nfs/dbraw/zinc/33/22/91/410332291.db2.gz APIKAIGSGLGTIU-CQSZACIVSA-N 2 1 230.355 2.098 20 0 BEADMP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc2c1CCC2 ZINC000650702949 410332297 /nfs/dbraw/zinc/33/22/97/410332297.db2.gz APIKAIGSGLGTIU-CQSZACIVSA-N 2 1 230.355 2.098 20 0 BEADMP [NH3+][C@H](C[NH2+]Cc1cccc2c1CCC2)C1CC1 ZINC000650703672 410333396 /nfs/dbraw/zinc/33/33/96/410333396.db2.gz LCLCZVZLVUEGJG-OAHLLOKOSA-N 2 1 230.355 2.002 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@]3(CC3(F)F)C2)CC[NH2+]1 ZINC000650725379 410359880 /nfs/dbraw/zinc/35/98/80/410359880.db2.gz ZJNLOTMJFQCMPU-IJLUTSLNSA-N 2 1 244.329 2.106 20 0 BEADMP CC(C)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650724047 410360025 /nfs/dbraw/zinc/36/00/25/410360025.db2.gz XNCZEOTWMJVPCQ-BFHYXJOUSA-N 2 1 240.391 2.003 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000650741622 410374688 /nfs/dbraw/zinc/37/46/88/410374688.db2.gz HXYOSUBILFYIRO-RVMXOQNASA-N 2 1 224.392 2.399 20 0 BEADMP CC[C@@H]([NH2+]CCc1cnccc1C)[C@@H]1CCC[NH2+]1 ZINC000665239206 410729802 /nfs/dbraw/zinc/72/98/02/410729802.db2.gz OBGKGBKAPQIANI-CABCVRRESA-N 2 1 247.386 2.053 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1C ZINC000665245936 410729821 /nfs/dbraw/zinc/72/98/21/410729821.db2.gz VFOFYXCLXWEGDA-XJKSGUPXSA-N 2 1 246.398 2.434 20 0 BEADMP C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000665266554 410738750 /nfs/dbraw/zinc/73/87/50/410738750.db2.gz FCYFZUNQTSKRIC-VWYCJHECSA-N 2 1 232.318 2.152 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1N(C)C ZINC000653299263 410816354 /nfs/dbraw/zinc/81/63/54/410816354.db2.gz MGUCJXNWAHDZBN-JSGCOSHPSA-N 2 1 247.386 2.064 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@H]1CCC[C@H]1CCCF ZINC000665297884 410823780 /nfs/dbraw/zinc/82/37/80/410823780.db2.gz NKUWJERLURFHND-SRVKXCTJSA-N 2 1 216.344 2.102 20 0 BEADMP CC(C)C[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000020094532 167002848 /nfs/dbraw/zinc/00/28/48/167002848.db2.gz MQOAYYLZJRXVQQ-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP CC(C)C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000053657777 167006094 /nfs/dbraw/zinc/00/60/94/167006094.db2.gz LCPNXWXQHNCMBN-CYBMUJFWSA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000037482883 167101529 /nfs/dbraw/zinc/10/15/29/167101529.db2.gz OFUFOCDYQQHVQN-ZDUSSCGKSA-N 2 1 212.381 2.497 20 0 BEADMP CC(C)C[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000396981341 410907773 /nfs/dbraw/zinc/90/77/73/410907773.db2.gz UKGKWMKVRJBXAG-STQMWFEESA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)C[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000396981338 410908394 /nfs/dbraw/zinc/90/83/94/410908394.db2.gz UKGKWMKVRJBXAG-CHWSQXEVSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000374325890 167256975 /nfs/dbraw/zinc/25/69/75/167256975.db2.gz CYTZAOKQVUYKID-MGPQQGTHSA-N 2 1 240.391 2.016 20 0 BEADMP CC(C)SCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336685110 167334135 /nfs/dbraw/zinc/33/41/35/167334135.db2.gz KNZAKNAAAHXDGF-RYUDHWBXSA-N 2 1 230.421 2.200 20 0 BEADMP C[C@@H](CCCCO)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000398446648 410964398 /nfs/dbraw/zinc/96/43/98/410964398.db2.gz YUUXFDDIKKMHMZ-JSGCOSHPSA-N 2 1 242.407 2.035 20 0 BEADMP CC[NH+](CC)[C@@H](C)C[NH2+]C1CCC(OC)CC1 ZINC000355294090 169796331 /nfs/dbraw/zinc/79/63/31/169796331.db2.gz RWXMZBMCZQVDHT-HSBZDZAISA-N 2 1 242.407 2.264 20 0 BEADMP CCC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000309399140 411162917 /nfs/dbraw/zinc/16/29/17/411162917.db2.gz DCSPJJYJFBGFER-IHRRRGAJSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc2cnccc2o1 ZINC000651694290 411136654 /nfs/dbraw/zinc/13/66/54/411136654.db2.gz YBIHSEFQYPOECO-LLVKDONJSA-N 2 1 247.342 2.258 20 0 BEADMP CC(C)CC[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000111239052 411163873 /nfs/dbraw/zinc/16/38/73/411163873.db2.gz REJACYIQMQUKGZ-GFCCVEGCSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCCOCC1 ZINC000651865662 411147722 /nfs/dbraw/zinc/14/77/22/411147722.db2.gz CPJMPUGYXHSJBW-CQSZACIVSA-N 2 1 242.407 2.123 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000651864703 411147789 /nfs/dbraw/zinc/14/77/89/411147789.db2.gz BCUGSUZRCUOKDO-MELADBBJSA-N 2 1 242.407 2.120 20 0 BEADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCS1 ZINC000123523428 411154214 /nfs/dbraw/zinc/15/42/14/411154214.db2.gz ROSKDUFNNRATEB-GFCCVEGCSA-N 2 1 242.432 2.204 20 0 BEADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1CC1CCCC1 ZINC000655949012 411161396 /nfs/dbraw/zinc/16/13/96/411161396.db2.gz KFEUEVRXIMYWLY-YPMHNXCESA-N 2 1 210.365 2.378 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)CS1 ZINC000655696816 411242671 /nfs/dbraw/zinc/24/26/71/411242671.db2.gz KVQSIFJBOVQLDB-WXHSDQCUSA-N 2 1 242.432 2.200 20 0 BEADMP c1ccc([C@@H]2C[C@H]2C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000655754420 411184436 /nfs/dbraw/zinc/18/44/36/411184436.db2.gz QAFUBLKPAMDCHI-HOTGVXAUSA-N 2 1 244.382 2.476 20 0 BEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)C(C)(C)C(F)F ZINC000657980337 411186526 /nfs/dbraw/zinc/18/65/26/411186526.db2.gz BMZRDVRQSBFOJR-VIFPVBQESA-N 2 1 245.317 2.232 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657983038 411188527 /nfs/dbraw/zinc/18/85/27/411188527.db2.gz QLVRBBAKYHGUSE-RDBSUJKOSA-N 2 1 247.386 2.377 20 0 BEADMP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000656193606 411199371 /nfs/dbraw/zinc/19/93/71/411199371.db2.gz OUJPFMCUQFYSSD-AVGNSLFASA-N 2 1 242.407 2.025 20 0 BEADMP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)[C@@H]1CCCCO1 ZINC000656202094 411206072 /nfs/dbraw/zinc/20/60/72/411206072.db2.gz YHCRWVSVHSQVBU-RQJABVFESA-N 2 1 240.391 2.064 20 0 BEADMP COC[C@@H](CC(C)(C)C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000656202127 411206114 /nfs/dbraw/zinc/20/61/14/411206114.db2.gz ZAWLJRYSQIOZLI-XQQFMLRXSA-N 2 1 242.407 2.168 20 0 BEADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)[C@@H]1CCCCO1 ZINC000656202093 411206434 /nfs/dbraw/zinc/20/64/34/411206434.db2.gz YHCRWVSVHSQVBU-RFGFWPKPSA-N 2 1 240.391 2.064 20 0 BEADMP COC[C@H](CC(C)(C)C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000656202121 411206521 /nfs/dbraw/zinc/20/65/21/411206521.db2.gz ZAWLJRYSQIOZLI-AGIUHOORSA-N 2 1 242.407 2.168 20 0 BEADMP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)[C@@H]1CCCCO1 ZINC000656202086 411206563 /nfs/dbraw/zinc/20/65/63/411206563.db2.gz YHCRWVSVHSQVBU-FQUUOJAGSA-N 2 1 240.391 2.064 20 0 BEADMP COc1c(C)cccc1C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000656201309 411206683 /nfs/dbraw/zinc/20/66/83/411206683.db2.gz VGRQSIDQNNCPRC-CHWSQXEVSA-N 2 1 248.370 2.091 20 0 BEADMP COCCCCC[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652355023 411214724 /nfs/dbraw/zinc/21/47/24/411214724.db2.gz MYTHCFBWJZHZNO-KGLIPLIRSA-N 2 1 242.407 2.252 20 0 BEADMP CCO[C@@H]1C[N@@H+](CCC(C)(C)CC)C[C@H]1C[NH3+] ZINC000652356803 411215257 /nfs/dbraw/zinc/21/52/57/411215257.db2.gz IPIPMJOYLVDLFY-CHWSQXEVSA-N 2 1 242.407 2.108 20 0 BEADMP Cc1c[nH+]ccc1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656226293 411215382 /nfs/dbraw/zinc/21/53/82/411215382.db2.gz LPYMHMQMSGUQNE-LSDHHAIUSA-N 2 1 245.370 2.241 20 0 BEADMP CCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655683565 411224835 /nfs/dbraw/zinc/22/48/35/411224835.db2.gz HKFBOKHFOJBUAL-AWEZNQCLSA-N 2 1 240.391 2.020 20 0 BEADMP CC[C@H]([NH2+]CCC[NH2+]C)c1ccccc1OC ZINC000423202890 411238230 /nfs/dbraw/zinc/23/82/30/411238230.db2.gz RRAHDRZQEOJLHI-ZDUSSCGKSA-N 2 1 236.359 2.345 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C)SC2)C1 ZINC000655693953 411239499 /nfs/dbraw/zinc/23/94/99/411239499.db2.gz BIQKVFOAOLXVQU-JHJVBQTASA-N 2 1 242.432 2.202 20 0 BEADMP CC1(C)C[C@@]1(C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000658300748 411327107 /nfs/dbraw/zinc/32/71/07/411327107.db2.gz FKFKIOJSNJZFDV-CQSZACIVSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CS1 ZINC000655712165 411267234 /nfs/dbraw/zinc/26/72/34/411267234.db2.gz RHUFVXBGZRFKBJ-UPJWGTAASA-N 2 1 242.432 2.202 20 0 BEADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1cccnc1 ZINC000050952677 411269577 /nfs/dbraw/zinc/26/95/77/411269577.db2.gz UCPMKTGKXPAQRV-UHFFFAOYSA-N 2 1 247.386 2.293 20 0 BEADMP CC(C)CC[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000051919127 411286323 /nfs/dbraw/zinc/28/63/23/411286323.db2.gz WXPBVZYYCOBRAJ-CYBMUJFWSA-N 2 1 212.381 2.354 20 0 BEADMP CC(C)CC[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000051919125 411286584 /nfs/dbraw/zinc/28/65/84/411286584.db2.gz WXPBVZYYCOBRAJ-ZDUSSCGKSA-N 2 1 212.381 2.354 20 0 BEADMP CC(C)(F)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000658191673 411287552 /nfs/dbraw/zinc/28/75/52/411287552.db2.gz YDFRLJNMFVDAMI-UHFFFAOYSA-N 2 1 228.355 2.341 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)F)[C@@H](C)C1 ZINC000658193406 411288305 /nfs/dbraw/zinc/28/83/05/411288305.db2.gz UNMRRPBMMIOHCU-RYUDHWBXSA-N 2 1 230.371 2.445 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)F)CC[N@H+]1C ZINC000658193779 411288509 /nfs/dbraw/zinc/28/85/09/411288509.db2.gz YONYOEUHWPJUGN-QWRGUYRKSA-N 2 1 216.344 2.197 20 0 BEADMP C[C@@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1(F)F ZINC000658219212 411298992 /nfs/dbraw/zinc/29/89/92/411298992.db2.gz ALJLACYLWUZSFU-LBPRGKRZSA-N 2 1 244.329 2.248 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CC2(F)F)[C@@H](C)C1 ZINC000658220092 411299672 /nfs/dbraw/zinc/29/96/72/411299672.db2.gz OXOSJYMRQCLCQR-SDDRHHMPSA-N 2 1 246.345 2.352 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@]2(C)CC2(F)F)CC[N@H+]1C ZINC000658223093 411301962 /nfs/dbraw/zinc/30/19/62/411301962.db2.gz SKGZFQSBBJGRJY-WOPDTQHZSA-N 2 1 246.345 2.494 20 0 BEADMP CC(C)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000070584453 411318310 /nfs/dbraw/zinc/31/83/10/411318310.db2.gz ZCMAQWDHZVZONJ-LBPRGKRZSA-N 2 1 210.365 2.391 20 0 BEADMP CC(C)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000070584453 411318313 /nfs/dbraw/zinc/31/83/13/411318313.db2.gz ZCMAQWDHZVZONJ-LBPRGKRZSA-N 2 1 210.365 2.391 20 0 BEADMP C[N@H+](Cc1ccc2ncccc2c1)CC(C)(C)[NH3+] ZINC000656782766 411359338 /nfs/dbraw/zinc/35/93/38/411359338.db2.gz JOEDYGTUNAKCDX-UHFFFAOYSA-N 2 1 243.354 2.404 20 0 BEADMP C[N@@H+](Cc1ccc2ncccc2c1)CC(C)(C)[NH3+] ZINC000656782766 411359343 /nfs/dbraw/zinc/35/93/43/411359343.db2.gz JOEDYGTUNAKCDX-UHFFFAOYSA-N 2 1 243.354 2.404 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783360 411359919 /nfs/dbraw/zinc/35/99/19/411359919.db2.gz PWTFOTXWQBWWOT-SNPRPXQTSA-N 2 1 236.403 2.354 20 0 BEADMP C[C@H]1CCCC[C@@H]1C[N@@H+](C)CC(C)(C)N ZINC000656786370 411365898 /nfs/dbraw/zinc/36/58/98/411365898.db2.gz XZEIDINGNHDUBB-NWDGAFQWSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@H]1CCCC[C@@H]1CN(C)CC(C)(C)[NH3+] ZINC000656786370 411365899 /nfs/dbraw/zinc/36/58/99/411365899.db2.gz XZEIDINGNHDUBB-NWDGAFQWSA-N 2 1 212.381 2.482 20 0 BEADMP CN(C)c1ccccc1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788350 411367745 /nfs/dbraw/zinc/36/77/45/411367745.db2.gz KQXJEHDPZZSKLF-UHFFFAOYSA-N 2 1 247.386 2.114 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2cccc3c2NCC3)CCCC1 ZINC000656789460 411369462 /nfs/dbraw/zinc/36/94/62/411369462.db2.gz OGMSGTRKTNHVGM-UHFFFAOYSA-N 2 1 245.370 2.016 20 0 BEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000653763642 411344559 /nfs/dbraw/zinc/34/45/59/411344559.db2.gz RIGFGFNCOSELOC-CQSZACIVSA-N 2 1 247.386 2.475 20 0 BEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000653763642 411344562 /nfs/dbraw/zinc/34/45/62/411344562.db2.gz RIGFGFNCOSELOC-CQSZACIVSA-N 2 1 247.386 2.475 20 0 BEADMP CC1(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CCC1 ZINC000336631956 168024021 /nfs/dbraw/zinc/02/40/21/168024021.db2.gz AWFNHJQCAKIOKT-AWEZNQCLSA-N 2 1 222.376 2.252 20 0 BEADMP CC1=C[C@H](C)C[C@@H](C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000356392085 168128814 /nfs/dbraw/zinc/12/88/14/168128814.db2.gz JRXNXWFSZXHSLI-DRPJVOAASA-N 2 1 248.414 2.472 20 0 BEADMP CC1=C[C@H](C)C[C@@H](C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC000356392085 168128815 /nfs/dbraw/zinc/12/88/15/168128815.db2.gz JRXNXWFSZXHSLI-DRPJVOAASA-N 2 1 248.414 2.472 20 0 BEADMP CC1=C[C@H](C)C[C@@H](C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC000356392085 168128818 /nfs/dbraw/zinc/12/88/18/168128818.db2.gz JRXNXWFSZXHSLI-DRPJVOAASA-N 2 1 248.414 2.472 20 0 BEADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000124653222 168182109 /nfs/dbraw/zinc/18/21/09/168182109.db2.gz PYZHHAGMZOCYRQ-ZDUSSCGKSA-N 2 1 210.365 2.203 20 0 BEADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000124653411 168182445 /nfs/dbraw/zinc/18/24/45/168182445.db2.gz PYZHHAGMZOCYRQ-CYBMUJFWSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H]1CCC[N@@H+](Cc2cncs2)[C@H]1CC[NH3+] ZINC000404277094 411387998 /nfs/dbraw/zinc/38/79/98/411387998.db2.gz BEPXJVMDIFBRJT-JQWIXIFHSA-N 2 1 239.388 2.092 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404321811 411391006 /nfs/dbraw/zinc/39/10/06/411391006.db2.gz RFYCWGKIGNNWMX-OLZOCXBDSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@H]1CCC[N@@H+](Cc2ccccn2)[C@@H]1CC[NH3+] ZINC000404360295 411391391 /nfs/dbraw/zinc/39/13/91/411391391.db2.gz DWXVNHHJYKQGQV-GXTWGEPZSA-N 2 1 233.359 2.031 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357075966 168276258 /nfs/dbraw/zinc/27/62/58/168276258.db2.gz JNKMEHOBIWIRMS-QWHCGFSZSA-N 2 1 224.392 2.354 20 0 BEADMP CCC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000336772612 168281966 /nfs/dbraw/zinc/28/19/66/168281966.db2.gz YEGKBODKTPCFPA-NEPJUHHUSA-N 2 1 212.381 2.352 20 0 BEADMP CCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000336772617 168282015 /nfs/dbraw/zinc/28/20/15/168282015.db2.gz YEGKBODKTPCFPA-VXGBXAGGSA-N 2 1 212.381 2.352 20 0 BEADMP Cc1ccncc1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404410481 411395458 /nfs/dbraw/zinc/39/54/58/411395458.db2.gz CESGPANJFKOMOZ-ZFWWWQNUSA-N 2 1 247.386 2.339 20 0 BEADMP CC[C@@H](C)C[N@H+](C)CCCc1c[nH+]cn1C ZINC000653555262 411420606 /nfs/dbraw/zinc/42/06/06/411420606.db2.gz RRYZLUSPTPFSFF-GFCCVEGCSA-N 2 1 223.364 2.331 20 0 BEADMP CC[C@@H](C)C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000653555262 411420607 /nfs/dbraw/zinc/42/06/07/411420607.db2.gz RRYZLUSPTPFSFF-GFCCVEGCSA-N 2 1 223.364 2.331 20 0 BEADMP C[C@H]([NH2+]Cc1cnc2n1CCC2)c1ccccn1 ZINC000657286609 411445323 /nfs/dbraw/zinc/44/53/23/411445323.db2.gz ANCQFUTXGPRFAA-NSHDSACASA-N 2 1 242.326 2.075 20 0 BEADMP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])c(C)c1 ZINC000415003696 411482433 /nfs/dbraw/zinc/48/24/33/411482433.db2.gz GKHYTSNAFJDDLL-VXGBXAGGSA-N 2 1 206.333 2.129 20 0 BEADMP CC(C)Oc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000415011676 411488138 /nfs/dbraw/zinc/48/81/38/411488138.db2.gz RFTWNRKVEVYCFG-RYUDHWBXSA-N 2 1 236.359 2.299 20 0 BEADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)ccn2)C1 ZINC000285592665 170008640 /nfs/dbraw/zinc/00/86/40/170008640.db2.gz JHASWGZVNOYRCJ-KBPBESRZSA-N 2 1 247.386 2.382 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)ccn2)C1 ZINC000285592665 170008641 /nfs/dbraw/zinc/00/86/41/170008641.db2.gz JHASWGZVNOYRCJ-KBPBESRZSA-N 2 1 247.386 2.382 20 0 BEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccn(C)c2)C[C@@H]1C ZINC000353749685 170009364 /nfs/dbraw/zinc/00/93/64/170009364.db2.gz GDLHEZBBLIOXFH-DZGCQCFKSA-N 2 1 249.402 2.330 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccn(C)c2)C[C@@H]1C ZINC000353749685 170009366 /nfs/dbraw/zinc/00/93/66/170009366.db2.gz GDLHEZBBLIOXFH-DZGCQCFKSA-N 2 1 249.402 2.330 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccn(C)c2)C[C@@H]1C ZINC000353749685 170009367 /nfs/dbraw/zinc/00/93/67/170009367.db2.gz GDLHEZBBLIOXFH-DZGCQCFKSA-N 2 1 249.402 2.330 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccn(C)c2)C[C@@H]1C ZINC000353749685 170009369 /nfs/dbraw/zinc/00/93/69/170009369.db2.gz GDLHEZBBLIOXFH-DZGCQCFKSA-N 2 1 249.402 2.330 20 0 BEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccn2C)[C@H](C)C1 ZINC000093639678 170009594 /nfs/dbraw/zinc/00/95/94/170009594.db2.gz NLSGIZXCDASZHO-UKRRQHHQSA-N 2 1 249.402 2.187 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccn2C)[C@H](C)C1 ZINC000093639678 170009596 /nfs/dbraw/zinc/00/95/96/170009596.db2.gz NLSGIZXCDASZHO-UKRRQHHQSA-N 2 1 249.402 2.187 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccn2C)[C@H](C)C1 ZINC000093639678 170009597 /nfs/dbraw/zinc/00/95/97/170009597.db2.gz NLSGIZXCDASZHO-UKRRQHHQSA-N 2 1 249.402 2.187 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccn2C)[C@H](C)C1 ZINC000093639678 170009598 /nfs/dbraw/zinc/00/95/98/170009598.db2.gz NLSGIZXCDASZHO-UKRRQHHQSA-N 2 1 249.402 2.187 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCF)C[C@@H]1C ZINC000361531316 170010067 /nfs/dbraw/zinc/01/00/67/170010067.db2.gz QMBOCIBSSPMMAH-NWDGAFQWSA-N 2 1 216.344 2.151 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCF)C[C@@H]1C ZINC000361531316 170010068 /nfs/dbraw/zinc/01/00/68/170010068.db2.gz QMBOCIBSSPMMAH-NWDGAFQWSA-N 2 1 216.344 2.151 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC2CC2)[C@@H](C)C1 ZINC000336671495 170010096 /nfs/dbraw/zinc/01/00/96/170010096.db2.gz YULJXPKRASGVSH-GXTWGEPZSA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC2CC2)[C@@H](C)C1 ZINC000336671495 170010098 /nfs/dbraw/zinc/01/00/98/170010098.db2.gz YULJXPKRASGVSH-GXTWGEPZSA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC2CC2)[C@@H](C)C1 ZINC000336671495 170010099 /nfs/dbraw/zinc/01/00/99/170010099.db2.gz YULJXPKRASGVSH-GXTWGEPZSA-N 2 1 224.392 2.449 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCSC(C)C)[C@H](C)C1 ZINC000336780275 170012025 /nfs/dbraw/zinc/01/20/25/170012025.db2.gz QTCMVVZOZIOSDP-CHWSQXEVSA-N 2 1 244.448 2.448 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC000037731403 170015694 /nfs/dbraw/zinc/01/56/94/170015694.db2.gz IPLYMIOKLANOGR-GFCCVEGCSA-N 2 1 212.381 2.354 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000309953720 170016258 /nfs/dbraw/zinc/01/62/58/170016258.db2.gz HIKPEQRBDDCSHZ-CHWSQXEVSA-N 2 1 222.376 2.251 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2sccc2C)C1 ZINC000037484198 170016443 /nfs/dbraw/zinc/01/64/43/170016443.db2.gz DJINSBWVKLWPMV-GFCCVEGCSA-N 2 1 238.400 2.488 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccnc2)C1 ZINC000037644021 170016736 /nfs/dbraw/zinc/01/67/36/170016736.db2.gz HHPYPQBUVMMREZ-QWHCGFSZSA-N 2 1 233.359 2.074 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)C1 ZINC000337378452 170017387 /nfs/dbraw/zinc/01/73/87/170017387.db2.gz HYGNNKWLFWDWOP-TUVASFSCSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)CO1 ZINC000657501640 411538674 /nfs/dbraw/zinc/53/86/74/411538674.db2.gz YQWCUPIWVUDQML-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C)CC2)[C@H](C)C1 ZINC000309054338 170020883 /nfs/dbraw/zinc/02/08/83/170020883.db2.gz SSWVVRAKGVDXIG-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C2CC(F)(F)C2)[C@H](C)C1 ZINC000309676849 170021189 /nfs/dbraw/zinc/02/11/89/170021189.db2.gz YBGGHOUPZHIMMU-KOLCDFICSA-N 2 1 232.318 2.104 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cnccc2C)[C@@H](C)C1 ZINC000354498503 170021302 /nfs/dbraw/zinc/02/13/02/170021302.db2.gz JPEQTURNMXVFNZ-ZFWWWQNUSA-N 2 1 247.386 2.210 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cnccc2C)[C@@H](C)C1 ZINC000354498503 170021303 /nfs/dbraw/zinc/02/13/03/170021303.db2.gz JPEQTURNMXVFNZ-ZFWWWQNUSA-N 2 1 247.386 2.210 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC2(C)C)[C@H](C)C1 ZINC000336778033 170022235 /nfs/dbraw/zinc/02/22/35/170022235.db2.gz KFTMDVOLWASZIW-AGIUHOORSA-N 2 1 224.392 2.495 20 0 BEADMP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)[C@@H]2C1 ZINC000660225450 411556208 /nfs/dbraw/zinc/55/62/08/411556208.db2.gz PTGLZBRJTBGKPI-UXXRCYHCSA-N 2 1 234.387 2.059 20 0 BEADMP C[N@H+]1CC[C@@H]2CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)[C@@H]2C1 ZINC000660225450 411556209 /nfs/dbraw/zinc/55/62/09/411556209.db2.gz PTGLZBRJTBGKPI-UXXRCYHCSA-N 2 1 234.387 2.059 20 0 BEADMP C[NH+]1CC[C@@H]2CC[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)[C@@H]2C1 ZINC000660225450 411556210 /nfs/dbraw/zinc/55/62/10/411556210.db2.gz PTGLZBRJTBGKPI-UXXRCYHCSA-N 2 1 234.387 2.059 20 0 BEADMP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)[C@@H]2C1 ZINC000660225450 411556211 /nfs/dbraw/zinc/55/62/11/411556211.db2.gz PTGLZBRJTBGKPI-UXXRCYHCSA-N 2 1 234.387 2.059 20 0 BEADMP C[NH+]1CCC([NH2+]CC[C@]2(C)CC2(F)F)CC1 ZINC000657669959 411574783 /nfs/dbraw/zinc/57/47/83/411574783.db2.gz BYDOPGITPDQANX-LLVKDONJSA-N 2 1 232.318 2.106 20 0 BEADMP CCOCCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000336708429 170370610 /nfs/dbraw/zinc/37/06/10/170370610.db2.gz HYBIOIAXSRUMFK-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP CCOCCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000336708429 170370612 /nfs/dbraw/zinc/37/06/12/170370612.db2.gz HYBIOIAXSRUMFK-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP CCOCCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000336708429 170370614 /nfs/dbraw/zinc/37/06/14/170370614.db2.gz HYBIOIAXSRUMFK-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP CC(C)(F)CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657645274 411568850 /nfs/dbraw/zinc/56/88/50/411568850.db2.gz QEINEHCLXSVVHO-NWDGAFQWSA-N 2 1 228.355 2.341 20 0 BEADMP CC1(C)C[C@]1(C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657761394 411591555 /nfs/dbraw/zinc/59/15/55/411591555.db2.gz KAOBNEKQXWUZLL-BZPMIXESSA-N 2 1 222.376 2.391 20 0 BEADMP CCC[N@H+](C)CC(C)(C)[NH2+]CC(C)C ZINC000657791941 411598087 /nfs/dbraw/zinc/59/80/87/411598087.db2.gz CSKLBMKBFSACAF-UHFFFAOYSA-N 2 1 200.370 2.352 20 0 BEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CC(C)C ZINC000657791941 411598089 /nfs/dbraw/zinc/59/80/89/411598089.db2.gz CSKLBMKBFSACAF-UHFFFAOYSA-N 2 1 200.370 2.352 20 0 BEADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC3CCC3)C2)C1 ZINC000660616333 411608175 /nfs/dbraw/zinc/60/81/75/411608175.db2.gz JWEFADYYSQOHJG-CQSZACIVSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC3CCC3)C2)C1 ZINC000660616333 411608176 /nfs/dbraw/zinc/60/81/76/411608176.db2.gz JWEFADYYSQOHJG-CQSZACIVSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC3CCC3)C2)C1 ZINC000660616333 411608178 /nfs/dbraw/zinc/60/81/78/411608178.db2.gz JWEFADYYSQOHJG-CQSZACIVSA-N 2 1 222.376 2.204 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CCCSCC2)CC1 ZINC000657827347 411608495 /nfs/dbraw/zinc/60/84/95/411608495.db2.gz ZIUBIOKDXALJIH-GFCCVEGCSA-N 2 1 242.432 2.346 20 0 BEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCCSCC1)C1CC1 ZINC000657843353 411610607 /nfs/dbraw/zinc/61/06/07/411610607.db2.gz DYZUORQYRVVDCT-CHWSQXEVSA-N 2 1 242.432 2.202 20 0 BEADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCCSCC1)C1CC1 ZINC000657843357 411610648 /nfs/dbraw/zinc/61/06/48/411610648.db2.gz DYZUORQYRVVDCT-OLZOCXBDSA-N 2 1 242.432 2.202 20 0 BEADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC000660641819 411611289 /nfs/dbraw/zinc/61/12/89/411611289.db2.gz KCJUWGWFDFABCX-QKPAOTATSA-N 2 1 248.414 2.450 20 0 BEADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC000660641819 411611291 /nfs/dbraw/zinc/61/12/91/411611291.db2.gz KCJUWGWFDFABCX-QKPAOTATSA-N 2 1 248.414 2.450 20 0 BEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC000660641819 411611292 /nfs/dbraw/zinc/61/12/92/411611292.db2.gz KCJUWGWFDFABCX-QKPAOTATSA-N 2 1 248.414 2.450 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CC(CF)(CF)C1 ZINC000657865753 411613433 /nfs/dbraw/zinc/61/34/33/411613433.db2.gz CNXLWMGJTZENRT-NSHDSACASA-N 2 1 248.361 2.394 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CC(CF)(CF)C1 ZINC000657865753 411613436 /nfs/dbraw/zinc/61/34/36/411613436.db2.gz CNXLWMGJTZENRT-NSHDSACASA-N 2 1 248.361 2.394 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657865443 411613900 /nfs/dbraw/zinc/61/39/00/411613900.db2.gz YETXGKVMTDCDNQ-SECBINFHSA-N 2 1 245.317 2.461 20 0 BEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C1CCCC1)C2 ZINC000660656943 411614128 /nfs/dbraw/zinc/61/41/28/411614128.db2.gz BYOFMRWESVDABG-CQSZACIVSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C1CCCC1)C2 ZINC000660656943 411614130 /nfs/dbraw/zinc/61/41/30/411614130.db2.gz BYOFMRWESVDABG-CQSZACIVSA-N 2 1 222.376 2.347 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CC(CF)(CF)C1 ZINC000657873853 411614694 /nfs/dbraw/zinc/61/46/94/411614694.db2.gz ZPDOPXKJDYUWJE-NSHDSACASA-N 2 1 248.361 2.394 20 0 BEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC1CC1)C2 ZINC000660657799 411615357 /nfs/dbraw/zinc/61/53/57/411615357.db2.gz AJAUEZKLBFLDMT-CQSZACIVSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC1CC1)C2 ZINC000660657799 411615358 /nfs/dbraw/zinc/61/53/58/411615358.db2.gz AJAUEZKLBFLDMT-CQSZACIVSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC000660657799 411615360 /nfs/dbraw/zinc/61/53/60/411615360.db2.gz AJAUEZKLBFLDMT-CQSZACIVSA-N 2 1 222.376 2.204 20 0 BEADMP c1cc2c(cc[nH+]c2N[C@@H]2CC[N@H+](C3CC3)C2)[nH]1 ZINC000663424985 411656008 /nfs/dbraw/zinc/65/60/08/411656008.db2.gz MZNMKMKRVYMFJN-SNVBAGLBSA-N 2 1 242.326 2.212 20 0 BEADMP C[C@@H]1C[C@H](Nc2[nH+]ccc3[nH]ccc32)CC[N@H+]1C ZINC000663661907 411717166 /nfs/dbraw/zinc/71/71/66/411717166.db2.gz SJPBDBIHJHHKHK-GHMZBOCLSA-N 2 1 244.342 2.458 20 0 BEADMP C[C@@H]1C[C@@H](Nc2[nH+]ccc3[nH]ccc32)CC[N@H+]1C ZINC000663661909 411717662 /nfs/dbraw/zinc/71/76/62/411717662.db2.gz SJPBDBIHJHHKHK-MNOVXSKESA-N 2 1 244.342 2.458 20 0 BEADMP C[C@@]1(C[N@@H+](CCC2CC2)CC2CC2)CC[NH2+]C1 ZINC000663502228 411685175 /nfs/dbraw/zinc/68/51/75/411685175.db2.gz FXFWMEDGDOBNRY-OAHLLOKOSA-N 2 1 236.403 2.498 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000663510184 411691429 /nfs/dbraw/zinc/69/14/29/411691429.db2.gz CQIYDFMYWMCUDB-GHMZBOCLSA-N 2 1 240.778 2.469 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000663513776 411694224 /nfs/dbraw/zinc/69/42/24/411694224.db2.gz MHZAVKDDWITFJG-QWRGUYRKSA-N 2 1 224.323 2.127 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)Cc1ccccc1C ZINC000663512682 411695919 /nfs/dbraw/zinc/69/59/19/411695919.db2.gz HIUYGSCODOEHBR-CHWSQXEVSA-N 2 1 220.360 2.124 20 0 BEADMP CC(C)[N@@H+](C)CCNc1[nH+]ccc2[nH]ccc21 ZINC000663523335 411696442 /nfs/dbraw/zinc/69/64/42/411696442.db2.gz WKOLMYMTEWFHJN-UHFFFAOYSA-N 2 1 232.331 2.315 20 0 BEADMP C[N@@H+](CCOC(C)(C)C)CCC1CC[NH2+]CC1 ZINC000133722642 411920174 /nfs/dbraw/zinc/92/01/74/411920174.db2.gz HDDJIPJNPDHWOK-UHFFFAOYSA-N 2 1 242.407 2.123 20 0 BEADMP CC(C)CC1([NH2+]CCc2c[nH+]cn2C)CC1 ZINC000662066695 411970301 /nfs/dbraw/zinc/97/03/01/411970301.db2.gz QDAFZPITZPRRDM-UHFFFAOYSA-N 2 1 221.348 2.131 20 0 BEADMP C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)C1CCC1 ZINC000662234205 412033115 /nfs/dbraw/zinc/03/31/15/412033115.db2.gz JQQDRIZFMDSKBH-UHFFFAOYSA-N 2 1 222.376 2.393 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC000662237869 412034868 /nfs/dbraw/zinc/03/48/68/412034868.db2.gz KYTDOXPGTDZRDJ-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000662235257 412035304 /nfs/dbraw/zinc/03/53/04/412035304.db2.gz OXQHWCMUAHKRRT-UWVGGRQHSA-N 2 1 220.307 2.091 20 0 BEADMP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000662235257 412035307 /nfs/dbraw/zinc/03/53/07/412035307.db2.gz OXQHWCMUAHKRRT-UWVGGRQHSA-N 2 1 220.307 2.091 20 0 BEADMP CO[C@@H](C[N@@H+]1CCCC[C@@H]1C[NH3+])C1CCCC1 ZINC000662243065 412038680 /nfs/dbraw/zinc/03/86/80/412038680.db2.gz KZSLIZCLMUVDCY-KGLIPLIRSA-N 2 1 240.391 2.005 20 0 BEADMP CO[C@@H](C[N@H+]1CCCC[C@@H]1C[NH3+])C1CCCC1 ZINC000662243065 412038682 /nfs/dbraw/zinc/03/86/82/412038682.db2.gz KZSLIZCLMUVDCY-KGLIPLIRSA-N 2 1 240.391 2.005 20 0 BEADMP CO[C@H](C[N@@H+]1CCCC[C@H]1C[NH3+])C1CCCC1 ZINC000662243066 412040035 /nfs/dbraw/zinc/04/00/35/412040035.db2.gz KZSLIZCLMUVDCY-UONOGXRCSA-N 2 1 240.391 2.005 20 0 BEADMP CO[C@H](C[N@H+]1CCCC[C@H]1C[NH3+])C1CCCC1 ZINC000662243066 412040043 /nfs/dbraw/zinc/04/00/43/412040043.db2.gz KZSLIZCLMUVDCY-UONOGXRCSA-N 2 1 240.391 2.005 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000662246332 412042640 /nfs/dbraw/zinc/04/26/40/412042640.db2.gz SNBQWSCNHOJCEY-NXEZZACHSA-N 2 1 220.307 2.091 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000662246332 412042641 /nfs/dbraw/zinc/04/26/41/412042641.db2.gz SNBQWSCNHOJCEY-NXEZZACHSA-N 2 1 220.307 2.091 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000336674092 171044763 /nfs/dbraw/zinc/04/47/63/171044763.db2.gz BELJYUAMSPQHLR-RFGFWPKPSA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000336674092 171044765 /nfs/dbraw/zinc/04/47/65/171044765.db2.gz BELJYUAMSPQHLR-RFGFWPKPSA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336721491 171044900 /nfs/dbraw/zinc/04/49/00/171044900.db2.gz DRDUXMAHICCGMP-LPWJVIDDSA-N 2 1 210.365 2.247 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336721491 171044905 /nfs/dbraw/zinc/04/49/05/171044905.db2.gz DRDUXMAHICCGMP-LPWJVIDDSA-N 2 1 210.365 2.247 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000309090177 171045821 /nfs/dbraw/zinc/04/58/21/171045821.db2.gz BXABFRUWHKBKTL-UPJWGTAASA-N 2 1 212.381 2.493 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000309090177 171045825 /nfs/dbraw/zinc/04/58/25/171045825.db2.gz BXABFRUWHKBKTL-UPJWGTAASA-N 2 1 212.381 2.493 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336738334 171057552 /nfs/dbraw/zinc/05/75/52/171057552.db2.gz OBQQLLZWKNRXDS-BXUZGUMPSA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000336742132 171057937 /nfs/dbraw/zinc/05/79/37/171057937.db2.gz WKTZTEFNQWJFBE-DGCLKSJQSA-N 2 1 210.365 2.249 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662275673 412067433 /nfs/dbraw/zinc/06/74/33/412067433.db2.gz GOTHZYNNRPPINK-ARILJUKYSA-N 2 1 234.387 2.106 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662275673 412067434 /nfs/dbraw/zinc/06/74/34/412067434.db2.gz GOTHZYNNRPPINK-ARILJUKYSA-N 2 1 234.387 2.106 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000662276245 412068878 /nfs/dbraw/zinc/06/88/78/412068878.db2.gz HRBSIHWPJVXKFU-PLJUSGQGSA-N 2 1 236.403 2.399 20 0 BEADMP CO[C@H](C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C)C1CCCCC1 ZINC000662277871 412069896 /nfs/dbraw/zinc/06/98/96/412069896.db2.gz SRHZOGUAYRBRGN-FPMFFAJLSA-N 2 1 240.391 2.003 20 0 BEADMP CO[C@H](C[N@H+]1CC[C@H]([NH3+])[C@@H]1C)C1CCCCC1 ZINC000662277871 412069899 /nfs/dbraw/zinc/06/98/99/412069899.db2.gz SRHZOGUAYRBRGN-FPMFFAJLSA-N 2 1 240.391 2.003 20 0 BEADMP CC(C)=CCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000662282663 412073549 /nfs/dbraw/zinc/07/35/49/412073549.db2.gz PRRMRGUIPJKGAF-OLZOCXBDSA-N 2 1 210.365 2.259 20 0 BEADMP CC[C@H](C)C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000336650932 171273751 /nfs/dbraw/zinc/27/37/51/171273751.db2.gz UJUOMSXISXUJSO-YNEHKIRRSA-N 2 1 212.381 2.305 20 0 BEADMP CC[C@H](C)C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000336650932 171273745 /nfs/dbraw/zinc/27/37/45/171273745.db2.gz UJUOMSXISXUJSO-YNEHKIRRSA-N 2 1 212.381 2.305 20 0 BEADMP CC[C@H](C)C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000336650932 171273747 /nfs/dbraw/zinc/27/37/47/171273747.db2.gz UJUOMSXISXUJSO-YNEHKIRRSA-N 2 1 212.381 2.305 20 0 BEADMP CC[C@H](C)C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000336650932 171273749 /nfs/dbraw/zinc/27/37/49/171273749.db2.gz UJUOMSXISXUJSO-YNEHKIRRSA-N 2 1 212.381 2.305 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000336686532 171281410 /nfs/dbraw/zinc/28/14/10/171281410.db2.gz WNVIOSPCKKQOTF-BFHYXJOUSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@H](C)C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000336686532 171281412 /nfs/dbraw/zinc/28/14/12/171281412.db2.gz WNVIOSPCKKQOTF-BFHYXJOUSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@H](C)C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000336686532 171281414 /nfs/dbraw/zinc/28/14/14/171281414.db2.gz WNVIOSPCKKQOTF-BFHYXJOUSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@H](C)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037485296 171285472 /nfs/dbraw/zinc/28/54/72/171285472.db2.gz GBTOSBZJTUUTDM-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000309220314 171286520 /nfs/dbraw/zinc/28/65/20/171286520.db2.gz VDABTMBQWNUWGD-YNEHKIRRSA-N 2 1 212.381 2.352 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1cccc2ncccc12 ZINC000662294954 412084261 /nfs/dbraw/zinc/08/42/61/412084261.db2.gz INLSVMTVKWKMIE-UHFFFAOYSA-N 2 1 243.354 2.276 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CC[C@H]1CC ZINC000309176731 171307965 /nfs/dbraw/zinc/30/79/65/171307965.db2.gz MZDCAGBXUCASBM-XQQFMLRXSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CC[C@H]1CC ZINC000309176731 171307966 /nfs/dbraw/zinc/30/79/66/171307966.db2.gz MZDCAGBXUCASBM-XQQFMLRXSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CC[C@H]1CC ZINC000309176733 171308304 /nfs/dbraw/zinc/30/83/04/171308304.db2.gz MZDCAGBXUCASBM-YNEHKIRRSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@H]1CC ZINC000309176733 171308305 /nfs/dbraw/zinc/30/83/05/171308305.db2.gz MZDCAGBXUCASBM-YNEHKIRRSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000361173608 171339997 /nfs/dbraw/zinc/33/99/97/171339997.db2.gz JWLTYZXZJSLAKL-ZDUSSCGKSA-N 2 1 240.391 2.020 20 0 BEADMP CC[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000167307343 171341386 /nfs/dbraw/zinc/34/13/86/171341386.db2.gz DMQWULWDXFDCLB-MNOVXSKESA-N 2 1 209.337 2.216 20 0 BEADMP FCCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293047 412080315 /nfs/dbraw/zinc/08/03/15/412080315.db2.gz IYQKPTRUHJANFF-ZDUSSCGKSA-N 2 1 228.355 2.058 20 0 BEADMP C[C@H]([NH3+])C[N@@H+]1CCc2ccccc2C(C)(C)C1 ZINC000662299012 412087265 /nfs/dbraw/zinc/08/72/65/412087265.db2.gz INXMGHWZXGPFHP-LBPRGKRZSA-N 2 1 232.371 2.170 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CCc2ccccc2C(C)(C)C1 ZINC000662299012 412087268 /nfs/dbraw/zinc/08/72/68/412087268.db2.gz INXMGHWZXGPFHP-LBPRGKRZSA-N 2 1 232.371 2.170 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000662305363 412090354 /nfs/dbraw/zinc/09/03/54/412090354.db2.gz GFAUVCRMZADUSQ-WCQYABFASA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1CCC[N@@H+](Cc2ccccn2)[C@@H]1CCC[NH3+] ZINC000662311525 412094376 /nfs/dbraw/zinc/09/43/76/412094376.db2.gz BPCZYKDOVDUGLV-UKRRQHHQSA-N 2 1 247.386 2.421 20 0 BEADMP CC[C@@H](C)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319150 412098500 /nfs/dbraw/zinc/09/85/00/412098500.db2.gz FMIAHFDZJBGLFE-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP CC(C)CC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319934 412098538 /nfs/dbraw/zinc/09/85/38/412098538.db2.gz QWXRRTRVUVYXFJ-CQSZACIVSA-N 2 1 242.407 2.075 20 0 BEADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCc2ccccc21 ZINC000662322544 412100817 /nfs/dbraw/zinc/10/08/17/412100817.db2.gz NAFDBNYXEDMZFS-HIFRSBDPSA-N 2 1 244.382 2.258 20 0 BEADMP c1ccc(C23CC(C2)C[N@@H+]3C[C@H]2CC[NH2+]C2)cc1 ZINC000662328526 412104265 /nfs/dbraw/zinc/10/42/65/412104265.db2.gz RPPAUNBWWAEVMH-HLIUYOAVSA-N 2 1 242.366 2.217 20 0 BEADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@H]1CC1(C)C ZINC000662345686 412115905 /nfs/dbraw/zinc/11/59/05/412115905.db2.gz LCEFZRZFNCCBPN-CHWSQXEVSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@H]1CC1(C)C ZINC000662345686 412115908 /nfs/dbraw/zinc/11/59/08/412115908.db2.gz LCEFZRZFNCCBPN-CHWSQXEVSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@H]1CC1(C)C ZINC000662345686 412115912 /nfs/dbraw/zinc/11/59/12/412115912.db2.gz LCEFZRZFNCCBPN-CHWSQXEVSA-N 2 1 224.392 2.449 20 0 BEADMP Cc1ccncc1CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000665239773 412180925 /nfs/dbraw/zinc/18/09/25/412180925.db2.gz YYFJFYOZMIICTA-UKRRQHHQSA-N 2 1 247.386 2.053 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1c[nH+]ccc1N ZINC000665264596 412206709 /nfs/dbraw/zinc/20/67/09/412206709.db2.gz DGKXGNLWJLTTRR-UTUOFQBUSA-N 2 1 249.358 2.102 20 0 BEADMP C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000665264631 412207097 /nfs/dbraw/zinc/20/70/97/412207097.db2.gz FCYFZUNQTSKRIC-GARJFASQSA-N 2 1 232.318 2.152 20 0 BEADMP C[C@H]([NH2+]C[C@]1(C)CC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000665264630 412207396 /nfs/dbraw/zinc/20/73/96/412207396.db2.gz FCYFZUNQTSKRIC-DCAQKATOSA-N 2 1 232.318 2.152 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1c[nH+]ccc1N ZINC000665264594 412207611 /nfs/dbraw/zinc/20/76/11/412207611.db2.gz DGKXGNLWJLTTRR-GRYCIOLGSA-N 2 1 249.358 2.102 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)[C@@H]1CCCC[NH2+]1 ZINC000665264668 412207719 /nfs/dbraw/zinc/20/77/19/412207719.db2.gz FUDDMIOWWIUZMM-MQYQWHSLSA-N 2 1 240.391 2.064 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000665274068 412216060 /nfs/dbraw/zinc/21/60/60/412216060.db2.gz JGGNYLPYFMQJDO-GARJFASQSA-N 2 1 246.345 2.398 20 0 BEADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277682 412221040 /nfs/dbraw/zinc/22/10/40/412221040.db2.gz IHGKTNIDOJZQRQ-NPICMGTBSA-N 2 1 242.366 2.262 20 0 BEADMP C[C@@H]([NH2+]CCCc1ccco1)c1c[nH+]ccc1N ZINC000665283403 412230033 /nfs/dbraw/zinc/23/00/33/412230033.db2.gz NFVXTNITLAWTLD-LLVKDONJSA-N 2 1 245.326 2.371 20 0 BEADMP CCCCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C[NH2+]C)C1(C)C ZINC000665296062 412243246 /nfs/dbraw/zinc/24/32/46/412243246.db2.gz MIRCPBADMWICJM-YNEHKIRRSA-N 2 1 242.407 2.168 20 0 BEADMP CC[C@@H](Cc1cccs1)[NH2+][C@@H](C)C[NH2+]C ZINC000665295512 412243506 /nfs/dbraw/zinc/24/35/06/412243506.db2.gz FJOJHIRSAXOBDH-QWRGUYRKSA-N 2 1 226.389 2.267 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000665298431 412246856 /nfs/dbraw/zinc/24/68/56/412246856.db2.gz VXONITORHYNHEC-WDEREUQCSA-N 2 1 200.370 2.399 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccccc2)CC1 ZINC000076647102 173021373 /nfs/dbraw/zinc/02/13/73/173021373.db2.gz UNVBVZINQUNNCC-CQSZACIVSA-N 2 1 218.344 2.261 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1C1CC1 ZINC000371205637 173028698 /nfs/dbraw/zinc/02/86/98/173028698.db2.gz UFPOVXQRKAGYNL-KGLIPLIRSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1C1CC1 ZINC000371205637 173028700 /nfs/dbraw/zinc/02/87/00/173028700.db2.gz UFPOVXQRKAGYNL-KGLIPLIRSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1C1CC1 ZINC000371205637 173028704 /nfs/dbraw/zinc/02/87/04/173028704.db2.gz UFPOVXQRKAGYNL-KGLIPLIRSA-N 2 1 222.376 2.345 20 0 BEADMP C[N@H+]1CCC[C@@H]2C[NH+](C3CCCC3)CC[C@@H]21 ZINC000120117657 173036392 /nfs/dbraw/zinc/03/63/92/173036392.db2.gz PYGVYQQLMWTVOK-OCCSQVGLSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCCC3)CC[C@@H]21 ZINC000120117657 173036393 /nfs/dbraw/zinc/03/63/93/173036393.db2.gz PYGVYQQLMWTVOK-OCCSQVGLSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@H+](C3CCCC3)CC[C@@H]21 ZINC000120117657 173036395 /nfs/dbraw/zinc/03/63/95/173036395.db2.gz PYGVYQQLMWTVOK-OCCSQVGLSA-N 2 1 222.376 2.345 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000044534109 173040338 /nfs/dbraw/zinc/04/03/38/173040338.db2.gz ACWIQGVZQNTNBK-CQSZACIVSA-N 2 1 218.344 2.118 20 0 BEADMP C[N@H+]1CCC[C@H]2C[NH+](CC3CCC3)CC[C@H]21 ZINC000336585047 173059931 /nfs/dbraw/zinc/05/99/31/173059931.db2.gz BIGZDHSREYJGTI-UONOGXRCSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@H+](CC3CCC3)CC[C@H]21 ZINC000336585047 173059932 /nfs/dbraw/zinc/05/99/32/173059932.db2.gz BIGZDHSREYJGTI-UONOGXRCSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3CCC3)CC[C@H]21 ZINC000336585047 173059935 /nfs/dbraw/zinc/05/99/35/173059935.db2.gz BIGZDHSREYJGTI-UONOGXRCSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CC=CCC3)[C@@H]2C1 ZINC000352929409 173134425 /nfs/dbraw/zinc/13/44/25/173134425.db2.gz GVPMIYGPRGPROQ-RBSFLKMASA-N 2 1 234.387 2.369 20 0 BEADMP C[N@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CC=CCC3)[C@@H]2C1 ZINC000352929409 173134427 /nfs/dbraw/zinc/13/44/27/173134427.db2.gz GVPMIYGPRGPROQ-RBSFLKMASA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1CC[C@@H]2CC[N@H+](C[C@@H]3CC=CCC3)[C@@H]2C1 ZINC000352929409 173134430 /nfs/dbraw/zinc/13/44/30/173134430.db2.gz GVPMIYGPRGPROQ-RBSFLKMASA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@@H]3CC=CCC3)[C@@H]2C1 ZINC000352929409 173134432 /nfs/dbraw/zinc/13/44/32/173134432.db2.gz GVPMIYGPRGPROQ-RBSFLKMASA-N 2 1 234.387 2.369 20 0 BEADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccsc3)C2)C1 ZINC000292882644 173140540 /nfs/dbraw/zinc/14/05/40/173140540.db2.gz XWTSNUJAZRJTFO-CYBMUJFWSA-N 2 1 236.384 2.276 20 0 BEADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccsc3)C2)C1 ZINC000292882644 173140543 /nfs/dbraw/zinc/14/05/43/173140543.db2.gz XWTSNUJAZRJTFO-CYBMUJFWSA-N 2 1 236.384 2.276 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000292882644 173140545 /nfs/dbraw/zinc/14/05/45/173140545.db2.gz XWTSNUJAZRJTFO-CYBMUJFWSA-N 2 1 236.384 2.276 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000292882644 173140548 /nfs/dbraw/zinc/14/05/48/173140548.db2.gz XWTSNUJAZRJTFO-CYBMUJFWSA-N 2 1 236.384 2.276 20 0 BEADMP C[NH2+]CCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000042409653 173346988 /nfs/dbraw/zinc/34/69/88/173346988.db2.gz QFWJZBGJOJTABE-QWHCGFSZSA-N 2 1 210.365 2.108 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000011888686 173367822 /nfs/dbraw/zinc/36/78/22/173367822.db2.gz NBDZLTAQQKGRPX-HNNXBMFYSA-N 2 1 232.371 2.426 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000011888747 173368027 /nfs/dbraw/zinc/36/80/27/173368027.db2.gz CGUFHDNUVGEMBA-AWEZNQCLSA-N 2 1 248.370 2.127 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000011888747 173368029 /nfs/dbraw/zinc/36/80/29/173368029.db2.gz CGUFHDNUVGEMBA-AWEZNQCLSA-N 2 1 248.370 2.127 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCc1ccccc1 ZINC000019933377 173368722 /nfs/dbraw/zinc/36/87/22/173368722.db2.gz ODHLWWDBQSRVOF-HNNXBMFYSA-N 2 1 232.371 2.303 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCCc1ccccc1 ZINC000019933377 173368724 /nfs/dbraw/zinc/36/87/24/173368724.db2.gz ODHLWWDBQSRVOF-HNNXBMFYSA-N 2 1 232.371 2.303 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(C)sc2C)C1 ZINC000070798766 173370614 /nfs/dbraw/zinc/37/06/14/173370614.db2.gz MJNQEDSYKDMNMV-LBPRGKRZSA-N 2 1 238.400 2.406 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000011891910 173370981 /nfs/dbraw/zinc/37/09/81/173370981.db2.gz MUPCTGVRWFSYKH-AWEZNQCLSA-N 2 1 218.344 2.036 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000221275590 173371308 /nfs/dbraw/zinc/37/13/08/173371308.db2.gz SSYYRUZYGDJCRT-STQMWFEESA-N 2 1 248.370 2.298 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000011888711 173378498 /nfs/dbraw/zinc/37/84/98/173378498.db2.gz KZVNEWWBHPNHBO-CYBMUJFWSA-N 2 1 236.334 2.257 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000011888711 173378500 /nfs/dbraw/zinc/37/85/00/173378500.db2.gz KZVNEWWBHPNHBO-CYBMUJFWSA-N 2 1 236.334 2.257 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000071142025 173381457 /nfs/dbraw/zinc/38/14/57/173381457.db2.gz SYLPMUSGNSFYLM-GFCCVEGCSA-N 2 1 244.338 2.474 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000071142025 173381458 /nfs/dbraw/zinc/38/14/58/173381458.db2.gz SYLPMUSGNSFYLM-GFCCVEGCSA-N 2 1 244.338 2.474 20 0 BEADMP COC1CCC([NH2+][C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000310409888 174023368 /nfs/dbraw/zinc/02/33/68/174023368.db2.gz ITCKJJOOCDRYGE-HSBZDZAISA-N 2 1 242.407 2.262 20 0 BEADMP COC1CCC([NH2+][C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000310409888 174023371 /nfs/dbraw/zinc/02/33/71/174023371.db2.gz ITCKJJOOCDRYGE-HSBZDZAISA-N 2 1 242.407 2.262 20 0 BEADMP COCCCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310228571 174183169 /nfs/dbraw/zinc/18/31/69/174183169.db2.gz HBXVWPJBWQBNKS-UHFFFAOYSA-N 2 1 240.391 2.020 20 0 BEADMP COCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000359944538 174263816 /nfs/dbraw/zinc/26/38/16/174263816.db2.gz VILHCHVYAXLTLS-MJBXVCDLSA-N 2 1 240.391 2.018 20 0 BEADMP COCCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000359944538 174263817 /nfs/dbraw/zinc/26/38/17/174263817.db2.gz VILHCHVYAXLTLS-MJBXVCDLSA-N 2 1 240.391 2.018 20 0 BEADMP COc1ccc(C)cc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044530037 175075104 /nfs/dbraw/zinc/07/51/04/175075104.db2.gz IYAXYRIEBWOIBS-ZDUSSCGKSA-N 2 1 248.370 2.174 20 0 BEADMP COc1ccc(CCC[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000019933306 175090045 /nfs/dbraw/zinc/09/00/45/175090045.db2.gz GRBXTFZTNHLFHL-CQSZACIVSA-N 2 1 248.370 2.051 20 0 BEADMP COc1ccc(CCC[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000019933306 175090047 /nfs/dbraw/zinc/09/00/47/175090047.db2.gz GRBXTFZTNHLFHL-CQSZACIVSA-N 2 1 248.370 2.051 20 0 BEADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000090720843 175112044 /nfs/dbraw/zinc/11/20/44/175112044.db2.gz ZEPDVHIRKNEXMG-OCCSQVGLSA-N 2 1 248.370 2.268 20 0 BEADMP COc1cccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000111695793 175258746 /nfs/dbraw/zinc/25/87/46/175258746.db2.gz GUWXPNDUXZQJOC-OCCSQVGLSA-N 2 1 248.370 2.254 20 0 BEADMP COc1cccc(C[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000075778003 175258767 /nfs/dbraw/zinc/25/87/67/175258767.db2.gz FDQVTMVPDHIXLQ-AWEZNQCLSA-N 2 1 248.370 2.399 20 0 BEADMP COc1cccc([C@@H](C)[NH2+]CCC[NH+](C)C)c1 ZINC000019958652 175287220 /nfs/dbraw/zinc/28/72/20/175287220.db2.gz HIISXGUDQWRRSP-GFCCVEGCSA-N 2 1 236.359 2.298 20 0 BEADMP COc1cccc([C@H](C)[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000226537924 175292153 /nfs/dbraw/zinc/29/21/53/175292153.db2.gz HLUMIFWZKIFFGL-MBNYWOFBSA-N 2 1 248.370 2.425 20 0 BEADMP COc1cccc([C@H](C)[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000044527653 175292248 /nfs/dbraw/zinc/29/22/48/175292248.db2.gz RRFGCTKXUIJSCM-QWHCGFSZSA-N 2 1 248.370 2.427 20 0 BEADMP COc1ccccc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000113655520 175326971 /nfs/dbraw/zinc/32/69/71/175326971.db2.gz KWZVMWUXGYEKGM-OLZOCXBDSA-N 2 1 248.370 2.254 20 0 BEADMP COc1ccccc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049551757 175330321 /nfs/dbraw/zinc/33/03/21/175330321.db2.gz LYEOKAVITOZYSU-LBPRGKRZSA-N 2 1 236.359 2.125 20 0 BEADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(F)c(F)c1 ZINC000342139322 175867560 /nfs/dbraw/zinc/86/75/60/175867560.db2.gz PXFHFHNSCOTDJU-SECBINFHSA-N 2 1 240.297 2.497 20 0 BEADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224200877 176014823 /nfs/dbraw/zinc/01/48/23/176014823.db2.gz VVTQYIZTDJMBKI-UWVGGRQHSA-N 2 1 240.297 2.306 20 0 BEADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224200877 176014825 /nfs/dbraw/zinc/01/48/25/176014825.db2.gz VVTQYIZTDJMBKI-UWVGGRQHSA-N 2 1 240.297 2.306 20 0 BEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000083008667 176022269 /nfs/dbraw/zinc/02/22/69/176022269.db2.gz VUQMMBROUBKCLF-STQMWFEESA-N 2 1 218.344 2.418 20 0 BEADMP C[C@@H](c1cccnc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000265915997 176028819 /nfs/dbraw/zinc/02/88/19/176028819.db2.gz BISOGZVZYBOYSU-UONOGXRCSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@@H](c1cccnc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000265915997 176028821 /nfs/dbraw/zinc/02/88/21/176028821.db2.gz BISOGZVZYBOYSU-UONOGXRCSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@@H](c1cccnc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000265915997 176028823 /nfs/dbraw/zinc/02/88/23/176028823.db2.gz BISOGZVZYBOYSU-UONOGXRCSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@@H](c1cccnc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000265915997 176028824 /nfs/dbraw/zinc/02/88/24/176028824.db2.gz BISOGZVZYBOYSU-UONOGXRCSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@@H]1CCCC[N@@H+]1C[C@H]([NH3+])Cc1ccccc1 ZINC000037115944 176072968 /nfs/dbraw/zinc/07/29/68/176072968.db2.gz FJMATLUPPQTNFD-UKRRQHHQSA-N 2 1 232.371 2.431 20 0 BEADMP C[C@@H]1CCCC[N@H+]1C[C@H]([NH3+])Cc1ccccc1 ZINC000037115944 176072969 /nfs/dbraw/zinc/07/29/69/176072969.db2.gz FJMATLUPPQTNFD-UKRRQHHQSA-N 2 1 232.371 2.431 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357045030 176076187 /nfs/dbraw/zinc/07/61/87/176076187.db2.gz HMEVJWXMEMXBFD-KBUPBQIOSA-N 2 1 236.403 2.354 20 0 BEADMP C[C@@H]1CCCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000309819640 176088521 /nfs/dbraw/zinc/08/85/21/176088521.db2.gz WBJZRQZYJNLVIB-DGCLKSJQSA-N 2 1 221.348 2.131 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000309769225 176123153 /nfs/dbraw/zinc/12/31/53/176123153.db2.gz KCHPGNKXHCYYBZ-TZMCWYRMSA-N 2 1 222.376 2.417 20 0 BEADMP C[C@@H]1CCC[C@@](C[NH2+]CC2CC2)([NH+](C)C)C1 ZINC000040668769 176133822 /nfs/dbraw/zinc/13/38/22/176133822.db2.gz RIFCQHIKZPDRRE-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CCC[C@H](CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000359294844 176136787 /nfs/dbraw/zinc/13/67/87/176136787.db2.gz AUVFLLAFSVICSF-TUVASFSCSA-N 2 1 236.403 2.354 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000163392335 176173537 /nfs/dbraw/zinc/17/35/37/176173537.db2.gz FEBDUFSVLGLESC-YPMHNXCESA-N 2 1 236.334 2.242 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000120434967 176268757 /nfs/dbraw/zinc/26/87/57/176268757.db2.gz ZQMWPIMOALWDCD-AGIUHOORSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000304519487 176269169 /nfs/dbraw/zinc/26/91/69/176269169.db2.gz PEYPHDYBPMHZBG-AGIUHOORSA-N 2 1 242.432 2.059 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCCS1 ZINC000336781262 176269298 /nfs/dbraw/zinc/26/92/98/176269298.db2.gz UEXONEOUPWBHFP-UPJWGTAASA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCC1(C)C ZINC000308838236 176270382 /nfs/dbraw/zinc/27/03/82/176270382.db2.gz METDLQFUNQPELY-UTUOFQBUSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCC1(C)C ZINC000308838236 176270383 /nfs/dbraw/zinc/27/03/83/176270383.db2.gz METDLQFUNQPELY-UTUOFQBUSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000302212482 176270429 /nfs/dbraw/zinc/27/04/29/176270429.db2.gz XWTJNLFAVVKOJY-GRYCIOLGSA-N 2 1 246.345 2.352 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)C ZINC000040492884 176277968 /nfs/dbraw/zinc/27/79/68/176277968.db2.gz ZERYNCXKMOEEKK-UTUOFQBUSA-N 2 1 212.381 2.351 20 0 BEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000340525355 176278147 /nfs/dbraw/zinc/27/81/47/176278147.db2.gz GWPMVDISSALGBP-KVSVUVNWSA-N 2 1 228.355 2.195 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000340525355 176278149 /nfs/dbraw/zinc/27/81/49/176278149.db2.gz GWPMVDISSALGBP-KVSVUVNWSA-N 2 1 228.355 2.195 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCC1(C)C ZINC000309218654 176278161 /nfs/dbraw/zinc/27/81/61/176278161.db2.gz PYWUDQVXWOJGAQ-NDBYEHHHSA-N 2 1 224.392 2.493 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCCF ZINC000336713682 176278300 /nfs/dbraw/zinc/27/83/00/176278300.db2.gz VSEKDGSSWCAMSE-UTUOFQBUSA-N 2 1 216.344 2.054 20 0 BEADMP C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)CC[C@@H]1[NH3+] ZINC000094342202 176279668 /nfs/dbraw/zinc/27/96/68/176279668.db2.gz YMPMBDKWTYYQOB-JGOVJGDKSA-N 2 1 230.355 2.369 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCC1(C)C ZINC000309218648 176279941 /nfs/dbraw/zinc/27/99/41/176279941.db2.gz PYWUDQVXWOJGAQ-FDYHWXHSSA-N 2 1 224.392 2.493 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CC1(C)C ZINC000300359326 176280351 /nfs/dbraw/zinc/28/03/51/176280351.db2.gz OHJGLPWHFQIFKO-FVCCEPFGSA-N 2 1 224.392 2.351 20 0 BEADMP C[C@@H]1C[N@@H+](CCCCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000124394350 176288230 /nfs/dbraw/zinc/28/82/30/176288230.db2.gz VLNOUDCBJMRPLB-ZJUUUORDSA-N 2 1 238.297 2.388 20 0 BEADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)C(C)(C)C1 ZINC000336538745 176288451 /nfs/dbraw/zinc/28/84/51/176288451.db2.gz MAXCZRNLHWNUIO-LBPRGKRZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC000336650833 176293421 /nfs/dbraw/zinc/29/34/21/176293421.db2.gz TYIXCIYRMDZWGD-JHJVBQTASA-N 2 1 210.365 2.059 20 0 BEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251604130 176316728 /nfs/dbraw/zinc/31/67/28/176316728.db2.gz DEXULUOWZSCBAU-YRGRVCCFSA-N 2 1 218.344 2.417 20 0 BEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC1CCCCC1 ZINC000122312810 176368289 /nfs/dbraw/zinc/36/82/89/176368289.db2.gz CGUUJETWSSGYCW-YPMHNXCESA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC2CC2)CCN1C ZINC000336699515 176371568 /nfs/dbraw/zinc/37/15/68/176371568.db2.gz XQDQGVRDLOREHC-YPMHNXCESA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@@H]([NH+](C)CCC2CC2)CC[N@@H+]1C ZINC000336699515 176371570 /nfs/dbraw/zinc/37/15/70/176371570.db2.gz XQDQGVRDLOREHC-YPMHNXCESA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@@H]([NH+](C)CCC2CC2)CC[N@H+]1C ZINC000336699515 176371572 /nfs/dbraw/zinc/37/15/72/176371572.db2.gz XQDQGVRDLOREHC-YPMHNXCESA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+](C)CCC2CC2)CC[NH+]1C ZINC000336699515 176371575 /nfs/dbraw/zinc/37/15/75/176371575.db2.gz XQDQGVRDLOREHC-YPMHNXCESA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC2CC2)CC[NH+]1C ZINC000336699515 176371576 /nfs/dbraw/zinc/37/15/76/176371576.db2.gz XQDQGVRDLOREHC-YPMHNXCESA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000354178729 176391724 /nfs/dbraw/zinc/39/17/24/176391724.db2.gz XQLVYIOZKBFTPA-MGPQQGTHSA-N 2 1 222.376 2.060 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000354178729 176391725 /nfs/dbraw/zinc/39/17/25/176391725.db2.gz XQLVYIOZKBFTPA-MGPQQGTHSA-N 2 1 222.376 2.060 20 0 BEADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cccc(F)c1 ZINC000038040740 176830218 /nfs/dbraw/zinc/83/02/18/176830218.db2.gz ATXSAXSJRYXRDE-JTQLQIEISA-N 2 1 222.307 2.228 20 0 BEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000083008670 177040227 /nfs/dbraw/zinc/04/02/27/177040227.db2.gz VUQMMBROUBKCLF-OLZOCXBDSA-N 2 1 218.344 2.418 20 0 BEADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccnc1 ZINC000019912950 177074551 /nfs/dbraw/zinc/07/45/51/177074551.db2.gz HTLKCMHZUHGNQK-AWEZNQCLSA-N 2 1 247.386 2.436 20 0 BEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccnc1 ZINC000019912950 177074553 /nfs/dbraw/zinc/07/45/53/177074553.db2.gz HTLKCMHZUHGNQK-AWEZNQCLSA-N 2 1 247.386 2.436 20 0 BEADMP C[C@H]1CCC[C@H](C)C1[NH2+]C1CC[NH+](C)CC1 ZINC000037248714 177130121 /nfs/dbraw/zinc/13/01/21/177130121.db2.gz CMRQJQJBPUQJQS-RYUDHWBXSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]1CCC[C@](C[NH2+]CC2CC2)([NH+](C)C)C1 ZINC000040668775 177143883 /nfs/dbraw/zinc/14/38/83/177143883.db2.gz RIFCQHIKZPDRRE-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000059535381 177166108 /nfs/dbraw/zinc/16/61/08/177166108.db2.gz FKMJKEQHUVZBJG-JSGCOSHPSA-N 2 1 218.344 2.103 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000309050387 177239285 /nfs/dbraw/zinc/23/92/85/177239285.db2.gz PIVVJSVBOPVVLH-QNWJLWSRSA-N 2 1 210.365 2.103 20 0 BEADMP C[C@H](CC[N@H+]1C[C@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000300050415 177253721 /nfs/dbraw/zinc/25/37/21/177253721.db2.gz ZQXCVGMYELTCKF-IPYPFGDCSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@H](CC[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000300050415 177253722 /nfs/dbraw/zinc/25/37/22/177253722.db2.gz ZQXCVGMYELTCKF-IPYPFGDCSA-N 2 1 232.371 2.459 20 0 BEADMP Cc1ccncc1[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000271517584 487637691 /nfs/dbraw/zinc/63/76/91/487637691.db2.gz IVYIMFRIISJSOP-LBPRGKRZSA-N 2 1 233.359 2.135 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000336651731 177317398 /nfs/dbraw/zinc/31/73/98/177317398.db2.gz VSKQNTXYMCAYLV-AGIUHOORSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@H](C)[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000336651731 177317399 /nfs/dbraw/zinc/31/73/99/177317399.db2.gz VSKQNTXYMCAYLV-AGIUHOORSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@H](C)[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000336651731 177317402 /nfs/dbraw/zinc/31/74/02/177317402.db2.gz VSKQNTXYMCAYLV-AGIUHOORSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@H]1CCC[C@@H](C)C1 ZINC000126723836 177324726 /nfs/dbraw/zinc/32/47/26/177324726.db2.gz YCWOXAIQSXHGFV-RFGFWPKPSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@H]1C[C@@H](N(C)Cc2ccco2)CC[N@H+]1C ZINC000093643688 177326960 /nfs/dbraw/zinc/32/69/60/177326960.db2.gz RAEVLCSDKRRREY-RYUDHWBXSA-N 2 1 222.332 2.194 20 0 BEADMP C[C@H]1C[C@H](C[N@@H+](C)CC(C)(C)C)CC[NH2+]1 ZINC000235684612 177361752 /nfs/dbraw/zinc/36/17/52/177361752.db2.gz FCYPYXKPLZXTPS-NWDGAFQWSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@H]1C[C@H](C[N@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC000235697243 177362594 /nfs/dbraw/zinc/36/25/94/177362594.db2.gz HNOUVSUKFPDUMS-UONOGXRCSA-N 2 1 244.382 2.433 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000359003344 177369705 /nfs/dbraw/zinc/36/97/05/177369705.db2.gz QTAMMOKJHFZPCH-VWYCJHECSA-N 2 1 246.345 2.350 20 0 BEADMP C[C@H]1C[C@H]1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000339406332 177378956 /nfs/dbraw/zinc/37/89/56/177378956.db2.gz GEGUPNWLMMYFKQ-ZFWWWQNUSA-N 2 1 232.371 2.493 20 0 BEADMP C[C@H]1C[C@H]1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352539480 177379340 /nfs/dbraw/zinc/37/93/40/177379340.db2.gz BCUPORVVHDLWTI-JSGCOSHPSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@H]1Cc2[nH+]cn(CC3CC[NH2+]CC3)c2C[C@@H]1C ZINC000335917773 177391355 /nfs/dbraw/zinc/39/13/55/177391355.db2.gz IONMMQSEZIVWSB-RYUDHWBXSA-N 2 1 247.386 2.254 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCCCCC1 ZINC000129557529 177396860 /nfs/dbraw/zinc/39/68/60/177396860.db2.gz AREKODWKUXPTAP-DGCLKSJQSA-N 2 1 210.365 2.439 20 0 BEADMP C[C@H]1C[C@@H]1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000488320625 225371703 /nfs/dbraw/zinc/37/17/03/225371703.db2.gz MRGLOPBFEBKOIE-GXTWGEPZSA-N 2 1 247.386 2.331 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000488443245 225399268 /nfs/dbraw/zinc/39/92/68/225399268.db2.gz GIEADNHWCORHJV-SNPRPXQTSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000488443245 225399272 /nfs/dbraw/zinc/39/92/72/225399272.db2.gz GIEADNHWCORHJV-SNPRPXQTSA-N 2 1 236.403 2.497 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCOC(C)(C)C)C1 ZINC000674909264 487652232 /nfs/dbraw/zinc/65/22/32/487652232.db2.gz ZNTOTKGVDOKYLP-CYBMUJFWSA-N 2 1 242.407 2.075 20 0 BEADMP CC1(C)CCC[C@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000232771069 487652632 /nfs/dbraw/zinc/65/26/32/487652632.db2.gz IIVRMYGTVLTNKV-NWDGAFQWSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CC12CC2 ZINC000424377580 229160258 /nfs/dbraw/zinc/16/02/58/229160258.db2.gz RLLVCUIVFCRECG-FPMFFAJLSA-N 2 1 230.355 2.087 20 0 BEADMP C[C@H](C[NH2+]C[C@@H]1CCCC[NH2+]1)C(C)(C)C ZINC000162989732 487676775 /nfs/dbraw/zinc/67/67/75/487676775.db2.gz KLDBHQHUIXOIAV-NEPJUHHUSA-N 2 1 212.381 2.400 20 0 BEADMP C[N@@H+]1CC[C@H]([NH2+]C/C=C/Cl)CC1(C)C ZINC000898430119 584134038 /nfs/dbraw/zinc/13/40/38/584134038.db2.gz UXAMDJMOODIHSP-RWCYGVJQSA-N 2 1 216.756 2.201 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C/C=C/Cl)CC1(C)C ZINC000898430119 584134041 /nfs/dbraw/zinc/13/40/41/584134041.db2.gz UXAMDJMOODIHSP-RWCYGVJQSA-N 2 1 216.756 2.201 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]C[C@]1(C)CCCS1 ZINC000087793623 487687496 /nfs/dbraw/zinc/68/74/96/487687496.db2.gz ADKMYHXGRNJYRF-LBPRGKRZSA-N 2 1 239.388 2.067 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC000414838041 487693476 /nfs/dbraw/zinc/69/34/76/487693476.db2.gz YJHRLQGDOZLHCT-CHWSQXEVSA-N 2 1 212.381 2.400 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cn1 ZINC000397304646 262921418 /nfs/dbraw/zinc/92/14/18/262921418.db2.gz LYEUKELYWFBAQR-WHOFXGATSA-N 2 1 247.386 2.195 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000671743657 487718752 /nfs/dbraw/zinc/71/87/52/487718752.db2.gz GRRBHUQTUIWGHG-NMFUWQPSSA-N 2 1 236.403 2.495 20 0 BEADMP FC(F)C1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000681112206 487730950 /nfs/dbraw/zinc/73/09/50/487730950.db2.gz BTCWWZWMLVIQLK-RUJICJSRSA-N 2 1 244.329 2.247 20 0 BEADMP C(C1CCC1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250681433 487739471 /nfs/dbraw/zinc/73/94/71/487739471.db2.gz YMTNIUSCZAGENU-ZIAGYGMSSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CC1(F)F ZINC000666229559 487762434 /nfs/dbraw/zinc/76/24/34/487762434.db2.gz QXOWEWJJYUELNU-SKDRFNHKSA-N 2 1 244.329 2.247 20 0 BEADMP CC[C@@H]1C[N@H+]([C@@H](C)c2cccnc2)CC[C@H]1[NH3+] ZINC000251524482 487765090 /nfs/dbraw/zinc/76/50/90/487765090.db2.gz ACGWYUHUTQFPIC-OUCADQQQSA-N 2 1 233.359 2.202 20 0 BEADMP CC[C@@H]1C[N@H+]([C@H](C)c2cccnc2)CC[C@H]1[NH3+] ZINC000251524494 487765746 /nfs/dbraw/zinc/76/57/46/487765746.db2.gz ACGWYUHUTQFPIC-YRGRVCCFSA-N 2 1 233.359 2.202 20 0 BEADMP CC[C@@H]1C[N@@H+](CCOCCC(C)C)CC[C@H]1[NH3+] ZINC000251583908 487772100 /nfs/dbraw/zinc/77/21/00/487772100.db2.gz CLAJCXVFQVBKOT-ZIAGYGMSSA-N 2 1 242.407 2.108 20 0 BEADMP CC[C@@H]1C[N@H+]([C@@H](C)c2ccncc2)CC[C@H]1[NH3+] ZINC000251585593 487771999 /nfs/dbraw/zinc/77/19/99/487771999.db2.gz CMWOQXROWDZXLO-OUCADQQQSA-N 2 1 233.359 2.202 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000300669625 487788688 /nfs/dbraw/zinc/78/86/88/487788688.db2.gz RTTJOLKRWLCCJC-BFHYXJOUSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000300669625 487788693 /nfs/dbraw/zinc/78/86/93/487788693.db2.gz RTTJOLKRWLCCJC-BFHYXJOUSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@@H]1C[N@@H+](CCCC(C)C)CC[C@H]1[NH3+] ZINC000251720823 487793140 /nfs/dbraw/zinc/79/31/40/487793140.db2.gz JYGUWFSKABZEFL-CHWSQXEVSA-N 2 1 212.381 2.482 20 0 BEADMP C[N@@H+](CCCC[NH2+]Cc1nccs1)C1CC1 ZINC000651600486 487797582 /nfs/dbraw/zinc/79/75/82/487797582.db2.gz JYWCQPNOWLSOEZ-UHFFFAOYSA-N 2 1 239.388 2.107 20 0 BEADMP CC[C@H]1C[N@@H+](Cc2cccs2)CC[C@H]1[NH3+] ZINC000251842831 487801812 /nfs/dbraw/zinc/80/18/12/487801812.db2.gz QZIHNVAVIARPDN-CMPLNLGQSA-N 2 1 224.373 2.307 20 0 BEADMP CC[C@H]1C[N@H+](Cc2cccc(F)c2)CC[C@H]1[NH3+] ZINC000251847279 487802841 /nfs/dbraw/zinc/80/28/41/487802841.db2.gz RKFYXIDMEKSQCE-GXTWGEPZSA-N 2 1 236.334 2.385 20 0 BEADMP CC[C@H]1C[N@@H+](Cc2cccc(F)c2)CC[C@H]1[NH3+] ZINC000251847279 487802850 /nfs/dbraw/zinc/80/28/50/487802850.db2.gz RKFYXIDMEKSQCE-GXTWGEPZSA-N 2 1 236.334 2.385 20 0 BEADMP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000494506504 487834415 /nfs/dbraw/zinc/83/44/15/487834415.db2.gz FILYVAHYYKAPHM-AAVRWANBSA-N 2 1 240.391 2.016 20 0 BEADMP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000494506504 487834418 /nfs/dbraw/zinc/83/44/18/487834418.db2.gz FILYVAHYYKAPHM-AAVRWANBSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@H]([NH2+]CCC[NH3+])c1nc(C(C)(C)C)cs1 ZINC000415084469 487835874 /nfs/dbraw/zinc/83/58/74/487835874.db2.gz RIRFEQYMCWAADM-VIFPVBQESA-N 2 1 241.404 2.440 20 0 BEADMP C[C@@H](CC[N@@H+](C)CCCF)[NH+](C)CCCF ZINC000887141239 592457898 /nfs/dbraw/zinc/45/78/98/592457898.db2.gz KPEFKSZOVLJPDL-LBPRGKRZSA-N 2 1 236.350 2.348 20 0 BEADMP C[C@@H](CC[NH+](C)CCCF)[N@H+](C)CCCF ZINC000887141239 592457903 /nfs/dbraw/zinc/45/79/03/592457903.db2.gz KPEFKSZOVLJPDL-LBPRGKRZSA-N 2 1 236.350 2.348 20 0 BEADMP C[C@@H](CC[NH+](C)CCCF)[N@@H+](C)CCCF ZINC000887141239 592457925 /nfs/dbraw/zinc/45/79/25/592457925.db2.gz KPEFKSZOVLJPDL-LBPRGKRZSA-N 2 1 236.350 2.348 20 0 BEADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cccn1C ZINC000651866962 487849216 /nfs/dbraw/zinc/84/92/16/487849216.db2.gz XGXRAJNVYVQVAC-UHFFFAOYSA-N 2 1 237.391 2.093 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cccn1C ZINC000651866962 487849217 /nfs/dbraw/zinc/84/92/17/487849217.db2.gz XGXRAJNVYVQVAC-UHFFFAOYSA-N 2 1 237.391 2.093 20 0 BEADMP C[C@H](c1ccncc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253188692 487858154 /nfs/dbraw/zinc/85/81/54/487858154.db2.gz JYLRZAJAQQIHCS-YRGRVCCFSA-N 2 1 233.359 2.059 20 0 BEADMP C[C@@H](C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21)C(C)(C)C ZINC000666732486 487867838 /nfs/dbraw/zinc/86/78/38/487867838.db2.gz XUXXISCHWDYECG-RWMBFGLXSA-N 2 1 224.392 2.352 20 0 BEADMP CCc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)s1 ZINC000666746304 487871018 /nfs/dbraw/zinc/87/10/18/487871018.db2.gz FIGILYGJJMLQQZ-GFCCVEGCSA-N 2 1 224.373 2.137 20 0 BEADMP [NH3+][C@@H](C[NH2+]Cc1ccccc1C1CC1)C1CC1 ZINC000666834293 487888236 /nfs/dbraw/zinc/88/82/36/487888236.db2.gz ZPJBTFZQPYMEIU-HNNXBMFYSA-N 2 1 230.355 2.391 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+]CC2CCSCC2)C1 ZINC000229214731 487893487 /nfs/dbraw/zinc/89/34/87/487893487.db2.gz ZTUZUEPMCROEFI-CYBMUJFWSA-N 2 1 242.432 2.061 20 0 BEADMP C[C@H](CC1CCC1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000666860558 487892999 /nfs/dbraw/zinc/89/29/99/487892999.db2.gz GSKFWNUNVNAMKJ-NQBHXWOUSA-N 2 1 210.365 2.153 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccccc1C1CC1 ZINC000666910473 487901645 /nfs/dbraw/zinc/90/16/45/487901645.db2.gz TTXVFFINBQHBJM-ZDUSSCGKSA-N 2 1 218.344 2.391 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[N@@H+](C)CC1CN(C)C1 ZINC000668539865 487906446 /nfs/dbraw/zinc/90/64/46/487906446.db2.gz OPBRRGRTHHPEPQ-OCCSQVGLSA-N 2 1 224.392 2.306 20 0 BEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc2cnccc2c1 ZINC000666931723 487907296 /nfs/dbraw/zinc/90/72/96/487907296.db2.gz PEYDWNZATICNNG-GHMZBOCLSA-N 2 1 229.327 2.060 20 0 BEADMP C[C@@H]([NH2+]Cc1ccc2cnccc2c1)[C@H](C)[NH3+] ZINC000666931726 487907564 /nfs/dbraw/zinc/90/75/64/487907564.db2.gz PEYDWNZATICNNG-WDEREUQCSA-N 2 1 229.327 2.060 20 0 BEADMP C[C@@H](CCc1ccco1)NC[C@H]1CCCC[NH2+]1 ZINC000235076413 487917236 /nfs/dbraw/zinc/91/72/36/487917236.db2.gz IDJUBKJLJSYUQJ-QWHCGFSZSA-N 2 1 236.359 2.332 20 0 BEADMP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000235076413 487917241 /nfs/dbraw/zinc/91/72/41/487917241.db2.gz IDJUBKJLJSYUQJ-QWHCGFSZSA-N 2 1 236.359 2.332 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)C2CCC2)C1 ZINC000247137887 323012242 /nfs/dbraw/zinc/01/22/42/323012242.db2.gz SDQJFFZKWWRFBI-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CC1(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000562364348 323017845 /nfs/dbraw/zinc/01/78/45/323017845.db2.gz SQKFYFVGYDEUSL-ZDUSSCGKSA-N 2 1 222.376 2.204 20 0 BEADMP Cc1cccc(CC[N@H+](C)CCC[NH+](C)C)c1 ZINC000562521918 323022823 /nfs/dbraw/zinc/02/28/23/323022823.db2.gz XRVJQWJGPOZXRS-UHFFFAOYSA-N 2 1 234.387 2.421 20 0 BEADMP CC[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](C)OC ZINC000569897534 323043711 /nfs/dbraw/zinc/04/37/11/323043711.db2.gz PASRFZRZWZUBOW-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](C)OC ZINC000569897534 323043712 /nfs/dbraw/zinc/04/37/12/323043712.db2.gz PASRFZRZWZUBOW-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3(C)CC3)CC[C@@H]21 ZINC000569904071 323043922 /nfs/dbraw/zinc/04/39/22/323043922.db2.gz CVXSMHBKIYJEFW-OLZOCXBDSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3(C)CC3)CC[C@@H]21 ZINC000569904071 323043923 /nfs/dbraw/zinc/04/39/23/323043923.db2.gz CVXSMHBKIYJEFW-OLZOCXBDSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3(C)CC3)CC[C@@H]21 ZINC000569904071 323043924 /nfs/dbraw/zinc/04/39/24/323043924.db2.gz CVXSMHBKIYJEFW-OLZOCXBDSA-N 2 1 222.376 2.203 20 0 BEADMP CCC[N@H+](CCn1cc[nH+]c1C)C(C)C ZINC000569938208 323044903 /nfs/dbraw/zinc/04/49/03/323044903.db2.gz UPEFYDJUEKEUJG-UHFFFAOYSA-N 2 1 209.337 2.312 20 0 BEADMP CCC[N@@H+](CCn1cc[nH+]c1C)C(C)C ZINC000569938208 323044904 /nfs/dbraw/zinc/04/49/04/323044904.db2.gz UPEFYDJUEKEUJG-UHFFFAOYSA-N 2 1 209.337 2.312 20 0 BEADMP CCC[N@@H+](CCC[NH+]1CCCC1)C1CC1 ZINC000153493794 323051770 /nfs/dbraw/zinc/05/17/70/323051770.db2.gz JOWXWGWRPBAKLP-UHFFFAOYSA-N 2 1 210.365 2.347 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000570530813 323062571 /nfs/dbraw/zinc/06/25/71/323062571.db2.gz XDKBTJJOOMVBLZ-MJBXVCDLSA-N 2 1 233.359 2.360 20 0 BEADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000570673561 323066705 /nfs/dbraw/zinc/06/67/05/323066705.db2.gz DHTVHKBKHRYKEK-YPMHNXCESA-N 2 1 249.358 2.159 20 0 BEADMP CC[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000394504318 323075069 /nfs/dbraw/zinc/07/50/69/323075069.db2.gz DTMIYRKYWPGLMF-TUVASFSCSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000394504318 323075070 /nfs/dbraw/zinc/07/50/70/323075070.db2.gz DTMIYRKYWPGLMF-TUVASFSCSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1cccnc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397254633 323077378 /nfs/dbraw/zinc/07/73/78/323077378.db2.gz FAYJGITWBMYPMX-MJBXVCDLSA-N 2 1 247.386 2.195 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000222314726 323086506 /nfs/dbraw/zinc/08/65/06/323086506.db2.gz XXCWCGMKENUIFH-ZIAGYGMSSA-N 2 1 222.376 2.274 20 0 BEADMP CC[C@@H]1CCC[C@H]1[NH2+]CCC[N@@H+](C)CCOC ZINC000531940479 323156048 /nfs/dbraw/zinc/15/60/48/323156048.db2.gz ABPVOGTWFPBYOT-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1C2CCC1CC2 ZINC000535765301 323190648 /nfs/dbraw/zinc/19/06/48/323190648.db2.gz IYYPTGLTPDQGPT-HIFPTAJRSA-N 2 1 208.349 2.098 20 0 BEADMP Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)s1 ZINC000399336156 323204238 /nfs/dbraw/zinc/20/42/38/323204238.db2.gz QBXZJZHAFNHRSM-RDDDGLTNSA-N 2 1 239.388 2.148 20 0 BEADMP Cc1nc(C)c([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)s1 ZINC000399336157 323204260 /nfs/dbraw/zinc/20/42/60/323204260.db2.gz QBXZJZHAFNHRSM-WRWORJQWSA-N 2 1 239.388 2.148 20 0 BEADMP Cc1ncccc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000530219803 323217915 /nfs/dbraw/zinc/21/79/15/323217915.db2.gz KGQZVOQQBFLXAY-UONOGXRCSA-N 2 1 233.359 2.140 20 0 BEADMP Cc1ncccc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000530219811 323218103 /nfs/dbraw/zinc/21/81/03/323218103.db2.gz KGQZVOQQBFLXAY-ZIAGYGMSSA-N 2 1 233.359 2.140 20 0 BEADMP C[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@@H]1C[C@H]1C ZINC000321658982 323387501 /nfs/dbraw/zinc/38/75/01/323387501.db2.gz WLQOZNQGDAARGU-YRGRVCCFSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@@H]1C[C@H]1C ZINC000321658982 323387505 /nfs/dbraw/zinc/38/75/05/323387505.db2.gz WLQOZNQGDAARGU-YRGRVCCFSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCSCC1 ZINC000163630818 324130481 /nfs/dbraw/zinc/13/04/81/324130481.db2.gz NOWNPOFKEZSUKW-UHFFFAOYSA-N 2 1 230.421 2.202 20 0 BEADMP CC[NH2+]CCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000572510378 324137027 /nfs/dbraw/zinc/13/70/27/324137027.db2.gz AXJGCYWUXOXIBZ-CQSZACIVSA-N 2 1 248.370 2.490 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CC(F)(F)C1 ZINC000529548278 324336771 /nfs/dbraw/zinc/33/67/71/324336771.db2.gz KFQZUIFTMAEQBX-WDEREUQCSA-N 2 1 246.345 2.352 20 0 BEADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ncccc1F ZINC000530222126 324540457 /nfs/dbraw/zinc/54/04/57/324540457.db2.gz GSQQPVDQSXKNSJ-DCAQKATOSA-N 2 1 237.322 2.141 20 0 BEADMP C[C@H](Cc1cccs1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000235461923 487966305 /nfs/dbraw/zinc/96/63/05/487966305.db2.gz MJLYMVYXEOZMAS-MNOVXSKESA-N 2 1 224.373 2.021 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000070828312 325035924 /nfs/dbraw/zinc/03/59/24/325035924.db2.gz PYOKJFOPPONBTB-AGIUHOORSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000133408265 325293768 /nfs/dbraw/zinc/29/37/68/325293768.db2.gz PNXCHEIBBIVVKW-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]([NH2+]CCc1ccc(C)nc1)[C@@H]1CCC[NH2+]1 ZINC000565886263 325969961 /nfs/dbraw/zinc/96/99/61/325969961.db2.gz JVIKUEJVDSPDCX-CABCVRRESA-N 2 1 247.386 2.053 20 0 BEADMP CC[NH2+]CCC[NH2+][C@H]1CCCc2occc21 ZINC000566088007 325992133 /nfs/dbraw/zinc/99/21/33/325992133.db2.gz KHXOVJQFBBOAHM-LBPRGKRZSA-N 2 1 222.332 2.246 20 0 BEADMP C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000566226561 326018308 /nfs/dbraw/zinc/01/83/08/326018308.db2.gz ZBEDVDNWUYPQLE-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000566226561 326018311 /nfs/dbraw/zinc/01/83/11/326018311.db2.gz ZBEDVDNWUYPQLE-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cnc(C)nc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000566481921 326055774 /nfs/dbraw/zinc/05/57/74/326055774.db2.gz IWGXYBMIHBWOLI-YHWZYXNKSA-N 2 1 246.358 2.131 20 0 BEADMP CCC(C)(C)[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000566779526 326082235 /nfs/dbraw/zinc/08/22/35/326082235.db2.gz DHPHPUYYTFGXRF-LLVKDONJSA-N 2 1 223.364 2.377 20 0 BEADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)CC1(C)CC1 ZINC000566832783 326086241 /nfs/dbraw/zinc/08/62/41/326086241.db2.gz MQZSLNYWBXTCEB-GFCCVEGCSA-N 2 1 210.365 2.060 20 0 BEADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)CC1(C)CC1 ZINC000566832783 326086242 /nfs/dbraw/zinc/08/62/42/326086242.db2.gz MQZSLNYWBXTCEB-GFCCVEGCSA-N 2 1 210.365 2.060 20 0 BEADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC1(C)CC1 ZINC000566832783 326086243 /nfs/dbraw/zinc/08/62/43/326086243.db2.gz MQZSLNYWBXTCEB-GFCCVEGCSA-N 2 1 210.365 2.060 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000567034174 326104197 /nfs/dbraw/zinc/10/41/97/326104197.db2.gz URDZZDBQTPTXDK-HZSPNIEDSA-N 2 1 242.407 2.264 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000567034174 326104199 /nfs/dbraw/zinc/10/41/99/326104199.db2.gz URDZZDBQTPTXDK-HZSPNIEDSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC12CCCC2)c1c[nH+]ccc1N ZINC000567375335 326178060 /nfs/dbraw/zinc/17/80/60/326178060.db2.gz RVRNBYNUJBBRCU-MFKMUULPSA-N 2 1 231.343 2.477 20 0 BEADMP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000567487371 326202476 /nfs/dbraw/zinc/20/24/76/326202476.db2.gz LEMGKGIQCSBGBA-OWCLPIDISA-N 2 1 244.382 2.448 20 0 BEADMP COC[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000157955400 326301415 /nfs/dbraw/zinc/30/14/15/326301415.db2.gz NFMOQWFDYOLNLN-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP C(C[NH2+]C1CCCCCC1)C[NH+]1CCC1 ZINC000568531538 326363934 /nfs/dbraw/zinc/36/39/34/326363934.db2.gz GRTWKGLMNQPLSB-UHFFFAOYSA-N 2 1 210.365 2.395 20 0 BEADMP C[C@@H](c1ccccn1)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000568828152 326378201 /nfs/dbraw/zinc/37/82/01/326378201.db2.gz PMLBDHWQKPPUSD-MELADBBJSA-N 2 1 245.370 2.311 20 0 BEADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccncc1 ZINC000569078193 326389100 /nfs/dbraw/zinc/38/91/00/326389100.db2.gz UQAVPWXJDPRSKE-AWEZNQCLSA-N 2 1 244.342 2.099 20 0 BEADMP C[NH2+]CCC[N@@H+](C1CC1)C1CCCCC1 ZINC000309650788 488011344 /nfs/dbraw/zinc/01/13/44/488011344.db2.gz SSZIHCXWPWQFEK-UHFFFAOYSA-N 2 1 210.365 2.393 20 0 BEADMP CCC[N@@H+](CC)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667463544 488015129 /nfs/dbraw/zinc/01/51/29/488015129.db2.gz RGLWRPJVOLDKRB-UHFFFAOYSA-N 2 1 244.342 2.499 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1coc2ccccc12 ZINC000084486336 488053673 /nfs/dbraw/zinc/05/36/73/488053673.db2.gz KIPUAFLCYUDXLI-UHFFFAOYSA-N 2 1 218.300 2.213 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CCCC(C)C ZINC000663510257 488055219 /nfs/dbraw/zinc/05/52/19/488055219.db2.gz CTEBQZZIGQWHEI-NWDGAFQWSA-N 2 1 200.370 2.399 20 0 BEADMP Cc1nc(N[C@H]2CCC[C@H]([NH3+])C2)c(C)c(C)[nH+]1 ZINC000257665763 488078706 /nfs/dbraw/zinc/07/87/06/488078706.db2.gz YCSAZDLYUOCGDM-RYUDHWBXSA-N 2 1 234.347 2.084 20 0 BEADMP Cc1ccnc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000683010616 488090611 /nfs/dbraw/zinc/09/06/11/488090611.db2.gz CIFDNNGOQCENOW-HIFRSBDPSA-N 2 1 247.386 2.305 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000378960177 488113992 /nfs/dbraw/zinc/11/39/92/488113992.db2.gz POGJRQPEEFMITM-APIJFGDWSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@](C[NH3+])([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC1 ZINC000403135191 488115885 /nfs/dbraw/zinc/11/58/85/488115885.db2.gz SMZZPARKIDGCKW-NRWUCQMLSA-N 2 1 222.376 2.140 20 0 BEADMP C[N@@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)CC(C)(C)C[NH3+] ZINC000403234987 488119491 /nfs/dbraw/zinc/11/94/91/488119491.db2.gz AVFYXKZWXKDTTI-FRRDWIJNSA-N 2 1 224.392 2.339 20 0 BEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccoc2C)[C@H](C)C1 ZINC000675780435 488120858 /nfs/dbraw/zinc/12/08/58/488120858.db2.gz YJCKWQVZDWVTPD-BXUZGUMPSA-N 2 1 236.359 2.408 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccoc2C)[C@H](C)C1 ZINC000675780435 488120862 /nfs/dbraw/zinc/12/08/62/488120862.db2.gz YJCKWQVZDWVTPD-BXUZGUMPSA-N 2 1 236.359 2.408 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccoc2C)[C@H](C)C1 ZINC000675780437 488121256 /nfs/dbraw/zinc/12/12/56/488121256.db2.gz YJCKWQVZDWVTPD-RISCZKNCSA-N 2 1 236.359 2.408 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccoc2C)[C@H](C)C1 ZINC000675780437 488121261 /nfs/dbraw/zinc/12/12/61/488121261.db2.gz YJCKWQVZDWVTPD-RISCZKNCSA-N 2 1 236.359 2.408 20 0 BEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC000403519771 488125264 /nfs/dbraw/zinc/12/52/64/488125264.db2.gz KQDUDFIGLPHXTF-OWYFMNJBSA-N 2 1 248.414 2.483 20 0 BEADMP Cc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])cc1C ZINC000258718516 488129325 /nfs/dbraw/zinc/12/93/25/488129325.db2.gz DIOCQFORIRAISY-UHFFFAOYSA-N 2 1 220.360 2.473 20 0 BEADMP Cc1ccc(C[N@H+](C)CC(C)(C)[NH3+])cc1C ZINC000258718516 488129329 /nfs/dbraw/zinc/12/93/29/488129329.db2.gz DIOCQFORIRAISY-UHFFFAOYSA-N 2 1 220.360 2.473 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000094528204 487539246 /nfs/dbraw/zinc/53/92/46/487539246.db2.gz BGSXLELWNBWRQN-LBPRGKRZSA-N 2 1 230.355 2.345 20 0 BEADMP C(C1CCC1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292372 487541568 /nfs/dbraw/zinc/54/15/68/487541568.db2.gz FBHKPHLBJGEQTB-OAHLLOKOSA-N 2 1 236.403 2.498 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCS2)CC1(C)C ZINC000623445462 487473016 /nfs/dbraw/zinc/47/30/16/487473016.db2.gz RVFLHRSGGUGWMJ-NEPJUHHUSA-N 2 1 242.432 2.344 20 0 BEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCc1ccccc1)C2 ZINC000381019346 487493155 /nfs/dbraw/zinc/49/31/55/487493155.db2.gz OROIAMZHXZVGBE-HOTGVXAUSA-N 2 1 244.382 2.290 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)C1 ZINC000300366619 487511080 /nfs/dbraw/zinc/51/10/80/487511080.db2.gz LHIIPHUNEOEBBJ-FRRDWIJNSA-N 2 1 210.365 2.297 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304651513 487513618 /nfs/dbraw/zinc/51/36/18/487513618.db2.gz YLQRBOCSRYDTKP-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304651513 487513623 /nfs/dbraw/zinc/51/36/23/487513623.db2.gz YLQRBOCSRYDTKP-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP C(CC1CCC1)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000662274482 487522638 /nfs/dbraw/zinc/52/26/38/487522638.db2.gz UPXDSNJUUCTVHL-ZIAGYGMSSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCC2CCC2)C1 ZINC000662274040 487522654 /nfs/dbraw/zinc/52/26/54/487522654.db2.gz SMCXRVCAQXRUKN-ZDUSSCGKSA-N 2 1 210.365 2.237 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000677985650 488169163 /nfs/dbraw/zinc/16/91/63/488169163.db2.gz VYDFNNINCUSRQY-CYBMUJFWSA-N 2 1 245.326 2.274 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000677985650 488169167 /nfs/dbraw/zinc/16/91/67/488169167.db2.gz VYDFNNINCUSRQY-CYBMUJFWSA-N 2 1 245.326 2.274 20 0 BEADMP CC(C)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000684574944 488328447 /nfs/dbraw/zinc/32/84/47/488328447.db2.gz HXEKSMIGCGCQIW-UHFFFAOYSA-N 2 1 233.359 2.250 20 0 BEADMP CC[C@@H](C[NH2+][C@@H](C)CCCCO)[NH+]1CCCC1 ZINC000679332794 488340627 /nfs/dbraw/zinc/34/06/27/488340627.db2.gz YWIWQDUJCIGCSX-KBPBESRZSA-N 2 1 242.407 2.002 20 0 BEADMP Cc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000459723582 490132733 /nfs/dbraw/zinc/13/27/33/490132733.db2.gz AERBXNWYGILKDD-CQSZACIVSA-N 2 1 247.386 2.212 20 0 BEADMP CCC(CC)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000130292611 490348797 /nfs/dbraw/zinc/34/87/97/490348797.db2.gz KCVBACQEBQFVGP-GFCCVEGCSA-N 2 1 200.370 2.386 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000300518917 490565194 /nfs/dbraw/zinc/56/51/94/490565194.db2.gz LIZMBZLMBHVOCS-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000300518917 490565196 /nfs/dbraw/zinc/56/51/96/490565196.db2.gz LIZMBZLMBHVOCS-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP Cc1cccc(C[NH2+]CCc2c[nH+]cn2C)c1C ZINC000401827916 490587883 /nfs/dbraw/zinc/58/78/83/490587883.db2.gz IEDWUIJRFAGQOT-UHFFFAOYSA-N 2 1 243.354 2.369 20 0 BEADMP Cc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1C ZINC000401862315 490588143 /nfs/dbraw/zinc/58/81/43/490588143.db2.gz YJJDLTUWUAKYOD-UHFFFAOYSA-N 2 1 243.354 2.369 20 0 BEADMP Fc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000072146593 491122429 /nfs/dbraw/zinc/12/24/29/491122429.db2.gz AMMRPWGEDJXEPN-OAHLLOKOSA-N 2 1 248.345 2.401 20 0 BEADMP Fc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000072146593 491122431 /nfs/dbraw/zinc/12/24/31/491122431.db2.gz AMMRPWGEDJXEPN-OAHLLOKOSA-N 2 1 248.345 2.401 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCC2CC2)[C@H](C)C1 ZINC000090118304 491123012 /nfs/dbraw/zinc/12/30/12/491123012.db2.gz SVFYJPMEJDTZRF-YPMHNXCESA-N 2 1 210.365 2.106 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)C2CCC2)CC1 ZINC000132203156 491134669 /nfs/dbraw/zinc/13/46/69/491134669.db2.gz XWQPQNNOGLXDQW-NSHDSACASA-N 2 1 210.365 2.249 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC2CCC2)C1 ZINC000132426880 491135965 /nfs/dbraw/zinc/13/59/65/491135965.db2.gz CAFGXXFNXDRBOX-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@H]1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000488336111 534016337 /nfs/dbraw/zinc/01/63/37/534016337.db2.gz SYXMAGKAVCJLJL-RDBSUJKOSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1C[C@H]1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000488336111 534016346 /nfs/dbraw/zinc/01/63/46/534016346.db2.gz SYXMAGKAVCJLJL-RDBSUJKOSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1C[C@H]1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000488336111 534016350 /nfs/dbraw/zinc/01/63/50/534016350.db2.gz SYXMAGKAVCJLJL-RDBSUJKOSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1C[C@H]1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000488336105 534019734 /nfs/dbraw/zinc/01/97/34/534019734.db2.gz SYXMAGKAVCJLJL-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1C[C@H]1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000488336105 534019741 /nfs/dbraw/zinc/01/97/41/534019741.db2.gz SYXMAGKAVCJLJL-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1C[C@H]1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000488336105 534019746 /nfs/dbraw/zinc/01/97/46/534019746.db2.gz SYXMAGKAVCJLJL-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)[C@H]1C ZINC000891860926 582730569 /nfs/dbraw/zinc/73/05/69/582730569.db2.gz DUIDBGMWSPUHQF-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000132912804 582741429 /nfs/dbraw/zinc/74/14/29/582741429.db2.gz PDOAAVCEEHRMJR-NQBHXWOUSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000892066934 582783295 /nfs/dbraw/zinc/78/32/95/582783295.db2.gz ZRLYIJGNCUPQJM-OLZOCXBDSA-N 2 1 224.392 2.306 20 0 BEADMP CC(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252668352 534613216 /nfs/dbraw/zinc/61/32/16/534613216.db2.gz VJNQQHQMQXDHRS-NEPJUHHUSA-N 2 1 210.365 2.249 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]C/C=C\c2ccncc2)C1 ZINC000486986781 527742570 /nfs/dbraw/zinc/74/25/70/527742570.db2.gz ZKHLNODXCAUKFB-JZIMQPMSSA-N 2 1 245.370 2.026 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@H]2C)[C@H](C)C1 ZINC000488311710 527831044 /nfs/dbraw/zinc/83/10/44/527831044.db2.gz JUGZDWNKHNVVDO-MQYQWHSLSA-N 2 1 224.392 2.305 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2C[C@H]2C)[C@H](C)C1 ZINC000488311710 527831052 /nfs/dbraw/zinc/83/10/52/527831052.db2.gz JUGZDWNKHNVVDO-MQYQWHSLSA-N 2 1 224.392 2.305 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2C[C@H]2C)[C@H](C)C1 ZINC000488311710 527831056 /nfs/dbraw/zinc/83/10/56/527831056.db2.gz JUGZDWNKHNVVDO-MQYQWHSLSA-N 2 1 224.392 2.305 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2C)C1 ZINC000488321746 527839174 /nfs/dbraw/zinc/83/91/74/527839174.db2.gz NRIMXTQTWXXTBZ-IHRRRGAJSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2C)C1 ZINC000488321746 527839178 /nfs/dbraw/zinc/83/91/78/527839178.db2.gz NRIMXTQTWXXTBZ-IHRRRGAJSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C[C@@H]2C)C1 ZINC000488321746 527839166 /nfs/dbraw/zinc/83/91/66/527839166.db2.gz NRIMXTQTWXXTBZ-IHRRRGAJSA-N 2 1 224.392 2.306 20 0 BEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2C)C1 ZINC000488351657 528175859 /nfs/dbraw/zinc/17/58/59/528175859.db2.gz FSKVYUXDQYLKJT-IHRRRGAJSA-N 2 1 224.392 2.306 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@H]1C[C@H]1C ZINC000309053825 528352351 /nfs/dbraw/zinc/35/23/51/528352351.db2.gz SLBRKXCRXAUKTR-JHJVBQTASA-N 2 1 212.381 2.352 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@H]1C[C@H]1C ZINC000309053825 528352355 /nfs/dbraw/zinc/35/23/55/528352355.db2.gz SLBRKXCRXAUKTR-JHJVBQTASA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)[N@H+](C)CCC[NH2+]C/C=C\c1ccncc1 ZINC000486971095 528816521 /nfs/dbraw/zinc/81/65/21/528816521.db2.gz SCIIOGHIWBWAGJ-XQRVVYSFSA-N 2 1 247.386 2.415 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+]C/C=C\c1ccncc1 ZINC000486971095 528816522 /nfs/dbraw/zinc/81/65/22/528816522.db2.gz SCIIOGHIWBWAGJ-XQRVVYSFSA-N 2 1 247.386 2.415 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000309093356 528829741 /nfs/dbraw/zinc/82/97/41/528829741.db2.gz FSUPILAANZHNRM-UTUOFQBUSA-N 2 1 230.421 2.056 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000309093356 528829746 /nfs/dbraw/zinc/82/97/46/528829746.db2.gz FSUPILAANZHNRM-UTUOFQBUSA-N 2 1 230.421 2.056 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000308847321 528831989 /nfs/dbraw/zinc/83/19/89/528831989.db2.gz MUTFPVFMKOZGGM-MROQNXINSA-N 2 1 212.381 2.349 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000308847321 528831994 /nfs/dbraw/zinc/83/19/94/528831994.db2.gz MUTFPVFMKOZGGM-MROQNXINSA-N 2 1 212.381 2.349 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1C[C@@H](C)[C@H]1C ZINC000308847325 528833251 /nfs/dbraw/zinc/83/32/51/528833251.db2.gz MUTFPVFMKOZGGM-XQHKEYJVSA-N 2 1 212.381 2.349 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1C[C@@H](C)[C@H]1C ZINC000308847325 528833254 /nfs/dbraw/zinc/83/32/54/528833254.db2.gz MUTFPVFMKOZGGM-XQHKEYJVSA-N 2 1 212.381 2.349 20 0 BEADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2C[C@H]2C)CC1 ZINC000488354935 528991469 /nfs/dbraw/zinc/99/14/69/528991469.db2.gz WYFWKMZAESQJGI-OLZOCXBDSA-N 2 1 224.392 2.447 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173871840 534949998 /nfs/dbraw/zinc/94/99/98/534949998.db2.gz LHDCCVOSHJHJBY-ZDUSSCGKSA-N 2 1 210.365 2.204 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)c1ccccn1 ZINC000251331692 535065971 /nfs/dbraw/zinc/06/59/71/535065971.db2.gz OKXPYBGSJHJLGU-CHWSQXEVSA-N 2 1 235.375 2.448 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)c1ccccn1 ZINC000251331692 535065974 /nfs/dbraw/zinc/06/59/74/535065974.db2.gz OKXPYBGSJHJLGU-CHWSQXEVSA-N 2 1 235.375 2.448 20 0 BEADMP CC(C)[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261533671 535183674 /nfs/dbraw/zinc/18/36/74/535183674.db2.gz JSPHLAMKDGFSQD-MGPQQGTHSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)C[C@@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261687663 535283821 /nfs/dbraw/zinc/28/38/21/535283821.db2.gz ASIQRXNYXNVFDM-UONOGXRCSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)C[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261812438 535284770 /nfs/dbraw/zinc/28/47/70/535284770.db2.gz RQCCKTWESOLVSL-AWEZNQCLSA-N 2 1 224.392 2.497 20 0 BEADMP CCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000252732459 535296440 /nfs/dbraw/zinc/29/64/40/535296440.db2.gz VDXFCZBOUYYXFI-OLZOCXBDSA-N 2 1 222.376 2.393 20 0 BEADMP CC(C)C[C@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261687665 535326899 /nfs/dbraw/zinc/32/68/99/535326899.db2.gz ASIQRXNYXNVFDM-ZIAGYGMSSA-N 2 1 224.392 2.497 20 0 BEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCF)C1 ZINC000151130750 535596850 /nfs/dbraw/zinc/59/68/50/535596850.db2.gz RYAJRMFMBYVXCL-GFCCVEGCSA-N 2 1 216.344 2.010 20 0 BEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC000352003395 535597978 /nfs/dbraw/zinc/59/79/78/535597978.db2.gz LUVWPEWJXQQIMA-CHWSQXEVSA-N 2 1 230.371 2.398 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000253226532 535611568 /nfs/dbraw/zinc/61/15/68/535611568.db2.gz JFLMCKHONSKUBU-AVGNSLFASA-N 2 1 212.381 2.339 20 0 BEADMP CC[N@@H+](CC1CC1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261536034 535698517 /nfs/dbraw/zinc/69/85/17/535698517.db2.gz QEDHLTREQHCBGO-DGCLKSJQSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000083055363 535802762 /nfs/dbraw/zinc/80/27/62/535802762.db2.gz RAHDGGYINUALNY-CQSZACIVSA-N 2 1 222.376 2.391 20 0 BEADMP CCc1ccc(CC[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261704998 536170315 /nfs/dbraw/zinc/17/03/15/536170315.db2.gz LXCLGEKIBCTOHP-MRXNPFEDSA-N 2 1 246.398 2.462 20 0 BEADMP C[N@@H+](CCC1CCCC1)C1CC[NH2+]CC1 ZINC000258963901 536320672 /nfs/dbraw/zinc/32/06/72/536320672.db2.gz LBCAPTPIFJOOHE-UHFFFAOYSA-N 2 1 210.365 2.251 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2CCCC2(C)C)CC1 ZINC000086856236 536344828 /nfs/dbraw/zinc/34/48/28/536344828.db2.gz QITFTQKTVSCJJX-GFCCVEGCSA-N 2 1 210.365 2.249 20 0 BEADMP C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCC[C@H](C)C2)C1 ZINC000252682945 536375233 /nfs/dbraw/zinc/37/52/33/536375233.db2.gz CXZRGFALEOHGSN-RWMBFGLXSA-N 2 1 210.365 2.106 20 0 BEADMP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCC[C@H](C)C2)C1 ZINC000252682945 536375234 /nfs/dbraw/zinc/37/52/34/536375234.db2.gz CXZRGFALEOHGSN-RWMBFGLXSA-N 2 1 210.365 2.106 20 0 BEADMP COc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1C ZINC000261644285 536773585 /nfs/dbraw/zinc/77/35/85/536773585.db2.gz AMBUYKXAVCXQEB-JSGCOSHPSA-N 2 1 248.370 2.173 20 0 BEADMP C([NH2+][C@@H]1CC[C@H]1C1CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000348072194 566261558 /nfs/dbraw/zinc/26/15/58/566261558.db2.gz ABIZOJKEJDVDJJ-TUKIKUTGSA-N 2 1 234.387 2.249 20 0 BEADMP C([NH2+][C@@H]1CC[C@@H]1C1CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000348072193 566261668 /nfs/dbraw/zinc/26/16/68/566261668.db2.gz ABIZOJKEJDVDJJ-NILFDRSVSA-N 2 1 234.387 2.249 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000045692122 582576676 /nfs/dbraw/zinc/57/66/76/582576676.db2.gz DNTSKBPBQJTQDX-CYBMUJFWSA-N 2 1 246.398 2.474 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2C2CC2)CC1 ZINC000891934141 582739876 /nfs/dbraw/zinc/73/98/76/582739876.db2.gz WYPMUCBKTFYXPB-CQSZACIVSA-N 2 1 222.376 2.203 20 0 BEADMP CCCSC[C@H](C)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000892628411 582933550 /nfs/dbraw/zinc/93/35/50/582933550.db2.gz LDBCTWJZFXNMKX-AAEUAGOBSA-N 2 1 244.448 2.448 20 0 BEADMP CCCCCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000857086984 588886967 /nfs/dbraw/zinc/88/69/67/588886967.db2.gz OZSAIIDWCOHLON-CHWSQXEVSA-N 2 1 210.365 2.380 20 0 BEADMP C[C@@H](C[NH2+]Cc1c[nH]cn1)c1cccc(F)c1 ZINC000894211208 583376765 /nfs/dbraw/zinc/37/67/65/583376765.db2.gz ORXQGYSWPREIHI-JTQLQIEISA-N 2 1 233.290 2.442 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](CF)C1 ZINC000880237079 583505826 /nfs/dbraw/zinc/50/58/26/583505826.db2.gz PQJFWUHTRMIKBL-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](CF)C1 ZINC000880237079 583505827 /nfs/dbraw/zinc/50/58/27/583505827.db2.gz PQJFWUHTRMIKBL-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](CF)C1 ZINC000880237079 583505830 /nfs/dbraw/zinc/50/58/30/583505830.db2.gz PQJFWUHTRMIKBL-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP FC1CC[NH+](CCC[NH+]2CCC(F)CC2)CC1 ZINC000880239623 583515685 /nfs/dbraw/zinc/51/56/85/583515685.db2.gz AAEBDFPKYITHDC-UHFFFAOYSA-N 2 1 246.345 2.244 20 0 BEADMP C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000894959557 583559498 /nfs/dbraw/zinc/55/94/98/583559498.db2.gz YIRCEFYWDLFQIZ-FRRDWIJNSA-N 2 1 224.392 2.305 20 0 BEADMP C[C@H](CC[NH2+]Cc1ccc(Cl)nc1)[NH+](C)C ZINC000895297788 583640435 /nfs/dbraw/zinc/64/04/35/583640435.db2.gz PIENPYYFJSZINR-SNVBAGLBSA-N 2 1 241.766 2.165 20 0 BEADMP C[N@@H+](CCCF)Cc1ccnn1-c1cc[nH+]cc1 ZINC000895895889 583743469 /nfs/dbraw/zinc/74/34/69/583743469.db2.gz HTGREEWGNHYMMH-UHFFFAOYSA-N 2 1 248.305 2.059 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCCCCCO)CC1(C)C ZINC000858155479 588936192 /nfs/dbraw/zinc/93/61/92/588936192.db2.gz JSQFDCDMLHIMTI-ZDUSSCGKSA-N 2 1 242.407 2.002 20 0 BEADMP CC(=O)CC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000728926218 583937259 /nfs/dbraw/zinc/93/72/59/583937259.db2.gz GNHJGZKGMUUTTL-UHFFFAOYSA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccoc2)C1 ZINC000729682786 584022593 /nfs/dbraw/zinc/02/25/93/584022593.db2.gz LGTPXXBLSQAMQM-CYBMUJFWSA-N 2 1 236.359 2.490 20 0 BEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccoc2)C1 ZINC000729682786 584022594 /nfs/dbraw/zinc/02/25/94/584022594.db2.gz LGTPXXBLSQAMQM-CYBMUJFWSA-N 2 1 236.359 2.490 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccoc1 ZINC000729681293 584022830 /nfs/dbraw/zinc/02/28/30/584022830.db2.gz OPFJAGNKURVALT-LLVKDONJSA-N 2 1 233.315 2.210 20 0 BEADMP Cl/C=C\CN1CCC[C@H](n2ccnc2)C1 ZINC000729932031 584030591 /nfs/dbraw/zinc/03/05/91/584030591.db2.gz SXKNIFONDUNLMI-MORRKMRCSA-N 2 1 225.723 2.273 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897955906 584065601 /nfs/dbraw/zinc/06/56/01/584065601.db2.gz YYJBXBCBDMPSPL-FPMFFAJLSA-N 2 1 245.370 2.426 20 0 BEADMP Cc1ncccc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000898251639 584100660 /nfs/dbraw/zinc/10/06/60/584100660.db2.gz GPYPNBCTTCQVPS-SWLSCSKDSA-N 2 1 247.386 2.005 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH2+]C/C=C\Cl)[C@H](C)C1 ZINC000898431935 584135018 /nfs/dbraw/zinc/13/50/18/584135018.db2.gz DHNLCGQRQTUBLP-FPNIURKZSA-N 2 1 216.756 2.059 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C/C=C\Cl)[C@H](C)C1 ZINC000898431935 584135020 /nfs/dbraw/zinc/13/50/20/584135020.db2.gz DHNLCGQRQTUBLP-FPNIURKZSA-N 2 1 216.756 2.059 20 0 BEADMP CC1(C)C[NH2+]C[C@H]1Nc1cc[nH+]c2ccsc21 ZINC000900019894 584266547 /nfs/dbraw/zinc/26/65/47/584266547.db2.gz HSBGRJXDJYMROS-LLVKDONJSA-N 2 1 247.367 2.128 20 0 BEADMP CCNc1ccccc1CNC[C@H]1CCC[N@@H+]1C ZINC000902104281 584523903 /nfs/dbraw/zinc/52/39/03/584523903.db2.gz ODCAXXUDEKQWDV-CQSZACIVSA-N 2 1 247.386 2.302 20 0 BEADMP CCNc1ccccc1CNC[C@H]1CCC[N@H+]1C ZINC000902104281 584523904 /nfs/dbraw/zinc/52/39/04/584523904.db2.gz ODCAXXUDEKQWDV-CQSZACIVSA-N 2 1 247.386 2.302 20 0 BEADMP [NH3+]C1(C[NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000902406157 584573759 /nfs/dbraw/zinc/57/37/59/584573759.db2.gz MDVQFCLUJPRHAQ-CYBMUJFWSA-N 2 1 231.343 2.004 20 0 BEADMP [NH3+]C1(C[NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000902406096 584573958 /nfs/dbraw/zinc/57/39/58/584573958.db2.gz LIUQEOSNBLKFSG-UHFFFAOYSA-N 2 1 236.281 2.188 20 0 BEADMP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000902406027 584574187 /nfs/dbraw/zinc/57/41/87/584574187.db2.gz KDSOUSNAAASHSJ-LSDHHAIUSA-N 2 1 244.382 2.479 20 0 BEADMP CC(C)CC[C@H]([NH2+]CC1([NH3+])CC1)C1CC1 ZINC000902406066 584574356 /nfs/dbraw/zinc/57/43/56/584574356.db2.gz KRAFGOIMXOLKHY-LBPRGKRZSA-N 2 1 210.365 2.282 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]CC2([NH3+])CC2)s1 ZINC000902415251 584589694 /nfs/dbraw/zinc/58/96/94/584589694.db2.gz MKBZZRIYICWGIF-VIFPVBQESA-N 2 1 210.346 2.198 20 0 BEADMP CC[C@H](Cc1ccccc1)[NH2+]CC1([NH3+])CC1 ZINC000902416177 584590699 /nfs/dbraw/zinc/59/06/99/584590699.db2.gz TVVWTIKWJCJCLN-CYBMUJFWSA-N 2 1 218.344 2.089 20 0 BEADMP Cc1ccsc1[C@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902417580 584591423 /nfs/dbraw/zinc/59/14/23/584591423.db2.gz TZLSKLNUGSTMSK-VIFPVBQESA-N 2 1 210.346 2.198 20 0 BEADMP [NH3+]C1(C[NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000902414280 584599695 /nfs/dbraw/zinc/59/96/95/584599695.db2.gz VITCNRNAIQSNCF-ZDUSSCGKSA-N 2 1 234.318 2.284 20 0 BEADMP [NH3+]C1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000902413836 584599871 /nfs/dbraw/zinc/59/98/71/584599871.db2.gz ORDBVXTUJOEQID-GJZGRUSLSA-N 2 1 244.382 2.479 20 0 BEADMP COc1ccc(CC[C@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902415075 584600858 /nfs/dbraw/zinc/60/08/58/584600858.db2.gz KSNAMERNSPVCGP-LBPRGKRZSA-N 2 1 248.370 2.097 20 0 BEADMP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902474185 584601735 /nfs/dbraw/zinc/60/17/35/584601735.db2.gz DDDNIQGDZHASSN-DRPJVOAASA-N 2 1 244.382 2.409 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000902452951 584608302 /nfs/dbraw/zinc/60/83/02/584608302.db2.gz NQJDZLPBYVBYJI-TUAOUCFPSA-N 2 1 242.432 2.391 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000902452835 584608319 /nfs/dbraw/zinc/60/83/19/584608319.db2.gz MLLLUVHIPXCTPJ-IJLUTSLNSA-N 2 1 242.432 2.248 20 0 BEADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1cncs1 ZINC000902456244 584610408 /nfs/dbraw/zinc/61/04/08/584610408.db2.gz OKCRXSNOCNATEA-GDPRMGEGSA-N 2 1 237.372 2.064 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)[C@H]1CCC[NH2+]1 ZINC000902461273 584611318 /nfs/dbraw/zinc/61/13/18/584611318.db2.gz NLYXXBHELCNDNC-RWMBFGLXSA-N 2 1 240.391 2.064 20 0 BEADMP C[C@H](CCc1ccco1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902465251 584612750 /nfs/dbraw/zinc/61/27/50/584612750.db2.gz DOLCYTSXFBFOEZ-ZMJPVWNMSA-N 2 1 234.343 2.083 20 0 BEADMP C1CC2(CCCC2)[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902466102 584613699 /nfs/dbraw/zinc/61/36/99/584613699.db2.gz IUZAXWYQPIOEEN-LOWDOPEQSA-N 2 1 220.360 2.192 20 0 BEADMP C1CC2(CCCC2)[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902465737 584613784 /nfs/dbraw/zinc/61/37/84/584613784.db2.gz IUZAXWYQPIOEEN-YVECIDJPSA-N 2 1 220.360 2.192 20 0 BEADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902465980 584614309 /nfs/dbraw/zinc/61/43/09/584614309.db2.gz HZGHXAONNDTSGR-BSLXNSKLSA-N 2 1 248.345 2.239 20 0 BEADMP C([NH2+][C@H]1CCCSC1)[C@@H]1CCCCC[NH2+]1 ZINC000902485283 584624920 /nfs/dbraw/zinc/62/49/20/584624920.db2.gz ZEHYHNRAOHIGHT-RYUDHWBXSA-N 2 1 228.405 2.004 20 0 BEADMP CC[C@@H]([NH2+]CCc1cccnc1C)[C@@H]1CCC[NH2+]1 ZINC000902514336 584629341 /nfs/dbraw/zinc/62/93/41/584629341.db2.gz RYDUJLGEPIXUIM-CABCVRRESA-N 2 1 247.386 2.053 20 0 BEADMP C[N@H+]1CCCC[C@H]1CCN1CCC[C@H](F)C1 ZINC000903002142 584716113 /nfs/dbraw/zinc/71/61/13/584716113.db2.gz WUOVXZFABKJGLJ-STQMWFEESA-N 2 1 228.355 2.295 20 0 BEADMP C[C@H]1C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903079326 584724590 /nfs/dbraw/zinc/72/45/90/584724590.db2.gz LXSOTDNWKYVAEN-RLIJAYAKSA-N 2 1 234.387 2.390 20 0 BEADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000903255014 584739539 /nfs/dbraw/zinc/73/95/39/584739539.db2.gz VHNHKFNLTLWMHO-CLHCLYRXSA-N 2 1 222.376 2.103 20 0 BEADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000903255014 584739540 /nfs/dbraw/zinc/73/95/40/584739540.db2.gz VHNHKFNLTLWMHO-CLHCLYRXSA-N 2 1 222.376 2.103 20 0 BEADMP COC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000903330426 584754153 /nfs/dbraw/zinc/75/41/53/584754153.db2.gz JZYHAKHGSSAZBV-RYUDHWBXSA-N 2 1 242.407 2.262 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000903430296 584761618 /nfs/dbraw/zinc/76/16/18/584761618.db2.gz RRGARJJSVGANNF-IVMMDQJWSA-N 2 1 244.382 2.461 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000903430295 584761852 /nfs/dbraw/zinc/76/18/52/584761852.db2.gz RRGARJJSVGANNF-INWMFGNUSA-N 2 1 244.382 2.461 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000903459845 584766441 /nfs/dbraw/zinc/76/64/41/584766441.db2.gz OQRYVAVKLKWLRD-MCIONIFRSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903460841 584766529 /nfs/dbraw/zinc/76/65/29/584766529.db2.gz JRHZYIGKZXBHQC-SMDDNHRTSA-N 2 1 243.354 2.480 20 0 BEADMP CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903464483 584766826 /nfs/dbraw/zinc/76/68/26/584766826.db2.gz PDUSAKAUHIFLJN-ZOBORPQBSA-N 2 1 224.392 2.495 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2ccc3cc[nH]c3c2)CCC1 ZINC000903447089 584770650 /nfs/dbraw/zinc/77/06/50/584770650.db2.gz DBTWWKRWHUIEQU-UHFFFAOYSA-N 2 1 229.327 2.139 20 0 BEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903451572 584771858 /nfs/dbraw/zinc/77/18/58/584771858.db2.gz BJQYPTASIXUFSY-OAHLLOKOSA-N 2 1 243.354 2.339 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]2c2ccncc2)C1 ZINC000903455495 584774294 /nfs/dbraw/zinc/77/42/94/584774294.db2.gz WUOLUNJDKIIWDN-CFVMTHIKSA-N 2 1 245.370 2.346 20 0 BEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccccc2CF)C1 ZINC000903747774 584794791 /nfs/dbraw/zinc/79/47/91/584794791.db2.gz XCICJNHBTORXON-AWEZNQCLSA-N 2 1 236.334 2.327 20 0 BEADMP C[C@]12C[N@@H+](CC[C@H]3CC[NH2+]C3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903826309 584805064 /nfs/dbraw/zinc/80/50/64/584805064.db2.gz HVFGFBVZIWBZOZ-DGADGQDISA-N 2 1 246.398 2.130 20 0 BEADMP C[C@H]1CSCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000903829231 584805622 /nfs/dbraw/zinc/80/56/22/584805622.db2.gz CLCZCZXQNJLULC-QWHCGFSZSA-N 2 1 242.432 2.204 20 0 BEADMP C[C@@H]1CSCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000903829322 584805635 /nfs/dbraw/zinc/80/56/35/584805635.db2.gz CSDZXYNLVCPTKP-GFCCVEGCSA-N 2 1 242.432 2.204 20 0 BEADMP C[C@@H]1CSCCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903831606 584805989 /nfs/dbraw/zinc/80/59/89/584805989.db2.gz KXEYVSFJAQSKQP-CHWSQXEVSA-N 2 1 242.432 2.204 20 0 BEADMP FCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CC[NH2+]C1 ZINC000903831895 584806179 /nfs/dbraw/zinc/80/61/79/584806179.db2.gz MZTBQIPTSQFLHD-CPIKKWJDSA-N 2 1 240.366 2.199 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@H]3CC[C@@]32CN)c1 ZINC000903856178 584808674 /nfs/dbraw/zinc/80/86/74/584808674.db2.gz QUISHCJTVPNDBZ-HUUCEWRRSA-N 2 1 230.355 2.308 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@H]3CC[C@@]32CN)c1 ZINC000903856178 584808676 /nfs/dbraw/zinc/80/86/76/584808676.db2.gz QUISHCJTVPNDBZ-HUUCEWRRSA-N 2 1 230.355 2.308 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])c1 ZINC000903856178 584808678 /nfs/dbraw/zinc/80/86/78/584808678.db2.gz QUISHCJTVPNDBZ-HUUCEWRRSA-N 2 1 230.355 2.308 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])c1 ZINC000903856178 584808679 /nfs/dbraw/zinc/80/86/79/584808679.db2.gz QUISHCJTVPNDBZ-HUUCEWRRSA-N 2 1 230.355 2.308 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903854052 584809147 /nfs/dbraw/zinc/80/91/47/584809147.db2.gz IQFPIMMXXUDMTK-LSDHHAIUSA-N 2 1 230.355 2.308 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903854052 584809148 /nfs/dbraw/zinc/80/91/48/584809148.db2.gz IQFPIMMXXUDMTK-LSDHHAIUSA-N 2 1 230.355 2.308 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@H]3CC[C@]32CN)c1 ZINC000903856176 584809605 /nfs/dbraw/zinc/80/96/05/584809605.db2.gz QUISHCJTVPNDBZ-CABCVRRESA-N 2 1 230.355 2.308 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@H]3CC[C@]32CN)c1 ZINC000903856176 584809606 /nfs/dbraw/zinc/80/96/06/584809606.db2.gz QUISHCJTVPNDBZ-CABCVRRESA-N 2 1 230.355 2.308 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])c1 ZINC000903856176 584809607 /nfs/dbraw/zinc/80/96/07/584809607.db2.gz QUISHCJTVPNDBZ-CABCVRRESA-N 2 1 230.355 2.308 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])c1 ZINC000903856176 584809608 /nfs/dbraw/zinc/80/96/08/584809608.db2.gz QUISHCJTVPNDBZ-CABCVRRESA-N 2 1 230.355 2.308 20 0 BEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCc1ccccc1 ZINC000903859040 584811252 /nfs/dbraw/zinc/81/12/52/584811252.db2.gz ZAUBUBLPLPLYJI-CABCVRRESA-N 2 1 230.355 2.042 20 0 BEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCc1ccccc1 ZINC000903859040 584811253 /nfs/dbraw/zinc/81/12/53/584811253.db2.gz ZAUBUBLPLPLYJI-CABCVRRESA-N 2 1 230.355 2.042 20 0 BEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000903861829 584812587 /nfs/dbraw/zinc/81/25/87/584812587.db2.gz YNFHYSUPLXRSNG-XLWJZTARSA-N 2 1 234.387 2.236 20 0 BEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000903861829 584812588 /nfs/dbraw/zinc/81/25/88/584812588.db2.gz YNFHYSUPLXRSNG-XLWJZTARSA-N 2 1 234.387 2.236 20 0 BEADMP CCC(CC)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869226 584814515 /nfs/dbraw/zinc/81/45/15/584814515.db2.gz DVWVUTKSMRGUFU-CYBMUJFWSA-N 2 1 210.365 2.251 20 0 BEADMP FC1(F)CC[C@@H](C[N@@H+]2CCC[C@]23CC[NH2+]C3)C1 ZINC000903872231 584815021 /nfs/dbraw/zinc/81/50/21/584815021.db2.gz XIIFHAMOOVGJLK-VXGBXAGGSA-N 2 1 244.329 2.250 20 0 BEADMP FC1(F)CC[C@@H](C[N@H+]2CCC[C@]23CC[NH2+]C3)C1 ZINC000903872231 584815023 /nfs/dbraw/zinc/81/50/23/584815023.db2.gz XIIFHAMOOVGJLK-VXGBXAGGSA-N 2 1 244.329 2.250 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]([NH3+])CC(F)F)[C@H]2CCCC[C@@H]12 ZINC000903903515 584821033 /nfs/dbraw/zinc/82/10/33/584821033.db2.gz UXFQUUBPMLZLGQ-WYUUTHIRSA-N 2 1 246.345 2.479 20 0 BEADMP C[C@@H]1CC[C@@]2(CC[N@H+](C[C@H]([NH3+])CC(F)F)C2)C1 ZINC000903903575 584821203 /nfs/dbraw/zinc/82/12/03/584821203.db2.gz VWLPCKNEXVLGIH-NQBHXWOUSA-N 2 1 246.345 2.481 20 0 BEADMP C[C@@H]1CC[C@@]2(CC[N@@H+](C[C@H]([NH3+])CC(F)F)C2)C1 ZINC000903903575 584821205 /nfs/dbraw/zinc/82/12/05/584821205.db2.gz VWLPCKNEXVLGIH-NQBHXWOUSA-N 2 1 246.345 2.481 20 0 BEADMP C[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)CC12CCC2 ZINC000903913464 584822695 /nfs/dbraw/zinc/82/26/95/584822695.db2.gz CNUYCZTYIIHYBS-GHMZBOCLSA-N 2 1 246.345 2.481 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)CC12CCC2 ZINC000903913464 584822696 /nfs/dbraw/zinc/82/26/96/584822696.db2.gz CNUYCZTYIIHYBS-GHMZBOCLSA-N 2 1 246.345 2.481 20 0 BEADMP Cc1ccccc1CC[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903921564 584823013 /nfs/dbraw/zinc/82/30/13/584823013.db2.gz PEWISPBNCRPYOX-LBPRGKRZSA-N 2 1 242.313 2.110 20 0 BEADMP C[C@@H]1CC(C)(C)C[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000903929185 584824371 /nfs/dbraw/zinc/82/43/71/584824371.db2.gz BMZXJIGGAGSABT-RKDXNWHRSA-N 2 1 220.307 2.089 20 0 BEADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCC(C)(C)[NH3+] ZINC000903939440 584825951 /nfs/dbraw/zinc/82/59/51/584825951.db2.gz HKQSTWLKVZNXHO-STQMWFEESA-N 3 1 241.423 2.014 20 0 BEADMP CC[C@H](C[NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000903960328 584828151 /nfs/dbraw/zinc/82/81/51/584828151.db2.gz DWCODDCNDVRPPN-UMVBOHGHSA-N 2 1 232.371 2.378 20 0 BEADMP C[C@H](CCc1ccsc1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903963599 584833358 /nfs/dbraw/zinc/83/33/58/584833358.db2.gz BWAZKLVTRVFXEJ-NQBHXWOUSA-N 2 1 238.400 2.267 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cscc1Cl ZINC000903964840 584834545 /nfs/dbraw/zinc/83/45/45/584834545.db2.gz SFFBUVNODTXMPE-BDAKNGLRSA-N 2 1 244.791 2.347 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@@H](C)c1ccccc1 ZINC000903965081 584834608 /nfs/dbraw/zinc/83/46/08/584834608.db2.gz ZOHQEOHGKYFVPN-GUIRCDHDSA-N 2 1 232.371 2.376 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[NH2+]C(C)(C)/C=C\Cl ZINC000903987411 584835885 /nfs/dbraw/zinc/83/58/85/584835885.db2.gz GBHTVTLBOOAZRT-WWQCOOJYSA-N 2 1 218.772 2.481 20 0 BEADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCc2ccccc21 ZINC000904307948 584862747 /nfs/dbraw/zinc/86/27/47/584862747.db2.gz ZJJZAKSXUSANIJ-OSAQELSMSA-N 2 1 230.355 2.343 20 0 BEADMP C[C@@H]1CCC[C@H](C)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904321657 584864059 /nfs/dbraw/zinc/86/40/59/584864059.db2.gz BAGFPDPJSWEANE-XQHKEYJVSA-N 2 1 210.365 2.234 20 0 BEADMP CCCC[N@@H+](CCOC)C[C@]1(C)CCC[NH2+]C1 ZINC000904321530 584864271 /nfs/dbraw/zinc/86/42/71/584864271.db2.gz ZNWXRYJKAYFZGQ-CQSZACIVSA-N 2 1 242.407 2.125 20 0 BEADMP Cc1cccc2c1CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904318787 584864290 /nfs/dbraw/zinc/86/42/90/584864290.db2.gz WBPQCOLMFRGXIA-XBXGTLAGSA-N 2 1 230.355 2.090 20 0 BEADMP Cc1ccncc1C[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904341299 584867193 /nfs/dbraw/zinc/86/71/93/584867193.db2.gz MYAQRWLQYRVNMM-HNNXBMFYSA-N 2 1 247.386 2.212 20 0 BEADMP Cc1ccncc1C[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904341299 584867194 /nfs/dbraw/zinc/86/71/94/584867194.db2.gz MYAQRWLQYRVNMM-HNNXBMFYSA-N 2 1 247.386 2.212 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2C2CCC2)C1 ZINC000904373651 584873716 /nfs/dbraw/zinc/87/37/16/584873716.db2.gz HTVULQONOSCDHU-KWCYVHTRSA-N 2 1 222.376 2.378 20 0 BEADMP C[N@@H+](C[C@H]1CC1(C)C)C[C@]1(C)CCC[NH2+]C1 ZINC000904378498 584876176 /nfs/dbraw/zinc/87/61/76/584876176.db2.gz DVBXQPRSLZWICC-TZMCWYRMSA-N 2 1 224.392 2.354 20 0 BEADMP Cc1ccsc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904411814 584879828 /nfs/dbraw/zinc/87/98/28/584879828.db2.gz NPSQALISNHPADP-RYUDHWBXSA-N 2 1 238.400 2.473 20 0 BEADMP Cc1ccsc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420830 584882399 /nfs/dbraw/zinc/88/23/99/584882399.db2.gz HRSUAEGVFIDGKS-NWDGAFQWSA-N 2 1 236.384 2.098 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CCNc2ccccc2)CC[N@H+]1C ZINC000766514474 584942159 /nfs/dbraw/zinc/94/21/59/584942159.db2.gz GSTYXIIECQKTHW-ZFWWWQNUSA-N 2 1 247.386 2.171 20 0 BEADMP Cn1ccnc1[C@H]1CC[N@@H+](C[Si](C)(C)C)C1 ZINC000757641866 585343590 /nfs/dbraw/zinc/34/35/90/585343590.db2.gz IFVNJGUXNCSIEH-NSHDSACASA-N 2 1 237.423 2.087 20 0 BEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCF)CC1 ZINC000759339323 585368810 /nfs/dbraw/zinc/36/88/10/585368810.db2.gz MLXYIXZHOWSBEW-UHFFFAOYSA-N 2 1 216.344 2.008 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@@H]2CCc3ccccc32)CC1 ZINC000765904084 585493637 /nfs/dbraw/zinc/49/36/37/585493637.db2.gz JUKSWZKRWONDOI-AWEZNQCLSA-N 2 1 244.382 2.400 20 0 BEADMP CN(Cc1ccoc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000768545933 585540085 /nfs/dbraw/zinc/54/00/85/585540085.db2.gz GMQGWXXKUARCHY-GFCCVEGCSA-N 2 1 222.332 2.053 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(C)o1 ZINC000769403143 585555631 /nfs/dbraw/zinc/55/56/31/585555631.db2.gz FDLSKPUPUKUGBH-ZDUSSCGKSA-N 2 1 236.359 2.280 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(C)o1 ZINC000769403143 585555632 /nfs/dbraw/zinc/55/56/32/585555632.db2.gz FDLSKPUPUKUGBH-ZDUSSCGKSA-N 2 1 236.359 2.280 20 0 BEADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)CCO ZINC000779398047 585753480 /nfs/dbraw/zinc/75/34/80/585753480.db2.gz DDRSRRJEGHACGM-KGLIPLIRSA-N 2 1 242.407 2.002 20 0 BEADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)CCO ZINC000779398047 585753481 /nfs/dbraw/zinc/75/34/81/585753481.db2.gz DDRSRRJEGHACGM-KGLIPLIRSA-N 2 1 242.407 2.002 20 0 BEADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C2CC2)C1 ZINC000782184314 585810745 /nfs/dbraw/zinc/81/07/45/585810745.db2.gz CMYOUDDLXHQEMN-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C2CC2)C1 ZINC000782184315 585810852 /nfs/dbraw/zinc/81/08/52/585810852.db2.gz CMYOUDDLXHQEMN-QWHCGFSZSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2c2ccc[nH]2)CC1 ZINC000788487235 585925690 /nfs/dbraw/zinc/92/56/90/585925690.db2.gz FKULEZBWKNMJKI-HNNXBMFYSA-N 2 1 247.386 2.493 20 0 BEADMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H]1CCC=CO1 ZINC000798957378 586154470 /nfs/dbraw/zinc/15/44/70/586154470.db2.gz ASYZXAMWFLSJNJ-AWEZNQCLSA-N 2 1 238.375 2.097 20 0 BEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CCC=CO1 ZINC000798957378 586154471 /nfs/dbraw/zinc/15/44/71/586154471.db2.gz ASYZXAMWFLSJNJ-AWEZNQCLSA-N 2 1 238.375 2.097 20 0 BEADMP CC(C)C(=O)CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000808754433 586488059 /nfs/dbraw/zinc/48/80/59/586488059.db2.gz LSKKCJBPVASXBE-CYBMUJFWSA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)C(=O)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000808754433 586488060 /nfs/dbraw/zinc/48/80/60/586488060.db2.gz LSKKCJBPVASXBE-CYBMUJFWSA-N 2 1 240.391 2.018 20 0 BEADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccoc2)C1 ZINC000809767221 586518286 /nfs/dbraw/zinc/51/82/86/586518286.db2.gz HTRWFMUTCUUMKN-KBPBESRZSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccoc2)C1 ZINC000809767221 586518287 /nfs/dbraw/zinc/51/82/87/586518287.db2.gz HTRWFMUTCUUMKN-KBPBESRZSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccoc2)C1 ZINC000809767221 586518288 /nfs/dbraw/zinc/51/82/88/586518288.db2.gz HTRWFMUTCUUMKN-KBPBESRZSA-N 2 1 234.343 2.196 20 0 BEADMP CSC(C)(C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000817897892 586834785 /nfs/dbraw/zinc/83/47/85/586834785.db2.gz AOIGKXJDVSDJQR-VIFPVBQESA-N 2 1 239.388 2.286 20 0 BEADMP C[C@H](CSC(C)(C)C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000817951662 586848298 /nfs/dbraw/zinc/84/82/98/586848298.db2.gz JBSIXHJOFIFLIV-MNOVXSKESA-N 2 1 230.421 2.248 20 0 BEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc2c(c1)CCO2 ZINC000817959103 586851299 /nfs/dbraw/zinc/85/12/99/586851299.db2.gz CGKIJAZJVNYGFR-IINYFYTJSA-N 2 1 246.354 2.009 20 0 BEADMP CCOc1cccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000817961199 586852651 /nfs/dbraw/zinc/85/26/51/586852651.db2.gz VIUXKGPQVDZBSV-XHDPSFHLSA-N 2 1 248.370 2.473 20 0 BEADMP CCOc1cccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000817965467 586854144 /nfs/dbraw/zinc/85/41/44/586854144.db2.gz QZLWXVHDBSOOSD-ABAIWWIYSA-N 2 1 248.370 2.473 20 0 BEADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc2c(c1)CCO2 ZINC000817964737 586854219 /nfs/dbraw/zinc/85/42/19/586854219.db2.gz GOFXKQKMMCDLGY-IINYFYTJSA-N 2 1 246.354 2.009 20 0 BEADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC000817966069 586855461 /nfs/dbraw/zinc/85/54/61/586855461.db2.gz FPZKJTOTKURZOE-ZJUUUORDSA-N 2 1 210.296 2.132 20 0 BEADMP COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1C ZINC000817970031 586856557 /nfs/dbraw/zinc/85/65/57/586856557.db2.gz JSYOZTFHSUTDIL-NWDGAFQWSA-N 2 1 236.359 2.310 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000817969940 586856905 /nfs/dbraw/zinc/85/69/05/586856905.db2.gz IKNBHNRUNIMTEZ-QNWHQSFQSA-N 2 1 210.365 2.282 20 0 BEADMP CCOc1cccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])c1 ZINC000817972163 586859833 /nfs/dbraw/zinc/85/98/33/586859833.db2.gz UQKZXDFZBOSAMF-GHMZBOCLSA-N 2 1 222.332 2.083 20 0 BEADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000817973511 586860407 /nfs/dbraw/zinc/86/04/07/586860407.db2.gz UQMXLJZBDOZWAO-VHSXEESVSA-N 2 1 210.296 2.132 20 0 BEADMP CCOc1cccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])c1 ZINC000817977469 586861557 /nfs/dbraw/zinc/86/15/57/586861557.db2.gz KTRWHKKLJSNFTQ-SRVKXCTJSA-N 2 1 236.359 2.472 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000817979152 586861683 /nfs/dbraw/zinc/86/16/83/586861683.db2.gz IGVPBYZZNVKORJ-GWCFXTLKSA-N 2 1 234.343 2.009 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000817979515 586862023 /nfs/dbraw/zinc/86/20/23/586862023.db2.gz LEMBSUQVMVWGGO-GXTWGEPZSA-N 2 1 218.344 2.309 20 0 BEADMP CC(C)(C)SCC[N@H+]1CCc2nc[nH]c2C1 ZINC000821269130 587104451 /nfs/dbraw/zinc/10/44/51/587104451.db2.gz DREKBBSVZZNEBJ-UHFFFAOYSA-N 2 1 239.388 2.300 20 0 BEADMP CC(C)(C)SCCN1CCc2nc[nH]c2C1 ZINC000821269130 587104452 /nfs/dbraw/zinc/10/44/52/587104452.db2.gz DREKBBSVZZNEBJ-UHFFFAOYSA-N 2 1 239.388 2.300 20 0 BEADMP CCCCCC[N@H+]1CCn2cncc2C1 ZINC000821269495 587104494 /nfs/dbraw/zinc/10/44/94/587104494.db2.gz FCIUWPAUPQUJBZ-UHFFFAOYSA-N 2 1 207.321 2.279 20 0 BEADMP CCCCCC[N@H+]1CCc2nc[nH]c2C1 ZINC000821270708 587104721 /nfs/dbraw/zinc/10/47/21/587104721.db2.gz NNNANMWEINOLPU-UHFFFAOYSA-N 2 1 207.321 2.348 20 0 BEADMP CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C(C)C ZINC000824548136 587275208 /nfs/dbraw/zinc/27/52/08/587275208.db2.gz ICVCPMCZQKIQMH-UHFFFAOYSA-N 2 1 244.342 2.498 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1cc(C)c(OC)c(C)c1 ZINC000841071152 587943192 /nfs/dbraw/zinc/94/31/92/587943192.db2.gz ZBEFMYJYKUDVFX-CYBMUJFWSA-N 2 1 236.359 2.139 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1cnc2ccccc2c1 ZINC000841073540 587944360 /nfs/dbraw/zinc/94/43/60/587944360.db2.gz YUZBVYFNKZQZES-CYBMUJFWSA-N 2 1 229.327 2.062 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCc1cccs1 ZINC000842476763 588029564 /nfs/dbraw/zinc/02/95/64/588029564.db2.gz VBQKHRJCUZGDRA-WZRBSPASSA-N 2 1 238.400 2.267 20 0 BEADMP Cc1cccc2c1CC[N@@H+](C[C@]1(C)CC[NH2+]C1)C2 ZINC000843063896 588078794 /nfs/dbraw/zinc/07/87/94/588078794.db2.gz SWSBNAFLWCZITD-MRXNPFEDSA-N 2 1 244.382 2.353 20 0 BEADMP C[C@@H](N)[C@H]1CCCC[N@H+]1CCCCCCC[NH3+] ZINC000843347953 588102406 /nfs/dbraw/zinc/10/24/06/588102406.db2.gz YXEAJFDMSLKFBW-ZIAGYGMSSA-N 2 1 241.423 2.097 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCCCN1CCCCCCC[NH3+] ZINC000843347953 588102408 /nfs/dbraw/zinc/10/24/08/588102408.db2.gz YXEAJFDMSLKFBW-ZIAGYGMSSA-N 2 1 241.423 2.097 20 0 BEADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccnc(Cl)c1 ZINC000843356110 588103418 /nfs/dbraw/zinc/10/34/18/588103418.db2.gz QVKAEVXEGLATDN-LBPRGKRZSA-N 2 1 241.766 2.198 20 0 BEADMP Cl/C=C\C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000846220767 588259984 /nfs/dbraw/zinc/25/99/84/588259984.db2.gz PTNWAUUOOZYMGF-VCUMLDNESA-N 2 1 228.767 2.203 20 0 BEADMP Cl/C=C\C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000846220767 588259985 /nfs/dbraw/zinc/25/99/85/588259985.db2.gz PTNWAUUOOZYMGF-VCUMLDNESA-N 2 1 228.767 2.203 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000846219039 588260863 /nfs/dbraw/zinc/26/08/63/588260863.db2.gz DFPBIWTYDBQHEH-ZIAGYGMSSA-N 2 1 240.391 2.006 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000846220376 588261032 /nfs/dbraw/zinc/26/10/32/588261032.db2.gz HOFSEUPKUYPSEN-CQSZACIVSA-N 2 1 247.386 2.390 20 0 BEADMP C[NH2+]CCC[N@@H+](C)[C@H]1C[C@H]1c1ccccc1 ZINC000846222424 588261664 /nfs/dbraw/zinc/26/16/64/588261664.db2.gz OIEXAJXZUMXAEG-KBPBESRZSA-N 2 1 218.344 2.084 20 0 BEADMP C[C@@H]1C[C@@H]1C(N)=[NH+]OCCC[NH+]1CCCCC1 ZINC000848516926 588389508 /nfs/dbraw/zinc/38/95/08/588389508.db2.gz BKURCJPKWXQFEX-NEPJUHHUSA-N 2 1 239.363 2.017 20 0 BEADMP Cc1ccc(NC(=[NH2+])NC[C@@H](C)[NH+](C)C)cc1C ZINC000848996685 588429569 /nfs/dbraw/zinc/42/95/69/588429569.db2.gz PUWCFGAPYDYNCB-GFCCVEGCSA-N 2 1 248.374 2.190 20 0 BEADMP CN1CC[C@]2(C1)CCC[N@@H+](C[Si](C)(C)C)C2 ZINC000852108973 588664301 /nfs/dbraw/zinc/66/43/01/588664301.db2.gz RKDDYQVZKQAYFA-ZDUSSCGKSA-N 2 1 240.467 2.282 20 0 BEADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[Si](C)(C)C)C2 ZINC000852108973 588664302 /nfs/dbraw/zinc/66/43/02/588664302.db2.gz RKDDYQVZKQAYFA-ZDUSSCGKSA-N 2 1 240.467 2.282 20 0 BEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[Si](C)(C)C)C2 ZINC000852108973 588664303 /nfs/dbraw/zinc/66/43/03/588664303.db2.gz RKDDYQVZKQAYFA-ZDUSSCGKSA-N 2 1 240.467 2.282 20 0 BEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[Si](C)(C)C)C2 ZINC000852108973 588664304 /nfs/dbraw/zinc/66/43/04/588664304.db2.gz RKDDYQVZKQAYFA-ZDUSSCGKSA-N 2 1 240.467 2.282 20 0 BEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[Si](C)(C)C)C2 ZINC000852108973 588664305 /nfs/dbraw/zinc/66/43/05/588664305.db2.gz RKDDYQVZKQAYFA-ZDUSSCGKSA-N 2 1 240.467 2.282 20 0 BEADMP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000852751356 588700359 /nfs/dbraw/zinc/70/03/59/588700359.db2.gz YWQJNDUBAGVXGQ-LXTVHRRPSA-N 2 1 234.387 2.251 20 0 BEADMP CC(C)[C@H]1CC[C@H]1[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000863546714 589296054 /nfs/dbraw/zinc/29/60/54/589296054.db2.gz MZVLZKLQHUQNNS-YVECIDJPSA-N 2 1 210.365 2.151 20 0 BEADMP Cc1ccccc1CCC[N@@H+](C)C[C@H](C)[NH3+] ZINC000863568322 589296301 /nfs/dbraw/zinc/29/63/01/589296301.db2.gz JXNBJLVREMLWPS-ZDUSSCGKSA-N 2 1 220.360 2.207 20 0 BEADMP Cc1ccccc1CCC[N@H+](C)C[C@H](C)[NH3+] ZINC000863568322 589296303 /nfs/dbraw/zinc/29/63/03/589296303.db2.gz JXNBJLVREMLWPS-ZDUSSCGKSA-N 2 1 220.360 2.207 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CCc2c(O)cccc2C1 ZINC000863557720 589298971 /nfs/dbraw/zinc/29/89/71/589298971.db2.gz PQLDAIZTFMUFLA-UHFFFAOYSA-N 2 1 248.370 2.269 20 0 BEADMP C[C@H]([NH3+])C[N@@H+](C)CC[C@H]1CCC[C@H](C)C1 ZINC000863567090 589299653 /nfs/dbraw/zinc/29/96/53/589299653.db2.gz AXNAUSJGABEUBV-RWMBFGLXSA-N 2 1 212.381 2.482 20 0 BEADMP CS[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000865733260 589459040 /nfs/dbraw/zinc/45/90/40/589459040.db2.gz GSQRQQHTWZHUQP-FDYHWXHSSA-N 2 1 240.416 2.097 20 0 BEADMP FC1(F)CC[C@H](C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000866665271 589509344 /nfs/dbraw/zinc/50/93/44/589509344.db2.gz AXTHTEVHFDVYIZ-RYUDHWBXSA-N 2 1 244.329 2.250 20 0 BEADMP FC1(F)CC[C@H](C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000866665271 589509356 /nfs/dbraw/zinc/50/93/56/589509356.db2.gz AXTHTEVHFDVYIZ-RYUDHWBXSA-N 2 1 244.329 2.250 20 0 BEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCCC1CC1 ZINC000866665632 589509631 /nfs/dbraw/zinc/50/96/31/589509631.db2.gz FVEUYONXFUYWKM-NTZNESFSSA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C/C=C/Cl)C1 ZINC000866709047 589514370 /nfs/dbraw/zinc/51/43/70/589514370.db2.gz VKOVQWUPUDWHBJ-FUEXJSSKSA-N 2 1 230.783 2.436 20 0 BEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C/C=C\Cl)C1 ZINC000866709049 589514376 /nfs/dbraw/zinc/51/43/76/589514376.db2.gz VKOVQWUPUDWHBJ-RNZFLTOJSA-N 2 1 230.783 2.436 20 0 BEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCCF)C1 ZINC000866709704 589514505 /nfs/dbraw/zinc/51/45/05/589514505.db2.gz ZBNGTQHCPVPSNY-LBPRGKRZSA-N 2 1 216.344 2.043 20 0 BEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccncc2)C1 ZINC000866706415 589514690 /nfs/dbraw/zinc/51/46/90/589514690.db2.gz HZTMUZXNUSBNLU-OAHLLOKOSA-N 2 1 247.386 2.279 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866706699 589514739 /nfs/dbraw/zinc/51/47/39/589514739.db2.gz CBRCWGPTCHANEN-DYEKYZERSA-N 2 1 224.392 2.339 20 0 BEADMP CN(CC[N@@H+](C)C1CC1)c1cc[nH+]cc1C1CC1 ZINC000872513707 589945945 /nfs/dbraw/zinc/94/59/45/589945945.db2.gz YWICMIXOHIDNTE-UHFFFAOYSA-N 2 1 245.370 2.489 20 0 BEADMP C[C@@H]1C[N@H+](CC(C)(C)[NH3+])Cc2ccccc21 ZINC000873227617 590000356 /nfs/dbraw/zinc/00/03/56/590000356.db2.gz LVCIXXZSYHSWBQ-LLVKDONJSA-N 2 1 218.344 2.343 20 0 BEADMP C[C@@H]1C[N@@H+](CC(C)(C)[NH3+])Cc2ccccc21 ZINC000873227617 590000358 /nfs/dbraw/zinc/00/03/58/590000358.db2.gz LVCIXXZSYHSWBQ-LLVKDONJSA-N 2 1 218.344 2.343 20 0 BEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC2(F)CC2)C1 ZINC000873223610 590000923 /nfs/dbraw/zinc/00/09/23/590000923.db2.gz PAXHFJNCPOQFFM-GFCCVEGCSA-N 2 1 228.355 2.185 20 0 BEADMP CC1(C)CC[C@H](C[NH2+][C@@H]2CCCSC2)[NH2+]C1 ZINC000873236740 590003893 /nfs/dbraw/zinc/00/38/93/590003893.db2.gz JJWQAMFSIAAJOD-VXGBXAGGSA-N 2 1 242.432 2.250 20 0 BEADMP COCCC[C@@H](C)[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873236919 590004436 /nfs/dbraw/zinc/00/44/36/590004436.db2.gz KTKJSOPWXMYLEB-OLZOCXBDSA-N 2 1 242.407 2.169 20 0 BEADMP Cc1ccc(OCC[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000124595859 590061217 /nfs/dbraw/zinc/06/12/17/590061217.db2.gz MPGOWJJYQHADGT-KBPBESRZSA-N 2 1 248.370 2.185 20 0 BEADMP CC1([NH2+]C2CC[NH+](C3CC3)CC2)CC(F)(F)C1 ZINC000877833238 590429971 /nfs/dbraw/zinc/42/99/71/590429971.db2.gz DTSJGVKTTQCYHG-UHFFFAOYSA-N 2 1 244.329 2.391 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC000878105266 590494725 /nfs/dbraw/zinc/49/47/25/590494725.db2.gz ZANDLTNUOSUUIG-ZDUSSCGKSA-N 2 1 236.403 2.450 20 0 BEADMP C=C/C=C/CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000878645264 590600509 /nfs/dbraw/zinc/60/05/09/590600509.db2.gz JEYUVGNBJYNHJE-NNTXTVRGSA-N 2 1 220.360 2.146 20 0 BEADMP CC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702086 590852081 /nfs/dbraw/zinc/85/20/81/590852081.db2.gz FOMBCYUAUJICHX-UHFFFAOYSA-N 2 1 212.381 2.306 20 0 BEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](CF)C1 ZINC000880295311 590989656 /nfs/dbraw/zinc/98/96/56/590989656.db2.gz JWBVFNTVTPONEU-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](CF)C1 ZINC000880295311 590989658 /nfs/dbraw/zinc/98/96/58/590989658.db2.gz JWBVFNTVTPONEU-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](CF)C1 ZINC000880295311 590989659 /nfs/dbraw/zinc/98/96/59/590989659.db2.gz JWBVFNTVTPONEU-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP FC[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000880298722 590992746 /nfs/dbraw/zinc/99/27/46/590992746.db2.gz IWVDPYXUEMHTKQ-ZDUSSCGKSA-N 2 1 228.355 2.154 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883416015 591652867 /nfs/dbraw/zinc/65/28/67/591652867.db2.gz JWNBXQTZFQLHBA-NWDGAFQWSA-N 2 1 246.345 2.483 20 0 BEADMP C[N@@H+](CCC[NH3+])C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000883418100 591654459 /nfs/dbraw/zinc/65/44/59/591654459.db2.gz XDOVLWWUAPEBEN-LSDHHAIUSA-N 2 1 248.370 2.187 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883424101 591658287 /nfs/dbraw/zinc/65/82/87/591658287.db2.gz GBEXPGHCUCBGQQ-SRVKXCTJSA-N 2 1 246.345 2.481 20 0 BEADMP C[N@@H+](CC[C@@H]1CCCC1(F)F)CC(C)(C)[NH3+] ZINC000883435008 591664936 /nfs/dbraw/zinc/66/49/36/591664936.db2.gz HSWUIZYAPSHHDL-JTQLQIEISA-N 2 1 234.334 2.481 20 0 BEADMP c1ccc2c(c1)OCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000132118036 591687923 /nfs/dbraw/zinc/68/79/23/591687923.db2.gz XHBIAOWJFZFSII-GXTWGEPZSA-N 2 1 246.354 2.099 20 0 BEADMP CSCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000134022766 591875365 /nfs/dbraw/zinc/87/53/65/591875365.db2.gz ZRVXCJCKIIBMDI-QJPTWQEYSA-N 2 1 230.421 2.200 20 0 BEADMP CSCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000134022766 591875367 /nfs/dbraw/zinc/87/53/67/591875367.db2.gz ZRVXCJCKIIBMDI-QJPTWQEYSA-N 2 1 230.421 2.200 20 0 BEADMP CCc1nccc(NCC[N@H+]2CCCC2(C)C)n1 ZINC000884525344 591965777 /nfs/dbraw/zinc/96/57/77/591965777.db2.gz SHWNUEARVQFFAO-UHFFFAOYSA-N 2 1 248.374 2.325 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110127 592314393 /nfs/dbraw/zinc/31/43/93/592314393.db2.gz VUPKIEMVCGGHSY-HNNXBMFYSA-N 2 1 232.371 2.460 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110127 592314396 /nfs/dbraw/zinc/31/43/96/592314396.db2.gz VUPKIEMVCGGHSY-HNNXBMFYSA-N 2 1 232.371 2.460 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110127 592314400 /nfs/dbraw/zinc/31/44/00/592314400.db2.gz VUPKIEMVCGGHSY-HNNXBMFYSA-N 2 1 232.371 2.460 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886860273 592369233 /nfs/dbraw/zinc/36/92/33/592369233.db2.gz YGXJYBMBYVNFSB-ZIAGYGMSSA-N 2 1 240.391 2.006 20 0 BEADMP c1cc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)ccn1 ZINC000886874751 592377980 /nfs/dbraw/zinc/37/79/80/592377980.db2.gz WDZROXKLGKCQGP-HNNXBMFYSA-N 2 1 245.370 2.047 20 0 BEADMP c1cc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)ccn1 ZINC000886874751 592377984 /nfs/dbraw/zinc/37/79/84/592377984.db2.gz WDZROXKLGKCQGP-HNNXBMFYSA-N 2 1 245.370 2.047 20 0 BEADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCC1CC1 ZINC000887132782 592449620 /nfs/dbraw/zinc/44/96/20/592449620.db2.gz MUZLOJAIBWQRBG-CYBMUJFWSA-N 2 1 245.370 2.392 20 0 BEADMP COC(C)(C)CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300067105 592502291 /nfs/dbraw/zinc/50/22/91/592502291.db2.gz QTJUNDPTUFDZHM-STQMWFEESA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccc2c(c1)COC2 ZINC000302663650 592551703 /nfs/dbraw/zinc/55/17/03/592551703.db2.gz JSGCFZBQJAODFB-HNNXBMFYSA-N 2 1 248.370 2.180 20 0 BEADMP CSCCC[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205984588 984217083 /nfs/dbraw/zinc/21/70/83/984217083.db2.gz SJLDELXFGLMRQL-VXGBXAGGSA-N 2 1 230.421 2.046 20 0 BEADMP CSCCC[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205984582 984217104 /nfs/dbraw/zinc/21/71/04/984217104.db2.gz SJLDELXFGLMRQL-NWDGAFQWSA-N 2 1 230.421 2.046 20 0 BEADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000299929197 634402139 /nfs/dbraw/zinc/40/21/39/634402139.db2.gz OHENXFWTBXJNFY-OCCSQVGLSA-N 2 1 245.370 2.000 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000299929197 634402144 /nfs/dbraw/zinc/40/21/44/634402144.db2.gz OHENXFWTBXJNFY-OCCSQVGLSA-N 2 1 245.370 2.000 20 0 BEADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000299929717 634403174 /nfs/dbraw/zinc/40/31/74/634403174.db2.gz UOYWAFDNDQQOND-OCCSQVGLSA-N 2 1 245.370 2.000 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000299929717 634403178 /nfs/dbraw/zinc/40/31/78/634403178.db2.gz UOYWAFDNDQQOND-OCCSQVGLSA-N 2 1 245.370 2.000 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000925712320 634412754 /nfs/dbraw/zinc/41/27/54/634412754.db2.gz OOZTZZFSUXTEKW-NNYUYHANSA-N 2 1 248.773 2.421 20 0 BEADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCS1 ZINC000253056077 634468810 /nfs/dbraw/zinc/46/88/10/634468810.db2.gz AOSMSEJPAJJCTA-CHWSQXEVSA-N 2 1 242.432 2.204 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000125577597 634565558 /nfs/dbraw/zinc/56/55/58/634565558.db2.gz AJZCAGQMIPGRKK-SNVBAGLBSA-N 2 1 240.297 2.136 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000925733407 634578469 /nfs/dbraw/zinc/57/84/69/634578469.db2.gz IOJAWUNQCJVQOR-DGCLKSJQSA-N 2 1 222.376 2.297 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CC1CCCCC1 ZINC000082560652 631406969 /nfs/dbraw/zinc/40/69/69/631406969.db2.gz DPWUULMBKWDITJ-OCCSQVGLSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@H]1CC[C@@H]1[NH2+]CC[N@H+](C)C1CCCC1 ZINC000308805622 631502778 /nfs/dbraw/zinc/50/27/78/631502778.db2.gz MGJKAPLTMDZSAS-AAEUAGOBSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1CC[C@@H]1[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000308805622 631502783 /nfs/dbraw/zinc/50/27/83/631502783.db2.gz MGJKAPLTMDZSAS-AAEUAGOBSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H](C[N@H+]1CCC[C@H](C[NH3+])C1)C(C)(C)C ZINC000308839013 631677241 /nfs/dbraw/zinc/67/72/41/631677241.db2.gz XUZNTULKTWUHMB-NWDGAFQWSA-N 2 1 212.381 2.339 20 0 BEADMP C[C@H](C[N@H+]1CCC[C@H](C[NH3+])C1)C(C)(C)C ZINC000308839017 631677448 /nfs/dbraw/zinc/67/74/48/631677448.db2.gz XUZNTULKTWUHMB-VXGBXAGGSA-N 2 1 212.381 2.339 20 0 BEADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCc1cccs1 ZINC000308964395 631772312 /nfs/dbraw/zinc/77/23/12/631772312.db2.gz LLKLITOPYRKHFM-LBPRGKRZSA-N 2 1 226.389 2.254 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCc1cccs1 ZINC000049712297 631908368 /nfs/dbraw/zinc/90/83/68/631908368.db2.gz DDKJDMUDZFHXEL-GHMZBOCLSA-N 2 1 224.373 2.102 20 0 BEADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(C)(C)C ZINC000051919606 632013719 /nfs/dbraw/zinc/01/37/19/632013719.db2.gz KOUUQCDTXUPYTD-GFCCVEGCSA-N 2 1 212.381 2.354 20 0 BEADMP C[C@H](Cc1ccco1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252185402 635709402 /nfs/dbraw/zinc/70/94/02/635709402.db2.gz UFBUHDMHGGVYHC-UPJWGTAASA-N 2 1 236.359 2.283 20 0 BEADMP C[C@H](Cc1ccco1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252185402 635709408 /nfs/dbraw/zinc/70/94/08/635709408.db2.gz UFBUHDMHGGVYHC-UPJWGTAASA-N 2 1 236.359 2.283 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000227056372 632414458 /nfs/dbraw/zinc/41/44/58/632414458.db2.gz ZMRSGTGXXAFISQ-DZGCQCFKSA-N 2 1 232.371 2.473 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000252969957 632564976 /nfs/dbraw/zinc/56/49/76/632564976.db2.gz WRIPMOIYFYFAPJ-KGYLQXTDSA-N 2 1 210.365 2.140 20 0 BEADMP CCC[C@@H](C)[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000219755423 632565469 /nfs/dbraw/zinc/56/54/69/632565469.db2.gz LUXODJLMFNOTAY-OLZOCXBDSA-N 2 1 212.381 2.497 20 0 BEADMP CC(C)[C@H](C)[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000219755110 632565596 /nfs/dbraw/zinc/56/55/96/632565596.db2.gz POZKBXFBYCFORJ-STQMWFEESA-N 2 1 212.381 2.352 20 0 BEADMP CC[C@@H](c1ccccc1)[N@H+](C)C[C@H](C)[NH3+] ZINC000309029868 632618569 /nfs/dbraw/zinc/61/85/69/632618569.db2.gz ASPUYPXYSGMAFD-AAEUAGOBSA-N 2 1 206.333 2.417 20 0 BEADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@H](C)[NH3+] ZINC000309029868 632618575 /nfs/dbraw/zinc/61/85/75/632618575.db2.gz ASPUYPXYSGMAFD-AAEUAGOBSA-N 2 1 206.333 2.417 20 0 BEADMP Cc1ncoc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000894308525 635833872 /nfs/dbraw/zinc/83/38/72/635833872.db2.gz PVOHBTLQQXFXTP-YHWZYXNKSA-N 2 1 249.358 2.088 20 0 BEADMP Cc1ncoc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000894308525 635833873 /nfs/dbraw/zinc/83/38/73/635833873.db2.gz PVOHBTLQQXFXTP-YHWZYXNKSA-N 2 1 249.358 2.088 20 0 BEADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCOCC2CC2)c2ccccc21 ZINC000236302513 632915128 /nfs/dbraw/zinc/91/51/28/632915128.db2.gz HTNDBBWQLMWTIN-HUUCEWRRSA-N 2 1 246.354 2.147 20 0 BEADMP c1ccc(CCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000311006160 633050338 /nfs/dbraw/zinc/05/03/38/633050338.db2.gz JFCLQNMOEKXLHJ-JKSUJKDBSA-N 2 1 244.382 2.161 20 0 BEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccoc2)C1 ZINC000163817395 633065284 /nfs/dbraw/zinc/06/52/84/633065284.db2.gz TUQOTQDDNHMNJF-LBPRGKRZSA-N 2 1 222.332 2.101 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccoc2)C1 ZINC000163817395 633065288 /nfs/dbraw/zinc/06/52/88/633065288.db2.gz TUQOTQDDNHMNJF-LBPRGKRZSA-N 2 1 222.332 2.101 20 0 BEADMP CC(C)[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000166318347 633109721 /nfs/dbraw/zinc/10/97/21/633109721.db2.gz UBDYEKJHLLLXNO-AGIUHOORSA-N 2 1 210.365 2.092 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CC(C(F)F)C1 ZINC000309629721 633214748 /nfs/dbraw/zinc/21/47/48/633214748.db2.gz HJTADYACADUWCT-WHXUTIOJSA-N 2 1 234.334 2.350 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000925532185 633925348 /nfs/dbraw/zinc/92/53/48/633925348.db2.gz FARJYHSJRTUJEM-ZFWWWQNUSA-N 2 1 244.382 2.448 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]C1[C@H](C)CC[C@H]1C ZINC000309783259 634008402 /nfs/dbraw/zinc/00/84/02/634008402.db2.gz NKFNIGMBTVSWPR-GHMZBOCLSA-N 2 1 221.348 2.216 20 0 BEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000925575190 634075407 /nfs/dbraw/zinc/07/54/07/634075407.db2.gz QQYHNGRZDDLBJJ-ZNMIVQPWSA-N 2 1 244.382 2.348 20 0 BEADMP CC(C)(C[NH2+][C@H]1CC[NH2+]C1(C)C)c1ccccn1 ZINC000925679639 634276268 /nfs/dbraw/zinc/27/62/68/634276268.db2.gz KVOMCCJTQVMFEO-ZDUSSCGKSA-N 2 1 247.386 2.089 20 0 BEADMP CCC[C@H](C)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931314035 634331898 /nfs/dbraw/zinc/33/18/98/634331898.db2.gz ISGHWINWCLGHGB-MELADBBJSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931314035 634331902 /nfs/dbraw/zinc/33/19/02/634331902.db2.gz ISGHWINWCLGHGB-MELADBBJSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931314035 634331906 /nfs/dbraw/zinc/33/19/06/634331906.db2.gz ISGHWINWCLGHGB-MELADBBJSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931314035 634331910 /nfs/dbraw/zinc/33/19/10/634331910.db2.gz ISGHWINWCLGHGB-MELADBBJSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000925774563 635235724 /nfs/dbraw/zinc/23/57/24/635235724.db2.gz WNNGZRVXRSQNSC-MFKMUULPSA-N 2 1 249.358 2.030 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000925012918 635848251 /nfs/dbraw/zinc/84/82/51/635848251.db2.gz XSIKXARIZMZJKI-XQLPTFJDSA-N 2 1 234.387 2.273 20 0 BEADMP C[C@H]1CCC[C@@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000928997893 636699037 /nfs/dbraw/zinc/69/90/37/636699037.db2.gz PBRSWLKYCIBWOR-LJISPDSOSA-N 2 1 236.403 2.354 20 0 BEADMP CCO[C@H](C[NH2+][C@@H](CC)C(C)(C)C)C[NH+](C)C ZINC000926957732 636970251 /nfs/dbraw/zinc/97/02/51/636970251.db2.gz CRSCIHQMKJPJSN-OLZOCXBDSA-N 2 1 244.423 2.367 20 0 BEADMP CCC[C@@H](CC)[NH2+]C[C@H](C[NH+](C)C)OCC ZINC000926957393 636971620 /nfs/dbraw/zinc/97/16/20/636971620.db2.gz AYPVVACTHMEEAH-CHWSQXEVSA-N 2 1 230.396 2.121 20 0 BEADMP CCO[C@@H](C[NH2+][C@@H](C)CC(C)(C)C)C[NH+](C)C ZINC000926961479 636974617 /nfs/dbraw/zinc/97/46/17/636974617.db2.gz PAWXETUGGMIWHX-STQMWFEESA-N 2 1 244.423 2.367 20 0 BEADMP CC1([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC(F)(F)C1 ZINC000873197962 636980282 /nfs/dbraw/zinc/98/02/82/636980282.db2.gz WXFHROSEPOFNTE-QWRGUYRKSA-N 2 1 244.329 2.391 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)C1(Cl)CC1 ZINC000924717099 637029665 /nfs/dbraw/zinc/02/96/65/637029665.db2.gz SZFPATQFPFXQBZ-SNVBAGLBSA-N 2 1 241.766 2.331 20 0 BEADMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000054603341 637034850 /nfs/dbraw/zinc/03/48/50/637034850.db2.gz VWBXNRFXNKDSSY-VGPLMAKISA-N 2 1 208.349 2.144 20 0 BEADMP CO[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000903182505 637351443 /nfs/dbraw/zinc/35/14/43/637351443.db2.gz CGVNWPIEHWFXFC-UONOGXRCSA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)[N@@H+](C[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000903721636 637379212 /nfs/dbraw/zinc/37/92/12/637379212.db2.gz CCDXPMPYJCPJQJ-LBPRGKRZSA-N 2 1 210.365 2.249 20 0 BEADMP FCc1ccccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000903788401 637382360 /nfs/dbraw/zinc/38/23/60/637382360.db2.gz KHHPIMPDIGQKNZ-LSDHHAIUSA-N 2 1 248.345 2.197 20 0 BEADMP Cc1cc(C)nc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000903789401 637384434 /nfs/dbraw/zinc/38/44/34/637384434.db2.gz WLZFPKSMIOVVJU-TZMCWYRMSA-N 2 1 247.386 2.115 20 0 BEADMP C(C[N@H+]1CCC[C@]12CC[NH2+]C2)C1CCCC1 ZINC000903866641 637386538 /nfs/dbraw/zinc/38/65/38/637386538.db2.gz WEABICYEYWRBDF-CQSZACIVSA-N 2 1 222.376 2.395 20 0 BEADMP C[C@]1(C[N@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC[NH2+]C1 ZINC000904462126 637407055 /nfs/dbraw/zinc/40/70/55/637407055.db2.gz HRQRHIZTARKJOH-LEOABGAYSA-N 2 1 246.398 2.130 20 0 BEADMP C[C@@]1(C[N@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC[NH2+]C1 ZINC000904462125 637407420 /nfs/dbraw/zinc/40/74/20/637407420.db2.gz HRQRHIZTARKJOH-JKJDWNRSSA-N 2 1 246.398 2.130 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000904476768 637427357 /nfs/dbraw/zinc/42/73/57/637427357.db2.gz RCOJWBJLDCQWQF-AGIUHOORSA-N 2 1 242.432 2.045 20 0 BEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC000906507817 638180395 /nfs/dbraw/zinc/18/03/95/638180395.db2.gz DKAHPDHAIWJICD-XYPYZODXSA-N 2 1 216.284 2.012 20 0 BEADMP COc1ccc2oc(C[NH2+]C3CC([NH3+])C3)cc2c1 ZINC000906511023 638184548 /nfs/dbraw/zinc/18/45/48/638184548.db2.gz PYIBYDUJNVLUSL-UHFFFAOYSA-N 2 1 246.310 2.021 20 0 BEADMP CCCCOc1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906516296 638185296 /nfs/dbraw/zinc/18/52/96/638185296.db2.gz BHIDHATUCRISOG-HDJSIYSDSA-N 2 1 248.370 2.445 20 0 BEADMP CCCC[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000906530041 638190318 /nfs/dbraw/zinc/19/03/18/638190318.db2.gz WHCYDAAHMIRTGD-CYBMUJFWSA-N 2 1 212.381 2.497 20 0 BEADMP C[N@@H+]1C[C@]2(C)C[NH+](CC3CC=CC3)C[C@]2(C)C1 ZINC000931313395 640144091 /nfs/dbraw/zinc/14/40/91/640144091.db2.gz BCUGEMPGPYVXSZ-GASCZTMLSA-N 2 1 234.387 2.226 20 0 BEADMP C[N@H+]1C[C@]2(C)C[NH+](CC3CC=CC3)C[C@]2(C)C1 ZINC000931313395 640144094 /nfs/dbraw/zinc/14/40/94/640144094.db2.gz BCUGEMPGPYVXSZ-GASCZTMLSA-N 2 1 234.387 2.226 20 0 BEADMP C[NH+]1C[C@]2(C)C[N@H+](CC3CC=CC3)C[C@]2(C)C1 ZINC000931313395 640144099 /nfs/dbraw/zinc/14/40/99/640144099.db2.gz BCUGEMPGPYVXSZ-GASCZTMLSA-N 2 1 234.387 2.226 20 0 BEADMP C[NH+]1C[C@]2(C)C[N@@H+](CC3CC=CC3)C[C@]2(C)C1 ZINC000931313395 640144103 /nfs/dbraw/zinc/14/41/03/640144103.db2.gz BCUGEMPGPYVXSZ-GASCZTMLSA-N 2 1 234.387 2.226 20 0 BEADMP C[N@@H+]1C[C@]2(C)C[NH+](CC3CCC3)C[C@]2(C)C1 ZINC000931306564 640144430 /nfs/dbraw/zinc/14/44/30/640144430.db2.gz BBYAGNWRQLDFOV-OKILXGFUSA-N 2 1 222.376 2.060 20 0 BEADMP C[N@H+]1C[C@]2(C)C[NH+](CC3CCC3)C[C@]2(C)C1 ZINC000931306564 640144436 /nfs/dbraw/zinc/14/44/36/640144436.db2.gz BBYAGNWRQLDFOV-OKILXGFUSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+]1C[C@]2(C)C[N@H+](CC3CCC3)C[C@]2(C)C1 ZINC000931306564 640144444 /nfs/dbraw/zinc/14/44/44/640144444.db2.gz BBYAGNWRQLDFOV-OKILXGFUSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+]1C[C@]2(C)C[N@@H+](CC3CCC3)C[C@]2(C)C1 ZINC000931306564 640144449 /nfs/dbraw/zinc/14/44/49/640144449.db2.gz BBYAGNWRQLDFOV-OKILXGFUSA-N 2 1 222.376 2.060 20 0 BEADMP CN1C[C@]2(C)C[N@H+](C3CCCC3)C[C@]2(C)C1 ZINC000931310864 640145253 /nfs/dbraw/zinc/14/52/53/640145253.db2.gz IZNOKIMVGXBBAZ-OKILXGFUSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@@H+]1C[C@]2(C)C[NH+](C3CCCC3)C[C@]2(C)C1 ZINC000931310864 640145261 /nfs/dbraw/zinc/14/52/61/640145261.db2.gz IZNOKIMVGXBBAZ-OKILXGFUSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@H+]1C[C@]2(C)C[NH+](C3CCCC3)C[C@]2(C)C1 ZINC000931310864 640145266 /nfs/dbraw/zinc/14/52/66/640145266.db2.gz IZNOKIMVGXBBAZ-OKILXGFUSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1C[C@]2(C)C[N@@H+](C3CCCC3)C[C@]2(C)C1 ZINC000931310864 640145270 /nfs/dbraw/zinc/14/52/70/640145270.db2.gz IZNOKIMVGXBBAZ-OKILXGFUSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1C[C@]2(C)C[N@H+](C3CCCC3)C[C@]2(C)C1 ZINC000931310864 640145276 /nfs/dbraw/zinc/14/52/76/640145276.db2.gz IZNOKIMVGXBBAZ-OKILXGFUSA-N 2 1 222.376 2.203 20 0 BEADMP CC(C)CC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931308497 640146023 /nfs/dbraw/zinc/14/60/23/640146023.db2.gz OHWSPMPHYRHKJS-KBPBESRZSA-N 2 1 224.392 2.306 20 0 BEADMP C[NH+]1C[C@@]2(C)C[NH+](CC3CCCC3)C[C@]2(C)C1 ZINC000931310510 640148238 /nfs/dbraw/zinc/14/82/38/640148238.db2.gz ZEWVPXWHYNWECB-GJZGRUSLSA-N 2 1 236.403 2.450 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3F)C[C@@H]2C1 ZINC000931429383 640198271 /nfs/dbraw/zinc/19/82/71/640198271.db2.gz GOHUOTLZGFDEDF-OCCSQVGLSA-N 2 1 248.345 2.209 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3F)C[C@@H]2C1 ZINC000931429383 640198277 /nfs/dbraw/zinc/19/82/77/640198277.db2.gz GOHUOTLZGFDEDF-OCCSQVGLSA-N 2 1 248.345 2.209 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]2C1 ZINC000931429383 640198282 /nfs/dbraw/zinc/19/82/82/640198282.db2.gz GOHUOTLZGFDEDF-OCCSQVGLSA-N 2 1 248.345 2.209 20 0 BEADMP C=C/C=C\CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931442382 640206550 /nfs/dbraw/zinc/20/65/50/640206550.db2.gz FULNQUZHYMNXIA-VSVUCHCSSA-N 2 1 220.360 2.002 20 0 BEADMP C=C/C=C\CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931442382 640206557 /nfs/dbraw/zinc/20/65/57/640206557.db2.gz FULNQUZHYMNXIA-VSVUCHCSSA-N 2 1 220.360 2.002 20 0 BEADMP C=C/C=C\CC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931442382 640206563 /nfs/dbraw/zinc/20/65/63/640206563.db2.gz FULNQUZHYMNXIA-VSVUCHCSSA-N 2 1 220.360 2.002 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CC(C)(C)C3)C[C@@H]2C1 ZINC000931441743 640208079 /nfs/dbraw/zinc/20/80/79/640208079.db2.gz OIEVUWCIMHGXIG-KGLIPLIRSA-N 2 1 236.403 2.306 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@@H]2C1 ZINC000931441743 640208082 /nfs/dbraw/zinc/20/80/82/640208082.db2.gz OIEVUWCIMHGXIG-KGLIPLIRSA-N 2 1 236.403 2.306 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@@H]2C1 ZINC000931441743 640208090 /nfs/dbraw/zinc/20/80/90/640208090.db2.gz OIEVUWCIMHGXIG-KGLIPLIRSA-N 2 1 236.403 2.306 20 0 BEADMP CC(C)(C)CC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931512628 640242741 /nfs/dbraw/zinc/24/27/41/640242741.db2.gz LHLHSGDJVUZVAN-UHFFFAOYSA-N 2 1 233.359 2.458 20 0 BEADMP CC(C)(C)CC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931512628 640242747 /nfs/dbraw/zinc/24/27/47/640242747.db2.gz LHLHSGDJVUZVAN-UHFFFAOYSA-N 2 1 233.359 2.458 20 0 BEADMP CC1CC(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC000931547307 640266412 /nfs/dbraw/zinc/26/64/12/640266412.db2.gz QJTAXPCAYGHPFY-CLRIEMFWSA-N 2 1 222.376 2.059 20 0 BEADMP CC1CC(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000931547307 640266417 /nfs/dbraw/zinc/26/64/17/640266417.db2.gz QJTAXPCAYGHPFY-CLRIEMFWSA-N 2 1 222.376 2.059 20 0 BEADMP CC1CC(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000931547307 640266421 /nfs/dbraw/zinc/26/64/21/640266421.db2.gz QJTAXPCAYGHPFY-CLRIEMFWSA-N 2 1 222.376 2.059 20 0 BEADMP CC1CC(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC000931547307 640266427 /nfs/dbraw/zinc/26/64/27/640266427.db2.gz QJTAXPCAYGHPFY-CLRIEMFWSA-N 2 1 222.376 2.059 20 0 BEADMP CC1CC(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC000931547307 640266435 /nfs/dbraw/zinc/26/64/35/640266435.db2.gz QJTAXPCAYGHPFY-CLRIEMFWSA-N 2 1 222.376 2.059 20 0 BEADMP C[N@H+]1CC[C@@H]2CN(CCCC(C)(F)F)CC[C@H]21 ZINC000931545663 640267668 /nfs/dbraw/zinc/26/76/68/640267668.db2.gz GGMKZMFRSWBUER-VXGBXAGGSA-N 2 1 246.345 2.448 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCC(C)(F)F)CC[C@H]21 ZINC000931545663 640267673 /nfs/dbraw/zinc/26/76/73/640267673.db2.gz GGMKZMFRSWBUER-VXGBXAGGSA-N 2 1 246.345 2.448 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CCCC(C)(F)F)CC[C@H]21 ZINC000931545663 640267677 /nfs/dbraw/zinc/26/76/77/640267677.db2.gz GGMKZMFRSWBUER-VXGBXAGGSA-N 2 1 246.345 2.448 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CCCC(C)(F)F)CC[C@H]21 ZINC000931545663 640267679 /nfs/dbraw/zinc/26/76/79/640267679.db2.gz GGMKZMFRSWBUER-VXGBXAGGSA-N 2 1 246.345 2.448 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCC(C)(F)F)CC[C@H]21 ZINC000931545663 640267681 /nfs/dbraw/zinc/26/76/81/640267681.db2.gz GGMKZMFRSWBUER-VXGBXAGGSA-N 2 1 246.345 2.448 20 0 BEADMP C[C@H](C1CC1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000931764332 640357917 /nfs/dbraw/zinc/35/79/17/640357917.db2.gz PTIKMRHNJDXJOM-CHWSQXEVSA-N 2 1 245.370 2.391 20 0 BEADMP C([C@H]1CCC[NH2+]1)[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000223675051 640585475 /nfs/dbraw/zinc/58/54/75/640585475.db2.gz RYYKXPYZNYPFLF-MJBXVCDLSA-N 2 1 222.376 2.393 20 0 BEADMP CC(C)[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000228738435 640892915 /nfs/dbraw/zinc/89/29/15/640892915.db2.gz UHPWXOGUEXGRPN-KGLIPLIRSA-N 2 1 224.392 2.354 20 0 BEADMP CO[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000230314575 641045551 /nfs/dbraw/zinc/04/55/51/641045551.db2.gz JXEDVBUZGSBUSM-CYBMUJFWSA-N 2 1 228.380 2.006 20 0 BEADMP Cn1cccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000050596038 641190792 /nfs/dbraw/zinc/19/07/92/641190792.db2.gz LOKYSBMMVUVGOR-UHFFFAOYSA-N 2 1 249.402 2.378 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[Si](C)(C)C)C1 ZINC000173913420 641216488 /nfs/dbraw/zinc/21/64/88/641216488.db2.gz QYJWEFUKYRNNLM-GFCCVEGCSA-N 2 1 228.456 2.137 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[Si](C)(C)C)C1 ZINC000173913420 641216495 /nfs/dbraw/zinc/21/64/95/641216495.db2.gz QYJWEFUKYRNNLM-GFCCVEGCSA-N 2 1 228.456 2.137 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[Si](C)(C)C)C1 ZINC000173913420 641216503 /nfs/dbraw/zinc/21/65/03/641216503.db2.gz QYJWEFUKYRNNLM-GFCCVEGCSA-N 2 1 228.456 2.137 20 0 BEADMP C[C@@H]1CC[C@H](C[N@@H+](C)C2(C[NH3+])CCCCC2)O1 ZINC000231997414 641225537 /nfs/dbraw/zinc/22/55/37/641225537.db2.gz FZLKOUQJCFDYAO-CHWSQXEVSA-N 2 1 240.391 2.147 20 0 BEADMP C1C[NH2+]C[C@@H]([NH2+]C2CCCCCCC2)C1 ZINC000043324023 641562320 /nfs/dbraw/zinc/56/23/20/641562320.db2.gz HAPUUTUMXGLCMZ-ZDUSSCGKSA-N 2 1 210.365 2.441 20 0 BEADMP CC1CC(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000929847635 641763489 /nfs/dbraw/zinc/76/34/89/641763489.db2.gz MPNVKGIDIYDWBA-WUCCLRPBSA-N 2 1 236.403 2.449 20 0 BEADMP CC1CC(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000929847635 641763496 /nfs/dbraw/zinc/76/34/96/641763496.db2.gz MPNVKGIDIYDWBA-WUCCLRPBSA-N 2 1 236.403 2.449 20 0 BEADMP CC1CC(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000929847635 641763500 /nfs/dbraw/zinc/76/35/00/641763500.db2.gz MPNVKGIDIYDWBA-WUCCLRPBSA-N 2 1 236.403 2.449 20 0 BEADMP CCC(=O)CC[N@H+](C)CC[C@H]1CCCCN1C ZINC000190252729 641854847 /nfs/dbraw/zinc/85/48/47/641854847.db2.gz IUKYDPWVMSHPTJ-CYBMUJFWSA-N 2 1 240.391 2.162 20 0 BEADMP CCC(=O)CC[N@@H+](C)CC[C@H]1CCCCN1C ZINC000190252729 641854848 /nfs/dbraw/zinc/85/48/48/641854848.db2.gz IUKYDPWVMSHPTJ-CYBMUJFWSA-N 2 1 240.391 2.162 20 0 BEADMP CC(C)CC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000154779372 642246256 /nfs/dbraw/zinc/24/62/56/642246256.db2.gz RZUTVTSNWZFGGH-UHFFFAOYSA-N 2 1 212.381 2.306 20 0 BEADMP CCOC[C@@H]1CCCC[N@@H+]1C[C@@H]([NH3+])CC(C)C ZINC000313209142 642392457 /nfs/dbraw/zinc/39/24/57/642392457.db2.gz GRCNVRYAYXFQGG-KBPBESRZSA-N 2 1 242.407 2.251 20 0 BEADMP CCOC[C@@H]1CCCC[N@H+]1C[C@@H]([NH3+])CC(C)C ZINC000313209142 642392461 /nfs/dbraw/zinc/39/24/61/642392461.db2.gz GRCNVRYAYXFQGG-KBPBESRZSA-N 2 1 242.407 2.251 20 0 BEADMP C[C@@H]1CC[N@@H+](CC2CCCCC2)C[C@H]1C[NH3+] ZINC000253237395 642633343 /nfs/dbraw/zinc/63/33/43/642633343.db2.gz OWAHAIVCQBLUKP-TZMCWYRMSA-N 2 1 224.392 2.483 20 0 BEADMP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000233920972 642707383 /nfs/dbraw/zinc/70/73/83/642707383.db2.gz ZQPDWNWZPNJULC-MROQNXINSA-N 2 1 210.365 2.105 20 0 BEADMP CC[C@@H]1CCCCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000233912436 642710801 /nfs/dbraw/zinc/71/08/01/642710801.db2.gz SDGHLUSWAUZFMA-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000305925608 642713818 /nfs/dbraw/zinc/71/38/18/642713818.db2.gz CLNBQWTZTQYVEC-NWDGAFQWSA-N 2 1 246.345 2.496 20 0 BEADMP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000305925608 642713822 /nfs/dbraw/zinc/71/38/22/642713822.db2.gz CLNBQWTZTQYVEC-NWDGAFQWSA-N 2 1 246.345 2.496 20 0 BEADMP CC1(C)CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000069793203 642912937 /nfs/dbraw/zinc/91/29/37/642912937.db2.gz KXOYTAMTMHDXSL-UHFFFAOYSA-N 2 1 210.365 2.251 20 0 BEADMP [NH3+][C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC000070585204 643043511 /nfs/dbraw/zinc/04/35/11/643043511.db2.gz JOKNLJCUMRLHPG-ZDUSSCGKSA-N 2 1 210.365 2.380 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC000070585204 643043514 /nfs/dbraw/zinc/04/35/14/643043514.db2.gz JOKNLJCUMRLHPG-ZDUSSCGKSA-N 2 1 210.365 2.380 20 0 BEADMP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)CC[NH2+]1 ZINC000310339634 643113560 /nfs/dbraw/zinc/11/35/60/643113560.db2.gz NRXAQMBWCAOXTI-BARDWOONSA-N 2 1 234.387 2.273 20 0 BEADMP C[N@@H+]1CCC[C@@H]2C[NH+](C/C=C\Cl)CC[C@@H]21 ZINC000255048102 643282900 /nfs/dbraw/zinc/28/29/00/643282900.db2.gz XRNXTWPJMRBORC-FVLQNALFSA-N 2 1 228.767 2.155 20 0 BEADMP C[N@H+]1CCC[C@@H]2C[NH+](C/C=C\Cl)CC[C@@H]21 ZINC000255048102 643282902 /nfs/dbraw/zinc/28/29/02/643282902.db2.gz XRNXTWPJMRBORC-FVLQNALFSA-N 2 1 228.767 2.155 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@H+](C/C=C\Cl)CC[C@@H]21 ZINC000255048102 643282905 /nfs/dbraw/zinc/28/29/05/643282905.db2.gz XRNXTWPJMRBORC-FVLQNALFSA-N 2 1 228.767 2.155 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C/C=C\Cl)CC[C@@H]21 ZINC000255048102 643282907 /nfs/dbraw/zinc/28/29/07/643282907.db2.gz XRNXTWPJMRBORC-FVLQNALFSA-N 2 1 228.767 2.155 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C1CCCCC1 ZINC000082560294 643343212 /nfs/dbraw/zinc/34/32/12/643343212.db2.gz GJMYGWJLTGAQSS-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCc1cccs1 ZINC000082602687 643354050 /nfs/dbraw/zinc/35/40/50/643354050.db2.gz CSAOBKPONLOJBB-YPMHNXCESA-N 2 1 238.400 2.492 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCc1cccs1 ZINC000082602687 643354057 /nfs/dbraw/zinc/35/40/57/643354057.db2.gz CSAOBKPONLOJBB-YPMHNXCESA-N 2 1 238.400 2.492 20 0 BEADMP C[N@H+](CC[NH2+]C1CCSCC1)C1CCCC1 ZINC000070945324 643395818 /nfs/dbraw/zinc/39/58/18/643395818.db2.gz NQDKEQXCBFSWOP-UHFFFAOYSA-N 2 1 242.432 2.346 20 0 BEADMP C[N@@H+](CC[NH2+]C1CCSCC1)C1CCCC1 ZINC000070945324 643395824 /nfs/dbraw/zinc/39/58/24/643395824.db2.gz NQDKEQXCBFSWOP-UHFFFAOYSA-N 2 1 242.432 2.346 20 0 BEADMP C[NH+](C)[C@H](C[NH2+]C[C@H]1CC=CCC1)C1CC1 ZINC000121037944 643440186 /nfs/dbraw/zinc/44/01/86/643440186.db2.gz XUGUQUMPOVNVCR-GXTWGEPZSA-N 2 1 222.376 2.273 20 0 BEADMP C[C@@H]1[C@@H](C)CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085015636 643523930 /nfs/dbraw/zinc/52/39/30/643523930.db2.gz JDPFGPJVSKQTER-LOWDOPEQSA-N 2 1 210.365 2.234 20 0 BEADMP CCc1ccccc1C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000234150872 643533178 /nfs/dbraw/zinc/53/31/78/643533178.db2.gz GSTXXYZVEPBRLU-FZMZJTMJSA-N 2 1 218.344 2.028 20 0 BEADMP CCc1ccccc1C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000234150872 643533183 /nfs/dbraw/zinc/53/31/83/643533183.db2.gz GSTXXYZVEPBRLU-FZMZJTMJSA-N 2 1 218.344 2.028 20 0 BEADMP Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000051573710 643638986 /nfs/dbraw/zinc/63/89/86/643638986.db2.gz JYKPVYPOYCSIJZ-GOOCMWNKSA-N 2 1 245.370 2.105 20 0 BEADMP CC(C)C[C@@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000307814703 643668841 /nfs/dbraw/zinc/66/88/41/643668841.db2.gz LFTODWSNWCWBTB-ZDUSSCGKSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085016018 643678963 /nfs/dbraw/zinc/67/89/63/643678963.db2.gz NBRTXBPIFVXUQY-MNOVXSKESA-N 2 1 239.388 2.011 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000354345059 643772354 /nfs/dbraw/zinc/77/23/54/643772354.db2.gz BEUUSFFGGRVOKO-QWHCGFSZSA-N 2 1 242.407 2.121 20 0 BEADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@@H](C)C1)C[NH+](C)C ZINC000922761803 644089053 /nfs/dbraw/zinc/08/90/53/644089053.db2.gz TZFCWZZJHLBEHW-MGPQQGTHSA-N 2 1 242.407 2.121 20 0 BEADMP Cc1cccc(C[N@@H+](C)C2(C[NH3+])CCC2)c1 ZINC000086475013 644140378 /nfs/dbraw/zinc/14/03/78/644140378.db2.gz JTTBGXVBPSFXGM-UHFFFAOYSA-N 2 1 218.344 2.308 20 0 BEADMP Cc1cccc(C[N@H+](C)C2(C[NH3+])CCC2)c1 ZINC000086475013 644140382 /nfs/dbraw/zinc/14/03/82/644140382.db2.gz JTTBGXVBPSFXGM-UHFFFAOYSA-N 2 1 218.344 2.308 20 0 BEADMP C[N@H+](Cc1cccc(Cl)n1)CC(C)(C)C[NH3+] ZINC000086638100 644159139 /nfs/dbraw/zinc/15/91/39/644159139.db2.gz NEGVAWSQAKSRSD-UHFFFAOYSA-N 2 1 241.766 2.152 20 0 BEADMP C[N@@H+](Cc1cccc(Cl)n1)CC(C)(C)C[NH3+] ZINC000086638100 644159142 /nfs/dbraw/zinc/15/91/42/644159142.db2.gz NEGVAWSQAKSRSD-UHFFFAOYSA-N 2 1 241.766 2.152 20 0 BEADMP C[NH+]1CCC([NH2+]CC2CCC=CCC2)CC1 ZINC000922966777 644202406 /nfs/dbraw/zinc/20/24/06/644202406.db2.gz XTLZSTHZIIVDRK-UHFFFAOYSA-N 2 1 222.376 2.417 20 0 BEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@]12C[C@H]1CCC2 ZINC000922962953 644203735 /nfs/dbraw/zinc/20/37/35/644203735.db2.gz OLRPGPXNYVXLTG-KBXIAJHMSA-N 2 1 234.387 2.393 20 0 BEADMP CC(C)=CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000193351295 644235838 /nfs/dbraw/zinc/23/58/38/644235838.db2.gz AYDWFYNABGXWSB-YHWZYXNKSA-N 2 1 208.349 2.167 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@H]1[NH3+] ZINC000923365557 644375140 /nfs/dbraw/zinc/37/51/40/644375140.db2.gz FXYOPPCJFRBJHW-DGCLKSJQSA-N 2 1 222.376 2.236 20 0 BEADMP CCCCCC[C@@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000923367248 644378562 /nfs/dbraw/zinc/37/85/62/644378562.db2.gz DRCGRCFVOQQYEG-OLZOCXBDSA-N 2 1 244.423 2.281 20 0 BEADMP C[C@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@@H]1C[NH3+] ZINC000923412716 644413145 /nfs/dbraw/zinc/41/31/45/644413145.db2.gz TUQLSRRWOHRZEL-JSGCOSHPSA-N 2 1 236.403 2.483 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@H]1C[NH3+] ZINC000923412718 644414220 /nfs/dbraw/zinc/41/42/20/644414220.db2.gz TUQLSRRWOHRZEL-TZMCWYRMSA-N 2 1 236.403 2.483 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@@H]1C[NH3+] ZINC000923412717 644414743 /nfs/dbraw/zinc/41/47/43/644414743.db2.gz TUQLSRRWOHRZEL-OCCSQVGLSA-N 2 1 236.403 2.483 20 0 BEADMP CCc1ncc(C[N@@H+](C)CCCCCC[NH3+])o1 ZINC000923426131 644418589 /nfs/dbraw/zinc/41/85/89/644418589.db2.gz NFNCFFHPZDJRRG-UHFFFAOYSA-N 2 1 239.363 2.188 20 0 BEADMP CC(C)[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085016295 644436477 /nfs/dbraw/zinc/43/64/77/644436477.db2.gz MMDWAOAFCKDENK-AGIUHOORSA-N 2 1 210.365 2.234 20 0 BEADMP CC(C)(C)[C@@H]1C[C@H]1[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923454587 644444164 /nfs/dbraw/zinc/44/41/64/644444164.db2.gz LHRJPVPQHRJAKZ-UMSGYPCISA-N 2 1 222.376 2.105 20 0 BEADMP CC(C)(C)[C@@H]1C[C@H]1[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923454587 644444167 /nfs/dbraw/zinc/44/41/67/644444167.db2.gz LHRJPVPQHRJAKZ-UMSGYPCISA-N 2 1 222.376 2.105 20 0 BEADMP C[C@H]1C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)CC[C@@H]1C[NH3+] ZINC000923491932 644466940 /nfs/dbraw/zinc/46/69/40/644466940.db2.gz KUSZMMWIBSJDPJ-MYPMTAMASA-N 2 1 236.403 2.339 20 0 BEADMP C[C@H]1C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)CC[C@H]1C[NH3+] ZINC000923491931 644467574 /nfs/dbraw/zinc/46/75/74/644467574.db2.gz KUSZMMWIBSJDPJ-ATGSNQNLSA-N 2 1 236.403 2.339 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c(C)n1 ZINC000923494913 644469432 /nfs/dbraw/zinc/46/94/32/644469432.db2.gz QMGWSQYMFXMAAQ-BXUZGUMPSA-N 2 1 247.386 2.115 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1C ZINC000923516429 644480043 /nfs/dbraw/zinc/48/00/43/644480043.db2.gz DVXVRLHLQJMKKY-JKSUJKDBSA-N 2 1 244.382 2.345 20 0 BEADMP C[C@H]1CCCC[C@@H]1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518953 644483069 /nfs/dbraw/zinc/48/30/69/644483069.db2.gz HIWPOJOMFQZTPR-LJISPDSOSA-N 2 1 236.403 2.354 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923520627 644484071 /nfs/dbraw/zinc/48/40/71/644484071.db2.gz GSMFCPABUABPFU-LSDHHAIUSA-N 2 1 230.355 2.036 20 0 BEADMP C([C@@H]1CC[NH2+]C1)[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000923526417 644485557 /nfs/dbraw/zinc/48/55/57/644485557.db2.gz PYKZSJZYTJHUEQ-KCPJHIHWSA-N 2 1 234.387 2.106 20 0 BEADMP C=C/C=C/CC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530944 644487217 /nfs/dbraw/zinc/48/72/17/644487217.db2.gz NIZVPJVIOYNMMJ-XGACYXMMSA-N 2 1 220.360 2.337 20 0 BEADMP C=C/C=C/CC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530944 644487222 /nfs/dbraw/zinc/48/72/22/644487222.db2.gz NIZVPJVIOYNMMJ-XGACYXMMSA-N 2 1 220.360 2.337 20 0 BEADMP C(CC1CC1)C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530595 644488148 /nfs/dbraw/zinc/48/81/48/644488148.db2.gz JZAXFNNYAHEROK-CQSZACIVSA-N 2 1 222.376 2.395 20 0 BEADMP C(CC1CC1)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530595 644488154 /nfs/dbraw/zinc/48/81/54/644488154.db2.gz JZAXFNNYAHEROK-CQSZACIVSA-N 2 1 222.376 2.395 20 0 BEADMP CC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923534212 644489296 /nfs/dbraw/zinc/48/92/96/644489296.db2.gz RNVGWFNPDIKXFZ-QWHCGFSZSA-N 2 1 210.365 2.251 20 0 BEADMP C(C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2)C1CCC1 ZINC000923533042 644490334 /nfs/dbraw/zinc/49/03/34/644490334.db2.gz JADHBUKABYKUTD-AWEZNQCLSA-N 2 1 222.376 2.395 20 0 BEADMP C(C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)C1CCC1 ZINC000923533042 644490337 /nfs/dbraw/zinc/49/03/37/644490337.db2.gz JADHBUKABYKUTD-AWEZNQCLSA-N 2 1 222.376 2.395 20 0 BEADMP Cc1csc(C[N@H+](C)C2CCC([NH3+])CC2)n1 ZINC000087393828 644495346 /nfs/dbraw/zinc/49/53/46/644495346.db2.gz LQERZJNAGCTKSE-UHFFFAOYSA-N 2 1 239.388 2.153 20 0 BEADMP c1ccc(CC[N@@H+](C[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000923556316 644497500 /nfs/dbraw/zinc/49/75/00/644497500.db2.gz WALQCMMITVWEHW-HNNXBMFYSA-N 2 1 244.382 2.303 20 0 BEADMP c1ccc(CC[N@@H+](C[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000923556318 644497673 /nfs/dbraw/zinc/49/76/73/644497673.db2.gz WALQCMMITVWEHW-OAHLLOKOSA-N 2 1 244.382 2.303 20 0 BEADMP C[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000252140931 644836610 /nfs/dbraw/zinc/83/66/10/644836610.db2.gz MGMANOWYINNTSM-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000415141989 644886000 /nfs/dbraw/zinc/88/60/00/644886000.db2.gz QFBKYCGTCAATEG-UONOGXRCSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CC[N@H+](Cc2ccccc2F)C[C@H]1C[NH3+] ZINC000253180388 644941667 /nfs/dbraw/zinc/94/16/67/644941667.db2.gz DMJHNUVJWANDSQ-DGCLKSJQSA-N 2 1 236.334 2.242 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2ccccc2F)C[C@H]1C[NH3+] ZINC000253180388 644941670 /nfs/dbraw/zinc/94/16/70/644941670.db2.gz DMJHNUVJWANDSQ-DGCLKSJQSA-N 2 1 236.334 2.242 20 0 BEADMP CCOc1cccc([C@@H](C)[NH2+]C[C@@H]([NH3+])CC)c1 ZINC000817980377 644992464 /nfs/dbraw/zinc/99/24/64/644992464.db2.gz UKYPVHLNBUGRDG-YPMHNXCESA-N 2 1 236.359 2.473 20 0 BEADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCCC2(CCCC2)C1 ZINC000843389200 645288350 /nfs/dbraw/zinc/28/83/50/645288350.db2.gz RTPDJXKGRYLPIP-ZDUSSCGKSA-N 2 1 222.376 2.252 20 0 BEADMP C[C@H]([NH3+])[C@@H]([NH2+]CC1CCC1)c1ccccc1 ZINC000925485474 645344886 /nfs/dbraw/zinc/34/48/86/645344886.db2.gz NOBKYXQAFHYGOZ-SMDDNHRTSA-N 2 1 218.344 2.465 20 0 BEADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@H]1CC)C[NH+](C)C ZINC000926965696 645499789 /nfs/dbraw/zinc/49/97/89/645499789.db2.gz SFKYJYPPWSGEKY-MGPQQGTHSA-N 2 1 242.407 2.121 20 0 BEADMP CCCC[C@H](C)[NH2+]C[C@H](C[NH+](C)C)OCC ZINC000926961632 645500887 /nfs/dbraw/zinc/50/08/87/645500887.db2.gz JTXXUQUPFFKDRP-QWHCGFSZSA-N 2 1 230.396 2.121 20 0 BEADMP CCc1cc(N2CC[C@H]3[C@@H]2CCC[N@H+]3C)cc[nH+]1 ZINC000872779764 645769329 /nfs/dbraw/zinc/76/93/29/645769329.db2.gz TUCARJRVVRZZLD-GJZGRUSLSA-N 2 1 245.370 2.317 20 0 BEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000886839621 645891472 /nfs/dbraw/zinc/89/14/72/645891472.db2.gz IQSXRPHKKAOIFU-FRRDWIJNSA-N 2 1 224.392 2.386 20 0 BEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCc1ccccc1 ZINC000925495999 645934646 /nfs/dbraw/zinc/93/46/46/645934646.db2.gz SURJBYNWTJPHEM-CQSZACIVSA-N 2 1 232.371 2.349 20 0 BEADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccnnc1 ZINC000924583114 646074536 /nfs/dbraw/zinc/07/45/36/646074536.db2.gz WUMCXHPCYSXSTR-ZDUSSCGKSA-N 2 1 248.374 2.003 20 0 BEADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)Cc1ccccn1 ZINC000924616222 646079206 /nfs/dbraw/zinc/07/92/06/646079206.db2.gz AJXHGCWGWNYEIY-AWEZNQCLSA-N 2 1 249.402 2.333 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000924706899 646093638 /nfs/dbraw/zinc/09/36/38/646093638.db2.gz RQXOEBCYKGIQLT-GBJTYRQASA-N 2 1 234.387 2.273 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000924706903 646094234 /nfs/dbraw/zinc/09/42/34/646094234.db2.gz RQXOEBCYKGIQLT-YJNKXOJESA-N 2 1 234.387 2.273 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CC(SC)C2)C1 ZINC000924863350 646122000 /nfs/dbraw/zinc/12/20/00/646122000.db2.gz WJXPWNICOHIMKT-PNESKVBLSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000925010280 646158014 /nfs/dbraw/zinc/15/80/14/646158014.db2.gz MESAGLRAYCBHOC-RFQIPJPRSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000925483296 646295666 /nfs/dbraw/zinc/29/56/66/646295666.db2.gz YMNJWTKYBKNDMK-IMIFBBOLSA-N 2 1 218.344 2.321 20 0 BEADMP CC1(C)C[C@@H]([NH2+]Cc2nccs2)C[C@@H]([NH3+])C1 ZINC000925487818 646299661 /nfs/dbraw/zinc/29/96/61/646299661.db2.gz XJPOKOFFRHKMLM-ZJUUUORDSA-N 2 1 239.388 2.139 20 0 BEADMP CC(C)C[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925494399 646301232 /nfs/dbraw/zinc/30/12/32/646301232.db2.gz PDMWUIIRIHZGIO-DGCLKSJQSA-N 2 1 206.333 2.321 20 0 BEADMP CC(C)C[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925494400 646301853 /nfs/dbraw/zinc/30/18/53/646301853.db2.gz PDMWUIIRIHZGIO-WCQYABFASA-N 2 1 206.333 2.321 20 0 BEADMP C[C@H]([NH3+])[C@@H]([NH2+]CC1(C)CC1)c1ccccc1 ZINC000925577648 646344774 /nfs/dbraw/zinc/34/47/74/646344774.db2.gz VDBRQAQMQIYLQC-WCQYABFASA-N 2 1 218.344 2.465 20 0 BEADMP C[C@@H]([NH2+][C@H](c1ccccc1)[C@H](C)[NH3+])C1CC1 ZINC000925583777 646346023 /nfs/dbraw/zinc/34/60/23/646346023.db2.gz NIHVXGZXLXPHQL-WDMOLILDSA-N 2 1 218.344 2.463 20 0 BEADMP C[C@@H]([NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+])C1CC1 ZINC000925583775 646347414 /nfs/dbraw/zinc/34/74/14/646347414.db2.gz NIHVXGZXLXPHQL-MISXGVKJSA-N 2 1 218.344 2.463 20 0 BEADMP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925603470 646354762 /nfs/dbraw/zinc/35/47/62/646354762.db2.gz BYHCUWYJQDXFNX-UPJWGTAASA-N 2 1 222.376 2.439 20 0 BEADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925609327 646359670 /nfs/dbraw/zinc/35/96/70/646359670.db2.gz SKGWEFFJKVNQRI-XUJVJEKNSA-N 2 1 248.370 2.053 20 0 BEADMP FC1(F)CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925616891 646364164 /nfs/dbraw/zinc/36/41/64/646364164.db2.gz BGJVHIGQBVIVCR-GHMZBOCLSA-N 2 1 244.329 2.439 20 0 BEADMP CC(C)CSCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925624864 646369809 /nfs/dbraw/zinc/36/98/09/646369809.db2.gz DPFHHXXOFFCNLZ-LLVKDONJSA-N 2 1 230.421 2.106 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCc1cccs1 ZINC000925629278 646374444 /nfs/dbraw/zinc/37/44/44/646374444.db2.gz IKDOCQZAKYUZPX-WCQYABFASA-N 2 1 238.400 2.411 20 0 BEADMP Cc1ccsc1CC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925628927 646375016 /nfs/dbraw/zinc/37/50/16/646375016.db2.gz HOQKPXXCFAWYOJ-NEPJUHHUSA-N 2 1 238.400 2.329 20 0 BEADMP Cc1ccsc1CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925631179 646376785 /nfs/dbraw/zinc/37/67/85/646376785.db2.gz SZIPQXVAYMDARZ-GFCCVEGCSA-N 2 1 238.400 2.329 20 0 BEADMP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H]1CCCCS1 ZINC000925636372 646379856 /nfs/dbraw/zinc/37/98/56/646379856.db2.gz YFPAHNUKKVNKGQ-NEPJUHHUSA-N 2 1 240.416 2.146 20 0 BEADMP CC(C)=CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925655486 646394515 /nfs/dbraw/zinc/39/45/15/646394515.db2.gz BFAIMUJKLZEZQJ-GFCCVEGCSA-N 2 1 208.349 2.217 20 0 BEADMP CC/C=C/C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925682167 646408372 /nfs/dbraw/zinc/40/83/72/646408372.db2.gz UJRVHLDYNJRTDX-UXONFWTHSA-N 2 1 208.349 2.217 20 0 BEADMP CC/C=C\C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925682164 646408820 /nfs/dbraw/zinc/40/88/20/646408820.db2.gz UJRVHLDYNJRTDX-GCLPIYDQSA-N 2 1 208.349 2.217 20 0 BEADMP CC1(C)C[C@]1(C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925707045 646431175 /nfs/dbraw/zinc/43/11/75/646431175.db2.gz NAYUWYWGTFIWLX-PWSUYJOCSA-N 2 1 208.349 2.049 20 0 BEADMP CSCC1(CC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925705749 646431252 /nfs/dbraw/zinc/43/12/52/646431252.db2.gz LGHQRJZIJBDMLZ-VXGBXAGGSA-N 2 1 242.432 2.250 20 0 BEADMP c1cc(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)co1 ZINC000925712143 646436352 /nfs/dbraw/zinc/43/63/52/646436352.db2.gz WDMIIIBCSDWCAZ-CYBMUJFWSA-N 2 1 234.343 2.086 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)CC(F)F ZINC000925733917 646455767 /nfs/dbraw/zinc/45/57/67/646455767.db2.gz MZJOWAQCRCWMTA-ZJUUUORDSA-N 2 1 234.334 2.255 20 0 BEADMP Cc1nc(C)c(C[N@@H+](C)CCCCCC[NH3+])o1 ZINC000723647735 711530003 /nfs/dbraw/zinc/53/00/03/711530003.db2.gz ZYPVCQWSAIGFET-UHFFFAOYSA-N 2 1 239.363 2.242 20 0 BEADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000925774063 646473575 /nfs/dbraw/zinc/47/35/75/646473575.db2.gz REUOIMGFXHXUII-WCQYABFASA-N 2 1 249.358 2.159 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@]12C[C@@H]1CCCC2 ZINC000925799673 646487287 /nfs/dbraw/zinc/48/72/87/646487287.db2.gz AYFBITNJUFWFPN-ZOBORPQBSA-N 2 1 222.376 2.154 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000925802499 646487610 /nfs/dbraw/zinc/48/76/10/646487610.db2.gz NFXGRBBWVABLHW-ZZVYKPCYSA-N 2 1 222.376 2.010 20 0 BEADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccns1 ZINC000925811904 646490386 /nfs/dbraw/zinc/49/03/86/646490386.db2.gz FWOJXWRTHRWPNN-UWVGGRQHSA-N 2 1 248.355 2.005 20 0 BEADMP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccoc1 ZINC000925840895 646506704 /nfs/dbraw/zinc/50/67/04/646506704.db2.gz DBIFLCMQGBRHEM-MRVWCRGKSA-N 2 1 234.343 2.462 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)CCS1 ZINC000925855540 646510750 /nfs/dbraw/zinc/51/07/50/646510750.db2.gz CQBYPLJGHDSAMS-KXNHARMFSA-N 2 1 228.405 2.001 20 0 BEADMP CCC[C@H](O)CC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000925856606 646510928 /nfs/dbraw/zinc/51/09/28/646510928.db2.gz JZFANHMKYTZZQQ-CQDKDKBSSA-N 2 1 248.370 2.272 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)Cc1ccccn1 ZINC000926334737 646619132 /nfs/dbraw/zinc/61/91/32/646619132.db2.gz YZLPHQKUKLIJFK-ZIAGYGMSSA-N 2 1 249.402 2.333 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1(F)CCC1 ZINC000926425955 646636579 /nfs/dbraw/zinc/63/65/79/646636579.db2.gz QDGPIFBDLAWWAT-FUNVUKJBSA-N 2 1 240.366 2.199 20 0 BEADMP CC[C@@H]1C[N@@H+](CCCC(C)(F)F)CC[C@@H]1[NH3+] ZINC000718709717 711663269 /nfs/dbraw/zinc/66/32/69/711663269.db2.gz UZEIRUQDIMJTKU-MNOVXSKESA-N 2 1 234.334 2.481 20 0 BEADMP CC[C@@H]1CC[C@@H](C)[N@H+]1CCC[NH2+]C1CC1 ZINC000136085664 711684260 /nfs/dbraw/zinc/68/42/60/711684260.db2.gz BPMBZLJZZDIQJM-DGCLKSJQSA-N 2 1 210.365 2.391 20 0 BEADMP CCCCCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000705427799 712131481 /nfs/dbraw/zinc/13/14/81/712131481.db2.gz XGQQELFVIJMWER-ZIAGYGMSSA-N 2 1 242.407 2.002 20 0 BEADMP CCCCCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000705427799 712131482 /nfs/dbraw/zinc/13/14/82/712131482.db2.gz XGQQELFVIJMWER-ZIAGYGMSSA-N 2 1 242.407 2.002 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@H]1CC(C)(C)OC1(C)C ZINC000709702651 712215973 /nfs/dbraw/zinc/21/59/73/712215973.db2.gz NXZQOMFRXGFNOB-UTUOFQBUSA-N 2 1 240.391 2.002 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@H]1CC(C)(C)OC1(C)C ZINC000709702651 712215974 /nfs/dbraw/zinc/21/59/74/712215974.db2.gz NXZQOMFRXGFNOB-UTUOFQBUSA-N 2 1 240.391 2.002 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@H](CC[NH3+])C1)C(C)(C)C ZINC000710719906 712255617 /nfs/dbraw/zinc/25/56/17/712255617.db2.gz RPJWQVQZNOSAAL-RYUDHWBXSA-N 2 1 212.381 2.339 20 0 BEADMP C[N@H+](C/C=C\Cl)CCCCCC[NH3+] ZINC000710683722 712254175 /nfs/dbraw/zinc/25/41/75/712254175.db2.gz KNKHCCVDTOFZBA-SREVYHEPSA-N 2 1 204.745 2.190 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000711144438 712285474 /nfs/dbraw/zinc/28/54/74/712285474.db2.gz MLAZDLOINPJYDP-IMRBUKKESA-N 2 1 222.376 2.249 20 0 BEADMP FC[C@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000711440733 712300997 /nfs/dbraw/zinc/30/09/97/712300997.db2.gz FCTQBAYWJPTYNG-CHWSQXEVSA-N 2 1 228.355 2.058 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000712684607 712440465 /nfs/dbraw/zinc/44/04/65/712440465.db2.gz IETXOMSSCWPXKB-ZRJCITRHSA-N 2 1 222.376 2.234 20 0 BEADMP C[NH2+]C1CC[NH+](C[C@@H]2CCCC(C)(C)O2)CC1 ZINC000714367785 712483832 /nfs/dbraw/zinc/48/38/32/712483832.db2.gz IKAPIJAZFRNZPU-ZDUSSCGKSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC000714375373 712484544 /nfs/dbraw/zinc/48/45/44/712484544.db2.gz UFDZXQYYZGCQHZ-XQQFMLRXSA-N 2 1 240.391 2.003 20 0 BEADMP Cc1cccc([C@H](C)[N@@H+](C)C[C@H](C)[NH3+])c1 ZINC000379828460 712615046 /nfs/dbraw/zinc/61/50/46/712615046.db2.gz YFUCUTXYNNWMBK-RYUDHWBXSA-N 2 1 206.333 2.335 20 0 BEADMP Cc1cccc([C@H](C)[N@H+](C)C[C@H](C)[NH3+])c1 ZINC000379828460 712615047 /nfs/dbraw/zinc/61/50/47/712615047.db2.gz YFUCUTXYNNWMBK-RYUDHWBXSA-N 2 1 206.333 2.335 20 0 BEADMP CC(F)(F)CCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000718571338 712774933 /nfs/dbraw/zinc/77/49/33/712774933.db2.gz MYEXYWJTICATEZ-QWRGUYRKSA-N 2 1 232.318 2.106 20 0 BEADMP CC(F)(F)CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000718571338 712774934 /nfs/dbraw/zinc/77/49/34/712774934.db2.gz MYEXYWJTICATEZ-QWRGUYRKSA-N 2 1 232.318 2.106 20 0 BEADMP CC(F)(F)CCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000718572608 712774998 /nfs/dbraw/zinc/77/49/98/712774998.db2.gz SAEYZXRXVULJLY-JTQLQIEISA-N 2 1 220.307 2.093 20 0 BEADMP C[C@@H]1CC[N@H+](CCCC(C)(F)F)[C@H](C[NH3+])C1 ZINC000718571052 712775211 /nfs/dbraw/zinc/77/52/11/712775211.db2.gz MJWGLHBPYHCKCK-MNOVXSKESA-N 2 1 234.334 2.481 20 0 BEADMP C[C@@H]1CC[N@@H+](CCCC(C)(F)F)[C@H](C[NH3+])C1 ZINC000718571052 712775214 /nfs/dbraw/zinc/77/52/14/712775214.db2.gz MJWGLHBPYHCKCK-MNOVXSKESA-N 2 1 234.334 2.481 20 0 BEADMP C(C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21)C1CCCC1 ZINC000720905499 712876606 /nfs/dbraw/zinc/87/66/06/712876606.db2.gz YZQMKIWOYNZRDJ-UONOGXRCSA-N 2 1 222.376 2.393 20 0 BEADMP C(C[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21)C1CCCC1 ZINC000720905499 712876608 /nfs/dbraw/zinc/87/66/08/712876608.db2.gz YZQMKIWOYNZRDJ-UONOGXRCSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@H]1SCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000381825923 710724552 /nfs/dbraw/zinc/72/45/52/710724552.db2.gz MHNOWAFARQPAGV-JVGWCMFKSA-N 2 1 240.416 2.095 20 0 BEADMP CCOc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000723670970 710731408 /nfs/dbraw/zinc/73/14/08/710731408.db2.gz XCBMZJDWIOANPC-CQSZACIVSA-N 2 1 248.370 2.256 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000382099358 710776521 /nfs/dbraw/zinc/77/65/21/710776521.db2.gz BEMFWOOQCJTESA-QWHCGFSZSA-N 2 1 242.432 2.204 20 0 BEADMP CC1(C)C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CCS1 ZINC000133325164 710970741 /nfs/dbraw/zinc/97/07/41/710970741.db2.gz MCIXGVRPYQCLGJ-ZDUSSCGKSA-N 2 1 242.432 2.204 20 0 BEADMP C[C@@H]([N@@H+](C)CCC[NH2+]C1CC1)C1(C)CC1 ZINC000385301949 711009921 /nfs/dbraw/zinc/00/99/21/711009921.db2.gz NCWRSOBUHYJHEI-LLVKDONJSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)[C@@H]1C ZINC000380702833 712902490 /nfs/dbraw/zinc/90/24/90/712902490.db2.gz XSIZJJVEFUAALL-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP Cc1csc(C[N@@H+](C)CCCCCC[NH3+])n1 ZINC000387426108 711042310 /nfs/dbraw/zinc/04/23/10/711042310.db2.gz HGEMAJWKWUIVCM-UHFFFAOYSA-N 2 1 241.404 2.402 20 0 BEADMP C[N@H+](CCCCCC[NH3+])Cc1nccs1 ZINC000387398731 711042442 /nfs/dbraw/zinc/04/24/42/711042442.db2.gz YCJIKVTZLDZEQH-UHFFFAOYSA-N 2 1 227.377 2.094 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])Cc1nccs1 ZINC000387398731 711042446 /nfs/dbraw/zinc/04/24/46/711042446.db2.gz YCJIKVTZLDZEQH-UHFFFAOYSA-N 2 1 227.377 2.094 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2C[C@@H](N)C(C)(C)C2)c1 ZINC000388047271 711050646 /nfs/dbraw/zinc/05/06/46/711050646.db2.gz HHHDMUSGJLJGSB-CQSZACIVSA-N 2 1 232.371 2.473 20 0 BEADMP C[NH2+]C1CC[NH+](CCCC(C)(F)F)CC1 ZINC000390067684 711104871 /nfs/dbraw/zinc/10/48/71/711104871.db2.gz DIQICICJHFYZAN-UHFFFAOYSA-N 2 1 220.307 2.106 20 0 BEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCCC1CC1)C2 ZINC000394493438 711193654 /nfs/dbraw/zinc/19/36/54/711193654.db2.gz AOHPZDUAHAYNQM-KBPBESRZSA-N 2 1 222.376 2.237 20 0 BEADMP C[N@@H+](CCCC1CC1)C1CCC([NH3+])CC1 ZINC000394605771 711195559 /nfs/dbraw/zinc/19/55/59/711195559.db2.gz ZBGISJHHMLCJTN-UHFFFAOYSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000396601529 711353161 /nfs/dbraw/zinc/35/31/61/711353161.db2.gz XPNMONIIVIRJJS-SRVKXCTJSA-N 2 1 228.405 2.002 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1Cc2ccccc21 ZINC000396564326 711355175 /nfs/dbraw/zinc/35/51/75/711355175.db2.gz UZCMVLIBFLMCEQ-NJZAAPMLSA-N 2 1 230.355 2.056 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000396644420 711356560 /nfs/dbraw/zinc/35/65/60/711356560.db2.gz BVFVVPSUNLZGTG-AVGNSLFASA-N 2 1 208.349 2.073 20 0 BEADMP CSCCCCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396576277 711357056 /nfs/dbraw/zinc/35/70/56/711357056.db2.gz NCGAJQVFNDPHGC-NWDGAFQWSA-N 2 1 230.421 2.250 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000396605734 711359201 /nfs/dbraw/zinc/35/92/01/711359201.db2.gz ZCBMXIFYUPHKHP-FZMZJTMJSA-N 2 1 236.334 2.098 20 0 BEADMP CCCC[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000389845450 711091231 /nfs/dbraw/zinc/09/12/31/711091231.db2.gz NLJGVIOBMFUSKL-OLZOCXBDSA-N 2 1 212.381 2.497 20 0 BEADMP CCCC[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000389845450 711091234 /nfs/dbraw/zinc/09/12/34/711091234.db2.gz NLJGVIOBMFUSKL-OLZOCXBDSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396662559 711363641 /nfs/dbraw/zinc/36/36/41/711363641.db2.gz OKANJBCXBRHBHB-LPWJVIDDSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCSC(C)(C)C ZINC000397268828 711380507 /nfs/dbraw/zinc/38/05/07/711380507.db2.gz MVMHFZZJTDCBQU-WDEREUQCSA-N 2 1 230.421 2.248 20 0 BEADMP CC(C)OCCC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713149182 711482689 /nfs/dbraw/zinc/48/26/89/711482689.db2.gz KIDOKBRGPILZMZ-UHFFFAOYSA-N 2 1 240.391 2.020 20 0 BEADMP CO[C@H](C[N@H+]1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000382366504 711502997 /nfs/dbraw/zinc/50/29/97/711502997.db2.gz XZADMMOQHNPRKP-UKRRQHHQSA-N 2 1 248.370 2.045 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000723104748 711503182 /nfs/dbraw/zinc/50/31/82/711503182.db2.gz ZGCCYHHLSAFXHA-RFGFWPKPSA-N 2 1 222.376 2.093 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000723132748 711506453 /nfs/dbraw/zinc/50/64/53/711506453.db2.gz CMXYLIOAFQATHT-KBXIAJHMSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000723471124 711512483 /nfs/dbraw/zinc/51/24/83/711512483.db2.gz RHULSGUGHGXAJQ-BNOWGMLFSA-N 2 1 218.344 2.417 20 0 BEADMP Cc1ccc(OCC[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000723670072 711532988 /nfs/dbraw/zinc/53/29/88/711532988.db2.gz OGHDATGOYFSPDC-CQSZACIVSA-N 2 1 248.370 2.045 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1F ZINC000723668759 711533045 /nfs/dbraw/zinc/53/30/45/711533045.db2.gz BUGPODAMVMEUAG-GFCCVEGCSA-N 2 1 236.334 2.305 20 0 BEADMP Cc1ccc(F)c(C[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000723668968 711533447 /nfs/dbraw/zinc/53/34/47/711533447.db2.gz DVWWLQYHJPLXIA-LBPRGKRZSA-N 2 1 236.334 2.305 20 0 BEADMP C[C@@H]1C[C@H](C)CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000723779263 711536769 /nfs/dbraw/zinc/53/67/69/711536769.db2.gz ICMKNACEUUGZLW-MCIONIFRSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H](c1ccccn1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723891847 711543909 /nfs/dbraw/zinc/54/39/09/711543909.db2.gz OMSAPIJMLRVVPH-FRRDWIJNSA-N 2 1 233.359 2.059 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1CC[NH3+] ZINC000723890313 711544395 /nfs/dbraw/zinc/54/43/95/711544395.db2.gz FTXHOOYIPZHCPV-DGCLKSJQSA-N 2 1 224.392 2.339 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CCC2CC=CC2)CC[N@H+]1C ZINC000724184472 711567042 /nfs/dbraw/zinc/56/70/42/711567042.db2.gz IXZAAVISTJCOKR-GXTWGEPZSA-N 2 1 222.376 2.415 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000382398352 711601793 /nfs/dbraw/zinc/60/17/93/711601793.db2.gz OZAKLGRPFRRQMX-RFQIPJPRSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000382398352 711601794 /nfs/dbraw/zinc/60/17/94/711601794.db2.gz OZAKLGRPFRRQMX-RFQIPJPRSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cccs1 ZINC000083758570 711661854 /nfs/dbraw/zinc/66/18/54/711661854.db2.gz GJFXRTHZRYNBFS-SNVBAGLBSA-N 2 1 212.362 2.211 20 0 BEADMP Cc1cnccc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000395360424 711694285 /nfs/dbraw/zinc/69/42/85/711694285.db2.gz JEJOJQKMPXRAGT-UHFFFAOYSA-N 2 1 233.359 2.092 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000925718609 711714628 /nfs/dbraw/zinc/71/46/28/711714628.db2.gz OFWZDRIOQBTQMN-HPCHECBXSA-N 2 1 222.376 2.153 20 0 BEADMP Cc1ccc(CC[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC000257644445 711720596 /nfs/dbraw/zinc/72/05/96/711720596.db2.gz BTYKLUHGDIQEAG-MRXNPFEDSA-N 2 1 244.382 2.365 20 0 BEADMP Cc1ccc(CC[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC000257644445 711720597 /nfs/dbraw/zinc/72/05/97/711720597.db2.gz BTYKLUHGDIQEAG-MRXNPFEDSA-N 2 1 244.382 2.365 20 0 BEADMP Cc1ccc(CC[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000257644444 711720759 /nfs/dbraw/zinc/72/07/59/711720759.db2.gz BTYKLUHGDIQEAG-INIZCTEOSA-N 2 1 244.382 2.365 20 0 BEADMP Cc1ccc(CC[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000257644444 711720761 /nfs/dbraw/zinc/72/07/61/711720761.db2.gz BTYKLUHGDIQEAG-INIZCTEOSA-N 2 1 244.382 2.365 20 0 BEADMP CC(C)(C)CC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335265170 711721308 /nfs/dbraw/zinc/72/13/08/711721308.db2.gz GEPPBOMLESHETG-ZDUSSCGKSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CCC=CCC1 ZINC000925880241 711761948 /nfs/dbraw/zinc/76/19/48/711761948.db2.gz HOUWTKHTYMHFIC-OCCSQVGLSA-N 2 1 222.376 2.320 20 0 BEADMP CSCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159983500 711805132 /nfs/dbraw/zinc/80/51/32/711805132.db2.gz RONSUOKOILJVQF-YNEHKIRRSA-N 2 1 242.432 2.344 20 0 BEADMP CSCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159983736 711805583 /nfs/dbraw/zinc/80/55/83/711805583.db2.gz RONSUOKOILJVQF-RWMBFGLXSA-N 2 1 242.432 2.344 20 0 BEADMP COC[C@H](C[N@H+]1CCCC[C@H]1CC[NH3+])C(C)C ZINC000721959262 711948038 /nfs/dbraw/zinc/94/80/38/711948038.db2.gz HGMRSTZDTFIJAJ-KBPBESRZSA-N 2 1 242.407 2.108 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H](CCF)C2)C1 ZINC000701895179 712031838 /nfs/dbraw/zinc/03/18/38/712031838.db2.gz CHDLQOCNUXNZNK-FRRDWIJNSA-N 2 1 228.355 2.185 20 0 BEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCC1CCCCC1)C2 ZINC000702071056 712037288 /nfs/dbraw/zinc/03/72/88/712037288.db2.gz IPXBWKOLRLQCSQ-LSDHHAIUSA-N 2 1 236.403 2.498 20 0 BEADMP C[C@H]1CCCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000703211907 712068453 /nfs/dbraw/zinc/06/84/53/712068453.db2.gz HRWDVYVROHUVLB-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]1CCCC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000703251665 712070011 /nfs/dbraw/zinc/07/00/11/712070011.db2.gz LLXDAIPUPMVANR-ZJUUUORDSA-N 2 1 220.307 2.091 20 0 BEADMP C[C@@H]1CCCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000703251665 712070012 /nfs/dbraw/zinc/07/00/12/712070012.db2.gz LLXDAIPUPMVANR-ZJUUUORDSA-N 2 1 220.307 2.091 20 0 BEADMP C[C@H](c1cccc(F)c1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703607546 712080720 /nfs/dbraw/zinc/08/07/20/712080720.db2.gz GEGQFWABXAAAJG-OSAQELSMSA-N 2 1 248.345 2.428 20 0 BEADMP C[C@H](c1cccc(F)c1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703607546 712080722 /nfs/dbraw/zinc/08/07/22/712080722.db2.gz GEGQFWABXAAAJG-OSAQELSMSA-N 2 1 248.345 2.428 20 0 BEADMP CC[C@H](C)C[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000703893629 712092459 /nfs/dbraw/zinc/09/24/59/712092459.db2.gz GAHYCIRASKJNGH-FUDCBSFHSA-N 2 1 224.392 2.495 20 0 BEADMP CCC(F)(F)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000704760083 712115425 /nfs/dbraw/zinc/11/54/25/712115425.db2.gz UWSBXCOKHQBOFQ-UHFFFAOYSA-N 2 1 232.318 2.107 20 0 BEADMP CCC(F)(F)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000704760083 712115428 /nfs/dbraw/zinc/11/54/28/712115428.db2.gz UWSBXCOKHQBOFQ-UHFFFAOYSA-N 2 1 232.318 2.107 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@@H]1CC=CCC1 ZINC000706881132 712158434 /nfs/dbraw/zinc/15/84/34/712158434.db2.gz NMENCDPCSPJBDH-BFHYXJOUSA-N 2 1 222.376 2.463 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000706916702 712158444 /nfs/dbraw/zinc/15/84/44/712158444.db2.gz JKHPRCIGUVPUQA-SDDRHHMPSA-N 2 1 208.349 2.049 20 0 BEADMP CSC1CC([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000706885883 712158938 /nfs/dbraw/zinc/15/89/38/712158938.db2.gz PJGSNSNNUFIAPU-PNESKVBLSA-N 2 1 242.432 2.202 20 0 BEADMP CC[N@@H+](C[C@@]1(C)CCC[NH2+]C1)C1CCC1 ZINC000706892301 712159534 /nfs/dbraw/zinc/15/95/34/712159534.db2.gz APIJSGKVFJJUJP-ZDUSSCGKSA-N 2 1 210.365 2.251 20 0 BEADMP C[NH2+]CCOCC[N@@H+](C)C[C@H](C)CC(C)(C)C ZINC000709184510 712197764 /nfs/dbraw/zinc/19/77/64/712197764.db2.gz AURAOYAZGZJFNJ-CYBMUJFWSA-N 2 1 244.423 2.227 20 0 BEADMP C[NH2+][C@@H]1CC[N@H+](C[C@H](C)CC(C)(C)C)C1 ZINC000709130697 712209750 /nfs/dbraw/zinc/20/97/50/712209750.db2.gz VTKIEAGPDKIXLY-VXGBXAGGSA-N 2 1 212.381 2.352 20 0 BEADMP C[NH2+][C@@H]1CC[N@@H+](C[C@H](C)CC(C)(C)C)C1 ZINC000709130697 712209751 /nfs/dbraw/zinc/20/97/51/712209751.db2.gz VTKIEAGPDKIXLY-VXGBXAGGSA-N 2 1 212.381 2.352 20 0 BEADMP C[NH2+][C@H]1CC[N@H+](C[C@H](C)CC(C)(C)C)C1 ZINC000709130692 712209857 /nfs/dbraw/zinc/20/98/57/712209857.db2.gz VTKIEAGPDKIXLY-NEPJUHHUSA-N 2 1 212.381 2.352 20 0 BEADMP C[NH2+][C@H]1CC[N@@H+](C[C@H](C)CC(C)(C)C)C1 ZINC000709130692 712209860 /nfs/dbraw/zinc/20/98/60/712209860.db2.gz VTKIEAGPDKIXLY-NEPJUHHUSA-N 2 1 212.381 2.352 20 0 BEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CCC(F)(F)C1)C2 ZINC000709843655 712229318 /nfs/dbraw/zinc/22/93/18/712229318.db2.gz NKROAILBWKIFON-BJDJZHNGSA-N 2 1 244.329 2.233 20 0 BEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC000709862457 712230153 /nfs/dbraw/zinc/23/01/53/712230153.db2.gz NIKZKNRVMNGQPH-FSKVPOERSA-N 2 1 234.387 2.234 20 0 BEADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709920527 712232449 /nfs/dbraw/zinc/23/24/49/712232449.db2.gz QDPRSMUKOPENNB-XGUBFFRZSA-N 2 1 234.387 2.108 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000710511333 712253797 /nfs/dbraw/zinc/25/37/97/712253797.db2.gz VRSSHSHUVXSJGW-PZWNZHSQSA-N 2 1 244.329 2.089 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000710895120 712262019 /nfs/dbraw/zinc/26/20/19/712262019.db2.gz FEDCHDBHPIMNFD-FICVDOATSA-N 2 1 234.387 2.417 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711171475 712288287 /nfs/dbraw/zinc/28/82/87/712288287.db2.gz YLHRNPPLNFRRQC-ITGUQSILSA-N 2 1 233.359 2.131 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H](CF)C1 ZINC000711417444 712299074 /nfs/dbraw/zinc/29/90/74/712299074.db2.gz VWQFIXDFWMODNR-NEPJUHHUSA-N 2 1 216.344 2.041 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H](CF)C1 ZINC000711417444 712299077 /nfs/dbraw/zinc/29/90/77/712299077.db2.gz VWQFIXDFWMODNR-NEPJUHHUSA-N 2 1 216.344 2.041 20 0 BEADMP C[C@]1(C[N@H+]2CCC[C@@H](CF)C2)CCC[NH2+]C1 ZINC000711420186 712299269 /nfs/dbraw/zinc/29/92/69/712299269.db2.gz XIPXAVXIPUFLFF-STQMWFEESA-N 2 1 228.355 2.058 20 0 BEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000923479455 712334294 /nfs/dbraw/zinc/33/42/94/712334294.db2.gz PCJQJFZLCGIDLC-LBPRGKRZSA-N 2 1 243.354 2.339 20 0 BEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712000265 712340056 /nfs/dbraw/zinc/34/00/56/712340056.db2.gz DWAGCMXNQXXKSR-HZSPNIEDSA-N 2 1 224.392 2.386 20 0 BEADMP Cl/C=C\C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000379590454 712389610 /nfs/dbraw/zinc/38/96/10/712389610.db2.gz PBJVENMRFVYUCE-QGILPKKRSA-N 2 1 228.767 2.203 20 0 BEADMP Cl/C=C\C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000379590454 712389611 /nfs/dbraw/zinc/38/96/11/712389611.db2.gz PBJVENMRFVYUCE-QGILPKKRSA-N 2 1 228.767 2.203 20 0 BEADMP C(C1CCCCC1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000390666519 712423499 /nfs/dbraw/zinc/42/34/99/712423499.db2.gz RSUWVIILDWEWKF-UONOGXRCSA-N 2 1 222.376 2.108 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)CC[N@H+]1C ZINC000712636136 712439085 /nfs/dbraw/zinc/43/90/85/712439085.db2.gz HBGVIVXLDJKQNZ-RZFFKMDDSA-N 2 1 236.403 2.495 20 0 BEADMP COc1ccc(C[N@@H+]2CC[NH2+]CCC2(C)C)cc1 ZINC000712561160 712445816 /nfs/dbraw/zinc/44/58/16/712445816.db2.gz HPPYYFBUZBBLDT-UHFFFAOYSA-N 2 1 248.370 2.269 20 0 BEADMP COc1ccc(C[N@H+]2CC[NH2+]CCC2(C)C)cc1 ZINC000712561160 712445817 /nfs/dbraw/zinc/44/58/17/712445817.db2.gz HPPYYFBUZBBLDT-UHFFFAOYSA-N 2 1 248.370 2.269 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000712692083 712448301 /nfs/dbraw/zinc/44/83/01/712448301.db2.gz IETXOMSSCWPXKB-ZZVYKPCYSA-N 2 1 222.376 2.234 20 0 BEADMP C=C/C=C\CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000713640752 712467861 /nfs/dbraw/zinc/46/78/61/712467861.db2.gz GSXRZLNOAUQNOH-OAWCYKKTSA-N 2 1 220.360 2.334 20 0 BEADMP C=C/C=C/CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000713691410 712469308 /nfs/dbraw/zinc/46/93/08/712469308.db2.gz BJJDWECBBMIAPC-JQSFKPKSSA-N 2 1 208.349 2.191 20 0 BEADMP C=C/C=C/CC[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000713736310 712470526 /nfs/dbraw/zinc/47/05/26/712470526.db2.gz TVYVSJCCSZIGSK-YBJDMEARSA-N 2 1 210.365 2.424 20 0 BEADMP C=C/C=C/CC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000713729161 712470811 /nfs/dbraw/zinc/47/08/11/712470811.db2.gz AVBPUGFJUPAANG-ITDFMYJTSA-N 2 1 208.349 2.180 20 0 BEADMP C=C/C=C\CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000713755448 712471779 /nfs/dbraw/zinc/47/17/79/712471779.db2.gz MZGCWFIZSJBIPL-VQTKUKTRSA-N 2 1 220.360 2.194 20 0 BEADMP C=C/C=C/CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000713755450 712471878 /nfs/dbraw/zinc/47/18/78/712471878.db2.gz MZGCWFIZSJBIPL-XGACYXMMSA-N 2 1 220.360 2.194 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714921313 712499978 /nfs/dbraw/zinc/49/99/78/712499978.db2.gz XMOYPQTVRBELLB-GHYVTOPFSA-N 2 1 222.376 2.092 20 0 BEADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC000715545407 712527243 /nfs/dbraw/zinc/52/72/43/712527243.db2.gz WOMJTEHJXITITK-MNOVXSKESA-N 2 1 239.388 2.106 20 0 BEADMP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000716585101 712564484 /nfs/dbraw/zinc/56/44/84/712564484.db2.gz RHPSWZASMPNWOJ-BYGOPZEFSA-N 2 1 236.403 2.351 20 0 BEADMP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000716531542 712567201 /nfs/dbraw/zinc/56/72/01/712567201.db2.gz NNEWQJMOCXHZIH-WZBKEBKWSA-N 2 1 222.376 2.009 20 0 BEADMP C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000716629517 712568089 /nfs/dbraw/zinc/56/80/89/712568089.db2.gz WMBHTKJQTPYJPW-KNPMLCFXSA-N 2 1 248.414 2.495 20 0 BEADMP C[N@@H+](CCCF)Cc1cccc2c1CC[NH2+]C2 ZINC000716770590 712572773 /nfs/dbraw/zinc/57/27/73/712572773.db2.gz YEFNZPUECMZUFG-UHFFFAOYSA-N 2 1 236.334 2.124 20 0 BEADMP C[N@@H+](CCCF)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000716770545 712572832 /nfs/dbraw/zinc/57/28/32/712572832.db2.gz XPCVUBNNBHQUBQ-UHFFFAOYSA-N 2 1 236.334 2.124 20 0 BEADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1ccccc1 ZINC000717307420 712646197 /nfs/dbraw/zinc/64/61/97/712646197.db2.gz MKNUVECSXAWZLO-LBPRGKRZSA-N 2 1 240.297 2.021 20 0 BEADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717936757 712734343 /nfs/dbraw/zinc/73/43/43/712734343.db2.gz ZADJYYRMRJDQRX-QNWHQSFQSA-N 2 1 210.365 2.234 20 0 BEADMP C[C@H]1C[NH2+]C[C@H]([NH2+]C2CCC=CCC2)C1 ZINC000718018986 712736741 /nfs/dbraw/zinc/73/67/41/712736741.db2.gz MSKUSGFJCPIPNJ-DGCLKSJQSA-N 2 1 208.349 2.073 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCC(C)(F)F)C1 ZINC000718569761 712774760 /nfs/dbraw/zinc/77/47/60/712774760.db2.gz HMUWOMKMJAXMFJ-VHSXEESVSA-N 2 1 220.307 2.091 20 0 BEADMP CC[C@@H](CC(F)F)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720850271 712870945 /nfs/dbraw/zinc/87/09/45/712870945.db2.gz PDCCVHOSZDDIIM-GMXVVIOVSA-N 2 1 246.345 2.209 20 0 BEADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)C1 ZINC001208603365 957091104 /nfs/dbraw/zinc/09/11/04/957091104.db2.gz BYPRICAZJBJWSX-MELADBBJSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@@H]3CCC[C@@H]3C2)C1 ZINC001208603365 957091111 /nfs/dbraw/zinc/09/11/11/957091111.db2.gz BYPRICAZJBJWSX-MELADBBJSA-N 2 1 222.376 2.060 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@@H]3CCC[C@H]3C2)C1 ZINC001208603362 957092609 /nfs/dbraw/zinc/09/26/09/957092609.db2.gz BYPRICAZJBJWSX-IHRRRGAJSA-N 2 1 222.376 2.060 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](C3CCC3)C2)C1 ZINC000692980157 957205577 /nfs/dbraw/zinc/20/55/77/957205577.db2.gz SMUOWSQKTGFRGB-BNOWGMLFSA-N 2 1 222.376 2.236 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cc2[nH]ccc2c[nH+]1 ZINC001164633112 719162205 /nfs/dbraw/zinc/16/22/05/719162205.db2.gz GQCPUZRVXALSJZ-WDEREUQCSA-N 2 1 244.342 2.092 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000723138840 958298906 /nfs/dbraw/zinc/29/89/06/958298906.db2.gz RDIPCCZPAMZUDL-ZOBORPQBSA-N 2 1 222.376 2.106 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000723138840 958298922 /nfs/dbraw/zinc/29/89/22/958298922.db2.gz RDIPCCZPAMZUDL-ZOBORPQBSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCOC1CCCC1 ZINC000925530894 960286264 /nfs/dbraw/zinc/28/62/64/960286264.db2.gz HHOSLVKKSNCKSQ-TZMCWYRMSA-N 2 1 240.391 2.066 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)CC1COC1 ZINC001167836813 961218671 /nfs/dbraw/zinc/21/86/71/961218671.db2.gz HPELDGUJRHEVKC-ZDUSSCGKSA-N 2 1 242.407 2.075 20 0 BEADMP CCO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000721246952 964088977 /nfs/dbraw/zinc/08/89/77/964088977.db2.gz YADAXWQLWWXNQU-ZIAGYGMSSA-N 2 1 240.391 2.018 20 0 BEADMP C[NH+](C)C1CCC([N@H+]2CCCC23CC3)CC1 ZINC001168315747 964418917 /nfs/dbraw/zinc/41/89/17/964418917.db2.gz MYLSQEFQYZKCAG-UHFFFAOYSA-N 2 1 222.376 2.488 20 0 BEADMP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000692976460 1165773766 /nfs/dbraw/zinc/77/37/66/1165773766.db2.gz SZSPASFJVUOROL-NEPJUHHUSA-N 2 1 246.345 2.481 20 0 BEADMP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000692976460 1165773772 /nfs/dbraw/zinc/77/37/72/1165773772.db2.gz SZSPASFJVUOROL-NEPJUHHUSA-N 2 1 246.345 2.481 20 0 BEADMP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000692976464 1165773803 /nfs/dbraw/zinc/77/38/03/1165773803.db2.gz SZSPASFJVUOROL-RYUDHWBXSA-N 2 1 246.345 2.481 20 0 BEADMP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000692976464 1165773808 /nfs/dbraw/zinc/77/38/08/1165773808.db2.gz SZSPASFJVUOROL-RYUDHWBXSA-N 2 1 246.345 2.481 20 0 BEADMP COc1ccccc1C[C@H](C)[N@H+]1CCC[C@@H]1CN ZINC000131355328 1165791580 /nfs/dbraw/zinc/79/15/80/1165791580.db2.gz IAYNJDBHILCWIO-GXTWGEPZSA-N 2 1 248.370 2.049 20 0 BEADMP COc1ccccc1C[C@H](C)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000131355328 1165791585 /nfs/dbraw/zinc/79/15/85/1165791585.db2.gz IAYNJDBHILCWIO-GXTWGEPZSA-N 2 1 248.370 2.049 20 0 BEADMP COc1ccccc1C[C@H](C)[N@H+]1CCC[C@@H]1C[NH3+] ZINC000131355328 1165791591 /nfs/dbraw/zinc/79/15/91/1165791591.db2.gz IAYNJDBHILCWIO-GXTWGEPZSA-N 2 1 248.370 2.049 20 0 BEADMP [NH3+]CCCO[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000211333700 1165794515 /nfs/dbraw/zinc/79/45/15/1165794515.db2.gz LJGCIXLPUZYBJN-OAHLLOKOSA-N 2 1 248.370 2.016 20 0 BEADMP Cc1cc(C)[nH+]c(N[C@@H](C)C[NH+](C)C)c1 ZINC000707898826 967376915 /nfs/dbraw/zinc/37/69/15/967376915.db2.gz JJTJMUDPGBULNT-NSHDSACASA-N 2 1 207.321 2.060 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)o1 ZINC001205255145 967438645 /nfs/dbraw/zinc/43/86/45/967438645.db2.gz HHOAHIISZDWRLB-ZDUSSCGKSA-N 2 1 222.332 2.291 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2ccco2)CC[C@@H]1C[NH3+] ZINC001205601953 967721741 /nfs/dbraw/zinc/72/17/41/967721741.db2.gz HCMMXMUGGXKSRQ-VXGBXAGGSA-N 2 1 222.332 2.086 20 0 BEADMP CC/C=C\CC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205735947 967809881 /nfs/dbraw/zinc/80/98/81/967809881.db2.gz SCXXNWBHHJOBKP-DLRQAJBASA-N 2 1 232.318 2.259 20 0 BEADMP CCc1ccc[nH+]c1N[C@H]1CCC[C@H]([NH3+])C1 ZINC001162394555 967824209 /nfs/dbraw/zinc/82/42/09/967824209.db2.gz QTCLLUHKFLKHLR-RYUDHWBXSA-N 2 1 219.332 2.326 20 0 BEADMP CCOC(C)(C)C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205982593 967936346 /nfs/dbraw/zinc/93/63/46/967936346.db2.gz MMAPRRONMHICOK-STQMWFEESA-N 2 1 242.407 2.108 20 0 BEADMP C[C@]1(C[NH3+])CCCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC001206542015 968353896 /nfs/dbraw/zinc/35/38/96/968353896.db2.gz PEVATNWFQNBGIR-ZIAGYGMSSA-N 2 1 240.391 2.006 20 0 BEADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(C)(C)C ZINC000389602821 1166032491 /nfs/dbraw/zinc/03/24/91/1166032491.db2.gz VYXANIFCJRERRA-LBPRGKRZSA-N 2 1 212.381 2.354 20 0 BEADMP C[C@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000829276002 968829856 /nfs/dbraw/zinc/82/98/56/968829856.db2.gz RLPKSISKKRXXLQ-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CCc2cccs2)C[NH2+]1 ZINC000399240328 1166175355 /nfs/dbraw/zinc/17/53/55/1166175355.db2.gz INSRJERSQMHBNI-GHMZBOCLSA-N 2 1 224.373 2.021 20 0 BEADMP N#CCC[N@@H+](CCCC[NH3+])Cc1ccccc1 ZINC000143005092 1166228766 /nfs/dbraw/zinc/22/87/66/1166228766.db2.gz AYYLKJDNBLRQPQ-UHFFFAOYSA-N 2 1 231.343 2.141 20 0 BEADMP N#CCC[N@H+](CCCC[NH3+])Cc1ccccc1 ZINC000143005092 1166228772 /nfs/dbraw/zinc/22/87/72/1166228772.db2.gz AYYLKJDNBLRQPQ-UHFFFAOYSA-N 2 1 231.343 2.141 20 0 BEADMP CC[NH+]1CCC(C[N@@H+]2C[C@@H](F)C[C@H]2CF)CC1 ZINC001208592472 969148277 /nfs/dbraw/zinc/14/82/77/969148277.db2.gz IYYDRNAYZCQLRA-STQMWFEESA-N 2 1 246.345 2.100 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](F)C[C@H]2CF)CC1 ZINC001208592472 969148279 /nfs/dbraw/zinc/14/82/79/969148279.db2.gz IYYDRNAYZCQLRA-STQMWFEESA-N 2 1 246.345 2.100 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CCCC23CC3)CC1 ZINC001208594829 969150706 /nfs/dbraw/zinc/15/07/06/969150706.db2.gz OIAQNACWXPDKNP-UHFFFAOYSA-N 2 1 222.376 2.347 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](F)C2)CC1 ZINC001208599421 969151918 /nfs/dbraw/zinc/15/19/18/969151918.db2.gz HKBLOCYQFLJSHJ-CYBMUJFWSA-N 2 1 228.355 2.152 20 0 BEADMP CC(C)CCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001208733581 969223828 /nfs/dbraw/zinc/22/38/28/969223828.db2.gz TYTVZSGHUYDBGT-KGLIPLIRSA-N 2 1 224.392 2.306 20 0 BEADMP CC(C)CCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001208733581 969223839 /nfs/dbraw/zinc/22/38/39/969223839.db2.gz TYTVZSGHUYDBGT-KGLIPLIRSA-N 2 1 224.392 2.306 20 0 BEADMP CC(C)CCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001208733581 969223850 /nfs/dbraw/zinc/22/38/50/969223850.db2.gz TYTVZSGHUYDBGT-KGLIPLIRSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CCC[C@@H](OC)C1 ZINC000226539028 1166288104 /nfs/dbraw/zinc/28/81/04/1166288104.db2.gz QBEYDSJLKQOUCJ-CHWSQXEVSA-N 2 1 228.380 2.005 20 0 BEADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCC[C@@H]1C(C)C ZINC000226560300 1166295709 /nfs/dbraw/zinc/29/57/09/1166295709.db2.gz UBQHAICHLBADPT-QWHCGFSZSA-N 2 1 212.381 2.338 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+](C)CCC[NH3+])CC(C)(C)C1 ZINC000227741939 1166306987 /nfs/dbraw/zinc/30/69/87/1166306987.db2.gz JKIWMZIRWASWGS-NEPJUHHUSA-N 2 1 212.381 2.482 20 0 BEADMP CC1(C)CC([NH3+])CC(C)(C)N1c1ccc(N)[nH+]c1 ZINC001167625376 1166316043 /nfs/dbraw/zinc/31/60/43/1166316043.db2.gz RICAOEXQSVXAGV-UHFFFAOYSA-N 2 1 248.374 2.149 20 0 BEADMP CCC(=O)C(C)(C)C[N@H+](CC)CCC[NH+](C)C ZINC001208920811 969303429 /nfs/dbraw/zinc/30/34/29/969303429.db2.gz HUQSWRMAZQKLJS-UHFFFAOYSA-N 2 1 242.407 2.265 20 0 BEADMP CCC(=O)C(C)(C)C[N@@H+](CC)CCC[NH+](C)C ZINC001208920811 969303435 /nfs/dbraw/zinc/30/34/35/969303435.db2.gz HUQSWRMAZQKLJS-UHFFFAOYSA-N 2 1 242.407 2.265 20 0 BEADMP CCCC[C@@H](CC)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000723469976 969318360 /nfs/dbraw/zinc/31/83/60/969318360.db2.gz KMWXUIZMOBEUDE-JHJVBQTASA-N 2 1 212.381 2.482 20 0 BEADMP C[N@H+](CCOc1ccccc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000158581926 1166412143 /nfs/dbraw/zinc/41/21/43/1166412143.db2.gz ZMXDIYJNVJILBA-LSDHHAIUSA-N 2 1 248.370 2.267 20 0 BEADMP C[N@@H+](CCOc1ccccc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000158581926 1166412147 /nfs/dbraw/zinc/41/21/47/1166412147.db2.gz ZMXDIYJNVJILBA-LSDHHAIUSA-N 2 1 248.370 2.267 20 0 BEADMP CC(C)(C)CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228534100 1166414135 /nfs/dbraw/zinc/41/41/35/1166414135.db2.gz AWRUHZQSYDDKOA-YNEHKIRRSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@]1(C[NH3+])CCCN(c2ccc3c([nH+]2)CCC3)C1 ZINC000708443812 1166416665 /nfs/dbraw/zinc/41/66/65/1166416665.db2.gz KQTKPHIPZICQDU-HNNXBMFYSA-N 2 1 245.370 2.136 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000250783394 1166429788 /nfs/dbraw/zinc/42/97/88/1166429788.db2.gz UNRGAQPCHRQAEI-KBPBESRZSA-N 2 1 224.392 2.497 20 0 BEADMP CCN1CCC([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)CC1 ZINC001169247085 969535921 /nfs/dbraw/zinc/53/59/21/969535921.db2.gz YYZAMPVCHAUGDE-PWSUYJOCSA-N 2 1 244.329 2.058 20 0 BEADMP CC[NH+]1CCC([N@H+]2C[C@H]3[C@H](CC3(F)F)C2)CC1 ZINC001169247085 969535927 /nfs/dbraw/zinc/53/59/27/969535927.db2.gz YYZAMPVCHAUGDE-PWSUYJOCSA-N 2 1 244.329 2.058 20 0 BEADMP CC[NH+]1CCC([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)CC1 ZINC001169247085 969535931 /nfs/dbraw/zinc/53/59/31/969535931.db2.gz YYZAMPVCHAUGDE-PWSUYJOCSA-N 2 1 244.329 2.058 20 0 BEADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]C1CCCC1 ZINC000309032282 1166468360 /nfs/dbraw/zinc/46/83/60/1166468360.db2.gz FOUQPWHXOJIDTJ-CHWSQXEVSA-N 2 1 210.365 2.391 20 0 BEADMP CC(C)(CC[NH2+][C@@H]1CCC[NH2+]C1)C1CC1 ZINC000328563524 1166476288 /nfs/dbraw/zinc/47/62/88/1166476288.db2.gz JIVCEKKUMJWWOX-GFCCVEGCSA-N 2 1 210.365 2.154 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2CCC23CCCC3)CC1 ZINC001254520687 969695504 /nfs/dbraw/zinc/69/55/04/969695504.db2.gz PGFFFOPLYLCTIX-CYBMUJFWSA-N 2 1 222.376 2.489 20 0 BEADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC23CCCC3)CC1 ZINC001254520687 969695509 /nfs/dbraw/zinc/69/55/09/969695509.db2.gz PGFFFOPLYLCTIX-CYBMUJFWSA-N 2 1 222.376 2.489 20 0 BEADMP C[NH+]1CCC[C@@H]([N@H+]2CCC23CCCC3)CC1 ZINC001254520687 969695515 /nfs/dbraw/zinc/69/55/15/969695515.db2.gz PGFFFOPLYLCTIX-CYBMUJFWSA-N 2 1 222.376 2.489 20 0 BEADMP CC[C@H]1CCC[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254522078 969698646 /nfs/dbraw/zinc/69/86/46/969698646.db2.gz BMSUZWITJLCNIM-STQMWFEESA-N 2 1 210.365 2.345 20 0 BEADMP CC[C@H]1CCC[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254522078 969698653 /nfs/dbraw/zinc/69/86/53/969698653.db2.gz BMSUZWITJLCNIM-STQMWFEESA-N 2 1 210.365 2.345 20 0 BEADMP C[N@@H+](CC1CCC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254522188 969709850 /nfs/dbraw/zinc/70/98/50/969709850.db2.gz DOBKPESONSXYBD-CYBMUJFWSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+](CC1CCC1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254522188 969709864 /nfs/dbraw/zinc/70/98/64/969709864.db2.gz DOBKPESONSXYBD-CYBMUJFWSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+](CC1CCC1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254522188 969709876 /nfs/dbraw/zinc/70/98/76/969709876.db2.gz DOBKPESONSXYBD-CYBMUJFWSA-N 2 1 210.365 2.203 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@H](CF)C2)CC1 ZINC001254524663 969716874 /nfs/dbraw/zinc/71/68/74/969716874.db2.gz YIOFIXUNOWACDW-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@H](CF)C2)CC1 ZINC001254524663 969716882 /nfs/dbraw/zinc/71/68/82/969716882.db2.gz YIOFIXUNOWACDW-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@H](CF)C2)CC1 ZINC001254524663 969716894 /nfs/dbraw/zinc/71/68/94/969716894.db2.gz YIOFIXUNOWACDW-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@H]([N@H+]2CCC3(CCC3)C2)CC1 ZINC001254525191 969717171 /nfs/dbraw/zinc/71/71/71/969717171.db2.gz HFLALUBRHCSESU-ZDUSSCGKSA-N 2 1 222.376 2.347 20 0 BEADMP Cc1cc(NC(C)(C)CC[NH+](C)C)nc(C)[nH+]1 ZINC001169710925 969830122 /nfs/dbraw/zinc/83/01/22/969830122.db2.gz AULRDFGQDTZFPL-UHFFFAOYSA-N 2 1 236.363 2.236 20 0 BEADMP CCCC[C@H](CC)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000309409524 1166540853 /nfs/dbraw/zinc/54/08/53/1166540853.db2.gz KABQJUBGNWPMEC-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP C1CC[NH+](C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC001255279266 970029849 /nfs/dbraw/zinc/02/98/49/970029849.db2.gz IUHIPCVBFYYAJA-CYBMUJFWSA-N 2 1 240.416 2.052 20 0 BEADMP [NH3+]CCC[C@@H]1CCCC[N@H+]([C@@H]2CCSC2)C1 ZINC001255280326 970032996 /nfs/dbraw/zinc/03/29/96/970032996.db2.gz YYUDMKSOSWSDCI-QWHCGFSZSA-N 2 1 242.432 2.333 20 0 BEADMP CCCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001255334043 970116381 /nfs/dbraw/zinc/11/63/81/970116381.db2.gz KXGLLGPODUIAFA-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP CCCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001255334043 970116386 /nfs/dbraw/zinc/11/63/86/970116386.db2.gz KXGLLGPODUIAFA-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP CCCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001255334043 970116392 /nfs/dbraw/zinc/11/63/92/970116392.db2.gz KXGLLGPODUIAFA-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP COC[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC000396138884 1166652122 /nfs/dbraw/zinc/65/21/22/1166652122.db2.gz OXJPVMVRVFYALT-HNNXBMFYSA-N 2 1 248.370 2.146 20 0 BEADMP C[C@H]1C[N@@H+](CCC2CCCC2)CC[C@H]1C[NH3+] ZINC000300719218 970298064 /nfs/dbraw/zinc/29/80/64/970298064.db2.gz AUMLOZMBKJYSCR-JSGCOSHPSA-N 2 1 224.392 2.483 20 0 BEADMP CCc1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)nc1 ZINC000379279792 1166699176 /nfs/dbraw/zinc/69/91/76/1166699176.db2.gz QBXZMGMCVXFPKM-UHFFFAOYSA-N 2 1 247.386 2.075 20 0 BEADMP C[C@@H](Cc1ccccc1F)[NH2+]C(C)(C)C[NH3+] ZINC001255830136 970506242 /nfs/dbraw/zinc/50/62/42/970506242.db2.gz QLLIJPDZMTUTRW-JTQLQIEISA-N 2 1 224.323 2.084 20 0 BEADMP C[C@@H]([NH2+]CCSC(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000400461925 970592641 /nfs/dbraw/zinc/59/26/41/970592641.db2.gz UVMHMQOPIWHJFW-GHMZBOCLSA-N 2 1 230.421 2.248 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001255957638 970597380 /nfs/dbraw/zinc/59/73/80/970597380.db2.gz UAHHAURNUZOCAP-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H]1COC ZINC001255957621 970597699 /nfs/dbraw/zinc/59/76/99/970597699.db2.gz SYATXVJECNJJDJ-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](CCOC)C(C)C ZINC001255959963 970601790 /nfs/dbraw/zinc/60/17/90/970601790.db2.gz BZOLWEOVDNSTOB-CQSZACIVSA-N 2 1 244.423 2.464 20 0 BEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167898230 1166899203 /nfs/dbraw/zinc/89/92/03/1166899203.db2.gz QDGXRGHPYIDNCU-FQUUOJAGSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CCC3(CCCC3)C2)C[NH2+]1 ZINC000304428691 1166917321 /nfs/dbraw/zinc/91/73/21/1166917321.db2.gz SDZDPUKCZQAGQD-CHWSQXEVSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CCC3(CCCC3)C2)C[NH2+]1 ZINC000304428692 1166917849 /nfs/dbraw/zinc/91/78/49/1166917849.db2.gz SDZDPUKCZQAGQD-OLZOCXBDSA-N 2 1 222.376 2.393 20 0 BEADMP C(C[NH2+][C@H]1CCC[NH2+]C1)CC1CCCC1 ZINC000225110495 1166918724 /nfs/dbraw/zinc/91/87/24/1166918724.db2.gz MRKURUCZEDZGQG-ZDUSSCGKSA-N 2 1 210.365 2.298 20 0 BEADMP CN1CCC([N@H+]2CCC[C@H](C(F)F)C2)CC1 ZINC001256207390 970715112 /nfs/dbraw/zinc/71/51/12/970715112.db2.gz HJIUHWZTWWLNIQ-JTQLQIEISA-N 2 1 232.318 2.058 20 0 BEADMP C[NH+]1CCC([N@@H+]2CCC[C@H](C(F)F)C2)CC1 ZINC001256207390 970715118 /nfs/dbraw/zinc/71/51/18/970715118.db2.gz HJIUHWZTWWLNIQ-JTQLQIEISA-N 2 1 232.318 2.058 20 0 BEADMP C[NH+]1CCC([N@H+]2CCC[C@H](C(F)F)C2)CC1 ZINC001256207390 970715125 /nfs/dbraw/zinc/71/51/25/970715125.db2.gz HJIUHWZTWWLNIQ-JTQLQIEISA-N 2 1 232.318 2.058 20 0 BEADMP Cc1ccc(C)c(CC[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000258836252 1166971393 /nfs/dbraw/zinc/97/13/93/1166971393.db2.gz DMQTUVDDLQIEDJ-HNNXBMFYSA-N 2 1 232.371 2.188 20 0 BEADMP CC[C@@H]1CC[C@@H]([N@@H+](C)CCC[NH+](C)C)C1 ZINC001173275528 975087033 /nfs/dbraw/zinc/08/70/33/975087033.db2.gz VUDICFJFSNUHIK-CHWSQXEVSA-N 2 1 212.381 2.449 20 0 BEADMP CCSC[C@H](C)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001173310506 975220690 /nfs/dbraw/zinc/22/06/90/975220690.db2.gz YJIARXPNXWJLME-LBPRGKRZSA-N 2 1 242.432 2.298 20 0 BEADMP C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000310407041 1167105277 /nfs/dbraw/zinc/10/52/77/1167105277.db2.gz OKNLORWCPXABKS-GJZGRUSLSA-N 2 1 236.403 2.498 20 0 BEADMP CCC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)OC ZINC000383243199 1167118050 /nfs/dbraw/zinc/11/80/50/1167118050.db2.gz ZZNMZOZREJOJPE-HZSPNIEDSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)OC ZINC000383243199 1167118052 /nfs/dbraw/zinc/11/80/52/1167118052.db2.gz ZZNMZOZREJOJPE-HZSPNIEDSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1cc(Cl)ccc1C[NH2+]C(C)(C)C[NH3+] ZINC000308793700 1167200051 /nfs/dbraw/zinc/20/00/51/1167200051.db2.gz BREFTFGYTBOEHG-UHFFFAOYSA-N 2 1 226.751 2.475 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)Nc1cc[nH+]cc1 ZINC000309124175 1167254167 /nfs/dbraw/zinc/25/41/67/1167254167.db2.gz VOGLNDSZKYWUCL-NSHDSACASA-N 2 1 207.321 2.222 20 0 BEADMP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC000309236976 1167271490 /nfs/dbraw/zinc/27/14/90/1167271490.db2.gz XSKHLAYIAOYXFS-FRRDWIJNSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)CC[NH2+]CC[NH+]1CCCCCC1 ZINC000040433296 1167282833 /nfs/dbraw/zinc/28/28/33/1167282833.db2.gz CWRVUUPBIKVARB-UHFFFAOYSA-N 2 1 212.381 2.498 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+]CC2CC(C)(C)C2)CC1 ZINC000309614618 1167333080 /nfs/dbraw/zinc/33/30/80/1167333080.db2.gz CIZQKKJZYMRWPX-CYBMUJFWSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCC(C)(C)SC ZINC000385289689 1167388788 /nfs/dbraw/zinc/38/87/88/1167388788.db2.gz IEARNIHUAIFTSA-NSHDSACASA-N 2 1 230.421 2.202 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCC(C)(C)SC ZINC000385289689 1167388792 /nfs/dbraw/zinc/38/87/92/1167388792.db2.gz IEARNIHUAIFTSA-NSHDSACASA-N 2 1 230.421 2.202 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C[C@@H](C)C1 ZINC000310143888 1167422988 /nfs/dbraw/zinc/42/29/88/1167422988.db2.gz DUSUNTAUQCIRJV-CBBWQLFWSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](C)C2)C[C@@H]1C ZINC000251799932 1167458566 /nfs/dbraw/zinc/45/85/66/1167458566.db2.gz LXQXEXNCOGRKQX-RQJABVFESA-N 2 1 224.392 2.352 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@H](C)C2)C1 ZINC000251931655 1167465459 /nfs/dbraw/zinc/46/54/59/1167465459.db2.gz VJDBPCSZJZHVFS-MELADBBJSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[N@@H+](CC1CC[NH2+]CC1)[C@@H](C)CC ZINC000086701982 1167640483 /nfs/dbraw/zinc/64/04/83/1167640483.db2.gz JTFNNRSGNRGPTC-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+]([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168403703 1167653540 /nfs/dbraw/zinc/65/35/40/1167653540.db2.gz JMZWNFIBOCUYSI-GJZGRUSLSA-N 2 1 248.345 2.106 20 0 BEADMP [NH3+][C@H]1CCC[N@H+]([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168403703 1167653547 /nfs/dbraw/zinc/65/35/47/1167653547.db2.gz JMZWNFIBOCUYSI-GJZGRUSLSA-N 2 1 248.345 2.106 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+]([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168403705 1167654089 /nfs/dbraw/zinc/65/40/89/1167654089.db2.gz JMZWNFIBOCUYSI-HUUCEWRRSA-N 2 1 248.345 2.106 20 0 BEADMP [NH3+][C@@H]1CCC[N@H+]([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168403705 1167654093 /nfs/dbraw/zinc/65/40/93/1167654093.db2.gz JMZWNFIBOCUYSI-HUUCEWRRSA-N 2 1 248.345 2.106 20 0 BEADMP C[C@@]1(C[NH3+])CCC[N@@H+](C[C@@H]2CCC=CO2)CC1 ZINC001206293279 978291773 /nfs/dbraw/zinc/29/17/73/978291773.db2.gz GYCVALYSUFTMPZ-UONOGXRCSA-N 2 1 238.375 2.130 20 0 BEADMP CS[C@@H](C)CC[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235120400 978977758 /nfs/dbraw/zinc/97/77/58/978977758.db2.gz AMTLETVRWAFACP-STQMWFEESA-N 2 1 242.432 2.346 20 0 BEADMP C(C1CCC1)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235122647 978979422 /nfs/dbraw/zinc/97/94/22/978979422.db2.gz HPWIHAUGJIGRAF-ZDUSSCGKSA-N 2 1 208.349 2.005 20 0 BEADMP [NH3+]CCCC[N@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001236432617 1168225997 /nfs/dbraw/zinc/22/59/97/1168225997.db2.gz ACQXYQFTYUEPBQ-CQSZACIVSA-N 2 1 240.391 2.006 20 0 BEADMP COCC[N@H+](CCC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236327004 979538226 /nfs/dbraw/zinc/53/82/26/979538226.db2.gz IVRZXPHGZBWDIT-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP COCC[N@@H+](CCC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236327004 979538233 /nfs/dbraw/zinc/53/82/33/979538233.db2.gz IVRZXPHGZBWDIT-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@]1([NH3+])CCC[N@@H+](CCC2CCOCC2)CC1 ZINC001205255773 979738054 /nfs/dbraw/zinc/73/80/54/979738054.db2.gz KSLJUGISNUCJAO-AWEZNQCLSA-N 2 1 240.391 2.006 20 0 BEADMP CCCCCC[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282014 1168323866 /nfs/dbraw/zinc/32/38/66/1168323866.db2.gz LTWBYZHNBNIHMC-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H]([NH3+])C[N@H+](C)CCCc1ccc(F)cc1 ZINC001236858255 979767836 /nfs/dbraw/zinc/76/78/36/979767836.db2.gz AMESLLJCMIFXDT-AWEZNQCLSA-N 2 1 238.350 2.427 20 0 BEADMP CC[C@H]([NH3+])C[N@@H+](C)CCCc1ccc(F)cc1 ZINC001236858255 979767849 /nfs/dbraw/zinc/76/78/49/979767849.db2.gz AMESLLJCMIFXDT-AWEZNQCLSA-N 2 1 238.350 2.427 20 0 BEADMP C(C[N@H+]1CCCC[C@]12CC[NH2+]C2)C1CC1 ZINC000257653985 1168335678 /nfs/dbraw/zinc/33/56/78/1168335678.db2.gz DYQIHSAJEAAOMH-CYBMUJFWSA-N 2 1 208.349 2.005 20 0 BEADMP Cc1ncc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)s1 ZINC001205265319 979815974 /nfs/dbraw/zinc/81/59/74/979815974.db2.gz PTPABFSRCDAFSA-GFCCVEGCSA-N 2 1 239.388 2.155 20 0 BEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](C/C=C\c1ccccc1)C2 ZINC000703593995 1168395381 /nfs/dbraw/zinc/39/53/81/1168395381.db2.gz BECNUVXDCNFJMA-OXUBUWLOSA-N 2 1 242.366 2.241 20 0 BEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C/C=C\c1ccccc1)C2 ZINC000703593995 1168395386 /nfs/dbraw/zinc/39/53/86/1168395386.db2.gz BECNUVXDCNFJMA-OXUBUWLOSA-N 2 1 242.366 2.241 20 0 BEADMP C[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000037484636 1168418470 /nfs/dbraw/zinc/41/84/70/1168418470.db2.gz BBTVVGXGKRDVLS-RWMBFGLXSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1c2sccc2CC[N@@H+]1CCC[NH3+] ZINC000712269299 1168423959 /nfs/dbraw/zinc/42/39/59/1168423959.db2.gz ZTPLQBFOYCCVEQ-SECBINFHSA-N 2 1 210.346 2.016 20 0 BEADMP CCc1cccnc1[C@@H](C)[NH2+]CC[C@H](C)[NH2+]C ZINC001345481618 980617572 /nfs/dbraw/zinc/61/75/72/980617572.db2.gz FCNFQYSOVOKKPJ-NWDGAFQWSA-N 2 1 235.375 2.293 20 0 BEADMP CCCC[N@H+](CC)CC[NH2+][C@H]1CCCOCC1 ZINC001170776465 1168594898 /nfs/dbraw/zinc/59/48/98/1168594898.db2.gz PWOONYFLMWKQHZ-AWEZNQCLSA-N 2 1 242.407 2.267 20 0 BEADMP CCCC[N@@H+](CC)CC[NH2+][C@H]1CCCOCC1 ZINC001170776465 1168594906 /nfs/dbraw/zinc/59/49/06/1168594906.db2.gz PWOONYFLMWKQHZ-AWEZNQCLSA-N 2 1 242.407 2.267 20 0 BEADMP CC(C)CC[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC000257690695 1168599825 /nfs/dbraw/zinc/59/98/25/1168599825.db2.gz NMBYORZWJSDGEV-ZDUSSCGKSA-N 2 1 210.365 2.251 20 0 BEADMP CO[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001348100597 981281880 /nfs/dbraw/zinc/28/18/80/981281880.db2.gz YFSFFZCTDWMZJU-FRRDWIJNSA-N 2 1 240.391 2.016 20 0 BEADMP C1[C@@H]2C[NH2+]C[C@H]2[N@@H+]1C1CCCCCCC1 ZINC001246914874 1168660105 /nfs/dbraw/zinc/66/01/05/1168660105.db2.gz DQIPHPQXBWPYEX-WCQYABFASA-N 2 1 208.349 2.003 20 0 BEADMP C1[C@@H]2C[NH2+]C[C@H]2[N@H+]1C1CCCCCCC1 ZINC001246914874 1168660110 /nfs/dbraw/zinc/66/01/10/1168660110.db2.gz DQIPHPQXBWPYEX-WCQYABFASA-N 2 1 208.349 2.003 20 0 BEADMP CC[C@H](C)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205605135 1168791021 /nfs/dbraw/zinc/79/10/21/1168791021.db2.gz ZFSKTNUGBGMHML-RWMBFGLXSA-N 2 1 212.381 2.339 20 0 BEADMP C[C@H]1C[C@H]1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001276034155 1169064460 /nfs/dbraw/zinc/06/44/60/1169064460.db2.gz RFFDYTGSCGCPMB-KBPBESRZSA-N 2 1 236.403 2.450 20 0 BEADMP CO[C@H]1CC[C@@H](C)[N@@H+](CCCCCCC[NH3+])C1 ZINC000687197958 1169122265 /nfs/dbraw/zinc/12/22/65/1169122265.db2.gz UXZMLYLYFISVFH-KGLIPLIRSA-N 2 1 242.407 2.395 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCC1CCC1 ZINC000689072001 1169170506 /nfs/dbraw/zinc/17/05/06/1169170506.db2.gz WNUFUCIVSILLBJ-WCQYABFASA-N 2 1 210.365 2.297 20 0 BEADMP CCOCC[C@H](C)[N@H+](C)C1CC[NH+](CC)CC1 ZINC001172428828 974706259 /nfs/dbraw/zinc/70/62/59/974706259.db2.gz OFFOIMZKIUXKQG-ZDUSSCGKSA-N 2 1 242.407 2.218 20 0 BEADMP CCOCC[C@H](C)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001172428828 974706267 /nfs/dbraw/zinc/70/62/67/974706267.db2.gz OFFOIMZKIUXKQG-ZDUSSCGKSA-N 2 1 242.407 2.218 20 0 BEADMP CC(C)OCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001172439083 974795260 /nfs/dbraw/zinc/79/52/60/974795260.db2.gz XSMKMYPTGNXKDR-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)OCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001172441542 974798470 /nfs/dbraw/zinc/79/84/70/974798470.db2.gz XAOPFVYUVSTETC-MJBXVCDLSA-N 2 1 242.407 2.120 20 0 BEADMP CC[C@@H]([NH2+]C/C=C/C1CC1)[C@@H]1CCC[NH2+]1 ZINC001331836549 974832322 /nfs/dbraw/zinc/83/23/22/974832322.db2.gz XTCYRNVBMDOBAC-CBSYICTRSA-N 2 1 208.349 2.073 20 0 BEADMP CCCCC[C@H](C)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246545974 972659626 /nfs/dbraw/zinc/65/96/26/972659626.db2.gz XUBJYZWDTIIYLM-KBPBESRZSA-N 2 1 242.407 2.131 20 0 BEADMP C[C@H](CC1CC1)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246560411 972793915 /nfs/dbraw/zinc/79/39/15/972793915.db2.gz ULPMPFLRVLILIC-MWLCHTKSSA-N 2 1 232.318 2.091 20 0 BEADMP CSCC[C@H](C)[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246641370 973062186 /nfs/dbraw/zinc/06/21/86/973062186.db2.gz DUPVNDCIFAAVST-QWHCGFSZSA-N 2 1 242.432 2.346 20 0 BEADMP CSCC[C@H](C)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246641370 973062198 /nfs/dbraw/zinc/06/21/98/973062198.db2.gz DUPVNDCIFAAVST-QWHCGFSZSA-N 2 1 242.432 2.346 20 0 BEADMP CSCC[C@@H](C)[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246641364 973062274 /nfs/dbraw/zinc/06/22/74/973062274.db2.gz DUPVNDCIFAAVST-OLZOCXBDSA-N 2 1 242.432 2.346 20 0 BEADMP CSCC[C@@H](C)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246641364 973062281 /nfs/dbraw/zinc/06/22/81/973062281.db2.gz DUPVNDCIFAAVST-OLZOCXBDSA-N 2 1 242.432 2.346 20 0 BEADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246666656 973072495 /nfs/dbraw/zinc/07/24/95/973072495.db2.gz WVMYHYMFPFBHBB-VJTDZRGJSA-N 2 1 224.392 2.336 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cnccc1C ZINC001329025139 973438037 /nfs/dbraw/zinc/43/80/37/973438037.db2.gz ZDSBPSGTXUFOAI-NWDGAFQWSA-N 2 1 221.348 2.039 20 0 BEADMP CSCC[C@@H](C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246933135 973595593 /nfs/dbraw/zinc/59/55/93/973595593.db2.gz QQMMEJKBCNSAJL-UPJWGTAASA-N 2 1 242.432 2.059 20 0 BEADMP C[C@@H](Cc1ccccn1)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001256399649 970806287 /nfs/dbraw/zinc/80/62/87/970806287.db2.gz QPVZLZAONYSICO-OPFPJEHXSA-N 2 1 247.386 2.214 20 0 BEADMP C[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256621154 970887447 /nfs/dbraw/zinc/88/74/47/970887447.db2.gz LGOKUHAUQIJXDM-ICIURTGMSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256621154 970887451 /nfs/dbraw/zinc/88/74/51/970887451.db2.gz LGOKUHAUQIJXDM-ICIURTGMSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256621154 970887458 /nfs/dbraw/zinc/88/74/58/970887458.db2.gz LGOKUHAUQIJXDM-ICIURTGMSA-N 2 1 222.376 2.344 20 0 BEADMP CC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001256621591 970887847 /nfs/dbraw/zinc/88/78/47/970887847.db2.gz XSJFPIJDTYLEML-PBWFPOADSA-N 2 1 222.376 2.344 20 0 BEADMP CCCCCC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403174067 970894225 /nfs/dbraw/zinc/89/42/25/970894225.db2.gz OGNBLWYPWUIXSL-LLVKDONJSA-N 2 1 234.334 2.483 20 0 BEADMP C[C@@H](Cc1ccncc1)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001256721753 970941155 /nfs/dbraw/zinc/94/11/55/970941155.db2.gz UTTNUTXIDOGEHI-ZFWWWQNUSA-N 2 1 247.386 2.087 20 0 BEADMP CC(C)(C[NH3+])[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256787709 970989462 /nfs/dbraw/zinc/98/94/62/970989462.db2.gz WQHMXFWNNFIMJG-ZIAGYGMSSA-N 2 1 248.370 2.234 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC=C(Cl)Cl)C[C@@H]21 ZINC000403636642 970999986 /nfs/dbraw/zinc/99/99/86/970999986.db2.gz OIXYPFWDIQVCOC-KXUCPTDWSA-N 2 1 249.185 2.365 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC=C(Cl)Cl)C[C@@H]21 ZINC000403636642 970999989 /nfs/dbraw/zinc/99/99/89/970999989.db2.gz OIXYPFWDIQVCOC-KXUCPTDWSA-N 2 1 249.185 2.365 20 0 BEADMP C[C@H]1C[C@@H](CF)[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208107788 1169502792 /nfs/dbraw/zinc/50/27/92/1169502792.db2.gz KKWMLLBXTVSFNY-STQMWFEESA-N 2 1 242.382 2.398 20 0 BEADMP C[N@H+]1CCc2cc(C3=C[NH2+]CCC3)ccc2C1 ZINC001243950582 971043792 /nfs/dbraw/zinc/04/37/92/971043792.db2.gz GWNCQGNMYFRLJP-UHFFFAOYSA-N 2 1 228.339 2.399 20 0 BEADMP CC(C)[NH+]1CCC([N@@H+]2CCCC23CC3)CC1 ZINC001257213300 971128482 /nfs/dbraw/zinc/12/84/82/971128482.db2.gz KLPLNMRIXDNULA-UHFFFAOYSA-N 2 1 222.376 2.488 20 0 BEADMP CC(C)[NH+]1CCC([N@H+]2CCCC23CC3)CC1 ZINC001257213300 971128490 /nfs/dbraw/zinc/12/84/90/971128490.db2.gz KLPLNMRIXDNULA-UHFFFAOYSA-N 2 1 222.376 2.488 20 0 BEADMP CC(C)[NH+]1CCC([N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC1 ZINC001257221695 971133218 /nfs/dbraw/zinc/13/32/18/971133218.db2.gz DDVQWKMGJGHRRK-ZSOGYDGISA-N 2 1 240.366 2.007 20 0 BEADMP CC(C)N1CCC([N@H+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC001257217748 971132644 /nfs/dbraw/zinc/13/26/44/971132644.db2.gz ODMDDJGVEGVDSC-GXTWGEPZSA-N 2 1 222.376 2.344 20 0 BEADMP CC(C)[NH+]1CCC([N@@H+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC001257217748 971132650 /nfs/dbraw/zinc/13/26/50/971132650.db2.gz ODMDDJGVEGVDSC-GXTWGEPZSA-N 2 1 222.376 2.344 20 0 BEADMP CC(C)[NH+]1CCC([N@H+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC001257217748 971132655 /nfs/dbraw/zinc/13/26/55/971132655.db2.gz ODMDDJGVEGVDSC-GXTWGEPZSA-N 2 1 222.376 2.344 20 0 BEADMP CC(C)[NH+]1CCC([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC1 ZINC001257221695 971133232 /nfs/dbraw/zinc/13/32/32/971133232.db2.gz DDVQWKMGJGHRRK-ZSOGYDGISA-N 2 1 240.366 2.007 20 0 BEADMP C[C@@H]1CCC[N@@H+](C/C=C/Cl)[C@@H]1CC[NH3+] ZINC000404368522 971157880 /nfs/dbraw/zinc/15/78/80/971157880.db2.gz QEZLGAGLQVDZBW-NNPIPJJVSA-N 2 1 216.756 2.188 20 0 BEADMP CCC[C@H](C)[N@@H+](CCOC)C1CCN(C)CC1 ZINC001257321747 971224901 /nfs/dbraw/zinc/22/49/01/971224901.db2.gz VWYCIIKXVSJMKM-ZDUSSCGKSA-N 2 1 242.407 2.218 20 0 BEADMP CCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001257327069 971226168 /nfs/dbraw/zinc/22/61/68/971226168.db2.gz GEVPISPEIPQVKA-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1 ZINC001257327069 971226174 /nfs/dbraw/zinc/22/61/74/971226174.db2.gz GEVPISPEIPQVKA-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001257327069 971226181 /nfs/dbraw/zinc/22/61/81/971226181.db2.gz GEVPISPEIPQVKA-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)nc1C ZINC000405459086 971257969 /nfs/dbraw/zinc/25/79/69/971257969.db2.gz IIPCNQVIWLMIQV-KGLIPLIRSA-N 2 1 245.370 2.058 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC000405886485 971319565 /nfs/dbraw/zinc/31/95/65/971319565.db2.gz WODQRMCGSSOENR-CQSZACIVSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CC[C@@](C)([NH3+])C1 ZINC000405886485 971319572 /nfs/dbraw/zinc/31/95/72/971319572.db2.gz WODQRMCGSSOENR-CQSZACIVSA-N 2 1 218.344 2.227 20 0 BEADMP CCCCC[C@H](C)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001257504660 971422569 /nfs/dbraw/zinc/42/25/69/971422569.db2.gz YZSIGWYNHNHMCI-NEPJUHHUSA-N 2 1 200.370 2.482 20 0 BEADMP CCCCC[C@@H](C)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001257504666 971423760 /nfs/dbraw/zinc/42/37/60/971423760.db2.gz YZSIGWYNHNHMCI-VXGBXAGGSA-N 2 1 200.370 2.482 20 0 BEADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCCSC1 ZINC001257678298 971482809 /nfs/dbraw/zinc/48/28/09/971482809.db2.gz URQDTSAUPYUONY-ZDUSSCGKSA-N 2 1 242.432 2.156 20 0 BEADMP CC(C)OC1CCC([N@H+](C)C[C@H](C)C[NH3+])CC1 ZINC001257874567 971511586 /nfs/dbraw/zinc/51/15/86/971511586.db2.gz FRHRVBGYQBNLSW-IYXRBSQSSA-N 2 1 242.407 2.249 20 0 BEADMP CC[N@@H+](CCOC)C1CC[NH+](CC(C)C)CC1 ZINC001258012013 971554312 /nfs/dbraw/zinc/55/43/12/971554312.db2.gz RNHALYGFQCFMCL-UHFFFAOYSA-N 2 1 242.407 2.075 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170714787 971626401 /nfs/dbraw/zinc/62/64/01/971626401.db2.gz ALBXIKFEYCXRIR-SYQHCUMBSA-N 2 1 236.403 2.352 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170714789 971628179 /nfs/dbraw/zinc/62/81/79/971628179.db2.gz ALBXIKFEYCXRIR-YIYPIFLZSA-N 2 1 236.403 2.352 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](CCc2cccs2)CC[C@H]1F ZINC001206154518 974328071 /nfs/dbraw/zinc/32/80/71/974328071.db2.gz JPGQJNMZAQPBJK-VXGBXAGGSA-N 2 1 242.363 2.052 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](CCc2cccs2)CC[C@H]1F ZINC001206154518 974328078 /nfs/dbraw/zinc/32/80/78/974328078.db2.gz JPGQJNMZAQPBJK-VXGBXAGGSA-N 2 1 242.363 2.052 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](CCc2cccs2)CC[C@@H]1F ZINC001206154514 974331757 /nfs/dbraw/zinc/33/17/57/974331757.db2.gz JPGQJNMZAQPBJK-NWDGAFQWSA-N 2 1 242.363 2.052 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](CCc2cccs2)CC[C@@H]1F ZINC001206154514 974331747 /nfs/dbraw/zinc/33/17/47/974331747.db2.gz JPGQJNMZAQPBJK-NWDGAFQWSA-N 2 1 242.363 2.052 20 0 BEADMP [NH3+][C@H]1CC[N@H+](CCc2cccs2)CC[C@H]1F ZINC001206154513 974332269 /nfs/dbraw/zinc/33/22/69/974332269.db2.gz JPGQJNMZAQPBJK-NEPJUHHUSA-N 2 1 242.363 2.052 20 0 BEADMP [NH3+][C@H]1CC[N@@H+](CCc2cccs2)CC[C@H]1F ZINC001206154513 974332278 /nfs/dbraw/zinc/33/22/78/974332278.db2.gz JPGQJNMZAQPBJK-NEPJUHHUSA-N 2 1 242.363 2.052 20 0 BEADMP Cc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156394 974339869 /nfs/dbraw/zinc/33/98/69/974339869.db2.gz QMNIKRVMJWIZPQ-UONOGXRCSA-N 2 1 236.334 2.256 20 0 BEADMP Cc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156394 974339880 /nfs/dbraw/zinc/33/98/80/974339880.db2.gz QMNIKRVMJWIZPQ-UONOGXRCSA-N 2 1 236.334 2.256 20 0 BEADMP CC(C)(C)CC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156193 974341299 /nfs/dbraw/zinc/34/12/99/974341299.db2.gz OLHMMTCTTGJHCP-QWRGUYRKSA-N 2 1 216.344 2.184 20 0 BEADMP CC(C)(C)CC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156193 974341310 /nfs/dbraw/zinc/34/13/10/974341310.db2.gz OLHMMTCTTGJHCP-QWRGUYRKSA-N 2 1 216.344 2.184 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170738712 971691513 /nfs/dbraw/zinc/69/15/13/971691513.db2.gz KEUARZCFMDXHLO-XGFWRYKXSA-N 2 1 236.403 2.351 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170738712 971691517 /nfs/dbraw/zinc/69/15/17/971691517.db2.gz KEUARZCFMDXHLO-XGFWRYKXSA-N 2 1 236.403 2.351 20 0 BEADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCc4[nH+]ccn4CC3)C[C@@H]21 ZINC001170761923 971745510 /nfs/dbraw/zinc/74/55/10/971745510.db2.gz PKXCSPWVDZUSFD-XYYAHUGASA-N 2 1 245.370 2.176 20 0 BEADMP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CCc4[nH+]ccn4CC3)C[C@@H]21 ZINC001170761923 971745516 /nfs/dbraw/zinc/74/55/16/971745516.db2.gz PKXCSPWVDZUSFD-XYYAHUGASA-N 2 1 245.370 2.176 20 0 BEADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170763745 971747958 /nfs/dbraw/zinc/74/79/58/971747958.db2.gz CMBDVZHDGKKAGA-HLPPOEQASA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170763745 971747968 /nfs/dbraw/zinc/74/79/68/971747968.db2.gz CMBDVZHDGKKAGA-HLPPOEQASA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170763745 971747976 /nfs/dbraw/zinc/74/79/76/971747976.db2.gz CMBDVZHDGKKAGA-HLPPOEQASA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCOCC1 ZINC001170789543 971827217 /nfs/dbraw/zinc/82/72/17/971827217.db2.gz GQGUDODNBVHASS-RDBSUJKOSA-N 2 1 240.391 2.018 20 0 BEADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CCC[C@H]1CN ZINC001172323262 974534263 /nfs/dbraw/zinc/53/42/63/974534263.db2.gz BPAHRCAQOGYXJF-AGIUHOORSA-N 2 1 228.380 2.003 20 0 BEADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CCC[C@H]1C[NH3+] ZINC001172323262 974534278 /nfs/dbraw/zinc/53/42/78/974534278.db2.gz BPAHRCAQOGYXJF-AGIUHOORSA-N 2 1 228.380 2.003 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CCC[C@H]1CN ZINC001172323264 974533123 /nfs/dbraw/zinc/53/31/23/974533123.db2.gz BPAHRCAQOGYXJF-AVGNSLFASA-N 2 1 228.380 2.003 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CCC[C@H]1C[NH3+] ZINC001172323264 974533137 /nfs/dbraw/zinc/53/31/37/974533137.db2.gz BPAHRCAQOGYXJF-AVGNSLFASA-N 2 1 228.380 2.003 20 0 BEADMP CC[C@@H](C)OCC[C@H](C)[N@@H+](C)CCC[NH+](C)C ZINC001172334378 974599815 /nfs/dbraw/zinc/59/98/15/974599815.db2.gz BPBPMQHVHDIOQW-UONOGXRCSA-N 2 1 244.423 2.464 20 0 BEADMP C[C@H]1CC[C@H](C[NH2+]C2Cc3ccccc3C2)[NH2+]C1 ZINC001246105055 972169158 /nfs/dbraw/zinc/16/91/58/972169158.db2.gz AOFLHXYKOYNXOX-SWLSCSKDSA-N 2 1 244.382 2.132 20 0 BEADMP C[N@H+]1CCC=C(c2ccccc2C2([NH3+])CC2)C1 ZINC001241571346 1169734618 /nfs/dbraw/zinc/73/46/18/1169734618.db2.gz YTEZVJAVWDPNOC-UHFFFAOYSA-N 2 1 228.339 2.353 20 0 BEADMP CC[C@@H]1CC[C@H]([NH2+][C@@]2(C)CCC[NH2+]C2)C1 ZINC001246182963 972208868 /nfs/dbraw/zinc/20/88/68/972208868.db2.gz CNVHZCQZZYDZKA-AGIUHOORSA-N 2 1 210.365 2.297 20 0 BEADMP CCCc1cc(NC[C@@H]2CCCC[NH2+]2)nc(C)[nH+]1 ZINC001160147902 972219036 /nfs/dbraw/zinc/21/90/36/972219036.db2.gz LVADXMOXWNWWBF-ZDUSSCGKSA-N 2 1 248.374 2.292 20 0 BEADMP CS[C@H](C)CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001208154607 957035001 /nfs/dbraw/zinc/03/50/01/957035001.db2.gz MVEPZLSYFWHMFU-OLZOCXBDSA-N 2 1 242.432 2.156 20 0 BEADMP CS[C@H](C)CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001208154607 957035014 /nfs/dbraw/zinc/03/50/14/957035014.db2.gz MVEPZLSYFWHMFU-OLZOCXBDSA-N 2 1 242.432 2.156 20 0 BEADMP CS[C@H](C)CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001208154607 957035023 /nfs/dbraw/zinc/03/50/23/957035023.db2.gz MVEPZLSYFWHMFU-OLZOCXBDSA-N 2 1 242.432 2.156 20 0 BEADMP Cl/C=C\C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000692954046 957046282 /nfs/dbraw/zinc/04/62/82/957046282.db2.gz GNOLVKQRLPFNFF-XYRDXQRHSA-N 2 1 242.794 2.451 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208612292 957099876 /nfs/dbraw/zinc/09/98/76/957099876.db2.gz MFVXODISJGBEEM-HZSPNIEDSA-N 2 1 224.392 2.306 20 0 BEADMP C[C@@H]1C[C@H](C)C[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208612292 957099890 /nfs/dbraw/zinc/09/98/90/957099890.db2.gz MFVXODISJGBEEM-HZSPNIEDSA-N 2 1 224.392 2.306 20 0 BEADMP C[C@@H]1C[C@H](C)C[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208612292 957099898 /nfs/dbraw/zinc/09/98/98/957099898.db2.gz MFVXODISJGBEEM-HZSPNIEDSA-N 2 1 224.392 2.306 20 0 BEADMP C[C@@H]1CC(C[N@H+]2CCC[C@@H]([NH3+])CC2)C[C@@H](C)O1 ZINC000724507938 957320280 /nfs/dbraw/zinc/32/02/80/957320280.db2.gz JKLWLUYTUFTJCB-YRGRVCCFSA-N 2 1 240.391 2.003 20 0 BEADMP C1[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)C12CCCCC2 ZINC001246333637 972295838 /nfs/dbraw/zinc/29/58/38/972295838.db2.gz KWAYIDNHBBCAGR-OLZOCXBDSA-N 2 1 222.376 2.441 20 0 BEADMP CCc1cc(NCCn2cc[nH+]c2C)cc[nH+]1 ZINC000307767348 958064378 /nfs/dbraw/zinc/06/43/78/958064378.db2.gz HXKCHZPDEJWMOK-UHFFFAOYSA-N 2 1 230.315 2.261 20 0 BEADMP CCCCCC[C@@H](C)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246451659 972319783 /nfs/dbraw/zinc/31/97/83/972319783.db2.gz HYSGKDMBARLKIC-CQSZACIVSA-N 3 1 243.439 2.263 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CCC2CCCC2)C[NH2+]1 ZINC000398958879 958458124 /nfs/dbraw/zinc/45/81/24/958458124.db2.gz KQAFBXPMDUVCFN-YPMHNXCESA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)C[NH2+]1 ZINC000399010951 958483913 /nfs/dbraw/zinc/48/39/13/958483913.db2.gz XQBXSDAXCNYHOM-KOLCDFICSA-N 2 1 232.318 2.294 20 0 BEADMP CCOC1CCC([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000707371536 958484646 /nfs/dbraw/zinc/48/46/46/958484646.db2.gz PAYRVMQBJHMSQR-NELGMTEASA-N 2 1 240.391 2.064 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2cccs2)C2CC2)C1 ZINC000693545572 958756994 /nfs/dbraw/zinc/75/69/94/958756994.db2.gz KGWAJDHAAZWDBP-PHIMTYICSA-N 2 1 236.384 2.450 20 0 BEADMP Cc1cc(C)[nH+]c(N[C@H](C)C[NH+](C)C)c1 ZINC000707898508 958797075 /nfs/dbraw/zinc/79/70/75/958797075.db2.gz JJTJMUDPGBULNT-LLVKDONJSA-N 2 1 207.321 2.060 20 0 BEADMP C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000693578437 958868110 /nfs/dbraw/zinc/86/81/10/958868110.db2.gz LMQQTJVSBOSEJB-MLGHIDQZSA-N 2 1 210.365 2.090 20 0 BEADMP C[C@H](Cc1ccccn1)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000707961858 958880003 /nfs/dbraw/zinc/88/00/03/958880003.db2.gz VMONDLYLFQKGSE-UKRRQHHQSA-N 2 1 247.386 2.087 20 0 BEADMP Cc1ccccc1C[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693590550 958902437 /nfs/dbraw/zinc/90/24/37/958902437.db2.gz COMSVDVIBKPMIL-XBXGTLAGSA-N 2 1 218.344 2.164 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222141448 972387846 /nfs/dbraw/zinc/38/78/46/972387846.db2.gz MJDLCTPHQVJXFB-FZKCQIBNSA-N 2 1 246.398 2.274 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222141449 972389986 /nfs/dbraw/zinc/38/99/86/972389986.db2.gz MJDLCTPHQVJXFB-JJXSEGSLSA-N 2 1 246.398 2.274 20 0 BEADMP COC(C)(C)CC[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222236883 972416719 /nfs/dbraw/zinc/41/67/19/972416719.db2.gz CMZOMXREEGATKU-AWEZNQCLSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@]1([NH3+])CC[N@@H+]([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001246531415 972440448 /nfs/dbraw/zinc/44/04/48/972440448.db2.gz QTAPJHHCVRXFHZ-GJZGRUSLSA-N 2 1 248.345 2.106 20 0 BEADMP CCCCC[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222345080 972440449 /nfs/dbraw/zinc/44/04/49/972440449.db2.gz IGNYPRGTQDEEGR-CYBMUJFWSA-N 2 1 210.365 2.395 20 0 BEADMP C[C@]1([NH3+])CC[N@H+]([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001246531415 972440453 /nfs/dbraw/zinc/44/04/53/972440453.db2.gz QTAPJHHCVRXFHZ-GJZGRUSLSA-N 2 1 248.345 2.106 20 0 BEADMP CCCCC[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222345080 972440454 /nfs/dbraw/zinc/44/04/54/972440454.db2.gz IGNYPRGTQDEEGR-CYBMUJFWSA-N 2 1 210.365 2.395 20 0 BEADMP C[C@@]1([NH3+])CC[N@@H+]([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001246531416 972440957 /nfs/dbraw/zinc/44/09/57/972440957.db2.gz QTAPJHHCVRXFHZ-HUUCEWRRSA-N 2 1 248.345 2.106 20 0 BEADMP C[C@@]1([NH3+])CC[N@H+]([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001246531416 972440959 /nfs/dbraw/zinc/44/09/59/972440959.db2.gz QTAPJHHCVRXFHZ-HUUCEWRRSA-N 2 1 248.345 2.106 20 0 BEADMP Cc1[nH+]ccn1CCNc1cc[nH+]cc1C ZINC000309177297 959698097 /nfs/dbraw/zinc/69/80/97/959698097.db2.gz DIRURJBXXLIKJE-UHFFFAOYSA-N 2 1 216.288 2.007 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222384812 972450982 /nfs/dbraw/zinc/45/09/82/972450982.db2.gz AALPXTKBUHDCHN-RDBSUJKOSA-N 2 1 222.376 2.251 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222422485 972473796 /nfs/dbraw/zinc/47/37/96/972473796.db2.gz VBLWAPXEEVNXIA-XUWVNRHRSA-N 2 1 246.398 2.417 20 0 BEADMP C[C@@H]1CC[N@@H+](CCC2CC[NH+](C)CC2)C[C@H]1F ZINC001207478995 960346042 /nfs/dbraw/zinc/34/60/42/960346042.db2.gz ADABMBJKSBUVKT-TZMCWYRMSA-N 2 1 242.382 2.398 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000695717858 960400190 /nfs/dbraw/zinc/40/01/90/960400190.db2.gz RTKWZQSVFPZDFN-XQQFMLRXSA-N 2 1 222.376 2.439 20 0 BEADMP CCC(=O)CCN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000190252710 960483865 /nfs/dbraw/zinc/48/38/65/960483865.db2.gz IUKYDPWVMSHPTJ-ZDUSSCGKSA-N 2 1 240.391 2.162 20 0 BEADMP CCC(=O)CC[N@H+](C)CC[C@@H]1CCCCN1C ZINC000190252710 960483875 /nfs/dbraw/zinc/48/38/75/960483875.db2.gz IUKYDPWVMSHPTJ-ZDUSSCGKSA-N 2 1 240.391 2.162 20 0 BEADMP CCC(=O)CC[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000190252710 960483884 /nfs/dbraw/zinc/48/38/84/960483884.db2.gz IUKYDPWVMSHPTJ-ZDUSSCGKSA-N 2 1 240.391 2.162 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222345270 960544975 /nfs/dbraw/zinc/54/49/75/960544975.db2.gz KHSIMOJMQSYODL-XUWVNRHRSA-N 2 1 246.398 2.417 20 0 BEADMP F[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140804729 960589571 /nfs/dbraw/zinc/58/95/71/960589571.db2.gz BONZJBMHSWDWGH-GAFUQQFSSA-N 2 1 245.301 2.495 20 0 BEADMP F[C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140804729 960589588 /nfs/dbraw/zinc/58/95/88/960589588.db2.gz BONZJBMHSWDWGH-GAFUQQFSSA-N 2 1 245.301 2.495 20 0 BEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccn1 ZINC000709427226 960604380 /nfs/dbraw/zinc/60/43/80/960604380.db2.gz SZEICAYYABBJFO-ACJTYDJDSA-N 2 1 231.343 2.015 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2ccncc2)CC[NH2+]1 ZINC000709467545 960614571 /nfs/dbraw/zinc/61/45/71/960614571.db2.gz UMNAQUPEGQMUFW-SNPRPXQTSA-N 2 1 245.370 2.359 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC23CCCCC3)C[NH2+]1 ZINC000399013776 961059833 /nfs/dbraw/zinc/05/98/33/961059833.db2.gz ZYMMFMHIIBYHMK-UPJWGTAASA-N 2 1 222.376 2.439 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000310169254 961162403 /nfs/dbraw/zinc/16/24/03/961162403.db2.gz OZIRMGBPYVHIBX-OOJKYFRXSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1[nH]c2ccccc2c1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000300086585 961825342 /nfs/dbraw/zinc/82/53/42/961825342.db2.gz KXWFXWVNZDYIQB-QMTHXVAHSA-N 2 1 243.354 2.255 20 0 BEADMP Cc1[nH]c2ccccc2c1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000300086585 961825347 /nfs/dbraw/zinc/82/53/47/961825347.db2.gz KXWFXWVNZDYIQB-QMTHXVAHSA-N 2 1 243.354 2.255 20 0 BEADMP [NH2+]=C(Nc1ccc2ccncc2c1)SCC[NH3+] ZINC001167915576 961848559 /nfs/dbraw/zinc/84/85/59/961848559.db2.gz URKKSFKOLFQEQJ-UHFFFAOYSA-N 2 1 246.339 2.273 20 0 BEADMP C(C1CC1)[N@@H+]1CCC2(C[NH+]([C@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC001167939350 962145927 /nfs/dbraw/zinc/14/59/27/962145927.db2.gz VCCDEQJEQGDEAZ-FICVDOATSA-N 2 1 246.398 2.203 20 0 BEADMP C(C1CC1)[N@H+]1CCC2(C[NH+]([C@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC001167939350 962145937 /nfs/dbraw/zinc/14/59/37/962145937.db2.gz VCCDEQJEQGDEAZ-FICVDOATSA-N 2 1 246.398 2.203 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000400113407 962247022 /nfs/dbraw/zinc/24/70/22/962247022.db2.gz LGGAQUFIKSPZQB-JYVUQVBGSA-N 2 1 236.403 2.354 20 0 BEADMP CC[N@@H+](C)C1CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167947630 962564603 /nfs/dbraw/zinc/56/46/03/962564603.db2.gz CKNGHVYARXIMLR-IMRBUKKESA-N 2 1 222.376 2.201 20 0 BEADMP CC(C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167958164 962823575 /nfs/dbraw/zinc/82/35/75/962823575.db2.gz CUUQGCDSXLGHSO-AGUYFDCRSA-N 2 1 222.376 2.390 20 0 BEADMP CC[N@@H+](CCNC(=[NH2+])Nc1ccccc1)C(C)C ZINC000066246544 963272700 /nfs/dbraw/zinc/27/27/00/963272700.db2.gz NKDWZONHTJNRTF-UHFFFAOYSA-N 2 1 248.374 2.144 20 0 BEADMP COc1cc[nH+]c(N[C@H]2CCCC[C@@H]2[NH+](C)C)c1 ZINC001157795757 963728042 /nfs/dbraw/zinc/72/80/42/963728042.db2.gz UZYMNTIGMDDDBD-STQMWFEESA-N 2 1 249.358 2.375 20 0 BEADMP CC(C)[NH+]1CC(Oc2ccccc2C[NH+](C)C)C1 ZINC001229699181 964165196 /nfs/dbraw/zinc/16/51/96/964165196.db2.gz KCPPRKZFUCGPAD-UHFFFAOYSA-N 2 1 248.370 2.220 20 0 BEADMP C[C@@H]1C[N@H+](C2CCC([NH+](C)C)CC2)C[C@@H]1F ZINC001168313626 964414958 /nfs/dbraw/zinc/41/49/58/964414958.db2.gz FMLBOSIFSIQSKK-XVSSEFHLSA-N 2 1 228.355 2.149 20 0 BEADMP CN(C)c1cccc(NCC[C@H]2CCC[N@H+]2C)[nH+]1 ZINC001160966689 964461560 /nfs/dbraw/zinc/46/15/60/964461560.db2.gz XFJVMVVTZPLXCH-GFCCVEGCSA-N 2 1 248.374 2.044 20 0 BEADMP Cc1cccc2c1cc[nH+]c2NC/C=C/C[NH3+] ZINC001160983201 964469098 /nfs/dbraw/zinc/46/90/98/964469098.db2.gz TZMFDMIIZOPGBR-NSCUHMNNSA-N 2 1 227.311 2.470 20 0 BEADMP C[N@@H+](CCOC(C)(C)C)C[C@H]1CCCC[NH2+]C1 ZINC000690053575 964499634 /nfs/dbraw/zinc/49/96/34/964499634.db2.gz JAVFTDMHHUYBGB-ZDUSSCGKSA-N 2 1 242.407 2.123 20 0 BEADMP COc1cccc(C[NH2+]CC[C@H](C)[NH+](C)C)c1 ZINC000697921049 964685918 /nfs/dbraw/zinc/68/59/18/964685918.db2.gz SGZXOYOGRUDQEP-LBPRGKRZSA-N 2 1 236.359 2.125 20 0 BEADMP COc1ccc(NCCCC[NH+](C)C)[nH+]c1C ZINC001161736066 964723279 /nfs/dbraw/zinc/72/32/79/964723279.db2.gz LMAYPLFFBIMRQW-UHFFFAOYSA-N 2 1 237.347 2.152 20 0 BEADMP CC1CC([N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000150049413 964728030 /nfs/dbraw/zinc/72/80/30/964728030.db2.gz PWMGAWKRXROHGD-UHFFFAOYSA-N 2 1 210.365 2.059 20 0 BEADMP CNc1ccc(NC[C@H]2CCC[NH2+]C[C@H]2C)c[nH+]1 ZINC001162457680 964984470 /nfs/dbraw/zinc/98/44/70/964984470.db2.gz QMVJHVXMLSIFDV-VXGBXAGGSA-N 2 1 248.374 2.171 20 0 BEADMP Cc1ccc(NC[C@@H]2CCC[NH2+]C[C@H]2C)[nH+]c1 ZINC001162456290 964985701 /nfs/dbraw/zinc/98/57/01/964985701.db2.gz WDAAJGWWWIMNRS-OLZOCXBDSA-N 2 1 233.359 2.438 20 0 BEADMP CC1CC(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000691945392 965120568 /nfs/dbraw/zinc/12/05/68/965120568.db2.gz WQOLOXLXSQQWAU-LJZITESISA-N 2 1 222.376 2.247 20 0 BEADMP Cc1cccnc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250992770 965194442 /nfs/dbraw/zinc/19/44/42/965194442.db2.gz PLGSIMVYMBZANR-KBPBESRZSA-N 2 1 245.370 2.106 20 0 BEADMP C[N@H+](Cc1ccccn1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699260845 965826042 /nfs/dbraw/zinc/82/60/42/965826042.db2.gz POKIFUPUDUOJIS-AGUYFDCRSA-N 2 1 245.370 2.044 20 0 BEADMP COc1cc(C)cc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205109551 965830545 /nfs/dbraw/zinc/83/05/45/965830545.db2.gz IKBHWEWYLHZSHK-AWEZNQCLSA-N 2 1 248.370 2.317 20 0 BEADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001235240940 966032907 /nfs/dbraw/zinc/03/29/07/966032907.db2.gz OEWRVDOYZRPXMF-XPABHHOTSA-N 2 1 232.371 2.012 20 0 BEADMP Cc1[nH]c2ccccc2c1C[NH+]1CC(C)(C[NH3+])C1 ZINC001206712210 966260586 /nfs/dbraw/zinc/26/05/86/966260586.db2.gz XBEFGGBFDJDPQR-UHFFFAOYSA-N 2 1 243.354 2.257 20 0 BEADMP Cc1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236313976 966360593 /nfs/dbraw/zinc/36/05/93/966360593.db2.gz COYDFHUDJFZSSY-IYBDPMFKSA-N 2 1 244.382 2.426 20 0 BEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000162334527 966618069 /nfs/dbraw/zinc/61/80/69/966618069.db2.gz YTQFOZSUKFBQCQ-XQQFMLRXSA-N 2 1 210.365 2.249 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237380698 966654238 /nfs/dbraw/zinc/65/42/38/966654238.db2.gz GUYYDCZVYCXELB-ZVDSWSACSA-N 2 1 246.398 2.273 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237380698 966654245 /nfs/dbraw/zinc/65/42/45/966654245.db2.gz GUYYDCZVYCXELB-ZVDSWSACSA-N 2 1 246.398 2.273 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]CC3(C)CCC3)[C@H]2C1 ZINC001204089349 966888434 /nfs/dbraw/zinc/88/84/34/966888434.db2.gz MGVNUHXCBGEYHC-AVGNSLFASA-N 2 1 222.376 2.106 20 0 BEADMP CC(C)[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001204128146 966897487 /nfs/dbraw/zinc/89/74/87/966897487.db2.gz IXJUVWXWBVTONI-ZOBORPQBSA-N 2 1 222.376 2.247 20 0 BEADMP COc1cc(Nc2c[nH+]c(N)c(C)c2)[nH+]cc1C ZINC001249784512 967058478 /nfs/dbraw/zinc/05/84/78/967058478.db2.gz POOARCHPJHXKBR-UHFFFAOYSA-N 2 1 244.298 2.428 20 0 BEADMP CCC[NH+](CCC)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001204611182 967104127 /nfs/dbraw/zinc/10/41/27/967104127.db2.gz CSTFKNKNNZVSGF-LBPRGKRZSA-N 2 1 228.380 2.223 20 0 BEADMP CCCC[C@@H](CC)C[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC001204748759 967144723 /nfs/dbraw/zinc/14/47/23/967144723.db2.gz SYTXQQLRBHCOHR-ZIAGYGMSSA-N 2 1 242.407 2.252 20 0 BEADMP Cc1ncccc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715569307 967182457 /nfs/dbraw/zinc/18/24/57/967182457.db2.gz AMPQIUCUJQJIKI-CABCVRRESA-N 2 1 247.386 2.352 20 0 BEADMP CC1=C[C@@H](C)[C@H](C[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)CC1 ZINC001204904333 967225728 /nfs/dbraw/zinc/22/57/28/967225728.db2.gz OTAMWQZPMWRASK-HZSPNIEDSA-N 2 1 234.387 2.402 20 0 BEADMP CC1=C[C@@H](C)[C@H](C[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)CC1 ZINC001204904333 967225737 /nfs/dbraw/zinc/22/57/37/967225737.db2.gz OTAMWQZPMWRASK-HZSPNIEDSA-N 2 1 234.387 2.402 20 0 BEADMP Cc1cccc(CC[N@@H+]2CCC[C@@](C)([NH3+])C2)c1 ZINC001204940091 967246908 /nfs/dbraw/zinc/24/69/08/967246908.db2.gz VMEMMPVAQVVCJI-OAHLLOKOSA-N 2 1 232.371 2.351 20 0 BEADMP Cc1cccc(CC[N@H+]2CCC[C@@](C)([NH3+])C2)c1 ZINC001204940091 967246915 /nfs/dbraw/zinc/24/69/15/967246915.db2.gz VMEMMPVAQVVCJI-OAHLLOKOSA-N 2 1 232.371 2.351 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@@]23C[C@@H]2CCCC3)CC1 ZINC000693596974 967272011 /nfs/dbraw/zinc/27/20/11/967272011.db2.gz DHKRGCDCLWFHAI-GXTWGEPZSA-N 2 1 222.376 2.251 20 0 BEADMP CNc1ccccc1C[N@@H+]1[C@@H](C)CC[C@H]1CN ZINC001205082732 967335450 /nfs/dbraw/zinc/33/54/50/967335450.db2.gz ITZNASBEERMFEU-AAEUAGOBSA-N 2 1 233.359 2.040 20 0 BEADMP CNc1ccccc1C[N@H+]1[C@@H](C)CC[C@H]1CN ZINC001205082732 967335464 /nfs/dbraw/zinc/33/54/64/967335464.db2.gz ITZNASBEERMFEU-AAEUAGOBSA-N 2 1 233.359 2.040 20 0 BEADMP CNc1ccccc1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205082732 967335472 /nfs/dbraw/zinc/33/54/72/967335472.db2.gz ITZNASBEERMFEU-AAEUAGOBSA-N 2 1 233.359 2.040 20 0 BEADMP CNc1ccccc1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205082732 967335484 /nfs/dbraw/zinc/33/54/84/967335484.db2.gz ITZNASBEERMFEU-AAEUAGOBSA-N 2 1 233.359 2.040 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)oc1C ZINC001205094446 967340493 /nfs/dbraw/zinc/34/04/93/967340493.db2.gz MJNQXKQQXTWRHP-GFCCVEGCSA-N 2 1 222.332 2.210 20 0 BEADMP CCOc1cccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205102608 967348608 /nfs/dbraw/zinc/34/86/08/967348608.db2.gz UKJNEMIPWOVCOR-CQSZACIVSA-N 2 1 248.370 2.399 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)CC1 ZINC001205102932 967349429 /nfs/dbraw/zinc/34/94/29/967349429.db2.gz WRKWLVGPWNHADN-HNNXBMFYSA-N 2 1 246.354 2.030 20 0 BEADMP COCc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205116623 967362722 /nfs/dbraw/zinc/36/27/22/967362722.db2.gz FBHACXZNJLKTLY-HNNXBMFYSA-N 2 1 248.370 2.146 20 0 BEADMP Cc1cc(O)cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205117947 967371757 /nfs/dbraw/zinc/37/17/57/967371757.db2.gz ZKZIMLVLYJDBFY-CYBMUJFWSA-N 2 1 234.343 2.014 20 0 BEADMP C[C@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1C[NH3+] ZINC001205130301 967375027 /nfs/dbraw/zinc/37/50/27/967375027.db2.gz BEDQJVVRHBWQNE-CMPLNLGQSA-N 2 1 246.345 2.339 20 0 BEADMP Cc1c(F)cccc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205135903 967380152 /nfs/dbraw/zinc/38/01/52/967380152.db2.gz DSPZRXVGUKUHHC-GXFFZTMASA-N 2 1 236.334 2.161 20 0 BEADMP C[C@@]1([NH3+])CCC[N@@H+](CCOc2ccccc2)CC1 ZINC001205255838 967445751 /nfs/dbraw/zinc/44/57/51/967445751.db2.gz LRVQPSSDGDHPBI-OAHLLOKOSA-N 2 1 248.370 2.269 20 0 BEADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccsc2)CC1 ZINC001205263898 967458939 /nfs/dbraw/zinc/45/89/39/967458939.db2.gz FMADWPWOLJWWNT-GFCCVEGCSA-N 2 1 224.373 2.451 20 0 BEADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc3n2CCC3)CC1 ZINC001205296123 967498503 /nfs/dbraw/zinc/49/85/03/967498503.db2.gz HLQNTFUQODTFLT-OAHLLOKOSA-N 2 1 247.386 2.138 20 0 BEADMP C[NH+](C)CCCCNc1cccn2cc[nH+]c12 ZINC001161730690 967618619 /nfs/dbraw/zinc/61/86/19/967618619.db2.gz AEKSEYVKLLJXKI-UHFFFAOYSA-N 2 1 232.331 2.088 20 0 BEADMP Nc1cccc2[nH+]cn(-c3ccc4c[nH+]cn4c3)c21 ZINC001250328518 967712275 /nfs/dbraw/zinc/71/22/75/967712275.db2.gz OFUMRVCUBNBTKH-UHFFFAOYSA-N 2 1 249.277 2.255 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)[nH]1 ZINC001205617712 967727545 /nfs/dbraw/zinc/72/75/45/967727545.db2.gz MPXODMMQUGBPDJ-RISCZKNCSA-N 2 1 249.402 2.438 20 0 BEADMP Cc1ncccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205618426 967731514 /nfs/dbraw/zinc/73/15/14/967731514.db2.gz VWFXTYUPXJKEDL-GXTWGEPZSA-N 2 1 247.386 2.197 20 0 BEADMP Cc1ccncc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205625598 967732736 /nfs/dbraw/zinc/73/27/36/967732736.db2.gz BSCDQDYIYSIQFM-UONOGXRCSA-N 2 1 247.386 2.197 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cn1 ZINC001205626318 967736792 /nfs/dbraw/zinc/73/67/92/967736792.db2.gz FQTMEXMALQDEKU-SWLSCSKDSA-N 2 1 247.386 2.197 20 0 BEADMP Cc1ccncc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205625597 967737139 /nfs/dbraw/zinc/73/71/39/967737139.db2.gz BSCDQDYIYSIQFM-KGLIPLIRSA-N 2 1 247.386 2.197 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2ccccc2N)CC[C@@H]1C[NH3+] ZINC001205653353 967744117 /nfs/dbraw/zinc/74/41/17/967744117.db2.gz SVVZKTXARLWYFJ-CHWSQXEVSA-N 2 1 247.386 2.076 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)s1 ZINC000700631481 967802736 /nfs/dbraw/zinc/80/27/36/967802736.db2.gz PFLUSYQIKIZTGN-NSHDSACASA-N 2 1 238.400 2.481 20 0 BEADMP COc1c[nH+]c(N[C@H]2CCC[C@H]([NH3+])C2)cc1C ZINC001162393146 967824850 /nfs/dbraw/zinc/82/48/50/967824850.db2.gz IWDIFNWKXRYSES-QWRGUYRKSA-N 2 1 235.331 2.080 20 0 BEADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1CCC(C)(C)C ZINC001205902202 967873429 /nfs/dbraw/zinc/87/34/29/967873429.db2.gz IPVCJWQKXORWNY-NWDGAFQWSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001205901803 967877558 /nfs/dbraw/zinc/87/75/58/967877558.db2.gz GJODZEHNHGRGSI-QKGCVVFFSA-N 2 1 234.387 2.258 20 0 BEADMP COc1cccc(CC[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205058262 967883267 /nfs/dbraw/zinc/88/32/67/967883267.db2.gz ICSGZTRUBDWBLA-JSGCOSHPSA-N 2 1 248.370 2.049 20 0 BEADMP COc1cccc(CC[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205058262 967883269 /nfs/dbraw/zinc/88/32/69/967883269.db2.gz ICSGZTRUBDWBLA-JSGCOSHPSA-N 2 1 248.370 2.049 20 0 BEADMP C[C@H]1C[N@@H+](CCC2CC2)CCC[C@@H]1C[NH3+] ZINC001205984711 967929666 /nfs/dbraw/zinc/92/96/66/967929666.db2.gz UKSSZRWVMOJZEA-WCQYABFASA-N 2 1 210.365 2.093 20 0 BEADMP Cc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC001205992543 967944078 /nfs/dbraw/zinc/94/40/78/967944078.db2.gz FFFFWJSCFQMICT-OCCSQVGLSA-N 2 1 247.386 2.197 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccc(O)cc2)CCC[C@H]1C[NH3+] ZINC001205996137 967946838 /nfs/dbraw/zinc/94/68/38/967946838.db2.gz VAGORDGSOJGFMQ-OCCSQVGLSA-N 2 1 248.370 2.199 20 0 BEADMP Cc1ccncc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206003454 967955712 /nfs/dbraw/zinc/95/57/12/967955712.db2.gz IFEYKAYUHQTXJB-KBPBESRZSA-N 2 1 247.386 2.197 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)nc1 ZINC001206003769 967960180 /nfs/dbraw/zinc/96/01/80/967960180.db2.gz MKJKRTVFOPQJDG-ZIAGYGMSSA-N 2 1 247.386 2.197 20 0 BEADMP Cc1cccc(CC[N@H+]2CC[C@@H](C)[C@H]([NH3+])C2)c1 ZINC001206036599 967995897 /nfs/dbraw/zinc/99/58/97/967995897.db2.gz LVOGEDLRNAHLLZ-UKRRQHHQSA-N 2 1 232.371 2.207 20 0 BEADMP Cc1cccc(CC[N@@H+]2CC[C@@H](C)[C@H]([NH3+])C2)c1 ZINC001206036599 967995912 /nfs/dbraw/zinc/99/59/12/967995912.db2.gz LVOGEDLRNAHLLZ-UKRRQHHQSA-N 2 1 232.371 2.207 20 0 BEADMP C[C@H](C[NH+](C)C)Nc1cc(OCC2CC2)cc[nH+]1 ZINC001163778479 968122009 /nfs/dbraw/zinc/12/20/09/968122009.db2.gz IHXHBCJRNMYDTK-LLVKDONJSA-N 2 1 249.358 2.232 20 0 BEADMP CCc1cccc(C[N@@H+]2CCC[NH2+]C[C@@H]2C)c1 ZINC001206263002 968181994 /nfs/dbraw/zinc/18/19/94/968181994.db2.gz LDTITEGKSRXVNF-ZDUSSCGKSA-N 2 1 232.371 2.433 20 0 BEADMP CCc1cccc(C[N@H+]2CCC[NH2+]C[C@@H]2C)c1 ZINC001206263002 968181997 /nfs/dbraw/zinc/18/19/97/968181997.db2.gz LDTITEGKSRXVNF-ZDUSSCGKSA-N 2 1 232.371 2.433 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206295634 968201956 /nfs/dbraw/zinc/20/19/56/968201956.db2.gz MKAHFTZPPDOLCF-UPJWGTAASA-N 2 1 210.365 2.093 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206294009 968203546 /nfs/dbraw/zinc/20/35/46/968203546.db2.gz ILAFNCJFWUWUAQ-STQMWFEESA-N 2 1 212.381 2.483 20 0 BEADMP Cc1ccnc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206304614 968210180 /nfs/dbraw/zinc/21/01/80/968210180.db2.gz NFFUGLWLJPDSBC-OAHLLOKOSA-N 2 1 247.386 2.341 20 0 BEADMP Cc1cnccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206305118 968213844 /nfs/dbraw/zinc/21/38/44/968213844.db2.gz UARUPPGOOJNRER-OAHLLOKOSA-N 2 1 247.386 2.341 20 0 BEADMP Cc1cnccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206305117 968214447 /nfs/dbraw/zinc/21/44/47/968214447.db2.gz UARUPPGOOJNRER-HNNXBMFYSA-N 2 1 247.386 2.341 20 0 BEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2N)CC1 ZINC001206326871 968233177 /nfs/dbraw/zinc/23/31/77/968233177.db2.gz PYZJPETYXHITLP-OAHLLOKOSA-N 2 1 247.386 2.220 20 0 BEADMP CC(C)(C)C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206541432 968366583 /nfs/dbraw/zinc/36/65/83/968366583.db2.gz HKXUHYUNBFACCT-ZDUSSCGKSA-N 2 1 212.381 2.483 20 0 BEADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(O)c2)C1 ZINC001206541844 968365769 /nfs/dbraw/zinc/36/57/69/968365769.db2.gz LOTMGQRYGWNKFA-OAHLLOKOSA-N 2 1 248.370 2.343 20 0 BEADMP CC[C@@H](C)C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206541872 968367284 /nfs/dbraw/zinc/36/72/84/968367284.db2.gz MHFHLFXPOHUYID-OLZOCXBDSA-N 2 1 212.381 2.483 20 0 BEADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccnc2)C1 ZINC001206541766 968368148 /nfs/dbraw/zinc/36/81/48/968368148.db2.gz JSGSHHSZLKYQKT-AWEZNQCLSA-N 2 1 233.359 2.033 20 0 BEADMP CC[C@H](C)C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206541873 968369379 /nfs/dbraw/zinc/36/93/79/968369379.db2.gz MHFHLFXPOHUYID-QWHCGFSZSA-N 2 1 212.381 2.483 20 0 BEADMP Cc1cccnc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206549804 968376125 /nfs/dbraw/zinc/37/61/25/968376125.db2.gz PYVKUEUINPXHFC-OAHLLOKOSA-N 2 1 247.386 2.341 20 0 BEADMP Cc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)nc1 ZINC001206556811 968380741 /nfs/dbraw/zinc/38/07/41/968380741.db2.gz XNAGTOUHGODZLV-HNNXBMFYSA-N 2 1 247.386 2.341 20 0 BEADMP CNc1ccc(NCC(C)(C)C[NH+](C)C)c[nH+]1 ZINC001168768606 968574516 /nfs/dbraw/zinc/57/45/16/968574516.db2.gz ZTDUCHWPFDNLNX-UHFFFAOYSA-N 2 1 236.363 2.123 20 0 BEADMP CCCC[C@H](O)C[NH2+]CCC[N@@H+](C)CCCC ZINC001252108953 968591991 /nfs/dbraw/zinc/59/19/91/968591991.db2.gz UDUQUVIKASKVDV-AWEZNQCLSA-N 2 1 244.423 2.249 20 0 BEADMP Cc1cncc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC001207157108 968664996 /nfs/dbraw/zinc/66/49/96/968664996.db2.gz VSIOXOKEIBRPLI-UHFFFAOYSA-N 2 1 247.386 2.164 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@H+]1CCCOC(C)(C)C1 ZINC001207287139 968716540 /nfs/dbraw/zinc/71/65/40/968716540.db2.gz YEUNGRYBRGBPIS-UHFFFAOYSA-N 2 1 242.407 2.075 20 0 BEADMP CC1(C)C[N@@H+](CC2CC[NH2+]CC2)CCC1(F)F ZINC001207435501 968770475 /nfs/dbraw/zinc/77/04/75/968770475.db2.gz IKUSBAHMRZZCKM-UHFFFAOYSA-N 2 1 246.345 2.353 20 0 BEADMP C[C@H]1CCC[N@@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207480264 968798553 /nfs/dbraw/zinc/79/85/53/968798553.db2.gz YZJATPZNKHXYRM-ZDUSSCGKSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001207487493 968802209 /nfs/dbraw/zinc/80/22/09/968802209.db2.gz LDTNLCDWAIPOJY-KGLIPLIRSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000829276004 968828583 /nfs/dbraw/zinc/82/85/83/968828583.db2.gz RLPKSISKKRXXLQ-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP CCCc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)nc(C)[nH+]1 ZINC001154986015 968839746 /nfs/dbraw/zinc/83/97/46/968839746.db2.gz QEVSHZMDBASBEO-DGCLKSJQSA-N 2 1 248.374 2.419 20 0 BEADMP CCCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001207836123 968895168 /nfs/dbraw/zinc/89/51/68/968895168.db2.gz GUTOINZQDWKYHI-XDQVBPFNSA-N 2 1 224.392 2.495 20 0 BEADMP CCCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001207836117 968896625 /nfs/dbraw/zinc/89/66/25/968896625.db2.gz GUTOINZQDWKYHI-IGQOVBAYSA-N 2 1 224.392 2.495 20 0 BEADMP C[N@@H+]1CC=C(c2nccc3[nH]ccc32)CC1 ZINC001241307343 968970150 /nfs/dbraw/zinc/97/01/50/968970150.db2.gz FDPXPEBVOXQHBJ-UHFFFAOYSA-N 2 1 213.284 2.282 20 0 BEADMP C[NH+]1CCC(C)(C[N@H+]2CCC(C)(C)C2)CC1 ZINC001208106946 968999907 /nfs/dbraw/zinc/99/99/07/968999907.db2.gz MAZYGIZEJSWYJB-UHFFFAOYSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH+]1CCC(C)(C[N@@H+]2C[C@@H](F)C[C@H]2CF)CC1 ZINC001208106914 969000411 /nfs/dbraw/zinc/00/04/11/969000411.db2.gz HEFUKZHYBPGHKJ-RYUDHWBXSA-N 2 1 246.345 2.100 20 0 BEADMP C[NH+]1CCC(C)(C[N@H+]2C[C@@H](F)C[C@H]2CF)CC1 ZINC001208106914 969000421 /nfs/dbraw/zinc/00/04/21/969000421.db2.gz HEFUKZHYBPGHKJ-RYUDHWBXSA-N 2 1 246.345 2.100 20 0 BEADMP C[N@H+]1CCC=C(c2ccc3c(c2)C[NH2+]CC3)C1 ZINC001241569476 969063605 /nfs/dbraw/zinc/06/36/05/969063605.db2.gz BAGTVSIJLABLHD-UHFFFAOYSA-N 2 1 228.339 2.051 20 0 BEADMP CS[C@H](C)CC[NH+]1CCC([NH+]2CCC2)CC1 ZINC001208153121 969079628 /nfs/dbraw/zinc/07/96/28/969079628.db2.gz XMXPYVOSYJAGIH-GFCCVEGCSA-N 2 1 242.432 2.298 20 0 BEADMP CS[C@@H](C)CC[NH+]1CCC([NH+]2CCC2)CC1 ZINC001208153122 969081384 /nfs/dbraw/zinc/08/13/84/969081384.db2.gz XMXPYVOSYJAGIH-LBPRGKRZSA-N 2 1 242.432 2.298 20 0 BEADMP CC[NH+]1CCC(C[N@@H+](C)Cc2ccncc2)CC1 ZINC001208592427 969149019 /nfs/dbraw/zinc/14/90/19/969149019.db2.gz HNGDVTLVMPWBNI-UHFFFAOYSA-N 2 1 247.386 2.245 20 0 BEADMP CC[NH+]1CCC(C[N@@H+](C)Cc2cccnc2)CC1 ZINC001208594333 969150378 /nfs/dbraw/zinc/15/03/78/969150378.db2.gz NGWCWBSCFXOJQD-UHFFFAOYSA-N 2 1 247.386 2.245 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](CF)C2)CC1 ZINC001208597985 969151160 /nfs/dbraw/zinc/15/11/60/969151160.db2.gz ORVWBQWFEVEDCU-CQSZACIVSA-N 2 1 242.382 2.400 20 0 BEADMP CC[NH+]1CCC(C[N@@H+]2Cc3ccncc3C2)CC1 ZINC001208597751 969151572 /nfs/dbraw/zinc/15/15/72/969151572.db2.gz NBEWPAKKXSYMHJ-UHFFFAOYSA-N 2 1 245.370 2.129 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2Cc3ccncc3C2)CC1 ZINC001208597751 969151577 /nfs/dbraw/zinc/15/15/77/969151577.db2.gz NBEWPAKKXSYMHJ-UHFFFAOYSA-N 2 1 245.370 2.129 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](F)C[C@H]2C)CC1 ZINC001208593647 969152632 /nfs/dbraw/zinc/15/26/32/969152632.db2.gz YJWYQNISPVNDSU-YPMHNXCESA-N 2 1 228.355 2.151 20 0 BEADMP CC/C=C\CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001208725159 969208759 /nfs/dbraw/zinc/20/87/59/969208759.db2.gz KYJHBWWFTUWGCE-WAYWQWQTSA-N 2 1 210.365 2.369 20 0 BEADMP CC/C=C\CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001208725159 969208766 /nfs/dbraw/zinc/20/87/66/969208766.db2.gz KYJHBWWFTUWGCE-WAYWQWQTSA-N 2 1 210.365 2.369 20 0 BEADMP Cc1cc[nH+]c(C)c1N(CC[NH3+])c1cccnc1 ZINC001168837250 969230391 /nfs/dbraw/zinc/23/03/91/969230391.db2.gz XPBVQMSVCUOPRY-UHFFFAOYSA-N 2 1 242.326 2.190 20 0 BEADMP Cc1cccc2[nH+]cc(NC3=CC[N@H+](C)CC3)n21 ZINC001208802409 969243685 /nfs/dbraw/zinc/24/36/85/969243685.db2.gz LCVUDTHMJQXEAH-UHFFFAOYSA-N 2 1 242.326 2.274 20 0 BEADMP Cc1cccc2[nH+]cc(NC3=CC[N@@H+](C)CC3)n21 ZINC001208802409 969243692 /nfs/dbraw/zinc/24/36/92/969243692.db2.gz LCVUDTHMJQXEAH-UHFFFAOYSA-N 2 1 242.326 2.274 20 0 BEADMP COc1cc(NC2=CC[N@H+](C)CC2)[nH+]cc1C ZINC001208803113 969246192 /nfs/dbraw/zinc/24/61/92/969246192.db2.gz UHJNPUZAPCDDLV-UHFFFAOYSA-N 2 1 233.315 2.030 20 0 BEADMP COc1cc(NC2=CC[N@@H+](C)CC2)[nH+]cc1C ZINC001208803113 969246200 /nfs/dbraw/zinc/24/62/00/969246200.db2.gz UHJNPUZAPCDDLV-UHFFFAOYSA-N 2 1 233.315 2.030 20 0 BEADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCC3)C2)cc1 ZINC001208947516 969313441 /nfs/dbraw/zinc/31/34/41/969313441.db2.gz LMYGICLKKTUERM-OAHLLOKOSA-N 2 1 230.355 2.214 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCC1CCC1)C2 ZINC001169097924 969391957 /nfs/dbraw/zinc/39/19/57/969391957.db2.gz FIRHYKYNRFTWBU-BTTYYORXSA-N 2 1 222.376 2.391 20 0 BEADMP Cc1occc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169102283 969399023 /nfs/dbraw/zinc/39/90/23/969399023.db2.gz YXXHJTKDAIQALF-BTTYYORXSA-N 2 1 234.343 2.303 20 0 BEADMP Cc1occc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169102283 969399032 /nfs/dbraw/zinc/39/90/32/969399032.db2.gz YXXHJTKDAIQALF-BTTYYORXSA-N 2 1 234.343 2.303 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccsc1)C2 ZINC001169082464 969401466 /nfs/dbraw/zinc/40/14/66/969401466.db2.gz ZQCWTDUNWNSGFL-XYYAHUGASA-N 2 1 236.384 2.463 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccsc1)C2 ZINC001169082464 969401471 /nfs/dbraw/zinc/40/14/71/969401471.db2.gz ZQCWTDUNWNSGFL-XYYAHUGASA-N 2 1 236.384 2.463 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CCC1)C2 ZINC001169081563 969401914 /nfs/dbraw/zinc/40/19/14/969401914.db2.gz SZBPMKDWNNTZAS-XYYAHUGASA-N 2 1 208.349 2.001 20 0 BEADMP C[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169082288 969403179 /nfs/dbraw/zinc/40/31/79/969403179.db2.gz YOQHIUQNLZTACV-PDWCTOEPSA-N 2 1 222.376 2.390 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(C)CC1)C2 ZINC001169082492 969404061 /nfs/dbraw/zinc/40/40/61/969404061.db2.gz ZWCNCHRPBRGSIY-ZSBIGDGJSA-N 2 1 208.349 2.001 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)C2 ZINC001169081317 969405063 /nfs/dbraw/zinc/40/50/63/969405063.db2.gz QVRLKSPZVIHRDH-XVIXHAIJSA-N 2 1 240.366 2.482 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Nc1cccc(C[NH3+])c1)C2 ZINC001169090905 969408512 /nfs/dbraw/zinc/40/85/12/969408512.db2.gz NQMTTWHUSWMRIE-QKDCVEJESA-N 2 1 245.370 2.182 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Nc1cccc(C[NH3+])c1)C2 ZINC001169090904 969409849 /nfs/dbraw/zinc/40/98/49/969409849.db2.gz NQMTTWHUSWMRIE-QDMKHBRRSA-N 2 1 245.370 2.182 20 0 BEADMP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H]1F ZINC001169124316 969421561 /nfs/dbraw/zinc/42/15/61/969421561.db2.gz CABNHTQWGRCVKF-PEBLQZBPSA-N 2 1 240.366 2.292 20 0 BEADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H]1F ZINC001169124316 969421564 /nfs/dbraw/zinc/42/15/64/969421564.db2.gz CABNHTQWGRCVKF-PEBLQZBPSA-N 2 1 240.366 2.292 20 0 BEADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H]1F ZINC001169124316 969421567 /nfs/dbraw/zinc/42/15/67/969421567.db2.gz CABNHTQWGRCVKF-PEBLQZBPSA-N 2 1 240.366 2.292 20 0 BEADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1F ZINC001169124316 969421577 /nfs/dbraw/zinc/42/15/77/969421577.db2.gz CABNHTQWGRCVKF-PEBLQZBPSA-N 2 1 240.366 2.292 20 0 BEADMP C[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169123419 969422018 /nfs/dbraw/zinc/42/20/18/969422018.db2.gz LGOKUHAUQIJXDM-FQUUOJAGSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169123419 969422026 /nfs/dbraw/zinc/42/20/26/969422026.db2.gz LGOKUHAUQIJXDM-FQUUOJAGSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169123419 969422031 /nfs/dbraw/zinc/42/20/31/969422031.db2.gz LGOKUHAUQIJXDM-FQUUOJAGSA-N 2 1 222.376 2.344 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H](F)CC1)C2 ZINC001169124919 969426716 /nfs/dbraw/zinc/42/67/16/969426716.db2.gz HDTROSXKIQMMOY-FQUUOJAGSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H](F)CC1)C2 ZINC001169124919 969426719 /nfs/dbraw/zinc/42/67/19/969426719.db2.gz HDTROSXKIQMMOY-FQUUOJAGSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H](F)CC1)C2 ZINC001169124919 969426723 /nfs/dbraw/zinc/42/67/23/969426723.db2.gz HDTROSXKIQMMOY-FQUUOJAGSA-N 2 1 240.366 2.436 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC1(C)C)C2 ZINC001169126994 969430236 /nfs/dbraw/zinc/43/02/36/969430236.db2.gz ZFKZMPPJCHVPFQ-ITGUQSILSA-N 2 1 222.376 2.486 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC1(C)C)C2 ZINC001169126994 969430242 /nfs/dbraw/zinc/43/02/42/969430242.db2.gz ZFKZMPPJCHVPFQ-ITGUQSILSA-N 2 1 222.376 2.486 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC1(C)C)C2 ZINC001169126994 969430246 /nfs/dbraw/zinc/43/02/46/969430246.db2.gz ZFKZMPPJCHVPFQ-ITGUQSILSA-N 2 1 222.376 2.486 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC1(C)C)C2 ZINC001169126994 969430251 /nfs/dbraw/zinc/43/02/51/969430251.db2.gz ZFKZMPPJCHVPFQ-ITGUQSILSA-N 2 1 222.376 2.486 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1C=CCCC1)C2 ZINC001169115282 969453024 /nfs/dbraw/zinc/45/30/24/969453024.db2.gz ICHMIQQWVOQYMS-XDQVBPFNSA-N 2 1 220.360 2.310 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CCC3)C1)C2 ZINC001169146441 969465819 /nfs/dbraw/zinc/46/58/19/969465819.db2.gz PPFQJBLAOFVQOQ-BTTYYORXSA-N 2 1 234.387 2.488 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC3(CCC3)C1)C2 ZINC001169146441 969465829 /nfs/dbraw/zinc/46/58/29/969465829.db2.gz PPFQJBLAOFVQOQ-BTTYYORXSA-N 2 1 234.387 2.488 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC3(CCC3)C1)C2 ZINC001169146441 969465841 /nfs/dbraw/zinc/46/58/41/969465841.db2.gz PPFQJBLAOFVQOQ-BTTYYORXSA-N 2 1 234.387 2.488 20 0 BEADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C2(CC2)C1 ZINC001169156737 969474400 /nfs/dbraw/zinc/47/44/00/969474400.db2.gz ZUAXHPHTVAAKBY-IGQOVBAYSA-N 2 1 234.387 2.486 20 0 BEADMP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C2(CC2)C1 ZINC001169156737 969474402 /nfs/dbraw/zinc/47/44/02/969474402.db2.gz ZUAXHPHTVAAKBY-IGQOVBAYSA-N 2 1 234.387 2.486 20 0 BEADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2(CC2)C1 ZINC001169156737 969474404 /nfs/dbraw/zinc/47/44/04/969474404.db2.gz ZUAXHPHTVAAKBY-IGQOVBAYSA-N 2 1 234.387 2.486 20 0 BEADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2(CC2)C1 ZINC001169156737 969474406 /nfs/dbraw/zinc/47/44/06/969474406.db2.gz ZUAXHPHTVAAKBY-IGQOVBAYSA-N 2 1 234.387 2.486 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1CF)C2 ZINC001169163061 969478723 /nfs/dbraw/zinc/47/87/23/969478723.db2.gz XRDVMNVRCWLREO-XQHKEYJVSA-N 2 1 226.339 2.046 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1CF)C2 ZINC001169163061 969478730 /nfs/dbraw/zinc/47/87/30/969478730.db2.gz XRDVMNVRCWLREO-XQHKEYJVSA-N 2 1 226.339 2.046 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]1CF)C2 ZINC001169163061 969478733 /nfs/dbraw/zinc/47/87/33/969478733.db2.gz XRDVMNVRCWLREO-XQHKEYJVSA-N 2 1 226.339 2.046 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]1CF)C2 ZINC001169163061 969478737 /nfs/dbraw/zinc/47/87/37/969478737.db2.gz XRDVMNVRCWLREO-XQHKEYJVSA-N 2 1 226.339 2.046 20 0 BEADMP CC[NH+]1CCC([NH2+]C(C)(C)c2cccnc2)CC1 ZINC001169220322 969486606 /nfs/dbraw/zinc/48/66/06/969486606.db2.gz LWVFHIIYTOZBNP-UHFFFAOYSA-N 2 1 247.386 2.391 20 0 BEADMP CC[NH+]1CCC([N@@H+]2CCC3(CCC3)C2)CC1 ZINC001169263918 969517211 /nfs/dbraw/zinc/51/72/11/969517211.db2.gz CQRSZDCBXZUDIL-UHFFFAOYSA-N 2 1 222.376 2.347 20 0 BEADMP CC[NH+]1CCC([N@H+]2CCC3(CCC3)C2)CC1 ZINC001169263918 969517216 /nfs/dbraw/zinc/51/72/16/969517216.db2.gz CQRSZDCBXZUDIL-UHFFFAOYSA-N 2 1 222.376 2.347 20 0 BEADMP CC[NH+]1CCC([N@H+](C)C2CC(C)C2)CC1 ZINC001169245650 969534558 /nfs/dbraw/zinc/53/45/58/969534558.db2.gz HAOJRBUZAIUSHT-UHFFFAOYSA-N 2 1 210.365 2.201 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)C2CC(C)C2)CC1 ZINC001169245650 969534566 /nfs/dbraw/zinc/53/45/66/969534566.db2.gz HAOJRBUZAIUSHT-UHFFFAOYSA-N 2 1 210.365 2.201 20 0 BEADMP CC[NH+]1CCC([N@@H+]2CCC[C@H](C(F)F)C2)CC1 ZINC001169259036 969547060 /nfs/dbraw/zinc/54/70/60/969547060.db2.gz ZIFZXVRKLJUVOA-NSHDSACASA-N 2 1 246.345 2.448 20 0 BEADMP CC[NH+]1CCC([N@H+]2CCC[C@H](C(F)F)C2)CC1 ZINC001169259036 969547065 /nfs/dbraw/zinc/54/70/65/969547065.db2.gz ZIFZXVRKLJUVOA-NSHDSACASA-N 2 1 246.345 2.448 20 0 BEADMP CCC1CC[NH+](Cc2c[nH+]ccc2N)CC1 ZINC001209727986 969581224 /nfs/dbraw/zinc/58/12/24/969581224.db2.gz BFUPMOMAAXLBIV-UHFFFAOYSA-N 2 1 219.332 2.116 20 0 BEADMP Nc1cc[nH+]cc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC001209729661 969589833 /nfs/dbraw/zinc/58/98/33/969589833.db2.gz QNPVHIKAIMDTJL-RYUDHWBXSA-N 2 1 231.343 2.116 20 0 BEADMP [NH3+]CCC[C@@H]1CCCC[N@H+]([C@H]2CCCOC2)C1 ZINC001254376266 969590682 /nfs/dbraw/zinc/59/06/82/969590682.db2.gz WSHQLFDGDASRQL-KBPBESRZSA-N 2 1 240.391 2.006 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCC[C@H]2F)CC1 ZINC001254497033 969658560 /nfs/dbraw/zinc/65/85/60/969658560.db2.gz FGIFIPQXYSVTRR-YNEHKIRRSA-N 2 1 228.355 2.199 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+]C(C)(C)C2CC2)CC1 ZINC001254497000 969663476 /nfs/dbraw/zinc/66/34/76/969663476.db2.gz CVHXUKMSVAOFCL-GFCCVEGCSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccc(N)cc1 ZINC001254506811 969671170 /nfs/dbraw/zinc/67/11/70/969671170.db2.gz ATXGNMISESYXHR-IUODEOHRSA-N 2 1 247.386 2.404 20 0 BEADMP CCC1([NH2+][C@@H]2CCC[N@@H+](C)CC2)CCC1 ZINC001254510898 969677604 /nfs/dbraw/zinc/67/76/04/969677604.db2.gz RCOZCGMIGQORBI-GFCCVEGCSA-N 2 1 210.365 2.393 20 0 BEADMP C[N@@H+]1CCC[C@H]([NH+]2CCC[C@@](C)(F)C2)CC1 ZINC001254516154 969686765 /nfs/dbraw/zinc/68/67/65/969686765.db2.gz JGJREURBUPRARP-QWHCGFSZSA-N 2 1 228.355 2.295 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@](C)(F)C2)CC1 ZINC001254516154 969686772 /nfs/dbraw/zinc/68/67/72/969686772.db2.gz JGJREURBUPRARP-QWHCGFSZSA-N 2 1 228.355 2.295 20 0 BEADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@](C)(F)C2)CC1 ZINC001254516154 969686778 /nfs/dbraw/zinc/68/67/78/969686778.db2.gz JGJREURBUPRARP-QWHCGFSZSA-N 2 1 228.355 2.295 20 0 BEADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@](C)(F)C2)CC1 ZINC001254516154 969686784 /nfs/dbraw/zinc/68/67/84/969686784.db2.gz JGJREURBUPRARP-QWHCGFSZSA-N 2 1 228.355 2.295 20 0 BEADMP CC[C@H]1CCC[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254522078 969698638 /nfs/dbraw/zinc/69/86/38/969698638.db2.gz BMSUZWITJLCNIM-STQMWFEESA-N 2 1 210.365 2.345 20 0 BEADMP CSC1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254522485 969709188 /nfs/dbraw/zinc/70/91/88/969709188.db2.gz GTFDACRWZJKWTJ-GFCCVEGCSA-N 2 1 242.432 2.298 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001254524473 969710359 /nfs/dbraw/zinc/71/03/59/969710359.db2.gz CDHOCYGJUHNHRA-RWMBFGLXSA-N 2 1 222.376 2.059 20 0 BEADMP C[NH+]1CCC[C@H]([N@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001254524473 969710364 /nfs/dbraw/zinc/71/03/64/969710364.db2.gz CDHOCYGJUHNHRA-RWMBFGLXSA-N 2 1 222.376 2.059 20 0 BEADMP C[NH+]1CCC[C@H]([N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001254524473 969710370 /nfs/dbraw/zinc/71/03/70/969710370.db2.gz CDHOCYGJUHNHRA-RWMBFGLXSA-N 2 1 222.376 2.059 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2CCC3(CCC3)C2)CC1 ZINC001254525191 969717145 /nfs/dbraw/zinc/71/71/45/969717145.db2.gz HFLALUBRHCSESU-ZDUSSCGKSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC[C@H]([N@@H+]2CCC3(CCC3)C2)CC1 ZINC001254525191 969717161 /nfs/dbraw/zinc/71/71/61/969717161.db2.gz HFLALUBRHCSESU-ZDUSSCGKSA-N 2 1 222.376 2.347 20 0 BEADMP C[N@@H+]1CCC[C@@H]([NH+]2CC3CCC2CC3)CC1 ZINC001254526622 969718745 /nfs/dbraw/zinc/71/87/45/969718745.db2.gz RYSXSOZWPDQKSG-ROKHWSDSSA-N 2 1 222.376 2.345 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2CC3CCC2CC3)CC1 ZINC001254526622 969718749 /nfs/dbraw/zinc/71/87/49/969718749.db2.gz RYSXSOZWPDQKSG-ROKHWSDSSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@@H]([N@@H+]2CC3CCC2CC3)CC1 ZINC001254526622 969718756 /nfs/dbraw/zinc/71/87/56/969718756.db2.gz RYSXSOZWPDQKSG-ROKHWSDSSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@@H]([N@H+]2CC3CCC2CC3)CC1 ZINC001254526622 969718760 /nfs/dbraw/zinc/71/87/60/969718760.db2.gz RYSXSOZWPDQKSG-ROKHWSDSSA-N 2 1 222.376 2.345 20 0 BEADMP C[N@@H+](CCC1CC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254530568 969726605 /nfs/dbraw/zinc/72/66/05/969726605.db2.gz YSAYPVWCOHNUFA-CYBMUJFWSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+](CCC1CC1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254530568 969726611 /nfs/dbraw/zinc/72/66/11/969726611.db2.gz YSAYPVWCOHNUFA-CYBMUJFWSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+](CCC1CC1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254530568 969726622 /nfs/dbraw/zinc/72/66/22/969726622.db2.gz YSAYPVWCOHNUFA-CYBMUJFWSA-N 2 1 210.365 2.203 20 0 BEADMP c1cc2cc[nH+]c(NCC[C@H]3CCC[NH2+]3)c2[nH]1 ZINC001169567708 969765292 /nfs/dbraw/zinc/76/52/92/969765292.db2.gz PFNSOGAERRALGP-LLVKDONJSA-N 2 1 230.315 2.117 20 0 BEADMP Fc1cc2[nH]c[nH+]c2cc1NCC[C@H]1CCC[NH2+]1 ZINC001169569663 969765918 /nfs/dbraw/zinc/76/59/18/969765918.db2.gz RJCBCIJRLXKXBW-SECBINFHSA-N 2 1 248.305 2.256 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CC[NH2+][C@H](C)CC1 ZINC001210476639 969899568 /nfs/dbraw/zinc/89/95/68/969899568.db2.gz WLVHUKFEHXARLY-CQSZACIVSA-N 2 1 232.371 2.487 20 0 BEADMP C[C@H]1CC[N@H+](Cc2cccc3c2CCC3)CC[NH2+]1 ZINC001210519940 969925912 /nfs/dbraw/zinc/92/59/12/969925912.db2.gz VEKSNJYQOKPKML-ZDUSSCGKSA-N 2 1 244.382 2.359 20 0 BEADMP C[C@H]1CC[N@@H+](Cc2cccc3c2CCC3)CC[NH2+]1 ZINC001210519940 969925915 /nfs/dbraw/zinc/92/59/15/969925915.db2.gz VEKSNJYQOKPKML-ZDUSSCGKSA-N 2 1 244.382 2.359 20 0 BEADMP Cc1cn2c(cccc2Nc2cncn2C)n1 ZINC001211246190 970189554 /nfs/dbraw/zinc/18/95/54/970189554.db2.gz YPNJSPOMEMSDAA-UHFFFAOYSA-N 2 1 227.271 2.120 20 0 BEADMP C[N@H+]1CCC[C@H](n2cc(C[NH3+])c3ccccc32)C1 ZINC001255468900 970195242 /nfs/dbraw/zinc/19/52/42/970195242.db2.gz ZDSGLBCGHHPTLV-ZDUSSCGKSA-N 2 1 243.354 2.367 20 0 BEADMP C[N@H+]1CCC[C@@H](n2ccc3ccc(C[NH3+])cc32)C1 ZINC001255470713 970197168 /nfs/dbraw/zinc/19/71/68/970197168.db2.gz OXFNCMLGWJMFGJ-CQSZACIVSA-N 2 1 243.354 2.367 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001170098022 970266404 /nfs/dbraw/zinc/26/64/04/970266404.db2.gz JSPHJAIIQVNIML-VJTDZRGJSA-N 2 1 222.376 2.390 20 0 BEADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CC[C@H](C)C1 ZINC001170098444 970276103 /nfs/dbraw/zinc/27/61/03/970276103.db2.gz RVPNLULJLGRCLN-GXSJLCMTSA-N 2 1 207.321 2.054 20 0 BEADMP [NH3+]CC1([NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC001255513607 970277567 /nfs/dbraw/zinc/27/75/67/970277567.db2.gz PUMQYOWPVDTWMS-UHFFFAOYSA-N 2 1 236.281 2.188 20 0 BEADMP C[C@@H]1C[N@@H+](CCC2CCCC2)CC[C@@H]1C[NH3+] ZINC000300719220 970297871 /nfs/dbraw/zinc/29/78/71/970297871.db2.gz AUMLOZMBKJYSCR-TZMCWYRMSA-N 2 1 224.392 2.483 20 0 BEADMP CC[N@H+]1CCc2cc(C3=CC[NH2+]C3)ccc2C1 ZINC001243107984 970340529 /nfs/dbraw/zinc/34/05/29/970340529.db2.gz ASFDPOSBKUXGHE-UHFFFAOYSA-N 2 1 228.339 2.051 20 0 BEADMP C[C@@H]([NH3+])c1ccn(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001255668892 970448473 /nfs/dbraw/zinc/44/84/73/970448473.db2.gz OUWSTKBOCHXQDI-FKJOKYEKSA-N 2 1 248.374 2.091 20 0 BEADMP C[C@H]1CCC[N@@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255673905 970450087 /nfs/dbraw/zinc/45/00/87/970450087.db2.gz HHUOXMQZZGKFEF-ICIURTGMSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@H]1CCC[N@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255673905 970450090 /nfs/dbraw/zinc/45/00/90/970450090.db2.gz HHUOXMQZZGKFEF-ICIURTGMSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@H]1CCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255673905 970450092 /nfs/dbraw/zinc/45/00/92/970450092.db2.gz HHUOXMQZZGKFEF-ICIURTGMSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@H]1CCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255673905 970450095 /nfs/dbraw/zinc/45/00/95/970450095.db2.gz HHUOXMQZZGKFEF-ICIURTGMSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@@H]1C[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@@H]1F ZINC001255673855 970452662 /nfs/dbraw/zinc/45/26/62/970452662.db2.gz GMUVBRSUCUXINJ-YIPFDTCYSA-N 2 1 240.366 2.292 20 0 BEADMP C[C@@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1F ZINC001255673855 970452671 /nfs/dbraw/zinc/45/26/71/970452671.db2.gz GMUVBRSUCUXINJ-YIPFDTCYSA-N 2 1 240.366 2.292 20 0 BEADMP C[C@@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1F ZINC001255673855 970452678 /nfs/dbraw/zinc/45/26/78/970452678.db2.gz GMUVBRSUCUXINJ-YIPFDTCYSA-N 2 1 240.366 2.292 20 0 BEADMP [NH3+]CC1([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001255700171 970457354 /nfs/dbraw/zinc/45/73/54/970457354.db2.gz KBSPUKLOZIFONN-BDAKNGLRSA-N 2 1 236.281 2.188 20 0 BEADMP Cc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001255773955 970478353 /nfs/dbraw/zinc/47/83/53/970478353.db2.gz SHSVAGDAKJAAGA-GDBMZVCRSA-N 2 1 246.398 2.467 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2CC3CCC2CC3)CC[C@H]1[NH3+] ZINC000400098109 970549045 /nfs/dbraw/zinc/54/90/45/970549045.db2.gz FFSDZUGPNASAHM-BZTHDZJNSA-N 2 1 236.403 2.482 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC3CCC2CC3)CC[C@@H]1[NH3+] ZINC000400098116 970551689 /nfs/dbraw/zinc/55/16/89/970551689.db2.gz FFSDZUGPNASAHM-UWMJVVDFSA-N 2 1 236.403 2.482 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000400113418 970552986 /nfs/dbraw/zinc/55/29/86/970552986.db2.gz LGGAQUFIKSPZQB-SHWKFHJASA-N 2 1 236.403 2.354 20 0 BEADMP C[NH2+][C@H]1CC[N@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000400138108 970554933 /nfs/dbraw/zinc/55/49/33/970554933.db2.gz YUCYAQHPUGPFSG-PQAZSJQKSA-N 2 1 222.376 2.106 20 0 BEADMP C[NH2+][C@H]1CC[N@@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000400138108 970554937 /nfs/dbraw/zinc/55/49/37/970554937.db2.gz YUCYAQHPUGPFSG-PQAZSJQKSA-N 2 1 222.376 2.106 20 0 BEADMP C[NH2+][C@@H]1CC[N@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000400138106 970556528 /nfs/dbraw/zinc/55/65/28/970556528.db2.gz YUCYAQHPUGPFSG-NWINJMCUSA-N 2 1 222.376 2.106 20 0 BEADMP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000400138106 970556533 /nfs/dbraw/zinc/55/65/33/970556533.db2.gz YUCYAQHPUGPFSG-NWINJMCUSA-N 2 1 222.376 2.106 20 0 BEADMP CC[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)CCO1 ZINC001170171745 970563445 /nfs/dbraw/zinc/56/34/45/970563445.db2.gz UDTRZWWFLCSWJE-MELADBBJSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@H]1CCO[C@H](CC)C1 ZINC001170172492 970567365 /nfs/dbraw/zinc/56/73/65/970567365.db2.gz ZQBJNKWRRPRBPD-QWHCGFSZSA-N 2 1 228.380 2.005 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCOC[C@H](C)C1 ZINC001255956737 970587042 /nfs/dbraw/zinc/58/70/42/970587042.db2.gz LVSYCTOZMADNKP-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCOC[C@H](C)C1 ZINC001255956737 970587047 /nfs/dbraw/zinc/58/70/47/970587047.db2.gz LVSYCTOZMADNKP-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP COc1cccc(C[C@H](C)[N@@H+]2CCC[C@H]2CN)c1 ZINC001256149508 970672799 /nfs/dbraw/zinc/67/27/99/970672799.db2.gz OXXCMJUCQIUHJM-JSGCOSHPSA-N 2 1 248.370 2.049 20 0 BEADMP COc1cccc(C[C@H](C)[N@H+]2CCC[C@H]2CN)c1 ZINC001256149508 970672808 /nfs/dbraw/zinc/67/28/08/970672808.db2.gz OXXCMJUCQIUHJM-JSGCOSHPSA-N 2 1 248.370 2.049 20 0 BEADMP COc1cccc(C[C@H](C)[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC001256149508 970672816 /nfs/dbraw/zinc/67/28/16/970672816.db2.gz OXXCMJUCQIUHJM-JSGCOSHPSA-N 2 1 248.370 2.049 20 0 BEADMP COc1cccc(C[C@H](C)[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC001256149508 970672823 /nfs/dbraw/zinc/67/28/23/970672823.db2.gz OXXCMJUCQIUHJM-JSGCOSHPSA-N 2 1 248.370 2.049 20 0 BEADMP C[C@H](C[NH2+]C1CC[NH+](C)CC1)c1ccc(O)cc1 ZINC001256197982 970688871 /nfs/dbraw/zinc/68/88/71/970688871.db2.gz WYHTYRPGMRVZJY-GFCCVEGCSA-N 2 1 248.370 2.180 20 0 BEADMP C[C@@H](C[NH2+]C1CC[NH+](C)CC1)c1ccc(O)cc1 ZINC001256197984 970691202 /nfs/dbraw/zinc/69/12/02/970691202.db2.gz WYHTYRPGMRVZJY-LBPRGKRZSA-N 2 1 248.370 2.180 20 0 BEADMP Cc1cc2c(cn1)[C@@H]([NH2+]C1CC[NH+](C)CC1)CC2 ZINC001256198742 970695726 /nfs/dbraw/zinc/69/57/26/970695726.db2.gz STHVFAVIZFCRLN-HNNXBMFYSA-N 2 1 245.370 2.061 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246542834 972583665 /nfs/dbraw/zinc/58/36/65/972583665.db2.gz LMKUFDBJHJPILR-WUHRBBMRSA-N 2 1 228.380 2.002 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246542834 972583671 /nfs/dbraw/zinc/58/36/71/972583671.db2.gz LMKUFDBJHJPILR-WUHRBBMRSA-N 2 1 228.380 2.002 20 0 BEADMP CC[C@@H](C[NH+]1CCC([NH+](CC)CC)CC1)OC ZINC001327520561 972595284 /nfs/dbraw/zinc/59/52/84/972595284.db2.gz PNQXNQXFSCBIFZ-AWEZNQCLSA-N 2 1 242.407 2.218 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@@H]1CCCc2occc21 ZINC001327840660 972755924 /nfs/dbraw/zinc/75/59/24/972755924.db2.gz RJIFHZFSWAQVGK-CMPLNLGQSA-N 2 1 222.332 2.245 20 0 BEADMP Cc1ccc(C[C@H](C)[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001246558933 972782484 /nfs/dbraw/zinc/78/24/84/972782484.db2.gz AYWBZIDJIPBBGH-VNHYZAJKSA-N 2 1 232.371 2.205 20 0 BEADMP Cc1ccc(C[C@H](C)[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001246558933 972782497 /nfs/dbraw/zinc/78/24/97/972782497.db2.gz AYWBZIDJIPBBGH-VNHYZAJKSA-N 2 1 232.371 2.205 20 0 BEADMP C[C@@H]1C[N@H+](C2CCCC2)CCC[C@@H]1C[NH3+] ZINC001246559493 972785605 /nfs/dbraw/zinc/78/56/05/972785605.db2.gz ANIRXWNIHJRNEN-VXGBXAGGSA-N 2 1 210.365 2.236 20 0 BEADMP CCc1ccc(C[C@@H](C)[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001246570078 972838006 /nfs/dbraw/zinc/83/80/06/972838006.db2.gz YUIDCHHBDNPPRM-XJKCOSOUSA-N 2 1 246.398 2.459 20 0 BEADMP CCc1ccc(C[C@@H](C)[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001246570078 972838011 /nfs/dbraw/zinc/83/80/11/972838011.db2.gz YUIDCHHBDNPPRM-XJKCOSOUSA-N 2 1 246.398 2.459 20 0 BEADMP C[C@H](CC(F)(F)F)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246589586 972987338 /nfs/dbraw/zinc/98/73/38/972987338.db2.gz SSIDMUYCUBALBU-IWSPIJDZSA-N 2 1 242.260 2.089 20 0 BEADMP C1[C@@H]2C[C@@H]([N@H+]3CCC[C@]34CCC[NH2+]C4)C[C@H]12 ZINC001246605920 973023262 /nfs/dbraw/zinc/02/32/62/973023262.db2.gz CZAMZKQOJJLUEE-CRWXNKLISA-N 2 1 220.360 2.003 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)C[NH2+]1 ZINC001246654537 973067120 /nfs/dbraw/zinc/06/71/20/973067120.db2.gz ICSDDTWLEVWPPT-WYUUTHIRSA-N 2 1 244.329 2.104 20 0 BEADMP F[C@H]1CCC2(C1)CC[NH+](C1CC[NH2+]CC1)CC2 ZINC001246855492 973175732 /nfs/dbraw/zinc/17/57/32/973175732.db2.gz UUGODZVXHGGTIP-LBPRGKRZSA-N 2 1 240.366 2.343 20 0 BEADMP C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246935406 973614040 /nfs/dbraw/zinc/61/40/40/973614040.db2.gz VDBMWDDJAWCDJQ-YIYPIFLZSA-N 2 1 222.376 2.106 20 0 BEADMP COC[C@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000234730042 973729294 /nfs/dbraw/zinc/72/92/94/973729294.db2.gz DUJJNUBRVWQFDE-AWEZNQCLSA-N 2 1 242.407 2.254 20 0 BEADMP C[C@H]1C[C@H]1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329433401 973772316 /nfs/dbraw/zinc/77/23/16/973772316.db2.gz NAZQHWCFYMACHC-STQMWFEESA-N 2 1 222.376 2.108 20 0 BEADMP Cc1ccc(CC[C@H](C)[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001171657108 974125197 /nfs/dbraw/zinc/12/51/97/974125197.db2.gz BBXAAZBFRPPKBL-DZGCQCFKSA-N 2 1 232.371 2.349 20 0 BEADMP Cc1ccc(CC[C@H](C)[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001171657108 974125202 /nfs/dbraw/zinc/12/52/02/974125202.db2.gz BBXAAZBFRPPKBL-DZGCQCFKSA-N 2 1 232.371 2.349 20 0 BEADMP CCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206154189 974320518 /nfs/dbraw/zinc/32/05/18/974320518.db2.gz HHCBBVOKEVCOHT-VXGBXAGGSA-N 2 1 216.344 2.328 20 0 BEADMP CCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206154189 974320527 /nfs/dbraw/zinc/32/05/27/974320527.db2.gz HHCBBVOKEVCOHT-VXGBXAGGSA-N 2 1 216.344 2.328 20 0 BEADMP [NH3+][C@H]1CC[N@H+](CC2CCCCC2)CC[C@@H]1F ZINC001206153978 974316638 /nfs/dbraw/zinc/31/66/38/974316638.db2.gz FVGVMSGWZCJPJJ-STQMWFEESA-N 2 1 228.355 2.328 20 0 BEADMP [NH3+][C@H]1CC[N@@H+](CC2CCCCC2)CC[C@@H]1F ZINC001206153978 974316650 /nfs/dbraw/zinc/31/66/50/974316650.db2.gz FVGVMSGWZCJPJJ-STQMWFEESA-N 2 1 228.355 2.328 20 0 BEADMP CC/C=C\CC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206153974 974319947 /nfs/dbraw/zinc/31/99/47/974319947.db2.gz FUWUTUIRSNEAOB-WGPFEIJOSA-N 2 1 214.328 2.104 20 0 BEADMP CC/C=C\CC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206153974 974319956 /nfs/dbraw/zinc/31/99/56/974319956.db2.gz FUWUTUIRSNEAOB-WGPFEIJOSA-N 2 1 214.328 2.104 20 0 BEADMP [NH3+][C@H]1CC[N@H+](Cc2cccc(F)c2)CC[C@H]1F ZINC001206154527 974328278 /nfs/dbraw/zinc/32/82/78/974328278.db2.gz JTDVOPRVAMWJAC-OLZOCXBDSA-N 2 1 240.297 2.087 20 0 BEADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc(F)c2)CC[C@H]1F ZINC001206154527 974328284 /nfs/dbraw/zinc/32/82/84/974328284.db2.gz JTDVOPRVAMWJAC-OLZOCXBDSA-N 2 1 240.297 2.087 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206154551 974331391 /nfs/dbraw/zinc/33/13/91/974331391.db2.gz JUUWNNJTSDSIOW-ZIAGYGMSSA-N 2 1 236.334 2.256 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206154551 974331396 /nfs/dbraw/zinc/33/13/96/974331396.db2.gz JUUWNNJTSDSIOW-ZIAGYGMSSA-N 2 1 236.334 2.256 20 0 BEADMP CC(C)OCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100101 974344036 /nfs/dbraw/zinc/34/40/36/974344036.db2.gz MVWMFCYCGMICQF-ZSOGYDGISA-N 2 1 240.391 2.016 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC(F)(F)C1)C2 ZINC001172099709 974347351 /nfs/dbraw/zinc/34/73/51/974347351.db2.gz MZDBRYBHXJEXNJ-YHPBZONMSA-N 2 1 244.329 2.389 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC(F)(F)C1)C2 ZINC001172099709 974347353 /nfs/dbraw/zinc/34/73/53/974347353.db2.gz MZDBRYBHXJEXNJ-YHPBZONMSA-N 2 1 244.329 2.389 20 0 BEADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(F)cc2)CC[C@@H]1F ZINC001206156639 974348008 /nfs/dbraw/zinc/34/80/08/974348008.db2.gz RMXDJZBKTSNFNI-STQMWFEESA-N 2 1 240.297 2.087 20 0 BEADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(F)cc2)CC[C@@H]1F ZINC001206156639 974348014 /nfs/dbraw/zinc/34/80/14/974348014.db2.gz RMXDJZBKTSNFNI-STQMWFEESA-N 2 1 240.297 2.087 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC(C(F)F)C1)C2 ZINC001172129938 974350330 /nfs/dbraw/zinc/35/03/30/974350330.db2.gz FGWJAMYVFGJUNA-ZSBIGDGJSA-N 2 1 244.329 2.199 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC(C(F)F)C1)C2 ZINC001172129938 974350342 /nfs/dbraw/zinc/35/03/42/974350342.db2.gz FGWJAMYVFGJUNA-ZSBIGDGJSA-N 2 1 244.329 2.199 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H]1CF)C2 ZINC001172130196 974356729 /nfs/dbraw/zinc/35/67/29/974356729.db2.gz HQPRPJSYWLKMLY-XJFOESAGSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@H]1CF)C2 ZINC001172130196 974356739 /nfs/dbraw/zinc/35/67/39/974356739.db2.gz HQPRPJSYWLKMLY-XJFOESAGSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H]1CF)C2 ZINC001172130196 974356747 /nfs/dbraw/zinc/35/67/47/974356747.db2.gz HQPRPJSYWLKMLY-XJFOESAGSA-N 2 1 240.366 2.436 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1C[C@H](F)C1)C2 ZINC001172101720 974361548 /nfs/dbraw/zinc/36/15/48/974361548.db2.gz AAZKMYMKOSTMOT-HLHWALHNSA-N 2 1 240.366 2.339 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H](F)C1)C2 ZINC001172101730 974363172 /nfs/dbraw/zinc/36/31/72/974363172.db2.gz AHPCQHAJBPPUPE-FOPUMGAHSA-N 2 1 226.339 2.092 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H](F)C1)C2 ZINC001172101730 974363183 /nfs/dbraw/zinc/36/31/83/974363183.db2.gz AHPCQHAJBPPUPE-FOPUMGAHSA-N 2 1 226.339 2.092 20 0 BEADMP CC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104877 974368586 /nfs/dbraw/zinc/36/85/86/974368586.db2.gz GORYAUHYKYPJNK-RVMXOQNASA-N 2 1 210.365 2.390 20 0 BEADMP CC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104877 974368591 /nfs/dbraw/zinc/36/85/91/974368591.db2.gz GORYAUHYKYPJNK-RVMXOQNASA-N 2 1 210.365 2.390 20 0 BEADMP C[C@H]1CC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121711 974388123 /nfs/dbraw/zinc/38/81/23/974388123.db2.gz SXQTXKMLKDJGFG-RVMXOQNASA-N 2 1 208.349 2.096 20 0 BEADMP C[C@H]1CC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121711 974388128 /nfs/dbraw/zinc/38/81/28/974388128.db2.gz SXQTXKMLKDJGFG-RVMXOQNASA-N 2 1 208.349 2.096 20 0 BEADMP C[C@H]1CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121711 974388134 /nfs/dbraw/zinc/38/81/34/974388134.db2.gz SXQTXKMLKDJGFG-RVMXOQNASA-N 2 1 208.349 2.096 20 0 BEADMP C[C@H]1CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121711 974388142 /nfs/dbraw/zinc/38/81/42/974388142.db2.gz SXQTXKMLKDJGFG-RVMXOQNASA-N 2 1 208.349 2.096 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CC3)C1)C2 ZINC001172121471 974388876 /nfs/dbraw/zinc/38/88/76/974388876.db2.gz QUHFVADYVUYSHP-BTTYYORXSA-N 2 1 234.387 2.488 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC3(CC3)C1)C2 ZINC001172121471 974388885 /nfs/dbraw/zinc/38/88/85/974388885.db2.gz QUHFVADYVUYSHP-BTTYYORXSA-N 2 1 234.387 2.488 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC3(CC3)C1)C2 ZINC001172121471 974388896 /nfs/dbraw/zinc/38/88/96/974388896.db2.gz QUHFVADYVUYSHP-BTTYYORXSA-N 2 1 234.387 2.488 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H](F)C1)C2 ZINC001172121442 974390711 /nfs/dbraw/zinc/39/07/11/974390711.db2.gz QNZIPAAUMNJECI-WUHRBBMRSA-N 2 1 226.339 2.046 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H](F)C1)C2 ZINC001172121442 974390716 /nfs/dbraw/zinc/39/07/16/974390716.db2.gz QNZIPAAUMNJECI-WUHRBBMRSA-N 2 1 226.339 2.046 20 0 BEADMP Cc1csc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206163807 974513971 /nfs/dbraw/zinc/51/39/71/974513971.db2.gz GCTDDVXZXGKPLO-VXGBXAGGSA-N 2 1 242.363 2.318 20 0 BEADMP CC[N@H+](C(C)C)C1CC[NH+](CCCOC)CC1 ZINC001172249219 974514467 /nfs/dbraw/zinc/51/44/67/974514467.db2.gz GTSKSHUIPVEWJR-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP CC[N@@H+](C(C)C)C1CC[NH+](CCCOC)CC1 ZINC001172249219 974514471 /nfs/dbraw/zinc/51/44/71/974514471.db2.gz GTSKSHUIPVEWJR-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP CC[C@H](C)[N@H+](C)C1CC[NH+](CCCOC)CC1 ZINC001172251703 974515009 /nfs/dbraw/zinc/51/50/09/974515009.db2.gz VHBSNWRNRQCMPY-ZDUSSCGKSA-N 2 1 242.407 2.218 20 0 BEADMP CC[C@H](C)[N@@H+](C)C1CC[NH+](CCCOC)CC1 ZINC001172251703 974515014 /nfs/dbraw/zinc/51/50/14/974515014.db2.gz VHBSNWRNRQCMPY-ZDUSSCGKSA-N 2 1 242.407 2.218 20 0 BEADMP C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C[C@H]1C ZINC001172380125 974583929 /nfs/dbraw/zinc/58/39/29/974583929.db2.gz RHQBLNLGDJNJDQ-ARILJUKYSA-N 2 1 236.403 2.305 20 0 BEADMP C[C@@H]1CC[C@@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C[C@H]1C ZINC001172380125 974583938 /nfs/dbraw/zinc/58/39/38/974583938.db2.gz RHQBLNLGDJNJDQ-ARILJUKYSA-N 2 1 236.403 2.305 20 0 BEADMP C[C@@H]1CC[C@@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C[C@H]1C ZINC001172380125 974583948 /nfs/dbraw/zinc/58/39/48/974583948.db2.gz RHQBLNLGDJNJDQ-ARILJUKYSA-N 2 1 236.403 2.305 20 0 BEADMP CCOCC[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001172413242 974680666 /nfs/dbraw/zinc/68/06/66/974680666.db2.gz ZVXQHMWCQWJKGO-LBPRGKRZSA-N 2 1 240.391 2.018 20 0 BEADMP CC[C@@H](CC(C)C)[NH2+]C1CC[NH+](C)CC1 ZINC001172383205 974725008 /nfs/dbraw/zinc/72/50/08/974725008.db2.gz LELVXJOESBWPEY-LBPRGKRZSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)OCC[C@@H](C)[N@@H+](CCC[NH3+])C(C)C ZINC001172434952 974745268 /nfs/dbraw/zinc/74/52/68/974745268.db2.gz WCZNMJNNONNWJH-CYBMUJFWSA-N 2 1 230.396 2.249 20 0 BEADMP CC(C)OCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC001172441542 974798463 /nfs/dbraw/zinc/79/84/63/974798463.db2.gz XAOPFVYUVSTETC-MJBXVCDLSA-N 2 1 242.407 2.120 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)s1 ZINC001206165325 974830107 /nfs/dbraw/zinc/83/01/07/974830107.db2.gz NISARWPKDXUQBF-VXGBXAGGSA-N 2 1 242.363 2.318 20 0 BEADMP CC[C@H]([NH2+]C/C=C/C1CC1)[C@@H]1CCC[NH2+]1 ZINC001331836550 974832209 /nfs/dbraw/zinc/83/22/09/974832209.db2.gz XTCYRNVBMDOBAC-CDBNLRSOSA-N 2 1 208.349 2.073 20 0 BEADMP CCc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)o1 ZINC001206165558 974874954 /nfs/dbraw/zinc/87/49/54/974874954.db2.gz OBFFDMUSMZKXLB-CHWSQXEVSA-N 2 1 240.322 2.103 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)o1 ZINC001206165558 974874956 /nfs/dbraw/zinc/87/49/56/974874956.db2.gz OBFFDMUSMZKXLB-CHWSQXEVSA-N 2 1 240.322 2.103 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)o1 ZINC001206165559 974876460 /nfs/dbraw/zinc/87/64/60/974876460.db2.gz OBFFDMUSMZKXLB-OLZOCXBDSA-N 2 1 240.322 2.103 20 0 BEADMP CCc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)o1 ZINC001206165559 974876467 /nfs/dbraw/zinc/87/64/67/974876467.db2.gz OBFFDMUSMZKXLB-OLZOCXBDSA-N 2 1 240.322 2.103 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C[C@H]3CC=CCC3)[C@H]2C1 ZINC001204089635 974877837 /nfs/dbraw/zinc/87/78/37/974877837.db2.gz PUGZMSHURQBHBW-AJNGGQMLSA-N 2 1 234.387 2.273 20 0 BEADMP [NH3+][C@H]1CC[N@@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172546180 974878044 /nfs/dbraw/zinc/87/80/44/974878044.db2.gz KHYPTHNTQAKELJ-QLFBSQMISA-N 2 1 230.355 2.356 20 0 BEADMP [NH3+][C@H]1CC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172546180 974878049 /nfs/dbraw/zinc/87/80/49/974878049.db2.gz KHYPTHNTQAKELJ-QLFBSQMISA-N 2 1 230.355 2.356 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CC=CCC3)[C@@H]2C1 ZINC001204089636 974878596 /nfs/dbraw/zinc/87/85/96/974878596.db2.gz PUGZMSHURQBHBW-BARDWOONSA-N 2 1 234.387 2.273 20 0 BEADMP CC(C)(C[NH3+])[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172708485 974924823 /nfs/dbraw/zinc/92/48/23/974924823.db2.gz HBSYYKWUZUKCIK-GFCCVEGCSA-N 2 1 238.762 2.134 20 0 BEADMP CCCOC1CCC([N@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC001173092579 975015388 /nfs/dbraw/zinc/01/53/88/975015388.db2.gz VMGOKYRZNCKEPO-IYXRBSQSSA-N 2 1 240.391 2.147 20 0 BEADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001330584321 975049513 /nfs/dbraw/zinc/04/95/13/975049513.db2.gz HVBOOMSJWUXTSW-QDMKHBRRSA-N 2 1 248.414 2.498 20 0 BEADMP CC[C@@H]1CC[C@@H](n2c(C)c[nH+]c2CC[NH3+])C1 ZINC001173265820 975127290 /nfs/dbraw/zinc/12/72/90/975127290.db2.gz VZEOJZITAVBWQF-VXGBXAGGSA-N 2 1 221.348 2.444 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@H](C)CSCC ZINC001173292873 975171081 /nfs/dbraw/zinc/17/10/81/975171081.db2.gz SHRNVCNJNKFZHT-LLVKDONJSA-N 2 1 218.410 2.189 20 0 BEADMP CC[C@@H]1CC[C@@H]([N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)C1 ZINC001173295498 975179886 /nfs/dbraw/zinc/17/98/86/975179886.db2.gz QFTBXVOOFBOOJQ-KBUPBQIOSA-N 2 1 236.403 2.449 20 0 BEADMP CC[C@@H]1CC[C@H]([N@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001173291397 975262302 /nfs/dbraw/zinc/26/23/02/975262302.db2.gz AWIMEOAURPXDEB-OLZOCXBDSA-N 2 1 233.359 2.320 20 0 BEADMP CC[C@@H]1CC[C@H]([N@@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001173291397 975262313 /nfs/dbraw/zinc/26/23/13/975262313.db2.gz AWIMEOAURPXDEB-OLZOCXBDSA-N 2 1 233.359 2.320 20 0 BEADMP Cc1sccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206200439 975377479 /nfs/dbraw/zinc/37/74/79/975377479.db2.gz RPYGJNMGQYKAIO-NWDGAFQWSA-N 2 1 242.363 2.318 20 0 BEADMP C[C@H]1CCC[N@@H+]1CC[NH2+]CCCC(F)(F)F ZINC001333749752 976059442 /nfs/dbraw/zinc/05/94/42/976059442.db2.gz CJSPGGXDZCYBND-JTQLQIEISA-N 2 1 238.297 2.403 20 0 BEADMP C[C@H]1CCC[N@H+]1CC[NH2+]CCCC(F)(F)F ZINC001333749752 976059465 /nfs/dbraw/zinc/05/94/65/976059465.db2.gz CJSPGGXDZCYBND-JTQLQIEISA-N 2 1 238.297 2.403 20 0 BEADMP Nc1c[nH+]cn1-c1cc[nH+]c2ccccc21 ZINC001174039148 976249259 /nfs/dbraw/zinc/24/92/59/976249259.db2.gz OTGZBABCFRZEAX-UHFFFAOYSA-N 2 1 210.240 2.003 20 0 BEADMP C[C@H](c1cccc(O[C@H]2CC[N@@H+](C)C2)c1)[NH+](C)C ZINC001229625582 976917216 /nfs/dbraw/zinc/91/72/16/976917216.db2.gz IDQDXBKJMSGZLZ-DOMZBBRYSA-N 2 1 248.370 2.392 20 0 BEADMP C[NH+](C)Cc1ccccc1O[C@H]1CCC[N@@H+](C)C1 ZINC001229699276 976948597 /nfs/dbraw/zinc/94/85/97/976948597.db2.gz MIJKMXOPJICLCI-AWEZNQCLSA-N 2 1 248.370 2.221 20 0 BEADMP CC[N@H+]1CC[C@H](Oc2ccccc2C[NH+](C)C)C1 ZINC001229699990 976950771 /nfs/dbraw/zinc/95/07/71/976950771.db2.gz UJRNYRJWGOBWDG-AWEZNQCLSA-N 2 1 248.370 2.221 20 0 BEADMP CC[C@H](C)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC001175444505 977434482 /nfs/dbraw/zinc/43/44/82/977434482.db2.gz KTFCDPKJMPUJNT-IGQOVBAYSA-N 2 1 224.392 2.447 20 0 BEADMP CC[C@H](C)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC001175444505 977434490 /nfs/dbraw/zinc/43/44/90/977434490.db2.gz KTFCDPKJMPUJNT-IGQOVBAYSA-N 2 1 224.392 2.447 20 0 BEADMP CC[C@H](C)[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001175444505 977434497 /nfs/dbraw/zinc/43/44/97/977434497.db2.gz KTFCDPKJMPUJNT-IGQOVBAYSA-N 2 1 224.392 2.447 20 0 BEADMP CC[C@H](C)[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001175444505 977434500 /nfs/dbraw/zinc/43/45/00/977434500.db2.gz KTFCDPKJMPUJNT-IGQOVBAYSA-N 2 1 224.392 2.447 20 0 BEADMP CC[C@H](C)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC001175444506 977435512 /nfs/dbraw/zinc/43/55/12/977435512.db2.gz KTFCDPKJMPUJNT-XDQVBPFNSA-N 2 1 224.392 2.447 20 0 BEADMP CC[C@H](C)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC001175444506 977435522 /nfs/dbraw/zinc/43/55/22/977435522.db2.gz KTFCDPKJMPUJNT-XDQVBPFNSA-N 2 1 224.392 2.447 20 0 BEADMP CC[C@H](C)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001175444506 977435532 /nfs/dbraw/zinc/43/55/32/977435532.db2.gz KTFCDPKJMPUJNT-XDQVBPFNSA-N 2 1 224.392 2.447 20 0 BEADMP CC[C@H](C)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001175444506 977435539 /nfs/dbraw/zinc/43/55/39/977435539.db2.gz KTFCDPKJMPUJNT-XDQVBPFNSA-N 2 1 224.392 2.447 20 0 BEADMP C[NH+](C)Cc1ccccc1NC1=CCC[N@@H+](C)C1 ZINC001175580648 977604897 /nfs/dbraw/zinc/60/48/97/977604897.db2.gz OQHABKNPFPNOKF-UHFFFAOYSA-N 2 1 245.370 2.380 20 0 BEADMP Cc1cc(F)cc(NC[C@H](C)C[NH+](C)C)[nH+]1 ZINC001336635689 977824658 /nfs/dbraw/zinc/82/46/58/977824658.db2.gz DKIKINFRCNGUMR-VIFPVBQESA-N 2 1 225.311 2.139 20 0 BEADMP CO[C@H]1CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011743 977837976 /nfs/dbraw/zinc/83/79/76/977837976.db2.gz OKNCCSNIECMAKS-ZDUSSCGKSA-N 2 1 245.326 2.174 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011415 977838906 /nfs/dbraw/zinc/83/89/06/977838906.db2.gz JYWFNZXNLLYQLB-SNVBAGLBSA-N 2 1 215.300 2.405 20 0 BEADMP C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232010830 977840577 /nfs/dbraw/zinc/84/05/77/977840577.db2.gz DCNAQPRGBCBKTQ-KOLCDFICSA-N 2 1 233.290 2.495 20 0 BEADMP C[C@@H]1C[C@H](F)C[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232010830 977840582 /nfs/dbraw/zinc/84/05/82/977840582.db2.gz DCNAQPRGBCBKTQ-KOLCDFICSA-N 2 1 233.290 2.495 20 0 BEADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccoc3)C[C@@H]2C1 ZINC001336889257 978029793 /nfs/dbraw/zinc/02/97/93/978029793.db2.gz QITRCIQNIMPIFD-QLFBSQMISA-N 2 1 248.370 2.442 20 0 BEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccncc2)CC1 ZINC001206292888 978289904 /nfs/dbraw/zinc/28/99/04/978289904.db2.gz FKJFAMSPMJIIBW-CQSZACIVSA-N 2 1 233.359 2.033 20 0 BEADMP C[C@]1(C[NH3+])CCC[N@@H+](C[C@@H]2CCC=CO2)CC1 ZINC001206293268 978296486 /nfs/dbraw/zinc/29/64/86/978296486.db2.gz GYCVALYSUFTMPZ-KBPBESRZSA-N 2 1 238.375 2.130 20 0 BEADMP Cc1cccnc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206303126 978346591 /nfs/dbraw/zinc/34/65/91/978346591.db2.gz BMBGLRZVBJFKJE-OAHLLOKOSA-N 2 1 247.386 2.341 20 0 BEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cncs2)CC1 ZINC001206303149 978359457 /nfs/dbraw/zinc/35/94/57/978359457.db2.gz BUVCCHKGUMFKET-GFCCVEGCSA-N 2 1 239.388 2.094 20 0 BEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cncs2)CC1 ZINC001206303150 978359743 /nfs/dbraw/zinc/35/97/43/978359743.db2.gz BUVCCHKGUMFKET-LBPRGKRZSA-N 2 1 239.388 2.094 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)ccn1 ZINC001206305096 978383560 /nfs/dbraw/zinc/38/35/60/978383560.db2.gz SVCYLTSQBAEGFT-OAHLLOKOSA-N 2 1 247.386 2.341 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H](NCc3ccccc3F)[C@@H]2C1 ZINC001179815688 978758271 /nfs/dbraw/zinc/75/82/71/978758271.db2.gz IVBQBFJPCIZAGB-GUTXKFCHSA-N 2 1 248.345 2.256 20 0 BEADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3F)[C@@H]2C1 ZINC001179815688 978758274 /nfs/dbraw/zinc/75/82/74/978758274.db2.gz IVBQBFJPCIZAGB-GUTXKFCHSA-N 2 1 248.345 2.256 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3F)[C@@H]2C1 ZINC001179815688 978758280 /nfs/dbraw/zinc/75/82/80/978758280.db2.gz IVBQBFJPCIZAGB-GUTXKFCHSA-N 2 1 248.345 2.256 20 0 BEADMP CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000070643703 978862072 /nfs/dbraw/zinc/86/20/72/978862072.db2.gz GOVANNKDETXSBV-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CN(c2cc[nH+]c3ccsc32)C[C@H](C)[NH2+]1 ZINC001339773948 978910066 /nfs/dbraw/zinc/91/00/66/978910066.db2.gz NKCCMCIJJBIGKQ-AOOOYVTPSA-N 2 1 247.367 2.483 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CCC=C(F)C2)CC1 ZINC001180732732 978942397 /nfs/dbraw/zinc/94/23/97/978942397.db2.gz SFUSGYHZLPOHTH-UHFFFAOYSA-N 2 1 226.339 2.277 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC001235005373 978947625 /nfs/dbraw/zinc/94/76/25/978947625.db2.gz VWBYIUXOKAPWBI-XGUBFFRZSA-N 2 1 234.387 2.415 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC001235005373 978947632 /nfs/dbraw/zinc/94/76/32/978947632.db2.gz VWBYIUXOKAPWBI-XGUBFFRZSA-N 2 1 234.387 2.415 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001235006874 978950000 /nfs/dbraw/zinc/95/00/00/978950000.db2.gz MPNKYFPMICNLQD-BYNSBNAKSA-N 2 1 234.387 2.273 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001235006923 978951381 /nfs/dbraw/zinc/95/13/81/978951381.db2.gz MPNKYFPMICNLQD-ZQDZILKHSA-N 2 1 234.387 2.273 20 0 BEADMP CCc1cccc(C)c1C[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235029915 978954614 /nfs/dbraw/zinc/95/46/14/978954614.db2.gz BPNKJJBCPYVHTG-GOEBONIOSA-N 2 1 244.382 2.351 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)CC1 ZINC001235025475 978955315 /nfs/dbraw/zinc/95/53/15/978955315.db2.gz BZMLWXFEZDYROA-LJISPDSOSA-N 2 1 234.387 2.273 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@]3(CC[NH2+]3)C2)CC1 ZINC001235062687 978967656 /nfs/dbraw/zinc/96/76/56/978967656.db2.gz BTCKIVOANMOZEJ-SOUVJXGZSA-N 2 1 234.387 2.417 20 0 BEADMP CS[C@@H](C)CC[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235120400 978977754 /nfs/dbraw/zinc/97/77/54/978977754.db2.gz AMTLETVRWAFACP-STQMWFEESA-N 2 1 242.432 2.346 20 0 BEADMP C([C@H]1CCCC[NH2+]1)[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001235222655 978996009 /nfs/dbraw/zinc/99/60/09/978996009.db2.gz MRCNRQCQPCGDJG-MGPQQGTHSA-N 2 1 222.376 2.251 20 0 BEADMP c1nc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)co1 ZINC001235229527 978998142 /nfs/dbraw/zinc/99/81/42/978998142.db2.gz QDYRMRYCLAIRAI-AWEZNQCLSA-N 2 1 249.358 2.029 20 0 BEADMP C([C@H]1CCCC[NH2+]1)[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001235222646 978998911 /nfs/dbraw/zinc/99/89/11/978998911.db2.gz MRCNRQCQPCGDJG-BFHYXJOUSA-N 2 1 222.376 2.251 20 0 BEADMP CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)cc1 ZINC001235283230 979018061 /nfs/dbraw/zinc/01/80/61/979018061.db2.gz FFGMLOLVLNMDKO-QDMKHBRRSA-N 2 1 244.382 2.373 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235404153 979038840 /nfs/dbraw/zinc/03/88/40/979038840.db2.gz MTHQUWHGGKRQOU-KGLIPLIRSA-N 2 1 242.382 2.446 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235410501 979039950 /nfs/dbraw/zinc/03/99/50/979039950.db2.gz YGCVCCVTOMHDNB-UONOGXRCSA-N 2 1 242.382 2.446 20 0 BEADMP CCc1ccccc1C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235710639 979129984 /nfs/dbraw/zinc/12/99/84/979129984.db2.gz CYWRLHVWGZWXBH-UHFFFAOYSA-N 2 1 244.382 2.434 20 0 BEADMP [NH3+]CCCC[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001235727638 979134468 /nfs/dbraw/zinc/13/44/68/979134468.db2.gz VLOJBZNUWONRON-GFCCVEGCSA-N 2 1 236.334 2.354 20 0 BEADMP C[C@H]([NH3+])C[N@H+](Cc1ccccc1)C1CCOCC1 ZINC001235840516 979166888 /nfs/dbraw/zinc/16/68/88/979166888.db2.gz NCBAHECXQMSYCW-ZDUSSCGKSA-N 2 1 248.370 2.015 20 0 BEADMP C[C@H]([NH3+])C[N@@H+](Cc1ccccc1)C1CCOCC1 ZINC001235840516 979166896 /nfs/dbraw/zinc/16/68/96/979166896.db2.gz NCBAHECXQMSYCW-ZDUSSCGKSA-N 2 1 248.370 2.015 20 0 BEADMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1cccc2c1CCC2 ZINC001235891783 979184873 /nfs/dbraw/zinc/18/48/73/979184873.db2.gz IVLOOGZQBYSTNW-DOMZBBRYSA-N 2 1 244.382 2.487 20 0 BEADMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1cccc2c1CCC2 ZINC001235891783 979184886 /nfs/dbraw/zinc/18/48/86/979184886.db2.gz IVLOOGZQBYSTNW-DOMZBBRYSA-N 2 1 244.382 2.487 20 0 BEADMP C[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)CC1CCCCC1 ZINC001235961058 979223921 /nfs/dbraw/zinc/22/39/21/979223921.db2.gz WDLUDSKDORMASB-ZDUSSCGKSA-N 2 1 240.391 2.223 20 0 BEADMP C[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)CC1CCCCC1 ZINC001235961058 979223935 /nfs/dbraw/zinc/22/39/35/979223935.db2.gz WDLUDSKDORMASB-ZDUSSCGKSA-N 2 1 240.391 2.223 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235977785 979240249 /nfs/dbraw/zinc/24/02/49/979240249.db2.gz HYKUKIJAQUAQFP-BYNSBNAKSA-N 2 1 234.387 2.402 20 0 BEADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](CCC1CCCCC1)C2 ZINC001235981867 979262848 /nfs/dbraw/zinc/26/28/48/979262848.db2.gz YHJYLFCVUTWSDR-KGLIPLIRSA-N 2 1 222.376 2.380 20 0 BEADMP Cc1cccc(CC[N@H+]2C[C@H]([NH3+])C[C@H](C)C2)c1 ZINC001236044581 979339352 /nfs/dbraw/zinc/33/93/52/979339352.db2.gz OLRMKALKCOACIG-DZGCQCFKSA-N 2 1 232.371 2.207 20 0 BEADMP Cc1cccc(CC[N@@H+]2C[C@H]([NH3+])C[C@H](C)C2)c1 ZINC001236044581 979339367 /nfs/dbraw/zinc/33/93/67/979339367.db2.gz OLRMKALKCOACIG-DZGCQCFKSA-N 2 1 232.371 2.207 20 0 BEADMP C[C@@H](C[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2)c1ccccc1 ZINC001236059489 979346361 /nfs/dbraw/zinc/34/63/61/979346361.db2.gz IWDUIJUBWJZREL-DZKIICNBSA-N 2 1 244.382 2.474 20 0 BEADMP C[C@@H](C[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2)c1ccccc1 ZINC001236059489 979346366 /nfs/dbraw/zinc/34/63/66/979346366.db2.gz IWDUIJUBWJZREL-DZKIICNBSA-N 2 1 244.382 2.474 20 0 BEADMP CC(C)(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236061530 979351214 /nfs/dbraw/zinc/35/12/14/979351214.db2.gz ZJAAJUIQGVXUNR-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP CNc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236218339 979451659 /nfs/dbraw/zinc/45/16/59/979451659.db2.gz SDEVTIORHRFACZ-LSDHHAIUSA-N 2 1 247.386 2.430 20 0 BEADMP CNc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236218339 979451668 /nfs/dbraw/zinc/45/16/68/979451668.db2.gz SDEVTIORHRFACZ-LSDHHAIUSA-N 2 1 247.386 2.430 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2CC[NH2+]CC[C@@H]2C)c1 ZINC000085622241 979524454 /nfs/dbraw/zinc/52/44/54/979524454.db2.gz WQWHVXXTMISHCS-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP C(C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1)C1CCCC1 ZINC001236314527 979526151 /nfs/dbraw/zinc/52/61/51/979526151.db2.gz QGFFMHOFQUIZIP-GASCZTMLSA-N 2 1 236.403 2.498 20 0 BEADMP C([C@H]1CCCC[NH2+]1)[N@@H+]1CCCC2(CCC2)C1 ZINC001236322867 979537460 /nfs/dbraw/zinc/53/74/60/979537460.db2.gz UTWIHYVNEUZPPH-CYBMUJFWSA-N 2 1 222.376 2.395 20 0 BEADMP C([C@H]1CCCC[NH2+]1)[N@H+]1CCCC2(CCC2)C1 ZINC001236322867 979537463 /nfs/dbraw/zinc/53/74/63/979537463.db2.gz UTWIHYVNEUZPPH-CYBMUJFWSA-N 2 1 222.376 2.395 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001236411151 979588328 /nfs/dbraw/zinc/58/83/28/979588328.db2.gz NAWMFYRYEWIQCV-BTFPBAQTSA-N 2 1 234.387 2.128 20 0 BEADMP C[C@H]([NH3+])C[N@H+](C)CCCc1ccc(F)cc1 ZINC001236885443 979781836 /nfs/dbraw/zinc/78/18/36/979781836.db2.gz HWGUXFQNMKAGSD-NSHDSACASA-N 2 1 224.323 2.037 20 0 BEADMP C[C@H]([NH3+])C[N@@H+](C)CCCc1ccc(F)cc1 ZINC001236885443 979781845 /nfs/dbraw/zinc/78/18/45/979781845.db2.gz HWGUXFQNMKAGSD-NSHDSACASA-N 2 1 224.323 2.037 20 0 BEADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(O)cc2)CC1 ZINC001205263701 979806471 /nfs/dbraw/zinc/80/64/71/979806471.db2.gz BPVMXRPYUVPUFF-CQSZACIVSA-N 2 1 234.343 2.096 20 0 BEADMP Cc1ncsc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205266737 979820633 /nfs/dbraw/zinc/82/06/33/979820633.db2.gz XAYCMXDNZHTMEC-LBPRGKRZSA-N 2 1 239.388 2.155 20 0 BEADMP CCc1cccc(C)c1C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001237203572 979846362 /nfs/dbraw/zinc/84/63/62/979846362.db2.gz IMOOTQYZBSAIQO-OCCSQVGLSA-N 2 1 232.371 2.479 20 0 BEADMP CCc1cccc(C)c1C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001237203572 979846366 /nfs/dbraw/zinc/84/63/66/979846366.db2.gz IMOOTQYZBSAIQO-OCCSQVGLSA-N 2 1 232.371 2.479 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)o1 ZINC001237382192 979879506 /nfs/dbraw/zinc/87/95/06/979879506.db2.gz MDCYDEBATOYATP-JSGCOSHPSA-N 2 1 234.343 2.162 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)o1 ZINC001237382192 979879512 /nfs/dbraw/zinc/87/95/12/979879512.db2.gz MDCYDEBATOYATP-JSGCOSHPSA-N 2 1 234.343 2.162 20 0 BEADMP CS[C@H](C)CC[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237383618 979881957 /nfs/dbraw/zinc/88/19/57/979881957.db2.gz QQAIOHKBXDQBBJ-UPJWGTAASA-N 2 1 242.432 2.202 20 0 BEADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001184386311 980057566 /nfs/dbraw/zinc/05/75/66/980057566.db2.gz BRKGZNJAWKPDFQ-QSLWVIQJSA-N 2 1 224.392 2.351 20 0 BEADMP CCc1cccnc1[C@@H](C)[NH2+]CC[C@@H](C)[NH2+]C ZINC001345481620 980617690 /nfs/dbraw/zinc/61/76/90/980617690.db2.gz FCNFQYSOVOKKPJ-VXGBXAGGSA-N 2 1 235.375 2.293 20 0 BEADMP [NH3+]C[C@@]1(F)CCC[N@@H+](C[C@H]2CC=CCC2)CC1 ZINC001205539441 980914402 /nfs/dbraw/zinc/91/44/02/980914402.db2.gz ZDTLOSJQXFDSNE-UONOGXRCSA-N 2 1 240.366 2.496 20 0 BEADMP C([C@@H]1CC2CCC1CC2)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000691685548 981079286 /nfs/dbraw/zinc/07/92/86/981079286.db2.gz QEWXUMQCLYRKMV-IFOPZJACSA-N 2 1 234.387 2.106 20 0 BEADMP C[C@@H]1CC[N@@H+](CCC2CC2)CC[C@@H]1C[NH3+] ZINC001205600446 981155689 /nfs/dbraw/zinc/15/56/89/981155689.db2.gz BSVWGBBXAWSABE-DGCLKSJQSA-N 2 1 210.365 2.093 20 0 BEADMP CCCCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205602644 981164596 /nfs/dbraw/zinc/16/45/96/981164596.db2.gz KXRDNHFAAANRKN-CHWSQXEVSA-N 2 1 212.381 2.483 20 0 BEADMP Cc1cccnc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205603989 981175567 /nfs/dbraw/zinc/17/55/67/981175567.db2.gz SXSIKGFAADBTGI-GXTWGEPZSA-N 2 1 247.386 2.197 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2cccc(N)c2)CC[C@@H]1C[NH3+] ZINC001205638819 981413113 /nfs/dbraw/zinc/41/31/13/981413113.db2.gz SERXEMVDSLTTJC-TZMCWYRMSA-N 2 1 247.386 2.076 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1sccc1OC ZINC001348854218 981460048 /nfs/dbraw/zinc/46/00/48/981460048.db2.gz YUHSFAGRWHSMRI-VHSXEESVSA-N 2 1 242.388 2.405 20 0 BEADMP Cc1cc(N(C)C)[nH+]cc1C=C1CC[NH2+]CC1 ZINC001240877798 981928357 /nfs/dbraw/zinc/92/83/57/981928357.db2.gz IFTAYZCWMVZGHU-UHFFFAOYSA-N 2 1 231.343 2.223 20 0 BEADMP C[C@H]([NH3+])c1ccc(C2=CC[N@@H+](C)CC2)cc1 ZINC001241327145 982487561 /nfs/dbraw/zinc/48/75/61/982487561.db2.gz IAFRVPLXWVKFTQ-NSHDSACASA-N 2 1 216.328 2.425 20 0 BEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccccc2)C1 ZINC001205803533 982555374 /nfs/dbraw/zinc/55/53/74/982555374.db2.gz HNOGRMZPJKRJBW-TZMCWYRMSA-N 2 1 218.344 2.246 20 0 BEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccc2)C1 ZINC001205803533 982555381 /nfs/dbraw/zinc/55/53/81/982555381.db2.gz HNOGRMZPJKRJBW-TZMCWYRMSA-N 2 1 218.344 2.246 20 0 BEADMP C[N@H+]1CCC=C(c2cccc3c2CC[NH2+]C3)C1 ZINC001241569973 982818391 /nfs/dbraw/zinc/81/83/91/982818391.db2.gz BUEKBKQTARPOLU-UHFFFAOYSA-N 2 1 228.339 2.051 20 0 BEADMP C[N@H+]1CCC=C(c2cccc3c2C[NH2+]C3)C1 ZINC001241570144 982818420 /nfs/dbraw/zinc/81/84/20/982818420.db2.gz GLJHWIHJFZUTQX-UHFFFAOYSA-N 2 1 214.312 2.009 20 0 BEADMP C[N@H+]1CCC=C(c2cccc3c2C[NH2+]CC3)C1 ZINC001241570458 982818778 /nfs/dbraw/zinc/81/87/78/982818778.db2.gz HZNUXFACISQDJT-UHFFFAOYSA-N 2 1 228.339 2.051 20 0 BEADMP c1cc(NC[C@@H]2CC[N@H+]2C2CCCCC2)cc[nH+]1 ZINC001354032515 983120755 /nfs/dbraw/zinc/12/07/55/983120755.db2.gz XBTBIXVPTOXBRJ-HNNXBMFYSA-N 2 1 245.370 2.322 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CC=CCC3)C[C@@H]2C1 ZINC001201412122 983215608 /nfs/dbraw/zinc/21/56/08/983215608.db2.gz UKBOQADTSIDRNP-KFWWJZLASA-N 2 1 234.387 2.226 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CC=CCC3)C[C@@H]2C1 ZINC001201412122 983215614 /nfs/dbraw/zinc/21/56/14/983215614.db2.gz UKBOQADTSIDRNP-KFWWJZLASA-N 2 1 234.387 2.226 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CC=CCC3)C[C@@H]2C1 ZINC001201412122 983215618 /nfs/dbraw/zinc/21/56/18/983215618.db2.gz UKBOQADTSIDRNP-KFWWJZLASA-N 2 1 234.387 2.226 20 0 BEADMP Cc1cc(N(C)C)[nH+]cc1C1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001242023934 983232132 /nfs/dbraw/zinc/23/21/32/983232132.db2.gz LMPZXPLCNDGKLY-OLZOCXBDSA-N 2 1 243.354 2.364 20 0 BEADMP C[NH2+]Cc1ccccc1-c1c[nH+]c(N)cc1C ZINC001242096478 983338531 /nfs/dbraw/zinc/33/85/31/983338531.db2.gz OOFFCBXXGQZVIY-UHFFFAOYSA-N 2 1 227.311 2.359 20 0 BEADMP CCC[N@@H+]1C[C@@H]2C[NH+](CCC(C)C)C[C@@H]2C1 ZINC001201630298 983357075 /nfs/dbraw/zinc/35/70/75/983357075.db2.gz OUUSKBSFLUOSCE-OKILXGFUSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[NH+]1C[C@@H]2C[N@@H+](CCC(C)C)C[C@@H]2C1 ZINC001201630298 983357085 /nfs/dbraw/zinc/35/70/85/983357085.db2.gz OUUSKBSFLUOSCE-OKILXGFUSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001201638217 983369990 /nfs/dbraw/zinc/36/99/90/983369990.db2.gz KEATUGHGNXQTFM-UHFFFAOYSA-N 2 1 233.359 2.339 20 0 BEADMP c1ccc(CC[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001201610407 983373583 /nfs/dbraw/zinc/37/35/83/983373583.db2.gz UXOQOCFCANKCSC-UHFFFAOYSA-N 2 1 244.382 2.399 20 0 BEADMP CC[N@@H+]1C[C@@H]2C[NH+](CCC(C)(C)C)C[C@@H]2C1 ZINC001202114948 983564279 /nfs/dbraw/zinc/56/42/79/983564279.db2.gz JRQXXACXUQWJLC-BETUJISGSA-N 2 1 224.392 2.306 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001202114948 983564299 /nfs/dbraw/zinc/56/42/99/983564299.db2.gz JRQXXACXUQWJLC-BETUJISGSA-N 2 1 224.392 2.306 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001202114948 983564312 /nfs/dbraw/zinc/56/43/12/983564312.db2.gz JRQXXACXUQWJLC-BETUJISGSA-N 2 1 224.392 2.306 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12)C1CCC1 ZINC001561053069 984013841 /nfs/dbraw/zinc/01/38/41/984013841.db2.gz RYVQAQGYUXEUHI-IGHBBLSQSA-N 2 1 222.376 2.105 20 0 BEADMP Cc1[nH+]c(N)ccc1-c1ccc2c(c1)C[NH2+]C2 ZINC001242675120 984041192 /nfs/dbraw/zinc/04/11/92/984041192.db2.gz DTPOLZJIZHKQBK-UHFFFAOYSA-N 2 1 225.295 2.242 20 0 BEADMP C[C@@H]1CCC[C@H](CC[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC001576670110 984178459 /nfs/dbraw/zinc/17/84/59/984178459.db2.gz YIINMYLEUHGFPI-ZSAUSMIDSA-N 2 1 236.403 2.352 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCC[C@@H]1C[NH3+] ZINC001205985223 984302062 /nfs/dbraw/zinc/30/20/62/984302062.db2.gz WODXCDNADFUUSF-UKRRQHHQSA-N 2 1 232.371 2.493 20 0 BEADMP CC[C@@H](C)C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001275061847 984455312 /nfs/dbraw/zinc/45/53/12/984455312.db2.gz LOWOAOVWBLWACI-CYBMUJFWSA-N 2 1 224.392 2.450 20 0 BEADMP Cc1occc1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001243064837 984470745 /nfs/dbraw/zinc/47/07/45/984470745.db2.gz HGXNJUAQRXXCOA-UHFFFAOYSA-N 2 1 243.310 2.060 20 0 BEADMP CC(C)CC[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001275096403 984486115 /nfs/dbraw/zinc/48/61/15/984486115.db2.gz HIJQNZHBAVYBPN-OKILXGFUSA-N 2 1 224.392 2.306 20 0 BEADMP CC(C)CC[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001275096403 984486125 /nfs/dbraw/zinc/48/61/25/984486125.db2.gz HIJQNZHBAVYBPN-OKILXGFUSA-N 2 1 224.392 2.306 20 0 BEADMP CC(C)CC[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001275096403 984486136 /nfs/dbraw/zinc/48/61/36/984486136.db2.gz HIJQNZHBAVYBPN-OKILXGFUSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001275103960 984490298 /nfs/dbraw/zinc/49/02/98/984490298.db2.gz VXZMYYDVBYMVJY-CYBMUJFWSA-N 2 1 210.365 2.204 20 0 BEADMP CCC[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001275103960 984490310 /nfs/dbraw/zinc/49/03/10/984490310.db2.gz VXZMYYDVBYMVJY-CYBMUJFWSA-N 2 1 210.365 2.204 20 0 BEADMP CCC[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001275103960 984490323 /nfs/dbraw/zinc/49/03/23/984490323.db2.gz VXZMYYDVBYMVJY-CYBMUJFWSA-N 2 1 210.365 2.204 20 0 BEADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC001275235692 984525052 /nfs/dbraw/zinc/52/50/52/984525052.db2.gz YGBPDGSMELAFBG-UHFFFAOYSA-N 2 1 234.343 2.197 20 0 BEADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccc[nH]3)CC2)C1 ZINC001275854032 984701040 /nfs/dbraw/zinc/70/10/40/984701040.db2.gz YHDWUYJVFSOYTO-UHFFFAOYSA-N 2 1 247.386 2.323 20 0 BEADMP CCO[C@@H]1CCC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)C1 ZINC001578098287 984848898 /nfs/dbraw/zinc/84/88/98/984848898.db2.gz VXDKCJSHSYNPRK-MGPQQGTHSA-N 2 1 242.407 2.297 20 0 BEADMP CCO[C@@H]1CCC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)C1 ZINC001578098284 984849610 /nfs/dbraw/zinc/84/96/10/984849610.db2.gz VXDKCJSHSYNPRK-BFHYXJOUSA-N 2 1 242.407 2.297 20 0 BEADMP CCC[C@@H](C)[N@@H+](CC)CCC[NH+](C)C ZINC001257324432 984895590 /nfs/dbraw/zinc/89/55/90/984895590.db2.gz OLVOHXSWVXKTOL-GFCCVEGCSA-N 2 1 200.370 2.449 20 0 BEADMP CC(C)[NH2+][C@H]1CCC[N@H+](CC2CC(C)C2)C1 ZINC000691974515 985080068 /nfs/dbraw/zinc/08/00/68/985080068.db2.gz HTNIOGKLYONERY-RUXDESIVSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)[NH2+][C@H]1CCC[N@@H+](CC2CC(C)C2)C1 ZINC000691974515 985080084 /nfs/dbraw/zinc/08/00/84/985080084.db2.gz HTNIOGKLYONERY-RUXDESIVSA-N 2 1 224.392 2.495 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])C[C@]1(C)CCCCO1 ZINC001578465850 985101139 /nfs/dbraw/zinc/10/11/39/985101139.db2.gz RDOSNWLTUFBOLB-AWEZNQCLSA-N 2 1 242.407 2.397 20 0 BEADMP CSC1(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)CCC1 ZINC001579364907 985860481 /nfs/dbraw/zinc/86/04/81/985860481.db2.gz FOYLHZOBKRYPLE-RYUDHWBXSA-N 2 1 242.432 2.189 20 0 BEADMP CSC1(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)CCC1 ZINC001579364906 985861687 /nfs/dbraw/zinc/86/16/87/985861687.db2.gz FOYLHZOBKRYPLE-NWDGAFQWSA-N 2 1 242.432 2.189 20 0 BEADMP CSc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC001579388071 985870241 /nfs/dbraw/zinc/87/02/41/985870241.db2.gz NLIRXHUHNDWADL-ZJUUUORDSA-N 2 1 240.372 2.171 20 0 BEADMP CSc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC001579388071 985870250 /nfs/dbraw/zinc/87/02/50/985870250.db2.gz NLIRXHUHNDWADL-ZJUUUORDSA-N 2 1 240.372 2.171 20 0 BEADMP C[C@H](CC1CC1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258473544 985934185 /nfs/dbraw/zinc/93/41/85/985934185.db2.gz NKSKXIOMMNKXRW-OCCSQVGLSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H](CC1CC1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001258473544 985934201 /nfs/dbraw/zinc/93/42/01/985934201.db2.gz NKSKXIOMMNKXRW-OCCSQVGLSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H](CC1CC1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001258473544 985934215 /nfs/dbraw/zinc/93/42/15/985934215.db2.gz NKSKXIOMMNKXRW-OCCSQVGLSA-N 2 1 222.376 2.203 20 0 BEADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)CC3CC3)C[C@@H]2C1 ZINC001258471340 985939864 /nfs/dbraw/zinc/93/98/64/985939864.db2.gz ZERXJVPKXWGKGA-YUELXQCFSA-N 2 1 236.403 2.449 20 0 BEADMP CC[NH+](CC)c1ccc(-n2c[nH+]cc2N)cc1 ZINC001212969126 986085938 /nfs/dbraw/zinc/08/59/38/986085938.db2.gz OAPAUBNRWKHQBU-UHFFFAOYSA-N 2 1 230.315 2.301 20 0 BEADMP Cc1ccc(CCC[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC001579685527 986173220 /nfs/dbraw/zinc/17/32/20/986173220.db2.gz RUXXWDAYVHYNMJ-OAHLLOKOSA-N 2 1 232.371 2.351 20 0 BEADMP Cc1ccc(CCC[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC001579685527 986173231 /nfs/dbraw/zinc/17/32/31/986173231.db2.gz RUXXWDAYVHYNMJ-OAHLLOKOSA-N 2 1 232.371 2.351 20 0 BEADMP Cc1ccc(C[C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC001579684513 986179234 /nfs/dbraw/zinc/17/92/34/986179234.db2.gz HLRAOJPOAVNVHG-VNHYZAJKSA-N 2 1 232.371 2.124 20 0 BEADMP CC[C@H](C[C@@H](C)CC)[NH2+]CCC[N@@H+](C)CCO ZINC001258786955 986206192 /nfs/dbraw/zinc/20/61/92/986206192.db2.gz DAZCZUFGDAPCPU-UONOGXRCSA-N 2 1 244.423 2.105 20 0 BEADMP Cc1sccc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC001579937063 986357366 /nfs/dbraw/zinc/35/73/66/986357366.db2.gz IVNAPSHNCQIMEG-VXGBXAGGSA-N 2 1 224.373 2.416 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H]3C3CCC3)[C@H]2C1 ZINC001462674645 986506906 /nfs/dbraw/zinc/50/69/06/986506906.db2.gz YXXHIYMLCXKQJR-NPJQDHAYSA-N 2 1 248.414 2.495 20 0 BEADMP [NH3+][C@@H](C[NH2+]C[C@H]1CC=CCC1)CC(F)(F)F ZINC001580131371 986590478 /nfs/dbraw/zinc/59/04/78/986590478.db2.gz CNODZIQBEYMLQG-VHSXEESVSA-N 2 1 236.281 2.212 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+](CCCC(F)(F)F)CC1 ZINC000378662200 986620160 /nfs/dbraw/zinc/62/01/60/986620160.db2.gz CICVRJIECDUSOB-VIFPVBQESA-N 2 1 224.270 2.142 20 0 BEADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1ccc(CF)cc1)C2 ZINC001580157749 986632474 /nfs/dbraw/zinc/63/24/74/986632474.db2.gz LRGJACPGFUAPFV-LSDHHAIUSA-N 2 1 248.345 2.469 20 0 BEADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1ccc(CF)cc1)C2 ZINC001580157749 986632483 /nfs/dbraw/zinc/63/24/83/986632483.db2.gz LRGJACPGFUAPFV-LSDHHAIUSA-N 2 1 248.345 2.469 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC001254525086 986664427 /nfs/dbraw/zinc/66/44/27/986664427.db2.gz FZKAHYKBJWAHIH-NEPJUHHUSA-N 2 1 244.329 2.202 20 0 BEADMP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC001254525086 986664438 /nfs/dbraw/zinc/66/44/38/986664438.db2.gz FZKAHYKBJWAHIH-NEPJUHHUSA-N 2 1 244.329 2.202 20 0 BEADMP C[NH+]1CCC[C@@H]([N@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC001254525086 986664449 /nfs/dbraw/zinc/66/44/49/986664449.db2.gz FZKAHYKBJWAHIH-NEPJUHHUSA-N 2 1 244.329 2.202 20 0 BEADMP C[NH2+]Cc1ccc(N[C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254522082 986665639 /nfs/dbraw/zinc/66/56/39/986665639.db2.gz BNWPXGWRAULGPE-CQSZACIVSA-N 2 1 247.386 2.302 20 0 BEADMP [NH3+]CCCCCC[NH2+]Cc1ccc2nc[nH]c2c1 ZINC001580293249 986736889 /nfs/dbraw/zinc/73/68/89/986736889.db2.gz HYLOHKZUXJGSDK-UHFFFAOYSA-N 2 1 246.358 2.172 20 0 BEADMP Cc1ccc[nH+]c1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000382410194 986750010 /nfs/dbraw/zinc/75/00/10/986750010.db2.gz DHCPKZUYEJBQHW-WDEREUQCSA-N 2 1 205.305 2.072 20 0 BEADMP [NH3+]C[C@H]1CC[C@H](C[N@H+]2CCn3cccc3C2)CC1 ZINC001580331172 986770989 /nfs/dbraw/zinc/77/09/89/986770989.db2.gz GBMCPEUAVVMYSE-HDJSIYSDSA-N 2 1 247.386 2.069 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@@H](C)CC(F)(F)F ZINC001255632527 987035120 /nfs/dbraw/zinc/03/51/20/987035120.db2.gz AYUWWMHABFTHFQ-VIFPVBQESA-N 2 1 226.286 2.388 20 0 BEADMP C[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H]1F ZINC001256621942 987250775 /nfs/dbraw/zinc/25/07/75/987250775.db2.gz CABNHTQWGRCVKF-SYCZCVCYSA-N 2 1 240.366 2.292 20 0 BEADMP C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H]1F ZINC001256621942 987250783 /nfs/dbraw/zinc/25/07/83/987250783.db2.gz CABNHTQWGRCVKF-SYCZCVCYSA-N 2 1 240.366 2.292 20 0 BEADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H]1F ZINC001256621942 987250791 /nfs/dbraw/zinc/25/07/91/987250791.db2.gz CABNHTQWGRCVKF-SYCZCVCYSA-N 2 1 240.366 2.292 20 0 BEADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1F ZINC001256621942 987250802 /nfs/dbraw/zinc/25/08/02/987250802.db2.gz CABNHTQWGRCVKF-SYCZCVCYSA-N 2 1 240.366 2.292 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)[C@H]1C ZINC000697017861 987343589 /nfs/dbraw/zinc/34/35/89/987343589.db2.gz VAMPCPLXFRXPOG-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]1CCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000697041063 987346891 /nfs/dbraw/zinc/34/68/91/987346891.db2.gz KJOOQLGPFYHEDJ-QWHCGFSZSA-N 2 1 210.365 2.251 20 0 BEADMP CCC[N@@H+](C[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000697039774 987347099 /nfs/dbraw/zinc/34/70/99/987347099.db2.gz GVTCZXJJHKPKAC-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000697052756 987347865 /nfs/dbraw/zinc/34/78/65/987347865.db2.gz QJPMGXYWYNNUTE-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CC(F)(F)CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000697588437 987358421 /nfs/dbraw/zinc/35/84/21/987358421.db2.gz ZQGOJOJUKFQWLT-MXWKQRLJSA-N 2 1 232.318 2.233 20 0 BEADMP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCC=C(C)C ZINC000697624199 987362417 /nfs/dbraw/zinc/36/24/17/987362417.db2.gz YMSHQWIAZXPDRS-ZDUSSCGKSA-N 2 1 210.365 2.417 20 0 BEADMP C[NH2+]C[C@@H]1CCCC[N@H+]1CCC=C(C)C ZINC000697624199 987362426 /nfs/dbraw/zinc/36/24/26/987362426.db2.gz YMSHQWIAZXPDRS-ZDUSSCGKSA-N 2 1 210.365 2.417 20 0 BEADMP C[C@@H]1CC(F)(F)CC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000697640480 987362679 /nfs/dbraw/zinc/36/26/79/987362679.db2.gz GPYSLCKTCIYFSV-NEPJUHHUSA-N 2 1 246.345 2.496 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]CCCCCCCC[NH3+])C[NH2+]1 ZINC001246079526 987373306 /nfs/dbraw/zinc/37/33/06/987373306.db2.gz KPVSASALKWWMFN-KBPBESRZSA-N 3 1 241.423 2.016 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@@H]2Cc3cccc(F)c3C2)CN1 ZINC001246084579 987382095 /nfs/dbraw/zinc/38/20/95/987382095.db2.gz KUJHHGVNJOWGEW-WCFLWFBJSA-N 2 1 248.345 2.023 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@@H]2Cc3cccc(F)c3C2)C[NH2+]1 ZINC001246084579 987382096 /nfs/dbraw/zinc/38/20/96/987382096.db2.gz KUJHHGVNJOWGEW-WCFLWFBJSA-N 2 1 248.345 2.023 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001246095433 987406245 /nfs/dbraw/zinc/40/62/45/987406245.db2.gz IODWOOKTZVVCNE-DGTMBMJNSA-N 2 1 224.392 2.399 20 0 BEADMP CC(C)CC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246102001 987424930 /nfs/dbraw/zinc/42/49/30/987424930.db2.gz NYUJBOPHJMTHRI-JHJVBQTASA-N 2 1 212.381 2.399 20 0 BEADMP CC(C)COCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246116014 987454344 /nfs/dbraw/zinc/45/43/44/987454344.db2.gz CZHQDIYWQGAGFJ-MGPQQGTHSA-N 2 1 242.407 2.025 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001246119536 987463034 /nfs/dbraw/zinc/46/30/34/987463034.db2.gz VTNRKKQKYWYLII-NJMOYASZSA-N 2 1 222.376 2.009 20 0 BEADMP Cc1ccc(C[C@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001246121395 987469016 /nfs/dbraw/zinc/46/90/16/987469016.db2.gz YWSHWSBBCBUQGZ-ZFWWWQNUSA-N 2 1 232.371 2.268 20 0 BEADMP CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246129006 987478278 /nfs/dbraw/zinc/47/82/78/987478278.db2.gz FVAKCWKNMAMIBD-CABCVRRESA-N 2 1 244.382 2.349 20 0 BEADMP CC(C)CC[C@@H](C)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246127893 987479313 /nfs/dbraw/zinc/47/93/13/987479313.db2.gz CMIUNLFFJBWNMI-NEPJUHHUSA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246134413 987486519 /nfs/dbraw/zinc/48/65/19/987486519.db2.gz NDHXUZIVMAITLL-XUXIUFHCSA-N 2 1 224.392 2.399 20 0 BEADMP CCC[C@H](Cc1ccccc1)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246137703 987494366 /nfs/dbraw/zinc/49/43/66/987494366.db2.gz ZVNZPLWCANAFMB-XHSDSOJGSA-N 2 1 244.382 2.349 20 0 BEADMP CCCC[C@@H](CCC)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246135959 987495597 /nfs/dbraw/zinc/49/55/97/987495597.db2.gz SZLARAMIKLBHFX-XQQFMLRXSA-N 2 1 210.365 2.297 20 0 BEADMP CC[C@H](C)[C@@H](C)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001473732524 987538276 /nfs/dbraw/zinc/53/82/76/987538276.db2.gz SPYIJGZPECMIPW-WDEREUQCSA-N 2 1 233.359 2.457 20 0 BEADMP CC[C@H](C)[C@@H](C)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001473732524 987538280 /nfs/dbraw/zinc/53/82/80/987538280.db2.gz SPYIJGZPECMIPW-WDEREUQCSA-N 2 1 233.359 2.457 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C[NH2+]1 ZINC001246177762 987549675 /nfs/dbraw/zinc/54/96/75/987549675.db2.gz JUMSCYGFFJYKFD-AAEUAGOBSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)CCO1 ZINC001116465766 987593495 /nfs/dbraw/zinc/59/34/95/987593495.db2.gz XDKLSDWOSHDNKO-AAVRWANBSA-N 2 1 240.391 2.016 20 0 BEADMP Fc1ccc(CCCN[C@@H]2CCC[NH2+]C2)cc1 ZINC001246207746 987603072 /nfs/dbraw/zinc/60/30/72/987603072.db2.gz YKUYLLABTKWOPF-CQSZACIVSA-N 2 1 236.334 2.100 20 0 BEADMP Fc1ccc(CCC[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246207746 987603079 /nfs/dbraw/zinc/60/30/79/987603079.db2.gz YKUYLLABTKWOPF-CQSZACIVSA-N 2 1 236.334 2.100 20 0 BEADMP Cc1ccnc(CCC[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC001246240041 987638820 /nfs/dbraw/zinc/63/88/20/987638820.db2.gz LIYYFPIYDQFJIW-UKRRQHHQSA-N 2 1 247.386 2.053 20 0 BEADMP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccccn1 ZINC001246240605 987642319 /nfs/dbraw/zinc/64/23/19/987642319.db2.gz QYSKABQBKWTTAO-JHJVBQTASA-N 2 1 233.359 2.263 20 0 BEADMP Cc1cccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)n1 ZINC001246240360 987642844 /nfs/dbraw/zinc/64/28/44/987642844.db2.gz VXRMXLVVMWQECH-AVGNSLFASA-N 2 1 233.359 2.181 20 0 BEADMP CCC1([NH2+][C@@H]2CCC[NH2+]C2)CCCCC1 ZINC001246257242 987653129 /nfs/dbraw/zinc/65/31/29/987653129.db2.gz RVIIYEGGXHHSTA-GFCCVEGCSA-N 2 1 210.365 2.441 20 0 BEADMP CCCC[C@@H]1C[C@@H]([NH2+]CCC(C)(C)[NH3+])CC[NH2+]1 ZINC001246271907 987660721 /nfs/dbraw/zinc/66/07/21/987660721.db2.gz JGHCJVOMSDHPLH-OLZOCXBDSA-N 3 1 241.423 2.014 20 0 BEADMP C[C@H](C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(O)cc1 ZINC001246273547 987667048 /nfs/dbraw/zinc/66/70/48/987667048.db2.gz PKVJQTMTZQVFNI-BZPMIXESSA-N 2 1 248.370 2.226 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccn2)C2CC2)CC[NH2+]1 ZINC001246276230 987669434 /nfs/dbraw/zinc/66/94/34/987669434.db2.gz BUMODDKSPDTPNI-OSAQELSMSA-N 2 1 245.370 2.263 20 0 BEADMP CC(C)[C@@H]1C[C@H]1[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001474307846 987685741 /nfs/dbraw/zinc/68/57/41/987685741.db2.gz YIKCVEBFLVXOGJ-QWHCGFSZSA-N 2 1 233.359 2.282 20 0 BEADMP CC(C)[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001474307659 987685920 /nfs/dbraw/zinc/68/59/20/987685920.db2.gz VIWHEQYGXKTHAN-RWMBFGLXSA-N 2 1 224.392 2.493 20 0 BEADMP CC(=O)c1ccc([C@H](C)[NH2+]C2CC[NH2+]CC2)cc1 ZINC001246307806 987706620 /nfs/dbraw/zinc/70/66/20/987706620.db2.gz OPHBFDGTGRNZLV-NSHDSACASA-N 2 1 246.354 2.292 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1cccc(O)c1 ZINC001246310766 987711414 /nfs/dbraw/zinc/71/14/14/987711414.db2.gz VKOBLRYIUQSSFG-GMXVVIOVSA-N 2 1 234.343 2.183 20 0 BEADMP CC[C@@H]1CC[C@@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC001246329204 987734127 /nfs/dbraw/zinc/73/41/27/987734127.db2.gz MGYDQZSXIYEYTJ-LOWDOPEQSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1CC([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C[C@@H](C)C1 ZINC001246331268 987737410 /nfs/dbraw/zinc/73/74/10/987737410.db2.gz NUFNGLGMBXHAMO-MNXVOIDGSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CCCCCCCCO)C[NH2+]1 ZINC001246345046 987753942 /nfs/dbraw/zinc/75/39/42/987753942.db2.gz VACOVGSNOTYDHN-KGLIPLIRSA-N 2 1 242.407 2.049 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C[NH2+]1 ZINC001246349841 987761187 /nfs/dbraw/zinc/76/11/87/987761187.db2.gz WKXVYZWHHYLJEN-AAEUAGOBSA-N 2 1 243.354 2.050 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc3[nH]ccc3c2)C[NH2+]1 ZINC001246366057 987771310 /nfs/dbraw/zinc/77/13/10/987771310.db2.gz PYBMTTYJAXTCME-BXUZGUMPSA-N 2 1 243.354 2.050 20 0 BEADMP Cc1cc2c(cn1)[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC001246374788 987774753 /nfs/dbraw/zinc/77/47/53/987774753.db2.gz VHPZQGRCDWQGEM-CORIIIEPSA-N 2 1 245.370 2.107 20 0 BEADMP C([NH2+][C@H]1CCC[NH2+]C1)C1(CC2CCC2)CC1 ZINC001246376129 987775983 /nfs/dbraw/zinc/77/59/83/987775983.db2.gz LXGLTVWWYVVGFN-ZDUSSCGKSA-N 2 1 222.376 2.298 20 0 BEADMP Cc1cccc(C(C)(C)C[NH2+][C@@H]2CCC[NH2+]C2)n1 ZINC001246394414 987784530 /nfs/dbraw/zinc/78/45/30/987784530.db2.gz ZSJINXJIRPELLR-CYBMUJFWSA-N 2 1 247.386 2.009 20 0 BEADMP Fc1ccc([C@@H]([NH2+]C2CC[NH2+]CC2)C2CC2)nc1 ZINC001246405839 987789268 /nfs/dbraw/zinc/78/92/68/987789268.db2.gz MUNROYCEFHYJCA-AWEZNQCLSA-N 2 1 249.333 2.013 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCc3ccccc32)C[NH2+]1 ZINC001246422465 987794793 /nfs/dbraw/zinc/79/47/93/987794793.db2.gz WZJVBNZTOIQKQX-VHDGCEQUSA-N 2 1 244.382 2.447 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CC2(CC3CC3)CC2)C[NH2+]1 ZINC001246429662 987796745 /nfs/dbraw/zinc/79/67/45/987796745.db2.gz CGQMDKXYECRAEE-DGCLKSJQSA-N 2 1 222.376 2.297 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C(C)(C)Cc2ccccn2)C[NH2+]1 ZINC001246432886 987799524 /nfs/dbraw/zinc/79/95/24/987799524.db2.gz IQGJDGDIMIOZHD-TZMCWYRMSA-N 2 1 247.386 2.133 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](CF)C2)CC1 ZINC001474683583 987800277 /nfs/dbraw/zinc/80/02/77/987800277.db2.gz NEPUKLPSWYLYNE-ZDUSSCGKSA-N 2 1 228.355 2.010 20 0 BEADMP FC1(F)CCC[C@@H](C[NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001246438465 987800830 /nfs/dbraw/zinc/80/08/30/987800830.db2.gz YBGTZWUBQLBIPG-MNOVXSKESA-N 2 1 232.318 2.154 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](CF)C2)CC1 ZINC001474683582 987801368 /nfs/dbraw/zinc/80/13/68/987801368.db2.gz NEPUKLPSWYLYNE-CYBMUJFWSA-N 2 1 228.355 2.010 20 0 BEADMP [NH3+]CCC[NH2+]CCC[NH2+]C1CCCCCCC1 ZINC001246450892 987805575 /nfs/dbraw/zinc/80/55/75/987805575.db2.gz DHOWXBDSFHMWGT-UHFFFAOYSA-N 3 1 241.423 2.017 20 0 BEADMP CC(C)=CCC[C@@H](C)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246452736 987810486 /nfs/dbraw/zinc/81/04/86/987810486.db2.gz LZEPOUBXMOBZJG-CQSZACIVSA-N 3 1 241.423 2.039 20 0 BEADMP CC(C)CCC[C@H](C)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246456141 987814143 /nfs/dbraw/zinc/81/41/43/987814143.db2.gz ZLKUWUKXLCTQDB-AWEZNQCLSA-N 3 1 243.439 2.119 20 0 BEADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]C2C[C@@H](C)C[C@H](C)C2)C1 ZINC001246490510 987844653 /nfs/dbraw/zinc/84/46/53/987844653.db2.gz CSACSSPBWCYWDH-FMSGJZPZSA-N 2 1 224.392 2.399 20 0 BEADMP CC(C)CC[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC001246497073 987854173 /nfs/dbraw/zinc/85/41/73/987854173.db2.gz NZPVIIXVTNZTJC-UPJWGTAASA-N 2 1 212.381 2.399 20 0 BEADMP CC1(C)CCC([N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)CC1 ZINC001246530823 987887153 /nfs/dbraw/zinc/88/71/53/987887153.db2.gz CDCVEEOVDUXIEO-GFCCVEGCSA-N 2 1 222.376 2.378 20 0 BEADMP CC1(C)CCC([N@H+]2C[C@@H]([NH3+])C3(CC3)C2)CC1 ZINC001246530823 987887155 /nfs/dbraw/zinc/88/71/55/987887155.db2.gz CDCVEEOVDUXIEO-GFCCVEGCSA-N 2 1 222.376 2.378 20 0 BEADMP CC[C@@H](Cc1ccccc1)[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246531761 987891104 /nfs/dbraw/zinc/89/11/04/987891104.db2.gz FJCLRNLHSGVECJ-LSDHHAIUSA-N 2 1 244.382 2.431 20 0 BEADMP CC[C@@H](Cc1ccccc1)[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246531761 987891108 /nfs/dbraw/zinc/89/11/08/987891108.db2.gz FJCLRNLHSGVECJ-LSDHHAIUSA-N 2 1 244.382 2.431 20 0 BEADMP [NH3+][C@@H]1CCC[N@H+]([C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001246542995 987908482 /nfs/dbraw/zinc/90/84/82/987908482.db2.gz QWZBYFANCUUZIX-CHWSQXEVSA-N 2 1 248.345 2.106 20 0 BEADMP CCCCC[C@H](CCC)[N@@H+]1C[C@H]([NH3+])C[C@H](O)C1 ZINC001246541594 987908692 /nfs/dbraw/zinc/90/86/92/987908692.db2.gz OYPKEPAQTSKJAV-RDBSUJKOSA-N 2 1 242.407 2.129 20 0 BEADMP CCCCC[C@H](CCC)[N@H+]1C[C@H]([NH3+])C[C@H](O)C1 ZINC001246541594 987908699 /nfs/dbraw/zinc/90/86/99/987908699.db2.gz OYPKEPAQTSKJAV-RDBSUJKOSA-N 2 1 242.407 2.129 20 0 BEADMP CCCCCC[C@H](CC)[N@H+]1C[C@H](O)C[C@H]([NH3+])C1 ZINC001246542444 987912475 /nfs/dbraw/zinc/91/24/75/987912475.db2.gz QIPSQXLMDLGGSY-MELADBBJSA-N 2 1 242.407 2.129 20 0 BEADMP CCCCCC[C@H](CC)[N@@H+]1C[C@H](O)C[C@H]([NH3+])C1 ZINC001246542444 987912482 /nfs/dbraw/zinc/91/24/82/987912482.db2.gz QIPSQXLMDLGGSY-MELADBBJSA-N 2 1 242.407 2.129 20 0 BEADMP CCCCCC[C@H](CC)[N@@H+]1C[C@H]([NH3+])C[C@@H](O)C1 ZINC001246542440 987913235 /nfs/dbraw/zinc/91/32/35/987913235.db2.gz QIPSQXLMDLGGSY-HZSPNIEDSA-N 2 1 242.407 2.129 20 0 BEADMP CCCCCC[C@H](CC)[N@H+]1C[C@H]([NH3+])C[C@@H](O)C1 ZINC001246542440 987913248 /nfs/dbraw/zinc/91/32/48/987913248.db2.gz QIPSQXLMDLGGSY-HZSPNIEDSA-N 2 1 242.407 2.129 20 0 BEADMP C[C@@H](Cc1ccncc1)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246548391 987926389 /nfs/dbraw/zinc/92/63/89/987926389.db2.gz GKXQUCGGILPRRI-ZFWWWQNUSA-N 2 1 247.386 2.216 20 0 BEADMP CC[C@@H]1CC[C@@H]([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)C1 ZINC001246547746 987929832 /nfs/dbraw/zinc/92/98/32/987929832.db2.gz NBRVWLZDDNQPIM-UMSGYPCISA-N 2 1 210.365 2.092 20 0 BEADMP C[C@@H](Cc1ccco1)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246547896 987931218 /nfs/dbraw/zinc/93/12/18/987931218.db2.gz CZWUYTFNVDVXFN-JSGCOSHPSA-N 2 1 236.359 2.414 20 0 BEADMP C[C@@H](Cc1ccccn1)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246553086 987952844 /nfs/dbraw/zinc/95/28/44/987952844.db2.gz QWIAFTSRSYVGNQ-DZGCQCFKSA-N 2 1 247.386 2.216 20 0 BEADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CCO1 ZINC001246551689 987955703 /nfs/dbraw/zinc/95/57/03/987955703.db2.gz MKFQZNDFZPNPCM-MGPQQGTHSA-N 2 1 240.391 2.147 20 0 BEADMP CC1(C)CC[C@@H]([N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)C1 ZINC001246553305 987958332 /nfs/dbraw/zinc/95/83/32/987958332.db2.gz AUEMDAXSVSUTQF-GHMZBOCLSA-N 2 1 246.345 2.481 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(Cl)cs1 ZINC001117953452 987966421 /nfs/dbraw/zinc/96/64/21/987966421.db2.gz HIBPQOMEMYOJTM-QMMMGPOBSA-N 2 1 232.780 2.489 20 0 BEADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)CC[C@H]1C[NH3+] ZINC001246561419 987994999 /nfs/dbraw/zinc/99/49/99/987994999.db2.gz SLTVLHYHBFMFMJ-XHJNMGKDSA-N 2 1 222.376 2.092 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC001118059121 987997774 /nfs/dbraw/zinc/99/77/74/987997774.db2.gz OIULIVFLPVAGGF-NEPJUHHUSA-N 2 1 238.379 2.113 20 0 BEADMP CCSC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246563591 988009714 /nfs/dbraw/zinc/00/97/14/988009714.db2.gz RZQZVGUMTJUMJC-AGIUHOORSA-N 2 1 244.448 2.435 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC001246567926 988033057 /nfs/dbraw/zinc/03/30/57/988033057.db2.gz NELLSDZIAPVAML-MQYQWHSLSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H](Cc1ccco1)[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246568180 988039716 /nfs/dbraw/zinc/03/97/16/988039716.db2.gz MGSCWYQNSVBJFA-FRRDWIJNSA-N 2 1 236.359 2.270 20 0 BEADMP C[C@@H](Cc1ccco1)[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246568180 988039731 /nfs/dbraw/zinc/03/97/31/988039731.db2.gz MGSCWYQNSVBJFA-FRRDWIJNSA-N 2 1 236.359 2.270 20 0 BEADMP C[C@@]1(F)CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246570960 988048277 /nfs/dbraw/zinc/04/82/77/988048277.db2.gz BYQFCCHESVNQIN-ZGVCCVRISA-N 2 1 226.339 2.093 20 0 BEADMP C[C@@]1(F)CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246570960 988048292 /nfs/dbraw/zinc/04/82/92/988048292.db2.gz BYQFCCHESVNQIN-ZGVCCVRISA-N 2 1 226.339 2.093 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CCO1 ZINC001246576612 988080891 /nfs/dbraw/zinc/08/08/91/988080891.db2.gz LTSHHWBNKMLITL-HZSPNIEDSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@]1(C[NH3+])CCCC[N@H+](C2CCSCC2)C1 ZINC001246579709 988101930 /nfs/dbraw/zinc/10/19/30/988101930.db2.gz GPLRYBNYTMVHLH-ZDUSSCGKSA-N 2 1 242.432 2.333 20 0 BEADMP C[C@@H]1CCC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)C1 ZINC001246589509 988152353 /nfs/dbraw/zinc/15/23/53/988152353.db2.gz SFWYWCVMCRFTGR-YVECIDJPSA-N 2 1 228.355 2.326 20 0 BEADMP C[C@@H]1CCC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)C1 ZINC001246589509 988152364 /nfs/dbraw/zinc/15/23/64/988152364.db2.gz SFWYWCVMCRFTGR-YVECIDJPSA-N 2 1 228.355 2.326 20 0 BEADMP C[C@H](Cc1ccncc1)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246590583 988170821 /nfs/dbraw/zinc/17/08/21/988170821.db2.gz HHTRHMIAFNEUCN-HIFRSBDPSA-N 2 1 247.386 2.073 20 0 BEADMP C[NH2+]CC1C[NH+]([C@H](C)CCc2ccc(C)cc2)C1 ZINC001246593163 988180721 /nfs/dbraw/zinc/18/07/21/988180721.db2.gz AMQLHXZCHZGUSK-CQSZACIVSA-N 2 1 246.398 2.467 20 0 BEADMP CCOCC[C@H](C)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246595224 988183931 /nfs/dbraw/zinc/18/39/31/988183931.db2.gz SHSOHVYPPUUEDK-KBPBESRZSA-N 2 1 242.407 2.252 20 0 BEADMP CCOCC[C@@H](C)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246595226 988190792 /nfs/dbraw/zinc/19/07/92/988190792.db2.gz SHSOHVYPPUUEDK-KGLIPLIRSA-N 2 1 242.407 2.252 20 0 BEADMP CCOCC[C@@H](C)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246613406 988247180 /nfs/dbraw/zinc/24/71/80/988247180.db2.gz ZDXWKRBGOBWYOT-KGLIPLIRSA-N 2 1 240.391 2.020 20 0 BEADMP FC1(F)CC2(C1)CC[NH+](C1CC[NH2+]CC1)CC2 ZINC001246622743 988266195 /nfs/dbraw/zinc/26/61/95/988266195.db2.gz INBIVAMICCUXED-UHFFFAOYSA-N 2 1 244.329 2.250 20 0 BEADMP CC[C@@H](CC(C)C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246634123 988277104 /nfs/dbraw/zinc/27/71/04/988277104.db2.gz AIQIMIYWYPRPJE-RWMBFGLXSA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)CC[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246629669 988301859 /nfs/dbraw/zinc/30/18/59/988301859.db2.gz ZFUOFMZDLTUJEP-HZSPNIEDSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)C[NH2+]1 ZINC001246640477 988340671 /nfs/dbraw/zinc/34/06/71/988340671.db2.gz UONSFSKAHKTOKM-WISYIIOYSA-N 2 1 244.329 2.104 20 0 BEADMP CCCCC[C@@H](CC)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246642865 988344573 /nfs/dbraw/zinc/34/45/73/988344573.db2.gz DROMRVAZDMTHJH-XQQFMLRXSA-N 2 1 210.365 2.378 20 0 BEADMP CCCCC[C@@H](CC)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246642865 988344582 /nfs/dbraw/zinc/34/45/82/988344582.db2.gz DROMRVAZDMTHJH-XQQFMLRXSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@@H](CC1CC1)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246640754 988350302 /nfs/dbraw/zinc/35/03/02/988350302.db2.gz CEZCTYCLBNGAET-GXTWGEPZSA-N 2 1 222.376 2.393 20 0 BEADMP CC(C)=CCC[C@@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246644319 988357070 /nfs/dbraw/zinc/35/70/70/988357070.db2.gz FRKILGGDUFEDNF-HZSPNIEDSA-N 2 1 222.376 2.415 20 0 BEADMP CC(C)=CCC[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246644319 988357087 /nfs/dbraw/zinc/35/70/87/988357087.db2.gz FRKILGGDUFEDNF-HZSPNIEDSA-N 2 1 222.376 2.415 20 0 BEADMP CC[C@H](CC(C)C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246647324 988361184 /nfs/dbraw/zinc/36/11/84/988361184.db2.gz KLKSKHSCSZQZIG-HZSPNIEDSA-N 2 1 224.392 2.352 20 0 BEADMP C1[C@@H]2C[C@@H]([N@H+]3CCCC[C@@]34CC[NH2+]C4)C[C@H]12 ZINC001246645851 988366214 /nfs/dbraw/zinc/36/62/14/988366214.db2.gz WSKZRICTSLUXDG-CRWXNKLISA-N 2 1 220.360 2.003 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H]1C ZINC001246647332 988366872 /nfs/dbraw/zinc/36/68/72/988366872.db2.gz KROHLJIPCZFNHG-ARILJUKYSA-N 2 1 236.403 2.352 20 0 BEADMP CC(C)CCC[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246648677 988370282 /nfs/dbraw/zinc/37/02/82/988370282.db2.gz ZRRFMHNIOMSPFJ-MELADBBJSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)CCC[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246648677 988370288 /nfs/dbraw/zinc/37/02/88/988370288.db2.gz ZRRFMHNIOMSPFJ-MELADBBJSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)CC(CC(C)C)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246648701 988373895 /nfs/dbraw/zinc/37/38/95/988373895.db2.gz YVOVVPIKIRHYPL-JSGCOSHPSA-N 2 1 224.392 2.480 20 0 BEADMP CC(C)CC(CC(C)C)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246648701 988373907 /nfs/dbraw/zinc/37/39/07/988373907.db2.gz YVOVVPIKIRHYPL-JSGCOSHPSA-N 2 1 224.392 2.480 20 0 BEADMP CC[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246654335 988377341 /nfs/dbraw/zinc/37/73/41/988377341.db2.gz KARGKMPFJVUQKI-ARFHVFGLSA-N 2 1 244.382 2.431 20 0 BEADMP CCC[C@H](Cc1ccccc1)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246653855 988377916 /nfs/dbraw/zinc/37/79/16/988377916.db2.gz AOGLKUOMMWXMKW-WCVJEAGWSA-N 2 1 244.382 2.287 20 0 BEADMP CC(C)CC[C@@H](C)[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246650463 988379375 /nfs/dbraw/zinc/37/93/75/988379375.db2.gz IMQNUATYJROIPZ-FRRDWIJNSA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)CC[C@@H](C)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246650463 988379389 /nfs/dbraw/zinc/37/93/89/988379389.db2.gz IMQNUATYJROIPZ-FRRDWIJNSA-N 2 1 210.365 2.105 20 0 BEADMP CCCC(CCC)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246651966 988380157 /nfs/dbraw/zinc/38/01/57/988380157.db2.gz NBPIGOWQGDYMQG-WCQYABFASA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)CC[C@@H](C)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246657310 988383205 /nfs/dbraw/zinc/38/32/05/988383205.db2.gz LKPHPUNAQOIBGT-MCIONIFRSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CC[NH2+]1 ZINC001246656401 988385581 /nfs/dbraw/zinc/38/55/81/988385581.db2.gz NOJKRZHMJRVRJY-KKOKHZNYSA-N 2 1 244.329 2.104 20 0 BEADMP CCC[C@@H](CC)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246659317 988391279 /nfs/dbraw/zinc/39/12/79/988391279.db2.gz RMUMLZSMRSZOPA-UPJWGTAASA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246661411 988396964 /nfs/dbraw/zinc/39/69/64/988396964.db2.gz WVMYHYMFPFBHBB-QSLWVIQJSA-N 2 1 224.392 2.336 20 0 BEADMP CC(C)CCC[C@H](C)[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001246669874 988409517 /nfs/dbraw/zinc/40/95/17/988409517.db2.gz CFOHPPNMUVQRHY-IHRRRGAJSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CCC[C@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC001246666677 988409814 /nfs/dbraw/zinc/40/98/14/988409814.db2.gz RPOBIGCGUMYTCB-YIYPIFLZSA-N 2 1 222.376 2.378 20 0 BEADMP CC(C)CCC[C@H](C)[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001246669876 988414880 /nfs/dbraw/zinc/41/48/80/988414880.db2.gz CFOHPPNMUVQRHY-MJBXVCDLSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3C[NH2+]CC[C@H]32)CC(C)(C)C1 ZINC001246672751 988415780 /nfs/dbraw/zinc/41/57/80/988415780.db2.gz LGJIRXWEVMKIAM-YIYPIFLZSA-N 2 1 236.403 2.495 20 0 BEADMP CC[C@H](CC(C)C)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246789222 988467125 /nfs/dbraw/zinc/46/71/25/988467125.db2.gz CFXRUDAGLXEZCE-CYBMUJFWSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@H+](Cc1cccnc1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246809023 988488964 /nfs/dbraw/zinc/48/89/64/988488964.db2.gz WIJFFUYEPGDFTM-TZMCWYRMSA-N 2 1 233.359 2.044 20 0 BEADMP CC[N@@H+](Cc1cccnc1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246809023 988488973 /nfs/dbraw/zinc/48/89/73/988488973.db2.gz WIJFFUYEPGDFTM-TZMCWYRMSA-N 2 1 233.359 2.044 20 0 BEADMP CC[N@H+](Cc1cccnc1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246809021 988491831 /nfs/dbraw/zinc/49/18/31/988491831.db2.gz WIJFFUYEPGDFTM-JSGCOSHPSA-N 2 1 233.359 2.044 20 0 BEADMP CC[N@@H+](Cc1cccnc1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246809021 988491841 /nfs/dbraw/zinc/49/18/41/988491841.db2.gz WIJFFUYEPGDFTM-JSGCOSHPSA-N 2 1 233.359 2.044 20 0 BEADMP C1CC[C@H]2C[N@H+]([C@@H]3CCC[NH2+]C3)CC[C@H]2C1 ZINC001246833765 988529258 /nfs/dbraw/zinc/52/92/58/988529258.db2.gz ICLNTGGGMVODTQ-HZSPNIEDSA-N 2 1 222.376 2.251 20 0 BEADMP CC(C)CC[C@H](C)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001246842692 988548890 /nfs/dbraw/zinc/54/88/90/988548890.db2.gz DAGDJKVRDDUYOU-MJBXVCDLSA-N 2 1 224.392 2.352 20 0 BEADMP CC[C@H](CC(C)C)[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001246842851 988549843 /nfs/dbraw/zinc/54/98/43/988549843.db2.gz DZLBQQYOQMZFTN-MGPQQGTHSA-N 2 1 224.392 2.352 20 0 BEADMP CCCC(CCC)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001246846428 988558187 /nfs/dbraw/zinc/55/81/87/988558187.db2.gz NPDAZVZRNKDCEM-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246850258 988563078 /nfs/dbraw/zinc/56/30/78/988563078.db2.gz BWOUWYNYSLOQBZ-XUXIUFHCSA-N 2 1 240.391 2.003 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246850258 988563089 /nfs/dbraw/zinc/56/30/89/988563089.db2.gz BWOUWYNYSLOQBZ-XUXIUFHCSA-N 2 1 240.391 2.003 20 0 BEADMP CC[C@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246851174 988568621 /nfs/dbraw/zinc/56/86/21/988568621.db2.gz YSHLPAJQSFDQCS-FRRDWIJNSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)C[C@@H]1C ZINC001246856435 988578008 /nfs/dbraw/zinc/57/80/08/988578008.db2.gz XCGMYMWJYUBWPS-QMVSFRDZSA-N 2 1 222.376 2.234 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)C[C@H]1C ZINC001246856430 988580329 /nfs/dbraw/zinc/58/03/29/988580329.db2.gz XCGMYMWJYUBWPS-PEBLQZBPSA-N 2 1 222.376 2.234 20 0 BEADMP CC1(C)CCC([N@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246859857 988584363 /nfs/dbraw/zinc/58/43/63/988584363.db2.gz KWMLIRXMHSHVCQ-RISCZKNCSA-N 2 1 222.376 2.378 20 0 BEADMP CCC1CCC([N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246860161 988599580 /nfs/dbraw/zinc/59/95/80/988599580.db2.gz MBBOTDGVSZQUBK-GNRIBBGQSA-N 2 1 222.376 2.378 20 0 BEADMP C[C@@H]1CCC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)C1 ZINC001246867589 988617086 /nfs/dbraw/zinc/61/70/86/988617086.db2.gz PMPOMMLRPUTAOX-RFGFWPKPSA-N 2 1 222.376 2.249 20 0 BEADMP CC[C@@H](CC(C)C)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC001246866134 988618974 /nfs/dbraw/zinc/61/89/74/988618974.db2.gz ZXTQXFAZDOEERL-OLZOCXBDSA-N 2 1 212.381 2.352 20 0 BEADMP CCCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246867040 988619812 /nfs/dbraw/zinc/61/98/12/988619812.db2.gz MZVDKJSAULNGEA-AGIUHOORSA-N 2 1 210.365 2.249 20 0 BEADMP C[NH2+]CC[C@H](C)[N@H+]1Cc2ccccc2C[C@H]1C ZINC001246874050 988635435 /nfs/dbraw/zinc/63/54/35/988635435.db2.gz UVBNDJVPWHJJTD-QWHCGFSZSA-N 2 1 232.371 2.431 20 0 BEADMP CC(C)CC(CC(C)C)[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246876328 988641879 /nfs/dbraw/zinc/64/18/79/988641879.db2.gz YVOVVPIKIRHYPL-TZMCWYRMSA-N 2 1 224.392 2.480 20 0 BEADMP CC(C)CC(CC(C)C)[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246876328 988641892 /nfs/dbraw/zinc/64/18/92/988641892.db2.gz YVOVVPIKIRHYPL-TZMCWYRMSA-N 2 1 224.392 2.480 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC(C)(C)C1 ZINC001246874902 988645416 /nfs/dbraw/zinc/64/54/16/988645416.db2.gz WPNCAVJSHJVQDL-NRWUCQMLSA-N 2 1 222.376 2.234 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC(C)(C)C1 ZINC001246874902 988645426 /nfs/dbraw/zinc/64/54/26/988645426.db2.gz WPNCAVJSHJVQDL-NRWUCQMLSA-N 2 1 222.376 2.234 20 0 BEADMP CC[C@@H](C)OCC[C@@H](C)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246906861 988679241 /nfs/dbraw/zinc/67/92/41/988679241.db2.gz BPAHRCAQOGYXJF-JHJVBQTASA-N 2 1 228.380 2.003 20 0 BEADMP CC[C@@H](C)OCC[C@@H](C)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246906861 988679249 /nfs/dbraw/zinc/67/92/49/988679249.db2.gz BPAHRCAQOGYXJF-JHJVBQTASA-N 2 1 228.380 2.003 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246906862 988680763 /nfs/dbraw/zinc/68/07/63/988680763.db2.gz BPAHRCAQOGYXJF-RWMBFGLXSA-N 2 1 228.380 2.003 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246906862 988680772 /nfs/dbraw/zinc/68/07/72/988680772.db2.gz BPAHRCAQOGYXJF-RWMBFGLXSA-N 2 1 228.380 2.003 20 0 BEADMP CC(C)OC1CCC([N@@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC001246918954 988726685 /nfs/dbraw/zinc/72/66/85/988726685.db2.gz YRNHXHVHQUGPCE-ROKHWSDSSA-N 2 1 240.391 2.146 20 0 BEADMP CC(C)OC1CCC([N@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC001246918954 988726701 /nfs/dbraw/zinc/72/67/01/988726701.db2.gz YRNHXHVHQUGPCE-ROKHWSDSSA-N 2 1 240.391 2.146 20 0 BEADMP CC(C)C1CCC([N@@H+]2C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246921245 988728075 /nfs/dbraw/zinc/72/80/75/988728075.db2.gz RTPVMOCXZQQQOW-FKZOYECMSA-N 2 1 222.376 2.105 20 0 BEADMP CC(C)C1CCC([N@H+]2C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246921245 988728088 /nfs/dbraw/zinc/72/80/88/988728088.db2.gz RTPVMOCXZQQQOW-FKZOYECMSA-N 2 1 222.376 2.105 20 0 BEADMP CCCCC[C@H](CC)[N@@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246988938 988822492 /nfs/dbraw/zinc/82/24/92/988822492.db2.gz KWCPVCGPCPMGRN-STQMWFEESA-N 2 1 240.391 2.005 20 0 BEADMP CCCCC[C@H](CC)[N@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246988938 988822502 /nfs/dbraw/zinc/82/25/02/988822502.db2.gz KWCPVCGPCPMGRN-STQMWFEESA-N 2 1 240.391 2.005 20 0 BEADMP C[C@H](Cc1ccco1)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247015644 988841923 /nfs/dbraw/zinc/84/19/23/988841923.db2.gz PHKFDDPLWJJLBK-IPYPFGDCSA-N 2 1 248.370 2.285 20 0 BEADMP C[C@H](Cc1ccco1)[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247015644 988841925 /nfs/dbraw/zinc/84/19/25/988841925.db2.gz PHKFDDPLWJJLBK-IPYPFGDCSA-N 2 1 248.370 2.285 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cnc(C(C)C)s1 ZINC001325269499 989136892 /nfs/dbraw/zinc/13/68/92/989136892.db2.gz YMTDSFBCAMJFSI-JTQLQIEISA-N 2 1 241.404 2.354 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccccc1Cl ZINC001325625937 989218013 /nfs/dbraw/zinc/21/80/13/989218013.db2.gz OAJFQPVBIUQVSS-JTQLQIEISA-N 2 1 226.751 2.428 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cnc(C)s1 ZINC001325742071 989247656 /nfs/dbraw/zinc/24/76/56/989247656.db2.gz ASGRXNGUUXXJKQ-BDAKNGLRSA-N 2 1 227.377 2.100 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cnc(C)s1 ZINC001325742074 989248646 /nfs/dbraw/zinc/24/86/46/989248646.db2.gz ASGRXNGUUXXJKQ-RKDXNWHRSA-N 2 1 227.377 2.100 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2(Cl)CC2)C1 ZINC001119623188 989254496 /nfs/dbraw/zinc/25/44/96/989254496.db2.gz FWZKVHVFIQLMFM-RYUDHWBXSA-N 2 1 244.810 2.468 20 0 BEADMP C[C@@H]1CC([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C[C@@H](C)C1 ZINC001258169137 991064223 /nfs/dbraw/zinc/06/42/23/991064223.db2.gz USXDQRYXSJLCJA-XDQVBPFNSA-N 2 1 236.403 2.305 20 0 BEADMP C[C@@H]1CC([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C[C@@H](C)C1 ZINC001258169137 991064232 /nfs/dbraw/zinc/06/42/32/991064232.db2.gz USXDQRYXSJLCJA-XDQVBPFNSA-N 2 1 236.403 2.305 20 0 BEADMP C[C@@H]1CC([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C[C@@H](C)C1 ZINC001258169137 991064237 /nfs/dbraw/zinc/06/42/37/991064237.db2.gz USXDQRYXSJLCJA-XDQVBPFNSA-N 2 1 236.403 2.305 20 0 BEADMP CC(C)[N@@H+](CCC[NH3+])[C@@H](C)Cc1ccco1 ZINC001258176455 991073035 /nfs/dbraw/zinc/07/30/35/991073035.db2.gz VYEADXLWBIEPHD-LBPRGKRZSA-N 2 1 224.348 2.270 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@H](C)Cc1ccco1 ZINC001258176412 991076302 /nfs/dbraw/zinc/07/63/02/991076302.db2.gz UPAAOARQUZGKEL-GFCCVEGCSA-N 2 1 224.348 2.271 20 0 BEADMP C[C@@H](Cc1ccco1)n1cc[nH+]c1CCC[NH3+] ZINC001258185156 991090610 /nfs/dbraw/zinc/09/06/10/991090610.db2.gz LTKYMBXYVLBQBN-NSHDSACASA-N 2 1 233.315 2.171 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@@H](C)CCSC ZINC001258200853 991119536 /nfs/dbraw/zinc/11/95/36/991119536.db2.gz XSRXJXOSJVKQJS-NSHDSACASA-N 2 1 218.410 2.189 20 0 BEADMP CSC(C)(C)C[C@@H](C)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC001258321843 991249190 /nfs/dbraw/zinc/24/91/90/991249190.db2.gz RYQNWXGVYYURQU-GHMZBOCLSA-N 2 1 230.421 2.330 20 0 BEADMP CSC(C)(C)C[C@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001258335131 991259078 /nfs/dbraw/zinc/25/90/78/991259078.db2.gz XFIUVFMPDHFRIB-QWRGUYRKSA-N 2 1 232.437 2.433 20 0 BEADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CCC(C)(C)C1 ZINC001258593002 991492747 /nfs/dbraw/zinc/49/27/47/991492747.db2.gz IUKWBTMACCFXCF-NSHDSACASA-N 2 1 221.348 2.444 20 0 BEADMP C[C@@H](Cc1cccnc1)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001258613197 991535454 /nfs/dbraw/zinc/53/54/54/991535454.db2.gz LFBKMGKZFBDRFR-DZGCQCFKSA-N 2 1 247.386 2.087 20 0 BEADMP C[C@@H](Cc1cccnc1)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001258612446 991537227 /nfs/dbraw/zinc/53/72/27/991537227.db2.gz WYOZJSHDQZBAIX-GRTSSRMGSA-N 2 1 247.386 2.214 20 0 BEADMP C[C@H](CC1CCC1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001561052482 991704055 /nfs/dbraw/zinc/70/40/55/991704055.db2.gz BZENTAHWHLDEKX-UQOMUDLDSA-N 2 1 236.403 2.495 20 0 BEADMP CCC[NH+]1CCC([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC1 ZINC001258776067 991744671 /nfs/dbraw/zinc/74/46/71/991744671.db2.gz RLLLPWXVPHLHOJ-ZSOGYDGISA-N 2 1 240.366 2.008 20 0 BEADMP C[C@@H]1CCC[C@H]([N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)C1 ZINC001258827011 991850501 /nfs/dbraw/zinc/85/05/01/991850501.db2.gz GJJRVLBQMOLHMB-APIJFGDWSA-N 2 1 236.403 2.449 20 0 BEADMP C[C@@H]1CCC[C@@H]([N@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001258828075 991855738 /nfs/dbraw/zinc/85/57/38/991855738.db2.gz YPLXDCFAYAHLJM-CHWSQXEVSA-N 2 1 233.359 2.320 20 0 BEADMP C[C@@H]1CCC[C@@H]([N@@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001258828075 991855741 /nfs/dbraw/zinc/85/57/41/991855741.db2.gz YPLXDCFAYAHLJM-CHWSQXEVSA-N 2 1 233.359 2.320 20 0 BEADMP CS[C@@H]1CC[C@@H]([N@@H+](C)CCn2ccnc2)C1 ZINC001319441772 991870103 /nfs/dbraw/zinc/87/01/03/991870103.db2.gz CSCLBPBDZVKHHN-VXGBXAGGSA-N 2 1 239.388 2.099 20 0 BEADMP CC[C@H](Cc1ccccc1)[NH2+]C(C)(C)C[NH3+] ZINC001258838406 991873215 /nfs/dbraw/zinc/87/32/15/991873215.db2.gz XWNJLSISUINCBX-CYBMUJFWSA-N 2 1 220.360 2.335 20 0 BEADMP CC[C@@H](Cc1ccccc1)[NH2+]C1(C[NH3+])CC1 ZINC001258843380 991876004 /nfs/dbraw/zinc/87/60/04/991876004.db2.gz DWKIGRLGEHPZHI-ZDUSSCGKSA-N 2 1 218.344 2.089 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](OC)C1 ZINC001258907702 991901731 /nfs/dbraw/zinc/90/17/31/991901731.db2.gz MVALTROYWCVYNB-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccc(C)o1 ZINC001261424487 992293076 /nfs/dbraw/zinc/29/30/76/992293076.db2.gz VTCOXRYYSCUWPY-ONGXEEELSA-N 2 1 210.321 2.237 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cccc(O)c1 ZINC001261423740 992298074 /nfs/dbraw/zinc/29/80/74/992298074.db2.gz CTBHTXYKQRGEMU-GHMZBOCLSA-N 2 1 222.332 2.041 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C/C=C\C2CC2)CC1(C)C ZINC001261789260 992509174 /nfs/dbraw/zinc/50/91/74/992509174.db2.gz XYVJRJNCWOSORV-ZFDPJTLLSA-N 2 1 222.376 2.415 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]CCC(C)(C)C)[C@H]2C1 ZINC001474757049 992522571 /nfs/dbraw/zinc/52/25/71/992522571.db2.gz OTAHFWVGBKLQIC-RWMBFGLXSA-N 2 1 224.392 2.352 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCC(F)F)[C@@H](C)C1 ZINC001262160376 992723008 /nfs/dbraw/zinc/72/30/08/992723008.db2.gz CMQJDTGLAYGOSD-WDEREUQCSA-N 2 1 234.334 2.352 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC001574270536 992836714 /nfs/dbraw/zinc/83/67/14/992836714.db2.gz HVBUOIHCCLVJEY-CYBMUJFWSA-N 2 1 243.354 2.339 20 0 BEADMP Cc1c[nH+]c2ccccc2c1NC[C@H]1CC[N@@H+]1C ZINC001262373596 992867681 /nfs/dbraw/zinc/86/76/81/992867681.db2.gz FLFQOBCFJOARPP-GFCCVEGCSA-N 2 1 241.338 2.081 20 0 BEADMP C1=CC2(CCCCC2)[N@@H+](CCC2C[NH2+]C2)C1 ZINC001574774619 992900023 /nfs/dbraw/zinc/90/00/23/992900023.db2.gz NLTXSCCKSXOXEH-UHFFFAOYSA-N 2 1 220.360 2.171 20 0 BEADMP C([N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21)C12CCC(CC1)C2 ZINC001574816917 992918742 /nfs/dbraw/zinc/91/87/42/992918742.db2.gz OSCCPRMESZSPAV-RAFNIBEQSA-N 2 1 234.387 2.251 20 0 BEADMP C([N@H+]1CCC[C@H]2C[NH2+]C[C@H]21)C12CCC(CC1)C2 ZINC001574816917 992918753 /nfs/dbraw/zinc/91/87/53/992918753.db2.gz OSCCPRMESZSPAV-RAFNIBEQSA-N 2 1 234.387 2.251 20 0 BEADMP CC(C)(C)[C@H](CN)[NH2+]Cc1cccn1C(F)F ZINC001575109017 992990043 /nfs/dbraw/zinc/99/00/43/992990043.db2.gz SXHJGWWHXLYSHT-JTQLQIEISA-N 2 1 245.317 2.346 20 0 BEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cccn1C(F)F ZINC001575109017 992990047 /nfs/dbraw/zinc/99/00/47/992990047.db2.gz SXHJGWWHXLYSHT-JTQLQIEISA-N 2 1 245.317 2.346 20 0 BEADMP CC(C)(C[NH3+])[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC001575318378 993010585 /nfs/dbraw/zinc/01/05/85/993010585.db2.gz SLKLKWUMKXHENU-GXTWGEPZSA-N 2 1 247.386 2.435 20 0 BEADMP CC(C)(C[NH3+])[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC001575318384 993011849 /nfs/dbraw/zinc/01/18/49/993011849.db2.gz SLKLKWUMKXHENU-OCCSQVGLSA-N 2 1 247.386 2.435 20 0 BEADMP CC(C)=CC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001575391076 993035248 /nfs/dbraw/zinc/03/52/48/993035248.db2.gz FSEXKPCDPSQAQQ-CQSZACIVSA-N 2 1 222.376 2.418 20 0 BEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cccn1C(F)F ZINC001575417901 993038591 /nfs/dbraw/zinc/03/85/91/993038591.db2.gz JIZJEHCZLKUTRS-GFCCVEGCSA-N 2 1 245.317 2.346 20 0 BEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC001575498156 993059579 /nfs/dbraw/zinc/05/95/79/993059579.db2.gz IXNRCRCAOHRLBH-ZUWCUPBKSA-N 2 1 224.392 2.397 20 0 BEADMP C[C@H](C1CC1)[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC001575911889 993124164 /nfs/dbraw/zinc/12/41/64/993124164.db2.gz KYQNNFWPUZEMLD-NTZNESFSSA-N 2 1 222.376 2.377 20 0 BEADMP C[C@H](Cc1cccnc1)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC001576056151 993167081 /nfs/dbraw/zinc/16/70/81/993167081.db2.gz HUKGYOUKMYBSCK-VNHYZAJKSA-N 2 1 247.386 2.133 20 0 BEADMP C[C@@H]([NH3+])C[N@H+](C)CCCc1ccc(F)c(F)c1 ZINC001576149709 993187492 /nfs/dbraw/zinc/18/74/92/993187492.db2.gz LSJMWMZHHILIBX-SNVBAGLBSA-N 2 1 242.313 2.176 20 0 BEADMP C[C@@H]([NH3+])C[N@@H+](C)CCCc1ccc(F)c(F)c1 ZINC001576149709 993187495 /nfs/dbraw/zinc/18/74/95/993187495.db2.gz LSJMWMZHHILIBX-SNVBAGLBSA-N 2 1 242.313 2.176 20 0 BEADMP C[C@@H]1CCC[C@H]([N@H+]2CCC[C@H]([NH3+])CC2)C1 ZINC000378665195 993199971 /nfs/dbraw/zinc/19/99/71/993199971.db2.gz FQECACHFXDOELQ-AGIUHOORSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@@H](c1cccc(F)c1)[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC001576300694 993257858 /nfs/dbraw/zinc/25/78/58/993257858.db2.gz GEGQFWABXAAAJG-LNSITVRQSA-N 2 1 248.345 2.428 20 0 BEADMP C[C@@H](c1cccc(F)c1)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC001576300694 993257868 /nfs/dbraw/zinc/25/78/68/993257868.db2.gz GEGQFWABXAAAJG-LNSITVRQSA-N 2 1 248.345 2.428 20 0 BEADMP CC1(C)CCC(C)(C)[N@@H+](CCC2C[NH2+]C2)C1 ZINC001576409483 993298445 /nfs/dbraw/zinc/29/84/45/993298445.db2.gz HGCRUMQQFNRZAE-UHFFFAOYSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@]1(C[NH3+])CC[N@@H+](CC23CCC(CC2)C3)C1 ZINC001576503637 993314182 /nfs/dbraw/zinc/31/41/82/993314182.db2.gz UHILJBMKTUPKDE-ROKHWSDSSA-N 2 1 222.376 2.237 20 0 BEADMP CC1(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)CCC1 ZINC001576502398 993325701 /nfs/dbraw/zinc/32/57/01/993325701.db2.gz CIINHJMKVSDBBL-NWDGAFQWSA-N 2 1 208.349 2.003 20 0 BEADMP CC1(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)CCC1 ZINC001576502398 993325706 /nfs/dbraw/zinc/32/57/06/993325706.db2.gz CIINHJMKVSDBBL-NWDGAFQWSA-N 2 1 208.349 2.003 20 0 BEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC12CCC(CC1)C2 ZINC001576608558 993367357 /nfs/dbraw/zinc/36/73/57/993367357.db2.gz UNJIQEHAFMBHIZ-RJZJGCCBSA-N 2 1 222.376 2.378 20 0 BEADMP C[C@@H]1CC[C@@H](C)C1[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000381201681 993378617 /nfs/dbraw/zinc/37/86/17/993378617.db2.gz FJMFIVHKHFQICP-UPJWGTAASA-N 2 1 224.392 2.495 20 0 BEADMP Cc1cc(C[NH2+]CC2([NH3+])CCC2)cs1 ZINC000381247304 993382644 /nfs/dbraw/zinc/38/26/44/993382644.db2.gz WTBKESGNPWMSRR-UHFFFAOYSA-N 2 1 210.346 2.028 20 0 BEADMP C[C@@H]1CCC(F)(F)C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001576657666 993384821 /nfs/dbraw/zinc/38/48/21/993384821.db2.gz PWZPMEMPIWTODR-VXGBXAGGSA-N 2 1 246.345 2.496 20 0 BEADMP C[C@@H]1CCC(F)(F)C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001576657666 993384829 /nfs/dbraw/zinc/38/48/29/993384829.db2.gz PWZPMEMPIWTODR-VXGBXAGGSA-N 2 1 246.345 2.496 20 0 BEADMP C[C@@H]1CCC[C@@H](C)[N@@H+](CC2(C[NH3+])CC2)C1 ZINC001576669531 993388079 /nfs/dbraw/zinc/38/80/79/993388079.db2.gz SKZMZDIYHYAIFU-VXGBXAGGSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CC[C@H](C)SC1 ZINC001576671358 993391670 /nfs/dbraw/zinc/39/16/70/993391670.db2.gz YTBMEGYBQQLLFW-IRCOFANPSA-N 2 1 228.405 2.001 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cs1 ZINC000381590767 993408296 /nfs/dbraw/zinc/40/82/96/993408296.db2.gz CZHYKKMXQSEIAM-QWHCGFSZSA-N 2 1 236.384 2.240 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cs1 ZINC000381590767 993408299 /nfs/dbraw/zinc/40/82/99/993408299.db2.gz CZHYKKMXQSEIAM-QWHCGFSZSA-N 2 1 236.384 2.240 20 0 BEADMP Cc1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)[nH+]c1 ZINC000382434504 993460446 /nfs/dbraw/zinc/46/04/46/993460446.db2.gz UHBBORSQYMYUOP-GHMZBOCLSA-N 2 1 205.305 2.072 20 0 BEADMP CC[C@H](C)[C@H](C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1)OC ZINC001576961224 993470058 /nfs/dbraw/zinc/47/00/58/993470058.db2.gz LZTCBGMRFQORMR-CRWXNKLISA-N 2 1 242.407 2.107 20 0 BEADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000383512966 993497912 /nfs/dbraw/zinc/49/79/12/993497912.db2.gz LQVLLGXBYDHQLO-ZDUSSCGKSA-N 2 1 236.334 2.387 20 0 BEADMP CC[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)C1 ZINC001577246532 993556682 /nfs/dbraw/zinc/55/66/82/993556682.db2.gz DTMIYRKYWPGLMF-APIJFGDWSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)C1 ZINC001577246532 993556694 /nfs/dbraw/zinc/55/66/94/993556694.db2.gz DTMIYRKYWPGLMF-APIJFGDWSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@H]1CCC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001577259852 993566285 /nfs/dbraw/zinc/56/62/85/993566285.db2.gz KINPNUYVSSBICA-RWMBFGLXSA-N 2 1 210.365 2.236 20 0 BEADMP CCC[C@H]1CCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577377115 993635201 /nfs/dbraw/zinc/63/52/01/993635201.db2.gz FIEDPUYWZOLAIS-XQQFMLRXSA-N 2 1 210.365 2.378 20 0 BEADMP CCCCCC[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001577432914 993664146 /nfs/dbraw/zinc/66/41/46/993664146.db2.gz UEBZTLCQCCCCGZ-VIFPVBQESA-N 2 1 226.286 2.436 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+](CCOCc2ccccc2)CC1 ZINC000393230944 993913989 /nfs/dbraw/zinc/91/39/89/993913989.db2.gz FLAAVNUUZWUACW-OAHLLOKOSA-N 2 1 248.370 2.016 20 0 BEADMP CCCCC[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000393792372 994007089 /nfs/dbraw/zinc/00/70/89/994007089.db2.gz MQOOBFZIGQGXCY-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)C[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001307976779 995514826 /nfs/dbraw/zinc/51/48/26/995514826.db2.gz YQXIVKBTTHMENG-IGQOVBAYSA-N 2 1 224.392 2.160 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001307976779 995514838 /nfs/dbraw/zinc/51/48/38/995514838.db2.gz YQXIVKBTTHMENG-IGQOVBAYSA-N 2 1 224.392 2.160 20 0 BEADMP Cc1ccc(C[N@@H+](C)CCCC[NH3+])cc1 ZINC000020264292 1170150913 /nfs/dbraw/zinc/15/09/13/1170150913.db2.gz RDRJTMMJPKAXSR-UHFFFAOYSA-N 2 1 206.333 2.166 20 0 BEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(O)cc1 ZINC000037267155 1170938596 /nfs/dbraw/zinc/93/85/96/1170938596.db2.gz MAFJRZASFGGFDC-NSHDSACASA-N 2 1 234.343 2.137 20 0 BEADMP C[NH2+]CC[C@H](C)[N@@H+](C)Cc1cccc(C)c1 ZINC000052345988 1171958310 /nfs/dbraw/zinc/95/83/10/1171958310.db2.gz WWXUNQNACWDOLK-ZDUSSCGKSA-N 2 1 220.360 2.425 20 0 BEADMP C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1C ZINC000052547073 1171974415 /nfs/dbraw/zinc/97/44/15/1171974415.db2.gz CNUCZSHOSBDCPZ-ZDUSSCGKSA-N 2 1 220.360 2.425 20 0 BEADMP C[C@@H](CCC1CC1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336728558 398136157 /nfs/dbraw/zinc/13/61/57/398136157.db2.gz CPHMSNAMRKSQFS-LBPRGKRZSA-N 2 1 222.376 2.417 20 0 BEADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000227167954 398137168 /nfs/dbraw/zinc/13/71/68/398137168.db2.gz IRPUNYSVHOHOHY-KBPBESRZSA-N 2 1 222.376 2.251 20 0 BEADMP CCC(CC)(CC)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000310005451 168313907 /nfs/dbraw/zinc/31/39/07/168313907.db2.gz GMAXEARLWARWMJ-BETUJISGSA-N 2 1 224.392 2.354 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cs1 ZINC000294997669 178003635 /nfs/dbraw/zinc/00/36/35/178003635.db2.gz YLDNPJGQCGKDMX-GFCCVEGCSA-N 2 1 238.400 2.440 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cs1 ZINC000294997669 178003638 /nfs/dbraw/zinc/00/36/38/178003638.db2.gz YLDNPJGQCGKDMX-GFCCVEGCSA-N 2 1 238.400 2.440 20 0 BEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649908586 398184031 /nfs/dbraw/zinc/18/40/31/398184031.db2.gz RWAYXHZWYKAOQF-GFCCVEGCSA-N 2 1 246.345 2.449 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649908586 398184034 /nfs/dbraw/zinc/18/40/34/398184034.db2.gz RWAYXHZWYKAOQF-GFCCVEGCSA-N 2 1 246.345 2.449 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@]2(CC2(F)F)C1 ZINC000649907378 398180500 /nfs/dbraw/zinc/18/05/00/398180500.db2.gz PZEXGHWIESUXNB-VXGBXAGGSA-N 2 1 244.329 2.202 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@]2(CC2(F)F)C1 ZINC000649907377 398180614 /nfs/dbraw/zinc/18/06/14/398180614.db2.gz PZEXGHWIESUXNB-RYUDHWBXSA-N 2 1 244.329 2.202 20 0 BEADMP COCCC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415097780 398161749 /nfs/dbraw/zinc/16/17/49/398161749.db2.gz DLOKLWPKJAGIJT-CABCVRRESA-N 2 1 248.370 2.106 20 0 BEADMP Cc1cc(Cl)ccc1C[NH2+][C@H](C)C[NH3+] ZINC000235455283 178066477 /nfs/dbraw/zinc/06/64/77/178066477.db2.gz OUJGXVWBLUKNBD-SECBINFHSA-N 2 1 212.724 2.085 20 0 BEADMP Cc1cc(Cl)ccc1C[NH2+][C@@H](C)C[NH3+] ZINC000235138125 178066531 /nfs/dbraw/zinc/06/65/31/178066531.db2.gz OUJGXVWBLUKNBD-VIFPVBQESA-N 2 1 212.724 2.085 20 0 BEADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228152893 178086214 /nfs/dbraw/zinc/08/62/14/178086214.db2.gz PIQNNGBSKFCRMP-WCQYABFASA-N 2 1 236.334 2.303 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+]C[C@H]1CCSC1 ZINC000162780458 538924969 /nfs/dbraw/zinc/92/49/69/538924969.db2.gz UNEONUPVDJZLPO-VXGBXAGGSA-N 2 1 230.421 2.059 20 0 BEADMP C[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)CC(F)F ZINC000647800538 398205800 /nfs/dbraw/zinc/20/58/00/398205800.db2.gz FCSXYSFUIUSXOO-BDAKNGLRSA-N 2 1 243.301 2.436 20 0 BEADMP C[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)CC(F)F ZINC000647800540 398206504 /nfs/dbraw/zinc/20/65/04/398206504.db2.gz FCSXYSFUIUSXOO-IUCAKERBSA-N 2 1 243.301 2.436 20 0 BEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000576362791 365578645 /nfs/dbraw/zinc/57/86/45/365578645.db2.gz UOSBEYXVALMPSV-XQLPTFJDSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc[nH+]1 ZINC000296003239 178155364 /nfs/dbraw/zinc/15/53/64/178155364.db2.gz MXDIBIKPRFDHFH-AGUYFDCRSA-N 2 1 231.343 2.427 20 0 BEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cccc(O)c1 ZINC000070148781 398220878 /nfs/dbraw/zinc/22/08/78/398220878.db2.gz BSLJZKCXTKPBDJ-ZDUSSCGKSA-N 2 1 234.343 2.096 20 0 BEADMP CC[NH+](CC)CCC[N@H+](C)CCSC ZINC000175785428 365595120 /nfs/dbraw/zinc/59/51/20/365595120.db2.gz BTSJJYHXCRNXCT-UHFFFAOYSA-N 2 1 218.410 2.013 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](C)CCSC ZINC000175785428 365595125 /nfs/dbraw/zinc/59/51/25/365595125.db2.gz BTSJJYHXCRNXCT-UHFFFAOYSA-N 2 1 218.410 2.013 20 0 BEADMP Cc1cc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)nc(C)n1 ZINC000275772858 178192556 /nfs/dbraw/zinc/19/25/56/178192556.db2.gz HEZKWKBBHHEDKD-JQWIXIFHSA-N 2 1 246.358 2.131 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000336713137 168351688 /nfs/dbraw/zinc/35/16/88/168351688.db2.gz VJPYILLMAYXVGC-CHWSQXEVSA-N 2 1 210.365 2.106 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368314093 168352172 /nfs/dbraw/zinc/35/21/72/168352172.db2.gz FITYYNMNENDOTQ-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CCC(CC)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368314093 168352173 /nfs/dbraw/zinc/35/21/73/168352173.db2.gz FITYYNMNENDOTQ-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CCC(CC)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368314093 168352175 /nfs/dbraw/zinc/35/21/75/168352175.db2.gz FITYYNMNENDOTQ-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000031994495 168352348 /nfs/dbraw/zinc/35/23/48/168352348.db2.gz AIZFRWJHBNHFQQ-ZDUSSCGKSA-N 2 1 210.365 2.108 20 0 BEADMP CCC(CC)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000336673799 168352562 /nfs/dbraw/zinc/35/25/62/168352562.db2.gz GUGATNDWGMWRTQ-AVGNSLFASA-N 2 1 210.365 2.092 20 0 BEADMP CCC(CC)C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000374903463 168353267 /nfs/dbraw/zinc/35/32/67/168353267.db2.gz PYRFQYSTDMXABJ-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000374903463 168353269 /nfs/dbraw/zinc/35/32/69/168353269.db2.gz PYRFQYSTDMXABJ-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP CCC(CC)C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000374903463 168353271 /nfs/dbraw/zinc/35/32/71/168353271.db2.gz PYRFQYSTDMXABJ-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP CCC(CC)C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000374903463 168353272 /nfs/dbraw/zinc/35/32/72/168353272.db2.gz PYRFQYSTDMXABJ-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP Cc1cc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)no1 ZINC000282902620 178223863 /nfs/dbraw/zinc/22/38/63/178223863.db2.gz WUQWJJIHBFJGOR-LLVKDONJSA-N 2 1 248.330 2.229 20 0 BEADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000280191506 538936587 /nfs/dbraw/zinc/93/65/87/538936587.db2.gz SGBNTLVGKBTOLG-DZGCQCFKSA-N 2 1 247.386 2.005 20 0 BEADMP CCOc1cccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000252793812 136226710 /nfs/dbraw/zinc/22/67/10/136226710.db2.gz XULNXZAYXDGLLO-GXTWGEPZSA-N 2 1 248.370 2.254 20 0 BEADMP Cc1cc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)no1 ZINC000337552939 178258751 /nfs/dbraw/zinc/25/87/51/178258751.db2.gz PNPHGQJGMMXWJP-DLOVCJGASA-N 2 1 237.347 2.116 20 0 BEADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000062050559 398247790 /nfs/dbraw/zinc/24/77/90/398247790.db2.gz KZJNDPSZCZYTPG-SMDDNHRTSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@H]([N@H+](C)CCCc1c[nH+]cn1C)C1(C)CC1 ZINC000563893961 488177319 /nfs/dbraw/zinc/17/73/19/488177319.db2.gz FVLDORZHSUTRGZ-LBPRGKRZSA-N 2 1 235.375 2.473 20 0 BEADMP C[C@H]([N@@H+](C)CCCc1c[nH+]cn1C)C1(C)CC1 ZINC000563893961 488177327 /nfs/dbraw/zinc/17/73/27/488177327.db2.gz FVLDORZHSUTRGZ-LBPRGKRZSA-N 2 1 235.375 2.473 20 0 BEADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCCC[C@H]1C1CCC1 ZINC000647997471 398255365 /nfs/dbraw/zinc/25/53/65/398255365.db2.gz GSDREJCESFMAGR-OCCSQVGLSA-N 2 1 222.376 2.251 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CCSC[C@H](C)C1 ZINC000191896804 361827158 /nfs/dbraw/zinc/82/71/58/361827158.db2.gz USNAKJMQYPXUJM-CYBMUJFWSA-N 2 1 244.448 2.403 20 0 BEADMP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000090175204 398270281 /nfs/dbraw/zinc/27/02/81/398270281.db2.gz ONGGRQRKKHLWRI-UMSGYPCISA-N 2 1 210.365 2.105 20 0 BEADMP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000090175204 398270285 /nfs/dbraw/zinc/27/02/85/398270285.db2.gz ONGGRQRKKHLWRI-UMSGYPCISA-N 2 1 210.365 2.105 20 0 BEADMP C1CC1[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000348109800 136234363 /nfs/dbraw/zinc/23/43/63/136234363.db2.gz ZITBKZLCCIZSGY-APIJFGDWSA-N 2 1 234.387 2.391 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@H]2Cc3ccccc32)CC1 ZINC000037565249 538963252 /nfs/dbraw/zinc/96/32/52/538963252.db2.gz SOMDFZWHZGSVJX-CYBMUJFWSA-N 2 1 230.355 2.010 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1C ZINC000165715356 361844948 /nfs/dbraw/zinc/84/49/48/361844948.db2.gz CERARHALVOMXKN-CHWSQXEVSA-N 2 1 212.381 2.495 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](C)C(C)(C)C ZINC000145606067 342761161 /nfs/dbraw/zinc/76/11/61/342761161.db2.gz MGZLEEGOHHLDJC-UHFFFAOYSA-N 2 1 200.370 2.449 20 0 BEADMP C[NH2+]CC[N@H+](C)C[C@H]1CCCC(C)(C)C1 ZINC000309646715 342775590 /nfs/dbraw/zinc/77/55/90/342775590.db2.gz QQKCEXWZYDUJMJ-LBPRGKRZSA-N 2 1 212.381 2.354 20 0 BEADMP C[NH2+]CC[N@@H+](C)C[C@H]1CCCC(C)(C)C1 ZINC000309646715 342775591 /nfs/dbraw/zinc/77/55/91/342775591.db2.gz QQKCEXWZYDUJMJ-LBPRGKRZSA-N 2 1 212.381 2.354 20 0 BEADMP Cc1cc(N)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000335365121 398287139 /nfs/dbraw/zinc/28/71/39/398287139.db2.gz YIPJPUXLBHJZCZ-SWLSCSKDSA-N 2 1 247.386 2.150 20 0 BEADMP CC[C@@H](C)C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040622280 538971886 /nfs/dbraw/zinc/97/18/86/538971886.db2.gz DVLASFIIZGGXPS-OLZOCXBDSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000382309829 361895435 /nfs/dbraw/zinc/89/54/35/361895435.db2.gz ICPILYPPTRBBKM-QJPTWQEYSA-N 2 1 246.345 2.481 20 0 BEADMP CCC1CC([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000309715665 342799273 /nfs/dbraw/zinc/79/92/73/342799273.db2.gz SRRNNHGWVIGJRX-MOKVOYLWSA-N 2 1 224.392 2.495 20 0 BEADMP CCOc1ccccc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000036301215 342809037 /nfs/dbraw/zinc/80/90/37/342809037.db2.gz XHXNCPMIHQXMQS-UHFFFAOYSA-N 2 1 248.370 2.269 20 0 BEADMP CCOc1ccccc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000036301215 342809038 /nfs/dbraw/zinc/80/90/38/342809038.db2.gz XHXNCPMIHQXMQS-UHFFFAOYSA-N 2 1 248.370 2.269 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC2(CCC2)C1 ZINC000162256695 349623087 /nfs/dbraw/zinc/62/30/87/349623087.db2.gz PRZMNZXDADYPLG-UHFFFAOYSA-N 2 1 233.359 2.458 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC2(CCC2)C1 ZINC000162256695 349623090 /nfs/dbraw/zinc/62/30/90/349623090.db2.gz PRZMNZXDADYPLG-UHFFFAOYSA-N 2 1 233.359 2.458 20 0 BEADMP C[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)CCS1 ZINC000192191317 538993984 /nfs/dbraw/zinc/99/39/84/538993984.db2.gz BMYJMQAULLPXID-STQMWFEESA-N 2 1 242.432 2.298 20 0 BEADMP C[C@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CCS1 ZINC000192191317 538993985 /nfs/dbraw/zinc/99/39/85/538993985.db2.gz BMYJMQAULLPXID-STQMWFEESA-N 2 1 242.432 2.298 20 0 BEADMP C[C@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CCS1 ZINC000192191317 538993986 /nfs/dbraw/zinc/99/39/86/538993986.db2.gz BMYJMQAULLPXID-STQMWFEESA-N 2 1 242.432 2.298 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCCO2)CC1 ZINC000383258633 539011658 /nfs/dbraw/zinc/01/16/58/539011658.db2.gz SNLGXOWKWOAGJN-JSGCOSHPSA-N 2 1 240.391 2.018 20 0 BEADMP FC1(F)CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000383928845 539012097 /nfs/dbraw/zinc/01/20/97/539012097.db2.gz BHCOFLJHKWKGTD-WOPDTQHZSA-N 2 1 244.329 2.391 20 0 BEADMP CC[NH+]1CCC([NH2+]C2CC(C)(C)C2)CC1 ZINC000309056021 342883200 /nfs/dbraw/zinc/88/32/00/342883200.db2.gz ULQPOWKAMZKANK-UHFFFAOYSA-N 2 1 210.365 2.249 20 0 BEADMP CSC[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000162308343 349635864 /nfs/dbraw/zinc/63/58/64/349635864.db2.gz ARGGKVNYOWZTOQ-CHWSQXEVSA-N 2 1 242.432 2.298 20 0 BEADMP CSC[C@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000162308343 349635868 /nfs/dbraw/zinc/63/58/68/349635868.db2.gz ARGGKVNYOWZTOQ-CHWSQXEVSA-N 2 1 242.432 2.298 20 0 BEADMP CSC[C@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000162308343 349635871 /nfs/dbraw/zinc/63/58/71/349635871.db2.gz ARGGKVNYOWZTOQ-CHWSQXEVSA-N 2 1 242.432 2.298 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C1CC1 ZINC000036908633 342913875 /nfs/dbraw/zinc/91/38/75/342913875.db2.gz WUSBWJKUCHKNBM-HNCHTBHHSA-N 2 1 210.365 2.103 20 0 BEADMP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000304623321 398339198 /nfs/dbraw/zinc/33/91/98/398339198.db2.gz UITGBJDHMJCIAQ-QWRGUYRKSA-N 2 1 234.334 2.385 20 0 BEADMP Cc1cc(C)cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000228072591 398340733 /nfs/dbraw/zinc/34/07/33/398340733.db2.gz UFOCGSBCMHGCOX-UKRRQHHQSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1cc(C[N@H+](C)C2CC([NH3+])C2)ccc1F ZINC000335479132 398341505 /nfs/dbraw/zinc/34/15/05/398341505.db2.gz RQOITPUAUMCYHA-UHFFFAOYSA-N 2 1 222.307 2.056 20 0 BEADMP C[C@H](C[NH3+])[NH2+]CC[C@@H](C)c1ccccc1 ZINC000235451763 259333323 /nfs/dbraw/zinc/33/33/23/259333323.db2.gz IYPBDLLXAHPNQN-VXGBXAGGSA-N 2 1 206.333 2.117 20 0 BEADMP CC[C@H](c1ccccc1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313350934 259333949 /nfs/dbraw/zinc/33/39/49/259333949.db2.gz LDLYUAKFCZJNSB-HUUCEWRRSA-N 2 1 248.370 2.187 20 0 BEADMP C[NH+]1CCC([NH2+]CCCc2ccccc2)CC1 ZINC000020122688 342969711 /nfs/dbraw/zinc/96/97/11/342969711.db2.gz YKYAJVXQWBBMID-UHFFFAOYSA-N 2 1 232.371 2.303 20 0 BEADMP COc1ccccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000020128923 342970742 /nfs/dbraw/zinc/97/07/42/342970742.db2.gz UAEZOFWLWYSXFF-UHFFFAOYSA-N 2 1 248.370 2.271 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000020129670 342970764 /nfs/dbraw/zinc/97/07/64/342970764.db2.gz MPSSUQIQWQXRQX-OAHLLOKOSA-N 2 1 230.355 2.358 20 0 BEADMP CCc1cc(NCC2=CC[N@@H+](C)CC2)cc[nH+]1 ZINC000307781261 529555309 /nfs/dbraw/zinc/55/53/09/529555309.db2.gz ZJEOWCCWVMVMPA-UHFFFAOYSA-N 2 1 231.343 2.318 20 0 BEADMP CC(C)c1ccc([C@@H](C)[NH2+]CC[NH3+])cc1 ZINC000037712584 342966760 /nfs/dbraw/zinc/96/67/60/342966760.db2.gz GPOCHHPQUFZLLT-LLVKDONJSA-N 2 1 206.333 2.419 20 0 BEADMP Cc1nccn1C[C@@H]1CCC[N@@H+]1CC[C@@H](C)F ZINC000351868686 136258712 /nfs/dbraw/zinc/25/87/12/136258712.db2.gz GJEBGUAIJWIEBV-YPMHNXCESA-N 2 1 239.338 2.404 20 0 BEADMP Cc1nccn1C[C@@H]1CCC[N@@H+]1CC[C@H](C)F ZINC000351868683 136258764 /nfs/dbraw/zinc/25/87/64/136258764.db2.gz GJEBGUAIJWIEBV-AAEUAGOBSA-N 2 1 239.338 2.404 20 0 BEADMP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336683718 346910870 /nfs/dbraw/zinc/91/08/70/346910870.db2.gz ZIJBGEABSBEWRO-UPJWGTAASA-N 2 1 222.376 2.391 20 0 BEADMP Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000020264745 342978907 /nfs/dbraw/zinc/97/89/07/342978907.db2.gz UXZHBPJNWSEFSC-OAHLLOKOSA-N 2 1 232.371 2.426 20 0 BEADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000044535120 343008835 /nfs/dbraw/zinc/00/88/35/343008835.db2.gz PGJMMWNAQDBFPD-HNNXBMFYSA-N 2 1 232.371 2.426 20 0 BEADMP CC(C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246986812 343011686 /nfs/dbraw/zinc/01/16/86/343011686.db2.gz WETHOZHNAZOARE-GXTWGEPZSA-N 2 1 222.376 2.344 20 0 BEADMP CC(C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246986812 343011688 /nfs/dbraw/zinc/01/16/88/343011688.db2.gz WETHOZHNAZOARE-GXTWGEPZSA-N 2 1 222.376 2.344 20 0 BEADMP CC(C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246986812 343011689 /nfs/dbraw/zinc/01/16/89/343011689.db2.gz WETHOZHNAZOARE-GXTWGEPZSA-N 2 1 222.376 2.344 20 0 BEADMP CC(C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246986812 343011691 /nfs/dbraw/zinc/01/16/91/343011691.db2.gz WETHOZHNAZOARE-GXTWGEPZSA-N 2 1 222.376 2.344 20 0 BEADMP C[N@@H+](CCC1CC1)CC[C@@H]1CCC[NH+]1C ZINC000162615879 349769426 /nfs/dbraw/zinc/76/94/26/349769426.db2.gz BOEXXRDDZKDPBR-ZDUSSCGKSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+](CCC1CC1)CC[C@@H]1CCC[N@@H+]1C ZINC000162615879 349769429 /nfs/dbraw/zinc/76/94/29/349769429.db2.gz BOEXXRDDZKDPBR-ZDUSSCGKSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+](CCC1CC1)CC[C@@H]1CCC[N@H+]1C ZINC000162615879 349769433 /nfs/dbraw/zinc/76/94/33/349769433.db2.gz BOEXXRDDZKDPBR-ZDUSSCGKSA-N 2 1 210.365 2.203 20 0 BEADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccncc1 ZINC000562956177 323035036 /nfs/dbraw/zinc/03/50/36/323035036.db2.gz HZGBHHVMLRFQLG-LBPRGKRZSA-N 2 1 221.348 2.120 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1F ZINC000131531458 343183886 /nfs/dbraw/zinc/18/38/86/343183886.db2.gz HWWKWLHRGQNCAG-WCQYABFASA-N 2 1 236.334 2.446 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1F ZINC000131531458 343183888 /nfs/dbraw/zinc/18/38/88/343183888.db2.gz HWWKWLHRGQNCAG-WCQYABFASA-N 2 1 236.334 2.446 20 0 BEADMP C[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000082489425 136276569 /nfs/dbraw/zinc/27/65/69/136276569.db2.gz ZQSDYNJLFGOBEO-LBPRGKRZSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000082489434 136276732 /nfs/dbraw/zinc/27/67/32/136276732.db2.gz MGMANOWYINNTSM-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP CCC(CC)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000069724633 343290043 /nfs/dbraw/zinc/29/00/43/343290043.db2.gz VUYFQPMJLFLXLU-YPMHNXCESA-N 2 1 212.381 2.482 20 0 BEADMP C[N@@H+](CCc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000088242802 136285715 /nfs/dbraw/zinc/28/57/15/136285715.db2.gz QKADHFKWNIFCPS-HNNXBMFYSA-N 2 1 232.371 2.161 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3O)CC1 ZINC000036852729 343325363 /nfs/dbraw/zinc/32/53/63/343325363.db2.gz VIDCKHYATQCDQT-AWEZNQCLSA-N 2 1 246.354 2.063 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3O)CC1 ZINC000036852727 343325591 /nfs/dbraw/zinc/32/55/91/343325591.db2.gz VIDCKHYATQCDQT-CQSZACIVSA-N 2 1 246.354 2.063 20 0 BEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCOc1ccccc1 ZINC000052092376 343300540 /nfs/dbraw/zinc/30/05/40/343300540.db2.gz PNKMOBPFELNHOS-UONOGXRCSA-N 2 1 248.370 2.267 20 0 BEADMP COCc1cccc(C[NH2+]C2CC[NH+](C)CC2)c1 ZINC000038010399 343364747 /nfs/dbraw/zinc/36/47/47/343364747.db2.gz HJZPVSNOZXVFPI-UHFFFAOYSA-N 2 1 248.370 2.017 20 0 BEADMP c1ccc2c(c1)CC[C@@H]2C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000335649861 136304682 /nfs/dbraw/zinc/30/46/82/136304682.db2.gz JVSYDOKPDTVMNW-ZIAGYGMSSA-N 2 1 230.355 2.058 20 0 BEADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3(C)CC3)CC[C@H]21 ZINC000569904070 323043984 /nfs/dbraw/zinc/04/39/84/323043984.db2.gz CVXSMHBKIYJEFW-CHWSQXEVSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3(C)CC3)CC[C@H]21 ZINC000569904070 323043985 /nfs/dbraw/zinc/04/39/85/323043985.db2.gz CVXSMHBKIYJEFW-CHWSQXEVSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3(C)CC3)CC[C@H]21 ZINC000569904070 323043986 /nfs/dbraw/zinc/04/39/86/323043986.db2.gz CVXSMHBKIYJEFW-CHWSQXEVSA-N 2 1 222.376 2.203 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1F ZINC000335641153 136308555 /nfs/dbraw/zinc/30/85/55/136308555.db2.gz RPNRNJIEOCCMNO-AAEUAGOBSA-N 2 1 236.334 2.364 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000166225095 136313593 /nfs/dbraw/zinc/31/35/93/136313593.db2.gz CYYCZCKLPMETPY-YPMHNXCESA-N 2 1 210.365 2.236 20 0 BEADMP CC(C)(C)[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000166228577 136314737 /nfs/dbraw/zinc/31/47/37/136314737.db2.gz WCENZTRHPDZKQW-OLZOCXBDSA-N 2 1 224.392 2.354 20 0 BEADMP CC(C)[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000166266908 136325351 /nfs/dbraw/zinc/32/53/51/136325351.db2.gz PCHOBAPSDPBUGF-AWEZNQCLSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1CCC[N@H+]1CC[C@H]1CCCC[NH+]1C ZINC000335698427 136327642 /nfs/dbraw/zinc/32/76/42/136327642.db2.gz NYVUYONZBKVEBD-CHWSQXEVSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@@H]1CCC[NH+]1CC[C@H]1CCCC[N@@H+]1C ZINC000335698427 136327643 /nfs/dbraw/zinc/32/76/43/136327643.db2.gz NYVUYONZBKVEBD-CHWSQXEVSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@@H]1CCC[NH+]1CC[C@H]1CCCC[N@H+]1C ZINC000335698427 136327644 /nfs/dbraw/zinc/32/76/44/136327644.db2.gz NYVUYONZBKVEBD-CHWSQXEVSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000349157523 136327811 /nfs/dbraw/zinc/32/78/11/136327811.db2.gz YTPCJFVNDMXXMU-YUELXQCFSA-N 2 1 236.403 2.306 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)CCSCC ZINC000349387086 136344359 /nfs/dbraw/zinc/34/43/59/136344359.db2.gz URCQHTYKVHWTDP-UHFFFAOYSA-N 2 1 232.437 2.403 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H]1C[C@H]1C ZINC000349344217 136342699 /nfs/dbraw/zinc/34/26/99/136342699.db2.gz HMEYGUMVPNKDNJ-OLZOCXBDSA-N 2 1 212.381 2.306 20 0 BEADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])ccc1F ZINC000258862202 136373956 /nfs/dbraw/zinc/37/39/56/136373956.db2.gz FOSCGRZEPZFWHL-QWHCGFSZSA-N 2 1 222.307 2.104 20 0 BEADMP C[N@H+](Cc1cccc(N)c1)C[C@H]1CCC[NH+](C)C1 ZINC000258969674 136374011 /nfs/dbraw/zinc/37/40/11/136374011.db2.gz KDEMPMNPVIWMBS-AWEZNQCLSA-N 2 1 247.386 2.042 20 0 BEADMP C[NH+](Cc1cccc(N)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000258969674 136374012 /nfs/dbraw/zinc/37/40/12/136374012.db2.gz KDEMPMNPVIWMBS-AWEZNQCLSA-N 2 1 247.386 2.042 20 0 BEADMP C[NH+](Cc1cccc(N)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000258969674 136374013 /nfs/dbraw/zinc/37/40/13/136374013.db2.gz KDEMPMNPVIWMBS-AWEZNQCLSA-N 2 1 247.386 2.042 20 0 BEADMP C[N@H+](Cc1cccc(N)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000258969678 136374164 /nfs/dbraw/zinc/37/41/64/136374164.db2.gz KDEMPMNPVIWMBS-CQSZACIVSA-N 2 1 247.386 2.042 20 0 BEADMP C[NH+](Cc1cccc(N)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000258969678 136374165 /nfs/dbraw/zinc/37/41/65/136374165.db2.gz KDEMPMNPVIWMBS-CQSZACIVSA-N 2 1 247.386 2.042 20 0 BEADMP C[NH+](Cc1cccc(N)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000258969678 136374166 /nfs/dbraw/zinc/37/41/66/136374166.db2.gz KDEMPMNPVIWMBS-CQSZACIVSA-N 2 1 247.386 2.042 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)[C@@H]2C)CC1 ZINC000308932102 346942465 /nfs/dbraw/zinc/94/24/65/346942465.db2.gz ROMRLWUKUUNXHC-GMXVVIOVSA-N 2 1 210.365 2.105 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC3CCC3)C[C@@H]21 ZINC000398648923 488221642 /nfs/dbraw/zinc/22/16/42/488221642.db2.gz KOQRZXPAAWOLSL-HZSPNIEDSA-N 2 1 222.376 2.236 20 0 BEADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000083565808 343490818 /nfs/dbraw/zinc/49/08/18/343490818.db2.gz RCSXUZRJTLLVCH-MFKMUULPSA-N 2 1 204.317 2.075 20 0 BEADMP CC1CCC([N@@H+](CCC[NH3+])C2CC2)CC1 ZINC000082848506 343468517 /nfs/dbraw/zinc/46/85/17/343468517.db2.gz HJFVIHWQSGCOIV-UHFFFAOYSA-N 2 1 210.365 2.378 20 0 BEADMP [NH3+]CC[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000084011090 343513830 /nfs/dbraw/zinc/51/38/30/343513830.db2.gz BYKQEZWZVVQPSD-CQSZACIVSA-N 2 1 218.344 2.042 20 0 BEADMP [NH3+]CC[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000084011090 343513831 /nfs/dbraw/zinc/51/38/31/343513831.db2.gz BYKQEZWZVVQPSD-CQSZACIVSA-N 2 1 218.344 2.042 20 0 BEADMP C[C@H]1CC[N@@H+](CCC2CCC2)C[C@H]1C[NH3+] ZINC000398701230 488222659 /nfs/dbraw/zinc/22/26/59/488222659.db2.gz KBUWTBZEIMGUGB-WCQYABFASA-N 2 1 210.365 2.093 20 0 BEADMP CC(C)[NH2+][C@H]1CCC[N@H+](CCC2CC2)C1 ZINC000083912956 343684102 /nfs/dbraw/zinc/68/41/02/343684102.db2.gz GAUJAKZXLDCRCW-ZDUSSCGKSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)[NH2+][C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC000083912956 343684105 /nfs/dbraw/zinc/68/41/05/343684105.db2.gz GAUJAKZXLDCRCW-ZDUSSCGKSA-N 2 1 210.365 2.249 20 0 BEADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000336396565 537806615 /nfs/dbraw/zinc/80/66/15/537806615.db2.gz CVAFIILUMNSYRV-DOMZBBRYSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000336396565 537806621 /nfs/dbraw/zinc/80/66/21/537806621.db2.gz CVAFIILUMNSYRV-DOMZBBRYSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cn1 ZINC000336396565 537806625 /nfs/dbraw/zinc/80/66/25/537806625.db2.gz CVAFIILUMNSYRV-DOMZBBRYSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cn1 ZINC000336396565 537806629 /nfs/dbraw/zinc/80/66/29/537806629.db2.gz CVAFIILUMNSYRV-DOMZBBRYSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1C ZINC000011888393 343772065 /nfs/dbraw/zinc/77/20/65/343772065.db2.gz REGJVJJCHLELIF-HNNXBMFYSA-N 2 1 232.371 2.474 20 0 BEADMP CC1(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000336667025 537817768 /nfs/dbraw/zinc/81/77/68/537817768.db2.gz LYYHWELNXZLKNA-GFCCVEGCSA-N 2 1 222.376 2.251 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+]CC1(C)CCC1 ZINC000336715495 537825962 /nfs/dbraw/zinc/82/59/62/537825962.db2.gz WSXUUKUBCFNJRJ-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+]CC1(C)CCC1 ZINC000336715495 537825970 /nfs/dbraw/zinc/82/59/70/537825970.db2.gz WSXUUKUBCFNJRJ-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000336707807 537830488 /nfs/dbraw/zinc/83/04/88/537830488.db2.gz RXVZRDDFBLHKFJ-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000031994553 343886908 /nfs/dbraw/zinc/88/69/08/343886908.db2.gz ZDTXWPZXPPEOOO-HNNXBMFYSA-N 2 1 230.355 2.180 20 0 BEADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccco1 ZINC000566004148 343975261 /nfs/dbraw/zinc/97/52/61/343975261.db2.gz YCKAQYVMNOIGGV-NSHDSACASA-N 2 1 210.321 2.318 20 0 BEADMP CC(C)CCC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299894256 344118358 /nfs/dbraw/zinc/11/83/58/344118358.db2.gz VCKXZCBRENCYGV-QWHCGFSZSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)CCC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299894256 344118360 /nfs/dbraw/zinc/11/83/60/344118360.db2.gz VCKXZCBRENCYGV-QWHCGFSZSA-N 2 1 210.365 2.106 20 0 BEADMP C(C1CCCCC1)[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299892744 344117453 /nfs/dbraw/zinc/11/74/53/344117453.db2.gz CSVQZMLZHYAMNA-UONOGXRCSA-N 2 1 222.376 2.251 20 0 BEADMP C(C1CCCCC1)[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299892744 344117454 /nfs/dbraw/zinc/11/74/54/344117454.db2.gz CSVQZMLZHYAMNA-UONOGXRCSA-N 2 1 222.376 2.251 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CC(C)(C)C1 ZINC000336749322 537841961 /nfs/dbraw/zinc/84/19/61/537841961.db2.gz DEUHAWJSSUOJAN-LLVKDONJSA-N 2 1 212.381 2.495 20 0 BEADMP CC1CCC([NH2+]CCc2c[nH+]cn2C)CC1 ZINC000381206335 344192981 /nfs/dbraw/zinc/19/29/81/344192981.db2.gz GHNNOAVCLFSLMN-UHFFFAOYSA-N 2 1 221.348 2.131 20 0 BEADMP C/C=C\C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000384872780 344202648 /nfs/dbraw/zinc/20/26/48/344202648.db2.gz GNEZKFQGWJUIDO-GPRRCUJPSA-N 2 1 202.301 2.297 20 0 BEADMP CC[C@H](C)C[NH2+]CC1([NH+](C)C)CCCC1 ZINC000132069546 344273877 /nfs/dbraw/zinc/27/38/77/344273877.db2.gz UIBPMUBANOVWJZ-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@H]1C[C@H](N)C[N@H+]1CCCCC1CCOCC1 ZINC000385204668 344376547 /nfs/dbraw/zinc/37/65/47/344376547.db2.gz CABAKJKJDDDKEM-OCCSQVGLSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCCCC1CCOCC1 ZINC000385204668 344376548 /nfs/dbraw/zinc/37/65/48/344376548.db2.gz CABAKJKJDDDKEM-OCCSQVGLSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCCCC1CCOCC1 ZINC000385204668 344376551 /nfs/dbraw/zinc/37/65/51/344376551.db2.gz CABAKJKJDDDKEM-OCCSQVGLSA-N 2 1 240.391 2.005 20 0 BEADMP c1cc2[nH+]ccc(N[C@@H]3CCC[NH2+]CC3)c2s1 ZINC000634813620 344399230 /nfs/dbraw/zinc/39/92/30/344399230.db2.gz ROUZZQZBKGMHFK-SNVBAGLBSA-N 2 1 247.367 2.272 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000336762907 537846041 /nfs/dbraw/zinc/84/60/41/537846041.db2.gz OHRHTDPGDUTXQP-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP CCCCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152385217 344532950 /nfs/dbraw/zinc/53/29/50/344532950.db2.gz AVIJWZXFOHUYMN-ZDUSSCGKSA-N 2 1 212.381 2.450 20 0 BEADMP CCCCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152385217 344532952 /nfs/dbraw/zinc/53/29/52/344532952.db2.gz AVIJWZXFOHUYMN-ZDUSSCGKSA-N 2 1 212.381 2.450 20 0 BEADMP CCCCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152385217 344532954 /nfs/dbraw/zinc/53/29/54/344532954.db2.gz AVIJWZXFOHUYMN-ZDUSSCGKSA-N 2 1 212.381 2.450 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+]CC2(C)CCC2)C1 ZINC000336771596 537849136 /nfs/dbraw/zinc/84/91/36/537849136.db2.gz USIYZGYEJVTXJZ-ZDUSSCGKSA-N 2 1 224.392 2.498 20 0 BEADMP Cc1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)s1 ZINC000050226804 344743091 /nfs/dbraw/zinc/74/30/91/344743091.db2.gz VPSOVVSPHKRLQI-LLVKDONJSA-N 2 1 212.362 2.129 20 0 BEADMP CC(C)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158612294 344695962 /nfs/dbraw/zinc/69/59/62/344695962.db2.gz AYPGVLVFQCYHSV-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158612294 344695964 /nfs/dbraw/zinc/69/59/64/344695964.db2.gz AYPGVLVFQCYHSV-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158612294 344695966 /nfs/dbraw/zinc/69/59/66/344695966.db2.gz AYPGVLVFQCYHSV-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP CCOCCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860661 344785875 /nfs/dbraw/zinc/78/58/75/344785875.db2.gz CKYGOAWUPHQVEA-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP CC(C)c1cnc(C[NH2+][C@H](C)C[C@H](C)[NH3+])s1 ZINC000578442616 344882122 /nfs/dbraw/zinc/88/21/22/344882122.db2.gz ACJLYNSWUBQYFM-VHSXEESVSA-N 2 1 241.404 2.482 20 0 BEADMP CO[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000234767361 537871818 /nfs/dbraw/zinc/87/18/18/537871818.db2.gz YZCYVKTWFCDCSX-UONOGXRCSA-N 2 1 242.407 2.264 20 0 BEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000578878211 344923292 /nfs/dbraw/zinc/92/32/92/344923292.db2.gz ANFPSIMKIZHOHM-LBPRGKRZSA-N 2 1 221.348 2.040 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C)nc2)C1 ZINC000153978902 345004102 /nfs/dbraw/zinc/00/41/02/345004102.db2.gz OMBAKVXEJOHXBD-HNNXBMFYSA-N 2 1 247.386 2.164 20 0 BEADMP COc1ccc(C)cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000124635457 345048067 /nfs/dbraw/zinc/04/80/67/345048067.db2.gz IYMXFLWAFJIWBC-GXTWGEPZSA-N 2 1 248.370 2.315 20 0 BEADMP COc1ccc(C)cc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000124635457 345048068 /nfs/dbraw/zinc/04/80/68/345048068.db2.gz IYMXFLWAFJIWBC-GXTWGEPZSA-N 2 1 248.370 2.315 20 0 BEADMP C(C1CC1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156480076 345167314 /nfs/dbraw/zinc/16/73/14/345167314.db2.gz DTQSDWXJHTXFLV-AWEZNQCLSA-N 2 1 222.376 2.347 20 0 BEADMP Cc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000156595637 345179987 /nfs/dbraw/zinc/17/99/87/345179987.db2.gz WBPGUNIJTKLMBV-NNQSOWQGSA-N 2 1 245.370 2.105 20 0 BEADMP Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000156595637 345179989 /nfs/dbraw/zinc/17/99/89/345179989.db2.gz WBPGUNIJTKLMBV-NNQSOWQGSA-N 2 1 245.370 2.105 20 0 BEADMP C[C@@H]1CCC[C@H](C)C[N@H+]1CC12CC(C1)CN2 ZINC000634992898 345188052 /nfs/dbraw/zinc/18/80/52/345188052.db2.gz FJNCTIAMIQHXCL-MRFVTOPCSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1CCC[C@H](C)C[N@@H+]1CC12CC(C1)CN2 ZINC000634992898 345188056 /nfs/dbraw/zinc/18/80/56/345188056.db2.gz FJNCTIAMIQHXCL-MRFVTOPCSA-N 2 1 222.376 2.249 20 0 BEADMP COc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1C ZINC000634999689 345200027 /nfs/dbraw/zinc/20/00/27/345200027.db2.gz XXQRNWAPZOPSER-GXTWGEPZSA-N 2 1 248.370 2.030 20 0 BEADMP CSCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158476083 345337942 /nfs/dbraw/zinc/33/79/42/345337942.db2.gz HQCHMDAGYCLRQX-OLZOCXBDSA-N 2 1 242.432 2.156 20 0 BEADMP Cc1ccc([C@@H]2CCC[N@H+]2CCOCC[NH3+])cc1 ZINC000357022789 178872188 /nfs/dbraw/zinc/87/21/88/178872188.db2.gz CCUZZZLOYAEDEC-HNNXBMFYSA-N 2 1 248.370 2.107 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000089736017 345558736 /nfs/dbraw/zinc/55/87/36/345558736.db2.gz NKOPDLWPCXJRTE-HOCLYGCPSA-N 2 1 246.398 2.467 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(F)c1 ZINC000225990050 345751345 /nfs/dbraw/zinc/75/13/45/345751345.db2.gz HDUCVYBMRHFVLC-BXKDBHETSA-N 2 1 210.296 2.214 20 0 BEADMP CC(C)[NH2+][C@H]1CCC[N@H+](CC2CCC2)C1 ZINC000070585041 345788473 /nfs/dbraw/zinc/78/84/73/345788473.db2.gz PKTIPDWJQNRTMV-ZDUSSCGKSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)[NH2+][C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC000070585041 345788476 /nfs/dbraw/zinc/78/84/76/345788476.db2.gz PKTIPDWJQNRTMV-ZDUSSCGKSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@H]1CC1(C)C ZINC000381492591 346077571 /nfs/dbraw/zinc/07/75/71/346077571.db2.gz YTEWIFGUFMQDDG-YNEHKIRRSA-N 2 1 224.392 2.352 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC(F)(F)C2)[C@@H](C)C1 ZINC000679073689 488305839 /nfs/dbraw/zinc/30/58/39/488305839.db2.gz NFROUMNEVSRKOK-TUAOUCFPSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@@H](C[NH2+]C1CC[NH+](C)CC1)C(C)(C)C ZINC000147663330 537958067 /nfs/dbraw/zinc/95/80/67/537958067.db2.gz SXDKTMGVDSKODO-NSHDSACASA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CC2(C)CC2)C1 ZINC000381521491 346242501 /nfs/dbraw/zinc/24/25/01/346242501.db2.gz UVIMQJWVXAAEMI-ZDUSSCGKSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)(CF)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000381521508 346242740 /nfs/dbraw/zinc/24/27/40/346242740.db2.gz UWGZTLUVQSNUSP-UHFFFAOYSA-N 2 1 228.355 2.199 20 0 BEADMP C[NH+](C)CCC[N@@H+](C)C[C@@]1(C)CCCS1 ZINC000628277192 346286422 /nfs/dbraw/zinc/28/64/22/346286422.db2.gz GYRURWQGEWQLDM-GFCCVEGCSA-N 2 1 230.421 2.156 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163214678 179035435 /nfs/dbraw/zinc/03/54/35/179035435.db2.gz IPURWBODKIZTEQ-KGLIPLIRSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1cccc(CC[N@@H+]2CC[NH2+][C@H](C)CC2)c1 ZINC000051671002 179057061 /nfs/dbraw/zinc/05/70/61/179057061.db2.gz HNBUUEVBSDIHNG-CQSZACIVSA-N 2 1 232.371 2.221 20 0 BEADMP Cc1cccc(CC[N@H+]2CC[NH2+][C@H](C)CC2)c1 ZINC000051671002 179057063 /nfs/dbraw/zinc/05/70/63/179057063.db2.gz HNBUUEVBSDIHNG-CQSZACIVSA-N 2 1 232.371 2.221 20 0 BEADMP Cc1cccc(CC[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000054243903 179058477 /nfs/dbraw/zinc/05/84/77/179058477.db2.gz MQHAPRGQPYXYRB-INIZCTEOSA-N 2 1 246.398 2.469 20 0 BEADMP C[C@@H](Cc1ccsc1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000574904669 346407764 /nfs/dbraw/zinc/40/77/64/346407764.db2.gz YZOKKYGILTUXFR-AAEUAGOBSA-N 2 1 238.400 2.411 20 0 BEADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccn(C)c2)CC1 ZINC000158445811 346396968 /nfs/dbraw/zinc/39/69/68/346396968.db2.gz DIPDTSNJPKVFOK-UHFFFAOYSA-N 2 1 249.402 2.235 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000172197613 179082745 /nfs/dbraw/zinc/08/27/45/179082745.db2.gz RAERSHMHUOYUKT-OAHLLOKOSA-N 2 1 232.371 2.379 20 0 BEADMP Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)nc1 ZINC000334175553 346438438 /nfs/dbraw/zinc/43/84/38/346438438.db2.gz CJKZYYYVKLFKEJ-DZGCQCFKSA-N 2 1 247.386 2.305 20 0 BEADMP Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)nc1 ZINC000334175553 346438442 /nfs/dbraw/zinc/43/84/42/346438442.db2.gz CJKZYYYVKLFKEJ-DZGCQCFKSA-N 2 1 247.386 2.305 20 0 BEADMP Cc1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)nc1 ZINC000334175553 346438446 /nfs/dbraw/zinc/43/84/46/346438446.db2.gz CJKZYYYVKLFKEJ-DZGCQCFKSA-N 2 1 247.386 2.305 20 0 BEADMP Cc1c[nH+]ccc1NC[C@H]1CCC[N@H+](C)C1 ZINC000070047285 349965166 /nfs/dbraw/zinc/96/51/66/349965166.db2.gz COZQPSTVNICZHU-GFCCVEGCSA-N 2 1 219.332 2.144 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](C)[C@H](C)C1CC1 ZINC000170794150 346451489 /nfs/dbraw/zinc/45/14/89/346451489.db2.gz SGKIQEQOQVEZRI-GFCCVEGCSA-N 2 1 212.381 2.449 20 0 BEADMP C[C@@H](C1CC1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000170794144 346451918 /nfs/dbraw/zinc/45/19/18/346451918.db2.gz TVHVQENCRVACLD-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP CCC(F)(F)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000641798172 362742421 /nfs/dbraw/zinc/74/24/21/362742421.db2.gz IFEQMKPWFWPSFI-RYUDHWBXSA-N 2 1 246.345 2.353 20 0 BEADMP CCC(F)(F)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000641798172 362742427 /nfs/dbraw/zinc/74/24/27/362742427.db2.gz IFEQMKPWFWPSFI-RYUDHWBXSA-N 2 1 246.345 2.353 20 0 BEADMP CCCc1[nH+]ccn1CCC1CC[NH2+]CC1 ZINC000069964373 349970304 /nfs/dbraw/zinc/97/03/04/349970304.db2.gz GNDPVHOXSVNDST-UHFFFAOYSA-N 2 1 221.348 2.225 20 0 BEADMP CC[C@@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)[C@H]1CCOC1 ZINC000580605089 365818566 /nfs/dbraw/zinc/81/85/66/365818566.db2.gz AJENJELJLLXGHH-MELADBBJSA-N 2 1 242.407 2.120 20 0 BEADMP CC[C@@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)[C@H]1CCOC1 ZINC000580605089 365818574 /nfs/dbraw/zinc/81/85/74/365818574.db2.gz AJENJELJLLXGHH-MELADBBJSA-N 2 1 242.407 2.120 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)C1CCSCC1 ZINC000186946838 346549841 /nfs/dbraw/zinc/54/98/41/346549841.db2.gz LITYXOQNEDIWKQ-LLVKDONJSA-N 2 1 242.432 2.202 20 0 BEADMP CC[C@@H](C)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000580211793 346684824 /nfs/dbraw/zinc/68/48/24/346684824.db2.gz JRYRTROLTPEAIO-GHMZBOCLSA-N 2 1 207.321 2.008 20 0 BEADMP C[C@H](c1ccccc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252699707 346780354 /nfs/dbraw/zinc/78/03/54/346780354.db2.gz VTIFYBOKHPLFSV-UPJWGTAASA-N 2 1 218.344 2.417 20 0 BEADMP Cc1cccc(OCC[N@H+](C)C2CC[NH2+]CC2)c1 ZINC000036300530 179166591 /nfs/dbraw/zinc/16/65/91/179166591.db2.gz KCFCJCLANCUZNI-UHFFFAOYSA-N 2 1 248.370 2.058 20 0 BEADMP Cc1cccc(OCC[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000228081180 179168143 /nfs/dbraw/zinc/16/81/43/179168143.db2.gz WWLCIKSNBIPCTD-KGLIPLIRSA-N 2 1 248.370 2.043 20 0 BEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000382101587 347168586 /nfs/dbraw/zinc/16/85/86/347168586.db2.gz GWPMVDISSALGBP-SJHCENCUSA-N 2 1 228.355 2.195 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000382101587 347168590 /nfs/dbraw/zinc/16/85/90/347168590.db2.gz GWPMVDISSALGBP-SJHCENCUSA-N 2 1 228.355 2.195 20 0 BEADMP Cc1ccsc1C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622006304 370656874 /nfs/dbraw/zinc/65/68/74/370656874.db2.gz XQVWAWVLLAWRDD-WCQYABFASA-N 2 1 236.384 2.370 20 0 BEADMP Cc1ccsc1C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622006304 370656876 /nfs/dbraw/zinc/65/68/76/370656876.db2.gz XQVWAWVLLAWRDD-WCQYABFASA-N 2 1 236.384 2.370 20 0 BEADMP Cc1ccsc1C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622006305 370657170 /nfs/dbraw/zinc/65/71/70/370657170.db2.gz XQVWAWVLLAWRDD-YPMHNXCESA-N 2 1 236.384 2.370 20 0 BEADMP Cc1ccsc1C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622006305 370657176 /nfs/dbraw/zinc/65/71/76/370657176.db2.gz XQVWAWVLLAWRDD-YPMHNXCESA-N 2 1 236.384 2.370 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C2CC(C)(C)C2)[C@@H](C)C1 ZINC000309665781 347132529 /nfs/dbraw/zinc/13/25/29/347132529.db2.gz TZMFZDDBCJMYGT-AAEUAGOBSA-N 2 1 224.392 2.495 20 0 BEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C(C)C)[C@H](C)C1 ZINC000151985382 347209069 /nfs/dbraw/zinc/20/90/69/347209069.db2.gz LNZCAAJHTOVZHE-KGLIPLIRSA-N 2 1 242.407 2.121 20 0 BEADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H](C)[NH3+])c1 ZINC000336405989 179189367 /nfs/dbraw/zinc/18/93/67/179189367.db2.gz KKCMPZMCZFJCRF-OCCSQVGLSA-N 2 1 218.344 2.479 20 0 BEADMP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H](C)[NH3+])c1 ZINC000336405989 179189370 /nfs/dbraw/zinc/18/93/70/179189370.db2.gz KKCMPZMCZFJCRF-OCCSQVGLSA-N 2 1 218.344 2.479 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000310393264 347275792 /nfs/dbraw/zinc/27/57/92/347275792.db2.gz DZYVMOQKXHKLOK-YIYPIFLZSA-N 2 1 242.407 2.261 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000310393264 347275794 /nfs/dbraw/zinc/27/57/94/347275794.db2.gz DZYVMOQKXHKLOK-YIYPIFLZSA-N 2 1 242.407 2.261 20 0 BEADMP C(CC1CCCC1)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357068181 187377217 /nfs/dbraw/zinc/37/72/17/187377217.db2.gz DKWFPLQEUWACPA-GJZGRUSLSA-N 2 1 236.403 2.498 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]C[C@]2(C)CCCS2)CC1 ZINC000392185351 347504089 /nfs/dbraw/zinc/50/40/89/347504089.db2.gz DAXPZWYIXUYCHY-ZDUSSCGKSA-N 2 1 240.416 2.124 20 0 BEADMP Cc1ccccc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122313705 179275473 /nfs/dbraw/zinc/27/54/73/179275473.db2.gz UHUWXBOGCHTLEN-STQMWFEESA-N 2 1 218.344 2.164 20 0 BEADMP Cc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000049712976 179275963 /nfs/dbraw/zinc/27/59/63/179275963.db2.gz RYRFEPQYAFWMQG-TZMCWYRMSA-N 2 1 218.344 2.164 20 0 BEADMP Cc1ccccc1OCCC[N@@H+]1CCC[NH2+]CC1 ZINC000041301840 179309529 /nfs/dbraw/zinc/30/95/29/179309529.db2.gz FZSGHYKHJGPLCB-UHFFFAOYSA-N 2 1 248.370 2.059 20 0 BEADMP Cc1ccccc1OCCC[N@H+]1CCC[NH2+]CC1 ZINC000041301840 179309531 /nfs/dbraw/zinc/30/95/31/179309531.db2.gz FZSGHYKHJGPLCB-UHFFFAOYSA-N 2 1 248.370 2.059 20 0 BEADMP CS[C@H]1CC[C@@H]1[NH2+]CCC[N@@H+](C)CC(C)C ZINC000593647111 347926477 /nfs/dbraw/zinc/92/64/77/347926477.db2.gz WJJXMMPBUDBPJV-STQMWFEESA-N 2 1 244.448 2.448 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2noc3ccccc32)C1 ZINC000577388592 365942915 /nfs/dbraw/zinc/94/29/15/365942915.db2.gz LLSMCRQPISAVTH-MNOVXSKESA-N 2 1 245.326 2.187 20 0 BEADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CC[NH3+])C1 ZINC000083008564 179330675 /nfs/dbraw/zinc/33/06/75/179330675.db2.gz KLBOPDPJDZOBBV-CHWSQXEVSA-N 2 1 218.344 2.132 20 0 BEADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CC[NH3+])C1 ZINC000083008564 179330677 /nfs/dbraw/zinc/33/06/77/179330677.db2.gz KLBOPDPJDZOBBV-CHWSQXEVSA-N 2 1 218.344 2.132 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CSCCF)C1 ZINC000595010211 348159915 /nfs/dbraw/zinc/15/99/15/348159915.db2.gz IZPGPNKGEUGIND-RYUDHWBXSA-N 2 1 248.411 2.009 20 0 BEADMP C[C@H](CSCCF)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000595015442 348186063 /nfs/dbraw/zinc/18/60/63/348186063.db2.gz FEDNYMWKBFDATF-NEPJUHHUSA-N 2 1 248.411 2.009 20 0 BEADMP CSCCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595507813 348264825 /nfs/dbraw/zinc/26/48/25/348264825.db2.gz RGWAJMUGHTWVDK-ZDUSSCGKSA-N 2 1 242.432 2.157 20 0 BEADMP CSCCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595507813 348264827 /nfs/dbraw/zinc/26/48/27/348264827.db2.gz RGWAJMUGHTWVDK-ZDUSSCGKSA-N 2 1 242.432 2.157 20 0 BEADMP CSCCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595507813 348264829 /nfs/dbraw/zinc/26/48/29/348264829.db2.gz RGWAJMUGHTWVDK-ZDUSSCGKSA-N 2 1 242.432 2.157 20 0 BEADMP Cc1cccnc1C[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000093465850 179385420 /nfs/dbraw/zinc/38/54/20/179385420.db2.gz MPTSALZKXHNMFI-OLZOCXBDSA-N 2 1 233.359 2.010 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)c1ccccn1 ZINC000123689432 187393426 /nfs/dbraw/zinc/39/34/26/187393426.db2.gz OKXPYBGSJHJLGU-QWHCGFSZSA-N 2 1 235.375 2.448 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000123689432 187393428 /nfs/dbraw/zinc/39/34/28/187393428.db2.gz OKXPYBGSJHJLGU-QWHCGFSZSA-N 2 1 235.375 2.448 20 0 BEADMP COC1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCC1 ZINC000623487583 362911241 /nfs/dbraw/zinc/91/12/41/362911241.db2.gz IXYHMTWJFWMNNS-LBPRGKRZSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000401891422 348606664 /nfs/dbraw/zinc/60/66/64/348606664.db2.gz XOWLQZICZCUFHO-DYEKYZERSA-N 2 1 235.375 2.377 20 0 BEADMP CC(C)=CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623505662 362929984 /nfs/dbraw/zinc/92/99/84/362929984.db2.gz LGFMWZUWWSDHOV-GFCCVEGCSA-N 2 1 210.365 2.415 20 0 BEADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000598976676 349070272 /nfs/dbraw/zinc/07/02/72/349070272.db2.gz ZLJISTRMITWPIQ-LLVKDONJSA-N 2 1 242.432 2.344 20 0 BEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)CC)C1 ZINC000248375590 349127362 /nfs/dbraw/zinc/12/73/62/349127362.db2.gz XFYATVOPTXIIJU-OLZOCXBDSA-N 2 1 212.381 2.449 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)CC)C1 ZINC000248375590 349127365 /nfs/dbraw/zinc/12/73/65/349127365.db2.gz XFYATVOPTXIIJU-OLZOCXBDSA-N 2 1 212.381 2.449 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)CC)C1 ZINC000248375590 349127371 /nfs/dbraw/zinc/12/73/71/349127371.db2.gz XFYATVOPTXIIJU-OLZOCXBDSA-N 2 1 212.381 2.449 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000530213022 323216771 /nfs/dbraw/zinc/21/67/71/323216771.db2.gz UBKMNAROPOIBEH-POQQGIQPSA-N 2 1 222.376 2.010 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CC2(F)F)CC1 ZINC000666226730 490283985 /nfs/dbraw/zinc/28/39/85/490283985.db2.gz DWNXSRVMTSJRAE-GXSJLCMTSA-N 2 1 232.318 2.104 20 0 BEADMP Cc1cncc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000397310593 350085165 /nfs/dbraw/zinc/08/51/65/350085165.db2.gz ORUHSGYKWBSUGU-GUTXKFCHSA-N 2 1 247.386 2.195 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(C)ccc2F)C1 ZINC000219960236 350153027 /nfs/dbraw/zinc/15/30/27/350153027.db2.gz BTCLATOCTOOLOC-LBPRGKRZSA-N 2 1 236.334 2.175 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(C)ccc2F)C1 ZINC000219960236 350153029 /nfs/dbraw/zinc/15/30/29/350153029.db2.gz BTCLATOCTOOLOC-LBPRGKRZSA-N 2 1 236.334 2.175 20 0 BEADMP CSCCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000133637408 191042430 /nfs/dbraw/zinc/04/24/30/191042430.db2.gz QIMVZSBPEYEUFG-JHJVBQTASA-N 2 1 244.448 2.448 20 0 BEADMP Cc1ncc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)s1 ZINC000069724474 180143341 /nfs/dbraw/zinc/14/33/41/180143341.db2.gz HACGSOIEGNJFIG-NSHDSACASA-N 2 1 239.388 2.012 20 0 BEADMP Cc1ncc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000227375105 180159205 /nfs/dbraw/zinc/15/92/05/180159205.db2.gz JHGWWOMRUAEPCI-ONGXEEELSA-N 2 1 239.388 2.024 20 0 BEADMP Cc1ncc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)s1 ZINC000227375105 180159208 /nfs/dbraw/zinc/15/92/08/180159208.db2.gz JHGWWOMRUAEPCI-ONGXEEELSA-N 2 1 239.388 2.024 20 0 BEADMP Cc1ncc(C[N@@H+]2CCCC[C@H]2CC[NH3+])s1 ZINC000069721146 180144557 /nfs/dbraw/zinc/14/45/57/180144557.db2.gz UCELTMLNPXXGRC-NSHDSACASA-N 2 1 239.388 2.155 20 0 BEADMP Cc1ncc(C[N@H+]2CCCC[C@H]2CC[NH3+])s1 ZINC000069721146 180144560 /nfs/dbraw/zinc/14/45/60/180144560.db2.gz UCELTMLNPXXGRC-NSHDSACASA-N 2 1 239.388 2.155 20 0 BEADMP C[C@@H](F)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623533114 362952018 /nfs/dbraw/zinc/95/20/18/362952018.db2.gz TXTZGDBRMSKNIH-MNOVXSKESA-N 2 1 216.344 2.197 20 0 BEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000083565809 350241234 /nfs/dbraw/zinc/24/12/34/350241234.db2.gz RCSXUZRJTLLVCH-GXFFZTMASA-N 2 1 204.317 2.075 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](CC(C)C)C1CC1 ZINC000336690282 180249379 /nfs/dbraw/zinc/24/93/79/180249379.db2.gz ARILAROFXQPAPN-UHFFFAOYSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](CC(C)C)C1CC1 ZINC000336690282 180249383 /nfs/dbraw/zinc/24/93/83/180249383.db2.gz ARILAROFXQPAPN-UHFFFAOYSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000355181595 180240317 /nfs/dbraw/zinc/24/03/17/180240317.db2.gz XZWCTUAJSHPBQV-ZIAGYGMSSA-N 2 1 233.359 2.456 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000355181595 180240320 /nfs/dbraw/zinc/24/03/20/180240320.db2.gz XZWCTUAJSHPBQV-ZIAGYGMSSA-N 2 1 233.359 2.456 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C2CC2)C1 ZINC000372858246 180241358 /nfs/dbraw/zinc/24/13/58/180241358.db2.gz ODZWPFJKNDRVOP-AWEZNQCLSA-N 2 1 233.359 2.314 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C2CC2)C1 ZINC000372858246 180241360 /nfs/dbraw/zinc/24/13/60/180241360.db2.gz ODZWPFJKNDRVOP-AWEZNQCLSA-N 2 1 233.359 2.314 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000355181593 180241433 /nfs/dbraw/zinc/24/14/33/180241433.db2.gz XZWCTUAJSHPBQV-UONOGXRCSA-N 2 1 233.359 2.456 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000355181593 180241435 /nfs/dbraw/zinc/24/14/35/180241435.db2.gz XZWCTUAJSHPBQV-UONOGXRCSA-N 2 1 233.359 2.456 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368083652 180241627 /nfs/dbraw/zinc/24/16/27/180241627.db2.gz NWNDTDLMVYNWMB-ZIAGYGMSSA-N 2 1 233.359 2.456 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000368083652 180241630 /nfs/dbraw/zinc/24/16/30/180241630.db2.gz NWNDTDLMVYNWMB-ZIAGYGMSSA-N 2 1 233.359 2.456 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]C1(c2ccccc2)CC1 ZINC000271799498 180260405 /nfs/dbraw/zinc/26/04/05/180260405.db2.gz JTRFCYUOVDFTKX-UHFFFAOYSA-N 2 1 241.338 2.470 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2ccccc21 ZINC000049330172 180262028 /nfs/dbraw/zinc/26/20/28/180262028.db2.gz OSYJSNPWCVASCN-HNNXBMFYSA-N 2 1 241.338 2.469 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H]1C[C@@H]1C ZINC000309801515 180264185 /nfs/dbraw/zinc/26/41/85/180264185.db2.gz WNPIOTVZOKXSPD-MDZLAQPJSA-N 2 1 221.348 2.073 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H]1CCC=CO1 ZINC000194194160 180265382 /nfs/dbraw/zinc/26/53/82/180265382.db2.gz WAXIOVXVKVHZAQ-TZMCWYRMSA-N 2 1 249.358 2.110 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccnc1 ZINC000105443313 180267243 /nfs/dbraw/zinc/26/72/43/180267243.db2.gz CAKRQMOAXKFJNJ-GFCCVEGCSA-N 2 1 244.342 2.012 20 0 BEADMP Cc1ncsc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000228290463 180314940 /nfs/dbraw/zinc/31/49/40/180314940.db2.gz MYGYFDWLGYLNFM-GXSJLCMTSA-N 2 1 239.388 2.011 20 0 BEADMP CC[C@@H]1CCC[N@H+]1CCn1ccnc1C ZINC000336646611 350415819 /nfs/dbraw/zinc/41/58/19/350415819.db2.gz KVAZFMZDCVHYOT-GFCCVEGCSA-N 2 1 207.321 2.066 20 0 BEADMP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623548232 362968031 /nfs/dbraw/zinc/96/80/31/362968031.db2.gz QSWKJPBUBXGNGY-UPJWGTAASA-N 2 1 240.391 2.016 20 0 BEADMP Cc1cnccc1CNCCC[N@H+](C)C(C)C ZINC000384942954 350650965 /nfs/dbraw/zinc/65/09/65/350650965.db2.gz KHJNEFKUROLAQY-UHFFFAOYSA-N 2 1 235.375 2.210 20 0 BEADMP Cc1cnccc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000384942954 350650968 /nfs/dbraw/zinc/65/09/68/350650968.db2.gz KHJNEFKUROLAQY-UHFFFAOYSA-N 2 1 235.375 2.210 20 0 BEADMP Cc1cnccc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000384942954 350650970 /nfs/dbraw/zinc/65/09/70/350650970.db2.gz KHJNEFKUROLAQY-UHFFFAOYSA-N 2 1 235.375 2.210 20 0 BEADMP C[C@H](C[N@@H+](C)C1CC([NH3+])C1)c1ccccc1 ZINC000384957138 350673233 /nfs/dbraw/zinc/67/32/33/350673233.db2.gz GWSMVXOMRLFKGH-LMWSTFAQSA-N 2 1 218.344 2.212 20 0 BEADMP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623558517 362981193 /nfs/dbraw/zinc/98/11/93/362981193.db2.gz AGILQMCDTQNJIW-SRVKXCTJSA-N 2 1 242.432 2.343 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)C2CC2)[C@H](C)C1 ZINC000252708829 538099838 /nfs/dbraw/zinc/09/98/38/538099838.db2.gz BFKMJMZKCAWKPO-SCRDCRAPSA-N 2 1 224.392 2.352 20 0 BEADMP CC(C)[NH+](CC[NH2+]CC1(C)CC1)C(C)C ZINC000389912862 351058643 /nfs/dbraw/zinc/05/86/43/351058643.db2.gz JXROLXQEPZNVMH-UHFFFAOYSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)[NH+]1CCC([N@@H+](C)CC2CC2)CC1 ZINC000336652633 191133680 /nfs/dbraw/zinc/13/36/80/191133680.db2.gz XBDMWDITUHISMP-UHFFFAOYSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccsc1 ZINC000063153014 351263938 /nfs/dbraw/zinc/26/39/38/351263938.db2.gz XJRXGAMYMXMLGZ-GXSJLCMTSA-N 2 1 210.346 2.060 20 0 BEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccsc1 ZINC000063153014 351263940 /nfs/dbraw/zinc/26/39/40/351263940.db2.gz XJRXGAMYMXMLGZ-GXSJLCMTSA-N 2 1 210.346 2.060 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000309436649 187482114 /nfs/dbraw/zinc/48/21/14/187482114.db2.gz NEGDYMYOAIEQQS-IHRRRGAJSA-N 2 1 224.392 2.210 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC2CC=CC2)CC1(C)C ZINC000623612616 363051341 /nfs/dbraw/zinc/05/13/41/363051341.db2.gz BERBWRLFVGNGJG-ZDUSSCGKSA-N 2 1 222.376 2.415 20 0 BEADMP CCC[C@@H](C[NH+]1CCC([NH2+]C(C)C)CC1)OC ZINC000637999499 351874997 /nfs/dbraw/zinc/87/49/97/351874997.db2.gz ONQPSOAIAAGFLY-AWEZNQCLSA-N 2 1 242.407 2.264 20 0 BEADMP CCC[C@@H](C[N@H+]1CC[C@H](C[NH+](C)CC)C1)OC ZINC000638131881 352001818 /nfs/dbraw/zinc/00/18/18/352001818.db2.gz FDSXJYKNRHGNFJ-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[C@@H](C[NH+]1CC[C@H](C[N@H+](C)CC)C1)OC ZINC000638131881 352001820 /nfs/dbraw/zinc/00/18/20/352001820.db2.gz FDSXJYKNRHGNFJ-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[C@@H](C[NH+]1CC[C@H](C[N@@H+](C)CC)C1)OC ZINC000638131881 352001823 /nfs/dbraw/zinc/00/18/23/352001823.db2.gz FDSXJYKNRHGNFJ-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP CCc1nc(N[C@@H](C)CC[NH+](C)C)cc(C)[nH+]1 ZINC000286470539 352090813 /nfs/dbraw/zinc/09/08/13/352090813.db2.gz YJVWTCFJNAQGNF-JTQLQIEISA-N 2 1 236.363 2.100 20 0 BEADMP CCOC1CC(C[NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000638337382 352156315 /nfs/dbraw/zinc/15/63/15/352156315.db2.gz FMFLGQMKYIJZHA-UHFFFAOYSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@H](C[NH2+][C@@H](C)[C@H]1CC1(F)F)[NH+]1CCCC1 ZINC000638354665 352169373 /nfs/dbraw/zinc/16/93/73/352169373.db2.gz SQEOFHKQWLJQGI-QJPTWQEYSA-N 2 1 246.345 2.494 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CS[C@@H](C)C1 ZINC000638387132 352196537 /nfs/dbraw/zinc/19/65/37/352196537.db2.gz STMYNRUZAUVYEB-CMPLNLGQSA-N 2 1 239.388 2.065 20 0 BEADMP CC(C)[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000257789558 535175996 /nfs/dbraw/zinc/17/59/96/535175996.db2.gz XGYZEFMDIWROOC-UONOGXRCSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1ccc(C)c(C[NH2+][C@H](C)[C@@H](C)[NH3+])c1 ZINC000415011577 352546629 /nfs/dbraw/zinc/54/66/29/352546629.db2.gz QSYFVPQXSFYGIO-VXGBXAGGSA-N 2 1 206.333 2.129 20 0 BEADMP CC[NH+]1CCC([N@H+](C)Cc2cccc(N)c2)CC1 ZINC000042614170 352623461 /nfs/dbraw/zinc/62/34/61/352623461.db2.gz CQQXFAIVZNJZBC-UHFFFAOYSA-N 2 1 247.386 2.185 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc(N)c2)CC1 ZINC000042614170 352623466 /nfs/dbraw/zinc/62/34/66/352623466.db2.gz CQQXFAIVZNJZBC-UHFFFAOYSA-N 2 1 247.386 2.185 20 0 BEADMP CC[N@H+](CCc1c[nH+]cn1C)Cc1occc1C ZINC000412023985 191237909 /nfs/dbraw/zinc/23/79/09/191237909.db2.gz FAJHXAQZPOGBNI-UHFFFAOYSA-N 2 1 247.342 2.386 20 0 BEADMP CC[N@@H+](CCc1c[nH+]cn1C)Cc1occc1C ZINC000412023985 191237911 /nfs/dbraw/zinc/23/79/11/191237911.db2.gz FAJHXAQZPOGBNI-UHFFFAOYSA-N 2 1 247.342 2.386 20 0 BEADMP Cc1c[nH+]ccc1N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000334191039 352781785 /nfs/dbraw/zinc/78/17/85/352781785.db2.gz HLDXSBZJTVLNKP-PBWFPOADSA-N 2 1 245.370 2.451 20 0 BEADMP c1cc2c(s1)C[N@@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000334319058 352949846 /nfs/dbraw/zinc/94/98/46/352949846.db2.gz XGUXTCQBEKKIIK-NSHDSACASA-N 2 1 236.384 2.106 20 0 BEADMP CCC([NH3+])(CC)C[NH2+]Cc1ccsc1 ZINC000086814771 535193835 /nfs/dbraw/zinc/19/38/35/535193835.db2.gz SYMDIIBGCSTCLR-UHFFFAOYSA-N 2 1 212.362 2.355 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000336753578 353107517 /nfs/dbraw/zinc/10/75/17/353107517.db2.gz FBGLCNLMODQANJ-KBPBESRZSA-N 2 1 222.376 2.249 20 0 BEADMP CC(C)C[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000355693240 188063683 /nfs/dbraw/zinc/06/36/83/188063683.db2.gz VBYXETRAMKOWCI-STQMWFEESA-N 2 1 212.381 2.305 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000304514159 188076722 /nfs/dbraw/zinc/07/67/22/188076722.db2.gz DSHXKISDGOSVPJ-KBPBESRZSA-N 2 1 224.392 2.354 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C2CCCC2)[C@@H]2CCC[C@H]21 ZINC000367625809 188082265 /nfs/dbraw/zinc/08/22/65/188082265.db2.gz ZAJPPFXMGKLSJP-MELADBBJSA-N 2 1 222.376 2.391 20 0 BEADMP C1C[N@@H+]2CCCC[C@H]2[C@@H]1[NH2+]C1CCSCC1 ZINC000036997090 188083216 /nfs/dbraw/zinc/08/32/16/188083216.db2.gz ZEYQMBAQXSVVBQ-OLZOCXBDSA-N 2 1 240.416 2.098 20 0 BEADMP C1C[N@H+]2CCCC[C@H]2[C@@H]1[NH2+]C1CCSCC1 ZINC000036997090 188083218 /nfs/dbraw/zinc/08/32/18/188083218.db2.gz ZEYQMBAQXSVVBQ-OLZOCXBDSA-N 2 1 240.416 2.098 20 0 BEADMP C1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000036996498 188104703 /nfs/dbraw/zinc/10/47/03/188104703.db2.gz UUCHMYHNJBPUCU-QWHCGFSZSA-N 2 1 208.349 2.145 20 0 BEADMP C1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000036996498 188104704 /nfs/dbraw/zinc/10/47/04/188104704.db2.gz UUCHMYHNJBPUCU-QWHCGFSZSA-N 2 1 208.349 2.145 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CCc1ccco1 ZINC000049566162 188124123 /nfs/dbraw/zinc/12/41/23/188124123.db2.gz WVNCNXIQVVGPIC-GFCCVEGCSA-N 2 1 247.342 2.395 20 0 BEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000086252921 188143398 /nfs/dbraw/zinc/14/33/98/188143398.db2.gz CYDBNXSONJUZMV-CQSZACIVSA-N 2 1 235.375 2.225 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000308988266 188166323 /nfs/dbraw/zinc/16/63/23/188166323.db2.gz MUTFPVFMKOZGGM-QNWHQSFQSA-N 2 1 212.381 2.349 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000308988266 188166324 /nfs/dbraw/zinc/16/63/24/188166324.db2.gz MUTFPVFMKOZGGM-QNWHQSFQSA-N 2 1 212.381 2.349 20 0 BEADMP C1C[C@H]2C[C@@H]([NH2+]C3CCSCC3)CC[N@H+]2C1 ZINC000106868998 188166872 /nfs/dbraw/zinc/16/68/72/188166872.db2.gz IRSLVGSOGWWFBB-STQMWFEESA-N 2 1 240.416 2.098 20 0 BEADMP CCC[C@H](CC)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000309189371 188167689 /nfs/dbraw/zinc/16/76/89/188167689.db2.gz PLTSJPCQCDBZMA-ZDUSSCGKSA-N 2 1 210.365 2.417 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000309436648 188168527 /nfs/dbraw/zinc/16/85/27/188168527.db2.gz NEGDYMYOAIEQQS-BFHYXJOUSA-N 2 1 224.392 2.210 20 0 BEADMP C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccsc1 ZINC000122726501 188186719 /nfs/dbraw/zinc/18/67/19/188186719.db2.gz BYFHNPHPLUQZHS-JQWIXIFHSA-N 2 1 224.373 2.178 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccsc1 ZINC000122726501 188186721 /nfs/dbraw/zinc/18/67/21/188186721.db2.gz BYFHNPHPLUQZHS-JQWIXIFHSA-N 2 1 224.373 2.178 20 0 BEADMP CC[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000251834493 353292869 /nfs/dbraw/zinc/29/28/69/353292869.db2.gz QFISPLDUTYATLE-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP c1coc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093450651 188222908 /nfs/dbraw/zinc/22/29/08/188222908.db2.gz FGNAUCRMFISYLH-HZSPNIEDSA-N 2 1 234.343 2.290 20 0 BEADMP Cc1ccsc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227057964 363227191 /nfs/dbraw/zinc/22/71/91/363227191.db2.gz SNXWKUQNDKWVLI-QWRGUYRKSA-N 2 1 224.373 2.226 20 0 BEADMP CC[N@@H+](CC1CCC1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000230321055 353487581 /nfs/dbraw/zinc/48/75/81/353487581.db2.gz QSRIDKGPERMGCK-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000094927764 353519377 /nfs/dbraw/zinc/51/93/77/353519377.db2.gz LFMUPRACUJWNTB-CQSZACIVSA-N 2 1 233.359 2.046 20 0 BEADMP CC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000094927764 353519378 /nfs/dbraw/zinc/51/93/78/353519378.db2.gz LFMUPRACUJWNTB-CQSZACIVSA-N 2 1 233.359 2.046 20 0 BEADMP CC[C@](C)(C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)OC ZINC000639106208 353621384 /nfs/dbraw/zinc/62/13/84/353621384.db2.gz XBUPFOKVWHUAPX-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+]1CCC([NH2+]C2CC3(CCC3)C2)CC1 ZINC000334516618 353631263 /nfs/dbraw/zinc/63/12/63/353631263.db2.gz NGIMJGHHEUBXPM-UHFFFAOYSA-N 2 1 222.376 2.393 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC000119998635 353693440 /nfs/dbraw/zinc/69/34/40/353693440.db2.gz ZILAIUPRSQHDGA-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@@H](C)C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000227193145 491055929 /nfs/dbraw/zinc/05/59/29/491055929.db2.gz XMHJMOOAPNVLBD-CHWSQXEVSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H](C)C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000227193145 491055930 /nfs/dbraw/zinc/05/59/30/491055930.db2.gz XMHJMOOAPNVLBD-CHWSQXEVSA-N 2 1 212.381 2.495 20 0 BEADMP Cc1ccc(F)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000220188630 353820438 /nfs/dbraw/zinc/82/04/38/353820438.db2.gz AZJHMHJMJIQWRQ-SMDDNHRTSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1ccc(F)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000220188630 353820439 /nfs/dbraw/zinc/82/04/39/353820439.db2.gz AZJHMHJMJIQWRQ-SMDDNHRTSA-N 2 1 236.334 2.303 20 0 BEADMP CC[C@H](C)C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000343437976 353886815 /nfs/dbraw/zinc/88/68/15/353886815.db2.gz BJGDXJGFQCZVHY-YNEHKIRRSA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@H](C)C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000343437976 353886816 /nfs/dbraw/zinc/88/68/16/353886816.db2.gz BJGDXJGFQCZVHY-YNEHKIRRSA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@H](C)C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000343437976 353886818 /nfs/dbraw/zinc/88/68/18/353886818.db2.gz BJGDXJGFQCZVHY-YNEHKIRRSA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@H](C)C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000343437976 353886819 /nfs/dbraw/zinc/88/68/19/353886819.db2.gz BJGDXJGFQCZVHY-YNEHKIRRSA-N 2 1 210.365 2.059 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000343614023 353933727 /nfs/dbraw/zinc/93/37/27/353933727.db2.gz IPDSJZKCPKORNS-CHWSQXEVSA-N 2 1 210.365 2.060 20 0 BEADMP CO[C@H](C[N@@H+](C)CCC[NH+](C)C)C1CCCC1 ZINC000639167268 354050259 /nfs/dbraw/zinc/05/02/59/354050259.db2.gz CGAAXMGVNXCXBS-CQSZACIVSA-N 2 1 242.407 2.075 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449741772 202015936 /nfs/dbraw/zinc/01/59/36/202015936.db2.gz LWHIQUHRYBYFQX-JSGCOSHPSA-N 2 1 245.370 2.283 20 0 BEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC2CC(F)(F)C2)CC1 ZINC000334582735 354203052 /nfs/dbraw/zinc/20/30/52/354203052.db2.gz OEJHPBVVMRLVCJ-GFCCVEGCSA-N 2 1 246.345 2.448 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639190430 354426577 /nfs/dbraw/zinc/42/65/77/354426577.db2.gz VSWKCPKLQCFWJF-FQUUOJAGSA-N 2 1 224.392 2.351 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639190430 354426578 /nfs/dbraw/zinc/42/65/78/354426578.db2.gz VSWKCPKLQCFWJF-FQUUOJAGSA-N 2 1 224.392 2.351 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639192814 354582992 /nfs/dbraw/zinc/58/29/92/354582992.db2.gz VSWKCPKLQCFWJF-YIYPIFLZSA-N 2 1 224.392 2.351 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639192814 354582995 /nfs/dbraw/zinc/58/29/95/354582995.db2.gz VSWKCPKLQCFWJF-YIYPIFLZSA-N 2 1 224.392 2.351 20 0 BEADMP CCC[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000233065268 363392619 /nfs/dbraw/zinc/39/26/19/363392619.db2.gz GPNZLNQFZJBTSS-RYUDHWBXSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H](CCc1ccccc1)C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000346677412 355010005 /nfs/dbraw/zinc/01/00/05/355010005.db2.gz ZOZYETMQQUEDHN-DZGCQCFKSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@@H](CCc1ccccc1)C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000346677412 355010008 /nfs/dbraw/zinc/01/00/08/355010008.db2.gz ZOZYETMQQUEDHN-DZGCQCFKSA-N 2 1 232.371 2.288 20 0 BEADMP C1CC2(C1)CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000335183085 355081357 /nfs/dbraw/zinc/08/13/57/355081357.db2.gz ZTNKALGDUSFPRY-RYUDHWBXSA-N 2 1 208.349 2.051 20 0 BEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC000335215934 355054381 /nfs/dbraw/zinc/05/43/81/355054381.db2.gz KORIKVQSEDSUNM-KBPBESRZSA-N 2 1 241.338 2.204 20 0 BEADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccs1 ZINC000335217869 355056425 /nfs/dbraw/zinc/05/64/25/355056425.db2.gz MDHNVSLRAMQJGP-NWDGAFQWSA-N 2 1 224.373 2.498 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@@H](C)C1 ZINC000346972751 355208512 /nfs/dbraw/zinc/20/85/12/355208512.db2.gz HXPYBTDNWFWDFX-RDBSUJKOSA-N 2 1 224.392 2.354 20 0 BEADMP CC(C)([NH3+])C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000346964818 355172319 /nfs/dbraw/zinc/17/23/19/355172319.db2.gz BVKGGWDAAVOESU-AWEZNQCLSA-N 2 1 247.386 2.300 20 0 BEADMP CC(C)([NH3+])C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000346964818 355172321 /nfs/dbraw/zinc/17/23/21/355172321.db2.gz BVKGGWDAAVOESU-AWEZNQCLSA-N 2 1 247.386 2.300 20 0 BEADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1sccc1Cl ZINC000335256424 355189643 /nfs/dbraw/zinc/18/96/43/355189643.db2.gz QJKANXLUJGKOEF-WPRPVWTQSA-N 2 1 244.791 2.489 20 0 BEADMP C[C@@H]1CC[C@@]2(CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)C1 ZINC000347000067 355196753 /nfs/dbraw/zinc/19/67/53/355196753.db2.gz YKRJHKIOIJPCIJ-QLFBSQMISA-N 2 1 236.403 2.498 20 0 BEADMP Fc1ccccc1C1([NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC000347000838 355197881 /nfs/dbraw/zinc/19/78/81/355197881.db2.gz ZOVRGALIMYWZOD-LBPRGKRZSA-N 2 1 248.345 2.404 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)CC[NH2+]1 ZINC000335259720 355199954 /nfs/dbraw/zinc/19/99/54/355199954.db2.gz LPRXTFWWKUJRHU-RNCFNFMXSA-N 2 1 240.297 2.195 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1ccccc1OC ZINC000435876429 191329081 /nfs/dbraw/zinc/32/90/81/191329081.db2.gz IMROIHWTRCOFQV-CQSZACIVSA-N 2 1 248.370 2.442 20 0 BEADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1CC1(F)F ZINC000639245162 355240843 /nfs/dbraw/zinc/24/08/43/355240843.db2.gz STCMHMLOQKCQTF-PWSUYJOCSA-N 2 1 246.345 2.494 20 0 BEADMP CC[C@@H](C[N@H+]1CC[C@H](C[NH+](CC)CC)C1)OC ZINC000412975994 191346831 /nfs/dbraw/zinc/34/68/31/191346831.db2.gz HGJZYKGIVSIXKD-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP CC[C@H](C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C)OC ZINC000412978751 191348816 /nfs/dbraw/zinc/34/88/16/191348816.db2.gz RAENIUXGXWCRLM-MGPQQGTHSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@H](C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C)OC ZINC000412978751 191348818 /nfs/dbraw/zinc/34/88/18/191348818.db2.gz RAENIUXGXWCRLM-MGPQQGTHSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@H](C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C)OC ZINC000412978751 191348821 /nfs/dbraw/zinc/34/88/21/191348821.db2.gz RAENIUXGXWCRLM-MGPQQGTHSA-N 2 1 242.407 2.074 20 0 BEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639256715 355300127 /nfs/dbraw/zinc/30/01/27/355300127.db2.gz DUJPVZQWXUBQDH-XQLPTFJDSA-N 2 1 236.403 2.354 20 0 BEADMP CC(C)(C)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414783759 191567762 /nfs/dbraw/zinc/56/77/62/191567762.db2.gz QMJOFFZZXNFTGM-STQMWFEESA-N 2 1 224.392 2.354 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(Cl)c1F ZINC000414833072 191593178 /nfs/dbraw/zinc/59/31/78/191593178.db2.gz GBGFWWJMEIEHLY-VIFPVBQESA-N 2 1 244.741 2.424 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000414886996 191615975 /nfs/dbraw/zinc/61/59/75/191615975.db2.gz WHWQDARSYVRFNF-DZGCQCFKSA-N 2 1 247.386 2.340 20 0 BEADMP CCC(CC)(CC)C[N@@H+](C)CCC[NH3+] ZINC000395117050 355519481 /nfs/dbraw/zinc/51/94/81/355519481.db2.gz HJPZGCVMPHQBGC-UHFFFAOYSA-N 2 1 200.370 2.483 20 0 BEADMP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000583545701 355521974 /nfs/dbraw/zinc/52/19/74/355521974.db2.gz LAYHAKNSZXFPJU-JSGCOSHPSA-N 2 1 236.359 2.142 20 0 BEADMP CC(C)[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCS1 ZINC000335837722 355566402 /nfs/dbraw/zinc/56/64/02/355566402.db2.gz NYCBVLMCRPBMAQ-OLZOCXBDSA-N 2 1 242.432 2.059 20 0 BEADMP CC(C)[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCS1 ZINC000335837729 355566505 /nfs/dbraw/zinc/56/65/05/355566505.db2.gz NYCBVLMCRPBMAQ-STQMWFEESA-N 2 1 242.432 2.059 20 0 BEADMP C[C@@H](CC1CC1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415063935 191664885 /nfs/dbraw/zinc/66/48/85/191664885.db2.gz JGPKWROQYBCDEK-GXFFZTMASA-N 2 1 210.365 2.282 20 0 BEADMP C[C@H]1CCCC[N@@H+](CCCc2cncn2C)C1 ZINC000582189536 355693527 /nfs/dbraw/zinc/69/35/27/355693527.db2.gz SPNYSLWXXBUMDC-ZDUSSCGKSA-N 2 1 235.375 2.475 20 0 BEADMP Cc1cccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1C ZINC000216010436 355795695 /nfs/dbraw/zinc/79/56/95/355795695.db2.gz USOJHFQEAMHYFS-JSGCOSHPSA-N 2 1 232.371 2.473 20 0 BEADMP C[C@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H]1C ZINC000351439998 355992585 /nfs/dbraw/zinc/99/25/85/355992585.db2.gz ZXBXCPQIAUTYLW-MJBXVCDLSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC000351439998 355992588 /nfs/dbraw/zinc/99/25/88/355992588.db2.gz ZXBXCPQIAUTYLW-MJBXVCDLSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC000351439998 355992591 /nfs/dbraw/zinc/99/25/91/355992591.db2.gz ZXBXCPQIAUTYLW-MJBXVCDLSA-N 2 1 224.392 2.449 20 0 BEADMP Cc1ccc(CC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000351495958 356002657 /nfs/dbraw/zinc/00/26/57/356002657.db2.gz QISUVHKFVRAMGI-HRCADAONSA-N 2 1 244.382 2.207 20 0 BEADMP C[C@H](F)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000351882133 356120326 /nfs/dbraw/zinc/12/03/26/356120326.db2.gz PAWWWSODHUGBPX-RWMBFGLXSA-N 2 1 228.355 2.151 20 0 BEADMP C[C@H](F)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000351882133 356120330 /nfs/dbraw/zinc/12/03/30/356120330.db2.gz PAWWWSODHUGBPX-RWMBFGLXSA-N 2 1 228.355 2.151 20 0 BEADMP C[C@H](F)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000351882133 356120333 /nfs/dbraw/zinc/12/03/33/356120333.db2.gz PAWWWSODHUGBPX-RWMBFGLXSA-N 2 1 228.355 2.151 20 0 BEADMP Cc1ccc(CC[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000351861977 356099092 /nfs/dbraw/zinc/09/90/92/356099092.db2.gz MRYFCJPGDDJQNY-DZGCQCFKSA-N 2 1 232.371 2.207 20 0 BEADMP CCc1ccc(CC[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000351861575 356099457 /nfs/dbraw/zinc/09/94/57/356099457.db2.gz KRIDWAGZXOIVOM-CZUORRHYSA-N 2 1 246.398 2.461 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCF)[C@@H](C)C1 ZINC000351866491 356102748 /nfs/dbraw/zinc/10/27/48/356102748.db2.gz XDHSWVOCAXCIEJ-STQMWFEESA-N 2 1 230.371 2.398 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCF)[C@@H](C)C1 ZINC000351866491 356102754 /nfs/dbraw/zinc/10/27/54/356102754.db2.gz XDHSWVOCAXCIEJ-STQMWFEESA-N 2 1 230.371 2.398 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCF)[C@@H](C)C1 ZINC000351866491 356102758 /nfs/dbraw/zinc/10/27/58/356102758.db2.gz XDHSWVOCAXCIEJ-STQMWFEESA-N 2 1 230.371 2.398 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCCc1ccncc1 ZINC000420264619 192191441 /nfs/dbraw/zinc/19/14/41/192191441.db2.gz ASGMHYVCUFFGLO-DZGCQCFKSA-N 2 1 247.386 2.216 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCCc1ccncc1 ZINC000420264619 192191443 /nfs/dbraw/zinc/19/14/43/192191443.db2.gz ASGMHYVCUFFGLO-DZGCQCFKSA-N 2 1 247.386 2.216 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCCc1ccncc1 ZINC000420264623 192192093 /nfs/dbraw/zinc/19/20/93/192192093.db2.gz ASGMHYVCUFFGLO-ZFWWWQNUSA-N 2 1 247.386 2.216 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCCc1ccncc1 ZINC000420264623 192192096 /nfs/dbraw/zinc/19/20/96/192192096.db2.gz ASGMHYVCUFFGLO-ZFWWWQNUSA-N 2 1 247.386 2.216 20 0 BEADMP CCC[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420297082 192204896 /nfs/dbraw/zinc/20/48/96/192204896.db2.gz FINZSZGNUHZINE-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP CSc1ccccc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000420298773 192205767 /nfs/dbraw/zinc/20/57/67/192205767.db2.gz SQIGIBOHHQRACH-LLVKDONJSA-N 2 1 236.384 2.189 20 0 BEADMP CC[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330939 192214261 /nfs/dbraw/zinc/21/42/61/192214261.db2.gz QIJUWGRVSDWWHN-AVGNSLFASA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1CCC[C@@H](CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000420334909 192215009 /nfs/dbraw/zinc/21/50/09/192215009.db2.gz GVUVEDINBJAJHD-XQLPTFJDSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H]1CCC[C@@H](CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000420334909 192215010 /nfs/dbraw/zinc/21/50/10/192215010.db2.gz GVUVEDINBJAJHD-XQLPTFJDSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H]1CCC[C@H](CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000420334912 192215235 /nfs/dbraw/zinc/21/52/35/192215235.db2.gz GVUVEDINBJAJHD-YJNKXOJESA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H]1CCC[C@H](CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000420334912 192215236 /nfs/dbraw/zinc/21/52/36/192215236.db2.gz GVUVEDINBJAJHD-YJNKXOJESA-N 2 1 236.403 2.497 20 0 BEADMP FCCCCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420353211 192216936 /nfs/dbraw/zinc/21/69/36/192216936.db2.gz AWIPWJCWBVNYKN-ZDUSSCGKSA-N 2 1 228.355 2.202 20 0 BEADMP CCc1cccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000420307793 192209299 /nfs/dbraw/zinc/20/92/99/192209299.db2.gz CLLGXNGOGBVXLF-OAHLLOKOSA-N 2 1 232.371 2.420 20 0 BEADMP C(C[N@H+]1CCC[C@H]1C1CCC1)[C@H]1CC[NH2+]C1 ZINC000420306640 192209592 /nfs/dbraw/zinc/20/95/92/192209592.db2.gz QREMSUZPLMMJRH-OCCSQVGLSA-N 2 1 222.376 2.251 20 0 BEADMP C[N@@H+](CCCc1ccncc1)[C@H]1CCC[NH2+]CC1 ZINC000420305029 192209745 /nfs/dbraw/zinc/20/97/45/192209745.db2.gz FTQKTLGMZMGRSD-HNNXBMFYSA-N 2 1 247.386 2.088 20 0 BEADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000420312756 192210492 /nfs/dbraw/zinc/21/04/92/192210492.db2.gz XDWIVPOZKGOBIQ-DZGCQCFKSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000420312756 192210495 /nfs/dbraw/zinc/21/04/95/192210495.db2.gz XDWIVPOZKGOBIQ-DZGCQCFKSA-N 2 1 232.371 2.288 20 0 BEADMP CCc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000420311388 192211371 /nfs/dbraw/zinc/21/13/71/192211371.db2.gz RBDVXMNDVUEMCZ-ARFHVFGLSA-N 2 1 244.382 2.418 20 0 BEADMP CCc1cccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000420317232 192212256 /nfs/dbraw/zinc/21/22/56/192212256.db2.gz MRSUGQPYIOETSF-WFASDCNBSA-N 2 1 232.371 2.418 20 0 BEADMP CCc1cccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000420317224 192212261 /nfs/dbraw/zinc/21/22/61/192212261.db2.gz MRSUGQPYIOETSF-IUODEOHRSA-N 2 1 232.371 2.418 20 0 BEADMP c1ccc(C[N@H+](CC[C@@H]2CC[NH2+]C2)C2CC2)nc1 ZINC000420370798 192227441 /nfs/dbraw/zinc/22/74/41/192227441.db2.gz ZEOHVOXRPRNUCI-ZDUSSCGKSA-N 2 1 245.370 2.046 20 0 BEADMP COCCCCC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420370142 192227702 /nfs/dbraw/zinc/22/77/02/192227702.db2.gz OQVZRKLCPMCVME-CQSZACIVSA-N 2 1 242.407 2.300 20 0 BEADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000639532162 356381756 /nfs/dbraw/zinc/38/17/56/356381756.db2.gz BIMFKAYCJCBTOX-YNEHKIRRSA-N 2 1 249.358 2.014 20 0 BEADMP CN(CC[NH2+][C@H](C[NH3+])C(C)(C)C)c1ccccc1 ZINC000420357836 192219680 /nfs/dbraw/zinc/21/96/80/192219680.db2.gz HWBGHOBEYQMKIZ-CQSZACIVSA-N 2 1 249.402 2.086 20 0 BEADMP CC[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H](C)[NH3+] ZINC000420356963 192220048 /nfs/dbraw/zinc/22/00/48/192220048.db2.gz HIDGLPDBINMSMK-BXUZGUMPSA-N 2 1 218.344 2.171 20 0 BEADMP CC[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H](C)[NH3+] ZINC000420356963 192220050 /nfs/dbraw/zinc/22/00/50/192220050.db2.gz HIDGLPDBINMSMK-BXUZGUMPSA-N 2 1 218.344 2.171 20 0 BEADMP Cc1ccc([C@]2(C)CC[N@@H+](C[C@H](C)[NH3+])C2)cc1 ZINC000420357479 192220538 /nfs/dbraw/zinc/22/05/38/192220538.db2.gz HYDPUFQKESKLMN-DZGCQCFKSA-N 2 1 232.371 2.306 20 0 BEADMP Cc1ccc([C@]2(C)CC[N@H+](C[C@H](C)[NH3+])C2)cc1 ZINC000420357479 192220540 /nfs/dbraw/zinc/22/05/40/192220540.db2.gz HYDPUFQKESKLMN-DZGCQCFKSA-N 2 1 232.371 2.306 20 0 BEADMP c1cncc([C@@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000420354794 192220887 /nfs/dbraw/zinc/22/08/87/192220887.db2.gz DKELWUYPNHISHL-HIFRSBDPSA-N 2 1 245.370 2.218 20 0 BEADMP [NH3+]CC[NH2+]C1(c2ccccc2)CCCCC1 ZINC000420362640 192222661 /nfs/dbraw/zinc/22/26/61/192222661.db2.gz AZTSTXSMRQFWBI-UHFFFAOYSA-N 2 1 218.344 2.394 20 0 BEADMP [NH3+]C[C@@H]([NH2+]CCc1cccnc1)C1CCCCC1 ZINC000420369336 192225253 /nfs/dbraw/zinc/22/52/53/192225253.db2.gz OISQDJAHDLCANF-OAHLLOKOSA-N 2 1 247.386 2.121 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc1F ZINC000420415724 192241434 /nfs/dbraw/zinc/24/14/34/192241434.db2.gz VDEJXEXJHUWWKI-NXEZZACHSA-N 2 1 210.296 2.132 20 0 BEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCCCCF ZINC000420375583 192231959 /nfs/dbraw/zinc/23/19/59/192231959.db2.gz TYUXZJYKCWQWIP-GRYCIOLGSA-N 2 1 216.344 2.102 20 0 BEADMP CO[C@H](C)C[N@@H+](C)Cc1c(C)cc(C)nc1C ZINC000639644338 356557991 /nfs/dbraw/zinc/55/79/91/356557991.db2.gz PYFSAWYOSSYTOG-GFCCVEGCSA-N 2 1 236.359 2.474 20 0 BEADMP CCC1(C[NH2+][C@H](C)c2c[nH+]ccc2N)CC1 ZINC000422922306 192506972 /nfs/dbraw/zinc/50/69/72/192506972.db2.gz SPBDAWUCXJQCHU-SNVBAGLBSA-N 2 1 219.332 2.335 20 0 BEADMP Cc1ccsc1CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423013403 192538570 /nfs/dbraw/zinc/53/85/70/192538570.db2.gz FVHZNSRSQRKIJM-NEPJUHHUSA-N 2 1 238.400 2.329 20 0 BEADMP C[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC000639757202 356663792 /nfs/dbraw/zinc/66/37/92/356663792.db2.gz IQEHNCQVAAKCOW-UHFFFAOYSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC2(CC[N@@H+](CCC3CC3)C2)CC1 ZINC000639754534 356656452 /nfs/dbraw/zinc/65/64/52/356656452.db2.gz BYLDDMPJRNHYHQ-UHFFFAOYSA-N 2 1 222.376 2.204 20 0 BEADMP CCC(F)(F)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756173 356659434 /nfs/dbraw/zinc/65/94/34/356659434.db2.gz QXQKNWZADUYJQM-UHFFFAOYSA-N 2 1 246.345 2.449 20 0 BEADMP CCC(F)(F)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756173 356659436 /nfs/dbraw/zinc/65/94/36/356659436.db2.gz QXQKNWZADUYJQM-UHFFFAOYSA-N 2 1 246.345 2.449 20 0 BEADMP C[C@@H]1CC[N@@H+](CCc2ccccc2)C[C@@H]1C[NH3+] ZINC000167770713 134153655 /nfs/dbraw/zinc/15/36/55/134153655.db2.gz OYSUCDPVLWUZII-HIFRSBDPSA-N 2 1 232.371 2.146 20 0 BEADMP CCOCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166221850 538616811 /nfs/dbraw/zinc/61/68/11/538616811.db2.gz SFEZTFSMGHFBTK-UONOGXRCSA-N 2 1 240.391 2.020 20 0 BEADMP CCC(=O)CCC[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000450467071 202174592 /nfs/dbraw/zinc/17/45/92/202174592.db2.gz KHULMFFBGCUZJR-CHWSQXEVSA-N 2 1 240.391 2.160 20 0 BEADMP CCc1cc(NC2(C[NH+](C)C)CCC2)nc(C)[nH+]1 ZINC000281957409 538718995 /nfs/dbraw/zinc/71/89/95/538718995.db2.gz SOQAXADXJRPJTD-UHFFFAOYSA-N 2 1 248.374 2.244 20 0 BEADMP COCCCCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623385282 356910991 /nfs/dbraw/zinc/91/09/91/356910991.db2.gz AJQFGDQIWKFENM-CYBMUJFWSA-N 2 1 242.407 2.266 20 0 BEADMP CCc1cccc(F)c1C[N@H+](C)CCC[NH3+] ZINC000582301079 357037715 /nfs/dbraw/zinc/03/77/15/357037715.db2.gz QNSXDKUKUOOXLL-UHFFFAOYSA-N 2 1 224.323 2.169 20 0 BEADMP CCc1cccc(F)c1C[N@@H+](C)CCC[NH3+] ZINC000582301079 357037716 /nfs/dbraw/zinc/03/77/16/357037716.db2.gz QNSXDKUKUOOXLL-UHFFFAOYSA-N 2 1 224.323 2.169 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000389985077 357079248 /nfs/dbraw/zinc/07/92/48/357079248.db2.gz LQOQQENCGBIGTI-XQQFMLRXSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000389985074 357079437 /nfs/dbraw/zinc/07/94/37/357079437.db2.gz LQOQQENCGBIGTI-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H](C)CCC(C)(C)C ZINC000423236599 192645016 /nfs/dbraw/zinc/64/50/16/192645016.db2.gz OLWOAYSRANMXAV-NSHDSACASA-N 2 1 200.370 2.400 20 0 BEADMP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423262793 192657788 /nfs/dbraw/zinc/65/77/88/192657788.db2.gz NLSRMKIHVJKQDC-BFHYXJOUSA-N 2 1 242.407 2.155 20 0 BEADMP CC(C)C[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000373107395 357118300 /nfs/dbraw/zinc/11/83/00/357118300.db2.gz SCNGZVWZYPGZBR-LBPRGKRZSA-N 2 1 221.348 2.256 20 0 BEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000628425707 357253397 /nfs/dbraw/zinc/25/33/97/357253397.db2.gz SNBGIOCXBXMITM-APIJFGDWSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)C2CCC2)C1 ZINC000381465731 357264283 /nfs/dbraw/zinc/26/42/83/357264283.db2.gz LDDZZYCVWBMIAG-CHWSQXEVSA-N 2 1 224.392 2.495 20 0 BEADMP CCCn1ccc(C[N@H+](C)CCC[NH+](C)C)c1 ZINC000582718350 357370438 /nfs/dbraw/zinc/37/04/38/357370438.db2.gz HIYKNQWZGGCRGE-UHFFFAOYSA-N 2 1 237.391 2.282 20 0 BEADMP CCCn1ccc(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000582718350 357370442 /nfs/dbraw/zinc/37/04/42/357370442.db2.gz HIYKNQWZGGCRGE-UHFFFAOYSA-N 2 1 237.391 2.282 20 0 BEADMP C[C@@H]1C[N@H+](CC[NH2+]C(C)(C)C)C(C)(C)C1 ZINC000380253451 357322063 /nfs/dbraw/zinc/32/20/63/357322063.db2.gz QUMDXLFBTOXNAB-NSHDSACASA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1C[N@@H+](CC[NH2+]C(C)(C)C)C(C)(C)C1 ZINC000380253451 357322065 /nfs/dbraw/zinc/32/20/65/357322065.db2.gz QUMDXLFBTOXNAB-NSHDSACASA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC(F)(F)F ZINC000063099445 357525525 /nfs/dbraw/zinc/52/55/25/357525525.db2.gz SFDKIKCLOXLEAA-KXUCPTDWSA-N 2 1 238.297 2.257 20 0 BEADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000230656969 357545105 /nfs/dbraw/zinc/54/51/05/357545105.db2.gz YBPNIFVWULNFES-XJFOESAGSA-N 2 1 224.392 2.495 20 0 BEADMP CC[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639988740 358027916 /nfs/dbraw/zinc/02/79/16/358027916.db2.gz XVJCUBNFXLHKKB-UHFFFAOYSA-N 2 1 210.365 2.347 20 0 BEADMP C(C[N@@H+](C1CC1)C1CCCC1)[C@H]1CC[NH2+]C1 ZINC000584520220 358029647 /nfs/dbraw/zinc/02/96/47/358029647.db2.gz KDMRYOKDEVQDLF-GFCCVEGCSA-N 2 1 222.376 2.393 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)o1 ZINC000168722626 134247209 /nfs/dbraw/zinc/24/72/09/134247209.db2.gz MHUJINZTCFBGGP-NWDGAFQWSA-N 2 1 222.332 2.381 20 0 BEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1(C)CC1 ZINC000336762971 491119535 /nfs/dbraw/zinc/11/95/35/491119535.db2.gz ONSGARBCBUNADC-NSHDSACASA-N 2 1 208.349 2.027 20 0 BEADMP CCOC[C@H]1CCCC[N@@H+]1C[C@@H]([NH3+])CC(C)C ZINC000313209145 491120609 /nfs/dbraw/zinc/12/06/09/491120609.db2.gz GRCNVRYAYXFQGG-UONOGXRCSA-N 2 1 242.407 2.251 20 0 BEADMP CCOC[C@H]1CCCC[N@H+]1C[C@@H]([NH3+])CC(C)C ZINC000313209145 491120611 /nfs/dbraw/zinc/12/06/11/491120611.db2.gz GRCNVRYAYXFQGG-UONOGXRCSA-N 2 1 242.407 2.251 20 0 BEADMP Cc1csc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000223023583 358213997 /nfs/dbraw/zinc/21/39/97/358213997.db2.gz VVAJEVPTIRXYPC-AXFHLTTASA-N 2 1 239.388 2.372 20 0 BEADMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000219098196 134273656 /nfs/dbraw/zinc/27/36/56/134273656.db2.gz FGFOVDQKNMJXSB-MNOVXSKESA-N 2 1 222.307 2.167 20 0 BEADMP CC(C)[N@@H+](Cc1ccccn1)C[C@@H]1CCC[NH2+]C1 ZINC000226439429 358340265 /nfs/dbraw/zinc/34/02/65/358340265.db2.gz YIHOTAZRBREARO-CQSZACIVSA-N 2 1 247.386 2.292 20 0 BEADMP CC(C)[N@H+](Cc1ccccn1)C[C@@H]1CCC[NH2+]C1 ZINC000226439429 358340267 /nfs/dbraw/zinc/34/02/67/358340267.db2.gz YIHOTAZRBREARO-CQSZACIVSA-N 2 1 247.386 2.292 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C)C2)C1 ZINC000227200139 358350567 /nfs/dbraw/zinc/35/05/67/358350567.db2.gz ALEZIGMLRIHGLW-MGPQQGTHSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]([N@@H+](C)CC1CC[NH2+]CC1)C(C)(C)C ZINC000042781588 358358857 /nfs/dbraw/zinc/35/88/57/358358857.db2.gz QCLXCKZQVKZXSR-LLVKDONJSA-N 2 1 212.381 2.352 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000044426572 358408475 /nfs/dbraw/zinc/40/84/75/358408475.db2.gz KTDSUXHFCXJUET-UHFFFAOYSA-N 2 1 246.276 2.486 20 0 BEADMP C[C@H]([NH2+]Cc1c[nH+]ccc1N(C)C)C1CC1 ZINC000134997885 325387265 /nfs/dbraw/zinc/38/72/65/325387265.db2.gz VHDATOMRDMSGIZ-JTQLQIEISA-N 2 1 219.332 2.036 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000044534330 358389468 /nfs/dbraw/zinc/38/94/68/358389468.db2.gz XXCWCGMKENUIFH-KBPBESRZSA-N 2 1 222.376 2.274 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCCC2)CCO1 ZINC000131993701 358702789 /nfs/dbraw/zinc/70/27/89/358702789.db2.gz VYRKZWFBGAVBRH-QWHCGFSZSA-N 2 1 240.391 2.018 20 0 BEADMP C[NH+](C)CCCC[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000132078889 358705856 /nfs/dbraw/zinc/70/58/56/358705856.db2.gz XHIBOUBAEPTLBU-CABCVRRESA-N 2 1 247.386 2.063 20 0 BEADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000133880519 358771362 /nfs/dbraw/zinc/77/13/62/358771362.db2.gz FNFGSTXIJQXMSY-KBPBESRZSA-N 2 1 222.376 2.251 20 0 BEADMP FCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000133773917 358767277 /nfs/dbraw/zinc/76/72/77/358767277.db2.gz LRHXNOIBNDIKER-ZDUSSCGKSA-N 2 1 228.355 2.154 20 0 BEADMP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000132402714 358721786 /nfs/dbraw/zinc/72/17/86/358721786.db2.gz SIYXPCRGCOCYCW-KWCYVHTRSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000132402714 358721788 /nfs/dbraw/zinc/72/17/88/358721788.db2.gz SIYXPCRGCOCYCW-KWCYVHTRSA-N 2 1 222.376 2.391 20 0 BEADMP C[NH2+]C1CC[NH+](CCCOc2ccccc2)CC1 ZINC000052092352 358772542 /nfs/dbraw/zinc/77/25/42/358772542.db2.gz PBPASICPROULOR-UHFFFAOYSA-N 2 1 248.370 2.139 20 0 BEADMP CCCC[N@@H+](C)CC1CC[NH+](CCOC)CC1 ZINC000052208981 358776594 /nfs/dbraw/zinc/77/65/94/358776594.db2.gz XPNHKPVPXJWUBL-UHFFFAOYSA-N 2 1 242.407 2.077 20 0 BEADMP Cc1ccncc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000135429763 358837097 /nfs/dbraw/zinc/83/70/97/358837097.db2.gz KDHLSJHSAMTAHZ-UHFFFAOYSA-N 2 1 235.375 2.067 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cncc(C)c2)[C@@H](C)C1 ZINC000246541922 359145241 /nfs/dbraw/zinc/14/52/41/359145241.db2.gz WAFVRMLEVLBYAQ-ZFWWWQNUSA-N 2 1 247.386 2.210 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cncc(C)c2)[C@@H](C)C1 ZINC000246541922 359145247 /nfs/dbraw/zinc/14/52/47/359145247.db2.gz WAFVRMLEVLBYAQ-ZFWWWQNUSA-N 2 1 247.386 2.210 20 0 BEADMP CCCCOCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000247102393 359194004 /nfs/dbraw/zinc/19/40/04/359194004.db2.gz SLKJOVXCXFVEHJ-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccncc2)[C@@H](C)C1 ZINC000246948048 359175827 /nfs/dbraw/zinc/17/58/27/359175827.db2.gz ULUGHOHUTWVTLP-DZGCQCFKSA-N 2 1 247.386 2.244 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccncc2)[C@@H](C)C1 ZINC000246948048 359175832 /nfs/dbraw/zinc/17/58/32/359175832.db2.gz ULUGHOHUTWVTLP-DZGCQCFKSA-N 2 1 247.386 2.244 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccncc2)[C@@H](C)C1 ZINC000246948048 359175836 /nfs/dbraw/zinc/17/58/36/359175836.db2.gz ULUGHOHUTWVTLP-DZGCQCFKSA-N 2 1 247.386 2.244 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccncc2)[C@@H](C)C1 ZINC000246948048 359175842 /nfs/dbraw/zinc/17/58/42/359175842.db2.gz ULUGHOHUTWVTLP-DZGCQCFKSA-N 2 1 247.386 2.244 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccncc2)[C@@H](C)C1 ZINC000246948069 359176227 /nfs/dbraw/zinc/17/62/27/359176227.db2.gz ULUGHOHUTWVTLP-ZFWWWQNUSA-N 2 1 247.386 2.244 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccncc2)[C@@H](C)C1 ZINC000246948069 359176228 /nfs/dbraw/zinc/17/62/28/359176228.db2.gz ULUGHOHUTWVTLP-ZFWWWQNUSA-N 2 1 247.386 2.244 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccncc2)[C@@H](C)C1 ZINC000246948069 359176231 /nfs/dbraw/zinc/17/62/31/359176231.db2.gz ULUGHOHUTWVTLP-ZFWWWQNUSA-N 2 1 247.386 2.244 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccncc2)[C@@H](C)C1 ZINC000246948069 359176233 /nfs/dbraw/zinc/17/62/33/359176233.db2.gz ULUGHOHUTWVTLP-ZFWWWQNUSA-N 2 1 247.386 2.244 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]CCC(F)(F)F)CC1(C)C ZINC000623436183 359328460 /nfs/dbraw/zinc/32/84/60/359328460.db2.gz IFILNRFFYFEMSB-SECBINFHSA-N 2 1 238.297 2.401 20 0 BEADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)C1CC1 ZINC000423508466 192797975 /nfs/dbraw/zinc/79/79/75/192797975.db2.gz QVRATTDTMDBVPK-CHWSQXEVSA-N 2 1 210.365 2.282 20 0 BEADMP CCc1nc(C)cc(NCC[N@@H+]2CC=CCC2)n1 ZINC000287732919 359517515 /nfs/dbraw/zinc/51/75/15/359517515.db2.gz LVDYTAKVJGQFJL-UHFFFAOYSA-N 2 1 246.358 2.021 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CCSC[C@@H](C)C2)CC[NH2+]1 ZINC000379554244 359541553 /nfs/dbraw/zinc/54/15/53/359541553.db2.gz ZXCVMBKYZWSOOR-XQQFMLRXSA-N 2 1 242.432 2.059 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CCS[C@@H](C)CC2)CC[NH2+]1 ZINC000379545544 359541592 /nfs/dbraw/zinc/54/15/92/359541592.db2.gz YZESPCWETWGNNT-AGIUHOORSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCSC[C@@H](C)C2)CC[NH2+]1 ZINC000379554245 359541658 /nfs/dbraw/zinc/54/16/58/359541658.db2.gz ZXCVMBKYZWSOOR-YNEHKIRRSA-N 2 1 242.432 2.059 20 0 BEADMP CCC1(CC)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000087254628 359904108 /nfs/dbraw/zinc/90/41/08/359904108.db2.gz XJBCAXZXKGEGOI-ZDUSSCGKSA-N 2 1 224.392 2.498 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](F)C1 ZINC000451202935 202378938 /nfs/dbraw/zinc/37/89/38/202378938.db2.gz YGILEJFKLYVWMM-LBPRGKRZSA-N 2 1 225.311 2.016 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](F)C1 ZINC000451202935 202378942 /nfs/dbraw/zinc/37/89/42/202378942.db2.gz YGILEJFKLYVWMM-LBPRGKRZSA-N 2 1 225.311 2.016 20 0 BEADMP Cn1cncc1CCC[N@@H+](C)CC1CCCC1 ZINC000578638682 366615304 /nfs/dbraw/zinc/61/53/04/366615304.db2.gz BLQOYWPWINILEG-UHFFFAOYSA-N 2 1 235.375 2.475 20 0 BEADMP Cn1c[nH+]cc1CCC[N@H+](C)CC1CCCC1 ZINC000578638682 366615308 /nfs/dbraw/zinc/61/53/08/366615308.db2.gz BLQOYWPWINILEG-UHFFFAOYSA-N 2 1 235.375 2.475 20 0 BEADMP Cn1c[nH+]cc1CCC[N@@H+](C)CC1CCCC1 ZINC000578638682 366615312 /nfs/dbraw/zinc/61/53/12/366615312.db2.gz BLQOYWPWINILEG-UHFFFAOYSA-N 2 1 235.375 2.475 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C2(C)CCC2)CC1(C)C ZINC000623472376 360057024 /nfs/dbraw/zinc/05/70/24/360057024.db2.gz NNMJJXHXTMNBON-NSHDSACASA-N 2 1 210.365 2.391 20 0 BEADMP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000090176097 360062766 /nfs/dbraw/zinc/06/27/66/360062766.db2.gz VNTJYJUWWWZKQF-QNSTZXKLSA-N 2 1 224.392 2.493 20 0 BEADMP CCCC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000090402161 360071808 /nfs/dbraw/zinc/07/18/08/360071808.db2.gz HHUHOUJKNOHLQW-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C3CC3)CC2)[C@H](C)C1 ZINC000090772721 360086916 /nfs/dbraw/zinc/08/69/16/360086916.db2.gz IIZYEYHLZSPTOD-TZMCWYRMSA-N 2 1 236.403 2.497 20 0 BEADMP CCCC[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662718 360121932 /nfs/dbraw/zinc/12/19/32/360121932.db2.gz FCBXEHQVCGBHFV-MJBXVCDLSA-N 2 1 240.391 2.018 20 0 BEADMP CCCC[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091662718 360121936 /nfs/dbraw/zinc/12/19/36/360121936.db2.gz FCBXEHQVCGBHFV-MJBXVCDLSA-N 2 1 240.391 2.018 20 0 BEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccnc2C)C1 ZINC000093770638 360274294 /nfs/dbraw/zinc/27/42/94/360274294.db2.gz ORHJJXSZYFDDAT-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccnc2C)C1 ZINC000093770638 360274297 /nfs/dbraw/zinc/27/42/97/360274297.db2.gz ORHJJXSZYFDDAT-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccnc2C)C1 ZINC000093770638 360274300 /nfs/dbraw/zinc/27/43/00/360274300.db2.gz ORHJJXSZYFDDAT-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccnc2C)C1 ZINC000093770638 360274302 /nfs/dbraw/zinc/27/43/02/360274302.db2.gz ORHJJXSZYFDDAT-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP CC(C)CC[N@@H+](CCOCC[NH3+])C1CCCC1 ZINC000094849244 360322812 /nfs/dbraw/zinc/32/28/12/360322812.db2.gz WWGUHUVMUYGHRM-UHFFFAOYSA-N 2 1 242.407 2.252 20 0 BEADMP Cc1cncc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623475173 360421271 /nfs/dbraw/zinc/42/12/71/360421271.db2.gz CWZMNSJAMOQEFO-AWEZNQCLSA-N 2 1 247.386 2.352 20 0 BEADMP Cc1cncc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623475173 360421274 /nfs/dbraw/zinc/42/12/74/360421274.db2.gz CWZMNSJAMOQEFO-AWEZNQCLSA-N 2 1 247.386 2.352 20 0 BEADMP CC1CC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000161779187 360552851 /nfs/dbraw/zinc/55/28/51/360552851.db2.gz YACIYMGCMGWNQR-PYNQCMFNSA-N 2 1 208.349 2.001 20 0 BEADMP CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153764058 360778540 /nfs/dbraw/zinc/77/85/40/360778540.db2.gz WICISGAFBMOMTM-NEPJUHHUSA-N 2 1 210.365 2.391 20 0 BEADMP CC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000153764058 360778543 /nfs/dbraw/zinc/77/85/43/360778543.db2.gz WICISGAFBMOMTM-NEPJUHHUSA-N 2 1 210.365 2.391 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)CC[N@H+]1C ZINC000156096271 360948566 /nfs/dbraw/zinc/94/85/66/360948566.db2.gz FBQZSTGRTXPTSI-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC=CCC2)CC[N@@H+]1C ZINC000156129633 360950472 /nfs/dbraw/zinc/95/04/72/360950472.db2.gz DVCJSKRGMMLAKQ-AGIUHOORSA-N 2 1 208.349 2.167 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC=CCC2)CC[N@H+]1C ZINC000156129633 360950475 /nfs/dbraw/zinc/95/04/75/360950475.db2.gz DVCJSKRGMMLAKQ-AGIUHOORSA-N 2 1 208.349 2.167 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H]2C(C)C)CC1 ZINC000309673647 491153679 /nfs/dbraw/zinc/15/36/79/491153679.db2.gz WYKAWAWIZJCINH-KBPBESRZSA-N 2 1 224.392 2.495 20 0 BEADMP C(C1CC[NH2+]CC1)[N@H+]1CCCC2(CC2)CC1 ZINC000629505706 361101177 /nfs/dbraw/zinc/10/11/77/361101177.db2.gz OCFVGFLHINFXJS-UHFFFAOYSA-N 2 1 222.376 2.252 20 0 BEADMP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000629510640 361108473 /nfs/dbraw/zinc/10/84/73/361108473.db2.gz DMRYERMHSZHDOU-CYBMUJFWSA-N 2 1 247.386 2.294 20 0 BEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000629528171 361133042 /nfs/dbraw/zinc/13/30/42/361133042.db2.gz RBMIETJGIHZUJP-QJPTWQEYSA-N 2 1 208.349 2.049 20 0 BEADMP COc1ccc(F)c(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000622043632 370674235 /nfs/dbraw/zinc/67/42/35/370674235.db2.gz GKIAQKWPVHKEPH-NXEZZACHSA-N 2 1 240.322 2.050 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2cccs2)CCCC1 ZINC000040397654 181332249 /nfs/dbraw/zinc/33/22/49/181332249.db2.gz LENGYDPRYMSDHK-UHFFFAOYSA-N 2 1 210.346 2.109 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000629536663 361400042 /nfs/dbraw/zinc/40/00/42/361400042.db2.gz IJHQVOOMGRQERC-RKQHYHRCSA-N 2 1 222.376 2.010 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000429576513 201120065 /nfs/dbraw/zinc/12/00/65/201120065.db2.gz CKDUBOSFTJTOPX-WCQYABFASA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000429576513 201120069 /nfs/dbraw/zinc/12/00/69/201120069.db2.gz CKDUBOSFTJTOPX-WCQYABFASA-N 2 1 221.348 2.312 20 0 BEADMP Cc1cncc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC000629534727 361408250 /nfs/dbraw/zinc/40/82/50/361408250.db2.gz BCIXBHZARWNHOR-HNNXBMFYSA-N 2 1 247.386 2.387 20 0 BEADMP CC(C)C1CC([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000629542739 361420192 /nfs/dbraw/zinc/42/01/92/361420192.db2.gz KKMKGRMCFKMIBG-IGJPJIBNSA-N 2 1 210.365 2.151 20 0 BEADMP CC1(C)CCC(C)(C)[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000629544858 361424370 /nfs/dbraw/zinc/42/43/70/361424370.db2.gz JVIPJVRLEJIMIL-GFCCVEGCSA-N 2 1 224.392 2.497 20 0 BEADMP c1cncc([C@H]2CCC[C@H]([NH2+][C@@H]3CC[NH2+]C3)C2)c1 ZINC000629553034 361438093 /nfs/dbraw/zinc/43/80/93/361438093.db2.gz HJGMFRGDQRSOLZ-AEGPPILISA-N 2 1 245.370 2.059 20 0 BEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCc1ccccc1)C2 ZINC000629583769 361467484 /nfs/dbraw/zinc/46/74/84/361467484.db2.gz FRHOSLXZNKHNPS-IYBDPMFKSA-N 2 1 244.382 2.161 20 0 BEADMP FC1(F)CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000629559952 361454907 /nfs/dbraw/zinc/45/49/07/361454907.db2.gz VWFBECYDOUSXOL-GFCCVEGCSA-N 2 1 246.345 2.497 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCC[C@@H]1C ZINC000152422666 201199552 /nfs/dbraw/zinc/19/95/52/201199552.db2.gz NHGWEDVGQUDFHS-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCC[C@@H]1C ZINC000152422666 201199555 /nfs/dbraw/zinc/19/95/55/201199555.db2.gz NHGWEDVGQUDFHS-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCCC(F)(F)CC2)CC[NH2+]1 ZINC000629652794 361551522 /nfs/dbraw/zinc/55/15/22/361551522.db2.gz BIOVLGAXYBWQNA-VXGBXAGGSA-N 2 1 246.345 2.496 20 0 BEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccsc1)C2 ZINC000629662413 361594240 /nfs/dbraw/zinc/59/42/40/361594240.db2.gz CDNMIKLDBXPWBX-BETUJISGSA-N 2 1 236.384 2.180 20 0 BEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccsc1)C2 ZINC000629662413 361594244 /nfs/dbraw/zinc/59/42/44/361594244.db2.gz CDNMIKLDBXPWBX-BETUJISGSA-N 2 1 236.384 2.180 20 0 BEADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CCCC(C)(C)C1 ZINC000629661238 361594645 /nfs/dbraw/zinc/59/46/45/361594645.db2.gz BSBLSILMHIGATO-CYBMUJFWSA-N 2 1 242.407 2.110 20 0 BEADMP C[C@]1(C[N@H+]2CCCC3(CC3)CC2)CC[NH2+]C1 ZINC000629669574 361590062 /nfs/dbraw/zinc/59/00/62/361590062.db2.gz YEZVUCMDZIVDBG-ZDUSSCGKSA-N 2 1 222.376 2.252 20 0 BEADMP CC[C@@H]([NH2+][C@H](C)C[NH+](CC)CC)C1CC1 ZINC000083056255 491159521 /nfs/dbraw/zinc/15/95/21/491159521.db2.gz VYUAPOKDVNQJEZ-DGCLKSJQSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+][C@H]1C)Cc1ccccc1 ZINC000629672202 361614624 /nfs/dbraw/zinc/61/46/24/361614624.db2.gz NQZPYJVNTPLYSF-VNHYZAJKSA-N 2 1 232.371 2.205 20 0 BEADMP C[NH2+]CCC[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000435871732 201292897 /nfs/dbraw/zinc/29/28/97/201292897.db2.gz LJDMVYQHYQLNOR-UKRRQHHQSA-N 2 1 232.371 2.474 20 0 BEADMP C[NH2+]CCC[N@H+]1CCc2ccccc2[C@H]1C ZINC000435879470 201293824 /nfs/dbraw/zinc/29/38/24/201293824.db2.gz CRJVBGIJAJKUQM-GFCCVEGCSA-N 2 1 218.344 2.215 20 0 BEADMP CC(C)[C@H](C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156110629 201399320 /nfs/dbraw/zinc/39/93/20/201399320.db2.gz DPVZYFJCQRJZFN-MGPQQGTHSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C1CCCC1 ZINC000398952620 364279267 /nfs/dbraw/zinc/27/92/67/364279267.db2.gz FHDLECDDSUYUDF-NQBHXWOUSA-N 2 1 210.365 2.295 20 0 BEADMP CC1CCC([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000398971072 364400865 /nfs/dbraw/zinc/40/08/65/364400865.db2.gz WBDZXLQYWUOUOZ-KPFVRQRISA-N 2 1 210.365 2.295 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000579554004 366867533 /nfs/dbraw/zinc/86/75/33/366867533.db2.gz STJUZNVOPFDEQS-IGQOVBAYSA-N 2 1 242.407 2.262 20 0 BEADMP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000398997805 364666566 /nfs/dbraw/zinc/66/65/66/364666566.db2.gz QKUXDSBSRWLNCU-NQBHXWOUSA-N 2 1 238.400 2.409 20 0 BEADMP [NH3+]CCCC[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000036826505 181375983 /nfs/dbraw/zinc/37/59/83/181375983.db2.gz WRNWAXPGEMRLNZ-QWHCGFSZSA-N 2 1 210.365 2.380 20 0 BEADMP CC(C)[N@H+](CCCc1c[nH+]cn1C)CC1CC1 ZINC000574336082 365040274 /nfs/dbraw/zinc/04/02/74/365040274.db2.gz FWQZUGQTKXLRND-UHFFFAOYSA-N 2 1 235.375 2.473 20 0 BEADMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)CC1CC1 ZINC000574336082 365040278 /nfs/dbraw/zinc/04/02/78/365040278.db2.gz FWQZUGQTKXLRND-UHFFFAOYSA-N 2 1 235.375 2.473 20 0 BEADMP [NH3+]CC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000037712965 181396564 /nfs/dbraw/zinc/39/65/64/181396564.db2.gz WSIHFHHYIQOIDR-UONOGXRCSA-N 2 1 218.344 2.261 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2F)CC1 ZINC000334868714 365250640 /nfs/dbraw/zinc/25/06/40/365250640.db2.gz RTSYYABFNYJNAN-CHWSQXEVSA-N 2 1 228.355 2.341 20 0 BEADMP CC[C@H](CSC)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000162374594 541456897 /nfs/dbraw/zinc/45/68/97/541456897.db2.gz VEVTZUAXZHWZBR-UTUOFQBUSA-N 2 1 230.421 2.200 20 0 BEADMP CC[C@H](CSC)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000162374594 541456902 /nfs/dbraw/zinc/45/69/02/541456902.db2.gz VEVTZUAXZHWZBR-UTUOFQBUSA-N 2 1 230.421 2.200 20 0 BEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC2(C)CC2)C1 ZINC000575427331 365317330 /nfs/dbraw/zinc/31/73/30/365317330.db2.gz IQDPYNZYZNYRBT-CYBMUJFWSA-N 2 1 224.392 2.450 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC=C(C)C)C1 ZINC000173916489 365453671 /nfs/dbraw/zinc/45/36/71/365453671.db2.gz XDUFLPGFWCCERB-CYBMUJFWSA-N 2 1 210.365 2.226 20 0 BEADMP CC[NH+]1CCC([NH2+]C2(C(C)C)CC2)CC1 ZINC000340476405 365491387 /nfs/dbraw/zinc/49/13/87/365491387.db2.gz ARHSEHGTAKBHQV-UHFFFAOYSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2cccc(O)c2)CC[NH2+]1 ZINC000580939945 367210594 /nfs/dbraw/zinc/21/05/94/367210594.db2.gz NKZDVDVQNBLKHF-GXTWGEPZSA-N 2 1 248.370 2.212 20 0 BEADMP C(C[N@H+]1[C@H]2CC[C@@H]1CCC2)[C@@H]1CC[NH2+]C1 ZINC000380647467 367265872 /nfs/dbraw/zinc/26/58/72/367265872.db2.gz WKKHKRWNLMWDLH-RWMBFGLXSA-N 2 1 208.349 2.003 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000581059620 367248824 /nfs/dbraw/zinc/24/88/24/367248824.db2.gz QBIPOJLQPKDINJ-NSHDSACASA-N 2 1 228.286 2.451 20 0 BEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000381128749 367353330 /nfs/dbraw/zinc/35/33/30/367353330.db2.gz KCKMBZCRXPGSDU-IHRRRGAJSA-N 2 1 224.392 2.352 20 0 BEADMP C[NH+](C)CC1(C[NH2+]CC2(F)CC2)CCCC1 ZINC000381349068 367385905 /nfs/dbraw/zinc/38/59/05/367385905.db2.gz ZXYFQBKBEKTYLV-UHFFFAOYSA-N 2 1 228.355 2.200 20 0 BEADMP CC(C)[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CC1 ZINC000381366672 367389139 /nfs/dbraw/zinc/38/91/39/367389139.db2.gz DZPATAKZUAEDTD-AWEZNQCLSA-N 2 1 222.376 2.273 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC12CC2 ZINC000581380935 367411906 /nfs/dbraw/zinc/41/19/06/367411906.db2.gz JQFSAGAENAKOGS-LBPRGKRZSA-N 2 1 219.332 2.114 20 0 BEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1noc2ccccc12 ZINC000581440236 367472547 /nfs/dbraw/zinc/47/25/47/367472547.db2.gz ZJAHTOHVSZWSQW-UWVGGRQHSA-N 2 1 233.315 2.043 20 0 BEADMP CCCn1ccc(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000581499131 367526946 /nfs/dbraw/zinc/52/69/46/367526946.db2.gz USLOYPDYXGKCPW-UHFFFAOYSA-N 2 1 235.375 2.084 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]CCC[NH2+]C2CC2)o1 ZINC000382559911 367539924 /nfs/dbraw/zinc/53/99/24/367539924.db2.gz ROTJIGJBNPMLDK-NSHDSACASA-N 2 1 222.332 2.381 20 0 BEADMP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000382789851 367557456 /nfs/dbraw/zinc/55/74/56/367557456.db2.gz OJCXLXBSJPKAGI-STQMWFEESA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CC1(C)C ZINC000399124838 367596481 /nfs/dbraw/zinc/59/64/81/367596481.db2.gz JMCSZRLBWOOJHV-WISYIIOYSA-N 2 1 210.365 2.151 20 0 BEADMP C[C@@H](CCC1CC1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399135662 367646215 /nfs/dbraw/zinc/64/62/15/367646215.db2.gz QPCCXMUIGAUDIN-NTZNESFSSA-N 2 1 210.365 2.295 20 0 BEADMP CC[C@@H]1[C@@H](C)CC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000384027838 367669431 /nfs/dbraw/zinc/66/94/31/367669431.db2.gz ZECUUGQBEKPSEW-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1[C@H](C)CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000384026597 367669841 /nfs/dbraw/zinc/66/98/41/367669841.db2.gz YEZMKPBYPQIIJL-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP CC1CCC(C[N@@H+](C)C2CC([NH3+])C2)CC1 ZINC000384842794 367741773 /nfs/dbraw/zinc/74/17/73/367741773.db2.gz JLAHAGCDBXNOPH-UHFFFAOYSA-N 2 1 210.365 2.234 20 0 BEADMP CC/C=C/C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000384866946 367745620 /nfs/dbraw/zinc/74/56/20/367745620.db2.gz NZEHXOUCVMZTQD-SFTURWCGSA-N 2 1 210.365 2.271 20 0 BEADMP C[C@@H](C[N@@H+](C)C1CC([NH3+])C1)c1ccccc1 ZINC000384957149 367764399 /nfs/dbraw/zinc/76/43/99/367764399.db2.gz GWSMVXOMRLFKGH-XGNXJENSSA-N 2 1 218.344 2.212 20 0 BEADMP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cscn1 ZINC000581720315 367782746 /nfs/dbraw/zinc/78/27/46/367782746.db2.gz JHJNUCDMPFFKMG-AXFHLTTASA-N 2 1 239.388 2.311 20 0 BEADMP C[N@@H+](CCCCC1CCOCC1)C1CC([NH3+])C1 ZINC000385270580 367814826 /nfs/dbraw/zinc/81/48/26/367814826.db2.gz ZYBDTVDHQQBJSA-UHFFFAOYSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1C ZINC000385668383 367853566 /nfs/dbraw/zinc/85/35/66/367853566.db2.gz PHYKOMFUNCNUIC-CCJXIVEXSA-N 2 1 222.376 2.246 20 0 BEADMP CSC1(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000386539643 367988735 /nfs/dbraw/zinc/98/87/35/367988735.db2.gz CXSUGOFMJSYPLE-MNOVXSKESA-N 2 1 228.405 2.002 20 0 BEADMP CC(C)SCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386589770 367998485 /nfs/dbraw/zinc/99/84/85/367998485.db2.gz QZAMCJWUKYGCJW-NWDGAFQWSA-N 2 1 230.421 2.248 20 0 BEADMP C[C@@H](C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C(C)(C)C ZINC000399246836 368044904 /nfs/dbraw/zinc/04/49/04/368044904.db2.gz WGMJTRLTPUYOTB-QJPTWQEYSA-N 2 1 212.381 2.399 20 0 BEADMP CCC[N@H+](CC(F)F)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000387096567 368050673 /nfs/dbraw/zinc/05/06/73/368050673.db2.gz WIQKVFIIFDTTBP-GHMZBOCLSA-N 2 1 234.334 2.352 20 0 BEADMP CCC[N@@H+](CC(F)F)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000387096567 368050677 /nfs/dbraw/zinc/05/06/77/368050677.db2.gz WIQKVFIIFDTTBP-GHMZBOCLSA-N 2 1 234.334 2.352 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252800260 368092842 /nfs/dbraw/zinc/09/28/42/368092842.db2.gz WDYAOQCHEAOLCZ-FQUUOJAGSA-N 2 1 224.392 2.352 20 0 BEADMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000623657108 368997201 /nfs/dbraw/zinc/99/72/01/368997201.db2.gz JWUZLTPSELDXBW-OLZOCXBDSA-N 2 1 242.432 2.061 20 0 BEADMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000623657110 368997446 /nfs/dbraw/zinc/99/74/46/368997446.db2.gz JWUZLTPSELDXBW-STQMWFEESA-N 2 1 242.432 2.061 20 0 BEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000623656990 368997838 /nfs/dbraw/zinc/99/78/38/368997838.db2.gz HHZAHOAAHCZMRE-CHWSQXEVSA-N 2 1 242.432 2.204 20 0 BEADMP CC(C)OC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657095 368997995 /nfs/dbraw/zinc/99/79/95/368997995.db2.gz JRBYVINUVSXNDU-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](F)C2)CC[N@@H+]1C ZINC000567352308 326171941 /nfs/dbraw/zinc/17/19/41/326171941.db2.gz ZQCWLJFNFXIHRT-YVECIDJPSA-N 2 1 228.355 2.339 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](F)C2)CC[N@H+]1C ZINC000567352308 326171945 /nfs/dbraw/zinc/17/19/45/326171945.db2.gz ZQCWLJFNFXIHRT-YVECIDJPSA-N 2 1 228.355 2.339 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000623656020 368992748 /nfs/dbraw/zinc/99/27/48/368992748.db2.gz LBWDAIHWDVZINL-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656342 368993452 /nfs/dbraw/zinc/99/34/52/368993452.db2.gz SFHFTFUTXJPCJT-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1ccoc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656032 368993912 /nfs/dbraw/zinc/99/39/12/368993912.db2.gz LKMITRRJRCQQTJ-ZDUSSCGKSA-N 2 1 236.359 2.410 20 0 BEADMP Cc1ccoc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623656032 368993919 /nfs/dbraw/zinc/99/39/19/368993919.db2.gz LKMITRRJRCQQTJ-ZDUSSCGKSA-N 2 1 236.359 2.410 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C[NH3+] ZINC000631839738 369170024 /nfs/dbraw/zinc/17/00/24/369170024.db2.gz KFMZMSKVSFPESR-DGCLKSJQSA-N 2 1 210.365 2.093 20 0 BEADMP C[C@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C[NH3+] ZINC000631839739 369170378 /nfs/dbraw/zinc/17/03/78/369170378.db2.gz KFMZMSKVSFPESR-WCQYABFASA-N 2 1 210.365 2.093 20 0 BEADMP C[C@H](c1cccc(F)c1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000108278772 369384963 /nfs/dbraw/zinc/38/49/63/369384963.db2.gz JZLMABQRXXQCLW-RAIGVLPGSA-N 2 1 234.318 2.038 20 0 BEADMP CCc1ccc(CC[N@@H+]2C[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000631860326 369468088 /nfs/dbraw/zinc/46/80/88/369468088.db2.gz JKCSRKSPJPHIRH-SWLSCSKDSA-N 2 1 232.371 2.213 20 0 BEADMP CCc1ccc(CC[N@H+]2C[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000631860326 369468089 /nfs/dbraw/zinc/46/80/89/369468089.db2.gz JKCSRKSPJPHIRH-SWLSCSKDSA-N 2 1 232.371 2.213 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCSC2)C1 ZINC000459724463 203343200 /nfs/dbraw/zinc/34/32/00/203343200.db2.gz DSTOYNDQZPDNJP-CHWSQXEVSA-N 2 1 242.432 2.204 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc(O)c2)C1 ZINC000459728004 203343535 /nfs/dbraw/zinc/34/35/35/203343535.db2.gz HXBCARLSZTUGMF-CYBMUJFWSA-N 2 1 248.370 2.214 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+]CC(C)(C)C)C1 ZINC000459732719 203343946 /nfs/dbraw/zinc/34/39/46/203343946.db2.gz MPXHIENATIXJQZ-GFCCVEGCSA-N 2 1 212.381 2.354 20 0 BEADMP Cc1ccoc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459734149 203346938 /nfs/dbraw/zinc/34/69/38/203346938.db2.gz OFINLGIZZDWWAH-ZDUSSCGKSA-N 2 1 236.359 2.410 20 0 BEADMP CC1(C)CC(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)C1 ZINC000631889448 370976250 /nfs/dbraw/zinc/97/62/50/370976250.db2.gz GHLORJRQVBYHBA-UONOGXRCSA-N 2 1 236.403 2.497 20 0 BEADMP CC1(C)CC(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)C1 ZINC000631889448 370976255 /nfs/dbraw/zinc/97/62/55/370976255.db2.gz GHLORJRQVBYHBA-UONOGXRCSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000459779680 203365934 /nfs/dbraw/zinc/36/59/34/203365934.db2.gz LNDYZWCONYDWEF-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459795039 203373866 /nfs/dbraw/zinc/37/38/66/203373866.db2.gz XGVGBIPVMITCNQ-ZOBORPQBSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1CSC[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459798038 203373965 /nfs/dbraw/zinc/37/39/65/203373965.db2.gz XKELHXXGWGDTRY-UPJWGTAASA-N 2 1 242.432 2.059 20 0 BEADMP C[C@H](CC1CC1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459795986 203374410 /nfs/dbraw/zinc/37/44/10/203374410.db2.gz VRKWLJLPCUYNJB-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H](C[NH2+][C@H](C)C1CC1)[NH+]1CCCC1 ZINC000165256159 203382615 /nfs/dbraw/zinc/38/26/15/203382615.db2.gz DINJFUPNAAJJNT-DGCLKSJQSA-N 2 1 210.365 2.249 20 0 BEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CC(C)(C)C2)C1 ZINC000459780977 203367287 /nfs/dbraw/zinc/36/72/87/203367287.db2.gz MEKJZBZXWOZNPF-LBPRGKRZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C1CCCC1 ZINC000166319356 203387272 /nfs/dbraw/zinc/38/72/72/203387272.db2.gz WZTGERVXOBRHLU-RISCZKNCSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C1CC1 ZINC000166324195 203387357 /nfs/dbraw/zinc/38/73/57/203387357.db2.gz CFKMIRVWOIUUAP-STQMWFEESA-N 2 1 210.365 2.105 20 0 BEADMP C[C@H](c1cccc(F)c1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453432 370045387 /nfs/dbraw/zinc/04/53/87/370045387.db2.gz JZLMABQRXXQCLW-WXHSDQCUSA-N 2 1 234.318 2.038 20 0 BEADMP COc1cccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000253192942 370161019 /nfs/dbraw/zinc/16/10/19/370161019.db2.gz NXWQVNKJBIOQMK-GXTWGEPZSA-N 2 1 248.370 2.112 20 0 BEADMP Cc1ccc(C[NH2+]C2CC(N(C)C)C2)s1 ZINC000568239385 326332689 /nfs/dbraw/zinc/33/26/89/326332689.db2.gz KYGXYDUFSQUVKZ-UHFFFAOYSA-N 2 1 224.373 2.239 20 0 BEADMP CC1CC(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000621770703 370513931 /nfs/dbraw/zinc/51/39/31/370513931.db2.gz WFDRFPFFVSSKDE-PCGVCOGMSA-N 2 1 236.403 2.495 20 0 BEADMP Cc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])ccn1 ZINC000621775663 370523091 /nfs/dbraw/zinc/52/30/91/370523091.db2.gz WCDDWMFKCVEZEV-AWEZNQCLSA-N 2 1 233.359 2.093 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000621777316 370525478 /nfs/dbraw/zinc/52/54/78/370525478.db2.gz APSCFRXEFLKXFW-GJZGRUSLSA-N 2 1 230.355 2.308 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000621777316 370525481 /nfs/dbraw/zinc/52/54/81/370525481.db2.gz APSCFRXEFLKXFW-GJZGRUSLSA-N 2 1 230.355 2.308 20 0 BEADMP Cc1cccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000621777722 370526772 /nfs/dbraw/zinc/52/67/72/370526772.db2.gz FRNNKCHATUYILM-CABCVRRESA-N 2 1 230.355 2.308 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000621777722 370526775 /nfs/dbraw/zinc/52/67/75/370526775.db2.gz FRNNKCHATUYILM-CABCVRRESA-N 2 1 230.355 2.308 20 0 BEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCc1ccccc1)C2 ZINC000621779041 370529231 /nfs/dbraw/zinc/52/92/31/370529231.db2.gz YXGQNIDZNHJHRW-CABCVRRESA-N 2 1 230.355 2.042 20 0 BEADMP C1=CCC(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)C1 ZINC000631890504 371046900 /nfs/dbraw/zinc/04/69/00/371046900.db2.gz QBFAZOGMNLVBMH-KBPBESRZSA-N 2 1 220.360 2.027 20 0 BEADMP C1=CCC(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)C1 ZINC000631890504 371046902 /nfs/dbraw/zinc/04/69/02/371046902.db2.gz QBFAZOGMNLVBMH-KBPBESRZSA-N 2 1 220.360 2.027 20 0 BEADMP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@H]2F)[C@@H](C)C1 ZINC000378761546 371019435 /nfs/dbraw/zinc/01/94/35/371019435.db2.gz KBFBNRPZMZVMDU-LOWDOPEQSA-N 2 1 228.355 2.197 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@H]2F)[C@@H](C)C1 ZINC000378761546 371019438 /nfs/dbraw/zinc/01/94/38/371019438.db2.gz KBFBNRPZMZVMDU-LOWDOPEQSA-N 2 1 228.355 2.197 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000623858807 371129797 /nfs/dbraw/zinc/12/97/97/371129797.db2.gz WOMFMHBBQFCXKY-KBPBESRZSA-N 2 1 242.407 2.264 20 0 BEADMP CCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120034 371319413 /nfs/dbraw/zinc/31/94/13/371319413.db2.gz QEFGPVZCTRNONB-OLZOCXBDSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CCC1 ZINC000624121369 371322898 /nfs/dbraw/zinc/32/28/98/371322898.db2.gz UTCUETFJAMOVIR-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccncc1 ZINC000624122645 371323147 /nfs/dbraw/zinc/32/31/47/371323147.db2.gz XNAKRCPUCLYEIP-KGLIPLIRSA-N 2 1 247.386 2.464 20 0 BEADMP Cc1cc(C[NH2+]CCCCn2cc[nH+]c2C)on1 ZINC000631079041 371455609 /nfs/dbraw/zinc/45/56/09/371455609.db2.gz CLNMPYQLGFDOHL-UHFFFAOYSA-N 2 1 248.330 2.058 20 0 BEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000631827871 372607910 /nfs/dbraw/zinc/60/79/10/372607910.db2.gz YHWRFBCNFZOLEX-ZJUUUORDSA-N 2 1 234.334 2.385 20 0 BEADMP CC(C)CCOCC[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631833533 372618438 /nfs/dbraw/zinc/61/84/38/372618438.db2.gz CKFAVRSGJNYOPP-AWEZNQCLSA-N 2 1 242.407 2.252 20 0 BEADMP CC(C)CCOCC[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631833533 372618445 /nfs/dbraw/zinc/61/84/45/372618445.db2.gz CKFAVRSGJNYOPP-AWEZNQCLSA-N 2 1 242.407 2.252 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000631843888 372639901 /nfs/dbraw/zinc/63/99/01/372639901.db2.gz SYWXCOLVSSPUKJ-GXTWGEPZSA-N 2 1 218.344 2.022 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631842736 372640354 /nfs/dbraw/zinc/64/03/54/372640354.db2.gz FBSGSNLGATZWEH-UKRRQHHQSA-N 2 1 232.371 2.330 20 0 BEADMP Cc1ccccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842691 372640567 /nfs/dbraw/zinc/64/05/67/372640567.db2.gz DNOHWCIEPPAUDF-TZMCWYRMSA-N 2 1 218.344 2.022 20 0 BEADMP COc1ccc(C)cc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844387 372643168 /nfs/dbraw/zinc/64/31/68/372643168.db2.gz WZUUEYUNOOBRKB-TZMCWYRMSA-N 2 1 248.370 2.030 20 0 BEADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CC1CCCCCC1 ZINC000631861621 372662263 /nfs/dbraw/zinc/66/22/63/372662263.db2.gz FUXMAQVPWSZSNY-AAEUAGOBSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CC1CCCCCC1 ZINC000631861621 372662269 /nfs/dbraw/zinc/66/22/69/372662269.db2.gz FUXMAQVPWSZSNY-AAEUAGOBSA-N 2 1 210.365 2.378 20 0 BEADMP Fc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631884245 372679948 /nfs/dbraw/zinc/67/99/48/372679948.db2.gz HJWLMMXEFNYJTR-DZGCQCFKSA-N 2 1 248.345 2.400 20 0 BEADMP Fc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631884245 372679952 /nfs/dbraw/zinc/67/99/52/372679952.db2.gz HJWLMMXEFNYJTR-DZGCQCFKSA-N 2 1 248.345 2.400 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631884988 372680287 /nfs/dbraw/zinc/68/02/87/372680287.db2.gz RKRRVSKXYSJTBB-CHWSQXEVSA-N 2 1 210.365 2.106 20 0 BEADMP C(C1CCCC1)[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631885914 372681931 /nfs/dbraw/zinc/68/19/31/372681931.db2.gz CQZKHPHEAVBMGR-KBPBESRZSA-N 2 1 222.376 2.251 20 0 BEADMP C(C1CCCC1)[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631885914 372681934 /nfs/dbraw/zinc/68/19/34/372681934.db2.gz CQZKHPHEAVBMGR-KBPBESRZSA-N 2 1 222.376 2.251 20 0 BEADMP Fc1cccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631886893 372683051 /nfs/dbraw/zinc/68/30/51/372683051.db2.gz MWYLHLLQUTUYFV-UKRRQHHQSA-N 2 1 248.345 2.400 20 0 BEADMP Fc1cccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631886893 372683053 /nfs/dbraw/zinc/68/30/53/372683053.db2.gz MWYLHLLQUTUYFV-UKRRQHHQSA-N 2 1 248.345 2.400 20 0 BEADMP CC(C)=CCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890286 372687086 /nfs/dbraw/zinc/68/70/86/372687086.db2.gz OIXJFNMBBZNVGT-UONOGXRCSA-N 2 1 222.376 2.417 20 0 BEADMP CC(C)=CCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890286 372687092 /nfs/dbraw/zinc/68/70/92/372687092.db2.gz OIXJFNMBBZNVGT-UONOGXRCSA-N 2 1 222.376 2.417 20 0 BEADMP CC(C)(C)[N@H+](CCN)Cc1ccccc1 ZINC000039318910 372939673 /nfs/dbraw/zinc/93/96/73/372939673.db2.gz QLLOSKPKUMWQLP-UHFFFAOYSA-N 2 1 206.333 2.246 20 0 BEADMP CC(C)(C)[N@@H+](CCN)Cc1ccccc1 ZINC000039318910 372939682 /nfs/dbraw/zinc/93/96/82/372939682.db2.gz QLLOSKPKUMWQLP-UHFFFAOYSA-N 2 1 206.333 2.246 20 0 BEADMP CC(C)(C)[N@H+](CC[NH3+])Cc1ccccc1 ZINC000039318910 372939685 /nfs/dbraw/zinc/93/96/85/372939685.db2.gz QLLOSKPKUMWQLP-UHFFFAOYSA-N 2 1 206.333 2.246 20 0 BEADMP CC(C)(C)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000039318910 372939690 /nfs/dbraw/zinc/93/96/90/372939690.db2.gz QLLOSKPKUMWQLP-UHFFFAOYSA-N 2 1 206.333 2.246 20 0 BEADMP CC(C)=CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000178771450 205642643 /nfs/dbraw/zinc/64/26/43/205642643.db2.gz UTXXBMNNHIYQCY-UHFFFAOYSA-N 2 1 208.349 2.169 20 0 BEADMP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000414863589 205775820 /nfs/dbraw/zinc/77/58/20/205775820.db2.gz AWZGLOGTAUOUEN-CABCVRRESA-N 2 1 232.371 2.268 20 0 BEADMP COCC(C)(C)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000426417779 206049255 /nfs/dbraw/zinc/04/92/55/206049255.db2.gz CKGOFYJFTNIJGW-STQMWFEESA-N 2 1 242.407 2.074 20 0 BEADMP COCC(C)(C)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000426417779 206049256 /nfs/dbraw/zinc/04/92/56/206049256.db2.gz CKGOFYJFTNIJGW-STQMWFEESA-N 2 1 242.407 2.074 20 0 BEADMP COCC(C)(C)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000426417779 206049258 /nfs/dbraw/zinc/04/92/58/206049258.db2.gz CKGOFYJFTNIJGW-STQMWFEESA-N 2 1 242.407 2.074 20 0 BEADMP COCC(C)(C)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000426417779 206049261 /nfs/dbraw/zinc/04/92/61/206049261.db2.gz CKGOFYJFTNIJGW-STQMWFEESA-N 2 1 242.407 2.074 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CCC2)[C@H](C)C1 ZINC000166956175 206140800 /nfs/dbraw/zinc/14/08/00/206140800.db2.gz DLVDLELQCTZUIC-DGCLKSJQSA-N 2 1 210.365 2.106 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+]CC(C)C ZINC000336648474 169126655 /nfs/dbraw/zinc/12/66/55/169126655.db2.gz GOSUEWCKKFWDIO-LBPRGKRZSA-N 2 1 200.370 2.352 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]CC(C)C ZINC000336648474 169126658 /nfs/dbraw/zinc/12/66/58/169126658.db2.gz GOSUEWCKKFWDIO-LBPRGKRZSA-N 2 1 200.370 2.352 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000308812698 169122849 /nfs/dbraw/zinc/12/28/49/169122849.db2.gz AAKUPAPTMLOFPY-YNEHKIRRSA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000308812698 169122853 /nfs/dbraw/zinc/12/28/53/169122853.db2.gz AAKUPAPTMLOFPY-YNEHKIRRSA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000308812691 169123079 /nfs/dbraw/zinc/12/30/79/169123079.db2.gz AAKUPAPTMLOFPY-FRRDWIJNSA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000308812691 169123080 /nfs/dbraw/zinc/12/30/80/169123080.db2.gz AAKUPAPTMLOFPY-FRRDWIJNSA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@H+](CC)CC[NH2+]CCC(C)C ZINC000053376599 169124129 /nfs/dbraw/zinc/12/41/29/169124129.db2.gz WRMPJPYAJZCMMI-UHFFFAOYSA-N 2 1 200.370 2.354 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+]CCC(C)C ZINC000053376599 169124132 /nfs/dbraw/zinc/12/41/32/169124132.db2.gz WRMPJPYAJZCMMI-UHFFFAOYSA-N 2 1 200.370 2.354 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000310037936 169127400 /nfs/dbraw/zinc/12/74/00/169127400.db2.gz VPGVVZGJZLWJEZ-STQMWFEESA-N 2 1 244.448 2.450 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000310037936 169127401 /nfs/dbraw/zinc/12/74/01/169127401.db2.gz VPGVVZGJZLWJEZ-STQMWFEESA-N 2 1 244.448 2.450 20 0 BEADMP CCC[N@@H+](CC1CC1)CC1CC[NH2+]CC1 ZINC000042491161 169138114 /nfs/dbraw/zinc/13/81/14/169138114.db2.gz MNAFJTGWRTYPOG-UHFFFAOYSA-N 2 1 210.365 2.108 20 0 BEADMP CCC[N@H+](CCC[NH+](C)C)Cc1cccn1C ZINC000290323549 169156209 /nfs/dbraw/zinc/15/62/09/169156209.db2.gz DENBJXGTLJHQOF-UHFFFAOYSA-N 2 1 237.391 2.189 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccn1C ZINC000290323549 169156210 /nfs/dbraw/zinc/15/62/10/169156210.db2.gz DENBJXGTLJHQOF-UHFFFAOYSA-N 2 1 237.391 2.189 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccn(C)c1 ZINC000290519725 169156321 /nfs/dbraw/zinc/15/63/21/169156321.db2.gz PZSHDAOZDKGYCB-UHFFFAOYSA-N 2 1 237.391 2.189 20 0 BEADMP Oc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252673274 183291226 /nfs/dbraw/zinc/29/12/26/183291226.db2.gz IDYZSKAPXKDQTI-KGLIPLIRSA-N 2 1 246.354 2.109 20 0 BEADMP Oc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252673274 183291229 /nfs/dbraw/zinc/29/12/29/183291229.db2.gz IDYZSKAPXKDQTI-KGLIPLIRSA-N 2 1 246.354 2.109 20 0 BEADMP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2F)CC1 ZINC000340525041 169190209 /nfs/dbraw/zinc/19/02/09/169190209.db2.gz DMRJIJGSLQXOBW-QWHCGFSZSA-N 2 1 228.355 2.341 20 0 BEADMP c1c[nH]c([C@@H]2CCC[N@@H+]2CCn2ccnc2)c1 ZINC000162799854 183327756 /nfs/dbraw/zinc/32/77/56/183327756.db2.gz SFBAEIQPRLBJOI-ZDUSSCGKSA-N 2 1 230.315 2.048 20 0 BEADMP CCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157450992 169195720 /nfs/dbraw/zinc/19/57/20/169195720.db2.gz BUYPMIVJFCUHGT-CYBMUJFWSA-N 2 1 210.365 2.347 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1C[C@@H]1C ZINC000336756598 169197324 /nfs/dbraw/zinc/19/73/24/169197324.db2.gz ITFUJPQKVHRFIK-RWMBFGLXSA-N 2 1 210.365 2.106 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1C[C@@H]1C ZINC000336756598 169197325 /nfs/dbraw/zinc/19/73/25/169197325.db2.gz ITFUJPQKVHRFIK-RWMBFGLXSA-N 2 1 210.365 2.106 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H]1C[C@H]1C ZINC000336756597 169197435 /nfs/dbraw/zinc/19/74/35/169197435.db2.gz ITFUJPQKVHRFIK-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H]1C[C@H]1C ZINC000336756597 169197436 /nfs/dbraw/zinc/19/74/36/169197436.db2.gz ITFUJPQKVHRFIK-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H]1CCSC1 ZINC000309899562 169199638 /nfs/dbraw/zinc/19/96/38/169199638.db2.gz HBYYCUYHVZFPLB-OLZOCXBDSA-N 2 1 242.432 2.204 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H]1CCSC1 ZINC000309899562 169199639 /nfs/dbraw/zinc/19/96/39/169199639.db2.gz HBYYCUYHVZFPLB-OLZOCXBDSA-N 2 1 242.432 2.204 20 0 BEADMP c1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccn1 ZINC000334868521 183342213 /nfs/dbraw/zinc/34/22/13/183342213.db2.gz LKQYYGFUGQJFSM-CABCVRRESA-N 2 1 245.370 2.046 20 0 BEADMP c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000309508314 183346364 /nfs/dbraw/zinc/34/63/64/183346364.db2.gz OCGLYWGFQWLFAU-BETUJISGSA-N 2 1 236.384 2.180 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+]CC2(SC)CC2)C1 ZINC000336775834 169206372 /nfs/dbraw/zinc/20/63/72/169206372.db2.gz CURNRDASJNVYAR-GFCCVEGCSA-N 2 1 242.432 2.204 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+]CCSCC)C1 ZINC000336765289 169207268 /nfs/dbraw/zinc/20/72/68/169207268.db2.gz QSFMMYVUDCVAFL-GFCCVEGCSA-N 2 1 230.421 2.061 20 0 BEADMP c1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c[nH]1 ZINC000373486560 183348045 /nfs/dbraw/zinc/34/80/45/183348045.db2.gz SHABWTRKBIEZIK-UHFFFAOYSA-N 2 1 233.359 2.121 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC2(C)C)C1 ZINC000309946595 169208219 /nfs/dbraw/zinc/20/82/19/169208219.db2.gz DOXOSQANLWWOOE-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP c1ccc(CC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000067674191 183393943 /nfs/dbraw/zinc/39/39/43/183393943.db2.gz CURGXZNSJBBSAH-MRXNPFEDSA-N 2 1 244.382 2.305 20 0 BEADMP CC[C@H](C)[C@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001644099395 1172526481 /nfs/dbraw/zinc/52/64/81/1172526481.db2.gz PICIYNDEBMLFQJ-FQUUOJAGSA-N 2 1 224.392 2.305 20 0 BEADMP CC[C@H](C)[C@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001644099395 1172526490 /nfs/dbraw/zinc/52/64/90/1172526490.db2.gz PICIYNDEBMLFQJ-FQUUOJAGSA-N 2 1 224.392 2.305 20 0 BEADMP CC[C@H](C)[C@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001644099395 1172526495 /nfs/dbraw/zinc/52/64/95/1172526495.db2.gz PICIYNDEBMLFQJ-FQUUOJAGSA-N 2 1 224.392 2.305 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C1CCCC1 ZINC000179239170 134318768 /nfs/dbraw/zinc/31/87/68/134318768.db2.gz DJIMZZNTVOJODL-UHFFFAOYSA-N 2 1 221.348 2.456 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)C1CCCC1 ZINC000179239170 134318769 /nfs/dbraw/zinc/31/87/69/134318769.db2.gz DJIMZZNTVOJODL-UHFFFAOYSA-N 2 1 221.348 2.456 20 0 BEADMP C[C@H](CC[N@@H+]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000224188500 134342404 /nfs/dbraw/zinc/34/24/04/134342404.db2.gz MBRVMRWXSCNZFB-TZMCWYRMSA-N 2 1 218.344 2.213 20 0 BEADMP C[C@H](CC[N@H+]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000224188500 134342405 /nfs/dbraw/zinc/34/24/05/134342405.db2.gz MBRVMRWXSCNZFB-TZMCWYRMSA-N 2 1 218.344 2.213 20 0 BEADMP CC[N@H+](CC[NH2+][C@@H](C)C1CCC1)C(C)C ZINC000309051141 169844994 /nfs/dbraw/zinc/84/49/94/169844994.db2.gz REHOWWOOQJZRPX-LBPRGKRZSA-N 2 1 212.381 2.495 20 0 BEADMP CC[N@@H+](CC[NH2+][C@@H](C)C1CCC1)C(C)C ZINC000309051141 169844995 /nfs/dbraw/zinc/84/49/95/169844995.db2.gz REHOWWOOQJZRPX-LBPRGKRZSA-N 2 1 212.381 2.495 20 0 BEADMP C[N@@H+](C[C@@H]1CCC(F)(F)C1)CC(C)(C)C[NH3+] ZINC000301012924 383842291 /nfs/dbraw/zinc/84/22/91/383842291.db2.gz YAXAEYLMMJUENO-SNVBAGLBSA-N 2 1 234.334 2.339 20 0 BEADMP C[N@@H+](C[C@H]1CCC(F)(F)C1)CC(C)(C)C[NH3+] ZINC000301012922 383842707 /nfs/dbraw/zinc/84/27/07/383842707.db2.gz YAXAEYLMMJUENO-JTQLQIEISA-N 2 1 234.334 2.339 20 0 BEADMP NC[C@@H]1CCCC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000301020436 383848653 /nfs/dbraw/zinc/84/86/53/383848653.db2.gz ZSWOBXWADCFZCG-QWRGUYRKSA-N 2 1 232.318 2.235 20 0 BEADMP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000301020436 383848659 /nfs/dbraw/zinc/84/86/59/383848659.db2.gz ZSWOBXWADCFZCG-QWRGUYRKSA-N 2 1 232.318 2.235 20 0 BEADMP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000301020436 383848666 /nfs/dbraw/zinc/84/86/66/383848666.db2.gz ZSWOBXWADCFZCG-QWRGUYRKSA-N 2 1 232.318 2.235 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC(C)(C)C2)C1 ZINC000309538849 383885910 /nfs/dbraw/zinc/88/59/10/383885910.db2.gz GAYVMJVQIPZADZ-GFCCVEGCSA-N 2 1 224.392 2.495 20 0 BEADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000088243168 383889206 /nfs/dbraw/zinc/88/92/06/383889206.db2.gz HTZZTINVKYPBKB-OAHLLOKOSA-N 2 1 232.371 2.303 20 0 BEADMP C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccn1 ZINC000037649375 383992175 /nfs/dbraw/zinc/99/21/75/383992175.db2.gz MQNPEPXKKNPJHC-CHWSQXEVSA-N 2 1 245.370 2.217 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccccn1 ZINC000037649375 383992180 /nfs/dbraw/zinc/99/21/80/383992180.db2.gz MQNPEPXKKNPJHC-CHWSQXEVSA-N 2 1 245.370 2.217 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccn1 ZINC000037649375 383992186 /nfs/dbraw/zinc/99/21/86/383992186.db2.gz MQNPEPXKKNPJHC-CHWSQXEVSA-N 2 1 245.370 2.217 20 0 BEADMP CC(C)([NH3+])C[NH2+]Cc1ccc(Cl)s1 ZINC000070600376 383938693 /nfs/dbraw/zinc/93/86/93/383938693.db2.gz OKZRGTKFNOHALE-UHFFFAOYSA-N 2 1 218.753 2.228 20 0 BEADMP CCCC[NH+]1CCC([NH2+]Cc2cccnc2)CC1 ZINC000037150056 383949512 /nfs/dbraw/zinc/94/95/12/383949512.db2.gz BGCKZVBFYNRCNC-UHFFFAOYSA-N 2 1 247.386 2.436 20 0 BEADMP CSCC[C@H](C)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000300056444 383974762 /nfs/dbraw/zinc/97/47/62/383974762.db2.gz QAVJSYGRDGBXOB-AGIUHOORSA-N 2 1 244.448 2.448 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000069627030 384051150 /nfs/dbraw/zinc/05/11/50/384051150.db2.gz ACIPRISQWRHXBB-CMPLNLGQSA-N 2 1 224.373 2.307 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@H]2CCN(C)[C@H](C)C2)cn1 ZINC000334672252 384138183 /nfs/dbraw/zinc/13/81/83/384138183.db2.gz SUUYRHANNGLFBE-HIFRSBDPSA-N 2 1 247.386 2.271 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000334672252 384138188 /nfs/dbraw/zinc/13/81/88/384138188.db2.gz SUUYRHANNGLFBE-HIFRSBDPSA-N 2 1 247.386 2.271 20 0 BEADMP C[C@H](C[N@@H+](C)CCC[NH3+])c1ccccc1 ZINC000227742050 134392535 /nfs/dbraw/zinc/39/25/35/134392535.db2.gz LBMIKNACGRZQEA-GFCCVEGCSA-N 2 1 206.333 2.071 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000334672252 384138190 /nfs/dbraw/zinc/13/81/90/384138190.db2.gz SUUYRHANNGLFBE-HIFRSBDPSA-N 2 1 247.386 2.271 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CCCC1 ZINC000132677830 384201067 /nfs/dbraw/zinc/20/10/67/384201067.db2.gz KRLJCZIYNXKGSH-YPMHNXCESA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)CC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000082533455 384233781 /nfs/dbraw/zinc/23/37/81/384233781.db2.gz VVZLSZOTCGEOKF-UHFFFAOYSA-N 2 1 210.365 2.108 20 0 BEADMP CCCCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000082533456 384233977 /nfs/dbraw/zinc/23/39/77/384233977.db2.gz WKLHFAIEEKAGTB-UHFFFAOYSA-N 2 1 210.365 2.252 20 0 BEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(C)c2)[C@@H](C)C1 ZINC000449402888 384224494 /nfs/dbraw/zinc/22/44/94/384224494.db2.gz NQMREMRKCPZOHM-SWLSCSKDSA-N 2 1 247.386 2.210 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(C)c2)[C@@H](C)C1 ZINC000449402888 384224504 /nfs/dbraw/zinc/22/45/04/384224504.db2.gz NQMREMRKCPZOHM-SWLSCSKDSA-N 2 1 247.386 2.210 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CC(F)F ZINC000647318596 384246813 /nfs/dbraw/zinc/24/68/13/384246813.db2.gz UKDHTQSXOGFTNU-HBNTYKKESA-N 2 1 234.334 2.350 20 0 BEADMP CC[C@@H]1C[N@@H+](CC2(OC)CCCC2)CC[C@@H]1[NH3+] ZINC000319456330 384250311 /nfs/dbraw/zinc/25/03/11/384250311.db2.gz OCXSXEAPRMUKQX-OLZOCXBDSA-N 2 1 240.391 2.005 20 0 BEADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccn(C)c2)C1 ZINC000093693164 384261161 /nfs/dbraw/zinc/26/11/61/384261161.db2.gz RIQSAGWPTCFPNE-OAHLLOKOSA-N 2 1 249.402 2.189 20 0 BEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccn(C)c2)C1 ZINC000093693164 384261167 /nfs/dbraw/zinc/26/11/67/384261167.db2.gz RIQSAGWPTCFPNE-OAHLLOKOSA-N 2 1 249.402 2.189 20 0 BEADMP CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000082847468 384271693 /nfs/dbraw/zinc/27/16/93/384271693.db2.gz SQEJTPZAELNHKX-JHJVBQTASA-N 2 1 210.365 2.297 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)C(C)(C)C ZINC000133314035 384241518 /nfs/dbraw/zinc/24/15/18/384241518.db2.gz NZVLCRZTCKFIEI-SNVBAGLBSA-N 2 1 209.337 2.216 20 0 BEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(O)c1 ZINC000282446633 384281446 /nfs/dbraw/zinc/28/14/46/384281446.db2.gz UWJSBOCAJWIPBM-LLVKDONJSA-N 2 1 245.326 2.019 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCSC)C1 ZINC000173909043 384284008 /nfs/dbraw/zinc/28/40/08/384284008.db2.gz HKURKJNKVIKJBU-GFCCVEGCSA-N 2 1 230.421 2.013 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCSC)C1 ZINC000173909043 384284013 /nfs/dbraw/zinc/28/40/13/384284013.db2.gz HKURKJNKVIKJBU-GFCCVEGCSA-N 2 1 230.421 2.013 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCSC)C1 ZINC000173909043 384284021 /nfs/dbraw/zinc/28/40/21/384284021.db2.gz HKURKJNKVIKJBU-GFCCVEGCSA-N 2 1 230.421 2.013 20 0 BEADMP CCSCC[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173919724 384288727 /nfs/dbraw/zinc/28/87/27/384288727.db2.gz PUTASHABFMLWHN-GFCCVEGCSA-N 2 1 230.421 2.013 20 0 BEADMP CCSCC[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000173919724 384288731 /nfs/dbraw/zinc/28/87/31/384288731.db2.gz PUTASHABFMLWHN-GFCCVEGCSA-N 2 1 230.421 2.013 20 0 BEADMP C[C@@H](CNc1[nH]c2ccccc2[nH+]1)C[NH+](C)C ZINC000291662426 384300589 /nfs/dbraw/zinc/30/05/89/384300589.db2.gz CWLLFTBTMNYVCK-JTQLQIEISA-N 2 1 232.331 2.173 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC2(C)C)CC[N@H+]1C ZINC000300360419 384360769 /nfs/dbraw/zinc/36/07/69/384360769.db2.gz YHHRVYUEZBNPDP-IJLUTSLNSA-N 2 1 210.365 2.105 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCSC)[C@H](C)C1 ZINC000174780943 384363608 /nfs/dbraw/zinc/36/36/08/384363608.db2.gz JOGBDUCKUMMYFF-OLZOCXBDSA-N 2 1 244.448 2.402 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCSC)[C@H](C)C1 ZINC000174780943 384363610 /nfs/dbraw/zinc/36/36/10/384363610.db2.gz JOGBDUCKUMMYFF-OLZOCXBDSA-N 2 1 244.448 2.402 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCSC)[C@H](C)C1 ZINC000174780943 384363613 /nfs/dbraw/zinc/36/36/13/384363613.db2.gz JOGBDUCKUMMYFF-OLZOCXBDSA-N 2 1 244.448 2.402 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC(C)C)[C@H](C)C1 ZINC000174778236 384363638 /nfs/dbraw/zinc/36/36/38/384363638.db2.gz LMYVGJUYUHMYBT-CHWSQXEVSA-N 2 1 212.381 2.305 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC(C)C)[C@H](C)C1 ZINC000174778236 384363643 /nfs/dbraw/zinc/36/36/43/384363643.db2.gz LMYVGJUYUHMYBT-CHWSQXEVSA-N 2 1 212.381 2.305 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC(C)C)[C@H](C)C1 ZINC000174778236 384363645 /nfs/dbraw/zinc/36/36/45/384363645.db2.gz LMYVGJUYUHMYBT-CHWSQXEVSA-N 2 1 212.381 2.305 20 0 BEADMP [NH3+]C[C@H]([NH2+]Cc1cccs1)C1CCCC1 ZINC000083758572 384326865 /nfs/dbraw/zinc/32/68/65/384326865.db2.gz LFUDZIBVRXNQRO-LBPRGKRZSA-N 2 1 224.373 2.355 20 0 BEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCSC)C1 ZINC000174966597 384380045 /nfs/dbraw/zinc/38/00/45/384380045.db2.gz GIMLPFOPPJYJJU-CYBMUJFWSA-N 2 1 244.448 2.403 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCSC)C1 ZINC000174966597 384380058 /nfs/dbraw/zinc/38/00/58/384380058.db2.gz GIMLPFOPPJYJJU-CYBMUJFWSA-N 2 1 244.448 2.403 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCSC)C1 ZINC000174966597 384380065 /nfs/dbraw/zinc/38/00/65/384380065.db2.gz GIMLPFOPPJYJJU-CYBMUJFWSA-N 2 1 244.448 2.403 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)CC(F)F ZINC000647227019 384437538 /nfs/dbraw/zinc/43/75/38/384437538.db2.gz MHPXLQQJUSHISC-TUAOUCFPSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccs1 ZINC000276631408 384494816 /nfs/dbraw/zinc/49/48/16/384494816.db2.gz JOEOVLQTTCFITI-SNVBAGLBSA-N 2 1 235.356 2.375 20 0 BEADMP CC1(C)CCC[N@@H+](CCn2ccnc2)C1 ZINC000161833730 384532614 /nfs/dbraw/zinc/53/26/14/384532614.db2.gz PVLNMLPZJPULMZ-UHFFFAOYSA-N 2 1 207.321 2.005 20 0 BEADMP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643066248 384580990 /nfs/dbraw/zinc/58/09/90/384580990.db2.gz LYSLUNJTMLCBDK-MJBXVCDLSA-N 2 1 224.392 2.352 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643066248 384580994 /nfs/dbraw/zinc/58/09/94/384580994.db2.gz LYSLUNJTMLCBDK-MJBXVCDLSA-N 2 1 224.392 2.352 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(F)cn1 ZINC000271294736 384583915 /nfs/dbraw/zinc/58/39/15/384583915.db2.gz FJLLYTAUBNAADH-SNVBAGLBSA-N 2 1 248.305 2.076 20 0 BEADMP Cc1cncc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000184261054 384586809 /nfs/dbraw/zinc/58/68/09/384586809.db2.gz GGDUDIGZGGWMLX-GFCCVEGCSA-N 2 1 233.359 2.135 20 0 BEADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCC[NH2+]C ZINC000309852659 384669549 /nfs/dbraw/zinc/66/95/49/384669549.db2.gz YQEKRGJPOBHMKI-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000647534537 384645267 /nfs/dbraw/zinc/64/52/67/384645267.db2.gz QDUWHPUUIDELQL-BARDWOONSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647534856 384645507 /nfs/dbraw/zinc/64/55/07/384645507.db2.gz YAAYCYPJVHIZHV-TUVASFSCSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647534855 384645548 /nfs/dbraw/zinc/64/55/48/384645548.db2.gz YAAYCYPJVHIZHV-LXTVHRRPSA-N 2 1 236.403 2.497 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCSCC2)[C@@H](C)C1 ZINC000246981627 384655335 /nfs/dbraw/zinc/65/53/35/384655335.db2.gz IWSORUZLIYYQOS-WCQYABFASA-N 2 1 242.432 2.202 20 0 BEADMP CSCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309935862 384725710 /nfs/dbraw/zinc/72/57/10/384725710.db2.gz ZTBPYAGZZOTQGY-JHJVBQTASA-N 2 1 242.432 2.202 20 0 BEADMP CSCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000309935867 384725884 /nfs/dbraw/zinc/72/58/84/384725884.db2.gz ZTBPYAGZZOTQGY-XQQFMLRXSA-N 2 1 242.432 2.202 20 0 BEADMP CC[N@@H+](CC1CCC1)CC1CC[NH2+]CC1 ZINC000086703075 384678940 /nfs/dbraw/zinc/67/89/40/384678940.db2.gz CBLKHRJCIXYOAZ-UHFFFAOYSA-N 2 1 210.365 2.108 20 0 BEADMP CC(F)(F)CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000357718318 384683444 /nfs/dbraw/zinc/68/34/44/384683444.db2.gz VUOHEWMHNYBVDU-QWRGUYRKSA-N 2 1 232.318 2.248 20 0 BEADMP Cc1nc(C)c([C@H](C)[NH2+]CCC[NH+](C)C)s1 ZINC000082589210 384692295 /nfs/dbraw/zinc/69/22/95/384692295.db2.gz NYPLGRJHMDVKQO-VIFPVBQESA-N 2 1 241.404 2.362 20 0 BEADMP CC(C)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543252 384713537 /nfs/dbraw/zinc/71/35/37/384713537.db2.gz KAALCUQFAKAUCO-ZIAGYGMSSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000647548965 384744405 /nfs/dbraw/zinc/74/44/05/384744405.db2.gz CBJDRBRDDHYCPT-CFVMTHIKSA-N 2 1 244.382 2.304 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC1(C)C ZINC000397596465 384756629 /nfs/dbraw/zinc/75/66/29/384756629.db2.gz KIGJCEIXIAHZAF-SCRDCRAPSA-N 2 1 236.403 2.495 20 0 BEADMP CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](CCC[NH3+])C1 ZINC000647552762 384762469 /nfs/dbraw/zinc/76/24/69/384762469.db2.gz VNDBGEMJNTYZRJ-STQMWFEESA-N 2 1 224.392 2.483 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000301013746 384829958 /nfs/dbraw/zinc/82/99/58/384829958.db2.gz ZEZNXFMIMGGYOE-XQQFMLRXSA-N 2 1 212.381 2.338 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000309058779 384837860 /nfs/dbraw/zinc/83/78/60/384837860.db2.gz VPCPDWVNWCZAPI-QNWHQSFQSA-N 2 1 212.381 2.351 20 0 BEADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(Cl)nc1 ZINC000126804514 384830864 /nfs/dbraw/zinc/83/08/64/384830864.db2.gz RARCZKCYJXBTKB-JTQLQIEISA-N 2 1 241.766 2.337 20 0 BEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423353694 384833567 /nfs/dbraw/zinc/83/35/67/384833567.db2.gz CAWHAUPRNUGLMN-MROQNXINSA-N 2 1 210.365 2.009 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000107786848 384784095 /nfs/dbraw/zinc/78/40/95/384784095.db2.gz AJGCVWLEVXLQSQ-PWSUYJOCSA-N 2 1 222.332 2.083 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000309749227 384789772 /nfs/dbraw/zinc/78/97/72/384789772.db2.gz GIPCXYYVVOOYIX-AGIUHOORSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000309749227 384789779 /nfs/dbraw/zinc/78/97/79/384789779.db2.gz GIPCXYYVVOOYIX-AGIUHOORSA-N 2 1 222.376 2.249 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)s1 ZINC000126718025 384795519 /nfs/dbraw/zinc/79/55/19/384795519.db2.gz PQXMVIBZBVQHSA-ONGXEEELSA-N 2 1 224.373 2.226 20 0 BEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCSC)C1 ZINC000177035839 384848699 /nfs/dbraw/zinc/84/86/99/384848699.db2.gz YRGZUAKOJLENHZ-LBPRGKRZSA-N 2 1 230.421 2.013 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCSC)C1 ZINC000177035839 384848704 /nfs/dbraw/zinc/84/87/04/384848704.db2.gz YRGZUAKOJLENHZ-LBPRGKRZSA-N 2 1 230.421 2.013 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCSC)C1 ZINC000177035839 384848710 /nfs/dbraw/zinc/84/87/10/384848710.db2.gz YRGZUAKOJLENHZ-LBPRGKRZSA-N 2 1 230.421 2.013 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000104424507 384851444 /nfs/dbraw/zinc/85/14/44/384851444.db2.gz RFFOXKXUQRKNFZ-ZFWWWQNUSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@H](C[NH3+])C[NH2+]Cc1cc(Cl)ccc1F ZINC000258865984 384949141 /nfs/dbraw/zinc/94/91/41/384949141.db2.gz ZGOFRJNPDSAKPL-MRVPVSSYSA-N 2 1 230.714 2.164 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC2(C)C)C1 ZINC000086857124 384894000 /nfs/dbraw/zinc/89/40/00/384894000.db2.gz DTPQYFLXSWBZLC-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC2(C)C)C1 ZINC000086857123 384896121 /nfs/dbraw/zinc/89/61/21/384896121.db2.gz DTPQYFLXSWBZLC-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(F)cc1 ZINC000049709449 384900073 /nfs/dbraw/zinc/90/00/73/384900073.db2.gz RVFKYRHUJKJHFY-ZWNOBZJWSA-N 2 1 222.307 2.137 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(F)cc1 ZINC000049709449 384900080 /nfs/dbraw/zinc/90/00/80/384900080.db2.gz RVFKYRHUJKJHFY-ZWNOBZJWSA-N 2 1 222.307 2.137 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000111763717 384902578 /nfs/dbraw/zinc/90/25/78/384902578.db2.gz HUMWVAHQAOEDDW-AAEUAGOBSA-N 2 1 236.334 2.385 20 0 BEADMP C[C@@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000156682807 384925951 /nfs/dbraw/zinc/92/59/51/384925951.db2.gz WJJRVLVDCCSGMU-XUXIUFHCSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156682807 384925959 /nfs/dbraw/zinc/92/59/59/384925959.db2.gz WJJRVLVDCCSGMU-XUXIUFHCSA-N 2 1 240.391 2.016 20 0 BEADMP CC(C)[C@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000257770883 384929559 /nfs/dbraw/zinc/92/95/59/384929559.db2.gz IFTVDTFCCSQSJX-UONOGXRCSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000259029719 384959905 /nfs/dbraw/zinc/95/99/05/384959905.db2.gz OSZLJSSGDKITPX-OAHLLOKOSA-N 2 1 232.371 2.188 20 0 BEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2(C)CC2)C1 ZINC000555595033 384942001 /nfs/dbraw/zinc/94/20/01/384942001.db2.gz AVXSIJCSDNLQQI-ZDUSSCGKSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2(C)CC2)C1 ZINC000555595033 384942005 /nfs/dbraw/zinc/94/20/05/384942005.db2.gz AVXSIJCSDNLQQI-ZDUSSCGKSA-N 2 1 224.392 2.450 20 0 BEADMP CSc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000258900907 384944549 /nfs/dbraw/zinc/94/45/49/384944549.db2.gz HRLDCKJGXCJPTA-CHWSQXEVSA-N 2 1 236.384 2.378 20 0 BEADMP CSc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000258900910 384945336 /nfs/dbraw/zinc/94/53/36/384945336.db2.gz HRLDCKJGXCJPTA-OLZOCXBDSA-N 2 1 236.384 2.378 20 0 BEADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])O1 ZINC000404274810 384965080 /nfs/dbraw/zinc/96/50/80/384965080.db2.gz AHFGYRZBYAPEPR-REWJHTLYSA-N 2 1 240.391 2.003 20 0 BEADMP Cc1cncc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000404315865 384971047 /nfs/dbraw/zinc/97/10/47/384971047.db2.gz ZZDRSZXLILVDGA-HIFRSBDPSA-N 2 1 247.386 2.339 20 0 BEADMP Cc1cc(N2CCC[C@H](C)[C@@H]2CC[NH3+])nc(C)[nH+]1 ZINC000404369362 384973654 /nfs/dbraw/zinc/97/36/54/384973654.db2.gz QLASJMUVCGUXNC-GWCFXTLKSA-N 2 1 248.374 2.047 20 0 BEADMP Cc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)o1 ZINC000057994252 384975736 /nfs/dbraw/zinc/97/57/36/384975736.db2.gz ZCOAPERBHRWUJL-GFCCVEGCSA-N 2 1 236.359 2.410 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H](C)C1CCOCC1 ZINC000156827999 384979750 /nfs/dbraw/zinc/97/97/50/384979750.db2.gz YKNIITCUVAZHRN-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)C1CCOCC1 ZINC000156827999 384979756 /nfs/dbraw/zinc/97/97/56/384979756.db2.gz YKNIITCUVAZHRN-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000128034695 384982608 /nfs/dbraw/zinc/98/26/08/384982608.db2.gz SNISPNVAIXQXNM-HUUCEWRRSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000128034695 384982611 /nfs/dbraw/zinc/98/26/11/384982611.db2.gz SNISPNVAIXQXNM-HUUCEWRRSA-N 2 1 245.370 2.106 20 0 BEADMP C[C@@H](C1CC1)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000226436279 385022073 /nfs/dbraw/zinc/02/20/73/385022073.db2.gz UXZYBFWGLBDNEC-NWDGAFQWSA-N 2 1 222.376 2.249 20 0 BEADMP C(C[N@H+]1CCC[C@H]2CCC[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000251294652 385055556 /nfs/dbraw/zinc/05/55/56/385055556.db2.gz OAUDKEJYPNAFMB-MCIONIFRSA-N 2 1 222.376 2.251 20 0 BEADMP C[NH+](C)C1(C[NH2+]C2CCCC2)CCCC1 ZINC000105838333 385057727 /nfs/dbraw/zinc/05/77/27/385057727.db2.gz CZCOJIKDVVEVRP-UHFFFAOYSA-N 2 1 210.365 2.393 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000157046355 385059647 /nfs/dbraw/zinc/05/96/47/385059647.db2.gz WUHKULXUJSBJNJ-UHFFFAOYSA-N 2 1 236.334 2.318 20 0 BEADMP Cc1ccc(F)cc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000157046355 385059654 /nfs/dbraw/zinc/05/96/54/385059654.db2.gz WUHKULXUJSBJNJ-UHFFFAOYSA-N 2 1 236.334 2.318 20 0 BEADMP C[N@H+](Cc1cnc2ccccc2c1)C1CC([NH3+])C1 ZINC000336233415 385061050 /nfs/dbraw/zinc/06/10/50/385061050.db2.gz IBXXOIXLIOFYLA-UHFFFAOYSA-N 2 1 241.338 2.156 20 0 BEADMP C[N@@H+](Cc1cnc2ccccc2c1)C1CC([NH3+])C1 ZINC000336233415 385061061 /nfs/dbraw/zinc/06/10/61/385061061.db2.gz IBXXOIXLIOFYLA-UHFFFAOYSA-N 2 1 241.338 2.156 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(F)ccc2C)C1 ZINC000157073936 385064226 /nfs/dbraw/zinc/06/42/26/385064226.db2.gz ZGFMBBAOHGZPPV-LBPRGKRZSA-N 2 1 236.334 2.175 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C)C1 ZINC000157073936 385064232 /nfs/dbraw/zinc/06/42/32/385064232.db2.gz ZGFMBBAOHGZPPV-LBPRGKRZSA-N 2 1 236.334 2.175 20 0 BEADMP C[C@H](F)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000340471972 385067884 /nfs/dbraw/zinc/06/78/84/385067884.db2.gz XXZDUYROMVARHS-NNYUYHANSA-N 2 1 216.344 2.053 20 0 BEADMP C[N@H+](Cc1cc(F)cc(F)c1)CC(C)(C)C[NH3+] ZINC000157107401 385073981 /nfs/dbraw/zinc/07/39/81/385073981.db2.gz PKIZQLPMNYPXCR-UHFFFAOYSA-N 2 1 242.313 2.382 20 0 BEADMP C[N@@H+](Cc1cc(F)cc(F)c1)CC(C)(C)C[NH3+] ZINC000157107401 385073988 /nfs/dbraw/zinc/07/39/88/385073988.db2.gz PKIZQLPMNYPXCR-UHFFFAOYSA-N 2 1 242.313 2.382 20 0 BEADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccccc1F ZINC000404806681 385078076 /nfs/dbraw/zinc/07/80/76/385078076.db2.gz ZCMRCCVHDHZRGY-RYUDHWBXSA-N 2 1 222.307 2.041 20 0 BEADMP CC[C@H](C)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397324449 385080856 /nfs/dbraw/zinc/08/08/56/385080856.db2.gz OFGFDTAYXTZXAB-RNJOBUHISA-N 2 1 212.381 2.338 20 0 BEADMP Cc1ccc(CN(C)C[C@H]2CCC[N@@H+](C)C2)nc1 ZINC000152279349 385042251 /nfs/dbraw/zinc/04/22/51/385042251.db2.gz GSSBFVRPWKOUMU-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP Cc1ccc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)nc1 ZINC000152279257 385043451 /nfs/dbraw/zinc/04/34/51/385043451.db2.gz GSSBFVRPWKOUMU-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000090773015 385093673 /nfs/dbraw/zinc/09/36/73/385093673.db2.gz FOXCHWRXMNTXEQ-DYEKYZERSA-N 2 1 236.403 2.495 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000308823638 385195489 /nfs/dbraw/zinc/19/54/89/385195489.db2.gz HFEDIZAONRTMOW-OLZOCXBDSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1cc[nH+]c(N[C@H](C)CC[NH+](C)C)c1 ZINC000043561685 385168000 /nfs/dbraw/zinc/16/80/00/385168000.db2.gz JQTLWPJLEDOQSB-LLVKDONJSA-N 2 1 207.321 2.142 20 0 BEADMP C(C[N@H+]1CCC[C@H]2CCC[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000227643807 385176685 /nfs/dbraw/zinc/17/66/85/385176685.db2.gz OAUDKEJYPNAFMB-MJBXVCDLSA-N 2 1 222.376 2.251 20 0 BEADMP CC(C)C[C@@H](C)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000300969360 385215339 /nfs/dbraw/zinc/21/53/39/385215339.db2.gz RYNXHEKIAZEQEF-GFCCVEGCSA-N 2 1 212.381 2.352 20 0 BEADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000252713574 385217883 /nfs/dbraw/zinc/21/78/83/385217883.db2.gz PNXCHEIBBIVVKW-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252716856 385227312 /nfs/dbraw/zinc/22/73/12/385227312.db2.gz ZJMYMCNKXRGTBL-JHJVBQTASA-N 2 1 212.381 2.208 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2C)C1 ZINC000346663854 385257124 /nfs/dbraw/zinc/25/71/24/385257124.db2.gz XDRUCEFOGTUPED-XDQVBPFNSA-N 2 1 224.392 2.482 20 0 BEADMP CSCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000068997599 385240826 /nfs/dbraw/zinc/24/08/26/385240826.db2.gz IFWHOFPJBVBQDS-GRYCIOLGSA-N 2 1 230.421 2.058 20 0 BEADMP CCc1ccc(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000422762165 385251382 /nfs/dbraw/zinc/25/13/82/385251382.db2.gz RXHGFKPVLHWMPP-CJNGLKHVSA-N 2 1 246.398 2.379 20 0 BEADMP C[C@H]([NH2+]CC[NH3+])c1ccc2c(c1)CCCC2 ZINC000037712696 385270514 /nfs/dbraw/zinc/27/05/14/385270514.db2.gz UUZIKCGCAXMMHB-NSHDSACASA-N 2 1 218.344 2.175 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCCc1ccccc1 ZINC000309235663 385273239 /nfs/dbraw/zinc/27/32/39/385273239.db2.gz VDEXFTMAQHIALP-JSGCOSHPSA-N 2 1 218.344 2.041 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCCc1ccccc1 ZINC000309235663 385273244 /nfs/dbraw/zinc/27/32/44/385273244.db2.gz VDEXFTMAQHIALP-JSGCOSHPSA-N 2 1 218.344 2.041 20 0 BEADMP C[C@@H](Cc1ccccc1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359460143 385367016 /nfs/dbraw/zinc/36/70/16/385367016.db2.gz VXUNRDFYNRUECY-CWRNSKLLSA-N 2 1 244.382 2.016 20 0 BEADMP CC[NH+](CC)[C@@H](C)C[NH2+]C[C@@H]1CCSC1 ZINC000309035242 385382578 /nfs/dbraw/zinc/38/25/78/385382578.db2.gz HRWGPACJVISMTG-RYUDHWBXSA-N 2 1 230.421 2.059 20 0 BEADMP Cc1cc(C)cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193611380 385403906 /nfs/dbraw/zinc/40/39/06/385403906.db2.gz LZUWYUMRVPFZMN-IYBDPMFKSA-N 2 1 244.382 2.297 20 0 BEADMP Cc1cc(C)cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193611380 385403910 /nfs/dbraw/zinc/40/39/10/385403910.db2.gz LZUWYUMRVPFZMN-IYBDPMFKSA-N 2 1 244.382 2.297 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193611380 385403912 /nfs/dbraw/zinc/40/39/12/385403912.db2.gz LZUWYUMRVPFZMN-IYBDPMFKSA-N 2 1 244.382 2.297 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1ccc2cnccc2c1 ZINC000647496976 385404661 /nfs/dbraw/zinc/40/46/61/385404661.db2.gz ARGXIIFBKHSCDL-UHFFFAOYSA-N 2 1 229.327 2.015 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000309094953 385405381 /nfs/dbraw/zinc/40/53/81/385405381.db2.gz GFJVJBADYYYHHX-AGIUHOORSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000309094953 385405386 /nfs/dbraw/zinc/40/53/86/385405386.db2.gz GFJVJBADYYYHHX-AGIUHOORSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+]C1CC(C)(C)C1 ZINC000309075615 385405770 /nfs/dbraw/zinc/40/57/70/385405770.db2.gz JZKGNMAJAAKECR-UHFFFAOYSA-N 2 1 212.381 2.495 20 0 BEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000155845743 385416959 /nfs/dbraw/zinc/41/69/59/385416959.db2.gz YYUPDPZZLUYRJG-ZIAGYGMSSA-N 2 1 222.376 2.393 20 0 BEADMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)s1 ZINC000194543208 385438989 /nfs/dbraw/zinc/43/89/89/385438989.db2.gz CLMFNNJMVJHIAI-TXEJJXNPSA-N 2 1 236.384 2.050 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)s1 ZINC000194543208 385438990 /nfs/dbraw/zinc/43/89/90/385438990.db2.gz CLMFNNJMVJHIAI-TXEJJXNPSA-N 2 1 236.384 2.050 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)C1CCCC1 ZINC000054078156 385451594 /nfs/dbraw/zinc/45/15/94/385451594.db2.gz YWMMIBQTBKDKCG-LLVKDONJSA-N 2 1 210.365 2.249 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C ZINC000309208422 385481486 /nfs/dbraw/zinc/48/14/86/385481486.db2.gz SLBRKXCRXAUKTR-AVGNSLFASA-N 2 1 212.381 2.352 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C ZINC000309208422 385481490 /nfs/dbraw/zinc/48/14/90/385481490.db2.gz SLBRKXCRXAUKTR-AVGNSLFASA-N 2 1 212.381 2.352 20 0 BEADMP CC[C@H]1CC[C@H]1[NH2+]CC[N@H+](CC)C(C)C ZINC000309236960 385494504 /nfs/dbraw/zinc/49/45/04/385494504.db2.gz XRTYYHRYJDOXII-QWHCGFSZSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H]1CC[C@H]1[NH2+]CC[N@@H+](CC)C(C)C ZINC000309236960 385494505 /nfs/dbraw/zinc/49/45/05/385494505.db2.gz XRTYYHRYJDOXII-QWHCGFSZSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H]([NH3+])CNc1cc[nH+]c2ccsc21 ZINC000643036200 385534132 /nfs/dbraw/zinc/53/41/32/385534132.db2.gz SPRKFXCFZWRUHE-ZETCQYMHSA-N 2 1 207.302 2.055 20 0 BEADMP [NH3+][C@H]1CCC[C@H](Nc2cc[nH+]c3ccsc32)C1 ZINC000643030147 385526207 /nfs/dbraw/zinc/52/62/07/385526207.db2.gz CNVCGPMZTWOERR-UWVGGRQHSA-N 2 1 247.367 2.400 20 0 BEADMP CC[C@](C)(C[NH2+]CCC[N@@H+](C)C(C)C)OC ZINC000318936911 385526638 /nfs/dbraw/zinc/52/66/38/385526638.db2.gz BHTZBUZSUUFJRC-CYBMUJFWSA-N 2 1 230.396 2.121 20 0 BEADMP CC1(C)CC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000309371249 385554246 /nfs/dbraw/zinc/55/42/46/385554246.db2.gz BZWVDASKOFNOOB-WCQYABFASA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)[C@@H]1C ZINC000336650083 385603131 /nfs/dbraw/zinc/60/31/31/385603131.db2.gz DLMNUWGYZLETME-BYNQJWBRSA-N 2 1 222.376 2.105 20 0 BEADMP CC(C)[C@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000063074016 385591599 /nfs/dbraw/zinc/59/15/99/385591599.db2.gz UITHOBHIOCPKQR-LBPRGKRZSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)[C@H](C)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000063074016 385591605 /nfs/dbraw/zinc/59/16/05/385591605.db2.gz UITHOBHIOCPKQR-LBPRGKRZSA-N 2 1 212.381 2.495 20 0 BEADMP Cc1cc[nH+]c(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250999114 385614936 /nfs/dbraw/zinc/61/49/36/385614936.db2.gz VYTDINQWXPKYPK-OLZOCXBDSA-N 2 1 231.343 2.429 20 0 BEADMP Cc1cc[nH+]c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000250999114 385614939 /nfs/dbraw/zinc/61/49/39/385614939.db2.gz VYTDINQWXPKYPK-OLZOCXBDSA-N 2 1 231.343 2.429 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000394837494 385615804 /nfs/dbraw/zinc/61/58/04/385615804.db2.gz RXGYFVCGPVGNJD-KBUPBQIOSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000394837494 385615811 /nfs/dbraw/zinc/61/58/11/385615811.db2.gz RXGYFVCGPVGNJD-KBUPBQIOSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1[nH]c2nc[nH+]c(N[C@@H](C)C[C@H](C)[NH3+])c2c1C ZINC000647711443 385612983 /nfs/dbraw/zinc/61/29/83/385612983.db2.gz SFVRAKSUCUEYKL-YUMQZZPRSA-N 2 1 247.346 2.112 20 0 BEADMP Cc1ccncc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000280860428 385613400 /nfs/dbraw/zinc/61/34/00/385613400.db2.gz LYRBRNWKGPHLNH-GJZGRUSLSA-N 2 1 247.386 2.352 20 0 BEADMP c1csc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252673497 385655251 /nfs/dbraw/zinc/65/52/51/385655251.db2.gz JXMYQZUILFWILN-NEPJUHHUSA-N 2 1 236.384 2.465 20 0 BEADMP c1csc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252673497 385655255 /nfs/dbraw/zinc/65/52/55/385655255.db2.gz JXMYQZUILFWILN-NEPJUHHUSA-N 2 1 236.384 2.465 20 0 BEADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C[C@@H]1C[C@H]1C ZINC000309543196 385678523 /nfs/dbraw/zinc/67/85/23/385678523.db2.gz GGFNPRGMBSLKEU-MQYQWHSLSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C[C@@H]1C[C@H]1C ZINC000309543196 385678527 /nfs/dbraw/zinc/67/85/27/385678527.db2.gz GGFNPRGMBSLKEU-MQYQWHSLSA-N 2 1 224.392 2.352 20 0 BEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H]2C[C@H]2C)C1 ZINC000336691810 385729094 /nfs/dbraw/zinc/72/90/94/385729094.db2.gz WYZJPLUFHVWFMT-HZSPNIEDSA-N 2 1 224.392 2.352 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CC ZINC000336654834 385741173 /nfs/dbraw/zinc/74/11/73/385741173.db2.gz NDLSVNCCVRIARC-RYUDHWBXSA-N 2 1 200.370 2.495 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CC ZINC000336654834 385741177 /nfs/dbraw/zinc/74/11/77/385741177.db2.gz NDLSVNCCVRIARC-RYUDHWBXSA-N 2 1 200.370 2.495 20 0 BEADMP C[C@H]([NH2+]Cc1ccccc1F)[C@@H]1CCC[NH2+]C1 ZINC000414860401 385747476 /nfs/dbraw/zinc/74/74/76/385747476.db2.gz VGUTWYRWIGUHMS-NWDGAFQWSA-N 2 1 236.334 2.303 20 0 BEADMP C[C@@H]([NH2+]Cc1ccccc1F)[C@H]1CCC[NH2+]C1 ZINC000414860399 385747544 /nfs/dbraw/zinc/74/75/44/385747544.db2.gz VGUTWYRWIGUHMS-NEPJUHHUSA-N 2 1 236.334 2.303 20 0 BEADMP CC[N@H+](CCn1cc[nH+]c1C)Cc1ccccn1 ZINC000270925802 385760095 /nfs/dbraw/zinc/76/00/95/385760095.db2.gz WBIUEXJLMCMTSP-UHFFFAOYSA-N 2 1 244.342 2.109 20 0 BEADMP CC[N@@H+](CCn1cc[nH+]c1C)Cc1ccccn1 ZINC000270925802 385760100 /nfs/dbraw/zinc/76/01/00/385760100.db2.gz WBIUEXJLMCMTSP-UHFFFAOYSA-N 2 1 244.342 2.109 20 0 BEADMP C[C@H](CCc1ccsc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414864885 385766987 /nfs/dbraw/zinc/76/69/87/385766987.db2.gz KLFAPNLODZXGQK-YPMHNXCESA-N 2 1 238.400 2.411 20 0 BEADMP CC(C)C[C@@H](C)C[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000414943817 385777807 /nfs/dbraw/zinc/77/78/07/385777807.db2.gz MVMAEHHTIVLGQB-WOPDTQHZSA-N 2 1 200.370 2.384 20 0 BEADMP CCC[C@H](C)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000336656406 385780747 /nfs/dbraw/zinc/78/07/47/385780747.db2.gz LFMMKJKHLZKALP-ZDUSSCGKSA-N 2 1 224.392 2.498 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCC2(C)C)CC1 ZINC000309667603 385783924 /nfs/dbraw/zinc/78/39/24/385783924.db2.gz UUUFMVHXPAFKMH-CYBMUJFWSA-N 2 1 222.376 2.417 20 0 BEADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccccn2)C1 ZINC000355902350 385798828 /nfs/dbraw/zinc/79/88/28/385798828.db2.gz DAUVNEYJCPVYDS-KGLIPLIRSA-N 2 1 247.386 2.416 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccccn2)C1 ZINC000355902350 385798830 /nfs/dbraw/zinc/79/88/30/385798830.db2.gz DAUVNEYJCPVYDS-KGLIPLIRSA-N 2 1 247.386 2.416 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC000355902350 385798834 /nfs/dbraw/zinc/79/88/34/385798834.db2.gz DAUVNEYJCPVYDS-KGLIPLIRSA-N 2 1 247.386 2.416 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2ccccn2)C1 ZINC000355902350 385798836 /nfs/dbraw/zinc/79/88/36/385798836.db2.gz DAUVNEYJCPVYDS-KGLIPLIRSA-N 2 1 247.386 2.416 20 0 BEADMP CCC[NH2+]CC[NH2+][C@H]1CCc2ccccc2C1 ZINC000414871501 385857417 /nfs/dbraw/zinc/85/74/17/385857417.db2.gz OAMACQVTRFVWKE-HNNXBMFYSA-N 2 1 232.371 2.133 20 0 BEADMP CCCCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228474463 385838091 /nfs/dbraw/zinc/83/80/91/385838091.db2.gz AGNNIWCLQKYANJ-YNEHKIRRSA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228471666 385838269 /nfs/dbraw/zinc/83/82/69/385838269.db2.gz VOJJTLOLMKSIDR-WUHRBBMRSA-N 2 1 210.365 2.092 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cnccc1C ZINC000271611464 385842136 /nfs/dbraw/zinc/84/21/36/385842136.db2.gz WZZSHAQRCXBADB-LBPRGKRZSA-N 2 1 244.342 2.246 20 0 BEADMP C[C@@H](CCc1ccsc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414867134 385791474 /nfs/dbraw/zinc/79/14/74/385791474.db2.gz GFBNJYDXTFQBJO-CMPLNLGQSA-N 2 1 224.373 2.021 20 0 BEADMP CCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C[NH3+] ZINC000414946216 385795534 /nfs/dbraw/zinc/79/55/34/385795534.db2.gz SBLLCNJUJINYKR-GXTWGEPZSA-N 2 1 220.360 2.335 20 0 BEADMP CCC[NH2+]CC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000414876493 385909583 /nfs/dbraw/zinc/90/95/83/385909583.db2.gz VYHYCPILZDKMNI-AWEZNQCLSA-N 2 1 234.387 2.454 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000340469492 385859696 /nfs/dbraw/zinc/85/96/96/385859696.db2.gz KEFWBJLGRACTON-UONOGXRCSA-N 2 1 242.407 2.264 20 0 BEADMP C[NH2+]CC[N@H+](C)C[C@@H](C)CCc1ccccc1 ZINC000346687855 385872805 /nfs/dbraw/zinc/87/28/05/385872805.db2.gz WWWXBIBPJPBRJZ-AWEZNQCLSA-N 2 1 234.387 2.407 20 0 BEADMP C[NH2+]CC[N@@H+](C)C[C@@H](C)CCc1ccccc1 ZINC000346687855 385872807 /nfs/dbraw/zinc/87/28/07/385872807.db2.gz WWWXBIBPJPBRJZ-AWEZNQCLSA-N 2 1 234.387 2.407 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@](C)(CC)OC)C1 ZINC000638136048 385879075 /nfs/dbraw/zinc/87/90/75/385879075.db2.gz WRBKHOVNMJTZTO-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cccnc1 ZINC000221037918 385979795 /nfs/dbraw/zinc/97/97/95/385979795.db2.gz VHJOJBDVKQKDBZ-CYBMUJFWSA-N 2 1 235.375 2.463 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cccnc1 ZINC000221037918 385979797 /nfs/dbraw/zinc/97/97/97/385979797.db2.gz VHJOJBDVKQKDBZ-CYBMUJFWSA-N 2 1 235.375 2.463 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](OC)C[C@H]1C ZINC000338365493 385980423 /nfs/dbraw/zinc/98/04/23/385980423.db2.gz RRRZLWMSCZNAFB-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000335020807 385981054 /nfs/dbraw/zinc/98/10/54/385981054.db2.gz BDWKYJJUIGMLKA-ZFWWWQNUSA-N 2 1 241.338 2.204 20 0 BEADMP CC[C@H]1CC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336748836 385988914 /nfs/dbraw/zinc/98/89/14/385988914.db2.gz CZUGPKNMFGWKBC-QWHCGFSZSA-N 2 1 208.349 2.027 20 0 BEADMP Cc1ncc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])s1 ZINC000335039899 385931218 /nfs/dbraw/zinc/93/12/18/385931218.db2.gz NFWDLIYTQWXGFS-NWDGAFQWSA-N 2 1 239.388 2.201 20 0 BEADMP Cc1ncsc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000335043791 385935318 /nfs/dbraw/zinc/93/53/18/385935318.db2.gz WZEIHBSLWROPNX-GHMZBOCLSA-N 2 1 239.388 2.201 20 0 BEADMP Cc1ncsc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000335043816 385936115 /nfs/dbraw/zinc/93/61/15/385936115.db2.gz WZEIHBSLWROPNX-WDEREUQCSA-N 2 1 239.388 2.201 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000414060219 385937494 /nfs/dbraw/zinc/93/74/94/385937494.db2.gz JFLOWHDOJKAFHT-UMSGYPCISA-N 2 1 212.381 2.351 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000414067629 385944730 /nfs/dbraw/zinc/94/47/30/385944730.db2.gz JDLRBWCGZFAQJF-NQBHXWOUSA-N 2 1 221.348 2.216 20 0 BEADMP CC[N@H+](CC[NH2+][C@H](C)[C@@H]1C[C@@H]1C)C(C)C ZINC000414080091 385949656 /nfs/dbraw/zinc/94/96/56/385949656.db2.gz SRMMWHORSFWPKB-YNEHKIRRSA-N 2 1 212.381 2.351 20 0 BEADMP CC[N@@H+](CC[NH2+][C@H](C)[C@@H]1C[C@@H]1C)C(C)C ZINC000414080091 385949661 /nfs/dbraw/zinc/94/96/61/385949661.db2.gz SRMMWHORSFWPKB-YNEHKIRRSA-N 2 1 212.381 2.351 20 0 BEADMP [NH3+]C1(C[NH2+][C@@H]2CCCOc3ccccc32)CCC1 ZINC000335052469 385951987 /nfs/dbraw/zinc/95/19/87/385951987.db2.gz LKRGYMXXNBGVRQ-CYBMUJFWSA-N 2 1 246.354 2.371 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](C)[C@H](CO)CC(C)C ZINC000338297785 385958849 /nfs/dbraw/zinc/95/88/49/385958849.db2.gz XCKDIFSAEXLNMQ-AWEZNQCLSA-N 2 1 244.423 2.057 20 0 BEADMP CO[C@@H](C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)C1CC1 ZINC000425419629 385997763 /nfs/dbraw/zinc/99/77/63/385997763.db2.gz QRAPCWWELYHIJA-OLZOCXBDSA-N 2 1 249.358 2.014 20 0 BEADMP Cc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)ccc1Cl ZINC000414885317 386055727 /nfs/dbraw/zinc/05/57/27/386055727.db2.gz GJKLYADDYDQSMX-ZDUSSCGKSA-N 2 1 238.762 2.475 20 0 BEADMP C[NH+]1CCC(Nc2cc3c(c[nH+]2)CCC3)CC1 ZINC000334434573 386055770 /nfs/dbraw/zinc/05/57/70/386055770.db2.gz NXONRVCQLLWMRL-UHFFFAOYSA-N 2 1 231.343 2.076 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000414974430 386009457 /nfs/dbraw/zinc/00/94/57/386009457.db2.gz DMPPTWZRGOXADI-SNVBAGLBSA-N 2 1 244.285 2.115 20 0 BEADMP CCCc1cccc(C[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000414881955 386009840 /nfs/dbraw/zinc/00/98/40/386009840.db2.gz BEXYMPTZLPDKRD-OAHLLOKOSA-N 2 1 232.371 2.466 20 0 BEADMP C[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)[C@@H]1CC1(C)C ZINC000336752170 386015565 /nfs/dbraw/zinc/01/55/65/386015565.db2.gz VMWUBNSQXOILQV-WCFLWFBJSA-N 2 1 224.392 2.351 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2coc3ccccc23)CCC1 ZINC000414883447 386029899 /nfs/dbraw/zinc/02/98/99/386029899.db2.gz UXOFPTZAIUQWJH-UHFFFAOYSA-N 2 1 230.311 2.404 20 0 BEADMP C[C@H](C[NH2+]Cc1ccc(F)cc1)C[NH+](C)C ZINC000291762328 386041203 /nfs/dbraw/zinc/04/12/03/386041203.db2.gz RQIDVZPJBGBLBT-LLVKDONJSA-N 2 1 224.323 2.113 20 0 BEADMP [NH3+][C@@H](C[NH2+]Cc1cc(Cl)cs1)C1CC1 ZINC000414884625 386047000 /nfs/dbraw/zinc/04/70/00/386047000.db2.gz FVKQTITUHBAIQO-JTQLQIEISA-N 2 1 230.764 2.228 20 0 BEADMP c1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414884745 386048135 /nfs/dbraw/zinc/04/81/35/386048135.db2.gz OPINMGUHHSZUAD-ILXRZTDVSA-N 2 1 230.355 2.274 20 0 BEADMP Cc1ccc(C)c(C[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000414884834 386049812 /nfs/dbraw/zinc/04/98/12/386049812.db2.gz BJOUOKFWFKKULG-CQSZACIVSA-N 2 1 218.344 2.130 20 0 BEADMP F[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000414291495 386101818 /nfs/dbraw/zinc/10/18/18/386101818.db2.gz UKOXHEIBSBABER-IGQOVBAYSA-N 2 1 240.366 2.484 20 0 BEADMP Cc1cncc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)c1 ZINC000274575942 386120877 /nfs/dbraw/zinc/12/08/77/386120877.db2.gz IEPXNUYUPBBAPG-OLZOCXBDSA-N 2 1 235.375 2.381 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[C@]32C)CC1 ZINC000336753638 386068131 /nfs/dbraw/zinc/06/81/31/386068131.db2.gz FGQVXDBHYSUMOL-IACUBPJLSA-N 2 1 222.376 2.249 20 0 BEADMP CC[N@H+](CC[NH2+]C1CC(C)(C)C1)C(C)C ZINC000336772606 386068702 /nfs/dbraw/zinc/06/87/02/386068702.db2.gz XUVDSOCDQNEGPM-UHFFFAOYSA-N 2 1 212.381 2.495 20 0 BEADMP CC[N@@H+](CC[NH2+]C1CC(C)(C)C1)C(C)C ZINC000336772606 386068708 /nfs/dbraw/zinc/06/87/08/386068708.db2.gz XUVDSOCDQNEGPM-UHFFFAOYSA-N 2 1 212.381 2.495 20 0 BEADMP Fc1ccc(F)c(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000129254736 386070176 /nfs/dbraw/zinc/07/01/76/386070176.db2.gz CSPRUOWDSUDDIQ-GFCCVEGCSA-N 2 1 240.297 2.197 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC2(C)C)[C@H]2CCC[C@@H]21 ZINC000414217392 386073998 /nfs/dbraw/zinc/07/39/98/386073998.db2.gz CCSCJFYWAXFXHA-VOAKCMCISA-N 2 1 222.376 2.247 20 0 BEADMP C[N@@H+](CCn1ccnc1)C1CCC(F)(F)CC1 ZINC000286989601 386088937 /nfs/dbraw/zinc/08/89/37/386088937.db2.gz PITRXSIQELQLJQ-UHFFFAOYSA-N 2 1 243.301 2.393 20 0 BEADMP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000414892306 386150282 /nfs/dbraw/zinc/15/02/82/386150282.db2.gz XZSSXLIDONXXAI-CABCVRRESA-N 2 1 232.371 2.349 20 0 BEADMP C[N@@H+](CCC[NH3+])[C@@H]1CCCc2ccccc21 ZINC000106164353 386156892 /nfs/dbraw/zinc/15/68/92/386156892.db2.gz CHZJADGLZLIALG-CQSZACIVSA-N 2 1 218.344 2.345 20 0 BEADMP Cc1cc(N(C)C[C@H]2CCC[N@@H+](C)C2)cc[nH+]1 ZINC000274931773 386163850 /nfs/dbraw/zinc/16/38/50/386163850.db2.gz QZYFVXKONXIJGO-ZDUSSCGKSA-N 2 1 233.359 2.168 20 0 BEADMP CC(C)c1cnc(C[NH2+][C@H](C)CC[NH3+])s1 ZINC000414893924 386169138 /nfs/dbraw/zinc/16/91/38/386169138.db2.gz KSLAWZKCOBZJLC-SECBINFHSA-N 2 1 227.377 2.093 20 0 BEADMP CCOC[C@@H]1CCC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414686905 386176156 /nfs/dbraw/zinc/17/61/56/386176156.db2.gz BTGZDVDHGUWMHF-ZIAGYGMSSA-N 2 1 242.407 2.108 20 0 BEADMP CCOC[C@@H]1CCC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414686905 386176160 /nfs/dbraw/zinc/17/61/60/386176160.db2.gz BTGZDVDHGUWMHF-ZIAGYGMSSA-N 2 1 242.407 2.108 20 0 BEADMP COC1CCC([N@@H+](C)C[C@H](N)CC(C)C)CC1 ZINC000414691034 386185251 /nfs/dbraw/zinc/18/52/51/386185251.db2.gz IKFUGRJNFDAAJZ-IYXRBSQSSA-N 2 1 242.407 2.249 20 0 BEADMP C1CC1[C@H]1CCCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000414895058 386187727 /nfs/dbraw/zinc/18/77/27/386187727.db2.gz VOOKHAYETJCTOK-BFHYXJOUSA-N 2 1 222.376 2.297 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(OC(C)C)c1 ZINC000414987920 386124713 /nfs/dbraw/zinc/12/47/13/386124713.db2.gz ZLLWUSDJCKDHNE-CYBMUJFWSA-N 2 1 236.359 2.301 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+]CC1(COC)CCC1 ZINC000310126803 386129275 /nfs/dbraw/zinc/12/92/75/386129275.db2.gz JKPXPIRJZJXMQJ-ZDUSSCGKSA-N 2 1 242.407 2.123 20 0 BEADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC3CC3)C2)C1 ZINC000334466649 386130062 /nfs/dbraw/zinc/13/00/62/386130062.db2.gz DKKRPNMXFLUQCP-CQSZACIVSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC000334466649 386130068 /nfs/dbraw/zinc/13/00/68/386130068.db2.gz DKKRPNMXFLUQCP-CQSZACIVSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC000334466649 386130072 /nfs/dbraw/zinc/13/00/72/386130072.db2.gz DKKRPNMXFLUQCP-CQSZACIVSA-N 2 1 222.376 2.204 20 0 BEADMP CC(C)[C@H]1CCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000414890758 386131263 /nfs/dbraw/zinc/13/12/63/386131263.db2.gz NATUJLVBXAPYSU-YNEHKIRRSA-N 2 1 210.365 2.153 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H]2c2ccco2)CC1 ZINC000414342604 386132734 /nfs/dbraw/zinc/13/27/34/386132734.db2.gz QCWULOCTYCDVAW-CHWSQXEVSA-N 2 1 234.343 2.209 20 0 BEADMP [NH3+]CCC[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000414691844 386189353 /nfs/dbraw/zinc/18/93/53/386189353.db2.gz JVTCFIGXPKGYNV-GFCCVEGCSA-N 2 1 238.762 2.478 20 0 BEADMP c1csc([C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647872813 386141007 /nfs/dbraw/zinc/14/10/07/386141007.db2.gz WXSJDKSHDPPKIF-RYUDHWBXSA-N 2 1 236.384 2.495 20 0 BEADMP CCCC[N@@H+](CCOC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414701169 386202843 /nfs/dbraw/zinc/20/28/43/386202843.db2.gz UBNVRQYRPRSPKU-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC2(C)CCC2)C1 ZINC000340282431 386204525 /nfs/dbraw/zinc/20/45/25/386204525.db2.gz KDSTZLZOIILNQP-CYBMUJFWSA-N 2 1 224.392 2.450 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](CC2(C)CCC2)C1 ZINC000340282431 386204529 /nfs/dbraw/zinc/20/45/29/386204529.db2.gz KDSTZLZOIILNQP-CYBMUJFWSA-N 2 1 224.392 2.450 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC2(C)CCC2)C1 ZINC000340282431 386204534 /nfs/dbraw/zinc/20/45/34/386204534.db2.gz KDSTZLZOIILNQP-CYBMUJFWSA-N 2 1 224.392 2.450 20 0 BEADMP [NH3+]CCC[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000414699543 386204503 /nfs/dbraw/zinc/20/45/03/386204503.db2.gz IRIJVWMTSLEJOB-CQSZACIVSA-N 2 1 236.334 2.181 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000131678147 386213978 /nfs/dbraw/zinc/21/39/78/386213978.db2.gz DJCRXGQGHNOFAK-UONOGXRCSA-N 2 1 232.371 2.473 20 0 BEADMP CCO[C@H]1C[C@H]([N@@H+](C)CCC[NH3+])C1(CC)CC ZINC000414704077 386216147 /nfs/dbraw/zinc/21/61/47/386216147.db2.gz JEXHXUNDIIFAGS-STQMWFEESA-N 2 1 242.407 2.251 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC2(SC)CC2)C1 ZINC000340562107 386228878 /nfs/dbraw/zinc/22/88/78/386228878.db2.gz VIGRFMFMEPCOIS-GFCCVEGCSA-N 2 1 242.432 2.156 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](CC2(SC)CC2)C1 ZINC000340562107 386228882 /nfs/dbraw/zinc/22/88/82/386228882.db2.gz VIGRFMFMEPCOIS-GFCCVEGCSA-N 2 1 242.432 2.156 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC2(SC)CC2)C1 ZINC000340562107 386228888 /nfs/dbraw/zinc/22/88/88/386228888.db2.gz VIGRFMFMEPCOIS-GFCCVEGCSA-N 2 1 242.432 2.156 20 0 BEADMP CC[C@H](C)[C@H](C)[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647884519 386260364 /nfs/dbraw/zinc/26/03/64/386260364.db2.gz ZECYVXSBODGPAU-AVGNSLFASA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339066400 386232659 /nfs/dbraw/zinc/23/26/59/386232659.db2.gz BZKLPLKIBXGSBJ-SNPRPXQTSA-N 2 1 248.370 2.427 20 0 BEADMP CC(C)(C)C[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647882633 386234659 /nfs/dbraw/zinc/23/46/59/386234659.db2.gz HSGABDGIDCGDKI-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000347117881 386235250 /nfs/dbraw/zinc/23/52/50/386235250.db2.gz XJEVGUDEFHDUBC-HSWBROFVSA-N 2 1 248.345 2.380 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000347117881 386235258 /nfs/dbraw/zinc/23/52/58/386235258.db2.gz XJEVGUDEFHDUBC-HSWBROFVSA-N 2 1 248.345 2.380 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000347084545 386242736 /nfs/dbraw/zinc/24/27/36/386242736.db2.gz AQRHTURSQQOLON-AORQRIRUSA-N 2 1 234.318 2.120 20 0 BEADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CCC1 ZINC000336646634 386255660 /nfs/dbraw/zinc/25/56/60/386255660.db2.gz KWQAYOICEVKXTH-LBPRGKRZSA-N 2 1 210.365 2.345 20 0 BEADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CCC1 ZINC000336646634 386255668 /nfs/dbraw/zinc/25/56/68/386255668.db2.gz KWQAYOICEVKXTH-LBPRGKRZSA-N 2 1 210.365 2.345 20 0 BEADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)C1CCC1 ZINC000336646634 386255672 /nfs/dbraw/zinc/25/56/72/386255672.db2.gz KWQAYOICEVKXTH-LBPRGKRZSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccco1 ZINC000275278147 386199284 /nfs/dbraw/zinc/19/92/84/386199284.db2.gz MPYXHVWRDCNBJN-AAEUAGOBSA-N 2 1 222.332 2.052 20 0 BEADMP C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccco1 ZINC000275278147 386199287 /nfs/dbraw/zinc/19/92/87/386199287.db2.gz MPYXHVWRDCNBJN-AAEUAGOBSA-N 2 1 222.332 2.052 20 0 BEADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccco1 ZINC000275278147 386199290 /nfs/dbraw/zinc/19/92/90/386199290.db2.gz MPYXHVWRDCNBJN-AAEUAGOBSA-N 2 1 222.332 2.052 20 0 BEADMP C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C1CC1 ZINC000336663055 386281143 /nfs/dbraw/zinc/28/11/43/386281143.db2.gz DTRACCJHCKOGMU-CQSZACIVSA-N 2 1 222.376 2.204 20 0 BEADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@H]2CC2(C)C)CC[NH2+]1 ZINC000414741521 386324235 /nfs/dbraw/zinc/32/42/35/386324235.db2.gz MNYYBZLLZOINKV-UTUOFQBUSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647885884 386297098 /nfs/dbraw/zinc/29/70/98/386297098.db2.gz DRFTWKROMNKOCK-IJEWVQPXSA-N 2 1 244.382 2.474 20 0 BEADMP CC(C)C[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000308457477 386324717 /nfs/dbraw/zinc/32/47/17/386324717.db2.gz FFHDFSNZBZLHPK-VXGBXAGGSA-N 2 1 200.370 2.384 20 0 BEADMP CC[N@@H+](CCC[NH3+])[C@@H](C)c1cccc(O)c1 ZINC000414734218 386300168 /nfs/dbraw/zinc/30/01/68/386300168.db2.gz BQAWQIYWTLXDPD-NSHDSACASA-N 2 1 222.332 2.124 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414737031 386304639 /nfs/dbraw/zinc/30/46/39/386304639.db2.gz IFTNPZXSIFWRBR-MQYQWHSLSA-N 2 1 224.392 2.495 20 0 BEADMP Cc1ccncc1C[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414738293 386317502 /nfs/dbraw/zinc/31/75/02/386317502.db2.gz JAWYYYCAMWOYLV-UONOGXRCSA-N 2 1 247.386 2.210 20 0 BEADMP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@@H]2C(F)F)CC[NH2+]1 ZINC000414738332 386318161 /nfs/dbraw/zinc/31/81/61/386318161.db2.gz JCVRETLQOCFTTB-IJLUTSLNSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@@H]2C(F)F)CC[NH2+]1 ZINC000414738332 386318167 /nfs/dbraw/zinc/31/81/67/386318167.db2.gz JCVRETLQOCFTTB-IJLUTSLNSA-N 2 1 246.345 2.494 20 0 BEADMP CSCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000336650724 386263649 /nfs/dbraw/zinc/26/36/49/386263649.db2.gz SYBHYDJMXPLORJ-UHFFFAOYSA-N 2 1 230.421 2.154 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+]C(C)(C)c1ccccc1 ZINC000297618075 386266804 /nfs/dbraw/zinc/26/68/04/386266804.db2.gz GYKHLXFJCBGACN-UHFFFAOYSA-N 2 1 243.354 2.488 20 0 BEADMP CC(C)Oc1ccccc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000347182076 386273702 /nfs/dbraw/zinc/27/37/02/386273702.db2.gz VXUMVIFKTAXXIW-ZDUSSCGKSA-N 2 1 248.370 2.254 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc(N)c1 ZINC000340581680 386278340 /nfs/dbraw/zinc/27/83/40/386278340.db2.gz DHCYAONWHHGFOE-CQSZACIVSA-N 2 1 235.375 2.074 20 0 BEADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647889348 386356648 /nfs/dbraw/zinc/35/66/48/386356648.db2.gz JBTNKLCXSKJPCF-IIAWOOMASA-N 2 1 244.382 2.474 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000063191807 386365292 /nfs/dbraw/zinc/36/52/92/386365292.db2.gz AFERYDOMUDHULF-JSGCOSHPSA-N 2 1 218.344 2.388 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000063191807 386365298 /nfs/dbraw/zinc/36/52/98/386365298.db2.gz AFERYDOMUDHULF-JSGCOSHPSA-N 2 1 218.344 2.388 20 0 BEADMP C[NH+](C)CCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000276880213 386385514 /nfs/dbraw/zinc/38/55/14/386385514.db2.gz ZIUQQCODDVHCTL-AWEZNQCLSA-N 2 1 248.370 2.311 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]21 ZINC000230047020 386336772 /nfs/dbraw/zinc/33/67/72/386336772.db2.gz BKFMLEFIOYCBQP-CORIIIEPSA-N 2 1 248.345 2.385 20 0 BEADMP COc1ccc([C@H](C)C[N@@H+](C)C2CC([NH3+])C2)cc1 ZINC000414769383 386446353 /nfs/dbraw/zinc/44/63/53/386446353.db2.gz KBBLNRCSVFDBBN-LMWSTFAQSA-N 2 1 248.370 2.220 20 0 BEADMP CSc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000415008608 386389496 /nfs/dbraw/zinc/38/94/96/386389496.db2.gz MZDCWKLMNHDPQF-NXEZZACHSA-N 2 1 224.373 2.234 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC000093216137 386405396 /nfs/dbraw/zinc/40/53/96/386405396.db2.gz IVGUTYMJTSMCKE-NEPJUHHUSA-N 2 1 240.297 2.324 20 0 BEADMP [NH3+][C@H]1CCC[N@H+](CCCCOc2ccccc2)C1 ZINC000339408291 386412906 /nfs/dbraw/zinc/41/29/06/386412906.db2.gz XNHYWNKEOIJWTB-AWEZNQCLSA-N 2 1 248.370 2.269 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+](CCCCOc2ccccc2)C1 ZINC000339408291 386412912 /nfs/dbraw/zinc/41/29/12/386412912.db2.gz XNHYWNKEOIJWTB-AWEZNQCLSA-N 2 1 248.370 2.269 20 0 BEADMP C[NH+](C)[C@H]1CCC[N@@H+](CCc2ccncc2)CC1 ZINC000277152417 386413387 /nfs/dbraw/zinc/41/33/87/386413387.db2.gz JRBRROPCKKIQOX-HNNXBMFYSA-N 2 1 247.386 2.040 20 0 BEADMP Cc1ccc(CCC[N@@H+]2CCCC[C@H]2C[NH3+])cn1 ZINC000339407395 386413469 /nfs/dbraw/zinc/41/34/69/386413469.db2.gz KMPDJGOJZGNJKW-HNNXBMFYSA-N 2 1 247.386 2.136 20 0 BEADMP Cc1ccc(CCC[N@H+]2CCCC[C@H]2C[NH3+])cn1 ZINC000339407395 386413476 /nfs/dbraw/zinc/41/34/76/386413476.db2.gz KMPDJGOJZGNJKW-HNNXBMFYSA-N 2 1 247.386 2.136 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](CCCCCOc2ccccc2)C1 ZINC000339408192 386414782 /nfs/dbraw/zinc/41/47/82/386414782.db2.gz VIYZGEILOIEFNO-CQSZACIVSA-N 2 1 248.370 2.269 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](CCCCCOc2ccccc2)C1 ZINC000339408192 386414789 /nfs/dbraw/zinc/41/47/89/386414789.db2.gz VIYZGEILOIEFNO-CQSZACIVSA-N 2 1 248.370 2.269 20 0 BEADMP Cc1ccc(CCC[N@@H+]2CCCC[C@@H]2C[NH3+])cn1 ZINC000339407396 386414969 /nfs/dbraw/zinc/41/49/69/386414969.db2.gz KMPDJGOJZGNJKW-OAHLLOKOSA-N 2 1 247.386 2.136 20 0 BEADMP Cc1ccc(CCC[N@H+]2CCCC[C@@H]2C[NH3+])cn1 ZINC000339407396 386414972 /nfs/dbraw/zinc/41/49/72/386414972.db2.gz KMPDJGOJZGNJKW-OAHLLOKOSA-N 2 1 247.386 2.136 20 0 BEADMP Cc1ccoc1C[NH2+]CCCn1cc[nH+]c1C ZINC000266241950 386417665 /nfs/dbraw/zinc/41/76/65/386417665.db2.gz XGXZFHFPEUJUJG-UHFFFAOYSA-N 2 1 233.315 2.273 20 0 BEADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOC(C)C)C1 ZINC000336708638 386417990 /nfs/dbraw/zinc/41/79/90/386417990.db2.gz IQCZEADOTBPOHL-CQSZACIVSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOC(C)C)C1 ZINC000336708638 386417993 /nfs/dbraw/zinc/41/79/93/386417993.db2.gz IQCZEADOTBPOHL-CQSZACIVSA-N 2 1 242.407 2.075 20 0 BEADMP CCCCOC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000339415901 386419124 /nfs/dbraw/zinc/41/91/24/386419124.db2.gz XFPDOAIOOUICNF-UHFFFAOYSA-N 2 1 228.380 2.005 20 0 BEADMP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C1CC1 ZINC000336777714 386431136 /nfs/dbraw/zinc/43/11/36/386431136.db2.gz JIDQNOBXEFQBMP-SECBINFHSA-N 2 1 239.388 2.093 20 0 BEADMP C[C@@H](Cc1ccccc1)C[N@@H+](C)C1CC([NH3+])C1 ZINC000414778487 386489636 /nfs/dbraw/zinc/48/96/36/386489636.db2.gz QEMYLKRHUDLFRZ-GRTSSRMGSA-N 2 1 232.371 2.287 20 0 BEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1coc2ccccc12 ZINC000415015729 386499739 /nfs/dbraw/zinc/49/97/39/386499739.db2.gz ZCVSLBZAFIGQJZ-NXEZZACHSA-N 2 1 218.300 2.258 20 0 BEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1coc2ccccc12 ZINC000415015732 386500962 /nfs/dbraw/zinc/50/09/62/386500962.db2.gz ZCVSLBZAFIGQJZ-ZJUUUORDSA-N 2 1 218.300 2.258 20 0 BEADMP C[C@@H]([NH2+]C/C=C/c1ccc(F)cc1F)[C@H](C)[NH3+] ZINC000415014987 386501390 /nfs/dbraw/zinc/50/13/90/386501390.db2.gz MQUADZKUHNETQZ-FCVPOFOPSA-N 2 1 240.297 2.303 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@H]1CCC[C@H](C)C1 ZINC000415050481 386506667 /nfs/dbraw/zinc/50/66/67/386506667.db2.gz CWZZBTQGWYSFDC-CYDGBPFRSA-N 2 1 210.365 2.234 20 0 BEADMP CC(C)(C)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414783755 386508082 /nfs/dbraw/zinc/50/80/82/386508082.db2.gz QMJOFFZZXNFTGM-QWHCGFSZSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000415022583 386510890 /nfs/dbraw/zinc/51/08/90/386510890.db2.gz VPHULTDLTHDORR-GHMZBOCLSA-N 2 1 218.344 2.389 20 0 BEADMP C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000415052474 386511783 /nfs/dbraw/zinc/51/17/83/386511783.db2.gz HQSKBVINJQZWQC-YDHLFZDLSA-N 2 1 232.371 2.287 20 0 BEADMP COc1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000415042143 386530206 /nfs/dbraw/zinc/53/02/06/386530206.db2.gz MEAXXGPBBJWOKY-OAHLLOKOSA-N 2 1 248.370 2.302 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415033812 386522195 /nfs/dbraw/zinc/52/21/95/386522195.db2.gz CCAALLDVQFTLCJ-AAVRWANBSA-N 2 1 222.376 2.106 20 0 BEADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(F)c1)C1CCCC1 ZINC000415037629 386524185 /nfs/dbraw/zinc/52/41/85/386524185.db2.gz GWPWUFNGIVKLLD-CQSZACIVSA-N 2 1 236.334 2.433 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC000415010358 386455297 /nfs/dbraw/zinc/45/52/97/386455297.db2.gz OYWILMCAJZEGFN-QWRGUYRKSA-N 2 1 229.327 2.060 20 0 BEADMP Cc1ccncc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000290610985 386458621 /nfs/dbraw/zinc/45/86/21/386458621.db2.gz WNTDCSMGJDHPFZ-ZFWWWQNUSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccncc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000290610985 386458624 /nfs/dbraw/zinc/45/86/24/386458624.db2.gz WNTDCSMGJDHPFZ-ZFWWWQNUSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccncc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000290610985 386458631 /nfs/dbraw/zinc/45/86/31/386458631.db2.gz WNTDCSMGJDHPFZ-ZFWWWQNUSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccncc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000290610985 386458633 /nfs/dbraw/zinc/45/86/33/386458633.db2.gz WNTDCSMGJDHPFZ-ZFWWWQNUSA-N 2 1 247.386 2.162 20 0 BEADMP C[C@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CC2)C[C@@H](C)C1 ZINC000414795700 386575898 /nfs/dbraw/zinc/57/58/98/386575898.db2.gz GYOGMPIRXKGVIO-YGNMPJRFSA-N 2 1 210.365 2.138 20 0 BEADMP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H](C)C[NH3+] ZINC000414920882 386576833 /nfs/dbraw/zinc/57/68/33/386576833.db2.gz AIOCRYMVIUVZNO-TZMCWYRMSA-N 2 1 220.360 2.253 20 0 BEADMP CCCOc1cccc(C[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000414799136 386577398 /nfs/dbraw/zinc/57/73/98/386577398.db2.gz JSEZAOILTCDSPA-HNNXBMFYSA-N 2 1 248.370 2.302 20 0 BEADMP C[C@@H](CCCC(F)(F)F)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414797127 386577541 /nfs/dbraw/zinc/57/75/41/386577541.db2.gz AZNSGLNAJWDPNE-WCBMZHEXSA-N 2 1 238.297 2.434 20 0 BEADMP CC[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977777 386577926 /nfs/dbraw/zinc/57/79/26/386577926.db2.gz HNSXPYOXGFAIQT-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP Fc1cccc(CCC[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000415076354 386580985 /nfs/dbraw/zinc/58/09/85/386580985.db2.gz AWFWHXPNXXEALC-AWEZNQCLSA-N 2 1 236.334 2.100 20 0 BEADMP CCc1ccc(C[NH2+][C@H](CN)C2CC2)cc1 ZINC000414800063 386594159 /nfs/dbraw/zinc/59/41/59/386594159.db2.gz KOEWNYSQZRNYNM-CQSZACIVSA-N 2 1 218.344 2.076 20 0 BEADMP CCc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000414800063 386594166 /nfs/dbraw/zinc/59/41/66/386594166.db2.gz KOEWNYSQZRNYNM-CQSZACIVSA-N 2 1 218.344 2.076 20 0 BEADMP C[C@@H](C[NH2+][C@H](C[NH3+])C1CC1)Cc1ccccc1 ZINC000414802738 386595923 /nfs/dbraw/zinc/59/59/23/386595923.db2.gz NASHBRRIAHYRJH-IUODEOHRSA-N 2 1 232.371 2.192 20 0 BEADMP Cc1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1 ZINC000415044861 386531120 /nfs/dbraw/zinc/53/11/20/386531120.db2.gz BGAYTGBOPOMUPQ-ZDUSSCGKSA-N 2 1 220.360 2.458 20 0 BEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccsc1 ZINC000415047584 386534582 /nfs/dbraw/zinc/53/45/82/386534582.db2.gz DZLQBMXOYLEDJS-SNVBAGLBSA-N 2 1 212.362 2.211 20 0 BEADMP Nc1cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)ccn1 ZINC000228053149 386534793 /nfs/dbraw/zinc/53/47/93/386534793.db2.gz BCVLDQAFDUAHQT-QWHCGFSZSA-N 2 1 231.343 2.428 20 0 BEADMP CC(C)([NH3+])C[N@@H+]1CCCc2ccccc2C1 ZINC000062946154 386535279 /nfs/dbraw/zinc/53/52/79/386535279.db2.gz SYLJADALLDQNOO-UHFFFAOYSA-N 2 1 218.344 2.172 20 0 BEADMP CC(C)([NH3+])C[N@H+]1CCCc2ccccc2C1 ZINC000062946154 386535283 /nfs/dbraw/zinc/53/52/83/386535283.db2.gz SYLJADALLDQNOO-UHFFFAOYSA-N 2 1 218.344 2.172 20 0 BEADMP COc1ccc(C[NH2+][C@@H](CN)C(C)(C)C)cc1 ZINC000415055328 386538335 /nfs/dbraw/zinc/53/83/35/386538335.db2.gz OJWWAWNEQCLOGI-ZDUSSCGKSA-N 2 1 236.359 2.158 20 0 BEADMP COc1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1 ZINC000415055328 386538337 /nfs/dbraw/zinc/53/83/37/386538337.db2.gz OJWWAWNEQCLOGI-ZDUSSCGKSA-N 2 1 236.359 2.158 20 0 BEADMP C[C@@H](C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C)c1ccccc1 ZINC000415058591 386541148 /nfs/dbraw/zinc/54/11/48/386541148.db2.gz VYNGUEIGFQZPAH-OBJOEFQTSA-N 2 1 218.344 2.212 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCC23CC3)C1 ZINC000519710480 386542884 /nfs/dbraw/zinc/54/28/84/386542884.db2.gz NSOLOWADUSNXDY-QWHCGFSZSA-N 2 1 222.376 2.251 20 0 BEADMP C[NH2+]CCC[N@@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000647995196 386543535 /nfs/dbraw/zinc/54/35/35/386543535.db2.gz DIMZNGWEHKESIE-UHFFFAOYSA-N 2 1 247.386 2.212 20 0 BEADMP C[NH2+]CCC[N@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000647995196 386543540 /nfs/dbraw/zinc/54/35/40/386543540.db2.gz DIMZNGWEHKESIE-UHFFFAOYSA-N 2 1 247.386 2.212 20 0 BEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)C1CCC1 ZINC000415067374 386549214 /nfs/dbraw/zinc/54/92/14/386549214.db2.gz OZUPFJNPNJBNKI-GWCFXTLKSA-N 2 1 210.365 2.282 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC=C(C)C)[C@H](C)C1 ZINC000188447208 386554737 /nfs/dbraw/zinc/55/47/37/386554737.db2.gz XHCPIYDFYBWYDN-OLZOCXBDSA-N 2 1 210.365 2.273 20 0 BEADMP CCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647974964 386556550 /nfs/dbraw/zinc/55/65/50/386556550.db2.gz DQEKWVANEYFEFO-QWHCGFSZSA-N 2 1 210.365 2.108 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC=C(C)C)[C@H](C)C1 ZINC000188447232 386556733 /nfs/dbraw/zinc/55/67/33/386556733.db2.gz XHCPIYDFYBWYDN-CHWSQXEVSA-N 2 1 210.365 2.273 20 0 BEADMP Cc1cccc(C[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000414794744 386560388 /nfs/dbraw/zinc/56/03/88/386560388.db2.gz MBTUQYIJSVNZIM-CYBMUJFWSA-N 2 1 206.333 2.068 20 0 BEADMP CC(C)C[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000187567038 386561236 /nfs/dbraw/zinc/56/12/36/386561236.db2.gz NLPFPIQFAZDXEH-ZDUSSCGKSA-N 2 1 212.381 2.497 20 0 BEADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(F)cc1 ZINC000414795919 386564056 /nfs/dbraw/zinc/56/40/56/386564056.db2.gz BBQRZOIXTKPGJZ-UHFFFAOYSA-N 2 1 224.323 2.433 20 0 BEADMP C(C1CCC1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976489 386570458 /nfs/dbraw/zinc/57/04/58/386570458.db2.gz PMUQGZKWINISHH-CABCVRRESA-N 2 1 236.403 2.498 20 0 BEADMP Cc1cnccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000228653920 386597949 /nfs/dbraw/zinc/59/79/49/386597949.db2.gz WEXDQZLBDHOMNG-UHFFFAOYSA-N 2 1 247.386 2.352 20 0 BEADMP Cc1nc2ccc(C[NH2+]CC(C)(C)[NH3+])cc2s1 ZINC000414795493 386573564 /nfs/dbraw/zinc/57/35/64/386573564.db2.gz AKHKHPSFEGNGIB-UHFFFAOYSA-N 2 1 249.383 2.432 20 0 BEADMP C[C@H]1CC(C)(C)C[N@@H+]1CC[NH2+]C(C)(C)C ZINC000415111683 386619424 /nfs/dbraw/zinc/61/94/24/386619424.db2.gz APDZVASWYZIZMO-NSHDSACASA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H]1CC(C)(C)C[N@H+]1CC[NH2+]C(C)(C)C ZINC000415111683 386619433 /nfs/dbraw/zinc/61/94/33/386619433.db2.gz APDZVASWYZIZMO-NSHDSACASA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1CCCCC1 ZINC000414924252 386621466 /nfs/dbraw/zinc/62/14/66/386621466.db2.gz IMZXRMRYKBOPAY-WCQYABFASA-N 2 1 210.365 2.154 20 0 BEADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000414924672 386627333 /nfs/dbraw/zinc/62/73/33/386627333.db2.gz IYEGKUSVEKLETF-YIYPIFLZSA-N 2 1 224.392 2.400 20 0 BEADMP C[NH2+]CCC[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000415127526 386633072 /nfs/dbraw/zinc/63/30/72/386633072.db2.gz IKFHPZGYOOOEEA-HWKANZROSA-N 2 1 236.334 2.380 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C/C=C/c1ccc(F)cc1 ZINC000415127526 386633079 /nfs/dbraw/zinc/63/30/79/386633079.db2.gz IKFHPZGYOOOEEA-HWKANZROSA-N 2 1 236.334 2.380 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000414813481 386636319 /nfs/dbraw/zinc/63/63/19/386636319.db2.gz MNOXSWXOKKIUDN-MCIONIFRSA-N 2 1 242.407 2.297 20 0 BEADMP [NH3+]C[C@@H]([NH2+]CCC1CCCCC1)C1CC1 ZINC000414813250 386642737 /nfs/dbraw/zinc/64/27/37/386642737.db2.gz QKRHRCPDQDVCIG-CYBMUJFWSA-N 2 1 210.365 2.284 20 0 BEADMP CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414814335 386645926 /nfs/dbraw/zinc/64/59/26/386645926.db2.gz RPDHYPVDSKTCDQ-GJZGRUSLSA-N 2 1 232.371 2.335 20 0 BEADMP C[C@]1(C[NH2+]Cc2ccccc2Cl)CC[NH2+]C1 ZINC000415082109 386600136 /nfs/dbraw/zinc/60/01/36/386600136.db2.gz NVGHROZHIVHUTE-ZDUSSCGKSA-N 2 1 238.762 2.429 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+]C1)Cc1cccs1 ZINC000415085454 386600990 /nfs/dbraw/zinc/60/09/90/386600990.db2.gz QPUVPCCPBUPTPO-NWDGAFQWSA-N 2 1 238.400 2.268 20 0 BEADMP C[C@]1(C[NH2+]Cc2ccc(F)cc2F)CC[NH2+]C1 ZINC000415085296 386602011 /nfs/dbraw/zinc/60/20/11/386602011.db2.gz PUQBXEMYKSKOTO-ZDUSSCGKSA-N 2 1 240.297 2.054 20 0 BEADMP Cc1occc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414461920 386602120 /nfs/dbraw/zinc/60/21/20/386602120.db2.gz LMVKSTQHPRQJOA-ZDUSSCGKSA-N 2 1 236.359 2.410 20 0 BEADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000414806086 386605702 /nfs/dbraw/zinc/60/57/02/386605702.db2.gz POZONGQQNCIXPP-UHFFFAOYSA-N 2 1 246.358 2.170 20 0 BEADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414817365 386654971 /nfs/dbraw/zinc/65/49/71/386654971.db2.gz ZJZCRUCZHLRXAR-QMTHXVAHSA-N 2 1 236.334 2.084 20 0 BEADMP FCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978566 386606597 /nfs/dbraw/zinc/60/65/97/386606597.db2.gz UWORQOSCYUECBA-QWHCGFSZSA-N 2 1 228.355 2.058 20 0 BEADMP CC(C)([NH3+])C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000414804658 386608149 /nfs/dbraw/zinc/60/81/49/386608149.db2.gz NVLWFIPLIIHBPI-ONEGZZNKSA-N 2 1 222.307 2.166 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H](C[NH3+])C2CC2)C[C@H]1C ZINC000414804529 386609915 /nfs/dbraw/zinc/60/99/15/386609915.db2.gz KSRQPXHJNPIIAB-AAXDQBDMSA-N 2 1 210.365 2.138 20 0 BEADMP [NH3+]C[C@H]([NH2+]C/C=C/c1ccc(F)cc1)C1CC1 ZINC000414807926 386611124 /nfs/dbraw/zinc/61/11/24/386611124.db2.gz RTSPXHBBRLXOIZ-YUKKFKLSSA-N 2 1 234.318 2.166 20 0 BEADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414817366 386655257 /nfs/dbraw/zinc/65/52/57/386655257.db2.gz ZJZCRUCZHLRXAR-YGRLFVJLSA-N 2 1 236.334 2.084 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C[C@@H]1C ZINC000414924271 386619053 /nfs/dbraw/zinc/61/90/53/386619053.db2.gz IODWOOKTZVVCNE-IKOXMDCHSA-N 2 1 224.392 2.399 20 0 BEADMP CC(C)C[C@H]([NH3+])C[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000414819858 386661220 /nfs/dbraw/zinc/66/12/20/386661220.db2.gz ZVNZSQLAJLKVFP-DOMZBBRYSA-N 3 1 249.402 2.169 20 0 BEADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000414926224 386669940 /nfs/dbraw/zinc/66/99/40/386669940.db2.gz KNKVSHXAUWTNJW-NFAWXSAZSA-N 2 1 232.371 2.378 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000414821363 386676260 /nfs/dbraw/zinc/67/62/60/386676260.db2.gz DVKRWCCGCAGNHM-CHWSQXEVSA-N 2 1 210.365 2.154 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000414824349 386683342 /nfs/dbraw/zinc/68/33/42/386683342.db2.gz KERVXBDOZWQPOG-HUUCEWRRSA-N 2 1 232.371 2.440 20 0 BEADMP Cc1cnccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000294679885 386684013 /nfs/dbraw/zinc/68/40/13/386684013.db2.gz FBMURGKNIJYREN-UHFFFAOYSA-N 2 1 247.386 2.356 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000335468929 386685408 /nfs/dbraw/zinc/68/54/08/386685408.db2.gz WGHXKKZJXPTFOA-NOZJJQNGSA-N 2 1 222.307 2.140 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000335468930 386686487 /nfs/dbraw/zinc/68/64/87/386686487.db2.gz WGHXKKZJXPTFOA-RNCFNFMXSA-N 2 1 222.307 2.140 20 0 BEADMP CC[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000337256635 386691907 /nfs/dbraw/zinc/69/19/07/386691907.db2.gz SMVXTMXOIQISSJ-OCCSQVGLSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000337256635 386691915 /nfs/dbraw/zinc/69/19/15/386691915.db2.gz SMVXTMXOIQISSJ-OCCSQVGLSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000337256635 386691924 /nfs/dbraw/zinc/69/19/24/386691924.db2.gz SMVXTMXOIQISSJ-OCCSQVGLSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CCC1 ZINC000324926147 386694675 /nfs/dbraw/zinc/69/46/75/386694675.db2.gz MKQAWRXDCQWKJC-CHWSQXEVSA-N 2 1 210.365 2.297 20 0 BEADMP Cc1ccncc1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414831569 386706817 /nfs/dbraw/zinc/70/68/17/386706817.db2.gz CNTVWSAUFFBIPW-OAHLLOKOSA-N 2 1 247.386 2.387 20 0 BEADMP [NH3+]C[C@H]([NH2+]C[C@@H]1CCSC1)C1CCCCC1 ZINC000414838974 386740807 /nfs/dbraw/zinc/74/08/07/386740807.db2.gz LDYNQODVJDSZAH-AAEUAGOBSA-N 2 1 242.432 2.237 20 0 BEADMP C[C@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C[C@@H](C)C1 ZINC000414929370 386733084 /nfs/dbraw/zinc/73/30/84/386733084.db2.gz NUFNGLGMBXHAMO-VJTDZRGJSA-N 2 1 224.392 2.399 20 0 BEADMP CC[C@H](C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000340692953 386713199 /nfs/dbraw/zinc/71/31/99/386713199.db2.gz WNSMXQITFCZKTH-UMVBOHGHSA-N 2 1 232.371 2.459 20 0 BEADMP [NH3+]CCOCC[N@@H+](CC1CCCCC1)C1CC1 ZINC000357083917 386713614 /nfs/dbraw/zinc/71/36/14/386713614.db2.gz IXMUDBRKPVECNH-UHFFFAOYSA-N 2 1 240.391 2.006 20 0 BEADMP C[NH2+]CC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000414834321 386724229 /nfs/dbraw/zinc/72/42/29/386724229.db2.gz TWMRPRRIXUGWJC-CABCVRRESA-N 2 1 232.371 2.207 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+]CCC(C)(C)C ZINC000414840640 386752250 /nfs/dbraw/zinc/75/22/50/386752250.db2.gz MPHZMZMUFWJSMH-LLVKDONJSA-N 2 1 200.370 2.386 20 0 BEADMP CC(C)C[C@@H](C[NH3+])[NH2+]CCC(C)(C)C ZINC000414840642 386752578 /nfs/dbraw/zinc/75/25/78/386752578.db2.gz MPHZMZMUFWJSMH-NSHDSACASA-N 2 1 200.370 2.386 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H](C)Cc1ccccc1C ZINC000414845437 386791330 /nfs/dbraw/zinc/79/13/30/386791330.db2.gz LWKCFRBVDPBPJG-ZDUSSCGKSA-N 2 1 220.360 2.125 20 0 BEADMP [NH3+]CCC[N@H+](Cc1ccno1)CC1CCCC1 ZINC000647965994 386794923 /nfs/dbraw/zinc/79/49/23/386794923.db2.gz BRAXIPXXFVKPHR-UHFFFAOYSA-N 2 1 237.347 2.016 20 0 BEADMP C[C@@H](C[NH2+][C@@H](C)c1cncc(F)c1)C[NH+](C)C ZINC000336667523 386787952 /nfs/dbraw/zinc/78/79/52/386787952.db2.gz ACCUSAZSCNGUMD-QWRGUYRKSA-N 2 1 239.338 2.069 20 0 BEADMP C[C@H]1CCC[C@H](C[N@@H+](C)C2CC([NH3+])C2)C1 ZINC000394999403 386797520 /nfs/dbraw/zinc/79/75/20/386797520.db2.gz FPRYAGIQCFMSNG-ZSVAQUKISA-N 2 1 210.365 2.234 20 0 BEADMP Cc1cccc(CC[C@@H](C)[NH2+][C@H](C)C[NH3+])c1 ZINC000414934362 386800314 /nfs/dbraw/zinc/80/03/14/386800314.db2.gz VGAJVNCWXBIAEC-CHWSQXEVSA-N 2 1 220.360 2.253 20 0 BEADMP Cc1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1C ZINC000395006865 386803420 /nfs/dbraw/zinc/80/34/20/386803420.db2.gz JWFXOYVQUIVGNR-UHFFFAOYSA-N 2 1 218.344 2.225 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)Nc1cc[nH+]c(C)c1 ZINC000341117305 386839193 /nfs/dbraw/zinc/83/91/93/386839193.db2.gz JTRJVKKXJBGBIW-ZDUSSCGKSA-N 2 1 235.375 2.344 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCCCCF ZINC000336674028 386839497 /nfs/dbraw/zinc/83/94/97/386839497.db2.gz GYPLAGBCPJIJTE-VXGBXAGGSA-N 2 1 216.344 2.328 20 0 BEADMP CCc1cc(N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc[nH+]1 ZINC000334790254 386854471 /nfs/dbraw/zinc/85/44/71/386854471.db2.gz MJNXZWLNSIKTCV-SWLSCSKDSA-N 2 1 245.370 2.174 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000414942745 386893853 /nfs/dbraw/zinc/89/38/53/386893853.db2.gz KPEXQJQOSIPSRW-BPNCWPANSA-N 2 1 236.334 2.399 20 0 BEADMP Cc1nc(N[C@H](C)CC[NH+](C)C)c(C)c(C)[nH+]1 ZINC000301696258 386869773 /nfs/dbraw/zinc/86/97/73/386869773.db2.gz PTZYJADGHSVJED-SECBINFHSA-N 2 1 236.363 2.154 20 0 BEADMP Cc1nc(NCC[N@@H+](C)C(C)C)c(C)c(C)[nH+]1 ZINC000301709751 386870585 /nfs/dbraw/zinc/87/05/85/386870585.db2.gz XEQFMEYQYAKRAR-UHFFFAOYSA-N 2 1 236.363 2.154 20 0 BEADMP Cc1nc(NCC[N@H+](C)C(C)C)c(C)c(C)[nH+]1 ZINC000301709751 386870591 /nfs/dbraw/zinc/87/05/91/386870591.db2.gz XEQFMEYQYAKRAR-UHFFFAOYSA-N 2 1 236.363 2.154 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC3(CC3)C2)CC[NH2+]1 ZINC000334833060 386870772 /nfs/dbraw/zinc/87/07/72/386870772.db2.gz MLXQMHFWYILIHR-OLZOCXBDSA-N 2 1 222.376 2.251 20 0 BEADMP Cc1cc(C)c2c(c1)C[N@H+](CCC[NH3+])CC2 ZINC000334833892 386872663 /nfs/dbraw/zinc/87/26/63/386872663.db2.gz VFRDEMVUOYILQN-UHFFFAOYSA-N 2 1 218.344 2.010 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+]CC1(SC)CC1 ZINC000336745002 386890002 /nfs/dbraw/zinc/89/00/02/386890002.db2.gz ADBKDFUVIPSIGS-LLVKDONJSA-N 2 1 230.421 2.202 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2F)CC[NH2+]1 ZINC000334864598 386918786 /nfs/dbraw/zinc/91/87/86/386918786.db2.gz QLQQWAGLPVDWLO-ZYHUDNBSSA-N 2 1 222.307 2.056 20 0 BEADMP CC1(C)CC[C@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000334849593 386897778 /nfs/dbraw/zinc/89/77/78/386897778.db2.gz WYGKGYQNPZARBV-MNOVXSKESA-N 2 1 246.345 2.400 20 0 BEADMP C[C@H]1CC(C)(C)C[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000334853326 386904708 /nfs/dbraw/zinc/90/47/08/386904708.db2.gz JWYZOBQIGWZKGN-AAEUAGOBSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CC(C)(C)C[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000334853327 386905195 /nfs/dbraw/zinc/90/51/95/386905195.db2.gz JWYZOBQIGWZKGN-DGCLKSJQSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CC(C)(C)C[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000334853329 386905274 /nfs/dbraw/zinc/90/52/74/386905274.db2.gz JWYZOBQIGWZKGN-YPMHNXCESA-N 2 1 210.365 2.106 20 0 BEADMP [NH3+]C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)C1CC1 ZINC000518933857 386939813 /nfs/dbraw/zinc/93/98/13/386939813.db2.gz DGFFDFWUFFKTOX-LBPRGKRZSA-N 2 1 240.297 2.451 20 0 BEADMP C[C@H]1CC[C@@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC000334890105 386962384 /nfs/dbraw/zinc/96/23/84/386962384.db2.gz MSJUVDAKKWLQKF-UONOGXRCSA-N 2 1 233.359 2.395 20 0 BEADMP C[NH+](C)C1CC[NH+](CCCCCF)CC1 ZINC000341832401 386970449 /nfs/dbraw/zinc/97/04/49/386970449.db2.gz AIEPVEXLAYDMOE-UHFFFAOYSA-N 2 1 216.344 2.152 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H]2SC)C1 ZINC000425358909 386975123 /nfs/dbraw/zinc/97/51/23/386975123.db2.gz RLZWXSJKVASKTL-FRRDWIJNSA-N 2 1 242.432 2.202 20 0 BEADMP CS[C@H]1CC[C@H]1[NH2+]CCC[N@@H+](C)C(C)C ZINC000425359395 386977097 /nfs/dbraw/zinc/97/70/97/386977097.db2.gz PXXPEUNPIYTMNL-NEPJUHHUSA-N 2 1 230.421 2.200 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2ccccc2)C1 ZINC000104411918 387005733 /nfs/dbraw/zinc/00/57/33/387005733.db2.gz AQAZVTBZQOGHRO-UONOGXRCSA-N 2 1 248.370 2.125 20 0 BEADMP CSc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107573397 387033264 /nfs/dbraw/zinc/03/32/64/387033264.db2.gz JTPLVJAWCJTQNP-BETUJISGSA-N 2 1 248.395 2.060 20 0 BEADMP CSc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107573397 387033269 /nfs/dbraw/zinc/03/32/69/387033269.db2.gz JTPLVJAWCJTQNP-BETUJISGSA-N 2 1 248.395 2.060 20 0 BEADMP COC[C@H](C)C[NH2+]CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000526118773 387034511 /nfs/dbraw/zinc/03/45/11/387034511.db2.gz ORTBOEDMKQSVOH-MGPQQGTHSA-N 2 1 242.407 2.121 20 0 BEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000070074206 387044348 /nfs/dbraw/zinc/04/43/48/387044348.db2.gz ANRRTNRCUIFBLO-LBPRGKRZSA-N 2 1 236.334 2.387 20 0 BEADMP CCOc1cccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000126796063 387048883 /nfs/dbraw/zinc/04/88/83/387048883.db2.gz XULNXZAYXDGLLO-TZMCWYRMSA-N 2 1 248.370 2.254 20 0 BEADMP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000109347989 387054439 /nfs/dbraw/zinc/05/44/39/387054439.db2.gz HCMDVEMZFNJBRA-AWEZNQCLSA-N 2 1 248.370 2.127 20 0 BEADMP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000109347989 387054445 /nfs/dbraw/zinc/05/44/45/387054445.db2.gz HCMDVEMZFNJBRA-AWEZNQCLSA-N 2 1 248.370 2.127 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000126875852 387055887 /nfs/dbraw/zinc/05/58/87/387055887.db2.gz BPGOMUXXMHZNTA-OCCSQVGLSA-N 2 1 232.371 2.418 20 0 BEADMP CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185709270 387058865 /nfs/dbraw/zinc/05/88/65/387058865.db2.gz AGFMLAUXFKWXCB-RYUDHWBXSA-N 2 1 210.365 2.249 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1F ZINC000126836494 387059165 /nfs/dbraw/zinc/05/91/65/387059165.db2.gz MQTZHKYWUQRDSI-DGCLKSJQSA-N 2 1 236.334 2.303 20 0 BEADMP CCOc1ccccc1C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000110442775 387061607 /nfs/dbraw/zinc/06/16/07/387061607.db2.gz NMMXVIDYSZAWSI-CYBMUJFWSA-N 2 1 248.370 2.127 20 0 BEADMP CCOc1ccccc1C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000110442775 387061612 /nfs/dbraw/zinc/06/16/12/387061612.db2.gz NMMXVIDYSZAWSI-CYBMUJFWSA-N 2 1 248.370 2.127 20 0 BEADMP CC[C@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000070613873 387070582 /nfs/dbraw/zinc/07/05/82/387070582.db2.gz VCLMMGRARILWOS-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@H](C[NH2+]C)C2)cc1 ZINC000071142125 387095102 /nfs/dbraw/zinc/09/51/02/387095102.db2.gz FHWKHJVKNKIZQE-OAHLLOKOSA-N 2 1 232.371 2.290 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1F ZINC000335025966 387118178 /nfs/dbraw/zinc/11/81/78/387118178.db2.gz WZEBEAYWHHUEGI-OLZOCXBDSA-N 2 1 222.307 2.104 20 0 BEADMP C[N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000113712689 387119790 /nfs/dbraw/zinc/11/97/90/387119790.db2.gz XPHPALXWUBCYHP-AWEZNQCLSA-N 2 1 236.334 2.400 20 0 BEADMP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000250639621 387120793 /nfs/dbraw/zinc/12/07/93/387120793.db2.gz WGAVVGBFHSRTLX-TZMCWYRMSA-N 2 1 248.370 2.254 20 0 BEADMP Cc1cc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc(C)n1 ZINC000335029636 387125084 /nfs/dbraw/zinc/12/50/84/387125084.db2.gz OCYOWHVWMSYHOB-CABCVRRESA-N 2 1 247.386 2.448 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)s1 ZINC000423325056 387143301 /nfs/dbraw/zinc/14/33/01/387143301.db2.gz PWNOGFSSEKWNFV-MWLCHTKSSA-N 2 1 224.373 2.444 20 0 BEADMP C[C@H](F)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353152869 387144716 /nfs/dbraw/zinc/14/47/16/387144716.db2.gz JIGMYRSTGGQOEQ-ACJTYDJDSA-N 2 1 228.355 2.292 20 0 BEADMP C[C@H](F)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353152869 387144719 /nfs/dbraw/zinc/14/47/19/387144719.db2.gz JIGMYRSTGGQOEQ-ACJTYDJDSA-N 2 1 228.355 2.292 20 0 BEADMP C[C@H](F)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353152869 387144723 /nfs/dbraw/zinc/14/47/23/387144723.db2.gz JIGMYRSTGGQOEQ-ACJTYDJDSA-N 2 1 228.355 2.292 20 0 BEADMP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)c(C)c1 ZINC000423310395 387145208 /nfs/dbraw/zinc/14/52/08/387145208.db2.gz AGBDJPXRLJLEQB-XHDPSFHLSA-N 2 1 248.370 2.392 20 0 BEADMP C[C@H](F)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000352402822 387147697 /nfs/dbraw/zinc/14/76/97/387147697.db2.gz QBWYJLQYHDSWQV-RYUDHWBXSA-N 2 1 216.344 2.151 20 0 BEADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]([NH3+])C1CC1)CC2 ZINC000423313173 387151929 /nfs/dbraw/zinc/15/19/29/387151929.db2.gz FGKBUYCCJIEJPF-LSDHHAIUSA-N 2 1 246.354 2.009 20 0 BEADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1nccc2ccccc21 ZINC000423314217 387153775 /nfs/dbraw/zinc/15/37/75/387153775.db2.gz GVKXJULSNVGPBE-NSHDSACASA-N 2 1 241.338 2.105 20 0 BEADMP Cc1cc([C@@H](C)[NH2+][C@H](C)C[NH3+])cc(C)c1F ZINC000423316902 387156650 /nfs/dbraw/zinc/15/66/50/387156650.db2.gz BPFMSWGBTWMINK-GHMZBOCLSA-N 2 1 224.323 2.440 20 0 BEADMP Cc1cccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000423315922 387157688 /nfs/dbraw/zinc/15/76/88/387157688.db2.gz JHHQDNLHMPKVJY-SMDDNHRTSA-N 2 1 218.344 2.383 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000423319356 387159454 /nfs/dbraw/zinc/15/94/54/387159454.db2.gz FKMJXBASKPGZDR-BDAKNGLRSA-N 2 1 244.285 2.286 20 0 BEADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423321175 387160864 /nfs/dbraw/zinc/16/08/64/387160864.db2.gz MXCGIRRGUXISMY-ZWZTZDBGSA-N 2 1 248.345 2.386 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000423323031 387164247 /nfs/dbraw/zinc/16/42/47/387164247.db2.gz JEZPHKHHPRKXEF-IMSIIYSGSA-N 2 1 236.334 2.386 20 0 BEADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cncs1 ZINC000423328842 387170258 /nfs/dbraw/zinc/17/02/58/387170258.db2.gz MFRLUZQWNASLHI-JQWIXIFHSA-N 2 1 239.388 2.183 20 0 BEADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cncs1 ZINC000423328843 387171208 /nfs/dbraw/zinc/17/12/08/387171208.db2.gz MFRLUZQWNASLHI-PWSUYJOCSA-N 2 1 239.388 2.183 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(F)cc1 ZINC000423328806 387171854 /nfs/dbraw/zinc/17/18/54/387171854.db2.gz SKVLEQHGTOPKBE-NOZJJQNGSA-N 2 1 222.307 2.214 20 0 BEADMP Cc1cc(C)cc([C@@H](C)[NH2+][C@H](C)C[NH3+])c1 ZINC000423329763 387172658 /nfs/dbraw/zinc/17/26/58/387172658.db2.gz OWNABSGZVWGUTQ-VXGBXAGGSA-N 2 1 206.333 2.301 20 0 BEADMP CCC(CC)[N@@H+](CCOC)C[C@@]1(C)CC[NH2+]C1 ZINC000062911980 387172826 /nfs/dbraw/zinc/17/28/26/387172826.db2.gz BHVVYSQNJNDHRA-AWEZNQCLSA-N 2 1 242.407 2.123 20 0 BEADMP Cc1c[nH+]ccc1NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000359835368 387173034 /nfs/dbraw/zinc/17/30/34/387173034.db2.gz JKRYCIIZJIHIFA-CQSZACIVSA-N 2 1 247.386 2.344 20 0 BEADMP CCO[C@H]1C[C@@H]([NH2+][C@H](C)C[NH3+])C12CCCCC2 ZINC000423329560 387173142 /nfs/dbraw/zinc/17/31/42/387173142.db2.gz OSELUCJGJXTKJE-UPJWGTAASA-N 2 1 240.391 2.051 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+](C)CCCc2c[nH+]cn2C)C1 ZINC000571891782 387193521 /nfs/dbraw/zinc/19/35/21/387193521.db2.gz BFSQSCYPAYJQQR-OLZOCXBDSA-N 2 1 235.375 2.473 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+](C)CCCc2c[nH+]cn2C)C1 ZINC000571891782 387193526 /nfs/dbraw/zinc/19/35/26/387193526.db2.gz BFSQSCYPAYJQQR-OLZOCXBDSA-N 2 1 235.375 2.473 20 0 BEADMP Cc1ccncc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250864918 387175330 /nfs/dbraw/zinc/17/53/30/387175330.db2.gz GFJFARDDSRPUKF-CABCVRRESA-N 2 1 245.370 2.106 20 0 BEADMP Cc1ccncc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250864918 387175335 /nfs/dbraw/zinc/17/53/35/387175335.db2.gz GFJFARDDSRPUKF-CABCVRRESA-N 2 1 245.370 2.106 20 0 BEADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1cccs1 ZINC000423330705 387176621 /nfs/dbraw/zinc/17/66/21/387176621.db2.gz PTGXRLKYIPKIER-VIFPVBQESA-N 2 1 210.346 2.280 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000423331281 387176783 /nfs/dbraw/zinc/17/67/83/387176783.db2.gz QARNTNGNXSYQTE-MBNYWOFBSA-N 2 1 233.359 2.045 20 0 BEADMP CCC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccc(OC)cc1 ZINC000423331961 387178947 /nfs/dbraw/zinc/17/89/47/387178947.db2.gz QLQWLAJQXQUGOY-BXUZGUMPSA-N 2 1 236.359 2.473 20 0 BEADMP CCCOc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423337725 387186551 /nfs/dbraw/zinc/18/65/51/387186551.db2.gz VJMJNXAZTYXRPF-VXGBXAGGSA-N 2 1 236.359 2.473 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000423340818 387191041 /nfs/dbraw/zinc/19/10/41/387191041.db2.gz XLVUOSKJCKBJOT-NXEZZACHSA-N 2 1 242.313 2.223 20 0 BEADMP Cc1ccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cn1 ZINC000228859933 387135344 /nfs/dbraw/zinc/13/53/44/387135344.db2.gz NQKDPGXJEONEIG-AWEZNQCLSA-N 2 1 235.375 2.195 20 0 BEADMP Cc1ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cn1 ZINC000228859933 387135347 /nfs/dbraw/zinc/13/53/47/387135347.db2.gz NQKDPGXJEONEIG-AWEZNQCLSA-N 2 1 235.375 2.195 20 0 BEADMP FCCC[C@H]1CCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423302743 387135738 /nfs/dbraw/zinc/13/57/38/387135738.db2.gz KFPNQBQZAQQYRB-AGIUHOORSA-N 2 1 228.355 2.246 20 0 BEADMP FCCC[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423356740 387208226 /nfs/dbraw/zinc/20/82/26/387208226.db2.gz KFPNQBQZAQQYRB-JHJVBQTASA-N 2 1 228.355 2.246 20 0 BEADMP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+][C@@H](C)C[NH3+] ZINC000423367526 387217561 /nfs/dbraw/zinc/21/75/61/387217561.db2.gz MRGKYIGINCQNRE-GMXVVIOVSA-N 2 1 218.344 2.480 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000423369273 387220582 /nfs/dbraw/zinc/22/05/82/387220582.db2.gz OAKSTQRNDXNQNM-IACUBPJLSA-N 2 1 218.344 2.260 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000423370001 387224218 /nfs/dbraw/zinc/22/42/18/387224218.db2.gz TZFIRTSJEBYFKI-AGIUHOORSA-N 2 1 222.376 2.297 20 0 BEADMP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H](C)C[NH3+])c1 ZINC000423369823 387224423 /nfs/dbraw/zinc/22/44/23/387224423.db2.gz OWNABSGZVWGUTQ-NWDGAFQWSA-N 2 1 206.333 2.301 20 0 BEADMP CC(C)[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C[NH3+] ZINC000423369773 387224563 /nfs/dbraw/zinc/22/45/63/387224563.db2.gz OOWQZUBVTBXAKC-GXTWGEPZSA-N 2 1 220.360 2.191 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]21 ZINC000230048671 387229126 /nfs/dbraw/zinc/22/91/26/387229126.db2.gz WBTDBTBXAMNBMC-VHDGCEQUSA-N 2 1 248.345 2.385 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)o1 ZINC000423373688 387229795 /nfs/dbraw/zinc/22/97/95/387229795.db2.gz JIYQQHNBOIVZJX-ZMLRMANQSA-N 2 1 222.332 2.379 20 0 BEADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccco1 ZINC000423373292 387230305 /nfs/dbraw/zinc/23/03/05/387230305.db2.gz WNAFRTFEIUJTNN-WDEREUQCSA-N 2 1 208.305 2.072 20 0 BEADMP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H](C)C[NH3+] ZINC000423408419 387243539 /nfs/dbraw/zinc/24/35/39/387243539.db2.gz XLVUOSKJCKBJOT-ZJUUUORDSA-N 2 1 242.313 2.223 20 0 BEADMP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423409721 387245486 /nfs/dbraw/zinc/24/54/86/387245486.db2.gz ZBPUVVLANGQORM-MBNYWOFBSA-N 2 1 247.386 2.293 20 0 BEADMP CCc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)o1 ZINC000423409748 387246080 /nfs/dbraw/zinc/24/60/80/387246080.db2.gz ZDLLFFFFKMQFTJ-MDZLAQPJSA-N 2 1 236.359 2.491 20 0 BEADMP CCc1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423420046 387247906 /nfs/dbraw/zinc/24/79/06/387247906.db2.gz BMDNOLAECABQMF-RABLLNBGSA-N 2 1 230.355 2.117 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2c1cccc2C ZINC000423462645 387310350 /nfs/dbraw/zinc/31/03/50/387310350.db2.gz KXURSSDJWFTFHS-RISCZKNCSA-N 2 1 218.344 2.309 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2c1cccc2C ZINC000423462644 387310451 /nfs/dbraw/zinc/31/04/51/387310451.db2.gz KXURSSDJWFTFHS-FZMZJTMJSA-N 2 1 218.344 2.309 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000423463689 387313559 /nfs/dbraw/zinc/31/35/59/387313559.db2.gz LMYQMOZVGUMEBK-DUFXMDAXSA-N 2 1 236.334 2.386 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCCNc2ccccc21 ZINC000423470280 387316429 /nfs/dbraw/zinc/31/64/29/387316429.db2.gz PCXPBYWFTKZUHK-FZMZJTMJSA-N 2 1 233.359 2.260 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000423376277 387256376 /nfs/dbraw/zinc/25/63/76/387256376.db2.gz URZBGRRHZTZXKT-ZANVPECISA-N 2 1 222.307 2.140 20 0 BEADMP COC[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)C(C)C ZINC000423378336 387260778 /nfs/dbraw/zinc/26/07/78/387260778.db2.gz FRKNUNVXGGYUAJ-CHWSQXEVSA-N 2 1 242.407 2.025 20 0 BEADMP Cc1ccncc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423380301 387262719 /nfs/dbraw/zinc/26/27/19/387262719.db2.gz NSKCPINZBOMLJV-RWMBFGLXSA-N 2 1 233.359 2.181 20 0 BEADMP COc1ccccc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423386748 387272367 /nfs/dbraw/zinc/27/23/67/387272367.db2.gz ROSNDGGNVRIKSP-AGIUHOORSA-N 2 1 248.370 2.486 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000423440292 387289612 /nfs/dbraw/zinc/28/96/12/387289612.db2.gz IKHGBIBZKSTULI-RVBZMBCESA-N 2 1 222.307 2.138 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000423440079 387291023 /nfs/dbraw/zinc/29/10/23/387291023.db2.gz AKSVCCJNACQXET-KOLCDFICSA-N 2 1 240.322 2.222 20 0 BEADMP Clc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423440078 387291452 /nfs/dbraw/zinc/29/14/52/387291452.db2.gz SWXLHMXVKUYLFX-RQJABVFESA-N 2 1 248.757 2.135 20 0 BEADMP COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000423444326 387294873 /nfs/dbraw/zinc/29/48/73/387294873.db2.gz LQJNOSZLFLLFDU-BREBYQMCSA-N 2 1 234.343 2.008 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCCOc2ccccc21)[C@H](C)[NH3+] ZINC000423451462 387299370 /nfs/dbraw/zinc/29/93/70/387299370.db2.gz VDXJYBAMJOOLPJ-DMDPSCGWSA-N 2 1 234.343 2.226 20 0 BEADMP Cc1ccsc1[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000423450355 387299638 /nfs/dbraw/zinc/29/96/38/387299638.db2.gz SRQSWFRVOPYZCF-AEJSXWLSSA-N 2 1 212.362 2.443 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1C[C@H]1C ZINC000321768442 387302039 /nfs/dbraw/zinc/30/20/39/387302039.db2.gz DXLMGEWOTBGLPA-BNDIWNMDSA-N 2 1 210.365 2.103 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1C[C@H]1C ZINC000321768442 387302044 /nfs/dbraw/zinc/30/20/44/387302044.db2.gz DXLMGEWOTBGLPA-BNDIWNMDSA-N 2 1 210.365 2.103 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2c1cccc2OC ZINC000423455211 387302687 /nfs/dbraw/zinc/30/26/87/387302687.db2.gz BZYPJYJNCHXJMG-ZWNOBZJWSA-N 2 1 234.343 2.009 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000423456588 387303451 /nfs/dbraw/zinc/30/34/51/387303451.db2.gz DRRWBJXDYPQJHY-BXKDBHETSA-N 2 1 210.296 2.214 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2c1cccc2F ZINC000423456106 387303995 /nfs/dbraw/zinc/30/39/95/387303995.db2.gz DEYMDEIHPOPXHA-TVQRCGJNSA-N 2 1 222.307 2.140 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1sccc1C ZINC000423456869 387304292 /nfs/dbraw/zinc/30/42/92/387304292.db2.gz DVHRYAXNBAMWHE-UWVGGRQHSA-N 2 1 212.362 2.444 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000423461021 387307924 /nfs/dbraw/zinc/30/79/24/387307924.db2.gz JFVSBUYPYVSPLS-TZMCWYRMSA-N 2 1 218.344 2.309 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000423461479 387308818 /nfs/dbraw/zinc/30/88/18/387308818.db2.gz JROGTFGCBCJKNT-KWCYVHTRSA-N 2 1 236.359 2.090 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000423461020 387309161 /nfs/dbraw/zinc/30/91/61/387309161.db2.gz JFVSBUYPYVSPLS-OCCSQVGLSA-N 2 1 218.344 2.309 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C1CCSCC1 ZINC000643501802 387355063 /nfs/dbraw/zinc/35/50/63/387355063.db2.gz QCNRMVBHKAPJFW-YPMHNXCESA-N 2 1 242.432 2.250 20 0 BEADMP Cc1cccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000423524150 387355007 /nfs/dbraw/zinc/35/50/07/387355007.db2.gz SMLWICOAGQLZMR-UKRRQHHQSA-N 2 1 248.370 2.024 20 0 BEADMP Cc1cccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000423524148 387355134 /nfs/dbraw/zinc/35/51/34/387355134.db2.gz SMLWICOAGQLZMR-DZGCQCFKSA-N 2 1 248.370 2.024 20 0 BEADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cncc(F)c1 ZINC000423523211 387356525 /nfs/dbraw/zinc/35/65/25/387356525.db2.gz IDBPHWRIAJYWJX-SNVBAGLBSA-N 2 1 237.322 2.013 20 0 BEADMP C([NH2+][C@@H]1CC[C@H]1C1CCC1)[C@H]1CCCC[NH2+]1 ZINC000643502742 387362709 /nfs/dbraw/zinc/36/27/09/387362709.db2.gz OYQTZUBJNWCWQZ-HZSPNIEDSA-N 2 1 222.376 2.297 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2ccccc21 ZINC000423481474 387364040 /nfs/dbraw/zinc/36/40/40/387364040.db2.gz WTESXJWQWRYWOF-AAEUAGOBSA-N 2 1 204.317 2.001 20 0 BEADMP CC[C@H]1C[C@@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)CCO1 ZINC000648591541 387364972 /nfs/dbraw/zinc/36/49/72/387364972.db2.gz CFHZLLANZGWQEZ-RDBSUJKOSA-N 2 1 242.407 2.262 20 0 BEADMP CC[C@H]1C[C@@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)CCO1 ZINC000648591541 387364975 /nfs/dbraw/zinc/36/49/75/387364975.db2.gz CFHZLLANZGWQEZ-RDBSUJKOSA-N 2 1 242.407 2.262 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCC23CCC3)C1 ZINC000390434504 387327252 /nfs/dbraw/zinc/32/72/52/387327252.db2.gz RIBXNODXNWHORH-STQMWFEESA-N 2 1 222.376 2.251 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C2CC2)C1 ZINC000372804137 387328885 /nfs/dbraw/zinc/32/88/85/387328885.db2.gz FCLMTGTURVWWRY-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1C[C@H]1C ZINC000321951513 387329707 /nfs/dbraw/zinc/32/97/07/387329707.db2.gz WXPPKSGZQDMQBF-XBFCOCLRSA-N 2 1 222.376 2.273 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000423484565 387331440 /nfs/dbraw/zinc/33/14/40/387331440.db2.gz YPCSRQUIAQIQGV-IUODEOHRSA-N 2 1 248.370 2.400 20 0 BEADMP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CC[C@H](C)O2)CC1 ZINC000188545941 134527462 /nfs/dbraw/zinc/52/74/62/134527462.db2.gz QVORCHNMOLNRGF-JSGCOSHPSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H](c1cccnc1)C(C)C ZINC000423485980 387332456 /nfs/dbraw/zinc/33/24/56/387332456.db2.gz ZHVRTQDBTBORJI-QWHCGFSZSA-N 2 1 221.348 2.106 20 0 BEADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[Si](C)(C)C)CC1 ZINC000372988116 387339415 /nfs/dbraw/zinc/33/94/15/387339415.db2.gz BMFQYQCSAGHPSD-GFCCVEGCSA-N 2 1 228.456 2.280 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000354178725 387341600 /nfs/dbraw/zinc/34/16/00/387341600.db2.gz XQLVYIOZKBFTPA-HZSPNIEDSA-N 2 1 222.376 2.060 20 0 BEADMP C[C@@H]1C[C@H]1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000354178725 387341604 /nfs/dbraw/zinc/34/16/04/387341604.db2.gz XQLVYIOZKBFTPA-HZSPNIEDSA-N 2 1 222.376 2.060 20 0 BEADMP C[C@@H]1C[C@H]1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000354178725 387341608 /nfs/dbraw/zinc/34/16/08/387341608.db2.gz XQLVYIOZKBFTPA-HZSPNIEDSA-N 2 1 222.376 2.060 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@H]1C[C@H]1C ZINC000423508658 387344874 /nfs/dbraw/zinc/34/48/74/387344874.db2.gz IXDRIYIRGYOQKA-ZLTXHLNPSA-N 2 1 244.382 2.376 20 0 BEADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccnc1 ZINC000423516549 387350628 /nfs/dbraw/zinc/35/06/28/387350628.db2.gz YBCPZVWKQGRNNT-BXUZGUMPSA-N 2 1 233.359 2.250 20 0 BEADMP C[C@@H](Cc1ccoc1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423518747 387353232 /nfs/dbraw/zinc/35/32/32/387353232.db2.gz ZRKOGZUNLVFRIU-SMDDNHRTSA-N 2 1 236.359 2.318 20 0 BEADMP C[NH+]1CCC([NH2+]C2CC(OC(C)(C)C)C2)CC1 ZINC000352699518 387441942 /nfs/dbraw/zinc/44/19/42/387441942.db2.gz AGTNVCMMNVWKGI-UHFFFAOYSA-N 2 1 240.391 2.016 20 0 BEADMP CC1(C)CCC[C@@H]([NH2+]CC[NH2+]C2CC2)C1 ZINC000643506682 387462382 /nfs/dbraw/zinc/46/23/82/387462382.db2.gz FTWIFLOPJOMXSL-GFCCVEGCSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]([NH2+]CC[NH2+]C1CC1)C1CCCCC1 ZINC000643506346 387459035 /nfs/dbraw/zinc/45/90/35/387459035.db2.gz SMGBUGVBKLMLAY-LLVKDONJSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@H](CCc1ccccc1)[NH2+]CC[NH2+]C1CC1 ZINC000643506362 387460317 /nfs/dbraw/zinc/46/03/17/387460317.db2.gz TYXHCTKNQIHZKH-CYBMUJFWSA-N 2 1 232.371 2.349 20 0 BEADMP C[C@@H](CCc1ccccc1)[NH2+]CC[NH2+]C1CC1 ZINC000643506363 387460527 /nfs/dbraw/zinc/46/05/27/387460527.db2.gz TYXHCTKNQIHZKH-ZDUSSCGKSA-N 2 1 232.371 2.349 20 0 BEADMP CC[C@]1(O)CC[N@@H+](CCCc2ccc(C)nc2)C1 ZINC000354632592 387406520 /nfs/dbraw/zinc/40/65/20/387406520.db2.gz HHADAWHATYEJCP-HNNXBMFYSA-N 2 1 248.370 2.169 20 0 BEADMP C[C@@H]1CC[N@@H+](CC2(F)CC2)C[C@H]1n1ccnc1 ZINC000527220057 387536882 /nfs/dbraw/zinc/53/68/82/387536882.db2.gz RQXBENSFSZHNFW-VXGBXAGGSA-N 2 1 237.322 2.268 20 0 BEADMP CC(C)CC[N@@H+]1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000310295709 387538020 /nfs/dbraw/zinc/53/80/20/387538020.db2.gz LPKUXBIDYYCYJH-CABCVRRESA-N 2 1 232.371 2.459 20 0 BEADMP CC(C)CC[N@H+]1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000310295709 387538022 /nfs/dbraw/zinc/53/80/22/387538022.db2.gz LPKUXBIDYYCYJH-CABCVRRESA-N 2 1 232.371 2.459 20 0 BEADMP CCc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cn1 ZINC000352772776 387473448 /nfs/dbraw/zinc/47/34/48/387473448.db2.gz RTKFKJNZWVBHCX-UHFFFAOYSA-N 2 1 249.402 2.464 20 0 BEADMP CCc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cn1 ZINC000352772776 387473453 /nfs/dbraw/zinc/47/34/53/387473453.db2.gz RTKFKJNZWVBHCX-UHFFFAOYSA-N 2 1 249.402 2.464 20 0 BEADMP CC[C@@H]([NH2+]CC[NH2+]C1CC1)C1CCCC1 ZINC000643507660 387479015 /nfs/dbraw/zinc/47/90/15/387479015.db2.gz MAEZGRZDTVIOLR-CYBMUJFWSA-N 2 1 210.365 2.297 20 0 BEADMP CCC[C@H]([NH2+]CC[NH2+]C1CC1)C1CCC1 ZINC000643507851 387480655 /nfs/dbraw/zinc/48/06/55/387480655.db2.gz RPNOWNLTTWKDNY-ZDUSSCGKSA-N 2 1 210.365 2.297 20 0 BEADMP FCCC[C@H]1CCC[C@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507987 387481836 /nfs/dbraw/zinc/48/18/36/387481836.db2.gz YIZSMQPTKZRPLW-DGCLKSJQSA-N 2 1 228.355 2.246 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CC[NH2+]C2CC2)C[C@H]1C ZINC000643507450 387486209 /nfs/dbraw/zinc/48/62/09/387486209.db2.gz DVVLDBBQSBMIOM-NQBHXWOUSA-N 2 1 210.365 2.153 20 0 BEADMP Cc1ncc([C@H](C)[NH2+]CCC[NH2+]C(C)C)s1 ZINC000643508286 387488346 /nfs/dbraw/zinc/48/83/46/387488346.db2.gz CFVHAICZLMWSEL-JTQLQIEISA-N 2 1 241.404 2.490 20 0 BEADMP CC(C)C[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000396780030 387493037 /nfs/dbraw/zinc/49/30/37/387493037.db2.gz URZICZSHJUQPIL-UONOGXRCSA-N 2 1 224.392 2.497 20 0 BEADMP CCCC[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000337043372 387586573 /nfs/dbraw/zinc/58/65/73/387586573.db2.gz CVEFKETZJLARFP-CABCVRRESA-N 2 1 232.371 2.461 20 0 BEADMP CC(C)CCOCC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000123714552 387592213 /nfs/dbraw/zinc/59/22/13/387592213.db2.gz PMBRDIZWIGOCPB-CQSZACIVSA-N 2 1 244.423 2.354 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]CC2(F)CC2)C1 ZINC000527514374 387592621 /nfs/dbraw/zinc/59/26/21/387592621.db2.gz HRWPOPPVXNOIPY-BETUJISGSA-N 2 1 242.382 2.446 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]CC2(F)CC2)C1 ZINC000527514374 387592627 /nfs/dbraw/zinc/59/26/27/387592627.db2.gz HRWPOPPVXNOIPY-BETUJISGSA-N 2 1 242.382 2.446 20 0 BEADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]CC2(F)CC2)C1 ZINC000527514375 387593040 /nfs/dbraw/zinc/59/30/40/387593040.db2.gz HRWPOPPVXNOIPY-CHWSQXEVSA-N 2 1 242.382 2.446 20 0 BEADMP CC[C@@H](COC)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000376023747 387602782 /nfs/dbraw/zinc/60/27/82/387602782.db2.gz ZQSXNVUWHQPCHI-HSBZDZAISA-N 2 1 240.391 2.018 20 0 BEADMP Cc1csc([C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+])n1 ZINC000422707375 387620379 /nfs/dbraw/zinc/62/03/79/387620379.db2.gz WMVDOQIWHGKTQB-MRTMQBJTSA-N 2 1 227.377 2.228 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)c(C)n1 ZINC000643516380 387623614 /nfs/dbraw/zinc/62/36/14/387623614.db2.gz NBSLATPGHVALAK-HZMBPMFUSA-N 2 1 233.359 2.086 20 0 BEADMP Cc1ccc(CC[NH2+][C@](C)(C[NH3+])C2CC2)cc1 ZINC000430583558 387629679 /nfs/dbraw/zinc/62/96/79/387629679.db2.gz MZDSARUHOQEBTI-OAHLLOKOSA-N 2 1 232.371 2.255 20 0 BEADMP CCc1ccc(CC[N@@H+]2CCC[C@H]2C[NH2+]C)cc1 ZINC000430547108 387627325 /nfs/dbraw/zinc/62/73/25/387627325.db2.gz SYBVENCCRBGJFL-INIZCTEOSA-N 2 1 246.398 2.475 20 0 BEADMP CCc1ccc(CC[N@H+]2CCC[C@H]2C[NH2+]C)cc1 ZINC000430547108 387627328 /nfs/dbraw/zinc/62/73/28/387627328.db2.gz SYBVENCCRBGJFL-INIZCTEOSA-N 2 1 246.398 2.475 20 0 BEADMP C[C@@](C[NH3+])([NH2+]CCCOc1ccccc1)C1CC1 ZINC000430581176 387630528 /nfs/dbraw/zinc/63/05/28/387630528.db2.gz SWDDLYYOMZHCNJ-HNNXBMFYSA-N 2 1 248.370 2.173 20 0 BEADMP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC([NH3+])CC1 ZINC000430630991 387633868 /nfs/dbraw/zinc/63/38/68/387633868.db2.gz SNLONNPIEDUGGN-OCCSQVGLSA-N 2 1 240.391 2.005 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000356254202 387634416 /nfs/dbraw/zinc/63/44/16/387634416.db2.gz HHKFCHBXIWPNMY-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000356254202 387634418 /nfs/dbraw/zinc/63/44/18/387634418.db2.gz HHKFCHBXIWPNMY-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1ccco1 ZINC000124927588 387636793 /nfs/dbraw/zinc/63/67/93/387636793.db2.gz OBOZOYMBMHRPLH-UHFFFAOYSA-N 2 1 245.326 2.073 20 0 BEADMP CC(C)C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422730219 387638239 /nfs/dbraw/zinc/63/82/39/387638239.db2.gz JHJSMYNCAOHFPI-GXTWGEPZSA-N 2 1 220.360 2.191 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000527632673 387642800 /nfs/dbraw/zinc/64/28/00/387642800.db2.gz UEMLCQSOZRTUET-UGFHNGPFSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(F)ccc1F ZINC000422736874 387645068 /nfs/dbraw/zinc/64/50/68/387645068.db2.gz HFRGOLYRGZEGBR-DTWKUNHWSA-N 2 1 228.286 2.180 20 0 BEADMP Cc1cc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)ccn1 ZINC000527639385 387647916 /nfs/dbraw/zinc/64/79/16/387647916.db2.gz BNJJDFIPSHAQGW-ZDUSSCGKSA-N 2 1 247.386 2.212 20 0 BEADMP C[C@H](C[C@H](C)[NH3+])NC[C@@H](c1ccccc1)[NH+](C)C ZINC000422750976 387655339 /nfs/dbraw/zinc/65/53/39/387655339.db2.gz FCFPTKOTCWOYCF-GUTXKFCHSA-N 2 1 249.402 2.005 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527651255 387660643 /nfs/dbraw/zinc/66/06/43/387660643.db2.gz UZZDHEXOYLRVED-SWHYSGLUSA-N 2 1 233.359 2.216 20 0 BEADMP C[C@@H](CCC[NH3+])[NH2+][C@H](CCN(C)C)C(C)(C)C ZINC000422760058 387663394 /nfs/dbraw/zinc/66/33/94/387663394.db2.gz LMISRIDRBMPSST-QWHCGFSZSA-N 2 1 243.439 2.070 20 0 BEADMP C[C@@H](CCC[NH3+])[NH2+][C@@H](CCN(C)C)C(C)(C)C ZINC000422760059 387663703 /nfs/dbraw/zinc/66/37/03/387663703.db2.gz LMISRIDRBMPSST-STQMWFEESA-N 2 1 243.439 2.070 20 0 BEADMP CS[C@@H]1CCC[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422765322 387666708 /nfs/dbraw/zinc/66/67/08/387666708.db2.gz QUNNGYQJEJTONA-RVMXOQNASA-N 2 1 242.432 2.248 20 0 BEADMP C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)[C@@H]1C[C@H]1C1CC1 ZINC000527714007 387669940 /nfs/dbraw/zinc/66/99/40/387669940.db2.gz YDJWVYMNYCHPOS-BQUFFADESA-N 2 1 245.370 2.291 20 0 BEADMP CCSCC[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000377126584 387693646 /nfs/dbraw/zinc/69/36/46/387693646.db2.gz KJTVNKQYZBMLQC-QWHCGFSZSA-N 2 1 242.432 2.156 20 0 BEADMP CCSCC[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000377126584 387693652 /nfs/dbraw/zinc/69/36/52/387693652.db2.gz KJTVNKQYZBMLQC-QWHCGFSZSA-N 2 1 242.432 2.156 20 0 BEADMP CCSCC[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000377126584 387693658 /nfs/dbraw/zinc/69/36/58/387693658.db2.gz KJTVNKQYZBMLQC-QWHCGFSZSA-N 2 1 242.432 2.156 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cccnc32)CC[NH2+]1 ZINC000643526174 387748522 /nfs/dbraw/zinc/74/85/22/387748522.db2.gz RUDCHOOVYGMSGO-MRVWCRGKSA-N 2 1 245.370 2.189 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(C)cc1 ZINC000643526253 387748541 /nfs/dbraw/zinc/74/85/41/387748541.db2.gz WLSUMWMMBZDOSE-DGCLKSJQSA-N 2 1 206.333 2.383 20 0 BEADMP CC[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(F)cc1 ZINC000643526211 387748665 /nfs/dbraw/zinc/74/86/65/387748665.db2.gz URGITXVWXBSARK-JOYOIKCWSA-N 2 1 210.296 2.214 20 0 BEADMP CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643526156 387749290 /nfs/dbraw/zinc/74/92/90/387749290.db2.gz RAABQHOYDVTECX-MNOVXSKESA-N 2 1 222.332 2.083 20 0 BEADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cccc(OC(F)F)c1 ZINC000643526299 387749614 /nfs/dbraw/zinc/74/96/14/387749614.db2.gz XXTTWOFHZXPKDK-DTWKUNHWSA-N 2 1 244.285 2.286 20 0 BEADMP Cc1cc([C@@H](C)[NH2+]C[C@H](C)[NH3+])c(C)s1 ZINC000643526333 387750130 /nfs/dbraw/zinc/75/01/30/387750130.db2.gz ZVVHNWZJWZURQO-IONNQARKSA-N 2 1 212.362 2.363 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000128575800 387750517 /nfs/dbraw/zinc/75/05/17/387750517.db2.gz BFUFXEOXHDCMMA-HNNXBMFYSA-N 2 1 248.345 2.497 20 0 BEADMP CCc1noc(CC)c1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422869655 387750624 /nfs/dbraw/zinc/75/06/24/387750624.db2.gz WOHWLPWXEXZXTF-ZJUUUORDSA-N 2 1 239.363 2.015 20 0 BEADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H](C)[NH3+] ZINC000643525724 387753222 /nfs/dbraw/zinc/75/32/22/387753222.db2.gz CRTFKENDBAAZKR-IINYFYTJSA-N 2 1 234.343 2.009 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@@H]1CC12CC2 ZINC000527851688 387754096 /nfs/dbraw/zinc/75/40/96/387754096.db2.gz QYEGPILHHWKHIE-AAEUAGOBSA-N 2 1 233.359 2.360 20 0 BEADMP C[C@H](CCc1ccco1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000643520936 387707087 /nfs/dbraw/zinc/70/70/87/387707087.db2.gz FZUZMWQFMGUXBG-OUCADQQQSA-N 2 1 236.359 2.188 20 0 BEADMP CO[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)C(C)(C)C ZINC000422813736 387712561 /nfs/dbraw/zinc/71/25/61/387712561.db2.gz SHSKBMYANXIAOY-FRRDWIJNSA-N 2 1 242.407 2.168 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@H]1CCCc2ccccc21 ZINC000643526113 387755627 /nfs/dbraw/zinc/75/56/27/387755627.db2.gz PNYXBUAEFYZKSV-GWCFXTLKSA-N 2 1 204.317 2.001 20 0 BEADMP CCOCc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422831969 387726481 /nfs/dbraw/zinc/72/64/81/387726481.db2.gz KMIMRVWONRHEPA-GJZGRUSLSA-N 2 1 248.370 2.193 20 0 BEADMP Cc1nccn1CC[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000528774098 387734197 /nfs/dbraw/zinc/73/41/97/387734197.db2.gz SZDPWWDOKUJXSW-SNVBAGLBSA-N 2 1 243.301 2.311 20 0 BEADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cscn1 ZINC000643524114 387735489 /nfs/dbraw/zinc/73/54/89/387735489.db2.gz KHAJQEQZQBKIPF-GUBZILKMSA-N 2 1 225.361 2.064 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@H]1CCCc2ccccc21 ZINC000643526115 387755895 /nfs/dbraw/zinc/75/58/95/387755895.db2.gz PNYXBUAEFYZKSV-MFKMUULPSA-N 2 1 204.317 2.001 20 0 BEADMP CCC1(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCC1 ZINC000422854315 387737301 /nfs/dbraw/zinc/73/73/01/387737301.db2.gz UCKZHHSWJSXYPP-VXGBXAGGSA-N 2 1 210.365 2.154 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CC12CC2 ZINC000527862166 387737685 /nfs/dbraw/zinc/73/76/85/387737685.db2.gz NKFANLPBBKSVMO-XQQFMLRXSA-N 2 1 222.376 2.106 20 0 BEADMP CCOc1cccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000422878756 387756009 /nfs/dbraw/zinc/75/60/09/387756009.db2.gz KOBJREQDIAOQJS-KBPBESRZSA-N 2 1 234.343 2.055 20 0 BEADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@H](C)[NH3+] ZINC000643527358 387762414 /nfs/dbraw/zinc/76/24/14/387762414.db2.gz LLPOAGUYJRWNQH-IINYFYTJSA-N 2 1 248.370 2.354 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000643528197 387766932 /nfs/dbraw/zinc/76/69/32/387766932.db2.gz FJEDJRUHGITRNZ-RNCFNFMXSA-N 2 1 222.307 2.214 20 0 BEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CC12CC2 ZINC000527877281 387767191 /nfs/dbraw/zinc/76/71/91/387767191.db2.gz UAZNILIGSXCKSY-WCQYABFASA-N 2 1 220.360 2.027 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000643528344 387768080 /nfs/dbraw/zinc/76/80/80/387768080.db2.gz HIIKFTHUNBIMKR-PRHODGIISA-N 2 1 224.735 2.264 20 0 BEADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])c1 ZINC000643528884 387771416 /nfs/dbraw/zinc/77/14/16/387771416.db2.gz QNVRBEYSLWEPBS-VXGBXAGGSA-N 2 1 206.333 2.301 20 0 BEADMP C[C@H]([NH2+]CCC(F)(F)F)c1c[nH+]ccc1N ZINC000422919574 387776189 /nfs/dbraw/zinc/77/61/89/387776189.db2.gz KBEAZTJUEZGVIP-ZETCQYMHSA-N 2 1 233.237 2.097 20 0 BEADMP CCC1(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CC1 ZINC000422922305 387778352 /nfs/dbraw/zinc/77/83/52/387778352.db2.gz SPBDAWUCXJQCHU-JTQLQIEISA-N 2 1 219.332 2.335 20 0 BEADMP C[C@H]([NH2+]CCCc1cccs1)[C@H]1CCC[NH2+]1 ZINC000643477658 387780351 /nfs/dbraw/zinc/78/03/51/387780351.db2.gz FRVFUVSHFSAOIW-WCQYABFASA-N 2 1 238.400 2.411 20 0 BEADMP CC(C)CC1(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422928839 387781644 /nfs/dbraw/zinc/78/16/44/387781644.db2.gz MYBAAUGKKXYXTB-STQMWFEESA-N 2 1 224.392 2.400 20 0 BEADMP COc1ccc(C2([NH2+]C3CC[NH2+]CC3)CC2)cc1 ZINC000422935118 387782876 /nfs/dbraw/zinc/78/28/76/387782876.db2.gz KRVMMGCMUFILLS-UHFFFAOYSA-N 2 1 246.354 2.026 20 0 BEADMP CC[C@H](C)C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432355719 387784445 /nfs/dbraw/zinc/78/44/45/387784445.db2.gz FRBJMOZQWFEERC-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP Cc1ccc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422980111 387790678 /nfs/dbraw/zinc/79/06/78/387790678.db2.gz KVNZMXPMZQQTPM-HIFRSBDPSA-N 2 1 232.371 2.268 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422980110 387791405 /nfs/dbraw/zinc/79/14/05/387791405.db2.gz KVNZMXPMZQQTPM-DZGCQCFKSA-N 2 1 232.371 2.268 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)[C@H]1CCC[NH2+]1 ZINC000422994604 387802909 /nfs/dbraw/zinc/80/29/09/387802909.db2.gz VWEOONVUFKEQAU-OUAUKWLOSA-N 2 1 232.318 2.294 20 0 BEADMP CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000527999755 387808097 /nfs/dbraw/zinc/80/80/97/387808097.db2.gz PNJQENJOMPWFCQ-FQUUOJAGSA-N 2 1 240.391 2.015 20 0 BEADMP CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000527999755 387808101 /nfs/dbraw/zinc/80/81/01/387808101.db2.gz PNJQENJOMPWFCQ-FQUUOJAGSA-N 2 1 240.391 2.015 20 0 BEADMP C[C@H]([NH2+]CCc1ccccc1O)[C@@H]1CCCC[NH2+]1 ZINC000422973465 387821539 /nfs/dbraw/zinc/82/15/39/387821539.db2.gz OTRMWNJIPGDDJK-JSGCOSHPSA-N 2 1 248.370 2.055 20 0 BEADMP C[C@@H]([NH2+]CCc1ccccc1O)[C@H]1CCCC[NH2+]1 ZINC000422973467 387822035 /nfs/dbraw/zinc/82/20/35/387822035.db2.gz OTRMWNJIPGDDJK-TZMCWYRMSA-N 2 1 248.370 2.055 20 0 BEADMP COCC(C)(C)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432815290 387827878 /nfs/dbraw/zinc/82/78/78/387827878.db2.gz FGQPPZDKXWEQDH-CYBMUJFWSA-N 2 1 242.407 2.075 20 0 BEADMP Cc1ccc(CC[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000442763711 387834105 /nfs/dbraw/zinc/83/41/05/387834105.db2.gz JBIZKZFUJNSJKW-UKRRQHHQSA-N 2 1 232.371 2.207 20 0 BEADMP CS[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)C(C)(C)C ZINC000423027836 387842669 /nfs/dbraw/zinc/84/26/69/387842669.db2.gz FDHIDYMNKJBXRC-QJPTWQEYSA-N 2 1 244.448 2.352 20 0 BEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CC1(C)C ZINC000423028414 387843656 /nfs/dbraw/zinc/84/36/56/387843656.db2.gz QNULUENBKBLQMY-FPMFFAJLSA-N 2 1 232.371 2.333 20 0 BEADMP CS[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)C(C)(C)C ZINC000423027835 387844641 /nfs/dbraw/zinc/84/46/41/387844641.db2.gz FDHIDYMNKJBXRC-IJLUTSLNSA-N 2 1 244.448 2.352 20 0 BEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CC1(C)C ZINC000423028416 387847308 /nfs/dbraw/zinc/84/73/08/387847308.db2.gz QNULUENBKBLQMY-UBHSHLNASA-N 2 1 232.371 2.333 20 0 BEADMP C[C@@H]([NH2+]CC[C@H]1CCCCO1)c1c[nH+]ccc1N ZINC000423040328 387852802 /nfs/dbraw/zinc/85/28/02/387852802.db2.gz GUYXRGDYUAXBAU-VXGBXAGGSA-N 2 1 249.358 2.104 20 0 BEADMP C[N@@H+]1C[C@@H]2C[NH+](CCC3CCCC3)C[C@@H]2C1 ZINC000193654231 387857862 /nfs/dbraw/zinc/85/78/62/387857862.db2.gz MXRWHKQPORTLQR-OKILXGFUSA-N 2 1 222.376 2.060 20 0 BEADMP C[C@@H]([NH2+]C1(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000423049681 387858055 /nfs/dbraw/zinc/85/80/55/387858055.db2.gz KFIMTNOUTZJWND-UKRRQHHQSA-N 2 1 244.382 2.492 20 0 BEADMP CC(C)C(C)(C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423056448 387862847 /nfs/dbraw/zinc/86/28/47/387862847.db2.gz FTJRTFJFYUMYMQ-NWDGAFQWSA-N 2 1 212.381 2.256 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1c[nH+]ccc1N ZINC000423064520 387868575 /nfs/dbraw/zinc/86/85/75/387868575.db2.gz RNODIVZCJBCJTD-MXWKQRLJSA-N 2 1 219.332 2.333 20 0 BEADMP CC(C)=CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423066664 387870042 /nfs/dbraw/zinc/87/00/42/387870042.db2.gz FDOQZXPPUBDKFJ-JTQLQIEISA-N 2 1 205.305 2.111 20 0 BEADMP C[C@H]([NH3+])C[NH+]1CCC(COc2ccccc2)CC1 ZINC000442665250 387817160 /nfs/dbraw/zinc/81/71/60/387817160.db2.gz LZSNHEYEPNRMTJ-ZDUSSCGKSA-N 2 1 248.370 2.125 20 0 BEADMP Cc1ccccc1OCCC[N@@H+](C)C[C@H](C)[NH3+] ZINC000442661879 387817248 /nfs/dbraw/zinc/81/72/48/387817248.db2.gz OVDUKLMCTYXMMV-ZDUSSCGKSA-N 2 1 236.359 2.043 20 0 BEADMP Cc1ccccc1OCCC[N@H+](C)C[C@H](C)[NH3+] ZINC000442661879 387817251 /nfs/dbraw/zinc/81/72/51/387817251.db2.gz OVDUKLMCTYXMMV-ZDUSSCGKSA-N 2 1 236.359 2.043 20 0 BEADMP C[C@H]([NH3+])C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000442662646 387817532 /nfs/dbraw/zinc/81/75/32/387817532.db2.gz FQZOXKWZPJUGBW-DMDPSCGWSA-N 2 1 236.334 2.351 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000442662646 387817534 /nfs/dbraw/zinc/81/75/34/387817534.db2.gz FQZOXKWZPJUGBW-DMDPSCGWSA-N 2 1 236.334 2.351 20 0 BEADMP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000442665631 387818654 /nfs/dbraw/zinc/81/86/54/387818654.db2.gz PUPUJQPWZITGMH-AAEUAGOBSA-N 2 1 236.334 2.037 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000442665631 387818658 /nfs/dbraw/zinc/81/86/58/387818658.db2.gz PUPUJQPWZITGMH-AAEUAGOBSA-N 2 1 236.334 2.037 20 0 BEADMP Fc1ccccc1[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000423103676 387889615 /nfs/dbraw/zinc/88/96/15/387889615.db2.gz XUEIFNVDWYYDGV-JHJVBQTASA-N 2 1 248.345 2.413 20 0 BEADMP CC(C)OCCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000158075173 387890785 /nfs/dbraw/zinc/89/07/85/387890785.db2.gz UNKZEOSFEYFGEH-CQSZACIVSA-N 2 1 242.407 2.075 20 0 BEADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423105670 387891046 /nfs/dbraw/zinc/89/10/46/387891046.db2.gz ZFNQESXXNPYYIA-NDBYEHHHSA-N 2 1 210.365 2.010 20 0 BEADMP CCSCCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423113723 387896970 /nfs/dbraw/zinc/89/69/70/387896970.db2.gz LAJNPECYDANICG-JTQLQIEISA-N 2 1 239.388 2.288 20 0 BEADMP Cc1cccc(CCC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)n1 ZINC000423113388 387897072 /nfs/dbraw/zinc/89/70/72/387897072.db2.gz YQKXQOKPUMYHDW-ZFWWWQNUSA-N 2 1 247.386 2.053 20 0 BEADMP CC[C@](C)(C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)OC ZINC000322518372 387879689 /nfs/dbraw/zinc/87/96/89/387879689.db2.gz KYEOBZAGSICWPT-BFHYXJOUSA-N 2 1 240.391 2.018 20 0 BEADMP CC[C@](C)(C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)OC ZINC000322518372 387879692 /nfs/dbraw/zinc/87/96/92/387879692.db2.gz KYEOBZAGSICWPT-BFHYXJOUSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@]1(C[NH2+][C@@H]2CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423135960 387913702 /nfs/dbraw/zinc/91/37/02/387913702.db2.gz OTFYMFDQGKDVFQ-ILXRZTDVSA-N 2 1 230.355 2.132 20 0 BEADMP C[C@H]([NH2+]Cc1cnccc1C(C)(C)C)C1C[NH2+]C1 ZINC000423167376 387951983 /nfs/dbraw/zinc/95/19/83/387951983.db2.gz DYUOXWDYOLKMTB-NSHDSACASA-N 2 1 247.386 2.077 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)nc1 ZINC000423168351 387952868 /nfs/dbraw/zinc/95/28/68/387952868.db2.gz ULGWBKCDRWUWAQ-ZFWWWQNUSA-N 2 1 247.386 2.053 20 0 BEADMP COC1CCC([NH2+][C@H](C)c2c[nH+]ccc2N)CC1 ZINC000423169278 387953988 /nfs/dbraw/zinc/95/39/88/387953988.db2.gz IUXFTYHLOAYVKU-VOMCLLRMSA-N 2 1 249.358 2.102 20 0 BEADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044534262 387937570 /nfs/dbraw/zinc/93/75/70/387937570.db2.gz VTVODVMDYDBBOP-XQQFMLRXSA-N 2 1 212.381 2.352 20 0 BEADMP CCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044533296 387938740 /nfs/dbraw/zinc/93/87/40/387938740.db2.gz HGYXWFGDEOULSL-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000423160440 387940600 /nfs/dbraw/zinc/94/06/00/387940600.db2.gz HGSQFOOVFWYPPF-ONGXEEELSA-N 2 1 232.318 2.009 20 0 BEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000423171130 387956211 /nfs/dbraw/zinc/95/62/11/387956211.db2.gz ZLTDTRIZLHKGGM-FQUUOJAGSA-N 2 1 240.391 2.063 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H]1C ZINC000321069966 387942620 /nfs/dbraw/zinc/94/26/20/387942620.db2.gz KGEXTQKKCVOCPQ-JTNHKYCSSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CC[NH3+] ZINC000423175740 387961705 /nfs/dbraw/zinc/96/17/05/387961705.db2.gz BAGJFTQWMFSBOQ-QMMMGPOBSA-N 2 1 232.780 2.271 20 0 BEADMP COc1ccc([C@H](C)[NH2+]CC[NH3+])c2ccccc12 ZINC000423176222 387961804 /nfs/dbraw/zinc/96/18/04/387961804.db2.gz FSNNANANLDTEDW-NSHDSACASA-N 2 1 244.338 2.458 20 0 BEADMP COc1ccc(C2CCC([NH2+]CC[NH3+])CC2)cc1 ZINC000423175701 387963005 /nfs/dbraw/zinc/96/30/05/387963005.db2.gz AUYSWIGIHWXUOX-UHFFFAOYSA-N 2 1 248.370 2.270 20 0 BEADMP C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423178353 387964459 /nfs/dbraw/zinc/96/44/59/387964459.db2.gz BVSARIMGGQNNGK-IJLUTSLNSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CC[NH3+] ZINC000423178774 387964984 /nfs/dbraw/zinc/96/49/84/387964984.db2.gz GQCFMYTXXGDWKS-MRVPVSSYSA-N 2 1 247.169 2.473 20 0 BEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)CC[N@@H+]1C ZINC000424318192 387967379 /nfs/dbraw/zinc/96/73/79/387967379.db2.gz CRHUXPWOLNFGSM-DOERSZECSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)CC[N@H+]1C ZINC000424318192 387967382 /nfs/dbraw/zinc/96/73/82/387967382.db2.gz CRHUXPWOLNFGSM-DOERSZECSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C1C(C)(C)C1(C)C ZINC000423186550 387971028 /nfs/dbraw/zinc/97/10/28/387971028.db2.gz KIHMYDYUHUSUNI-WDEREUQCSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cn[nH]c1 ZINC000453072821 387978728 /nfs/dbraw/zinc/97/87/28/387978728.db2.gz AWLHVEVEDJHVTL-NSHDSACASA-N 2 1 248.374 2.077 20 0 BEADMP C[C@H]([NH2+]CC[NH3+])C1(c2ccccc2)CCCC1 ZINC000423195619 387979424 /nfs/dbraw/zinc/97/94/24/387979424.db2.gz ZRJSKRFNFCDFHE-ZDUSSCGKSA-N 2 1 232.371 2.435 20 0 BEADMP CC(C)C[C@H]([NH2+]CC[NH3+])c1cccs1 ZINC000423194161 387979638 /nfs/dbraw/zinc/97/96/38/387979638.db2.gz WPHYQIUXZSZEHB-JTQLQIEISA-N 2 1 212.362 2.384 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@@H]1CC1(C)C ZINC000423188643 387973089 /nfs/dbraw/zinc/97/30/89/387973089.db2.gz LXZMPCRTSQRISR-WOPDTQHZSA-N 2 1 210.365 2.153 20 0 BEADMP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000453051382 387973224 /nfs/dbraw/zinc/97/32/24/387973224.db2.gz BEVUKRLPUUTTCY-UMSGYPCISA-N 2 1 210.365 2.247 20 0 BEADMP CC[C@H]1CC[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423188572 387973444 /nfs/dbraw/zinc/97/34/44/387973444.db2.gz OBZOIOIMRFBKOY-LSDHHAIUSA-N 2 1 247.386 2.340 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000245701716 387974958 /nfs/dbraw/zinc/97/49/58/387974958.db2.gz XUPHFIQYOBGQSB-MELADBBJSA-N 2 1 222.376 2.203 20 0 BEADMP c1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868242 387975856 /nfs/dbraw/zinc/97/58/56/387975856.db2.gz IONPZCPSSSCTFZ-JKSUJKDBSA-N 2 1 244.382 2.446 20 0 BEADMP c1ccc(C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423191272 387976070 /nfs/dbraw/zinc/97/60/70/387976070.db2.gz OWLBUENDFMWBPH-CVEARBPZSA-N 2 1 244.382 2.349 20 0 BEADMP C[NH2+]CCC[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000423201604 387988013 /nfs/dbraw/zinc/98/80/13/387988013.db2.gz PBMUBXWTLROXQM-LBPRGKRZSA-N 2 1 243.354 2.495 20 0 BEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1C[C@]1(F)c1ccccc1 ZINC000424368686 387992912 /nfs/dbraw/zinc/99/29/12/387992912.db2.gz ADVVETXCWOLNAN-VTPLQMEGSA-N 2 1 236.334 2.339 20 0 BEADMP Cc1ccc(C[C@@H]([NH2+][C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000423211982 387994763 /nfs/dbraw/zinc/99/47/63/387994763.db2.gz ZICMUJODDAVIRI-JKSUJKDBSA-N 2 1 244.382 2.268 20 0 BEADMP c1cncc([C@@H]2CCC[C@@H]([NH2+][C@@H]3CC[NH2+]C3)C2)c1 ZINC000423210320 387995266 /nfs/dbraw/zinc/99/52/66/387995266.db2.gz HJGMFRGDQRSOLZ-BPLDGKMQSA-N 2 1 245.370 2.059 20 0 BEADMP c1cncc([C@@H]2CCC[C@@H]([NH2+][C@H]3CC[NH2+]C3)C2)c1 ZINC000423210323 387995287 /nfs/dbraw/zinc/99/52/87/387995287.db2.gz HJGMFRGDQRSOLZ-YUELXQCFSA-N 2 1 245.370 2.059 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)[C@H]2CCC[C@H]21 ZINC000424342181 387982144 /nfs/dbraw/zinc/98/21/44/387982144.db2.gz FJMJYNNHUHLMOT-ZAQNNHEOSA-N 2 1 234.387 2.247 20 0 BEADMP C[NH2+]CCC[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000423198238 387984742 /nfs/dbraw/zinc/98/47/42/387984742.db2.gz DUUAGBIUOVXUQJ-AWEZNQCLSA-N 2 1 248.370 2.408 20 0 BEADMP C[NH2+]CCC[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000423198915 387986811 /nfs/dbraw/zinc/98/68/11/387986811.db2.gz IQELKJLWKUAKSS-LBPRGKRZSA-N 2 1 236.359 2.492 20 0 BEADMP Cc1ccnc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000423214586 387998101 /nfs/dbraw/zinc/99/81/01/387998101.db2.gz PFXVEBGAQRJSFE-STQMWFEESA-N 2 1 233.359 2.040 20 0 BEADMP Cc1cncc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423220778 388002442 /nfs/dbraw/zinc/00/24/42/388002442.db2.gz YTORJSVFMDFJMQ-YXQSOJMXSA-N 2 1 245.370 2.324 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000453185701 388005153 /nfs/dbraw/zinc/00/51/53/388005153.db2.gz XVLUKHFLFNHIFB-OAHLLOKOSA-N 2 1 234.387 2.417 20 0 BEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000156584834 388006347 /nfs/dbraw/zinc/00/63/47/388006347.db2.gz GKLVAASCEAXVPI-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP C[C@H]([NH3+])CC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000423226236 388008959 /nfs/dbraw/zinc/00/89/59/388008959.db2.gz PVSDXRKQVJXLQM-UFBFGSQYSA-N 2 1 240.297 2.279 20 0 BEADMP CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424371633 387996165 /nfs/dbraw/zinc/99/61/65/387996165.db2.gz DUQSDKNXCQDSAH-HUUCEWRRSA-N 2 1 248.370 2.445 20 0 BEADMP C[NH2+]CC[NH2+][C@H](Cc1ccccc1C)C1CC1 ZINC000423240010 388023815 /nfs/dbraw/zinc/02/38/15/388023815.db2.gz GRSQJNXHGQGGBM-OAHLLOKOSA-N 2 1 232.371 2.125 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCC(F)(F)F)CC[N@H+]1C ZINC000156617044 388011748 /nfs/dbraw/zinc/01/17/48/388011748.db2.gz WIHKDPFESIUBLM-RKDXNWHRSA-N 2 1 224.270 2.011 20 0 BEADMP CC[C@H](C)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246158485 388014276 /nfs/dbraw/zinc/01/42/76/388014276.db2.gz CZETXKOTKWDPAU-XQQFMLRXSA-N 2 1 212.381 2.447 20 0 BEADMP CC[C@H](C)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246158485 388014277 /nfs/dbraw/zinc/01/42/77/388014277.db2.gz CZETXKOTKWDPAU-XQQFMLRXSA-N 2 1 212.381 2.447 20 0 BEADMP CC[C@H](C)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246158485 388014278 /nfs/dbraw/zinc/01/42/78/388014278.db2.gz CZETXKOTKWDPAU-XQQFMLRXSA-N 2 1 212.381 2.447 20 0 BEADMP CC[C@H](C)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246158485 388014279 /nfs/dbraw/zinc/01/42/79/388014279.db2.gz CZETXKOTKWDPAU-XQQFMLRXSA-N 2 1 212.381 2.447 20 0 BEADMP CC1(C)CCC[C@@H]([NH2+][C@@H](C[NH3+])C2CC2)C1 ZINC000423269865 388017003 /nfs/dbraw/zinc/01/70/03/388017003.db2.gz FZYNJONQJSSDCI-NEPJUHHUSA-N 2 1 210.365 2.282 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423234926 388018981 /nfs/dbraw/zinc/01/89/81/388018981.db2.gz MQSKXADAYFHGOX-UKRRQHHQSA-N 2 1 247.386 2.307 20 0 BEADMP CCCC[C@@H](C)[C@H](C)[NH2+]CC[NH2+]CC ZINC000423239008 388022450 /nfs/dbraw/zinc/02/24/50/388022450.db2.gz RNFVROBRYKPQRF-NEPJUHHUSA-N 2 1 200.370 2.400 20 0 BEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccsc1 ZINC000423265937 388044366 /nfs/dbraw/zinc/04/43/66/388044366.db2.gz BKZIKAOOYIPSIM-KWQFWETISA-N 2 1 210.346 2.136 20 0 BEADMP COC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)C(C)C ZINC000423258139 388038167 /nfs/dbraw/zinc/03/81/67/388038167.db2.gz BDAKDAMZIUQBQR-UONOGXRCSA-N 2 1 242.407 2.155 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccncc1 ZINC000423258093 388038195 /nfs/dbraw/zinc/03/81/95/388038195.db2.gz AYYCCUNVHMIVAT-WCQYABFASA-N 2 1 221.348 2.106 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000423263165 388040462 /nfs/dbraw/zinc/04/04/62/388040462.db2.gz NZMISQMSSULPEC-GXFFZTMASA-N 2 1 224.323 2.460 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000423265331 388043394 /nfs/dbraw/zinc/04/33/94/388043394.db2.gz CVJWDZBBWOGGON-LSDHHAIUSA-N 2 1 247.386 2.496 20 0 BEADMP CC[NH2+]CC[NH2+]C(C1CCC1)C1CCC1 ZINC000423244806 388028497 /nfs/dbraw/zinc/02/84/97/388028497.db2.gz XTOPELFGGFAVAG-UHFFFAOYSA-N 2 1 210.365 2.154 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CC(C)(F)C1 ZINC000453256542 388028600 /nfs/dbraw/zinc/02/86/00/388028600.db2.gz UFZLSYQEUJIYML-BFCCFQBASA-N 2 1 228.355 2.195 20 0 BEADMP CCC[C@H](C)[C@@H](CC)[NH2+]CC[NH2+]CC ZINC000423244598 388028818 /nfs/dbraw/zinc/02/88/18/388028818.db2.gz LHXPWKBESVKCKQ-NWDGAFQWSA-N 2 1 200.370 2.400 20 0 BEADMP CC[C@H]([NH2+]C[C@@H](C)C[NH2+]C)c1ccc(F)cn1 ZINC000423272855 388051774 /nfs/dbraw/zinc/05/17/74/388051774.db2.gz KCZYISFFIDPNHW-JQWIXIFHSA-N 2 1 239.338 2.117 20 0 BEADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000453350587 388054957 /nfs/dbraw/zinc/05/49/57/388054957.db2.gz LOJOATCZCYOPRJ-XUXIUFHCSA-N 2 1 224.392 2.208 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000423275735 388056612 /nfs/dbraw/zinc/05/66/12/388056612.db2.gz NOKPNUOFWGUCLZ-CABCVRRESA-N 2 1 248.370 2.343 20 0 BEADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(F)c1 ZINC000423277245 388058390 /nfs/dbraw/zinc/05/83/90/388058390.db2.gz OCCBYBPLAWJJFV-NOZJJQNGSA-N 2 1 222.307 2.214 20 0 BEADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H](C[NH3+])C1CC1 ZINC000423277169 388058685 /nfs/dbraw/zinc/05/86/85/388058685.db2.gz NTRSXWLDHHKXSZ-YUSALJHKSA-N 2 1 210.365 2.138 20 0 BEADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000083701088 388058883 /nfs/dbraw/zinc/05/88/83/388058883.db2.gz OKPGHPGGXNNHFU-HZSPNIEDSA-N 2 1 222.376 2.251 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000423276969 388058922 /nfs/dbraw/zinc/05/89/22/388058922.db2.gz PBUGZUSGHFOECJ-KOLCDFICSA-N 2 1 210.321 2.094 20 0 BEADMP C[C@H](CCCc1cccnc1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423279028 388059639 /nfs/dbraw/zinc/05/96/39/388059639.db2.gz QVMNHQPCNJWLCZ-IUODEOHRSA-N 2 1 247.386 2.120 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccncc1 ZINC000423277983 388060571 /nfs/dbraw/zinc/06/05/71/388060571.db2.gz QEYZBBCJQALBOY-CHWSQXEVSA-N 2 1 221.348 2.106 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccsc1 ZINC000423278043 388060656 /nfs/dbraw/zinc/06/06/56/388060656.db2.gz QKLWMWITFQPYDS-MWLCHTKSSA-N 2 1 212.362 2.382 20 0 BEADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccncc1 ZINC000423277985 388060668 /nfs/dbraw/zinc/06/06/68/388060668.db2.gz QEYZBBCJQALBOY-QWHCGFSZSA-N 2 1 221.348 2.106 20 0 BEADMP CCOc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423278682 388060934 /nfs/dbraw/zinc/06/09/34/388060934.db2.gz QDIREWNGNUWXIW-ABAIWWIYSA-N 2 1 248.370 2.473 20 0 BEADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(OC)cc1 ZINC000423279882 388062188 /nfs/dbraw/zinc/06/21/88/388062188.db2.gz RYEYMKDODFNTCV-CABCVRRESA-N 2 1 248.370 2.473 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000453382600 388065805 /nfs/dbraw/zinc/06/58/05/388065805.db2.gz ZGAWKLKUJCFQBH-NKQKNBIVSA-N 2 1 236.403 2.351 20 0 BEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccccc1N(C)C ZINC000423282525 388065964 /nfs/dbraw/zinc/06/59/64/388065964.db2.gz VITHVKPVKWFCBX-SMDDNHRTSA-N 2 1 247.386 2.141 20 0 BEADMP CC(C)=CCC[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423282510 388066058 /nfs/dbraw/zinc/06/60/58/388066058.db2.gz VGHJTJBLUFTMOS-DGCLKSJQSA-N 2 1 210.365 2.448 20 0 BEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)C1CCCCC1 ZINC000423283398 388066080 /nfs/dbraw/zinc/06/60/80/388066080.db2.gz VZNVDMMYZZMGCS-GWCFXTLKSA-N 2 1 210.365 2.282 20 0 BEADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cccnc1 ZINC000423282644 388066150 /nfs/dbraw/zinc/06/61/50/388066150.db2.gz DBQFLDJMALSNOG-LLVKDONJSA-N 2 1 221.348 2.250 20 0 BEADMP C[N@@H+](CCCC[NH2+][C@H]1CCOC1(C)C)C1CC1 ZINC000453389462 388067334 /nfs/dbraw/zinc/06/73/34/388067334.db2.gz CMJNTMAWYWITKT-ZDUSSCGKSA-N 2 1 240.391 2.018 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000423285051 388068430 /nfs/dbraw/zinc/06/84/30/388068430.db2.gz ZFIHLJCKOSLSHF-ZJUUUORDSA-N 2 1 242.313 2.471 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000423285685 388069736 /nfs/dbraw/zinc/06/97/36/388069736.db2.gz ZTOUTALUQAJZGA-UWVGGRQHSA-N 2 1 242.313 2.471 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000423285049 388070018 /nfs/dbraw/zinc/07/00/18/388070018.db2.gz ZFIHLJCKOSLSHF-UWVGGRQHSA-N 2 1 242.313 2.471 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@@H]1C ZINC000453396858 388070849 /nfs/dbraw/zinc/07/08/49/388070849.db2.gz IWWWADXJWPERAL-BZPMIXESSA-N 2 1 224.392 2.495 20 0 BEADMP Cc1cc([C@H](C)[NH2+]CC(C)(C)[NH3+])cs1 ZINC000423287495 388071275 /nfs/dbraw/zinc/07/12/75/388071275.db2.gz MQGJBWUNTQLUFJ-VIFPVBQESA-N 2 1 212.362 2.444 20 0 BEADMP C[NH+]1CCC([NH2+]CCC2CC(F)(F)C2)CC1 ZINC000453403190 388073474 /nfs/dbraw/zinc/07/34/74/388073474.db2.gz CTANXMVJZCPWCB-UHFFFAOYSA-N 2 1 232.318 2.106 20 0 BEADMP CC(C)[C@H]([NH2+]CC(C)(C)[NH3+])c1cccnc1 ZINC000423288579 388073678 /nfs/dbraw/zinc/07/36/78/388073678.db2.gz TUBKQEMTBZZMRZ-LBPRGKRZSA-N 2 1 221.348 2.106 20 0 BEADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1CCCO1 ZINC000453404810 388074850 /nfs/dbraw/zinc/07/48/50/388074850.db2.gz PYVSDSJOSBWNOL-OCCSQVGLSA-N 2 1 240.391 2.018 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC12CCC2 ZINC000423294260 388076145 /nfs/dbraw/zinc/07/61/45/388076145.db2.gz BOSQZJVHTZNLCU-VXGBXAGGSA-N 2 1 210.365 2.426 20 0 BEADMP Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000084946763 388082258 /nfs/dbraw/zinc/08/22/58/388082258.db2.gz CZBRHQUICUGDSG-LBPRGKRZSA-N 2 1 236.334 2.305 20 0 BEADMP Cc1ccc(F)c(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000084946763 388082259 /nfs/dbraw/zinc/08/22/59/388082259.db2.gz CZBRHQUICUGDSG-LBPRGKRZSA-N 2 1 236.334 2.305 20 0 BEADMP CC[C@@]1(C(C)C)C[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000453469182 388083943 /nfs/dbraw/zinc/08/39/43/388083943.db2.gz ZXDNVAGXDOAQBW-KBPBESRZSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H](CC[NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000086729950 388108228 /nfs/dbraw/zinc/10/82/28/388108228.db2.gz BCXJVEYGINOXNH-GXTWGEPZSA-N 2 1 218.344 2.132 20 0 BEADMP C[N@H+](CC[NH2+][C@H]1CCCOCC1)C1CCCC1 ZINC000086874641 388110276 /nfs/dbraw/zinc/11/02/76/388110276.db2.gz TXHJUEKFGXXZLB-ZDUSSCGKSA-N 2 1 240.391 2.020 20 0 BEADMP C[N@@H+](CC[NH2+][C@H]1CCCOCC1)C1CCCC1 ZINC000086874641 388110277 /nfs/dbraw/zinc/11/02/77/388110277.db2.gz TXHJUEKFGXXZLB-ZDUSSCGKSA-N 2 1 240.391 2.020 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000423268573 388048231 /nfs/dbraw/zinc/04/82/31/388048231.db2.gz UUOJCBMSFXIZOO-TUAOUCFPSA-N 2 1 212.381 2.384 20 0 BEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)[C@@H]1CCCO1 ZINC000423271197 388049166 /nfs/dbraw/zinc/04/91/66/388049166.db2.gz XMYQLDCIPYARTN-UBHSHLNASA-N 2 1 240.391 2.051 20 0 BEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)C1(C)C ZINC000423272539 388050789 /nfs/dbraw/zinc/05/07/89/388050789.db2.gz ZCBFMOGAXVNSIO-YNEHKIRRSA-N 2 1 242.407 2.153 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(C)(F)F)[C@H](C)C1 ZINC000449354690 388180087 /nfs/dbraw/zinc/18/00/87/388180087.db2.gz QMSZPVNBDOJOGQ-GHMZBOCLSA-N 2 1 234.334 2.352 20 0 BEADMP CC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)C1CCC1 ZINC000324955900 388129396 /nfs/dbraw/zinc/12/93/96/388129396.db2.gz VPQZJAXLFHSABM-CHWSQXEVSA-N 2 1 210.365 2.297 20 0 BEADMP CC/C=C\C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000449455706 388210481 /nfs/dbraw/zinc/21/04/81/388210481.db2.gz LOSYAEYVCHLIBI-ZSBJFDRYSA-N 2 1 210.365 2.273 20 0 BEADMP CS[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000451328759 388263180 /nfs/dbraw/zinc/26/31/80/388263180.db2.gz VSIFKVBLQJSJIP-CYBMUJFWSA-N 2 1 242.432 2.300 20 0 BEADMP CCOc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000233781178 388349096 /nfs/dbraw/zinc/34/90/96/388349096.db2.gz RNVVFMZGUKICAD-GHMZBOCLSA-N 2 1 222.332 2.083 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CS[C@H](C)C1 ZINC000300369670 388362501 /nfs/dbraw/zinc/36/25/01/388362501.db2.gz ZQSKJOLMSWIVDA-VXGBXAGGSA-N 2 1 230.421 2.200 20 0 BEADMP C[C@@H](CN)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000235145734 388365354 /nfs/dbraw/zinc/36/53/54/388365354.db2.gz UGZPMINODIKVSA-IUCAKERBSA-N 2 1 244.285 2.286 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000235145734 388365357 /nfs/dbraw/zinc/36/53/57/388365357.db2.gz UGZPMINODIKVSA-IUCAKERBSA-N 2 1 244.285 2.286 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCc2ccccc21 ZINC000235100347 388365572 /nfs/dbraw/zinc/36/55/72/388365572.db2.gz PODUNBIYBAMVSX-GWCFXTLKSA-N 2 1 204.317 2.001 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+][C@H](C)CN)c(C)c1 ZINC000235462054 388369565 /nfs/dbraw/zinc/36/95/65/388369565.db2.gz YLLCKWLLHQNOLF-VXGBXAGGSA-N 2 1 206.333 2.301 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])c(C)c1 ZINC000235462054 388369567 /nfs/dbraw/zinc/36/95/67/388369567.db2.gz YLLCKWLLHQNOLF-VXGBXAGGSA-N 2 1 206.333 2.301 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@H](C)CN)c(C)c1 ZINC000235459132 388369726 /nfs/dbraw/zinc/36/97/26/388369726.db2.gz YLLCKWLLHQNOLF-NEPJUHHUSA-N 2 1 206.333 2.301 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])c(C)c1 ZINC000235459132 388369727 /nfs/dbraw/zinc/36/97/27/388369727.db2.gz YLLCKWLLHQNOLF-NEPJUHHUSA-N 2 1 206.333 2.301 20 0 BEADMP CCOCCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000165111202 388391592 /nfs/dbraw/zinc/39/15/92/388391592.db2.gz DMWNNKBDYCGZJE-BFHYXJOUSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000300997950 388397663 /nfs/dbraw/zinc/39/76/63/388397663.db2.gz VHKLEWWKLKSFKN-MXWKQRLJSA-N 2 1 232.318 2.233 20 0 BEADMP Cc1c[nH+]ccc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322754534 388445739 /nfs/dbraw/zinc/44/57/39/388445739.db2.gz XZDPXZVHHGHBKQ-YHWZYXNKSA-N 2 1 231.343 2.427 20 0 BEADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H]1CCSC1 ZINC000308628846 388445898 /nfs/dbraw/zinc/44/58/98/388445898.db2.gz WMLBUOMWSYITRC-LBPRGKRZSA-N 2 1 242.432 2.204 20 0 BEADMP Fc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000335266603 388449208 /nfs/dbraw/zinc/44/92/08/388449208.db2.gz BGQHORZDXZYPSZ-OKILXGFUSA-N 2 1 248.345 2.257 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)nc1 ZINC000397264795 388455762 /nfs/dbraw/zinc/45/57/62/388455762.db2.gz IQWDKXVMOISJGX-MCIONIFRSA-N 2 1 247.386 2.195 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)nc1 ZINC000397264793 388455916 /nfs/dbraw/zinc/45/59/16/388455916.db2.gz IQWDKXVMOISJGX-IHRRRGAJSA-N 2 1 247.386 2.195 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cn1 ZINC000397304641 388458057 /nfs/dbraw/zinc/45/80/57/388458057.db2.gz LYEUKELYWFBAQR-KYOSRNDESA-N 2 1 247.386 2.195 20 0 BEADMP CCS[C@H]1CC[C@H]([N@@H+](C)CCC[NH2+]C)C1 ZINC000336719421 388467570 /nfs/dbraw/zinc/46/75/70/388467570.db2.gz YEMQVQMZHDTJJW-RYUDHWBXSA-N 2 1 230.421 2.202 20 0 BEADMP CCc1cc(NCC[N@@H+](C)C(C)C)cc[nH+]1 ZINC000307827449 388427337 /nfs/dbraw/zinc/42/73/37/388427337.db2.gz YAUQCKDZPAMNOQ-UHFFFAOYSA-N 2 1 221.348 2.396 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)C1CCC1 ZINC000322367550 388432666 /nfs/dbraw/zinc/43/26/66/388432666.db2.gz ILUDRGCICOCQMY-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@](C)(C[NH2+]C1CC[NH+](C2CC2)CC1)OC ZINC000322550331 388438636 /nfs/dbraw/zinc/43/86/36/388438636.db2.gz VGOGAGNSNDLSEJ-CQSZACIVSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCCCO1 ZINC000356696465 388550681 /nfs/dbraw/zinc/55/06/81/388550681.db2.gz MGBXYPRLHQEAEB-XJFOESAGSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCCCO1 ZINC000356696465 388550682 /nfs/dbraw/zinc/55/06/82/388550682.db2.gz MGBXYPRLHQEAEB-XJFOESAGSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000205253621 388487815 /nfs/dbraw/zinc/48/78/15/388487815.db2.gz SJNTTZUYTCOSML-IUCAKERBSA-N 2 1 212.724 2.338 20 0 BEADMP [NH3+][C@H]1C[C@@H]([NH2+]CCC2(O)CCC2)c2ccccc21 ZINC000397760394 388497499 /nfs/dbraw/zinc/49/74/99/388497499.db2.gz VHRWQHTTWXTASL-UONOGXRCSA-N 2 1 246.354 2.026 20 0 BEADMP C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000397776064 388498187 /nfs/dbraw/zinc/49/81/87/388498187.db2.gz BDDPBPWMJLPKQE-NOOOWODRSA-N 2 1 228.405 2.001 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)C1CC1 ZINC000397976434 388513386 /nfs/dbraw/zinc/51/33/86/388513386.db2.gz KRJAUPNCDIHQBW-PWSUYJOCSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1cccs1 ZINC000516759673 388516227 /nfs/dbraw/zinc/51/62/27/388516227.db2.gz WWMFIJILMSNMIP-DGCLKSJQSA-N 2 1 238.400 2.268 20 0 BEADMP CC[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@H]([NH2+]C)C2)C1 ZINC000346627653 388520532 /nfs/dbraw/zinc/52/05/32/388520532.db2.gz AHRYTTAFRVDMBW-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H]([NH2+]C)C2)C1 ZINC000346627653 388520533 /nfs/dbraw/zinc/52/05/33/388520533.db2.gz AHRYTTAFRVDMBW-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H](C[NH3+])C2)C1 ZINC000347093878 388522206 /nfs/dbraw/zinc/52/22/06/388522206.db2.gz GUQGYRUDRCRMGF-MCIONIFRSA-N 2 1 224.392 2.483 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1ccc2c(c1)CC(C)(C)O2 ZINC000516970370 388529346 /nfs/dbraw/zinc/52/93/46/388529346.db2.gz KRIZIDCIWVYNCI-UHFFFAOYSA-N 2 1 248.370 2.181 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CCC[NH+]2CCC2)C[C@H]1C ZINC000520837859 388536784 /nfs/dbraw/zinc/53/67/84/388536784.db2.gz JFWMXLUGPDEKAJ-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2F)[C@@H]2CCC[C@@H]21 ZINC000550934148 388617104 /nfs/dbraw/zinc/61/71/04/388617104.db2.gz WVMNOXKPDVJCNZ-NDKCEZKHSA-N 2 1 240.366 2.339 20 0 BEADMP CO[C@H](C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C)c1ccccc1 ZINC000379171135 388594686 /nfs/dbraw/zinc/59/46/86/388594686.db2.gz DIKNAXKSMCFXGE-NWANDNLSSA-N 2 1 248.370 2.186 20 0 BEADMP CS[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000521192232 388564304 /nfs/dbraw/zinc/56/43/04/388564304.db2.gz OCILFBUQBHIHSM-CHWSQXEVSA-N 2 1 242.432 2.298 20 0 BEADMP CS[C@@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000521192232 388564305 /nfs/dbraw/zinc/56/43/05/388564305.db2.gz OCILFBUQBHIHSM-CHWSQXEVSA-N 2 1 242.432 2.298 20 0 BEADMP CS[C@@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000521192232 388564307 /nfs/dbraw/zinc/56/43/07/388564307.db2.gz OCILFBUQBHIHSM-CHWSQXEVSA-N 2 1 242.432 2.298 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CCOC(C)C)[C@@H](C)C1 ZINC000245412691 388577528 /nfs/dbraw/zinc/57/75/28/388577528.db2.gz AVPLBWSBHOEOPB-KBPBESRZSA-N 2 1 242.407 2.074 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CCOC(C)C)[C@@H](C)C1 ZINC000245412691 388577530 /nfs/dbraw/zinc/57/75/30/388577530.db2.gz AVPLBWSBHOEOPB-KBPBESRZSA-N 2 1 242.407 2.074 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOC(C)C)[C@@H](C)C1 ZINC000245412691 388577531 /nfs/dbraw/zinc/57/75/31/388577531.db2.gz AVPLBWSBHOEOPB-KBPBESRZSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000125895579 388681750 /nfs/dbraw/zinc/68/17/50/388681750.db2.gz ZCIVWZNNYHPMRO-STQMWFEESA-N 2 1 212.381 2.495 20 0 BEADMP c1ccc2c(c1)CC([NH2+][C@@H]1CC[NH2+]C13CCC3)C2 ZINC000530176610 388619886 /nfs/dbraw/zinc/61/98/86/388619886.db2.gz CRTCFMYUYZIXKW-OAHLLOKOSA-N 2 1 242.366 2.028 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000530213071 388627833 /nfs/dbraw/zinc/62/78/33/388627833.db2.gz TTYLTTHMKOAKFU-YPMHNXCESA-N 2 1 224.392 2.482 20 0 BEADMP CCC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000246324603 388630245 /nfs/dbraw/zinc/63/02/45/388630245.db2.gz FPZGULZXHNXWJL-JHJVBQTASA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)C1C[NH2+]C1 ZINC000530218143 388630207 /nfs/dbraw/zinc/63/02/07/388630207.db2.gz KESRAYOURABDEU-ABAIWWIYSA-N 2 1 245.370 2.120 20 0 BEADMP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530216250 388630363 /nfs/dbraw/zinc/63/03/63/388630363.db2.gz OWKPMIVYENEBDY-DGCLKSJQSA-N 2 1 234.343 2.085 20 0 BEADMP CC1(C)CC(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000530216448 388630683 /nfs/dbraw/zinc/63/06/83/388630683.db2.gz BMZWMFMJADVUKC-CQSZACIVSA-N 2 1 222.376 2.108 20 0 BEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC1CC(C)(C)C1 ZINC000530225157 388635083 /nfs/dbraw/zinc/63/50/83/388635083.db2.gz WUSFEQSWPMLIBB-QWRGUYRKSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@@H]1CC(F)(F)CC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000530233637 388636923 /nfs/dbraw/zinc/63/69/23/388636923.db2.gz ZJKAFZUQXFLUQI-MNOVXSKESA-N 2 1 232.318 2.106 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CCC2)[C@@H](C)C1 ZINC000246487022 388639191 /nfs/dbraw/zinc/63/91/91/388639191.db2.gz IDHMLTMCCNZIHW-GXTWGEPZSA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CCC2)[C@@H](C)C1 ZINC000246487022 388639193 /nfs/dbraw/zinc/63/91/93/388639193.db2.gz IDHMLTMCCNZIHW-GXTWGEPZSA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CCC2)[C@@H](C)C1 ZINC000246487022 388639195 /nfs/dbraw/zinc/63/91/95/388639195.db2.gz IDHMLTMCCNZIHW-GXTWGEPZSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cccc(O)c1 ZINC000261551880 388643334 /nfs/dbraw/zinc/64/33/34/388643334.db2.gz MMOGRWDOGFTHOK-COPLHBTASA-N 2 1 234.343 2.041 20 0 BEADMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246973259 388656363 /nfs/dbraw/zinc/65/63/63/388656363.db2.gz JFJOYZJKTJTOJJ-CYDGBPFRSA-N 2 1 212.381 2.493 20 0 BEADMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246973259 388656365 /nfs/dbraw/zinc/65/63/65/388656365.db2.gz JFJOYZJKTJTOJJ-CYDGBPFRSA-N 2 1 212.381 2.493 20 0 BEADMP CCCCOCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000128011958 388736349 /nfs/dbraw/zinc/73/63/49/388736349.db2.gz WCAQOSVYICPHND-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP CSC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000248662958 388689580 /nfs/dbraw/zinc/68/95/80/388689580.db2.gz YWXLCAOYVKDYKP-RYUDHWBXSA-N 2 1 240.416 2.098 20 0 BEADMP COC[C@@H](C)C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000225690652 388726081 /nfs/dbraw/zinc/72/60/81/388726081.db2.gz NGGHXHZUPPIFAV-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000230001203 388809277 /nfs/dbraw/zinc/80/92/77/388809277.db2.gz PGKOEAXZHDIZHJ-OAHLLOKOSA-N 2 1 248.370 2.016 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H]1C ZINC000252748104 388780194 /nfs/dbraw/zinc/78/01/94/388780194.db2.gz SMHMVBDCCPMYHE-FRRDWIJNSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H]1C ZINC000252748104 388780198 /nfs/dbraw/zinc/78/01/98/388780198.db2.gz SMHMVBDCCPMYHE-FRRDWIJNSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCC[NH+]1CCC1 ZINC000565215462 388927441 /nfs/dbraw/zinc/92/74/41/388927441.db2.gz KDDYBNANGKEKQL-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H](Cc1ccsc1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000565762733 388967293 /nfs/dbraw/zinc/96/72/93/388967293.db2.gz FLKNQOKCUKQFPL-CABZTGNLSA-N 2 1 224.373 2.006 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000565510470 388949510 /nfs/dbraw/zinc/94/95/10/388949510.db2.gz FJISVXVKFYOBQT-BFHYXJOUSA-N 2 1 242.407 2.121 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000565510470 388949511 /nfs/dbraw/zinc/94/95/11/388949511.db2.gz FJISVXVKFYOBQT-BFHYXJOUSA-N 2 1 242.407 2.121 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCOC[C@H]1C ZINC000565510476 388950472 /nfs/dbraw/zinc/95/04/72/388950472.db2.gz FJISVXVKFYOBQT-MCIONIFRSA-N 2 1 242.407 2.121 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCOC[C@H]1C ZINC000565510476 388950474 /nfs/dbraw/zinc/95/04/74/388950474.db2.gz FJISVXVKFYOBQT-MCIONIFRSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000566009784 388983364 /nfs/dbraw/zinc/98/33/64/388983364.db2.gz LPCWZMVINIWHGU-XDQVBPFNSA-N 3 1 241.423 2.013 20 0 BEADMP CCSCC[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000273747896 389043043 /nfs/dbraw/zinc/04/30/43/389043043.db2.gz OQZGTUXSRIXCJO-NSHDSACASA-N 2 1 241.404 2.170 20 0 BEADMP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)C1CCCC1 ZINC000261571344 533364235 /nfs/dbraw/zinc/36/42/35/533364235.db2.gz HMQJUTVSHNCZPV-KBPBESRZSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CCC[NH2+]1 ZINC000400440968 533365311 /nfs/dbraw/zinc/36/53/11/533365311.db2.gz MIHPCQKEAXYIGY-DGCLKSJQSA-N 2 1 208.349 2.217 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccncc2)CC[N@H+]1C ZINC000487321406 533639457 /nfs/dbraw/zinc/63/94/57/533639457.db2.gz RMAGFDVJMFTMLE-LNMOPNHASA-N 2 1 245.370 2.167 20 0 BEADMP Cc1cc[nH+]c(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000268884537 132193665 /nfs/dbraw/zinc/19/36/65/132193665.db2.gz WUPCNWGIFLTYJI-ZIAGYGMSSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cc[nH+]c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000268884537 132193667 /nfs/dbraw/zinc/19/36/67/132193667.db2.gz WUPCNWGIFLTYJI-ZIAGYGMSSA-N 2 1 245.370 2.311 20 0 BEADMP C[NH2+]CCC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000070190098 132230396 /nfs/dbraw/zinc/23/03/96/132230396.db2.gz KPTFUAGGUROUBG-UHFFFAOYSA-N 2 1 233.359 2.216 20 0 BEADMP c1coc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000250076337 133644362 /nfs/dbraw/zinc/64/43/62/133644362.db2.gz FGNAUCRMFISYLH-MGPQQGTHSA-N 2 1 234.343 2.290 20 0 BEADMP C[C@H](F)CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000352012706 134036043 /nfs/dbraw/zinc/03/60/43/134036043.db2.gz GIKYMWJKDFUYKH-GXTWGEPZSA-N 2 1 242.382 2.398 20 0 BEADMP C[C@H](F)CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000352012706 134036044 /nfs/dbraw/zinc/03/60/44/134036044.db2.gz GIKYMWJKDFUYKH-GXTWGEPZSA-N 2 1 242.382 2.398 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CCSCC1 ZINC000167691418 134154037 /nfs/dbraw/zinc/15/40/37/134154037.db2.gz NZWHJVMLTLSMDL-YPMHNXCESA-N 2 1 242.432 2.059 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)c2cccnc2)C1 ZINC000218068246 134251499 /nfs/dbraw/zinc/25/14/99/134251499.db2.gz ONBGGHIHXWUELJ-STQMWFEESA-N 2 1 233.359 2.074 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)c2cccnc2)C1 ZINC000218068246 134251500 /nfs/dbraw/zinc/25/15/00/134251500.db2.gz ONBGGHIHXWUELJ-STQMWFEESA-N 2 1 233.359 2.074 20 0 BEADMP CC[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178038464 134302501 /nfs/dbraw/zinc/30/25/01/134302501.db2.gz YQGKXZDJLNVYKF-MCIONIFRSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178038476 134302806 /nfs/dbraw/zinc/30/28/06/134302806.db2.gz YQGKXZDJLNVYKF-MELADBBJSA-N 2 1 242.407 2.264 20 0 BEADMP Cc1cncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000222600256 134333552 /nfs/dbraw/zinc/33/35/52/134333552.db2.gz BKDCLXRKXXWSNM-LSDHHAIUSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1cncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000222600256 134333553 /nfs/dbraw/zinc/33/35/53/134333553.db2.gz BKDCLXRKXXWSNM-LSDHHAIUSA-N 2 1 245.370 2.106 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000226363809 134364378 /nfs/dbraw/zinc/36/43/78/134364378.db2.gz OACOQGIYOAHRGI-RQJABVFESA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000226363809 134364379 /nfs/dbraw/zinc/36/43/79/134364379.db2.gz OACOQGIYOAHRGI-RQJABVFESA-N 2 1 222.376 2.391 20 0 BEADMP Cc1ccc([C@H](C)[N@@H+](C)CCC[NH3+])cc1 ZINC000227745183 134391957 /nfs/dbraw/zinc/39/19/57/134391957.db2.gz CITFBEVLVPERFW-LBPRGKRZSA-N 2 1 206.333 2.337 20 0 BEADMP CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000070643031 135000002 /nfs/dbraw/zinc/00/00/02/135000002.db2.gz XSMQHIPNBGAFGC-DGCLKSJQSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C1CC1 ZINC000249331243 135037159 /nfs/dbraw/zinc/03/71/59/135037159.db2.gz WUSBWJKUCHKNBM-PRULPYPASA-N 2 1 210.365 2.103 20 0 BEADMP C1C[N@@H+]2CCCC[C@@H]2[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000250833588 135060139 /nfs/dbraw/zinc/06/01/39/135060139.db2.gz KANUHZYSSMSOHQ-FRRDWIJNSA-N 2 1 240.416 2.098 20 0 BEADMP C1C[N@H+]2CCCC[C@@H]2[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000250833588 135060141 /nfs/dbraw/zinc/06/01/41/135060141.db2.gz KANUHZYSSMSOHQ-FRRDWIJNSA-N 2 1 240.416 2.098 20 0 BEADMP Cc1c[nH+]ccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250877259 135060678 /nfs/dbraw/zinc/06/06/78/135060678.db2.gz QREUCTWCOMPDIR-STQMWFEESA-N 2 1 231.343 2.429 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)c1cccnc1 ZINC000251354869 135069198 /nfs/dbraw/zinc/06/91/98/135069198.db2.gz TZQWZXRENOMPNU-OCCSQVGLSA-N 2 1 235.375 2.448 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)c1cccnc1 ZINC000251354869 135069199 /nfs/dbraw/zinc/06/91/99/135069199.db2.gz TZQWZXRENOMPNU-OCCSQVGLSA-N 2 1 235.375 2.448 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000251685498 135074214 /nfs/dbraw/zinc/07/42/14/135074214.db2.gz AQBRMURSNBXWDD-JHJVBQTASA-N 2 1 222.376 2.249 20 0 BEADMP C[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252219227 135088072 /nfs/dbraw/zinc/08/80/72/135088072.db2.gz YOQHIUQNLZTACV-APYLGABCSA-N 2 1 222.376 2.390 20 0 BEADMP CCC[C@@H](C)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086637535 135091893 /nfs/dbraw/zinc/09/18/93/135091893.db2.gz DZZPIIIZJXTYJB-LLVKDONJSA-N 2 1 200.370 2.339 20 0 BEADMP C[C@H]1CC[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)C1 ZINC000086701595 135094293 /nfs/dbraw/zinc/09/42/93/135094293.db2.gz DRZJUWLMSHKWQF-WCQYABFASA-N 2 1 210.365 2.106 20 0 BEADMP Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)nc(C)[nH+]1 ZINC000252674450 135095376 /nfs/dbraw/zinc/09/53/76/135095376.db2.gz RDDKSZZHYDIWEP-STQMWFEESA-N 2 1 246.358 2.132 20 0 BEADMP Cc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)nc(C)[nH+]1 ZINC000252674450 135095377 /nfs/dbraw/zinc/09/53/77/135095377.db2.gz RDDKSZZHYDIWEP-STQMWFEESA-N 2 1 246.358 2.132 20 0 BEADMP C1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000252675434 135095695 /nfs/dbraw/zinc/09/56/95/135095695.db2.gz ZTUBPWUGZCJWMQ-OLZOCXBDSA-N 2 1 208.349 2.145 20 0 BEADMP C[C@@H]1CCC[C@@H](CC[NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000086730295 135096039 /nfs/dbraw/zinc/09/60/39/135096039.db2.gz CUXNURRAYIXTJP-FRRDWIJNSA-N 2 1 210.365 2.154 20 0 BEADMP CO[C@H](C)[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252711049 135099243 /nfs/dbraw/zinc/09/92/43/135099243.db2.gz IJROWCHYEGUBNK-MGPQQGTHSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC1CCCC1 ZINC000252710146 135099711 /nfs/dbraw/zinc/09/97/11/135099711.db2.gz FURIRQNBNMOQRP-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000252709565 135099756 /nfs/dbraw/zinc/09/97/56/135099756.db2.gz DFPCMVBKDZEEHR-NDBYEHHHSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000252709565 135099757 /nfs/dbraw/zinc/09/97/57/135099757.db2.gz DFPCMVBKDZEEHR-NDBYEHHHSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000252717053 135102775 /nfs/dbraw/zinc/10/27/75/135102775.db2.gz ZQMWPIMOALWDCD-UPJWGTAASA-N 2 1 242.432 2.202 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(C)CCC1 ZINC000252728925 135103497 /nfs/dbraw/zinc/10/34/97/135103497.db2.gz DKCLPCRMJLBEIG-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1ccsc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000259210577 135104094 /nfs/dbraw/zinc/10/40/94/135104094.db2.gz XDHBZMLDSBAHKD-UHFFFAOYSA-N 2 1 224.373 2.240 20 0 BEADMP CC(C)(C)CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261537105 135108459 /nfs/dbraw/zinc/10/84/59/135108459.db2.gz UWSOULUHYKMPJQ-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252672694 135108730 /nfs/dbraw/zinc/10/87/30/135108730.db2.gz CFDIWLMPNAIRDQ-OLZOCXBDSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(F)cc1 ZINC000261538328 135109008 /nfs/dbraw/zinc/10/90/08/135109008.db2.gz XTFOECWBZIDVOA-SECBINFHSA-N 2 1 210.296 2.214 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccsc1 ZINC000252888909 135116905 /nfs/dbraw/zinc/11/69/05/135116905.db2.gz BYFHNPHPLUQZHS-ZYHUDNBSSA-N 2 1 224.373 2.178 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccsc1 ZINC000252888909 135116907 /nfs/dbraw/zinc/11/69/07/135116907.db2.gz BYFHNPHPLUQZHS-ZYHUDNBSSA-N 2 1 224.373 2.178 20 0 BEADMP Cc1ccsc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252891735 135116945 /nfs/dbraw/zinc/11/69/45/135116945.db2.gz LMTAIAIPRNSLKO-VXGBXAGGSA-N 2 1 238.400 2.486 20 0 BEADMP Cc1ccsc1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252891735 135116947 /nfs/dbraw/zinc/11/69/47/135116947.db2.gz LMTAIAIPRNSLKO-VXGBXAGGSA-N 2 1 238.400 2.486 20 0 BEADMP CSCC[C@@H](C)[N@H+](C)C[C@H]([NH3+])CC(C)C ZINC000253065655 135120467 /nfs/dbraw/zinc/12/04/67/135120467.db2.gz INPGAKYWWZJVDG-VXGBXAGGSA-N 2 1 232.437 2.433 20 0 BEADMP CSCC[C@@H](C)[N@@H+](C)C[C@H]([NH3+])CC(C)C ZINC000253065655 135120469 /nfs/dbraw/zinc/12/04/69/135120469.db2.gz INPGAKYWWZJVDG-VXGBXAGGSA-N 2 1 232.437 2.433 20 0 BEADMP COc1ccc(C[N@H+](CC[NH3+])[C@@H](C)C2CC2)cc1 ZINC000263081634 135124365 /nfs/dbraw/zinc/12/43/65/135124365.db2.gz XPVALXFQDDOZOH-LBPRGKRZSA-N 2 1 248.370 2.254 20 0 BEADMP COc1ccc(C[N@@H+](CC[NH3+])[C@@H](C)C2CC2)cc1 ZINC000263081634 135124366 /nfs/dbraw/zinc/12/43/66/135124366.db2.gz XPVALXFQDDOZOH-LBPRGKRZSA-N 2 1 248.370 2.254 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000078461825 135124435 /nfs/dbraw/zinc/12/44/35/135124435.db2.gz VTXXOWLPZZMUED-YRGRVCCFSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000253278759 135125389 /nfs/dbraw/zinc/12/53/89/135125389.db2.gz JSPHJAIIQVNIML-PJIALRRASA-N 2 1 222.376 2.390 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000253278762 135125642 /nfs/dbraw/zinc/12/56/42/135125642.db2.gz JSPHJAIIQVNIML-YJBUHQLJSA-N 2 1 222.376 2.390 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c(C)c1 ZINC000258769536 135134287 /nfs/dbraw/zinc/13/42/87/135134287.db2.gz AZWOYXUAUQZFNZ-ZIAGYGMSSA-N 2 1 218.344 2.273 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257641456 135137263 /nfs/dbraw/zinc/13/72/63/135137263.db2.gz BAOVWNMCWOKAGQ-CYBMUJFWSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H](c1ccccn1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257666721 135138237 /nfs/dbraw/zinc/13/82/37/135138237.db2.gz CVUABJCABQBNCF-DZGCQCFKSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@@H](c1ccccn1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257666721 135138238 /nfs/dbraw/zinc/13/82/38/135138238.db2.gz CVUABJCABQBNCF-DZGCQCFKSA-N 2 1 245.370 2.218 20 0 BEADMP C(C1CCCC1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257677583 135139189 /nfs/dbraw/zinc/13/91/89/135139189.db2.gz KCOTUYCIFPAZIO-UHFFFAOYSA-N 2 1 222.376 2.252 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000257686248 135139200 /nfs/dbraw/zinc/13/92/00/135139200.db2.gz MHJQGNBHBHBNPT-MRXNPFEDSA-N 2 1 244.382 2.489 20 0 BEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257690568 135139532 /nfs/dbraw/zinc/13/95/32/135139532.db2.gz JBACJOGWDMWQSV-DZGCQCFKSA-N 2 1 230.355 2.433 20 0 BEADMP C[NH2+]CCC[N@H+](C)Cc1ccc(SC)cc1 ZINC000087472220 135142870 /nfs/dbraw/zinc/14/28/70/135142870.db2.gz HISDMPOCLBBEJX-UHFFFAOYSA-N 2 1 238.400 2.450 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(SC)cc1 ZINC000087472220 135142873 /nfs/dbraw/zinc/14/28/73/135142873.db2.gz HISDMPOCLBBEJX-UHFFFAOYSA-N 2 1 238.400 2.450 20 0 BEADMP CC(C)([NH3+])C[NH2+][C@H]1CCCc2sccc21 ZINC000261529490 135155987 /nfs/dbraw/zinc/15/59/87/135155987.db2.gz AVNWPFXGGGNOQR-JTQLQIEISA-N 2 1 224.373 2.452 20 0 BEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC1CCCC1 ZINC000261531588 135160792 /nfs/dbraw/zinc/16/07/92/135160792.db2.gz HEGSHJVHWVDGEM-DGCLKSJQSA-N 2 1 210.365 2.236 20 0 BEADMP CC(C)(C)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261532246 135162216 /nfs/dbraw/zinc/16/22/16/135162216.db2.gz JTHYWZKNPJBADQ-QJPTWQEYSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCC2CC2)CC[NH2+]1 ZINC000261533289 135164877 /nfs/dbraw/zinc/16/48/77/135164877.db2.gz KQAGFIPUOKFHDR-YPMHNXCESA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCS1 ZINC000261533414 135165245 /nfs/dbraw/zinc/16/52/45/135165245.db2.gz IHCGJTOYNRXHTN-JHJVBQTASA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000261533800 135166076 /nfs/dbraw/zinc/16/60/76/135166076.db2.gz LFHCVPGZQVEYMQ-UPJWGTAASA-N 2 1 210.365 2.154 20 0 BEADMP CC[C@@H](c1ccccc1)[N@H+](CC)CC[NH3+] ZINC000261534845 135167930 /nfs/dbraw/zinc/16/79/30/135167930.db2.gz NENACCIAACYDOG-ZDUSSCGKSA-N 2 1 206.333 2.418 20 0 BEADMP CC[C@@H](c1ccccc1)[N@@H+](CC)CC[NH3+] ZINC000261534845 135167932 /nfs/dbraw/zinc/16/79/32/135167932.db2.gz NENACCIAACYDOG-ZDUSSCGKSA-N 2 1 206.333 2.418 20 0 BEADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000261536968 135172662 /nfs/dbraw/zinc/17/26/62/135172662.db2.gz UJVVCECLNZAVRX-WPRPVWTQSA-N 2 1 244.791 2.489 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000261538899 135177155 /nfs/dbraw/zinc/17/71/55/135177155.db2.gz ZSWPITWONYNDLQ-TUAOUCFPSA-N 2 1 206.333 2.381 20 0 BEADMP Cc1cc(C)c(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1C ZINC000261539576 135177933 /nfs/dbraw/zinc/17/79/33/135177933.db2.gz AAVRBUQDCBTXEC-UKRRQHHQSA-N 2 1 232.371 2.391 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1C ZINC000261539576 135177935 /nfs/dbraw/zinc/17/79/35/135177935.db2.gz AAVRBUQDCBTXEC-UKRRQHHQSA-N 2 1 232.371 2.391 20 0 BEADMP C[C@@H]1CC[C@@H](C)[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000084048149 135178902 /nfs/dbraw/zinc/17/89/02/135178902.db2.gz OURFWNYDKLTFAK-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H](c1ccncc1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261541670 135181912 /nfs/dbraw/zinc/18/19/12/135181912.db2.gz LUNNIFRTPGFKIL-STQMWFEESA-N 2 1 233.359 2.074 20 0 BEADMP C[C@@H](c1ccncc1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261541670 135181914 /nfs/dbraw/zinc/18/19/14/135181914.db2.gz LUNNIFRTPGFKIL-STQMWFEESA-N 2 1 233.359 2.074 20 0 BEADMP Cc1ccc(C[NH2+][C@](C)(C[NH3+])C(C)C)c(C)n1 ZINC000261543334 135183889 /nfs/dbraw/zinc/18/38/89/135183889.db2.gz CWRXSYRWDWCSPW-CQSZACIVSA-N 2 1 235.375 2.161 20 0 BEADMP C[C@H](c1cccnc1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261544399 135185663 /nfs/dbraw/zinc/18/56/63/135185663.db2.gz XUEFFTWWMYPORX-OLZOCXBDSA-N 2 1 233.359 2.074 20 0 BEADMP C[C@H](c1cccnc1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261544399 135185664 /nfs/dbraw/zinc/18/56/64/135185664.db2.gz XUEFFTWWMYPORX-OLZOCXBDSA-N 2 1 233.359 2.074 20 0 BEADMP c1ccc2cc(CC[NH2+][C@@H]3CC[NH2+]C3)ccc2c1 ZINC000259206729 135186624 /nfs/dbraw/zinc/18/66/24/135186624.db2.gz XBPOOWNYCLDLDR-MRXNPFEDSA-N 2 1 240.350 2.334 20 0 BEADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCCC12CCC2 ZINC000261548857 135187893 /nfs/dbraw/zinc/18/78/93/135187893.db2.gz NYSMREDTCMIVQB-LBPRGKRZSA-N 2 1 208.349 2.005 20 0 BEADMP CCS[C@@H]1CCCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261548640 135187950 /nfs/dbraw/zinc/18/79/50/135187950.db2.gz NSKKUGNIQROTIS-LLVKDONJSA-N 2 1 230.421 2.331 20 0 BEADMP Cc1ncsc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000084149536 135188454 /nfs/dbraw/zinc/18/84/54/135188454.db2.gz MYGYFDWLGYLNFM-MWLCHTKSSA-N 2 1 239.388 2.011 20 0 BEADMP C[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC000261550988 135190089 /nfs/dbraw/zinc/19/00/89/135190089.db2.gz LRQUZASCMFDBTJ-ZQDZILKHSA-N 2 1 236.403 2.497 20 0 BEADMP CC1CCC(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000261550951 135190432 /nfs/dbraw/zinc/19/04/32/135190432.db2.gz LQDLKCGVTBUCIF-QXRZNBQRSA-N 2 1 236.403 2.482 20 0 BEADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](N)C2)C1 ZINC000261555767 135195697 /nfs/dbraw/zinc/19/56/97/135195697.db2.gz VGSDJIONGWUPKW-FRRDWIJNSA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H]([NH3+])C2)C1 ZINC000261555767 135195698 /nfs/dbraw/zinc/19/56/98/135195698.db2.gz VGSDJIONGWUPKW-FRRDWIJNSA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@H]1CCC[C@@H](C[N@H+]2CC[C@H](N)C2)C1 ZINC000261555771 135195711 /nfs/dbraw/zinc/19/57/11/135195711.db2.gz VGSDJIONGWUPKW-XQQFMLRXSA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@H]1CCC[C@@H](C[N@@H+]2CC[C@H]([NH3+])C2)C1 ZINC000261555771 135195712 /nfs/dbraw/zinc/19/57/12/135195712.db2.gz VGSDJIONGWUPKW-XQQFMLRXSA-N 2 1 210.365 2.236 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000261556317 135196064 /nfs/dbraw/zinc/19/60/64/135196064.db2.gz BWSNHHYCPGYUKB-XHSDSOJGSA-N 2 1 244.382 2.473 20 0 BEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000261558459 135199503 /nfs/dbraw/zinc/19/95/03/135199503.db2.gz SLNQRXWESAVHCL-NOZJJQNGSA-N 2 1 240.297 2.052 20 0 BEADMP Cc1ccccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261561709 135202905 /nfs/dbraw/zinc/20/29/05/135202905.db2.gz VRTWUIFDHCVLAI-UKRRQHHQSA-N 2 1 230.355 2.036 20 0 BEADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])c1 ZINC000261562570 135204333 /nfs/dbraw/zinc/20/43/33/135204333.db2.gz GMVJIAGOCANKOA-VWYCJHECSA-N 2 1 249.358 2.031 20 0 BEADMP COc1cccc([C@@H](C)[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000261563962 135206324 /nfs/dbraw/zinc/20/63/24/135206324.db2.gz HDIKRDYLWVKQSC-DOMZBBRYSA-N 2 1 248.370 2.427 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261564735 135206756 /nfs/dbraw/zinc/20/67/56/135206756.db2.gz HLFFRXGXANSTNY-GLQYFDAESA-N 2 1 248.345 2.303 20 0 BEADMP Cc1ccccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261566584 135208959 /nfs/dbraw/zinc/20/89/59/135208959.db2.gz ZDDYZVFSBJPZBM-SOUVJXGZSA-N 2 1 230.355 2.164 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCCC1 ZINC000163886562 135209820 /nfs/dbraw/zinc/20/98/20/135209820.db2.gz VRWGALLVCHJGQC-LLVKDONJSA-N 2 1 221.348 2.360 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC000084329946 135211268 /nfs/dbraw/zinc/21/12/68/135211268.db2.gz WMZGVHCKQCBDFF-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP Cc1cccc(OCC[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000261569772 135212458 /nfs/dbraw/zinc/21/24/58/135212458.db2.gz KAKIRISKHGLNAC-HNNXBMFYSA-N 2 1 248.370 2.045 20 0 BEADMP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)C1CCCC1 ZINC000261571347 135212771 /nfs/dbraw/zinc/21/27/71/135212771.db2.gz HMQJUTVSHNCZPV-ZIAGYGMSSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H]1CCCC[C@H]1[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000084385442 135217960 /nfs/dbraw/zinc/21/79/60/135217960.db2.gz OTVUZVBOQLUANX-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)C[N@@H+](CC[C@@H]1CC[NH2+]C1)C(C)C ZINC000084385405 135218198 /nfs/dbraw/zinc/21/81/98/135218198.db2.gz KZRZTLCPRCZAAL-ZDUSSCGKSA-N 2 1 212.381 2.352 20 0 BEADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)C(C1CC1)C1CC1 ZINC000261577656 135219029 /nfs/dbraw/zinc/21/90/29/135219029.db2.gz LGXIMFKLTFMVRH-NSHDSACASA-N 2 1 222.376 2.106 20 0 BEADMP C[C@H](c1ccccc1F)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261582414 135223115 /nfs/dbraw/zinc/22/31/15/135223115.db2.gz REAGFVITWXEQCO-UPJWGTAASA-N 2 1 248.345 2.428 20 0 BEADMP C[C@H](c1ccccc1F)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261582414 135223116 /nfs/dbraw/zinc/22/31/16/135223116.db2.gz REAGFVITWXEQCO-UPJWGTAASA-N 2 1 248.345 2.428 20 0 BEADMP CCc1nc(N[C@@H]2CCCC[C@H]2C[NH3+])cc(C)[nH+]1 ZINC000261584598 135225770 /nfs/dbraw/zinc/22/57/70/135225770.db2.gz SKDZXNRBAIDBIK-NWDGAFQWSA-N 2 1 248.374 2.277 20 0 BEADMP COc1cccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])c1 ZINC000261585508 135226859 /nfs/dbraw/zinc/22/68/59/135226859.db2.gz QMVJCYFCQVMRML-AXFHLTTASA-N 2 1 222.332 2.082 20 0 BEADMP C[C@H]1CC[C@]2(CC[N@@H+](CC(C)(C)[NH3+])C2)C1 ZINC000261589645 135230043 /nfs/dbraw/zinc/23/00/43/135230043.db2.gz UAABZOQFBFNGIW-AAEUAGOBSA-N 2 1 210.365 2.236 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261589785 135230356 /nfs/dbraw/zinc/23/03/56/135230356.db2.gz WMYTWLLGLFKGKP-CVEARBPZSA-N 2 1 244.382 2.487 20 0 BEADMP Cc1ccc(F)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261591018 135231875 /nfs/dbraw/zinc/23/18/75/135231875.db2.gz XJACCEMKZAKCRO-LNSITVRQSA-N 2 1 248.345 2.303 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@@H+](C)C2CC[NH2+]CC2)C1 ZINC000261592012 135232406 /nfs/dbraw/zinc/23/24/06/135232406.db2.gz VQTSRFLOSWNUPG-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1F ZINC000261592131 135232419 /nfs/dbraw/zinc/23/24/19/135232419.db2.gz YIEBXURHNIYXSA-YDHLFZDLSA-N 2 1 248.345 2.303 20 0 BEADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1 ZINC000261595243 135235059 /nfs/dbraw/zinc/23/50/59/135235059.db2.gz XYPPYPWYMRTMSQ-LLVKDONJSA-N 2 1 204.317 2.219 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1F ZINC000261594615 135235225 /nfs/dbraw/zinc/23/52/25/135235225.db2.gz ZZYYJMFJFWPQCV-DZGCQCFKSA-N 2 1 248.345 2.318 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1F ZINC000261594615 135235226 /nfs/dbraw/zinc/23/52/26/135235226.db2.gz ZZYYJMFJFWPQCV-DZGCQCFKSA-N 2 1 248.345 2.318 20 0 BEADMP C(C1CCCCC1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261597533 135237041 /nfs/dbraw/zinc/23/70/41/135237041.db2.gz ZEUMRFFJIRUTRN-UONOGXRCSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)CC12CCC2 ZINC000261642216 135242891 /nfs/dbraw/zinc/24/28/91/135242891.db2.gz AHGYSNVKLMGUGY-CYBMUJFWSA-N 2 1 236.403 2.498 20 0 BEADMP COc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1C ZINC000261644287 135242946 /nfs/dbraw/zinc/24/29/46/135242946.db2.gz AMBUYKXAVCXQEB-TZMCWYRMSA-N 2 1 248.370 2.173 20 0 BEADMP C[C@H]1CCC[C@@H](CC[N@H+]2CCC[NH2+]CC2)C1 ZINC000078806689 135243233 /nfs/dbraw/zinc/24/32/33/135243233.db2.gz WYCZOPFJAUQWGY-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(N)c2)CC[N@@H+]1C ZINC000261613994 135244630 /nfs/dbraw/zinc/24/46/30/135244630.db2.gz APCUMVYQUZTZOP-WFASDCNBSA-N 2 1 247.386 2.183 20 0 BEADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(N)c2)CC[N@H+]1C ZINC000261613994 135244632 /nfs/dbraw/zinc/24/46/32/135244632.db2.gz APCUMVYQUZTZOP-WFASDCNBSA-N 2 1 247.386 2.183 20 0 BEADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(N)c2)CC[NH+]1C ZINC000261613994 135244633 /nfs/dbraw/zinc/24/46/33/135244633.db2.gz APCUMVYQUZTZOP-WFASDCNBSA-N 2 1 247.386 2.183 20 0 BEADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(N)c2)CC[NH+]1C ZINC000261613994 135244635 /nfs/dbraw/zinc/24/46/35/135244635.db2.gz APCUMVYQUZTZOP-WFASDCNBSA-N 2 1 247.386 2.183 20 0 BEADMP C[C@H]1CC2(CCC2)C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261749101 135250130 /nfs/dbraw/zinc/25/01/30/135250130.db2.gz LRJOZIXNYFPQDR-QWHCGFSZSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H]1CC2(CCC2)C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261749100 135250185 /nfs/dbraw/zinc/25/01/85/135250185.db2.gz LRJOZIXNYFPQDR-OLZOCXBDSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@]1(C[NH3+])CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000261815871 135255446 /nfs/dbraw/zinc/25/54/46/135255446.db2.gz PCMFQBMUHYHXNT-LSDHHAIUSA-N 2 1 248.345 2.484 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CC[C@@H](F)C1 ZINC000342293532 135256576 /nfs/dbraw/zinc/25/65/76/135256576.db2.gz GWJBURKIVBFIGD-NEPJUHHUSA-N 2 1 237.322 2.128 20 0 BEADMP Cn1cccc1[C@@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261867954 135258537 /nfs/dbraw/zinc/25/85/37/135258537.db2.gz OGEBFWIOUGWAFJ-LSDHHAIUSA-N 2 1 247.386 2.162 20 0 BEADMP CC(C)[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261982469 135269391 /nfs/dbraw/zinc/26/93/91/135269391.db2.gz RNYHWSMDDPKJTN-ZIAGYGMSSA-N 2 1 224.392 2.354 20 0 BEADMP CC(C)[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261982464 135269968 /nfs/dbraw/zinc/26/99/68/135269968.db2.gz RNYHWSMDDPKJTN-KGLIPLIRSA-N 2 1 224.392 2.354 20 0 BEADMP C(C1CC[NH2+]CC1)[N@H+]1CCCC2(CCC2)C1 ZINC000262003631 135271405 /nfs/dbraw/zinc/27/14/05/135271405.db2.gz UHFPTHRHTQHPBD-UHFFFAOYSA-N 2 1 222.376 2.252 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3CCC[C@H]32)CC[NH2+]1 ZINC000262013527 135272714 /nfs/dbraw/zinc/27/27/14/135272714.db2.gz UZPGLQJZOLKUSJ-AAVRWANBSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@@H](C)C1 ZINC000262018963 135272893 /nfs/dbraw/zinc/27/28/93/135272893.db2.gz MZAIOAJVQDWRDN-HZSPNIEDSA-N 2 1 224.392 2.354 20 0 BEADMP CCc1cccc(F)c1C[NH+]1CCC([NH3+])CC1 ZINC000262035732 135275178 /nfs/dbraw/zinc/27/51/78/135275178.db2.gz XRCRNIQZIHWVIK-UHFFFAOYSA-N 2 1 236.334 2.311 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000262033416 135275251 /nfs/dbraw/zinc/27/52/51/135275251.db2.gz XKPOAMOZFVKAQV-UQOMUDLDSA-N 2 1 230.355 2.069 20 0 BEADMP C[C@@H]1C[C@H]1C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000262033416 135275253 /nfs/dbraw/zinc/27/52/53/135275253.db2.gz XKPOAMOZFVKAQV-UQOMUDLDSA-N 2 1 230.355 2.069 20 0 BEADMP C[C@]1(C[N@@H+]2CCc3ccsc3C2)CC[NH2+]C1 ZINC000262123881 135280289 /nfs/dbraw/zinc/28/02/89/135280289.db2.gz XOKFTMOVISQCHU-ZDUSSCGKSA-N 2 1 236.384 2.106 20 0 BEADMP C[C@]1(C[N@H+]2CCc3ccsc3C2)CC[NH2+]C1 ZINC000262123881 135280291 /nfs/dbraw/zinc/28/02/91/135280291.db2.gz XOKFTMOVISQCHU-ZDUSSCGKSA-N 2 1 236.384 2.106 20 0 BEADMP Cc1cc([C@H]2CCC[N@@H+]2C[C@@]2(C)CC[NH2+]C2)on1 ZINC000262132029 135280934 /nfs/dbraw/zinc/28/09/34/135280934.db2.gz YHMVXSOPXSZHOR-OCCSQVGLSA-N 2 1 249.358 2.120 20 0 BEADMP Cc1cc([C@H]2CCC[N@H+]2C[C@@]2(C)CC[NH2+]C2)on1 ZINC000262132029 135280936 /nfs/dbraw/zinc/28/09/36/135280936.db2.gz YHMVXSOPXSZHOR-OCCSQVGLSA-N 2 1 249.358 2.120 20 0 BEADMP CC(C)C[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262149958 135282345 /nfs/dbraw/zinc/28/23/45/135282345.db2.gz ZVCRQDHQDAAVBI-KBPBESRZSA-N 2 1 224.392 2.354 20 0 BEADMP Cc1nccn1CC[N@@H+]1CCC[C@@H](C)CC1 ZINC000334168193 135324291 /nfs/dbraw/zinc/32/42/91/135324291.db2.gz ALCFZQNYJBNXBH-GFCCVEGCSA-N 2 1 221.348 2.314 20 0 BEADMP CC(C)CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334225415 135329734 /nfs/dbraw/zinc/32/97/34/135329734.db2.gz DLYXZLZNDGOUAL-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CC(C)CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334225415 135329736 /nfs/dbraw/zinc/32/97/36/135329736.db2.gz DLYXZLZNDGOUAL-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CC(C)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000334225415 135329738 /nfs/dbraw/zinc/32/97/38/135329738.db2.gz DLYXZLZNDGOUAL-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CCC(CC)C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000299893311 135381452 /nfs/dbraw/zinc/38/14/52/135381452.db2.gz KBMZFPYRLFLGLF-OLZOCXBDSA-N 2 1 210.365 2.106 20 0 BEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2CCC2)C1 ZINC000081517052 135387094 /nfs/dbraw/zinc/38/70/94/135387094.db2.gz URSXZUDFLCDMCE-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC2CCC2)C1 ZINC000081517052 135387096 /nfs/dbraw/zinc/38/70/96/135387096.db2.gz URSXZUDFLCDMCE-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC000081517052 135387098 /nfs/dbraw/zinc/38/70/98/135387098.db2.gz URSXZUDFLCDMCE-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CC[N@@H+](CC1CC[NH2+]CC1)[C@@H](C)C(C)C ZINC000086701838 135495037 /nfs/dbraw/zinc/49/50/37/135495037.db2.gz UBJFXSYGIPQGHO-LBPRGKRZSA-N 2 1 212.381 2.352 20 0 BEADMP [NH3+]C1(C[NH2+][C@H]2CCCc3ccc(O)cc32)CCC1 ZINC000335026133 135867634 /nfs/dbraw/zinc/86/76/34/135867634.db2.gz XLHXKJLZDGIZEW-AWEZNQCLSA-N 2 1 246.354 2.241 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC12CCC2 ZINC000335311880 136030043 /nfs/dbraw/zinc/03/00/43/136030043.db2.gz NYEDWNKQLHDRBK-ZDUSSCGKSA-N 2 1 222.376 2.489 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC12CCC2 ZINC000335311880 136030044 /nfs/dbraw/zinc/03/00/44/136030044.db2.gz NYEDWNKQLHDRBK-ZDUSSCGKSA-N 2 1 222.376 2.489 20 0 BEADMP CC(C)CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335321077 136049843 /nfs/dbraw/zinc/04/98/43/136049843.db2.gz KMOFQYPFKBCJBA-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP CC(C)CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335321077 136049844 /nfs/dbraw/zinc/04/98/44/136049844.db2.gz KMOFQYPFKBCJBA-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP CC(C)CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335321077 136049845 /nfs/dbraw/zinc/04/98/45/136049845.db2.gz KMOFQYPFKBCJBA-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2C(F)F)[C@H]2CCC[C@@H]21 ZINC000348253791 136057169 /nfs/dbraw/zinc/05/71/69/136057169.db2.gz FNDHLNSTAPQOMF-IIRVCBMXSA-N 2 1 244.329 2.102 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2C(F)F)[C@@H]2CCC[C@@H]21 ZINC000348253793 136057457 /nfs/dbraw/zinc/05/74/57/136057457.db2.gz FNDHLNSTAPQOMF-NGDQXYMTSA-N 2 1 244.329 2.102 20 0 BEADMP Cc1ccc(CCC[N@H+](C)[C@@H]2CCC[C@@H]2O)cn1 ZINC000348555558 136096374 /nfs/dbraw/zinc/09/63/74/136096374.db2.gz NTOFFSZYHYZUQL-CABCVRRESA-N 2 1 248.370 2.168 20 0 BEADMP Cc1ccc(CCC[N@H+](C)[C@@H]2CCC[C@H]2O)cn1 ZINC000348555560 136096450 /nfs/dbraw/zinc/09/64/50/136096450.db2.gz NTOFFSZYHYZUQL-HUUCEWRRSA-N 2 1 248.370 2.168 20 0 BEADMP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CC[NH3+] ZINC000335564028 136107055 /nfs/dbraw/zinc/10/70/55/136107055.db2.gz JSHBJOZTBRXTJT-CMPLNLGQSA-N 2 1 204.317 2.092 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]CC[NH3+])c2sccc21 ZINC000335570043 136109513 /nfs/dbraw/zinc/10/95/13/136109513.db2.gz YCUMRTRLZMSQEX-WCBMZHEXSA-N 2 1 210.346 2.235 20 0 BEADMP CC[C@@H](C)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335571541 136109886 /nfs/dbraw/zinc/10/98/86/136109886.db2.gz FLVRDMSGMPPFBC-OLZOCXBDSA-N 2 1 210.365 2.060 20 0 BEADMP CC[C@@H](C)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335571541 136109887 /nfs/dbraw/zinc/10/98/87/136109887.db2.gz FLVRDMSGMPPFBC-OLZOCXBDSA-N 2 1 210.365 2.060 20 0 BEADMP C[C@H]1CCC[N@H+](Cc2ccns2)[C@H]1CC[NH3+] ZINC000405215633 397749950 /nfs/dbraw/zinc/74/99/50/397749950.db2.gz JWAOIBJFRFSWBB-JQWIXIFHSA-N 2 1 239.388 2.092 20 0 BEADMP C[C@H]1CCC[N@@H+](Cc2ccns2)[C@H]1CC[NH3+] ZINC000405215633 397749955 /nfs/dbraw/zinc/74/99/55/397749955.db2.gz JWAOIBJFRFSWBB-JQWIXIFHSA-N 2 1 239.388 2.092 20 0 BEADMP C[C@@H]1CCC[N@H+](Cc2ccns2)[C@H]1CC[NH3+] ZINC000405215634 397750024 /nfs/dbraw/zinc/75/00/24/397750024.db2.gz JWAOIBJFRFSWBB-PWSUYJOCSA-N 2 1 239.388 2.092 20 0 BEADMP C[C@@H]1CCC[N@@H+](Cc2ccns2)[C@H]1CC[NH3+] ZINC000405215634 397750025 /nfs/dbraw/zinc/75/00/25/397750025.db2.gz JWAOIBJFRFSWBB-PWSUYJOCSA-N 2 1 239.388 2.092 20 0 BEADMP C[NH+](C)CCC[NH2+][C@@H]1CCCc2occc21 ZINC000169190534 397810131 /nfs/dbraw/zinc/81/01/31/397810131.db2.gz ZBYIPMUEWXYDHC-GFCCVEGCSA-N 2 1 222.332 2.198 20 0 BEADMP C[C@@H](CC1CC1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121270 397800797 /nfs/dbraw/zinc/80/07/97/397800797.db2.gz SBWSGUJIOLOLOM-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccnc1 ZINC000624122435 397807058 /nfs/dbraw/zinc/80/70/58/397807058.db2.gz REHMAMMHZLHWPE-KGLIPLIRSA-N 2 1 247.386 2.464 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccnc1 ZINC000624122435 397807060 /nfs/dbraw/zinc/80/70/60/397807060.db2.gz REHMAMMHZLHWPE-KGLIPLIRSA-N 2 1 247.386 2.464 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCSCC1 ZINC000161585449 397745741 /nfs/dbraw/zinc/74/57/41/397745741.db2.gz NGMYNWHOPGQRMU-NTZNESFSSA-N 2 1 242.432 2.200 20 0 BEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000178828530 397849282 /nfs/dbraw/zinc/84/92/82/397849282.db2.gz HVHHOXYVTGGQBP-OAHLLOKOSA-N 2 1 249.402 2.472 20 0 BEADMP CC(C)=CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000309101981 397851186 /nfs/dbraw/zinc/85/11/86/397851186.db2.gz GGCCJUQHYBKFPF-QWHCGFSZSA-N 2 1 210.365 2.415 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000388106822 397871682 /nfs/dbraw/zinc/87/16/82/397871682.db2.gz XVXHKKGSJKJTOS-RFGFWPKPSA-N 2 1 222.376 2.249 20 0 BEADMP CSCC[C@H](C)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000156881998 397927218 /nfs/dbraw/zinc/92/72/18/397927218.db2.gz SHEVVPZFANWOON-NWDGAFQWSA-N 2 1 230.421 2.059 20 0 BEADMP Cc1occc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000414381770 397919570 /nfs/dbraw/zinc/91/95/70/397919570.db2.gz MVDGZSOSNBFSPZ-UHFFFAOYSA-N 2 1 236.359 2.362 20 0 BEADMP CC[C@@](C)(C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)OC ZINC000637929434 398044233 /nfs/dbraw/zinc/04/42/33/398044233.db2.gz ADWHLXJXDRJUGB-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP CC[C@@](C)(C[NH+](C)C[C@H]1CCC[N@H+](C)C1)OC ZINC000637929434 398044234 /nfs/dbraw/zinc/04/42/34/398044234.db2.gz ADWHLXJXDRJUGB-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP CC[C@@](C)(C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)OC ZINC000637929434 398044235 /nfs/dbraw/zinc/04/42/35/398044235.db2.gz ADWHLXJXDRJUGB-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP C[NH2+]CC[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000414823278 398046691 /nfs/dbraw/zinc/04/66/91/398046691.db2.gz IAABQWWPNDSRMP-JTQLQIEISA-N 2 1 226.751 2.080 20 0 BEADMP C(C1CCCC1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414777369 398035686 /nfs/dbraw/zinc/03/56/86/398035686.db2.gz IENQWQOEBYKJOS-CABCVRRESA-N 2 1 236.403 2.498 20 0 BEADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(F)cc1 ZINC000414817809 398042214 /nfs/dbraw/zinc/04/22/14/398042214.db2.gz TXQRKWLOVMCBKN-ZDUSSCGKSA-N 2 1 224.323 2.433 20 0 BEADMP COc1ccc(C[NH2+][C@H](C[NH3+])CC(C)C)cc1 ZINC000414855294 398064220 /nfs/dbraw/zinc/06/42/20/398064220.db2.gz WQKAAEFZCTXSTR-ZDUSSCGKSA-N 2 1 236.359 2.158 20 0 BEADMP CC[C@H](C)C[NH2+]CC[N@H+](C)[C@@H](C)CC ZINC000093066882 398094274 /nfs/dbraw/zinc/09/42/74/398094274.db2.gz XCQIAPJQSUNJRJ-RYUDHWBXSA-N 2 1 200.370 2.352 20 0 BEADMP CC[C@H](C)C[NH2+]CC[N@@H+](C)[C@@H](C)CC ZINC000093066882 398094275 /nfs/dbraw/zinc/09/42/75/398094275.db2.gz XCQIAPJQSUNJRJ-RYUDHWBXSA-N 2 1 200.370 2.352 20 0 BEADMP CC[NH2+]CC[NH2+]C[C@@H]1CCC[C@@H](CC)C1 ZINC000414829856 398051557 /nfs/dbraw/zinc/05/15/57/398051557.db2.gz NIIDKYNDRPNDMN-CHWSQXEVSA-N 2 1 212.381 2.402 20 0 BEADMP Cc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])s1 ZINC000086637125 398056392 /nfs/dbraw/zinc/05/63/92/398056392.db2.gz YSRJMGFMRAZIHD-UHFFFAOYSA-N 2 1 226.389 2.473 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]C1(C2CCC2)CC1 ZINC000649810656 398117074 /nfs/dbraw/zinc/11/70/74/398117074.db2.gz UFMMSWGXJRHZQE-UHFFFAOYSA-N 2 1 219.332 2.114 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000258839816 398131653 /nfs/dbraw/zinc/13/16/53/398131653.db2.gz DQXSLOCYGNMMBT-NEPJUHHUSA-N 2 1 242.725 2.449 20 0 BEADMP CC[C@@H]1C[N@@H+](CC2(C)CCC2)CC[C@H]1[NH3+] ZINC000389693482 398125490 /nfs/dbraw/zinc/12/54/90/398125490.db2.gz IFOAPNIPAXYCBQ-VXGBXAGGSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccoc1 ZINC000087289593 322874749 /nfs/dbraw/zinc/87/47/49/322874749.db2.gz WYZSYKXOYIWDRN-GFCCVEGCSA-N 2 1 222.332 2.416 20 0 BEADMP C[NH2+]CCC[N@@H+](C)CCC(C)(C)C1CC1 ZINC000405944832 487585253 /nfs/dbraw/zinc/58/52/53/487585253.db2.gz BJIFPNBOTYWDQV-UHFFFAOYSA-N 2 1 212.381 2.354 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CS[C@H](C)C2)C1 ZINC000086935458 487593554 /nfs/dbraw/zinc/59/35/54/487593554.db2.gz XNXSLOZZELLKER-AGIUHOORSA-N 2 1 242.432 2.200 20 0 BEADMP CC(C)SCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368312766 167326296 /nfs/dbraw/zinc/32/62/96/167326296.db2.gz AMGPWAZNQFIGRV-ZDUSSCGKSA-N 2 1 242.432 2.156 20 0 BEADMP CC(C)SCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368312766 167326300 /nfs/dbraw/zinc/32/63/00/167326300.db2.gz AMGPWAZNQFIGRV-ZDUSSCGKSA-N 2 1 242.432 2.156 20 0 BEADMP CN[C@@H]1CC[N@@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC000662241495 409529227 /nfs/dbraw/zinc/52/92/27/409529227.db2.gz SVVNVBBRAKCRQS-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662246138 409542022 /nfs/dbraw/zinc/54/20/22/409542022.db2.gz PUWOFEAAWOKKDJ-ZFWWWQNUSA-N 2 1 244.382 2.387 20 0 BEADMP CO[C@H](C[N@@H+](C)CC(C)(C)C[NH3+])C1CCCC1 ZINC000662247903 409544106 /nfs/dbraw/zinc/54/41/06/409544106.db2.gz ODKGBZMWEAJDTE-CYBMUJFWSA-N 2 1 242.407 2.108 20 0 BEADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000662318401 409636635 /nfs/dbraw/zinc/63/66/35/409636635.db2.gz ZQUHWOWGAVSRIQ-ZFWWWQNUSA-N 2 1 236.403 2.498 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000662272876 409578315 /nfs/dbraw/zinc/57/83/15/409578315.db2.gz JNKHIPRRSUWAOL-ZYHUDNBSSA-N 2 1 234.334 2.339 20 0 BEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCC1CCC1 ZINC000662277276 409593020 /nfs/dbraw/zinc/59/30/20/409593020.db2.gz PBXQIHOCZBZPLH-NTZNESFSSA-N 2 1 210.365 2.153 20 0 BEADMP CO[C@H](C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C)C1CCCC1 ZINC000662284285 409614374 /nfs/dbraw/zinc/61/43/74/409614374.db2.gz MJIRHMJSRGEEBY-MRVWCRGKSA-N 2 1 240.391 2.003 20 0 BEADMP C[N@@H+](Cc1ccsc1)[C@H]1CCC[NH2+]CC1 ZINC000082666688 409849331 /nfs/dbraw/zinc/84/93/31/409849331.db2.gz XBTOOQXNGAWESU-LBPRGKRZSA-N 2 1 224.373 2.322 20 0 BEADMP CNC[C@@H]1CCC[N@H+]1C[C@@H](C)C(C)(C)C ZINC000308839763 409910817 /nfs/dbraw/zinc/91/08/17/409910817.db2.gz YDDJHKAXMUKQCY-NEPJUHHUSA-N 2 1 212.381 2.352 20 0 BEADMP c1ccc([C@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000227200874 487612898 /nfs/dbraw/zinc/61/28/98/487612898.db2.gz GVPORTGQBXZZQJ-ZFWWWQNUSA-N 2 1 230.355 2.085 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc2c1CCC2 ZINC000650703638 410332533 /nfs/dbraw/zinc/33/25/33/410332533.db2.gz JXHAAOGVLLDZPG-QWRGUYRKSA-N 2 1 218.344 2.001 20 0 BEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc2c1CCC2 ZINC000650703185 410334863 /nfs/dbraw/zinc/33/48/63/410334863.db2.gz ORTMJTLUAYOFAR-OLZOCXBDSA-N 2 1 244.382 2.344 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@]3(CC3(F)F)C2)CC[NH2+]1 ZINC000650725380 410360194 /nfs/dbraw/zinc/36/01/94/410360194.db2.gz ZJNLOTMJFQCMPU-UTUOFQBUSA-N 2 1 244.329 2.106 20 0 BEADMP CO[C@H](C[N@H+]1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000393283938 410673688 /nfs/dbraw/zinc/67/36/88/410673688.db2.gz BRSKJNDFRBRNLL-HUUCEWRRSA-N 2 1 248.370 2.045 20 0 BEADMP CC(C)(C)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228533529 166580706 /nfs/dbraw/zinc/58/07/06/166580706.db2.gz WWFMSKPLNWUSJC-QJPTWQEYSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc2c1CCC2 ZINC000653280255 410633913 /nfs/dbraw/zinc/63/39/13/410633913.db2.gz JFYJTMZPIDYIJT-DOMZBBRYSA-N 2 1 244.382 2.487 20 0 BEADMP CC(C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000037482882 167101981 /nfs/dbraw/zinc/10/19/81/167101981.db2.gz OFUFOCDYQQHVQN-CYBMUJFWSA-N 2 1 212.381 2.497 20 0 BEADMP CC(C)OCCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337274614 167208199 /nfs/dbraw/zinc/20/81/99/167208199.db2.gz PWGAJSKPCLWZKS-UHFFFAOYSA-N 2 1 242.407 2.219 20 0 BEADMP CC(C)OCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000160037934 167245073 /nfs/dbraw/zinc/24/50/73/167245073.db2.gz SVGFDUBGYMKNFK-ZIAGYGMSSA-N 2 1 234.343 2.146 20 0 BEADMP CC(C)Oc1cccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000050245507 167304210 /nfs/dbraw/zinc/30/42/10/167304210.db2.gz IQNVEIYWDYYUNX-AWEZNQCLSA-N 2 1 248.370 2.254 20 0 BEADMP CC(C)Oc1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000040666735 167304813 /nfs/dbraw/zinc/30/48/13/167304813.db2.gz NBVPYJLGZWZDAN-UHFFFAOYSA-N 2 1 248.370 2.397 20 0 BEADMP CC(C)Oc1cccc(C[NH2+]CC2([NH3+])CCC2)c1 ZINC000342125185 167306544 /nfs/dbraw/zinc/30/65/44/167306544.db2.gz DBDAFGOLDYDPQE-UHFFFAOYSA-N 2 1 248.370 2.445 20 0 BEADMP CC(C)[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037485325 167381869 /nfs/dbraw/zinc/38/18/69/167381869.db2.gz SIBOLWGNPWOXSP-VXGBXAGGSA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000308700150 167386029 /nfs/dbraw/zinc/38/60/29/167386029.db2.gz URXCLIJHYGLYOJ-VXGBXAGGSA-N 2 1 200.370 2.349 20 0 BEADMP CC(C)[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000308700150 167386030 /nfs/dbraw/zinc/38/60/30/167386030.db2.gz URXCLIJHYGLYOJ-VXGBXAGGSA-N 2 1 200.370 2.349 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)[C@H]1CC1(C)C ZINC000397804445 410933710 /nfs/dbraw/zinc/93/37/10/410933710.db2.gz NBSVFRYNAWJRSG-QJPTWQEYSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H](CCCCO)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000398446647 410964746 /nfs/dbraw/zinc/96/47/46/410964746.db2.gz YUUXFDDIKKMHMZ-GXTWGEPZSA-N 2 1 242.407 2.035 20 0 BEADMP C[C@@H](c1ccncc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169532 411137197 /nfs/dbraw/zinc/13/71/97/411137197.db2.gz LNVKLPADSXMBRT-QWHCGFSZSA-N 2 1 233.359 2.203 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CSC[C@H]1C ZINC000651865230 411147625 /nfs/dbraw/zinc/14/76/25/411147625.db2.gz RDKCXAAOHKVTSR-OLZOCXBDSA-N 2 1 244.448 2.305 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@H]1CCSC1 ZINC000651865995 411147749 /nfs/dbraw/zinc/14/77/49/411147749.db2.gz PSALBMVCDLESEM-CYBMUJFWSA-N 2 1 244.448 2.307 20 0 BEADMP CC(C)CC[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000111239054 411163957 /nfs/dbraw/zinc/16/39/57/411163957.db2.gz REJACYIQMQUKGZ-LBPRGKRZSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1C[C@H]([NH+](C)CC2CC=CC2)CC[N@@H+]1C ZINC000659983609 411155354 /nfs/dbraw/zinc/15/53/54/411155354.db2.gz QZGJPEPWIFDYPT-GXTWGEPZSA-N 2 1 222.376 2.367 20 0 BEADMP C[C@H]1C[C@H]([NH+](C)CC2CC=CC2)CC[N@H+]1C ZINC000659983609 411155357 /nfs/dbraw/zinc/15/53/57/411155357.db2.gz QZGJPEPWIFDYPT-GXTWGEPZSA-N 2 1 222.376 2.367 20 0 BEADMP C[C@H]1C[C@H]([N@H+](C)CC2CC=CC2)CC[NH+]1C ZINC000659983609 411155360 /nfs/dbraw/zinc/15/53/60/411155360.db2.gz QZGJPEPWIFDYPT-GXTWGEPZSA-N 2 1 222.376 2.367 20 0 BEADMP C[C@H]1C[C@H]([N@@H+](C)CC2CC=CC2)CC[NH+]1C ZINC000659983609 411155362 /nfs/dbraw/zinc/15/53/62/411155362.db2.gz QZGJPEPWIFDYPT-GXTWGEPZSA-N 2 1 222.376 2.367 20 0 BEADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000655949010 411161691 /nfs/dbraw/zinc/16/16/91/411161691.db2.gz KFEUEVRXIMYWLY-DGCLKSJQSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)CS1 ZINC000655696811 411243133 /nfs/dbraw/zinc/24/31/33/411243133.db2.gz KVQSIFJBOVQLDB-KGYLQXTDSA-N 2 1 242.432 2.200 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)c1cccnc1 ZINC000123690158 411182547 /nfs/dbraw/zinc/18/25/47/411182547.db2.gz TZQWZXRENOMPNU-JSGCOSHPSA-N 2 1 235.375 2.448 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000123690158 411182550 /nfs/dbraw/zinc/18/25/50/411182550.db2.gz TZQWZXRENOMPNU-JSGCOSHPSA-N 2 1 235.375 2.448 20 0 BEADMP CCC(CC)[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000310035436 411195261 /nfs/dbraw/zinc/19/52/61/411195261.db2.gz TYJGDFKUSZDNHQ-NSHDSACASA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)c1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)on1 ZINC000656196002 411200533 /nfs/dbraw/zinc/20/05/33/411200533.db2.gz SAEYWZCSEQWVKD-GHMZBOCLSA-N 2 1 237.347 2.158 20 0 BEADMP CC(C)c1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)on1 ZINC000656196004 411200554 /nfs/dbraw/zinc/20/05/54/411200554.db2.gz SAEYWZCSEQWVKD-QWRGUYRKSA-N 2 1 237.347 2.158 20 0 BEADMP COC[C@@H](CC(C)(C)C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000656202126 411206379 /nfs/dbraw/zinc/20/63/79/411206379.db2.gz ZAWLJRYSQIOZLI-UPJWGTAASA-N 2 1 242.407 2.168 20 0 BEADMP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000660068737 411208896 /nfs/dbraw/zinc/20/88/96/411208896.db2.gz PVNNVDGZTIXSFY-XGUBFFRZSA-N 2 1 236.403 2.495 20 0 BEADMP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000660068737 411208897 /nfs/dbraw/zinc/20/88/97/411208897.db2.gz PVNNVDGZTIXSFY-XGUBFFRZSA-N 2 1 236.403 2.495 20 0 BEADMP CCCC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346351 411209301 /nfs/dbraw/zinc/20/93/01/411209301.db2.gz ZOZVRFAJZHSLEW-BFHYXJOUSA-N 2 1 240.391 2.005 20 0 BEADMP Cc1cc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc[nH+]1 ZINC000656226754 411212988 /nfs/dbraw/zinc/21/29/88/411212988.db2.gz OAWJTKRTNXJYQG-CABCVRRESA-N 2 1 245.370 2.241 20 0 BEADMP COCCCCC[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652355022 411214446 /nfs/dbraw/zinc/21/44/46/411214446.db2.gz MYTHCFBWJZHZNO-KBPBESRZSA-N 2 1 242.407 2.252 20 0 BEADMP Cc1nccc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000656226190 411215197 /nfs/dbraw/zinc/21/51/97/411215197.db2.gz LLZXDBHCPNDIMN-OLZOCXBDSA-N 2 1 246.358 2.214 20 0 BEADMP COCCCCC[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652355025 411215271 /nfs/dbraw/zinc/21/52/71/411215271.db2.gz MYTHCFBWJZHZNO-ZIAGYGMSSA-N 2 1 242.407 2.252 20 0 BEADMP C[C@H]1CCC[N@@H+](Cc2cccc(N)c2)[C@@H]1CC[NH3+] ZINC000652356109 411215288 /nfs/dbraw/zinc/21/52/88/411215288.db2.gz SCDOEEXXZNIFLV-SWLSCSKDSA-N 2 1 247.386 2.218 20 0 BEADMP CCCCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655684608 411226196 /nfs/dbraw/zinc/22/61/96/411226196.db2.gz RUVHTYLACDXBFU-CQSZACIVSA-N 2 1 240.391 2.020 20 0 BEADMP COc1ccc(C)cc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000049836575 411247273 /nfs/dbraw/zinc/24/72/73/411247273.db2.gz DSGJEDYPAQBIDE-UHFFFAOYSA-N 2 1 248.370 2.317 20 0 BEADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423203096 411238100 /nfs/dbraw/zinc/23/81/00/411238100.db2.gz CAQAPXMADUEHOP-OLZOCXBDSA-N 2 1 247.386 2.294 20 0 BEADMP Cc1ncc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)s1 ZINC000309790822 411238939 /nfs/dbraw/zinc/23/89/39/411238939.db2.gz UIENAJJMMDLIJJ-ZJUUUORDSA-N 2 1 241.404 2.300 20 0 BEADMP CC[N@@H+](CCCC1CC[NH2+]CC1)C1CC1 ZINC000050952529 411269570 /nfs/dbraw/zinc/26/95/70/411269570.db2.gz IIUBAYVSIIEAHG-UHFFFAOYSA-N 2 1 210.365 2.251 20 0 BEADMP C[N@@H+](CCCC1CC[NH2+]CC1)CC1CC1 ZINC000050952824 411269778 /nfs/dbraw/zinc/26/97/78/411269778.db2.gz VUOKGNZHMSJSBD-UHFFFAOYSA-N 2 1 210.365 2.108 20 0 BEADMP C[N@@H+](Cc1ccc(Cl)s1)C[C@@H]1CC[NH2+]C1 ZINC000051889979 411285592 /nfs/dbraw/zinc/28/55/92/411285592.db2.gz ORQVVDFSIDIBOR-SECBINFHSA-N 2 1 244.791 2.443 20 0 BEADMP C[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CC[NH2+]C1 ZINC000051889979 411285595 /nfs/dbraw/zinc/28/55/95/411285595.db2.gz ORQVVDFSIDIBOR-SECBINFHSA-N 2 1 244.791 2.443 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccoc2)[C@H]2CCC[C@H]21 ZINC000658196219 411289123 /nfs/dbraw/zinc/28/91/23/411289123.db2.gz CQPRCVRMHQQWNK-QLFBSQMISA-N 2 1 248.370 2.285 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccoc2)[C@@H]2CCC[C@@H]21 ZINC000658196217 411289218 /nfs/dbraw/zinc/28/92/18/411289218.db2.gz CQPRCVRMHQQWNK-KKUMJFAQSA-N 2 1 248.370 2.285 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccoc2)[C@H](C)C1 ZINC000658202202 411291450 /nfs/dbraw/zinc/29/14/50/411291450.db2.gz VGODWZBLQMKEJB-TZMCWYRMSA-N 2 1 236.359 2.142 20 0 BEADMP CCC[C@H](C)C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000309854014 411295383 /nfs/dbraw/zinc/29/53/83/411295383.db2.gz ZKLFNKJAHLBFPE-AVGNSLFASA-N 2 1 210.365 2.106 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000309854014 411295384 /nfs/dbraw/zinc/29/53/84/411295384.db2.gz ZKLFNKJAHLBFPE-AVGNSLFASA-N 2 1 210.365 2.106 20 0 BEADMP C(=C\C[N@H+]1CC[C@@H]2C[C@@H]2C1)\C[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000661965873 411332704 /nfs/dbraw/zinc/33/27/04/411332704.db2.gz BIVCCUWRKBJAHY-RANSTAHOSA-N 2 1 246.398 2.226 20 0 BEADMP Cc1ccccc1CC[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC000401763975 411323860 /nfs/dbraw/zinc/32/38/60/411323860.db2.gz FARFCSZMZQRLEE-DOMZBBRYSA-N 2 1 232.371 2.125 20 0 BEADMP CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H](C)C(C)C ZINC000659858239 411349337 /nfs/dbraw/zinc/34/93/37/411349337.db2.gz WAPHEKKIELVHOZ-ZIAGYGMSSA-N 2 1 244.423 2.054 20 0 BEADMP CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@H](C)C(C)C ZINC000659858239 411349340 /nfs/dbraw/zinc/34/93/40/411349340.db2.gz WAPHEKKIELVHOZ-ZIAGYGMSSA-N 2 1 244.423 2.054 20 0 BEADMP CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@H](C)C(C)C ZINC000659858239 411349343 /nfs/dbraw/zinc/34/93/43/411349343.db2.gz WAPHEKKIELVHOZ-ZIAGYGMSSA-N 2 1 244.423 2.054 20 0 BEADMP C[C@H]1CCC[C@@H](C[N@@H+](C)CC(C)(C)N)C1 ZINC000656784638 411361698 /nfs/dbraw/zinc/36/16/98/411361698.db2.gz GHOTVCTVGXDPQS-NWDGAFQWSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@H]1CCC[C@@H](CN(C)CC(C)(C)[NH3+])C1 ZINC000656784638 411361699 /nfs/dbraw/zinc/36/16/99/411361699.db2.gz GHOTVCTVGXDPQS-NWDGAFQWSA-N 2 1 212.381 2.482 20 0 BEADMP Cc1ccc2c(c1)C[N@H+](C[C@]1(C)CC[NH2+]C1)CC2 ZINC000656787375 411365445 /nfs/dbraw/zinc/36/54/45/411365445.db2.gz JRMNPHCDQRAALW-MRXNPFEDSA-N 2 1 244.382 2.353 20 0 BEADMP Fc1ccc([C@H]2CCC[C@@H]2[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000656788222 411367797 /nfs/dbraw/zinc/36/77/97/411367797.db2.gz WENUPQKYSAAKNW-ZNMIVQPWSA-N 2 1 248.345 2.413 20 0 BEADMP C[C@@H](Cc1cccs1)[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000401808956 411334673 /nfs/dbraw/zinc/33/46/73/411334673.db2.gz RYLKKWLABHZIIP-SRVKXCTJSA-N 2 1 238.400 2.267 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661974264 411341366 /nfs/dbraw/zinc/34/13/66/411341366.db2.gz VSHQCSNYXYSZEP-ZIAGYGMSSA-N 2 1 233.359 2.314 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661974264 411341370 /nfs/dbraw/zinc/34/13/70/411341370.db2.gz VSHQCSNYXYSZEP-ZIAGYGMSSA-N 2 1 233.359 2.314 20 0 BEADMP FCC[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000656791806 411372400 /nfs/dbraw/zinc/37/24/00/411372400.db2.gz KHGRUQIYHTUUFF-LBPRGKRZSA-N 2 1 228.355 2.058 20 0 BEADMP CC1(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CCC1 ZINC000335255492 168026622 /nfs/dbraw/zinc/02/66/22/168026622.db2.gz MWSXORCYBVWQML-BETUJISGSA-N 2 1 222.376 2.108 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC000227204920 168153548 /nfs/dbraw/zinc/15/35/48/168153548.db2.gz CMCMKDNEIOXJQH-GNRIBBGQSA-N 2 1 224.392 2.482 20 0 BEADMP CC1CCC([NH2+]C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000037484609 168162478 /nfs/dbraw/zinc/16/24/78/168162478.db2.gz SSUBDPAHIUDIND-CPCZMJQVSA-N 2 1 210.365 2.106 20 0 BEADMP CC1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000044535152 168162977 /nfs/dbraw/zinc/16/29/77/168162977.db2.gz VTGWZOJOEVFGBP-MOKVOYLWSA-N 2 1 224.392 2.497 20 0 BEADMP CC1CC[NH+](CCC[NH2+]Cc2ccncc2)CC1 ZINC000020146247 168179913 /nfs/dbraw/zinc/17/99/13/168179913.db2.gz SMHBWCSZAYZHQK-UHFFFAOYSA-N 2 1 247.386 2.293 20 0 BEADMP Cc1cccnc1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404286480 411388976 /nfs/dbraw/zinc/38/89/76/411388976.db2.gz IFRGYDIYQKEJGH-UKRRQHHQSA-N 2 1 247.386 2.339 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404321810 411390935 /nfs/dbraw/zinc/39/09/35/411390935.db2.gz RFYCWGKIGNNWMX-CHWSQXEVSA-N 2 1 212.381 2.482 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360566199 168275970 /nfs/dbraw/zinc/27/59/70/168275970.db2.gz XWDARNGXPADGLW-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@H]1CCC[N@@H+](CC2CCC2)[C@@H]1CC[NH3+] ZINC000404392556 411393188 /nfs/dbraw/zinc/39/31/88/411393188.db2.gz YWNJMKYYKWIFNA-WCQYABFASA-N 2 1 210.365 2.236 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000404502549 411399094 /nfs/dbraw/zinc/39/90/94/411399094.db2.gz FBAVXFNRRXHQJJ-ZIAGYGMSSA-N 2 1 242.407 2.249 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000404502549 411399097 /nfs/dbraw/zinc/39/90/97/411399097.db2.gz FBAVXFNRRXHQJJ-ZIAGYGMSSA-N 2 1 242.407 2.249 20 0 BEADMP CC[C@@H]1C[N@H+](Cc2cnc(C)s2)CC[C@@H]1[NH3+] ZINC000122352874 411429673 /nfs/dbraw/zinc/42/96/73/411429673.db2.gz UJWYXJUBMIMGBY-PWSUYJOCSA-N 2 1 239.388 2.011 20 0 BEADMP CC[C@@H]1C[N@@H+](Cc2cnc(C)s2)CC[C@@H]1[NH3+] ZINC000122352874 411429677 /nfs/dbraw/zinc/42/96/77/411429677.db2.gz UJWYXJUBMIMGBY-PWSUYJOCSA-N 2 1 239.388 2.011 20 0 BEADMP CN(C)c1cccc([C@H]2CCC[N@H+]2CCC[NH3+])c1 ZINC000414705058 411441073 /nfs/dbraw/zinc/44/10/73/411441073.db2.gz NGIIABVTPOTMQP-OAHLLOKOSA-N 2 1 247.386 2.238 20 0 BEADMP CC(C)[NH2+]C1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC000660064716 411532571 /nfs/dbraw/zinc/53/25/71/411532571.db2.gz INAQDGXNXRPOFC-ZDUSSCGKSA-N 2 1 240.391 2.016 20 0 BEADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H](C)C(C)C ZINC000659858236 411479836 /nfs/dbraw/zinc/47/98/36/411479836.db2.gz WAPHEKKIELVHOZ-KBPBESRZSA-N 2 1 244.423 2.054 20 0 BEADMP CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@@H](C)C(C)C ZINC000659858236 411479839 /nfs/dbraw/zinc/47/98/39/411479839.db2.gz WAPHEKKIELVHOZ-KBPBESRZSA-N 2 1 244.423 2.054 20 0 BEADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@@H](C)C(C)C ZINC000659858236 411479840 /nfs/dbraw/zinc/47/98/40/411479840.db2.gz WAPHEKKIELVHOZ-KBPBESRZSA-N 2 1 244.423 2.054 20 0 BEADMP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000660068733 411533803 /nfs/dbraw/zinc/53/38/03/411533803.db2.gz PVNNVDGZTIXSFY-LXTVHRRPSA-N 2 1 236.403 2.495 20 0 BEADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000660068733 411533808 /nfs/dbraw/zinc/53/38/08/411533808.db2.gz PVNNVDGZTIXSFY-LXTVHRRPSA-N 2 1 236.403 2.495 20 0 BEADMP C[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)CC1CC[NH+](C)CC1 ZINC000659918743 411498009 /nfs/dbraw/zinc/49/80/09/411498009.db2.gz FDKGYGSCRCHIAU-QDMKHBRRSA-N 2 1 236.403 2.306 20 0 BEADMP Cc1cscc1CNCc1cnc2n1CCC2 ZINC000657451222 411510634 /nfs/dbraw/zinc/51/06/34/411510634.db2.gz LDVSQSJOEKRNIS-UHFFFAOYSA-N 2 1 247.367 2.489 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000659990232 411521564 /nfs/dbraw/zinc/52/15/64/411521564.db2.gz YYDFMZQWTGOARH-XQLPTFJDSA-N 2 1 236.403 2.306 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000659990232 411521566 /nfs/dbraw/zinc/52/15/66/411521566.db2.gz YYDFMZQWTGOARH-XQLPTFJDSA-N 2 1 236.403 2.306 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000659990232 411521568 /nfs/dbraw/zinc/52/15/68/411521568.db2.gz YYDFMZQWTGOARH-XQLPTFJDSA-N 2 1 236.403 2.306 20 0 BEADMP CC[C@@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)CO1 ZINC000657486953 411530788 /nfs/dbraw/zinc/53/07/88/411530788.db2.gz CZBANEWYWZJAPV-GXTWGEPZSA-N 2 1 240.391 2.018 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC000037643772 170007258 /nfs/dbraw/zinc/00/72/58/170007258.db2.gz XSLPMLYMGOCXFU-HNNXBMFYSA-N 2 1 232.371 2.426 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C2(C)CC2)C1 ZINC000037484293 170007959 /nfs/dbraw/zinc/00/79/59/170007959.db2.gz PVVZWCUMLHUSID-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC000037643774 170008736 /nfs/dbraw/zinc/00/87/36/170008736.db2.gz BYAAHDAHARGDLY-HNNXBMFYSA-N 2 1 232.371 2.426 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]CC2(SC)CCC2)C1 ZINC000304244739 170015476 /nfs/dbraw/zinc/01/54/76/170015476.db2.gz FIXLCYHQUOAEPO-GFCCVEGCSA-N 2 1 242.432 2.204 20 0 BEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC000037484200 170015995 /nfs/dbraw/zinc/01/59/95/170015995.db2.gz WAGOGPRVDQKLOO-LLVKDONJSA-N 2 1 224.373 2.180 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC000037484200 170015996 /nfs/dbraw/zinc/01/59/96/170015996.db2.gz WAGOGPRVDQKLOO-LLVKDONJSA-N 2 1 224.373 2.180 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cncc(C)c2)C1 ZINC000184285016 170017487 /nfs/dbraw/zinc/01/74/87/170017487.db2.gz UQXLZRBTYBDKIQ-UONOGXRCSA-N 2 1 247.386 2.382 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C(F)F)CC2)[C@H](C)C1 ZINC000355146722 170021010 /nfs/dbraw/zinc/02/10/10/170021010.db2.gz GTBURPPNQUIYEM-MNOVXSKESA-N 2 1 246.345 2.352 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CSC2(C)C)[C@H](C)C1 ZINC000336779645 170021783 /nfs/dbraw/zinc/02/17/83/170021783.db2.gz PABRWJZNXNEKRN-GRYCIOLGSA-N 2 1 242.432 2.200 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2F)[C@@H](C)C1 ZINC000340524098 170022300 /nfs/dbraw/zinc/02/23/00/170022300.db2.gz KBFBNRPZMZVMDU-QNWHQSFQSA-N 2 1 228.355 2.197 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2F)[C@@H](C)C1 ZINC000340524098 170022302 /nfs/dbraw/zinc/02/23/02/170022302.db2.gz KBFBNRPZMZVMDU-QNWHQSFQSA-N 2 1 228.355 2.197 20 0 BEADMP CC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000334445244 170151658 /nfs/dbraw/zinc/15/16/58/170151658.db2.gz IYTYRZNDFIPHQF-KGLIPLIRSA-N 2 1 218.344 2.431 20 0 BEADMP CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000334445244 170151659 /nfs/dbraw/zinc/15/16/59/170151659.db2.gz IYTYRZNDFIPHQF-KGLIPLIRSA-N 2 1 218.344 2.431 20 0 BEADMP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000310183464 170352749 /nfs/dbraw/zinc/35/27/49/170352749.db2.gz ODYOOODAMDWANH-CHWSQXEVSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)(F)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657645276 411568606 /nfs/dbraw/zinc/56/86/06/411568606.db2.gz QEINEHCLXSVVHO-VXGBXAGGSA-N 2 1 228.355 2.341 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCC(C)(C)F ZINC000657645199 411569186 /nfs/dbraw/zinc/56/91/86/411569186.db2.gz NJBNJTMJNSKALQ-UHFFFAOYSA-N 2 1 239.338 2.375 20 0 BEADMP CC[N@H+]1CCC[C@H]1CNc1[nH+]ccc2[nH]ccc21 ZINC000663319911 411623841 /nfs/dbraw/zinc/62/38/41/411623841.db2.gz WFFYGQFOVYGEFS-NSHDSACASA-N 2 1 244.342 2.459 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CC1 ZINC000663346263 411633432 /nfs/dbraw/zinc/63/34/32/411633432.db2.gz RUJBOCFBQVTNAD-GXTWGEPZSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)=CCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000660615304 411607950 /nfs/dbraw/zinc/60/79/50/411607950.db2.gz FQQIRWQGMWNGRP-AWEZNQCLSA-N 2 1 222.376 2.370 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000660615304 411607952 /nfs/dbraw/zinc/60/79/52/411607952.db2.gz FQQIRWQGMWNGRP-AWEZNQCLSA-N 2 1 222.376 2.370 20 0 BEADMP CC(C)=CCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000660615304 411607954 /nfs/dbraw/zinc/60/79/54/411607954.db2.gz FQQIRWQGMWNGRP-AWEZNQCLSA-N 2 1 222.376 2.370 20 0 BEADMP CC[NH+]1CCC([NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657825153 411607930 /nfs/dbraw/zinc/60/79/30/411607930.db2.gz MODLFXYXDITGTR-UHFFFAOYSA-N 2 1 246.345 2.148 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654950 411613248 /nfs/dbraw/zinc/61/32/48/411613248.db2.gz DGUNANXNJUXBCR-KBPBESRZSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@H](C)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654950 411613249 /nfs/dbraw/zinc/61/32/49/411613249.db2.gz DGUNANXNJUXBCR-KBPBESRZSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@H](C)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654950 411613251 /nfs/dbraw/zinc/61/32/51/411613251.db2.gz DGUNANXNJUXBCR-KBPBESRZSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@H](C)[N@H+](CC)CCCc1c[nH+]cn1C ZINC000661103921 411709074 /nfs/dbraw/zinc/70/90/74/411709074.db2.gz INWBPVUJIUWBFW-LBPRGKRZSA-N 2 1 223.364 2.473 20 0 BEADMP CC[C@H](C)[N@@H+](CC)CCCc1c[nH+]cn1C ZINC000661103921 411709077 /nfs/dbraw/zinc/70/90/77/411709077.db2.gz INWBPVUJIUWBFW-LBPRGKRZSA-N 2 1 223.364 2.473 20 0 BEADMP CC[C@H](C)[N@H+](CC)CCn1cc[nH+]c1C ZINC000661105748 411710786 /nfs/dbraw/zinc/71/07/86/411710786.db2.gz ZAVXQLXTKFGASK-NSHDSACASA-N 2 1 209.337 2.312 20 0 BEADMP CC[C@H](C)[N@@H+](CC)CCn1cc[nH+]c1C ZINC000661105748 411710789 /nfs/dbraw/zinc/71/07/89/411710789.db2.gz ZAVXQLXTKFGASK-NSHDSACASA-N 2 1 209.337 2.312 20 0 BEADMP C[C@H]1C[C@@H](Nc2[nH+]ccc3[nH]ccc32)CC[N@H+]1C ZINC000663661911 411716902 /nfs/dbraw/zinc/71/69/02/411716902.db2.gz SJPBDBIHJHHKHK-QWRGUYRKSA-N 2 1 244.342 2.458 20 0 BEADMP Cc1cccc([C@H](C)[N@@H+](C)CCC[NH3+])c1 ZINC000133229380 411661192 /nfs/dbraw/zinc/66/11/92/411661192.db2.gz HVCXCHZUDZNISP-LBPRGKRZSA-N 2 1 206.333 2.337 20 0 BEADMP CC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663470556 411668008 /nfs/dbraw/zinc/66/80/08/411668008.db2.gz VBRVOMHKTWJRJU-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@]1(C[N@H+]2CCC[C@H](C3CCC3)C2)CC[NH2+]C1 ZINC000663499123 411681051 /nfs/dbraw/zinc/68/10/51/411681051.db2.gz ATONQDZBJMPTJG-GJZGRUSLSA-N 2 1 236.403 2.498 20 0 BEADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1c(F)cccc1F ZINC000663498175 411681426 /nfs/dbraw/zinc/68/14/26/411681426.db2.gz MCMDZJAGKSEJMS-CYBMUJFWSA-N 2 1 242.313 2.428 20 0 BEADMP C[C@@]1(C[N@H+]2CCC[C@@H](C3CCC3)C2)CC[NH2+]C1 ZINC000663499124 411682028 /nfs/dbraw/zinc/68/20/28/411682028.db2.gz ATONQDZBJMPTJG-HUUCEWRRSA-N 2 1 236.403 2.498 20 0 BEADMP C(C[N@@H+](CC1CC1)CC1CC[NH2+]CC1)C1CC1 ZINC000663504244 411687733 /nfs/dbraw/zinc/68/77/33/411687733.db2.gz WURYWSSXMLWIGE-UHFFFAOYSA-N 2 1 236.403 2.498 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000663513775 411694571 /nfs/dbraw/zinc/69/45/71/411694571.db2.gz MHZAVKDDWITFJG-MNOVXSKESA-N 2 1 224.323 2.127 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+]CCCCOc1ccccc1 ZINC000663512277 411695298 /nfs/dbraw/zinc/69/52/98/411695298.db2.gz FZMVLBZWWVCBDE-CYBMUJFWSA-N 2 1 236.359 2.043 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)CCCC(F)(F)F ZINC000663514154 411695427 /nfs/dbraw/zinc/69/54/27/411695427.db2.gz NQQGLUZISGARKQ-BDAKNGLRSA-N 2 1 226.286 2.305 20 0 BEADMP CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C[NH2+]C ZINC000663513139 411695638 /nfs/dbraw/zinc/69/56/38/411695638.db2.gz ISLRJOBPCBXPTR-JSGCOSHPSA-N 2 1 220.360 2.205 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000663514816 411697730 /nfs/dbraw/zinc/69/77/30/411697730.db2.gz UCWANNFJHAWARG-ZANVPECISA-N 2 1 238.762 2.005 20 0 BEADMP c1cc2c(cc[nH+]c2NCC[N@@H+]2CC=CCC2)[nH]1 ZINC000663860777 411763525 /nfs/dbraw/zinc/76/35/25/411763525.db2.gz BVDSVIWZGNGMBZ-UHFFFAOYSA-N 2 1 242.326 2.237 20 0 BEADMP Cc1cc(NC[C@H]2CC[N@H+]2C(C)(C)C)cc[nH+]1 ZINC000664142849 411870123 /nfs/dbraw/zinc/87/01/23/411870123.db2.gz NUAFEYOLKDXRMB-CYBMUJFWSA-N 2 1 233.359 2.097 20 0 BEADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662229389 412031804 /nfs/dbraw/zinc/03/18/04/412031804.db2.gz IWDCZFKENGYSOK-OAHLLOKOSA-N 2 1 236.403 2.498 20 0 BEADMP CO[C@H](C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+])C1CCC1 ZINC000662236381 412035121 /nfs/dbraw/zinc/03/51/21/412035121.db2.gz XCHSBDKAPOXROO-FPMFFAJLSA-N 2 1 240.391 2.003 20 0 BEADMP CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000662235259 412035334 /nfs/dbraw/zinc/03/53/34/412035334.db2.gz OXQHWCMUAHKRRT-VHSXEESVSA-N 2 1 220.307 2.091 20 0 BEADMP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000662235259 412035337 /nfs/dbraw/zinc/03/53/37/412035337.db2.gz OXQHWCMUAHKRRT-VHSXEESVSA-N 2 1 220.307 2.091 20 0 BEADMP CC[C@@H](CC(F)F)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000662244107 412038460 /nfs/dbraw/zinc/03/84/60/412038460.db2.gz BUEQYIWFVWSILS-QWRGUYRKSA-N 2 1 234.334 2.209 20 0 BEADMP CC1(C)CCCC[C@@H]1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000662247739 412045026 /nfs/dbraw/zinc/04/50/26/412045026.db2.gz ZOBYZJRQMOZNMJ-CHWSQXEVSA-N 2 1 224.392 2.483 20 0 BEADMP CO[C@H](C[NH2+][C@@](C)(C[NH3+])C1CC1)c1ccccc1 ZINC000662248105 412045971 /nfs/dbraw/zinc/04/59/71/412045971.db2.gz TYELLBJKFCSHGR-CABCVRRESA-N 2 1 248.370 2.091 20 0 BEADMP C1=CCC(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000662263502 412056257 /nfs/dbraw/zinc/05/62/57/412056257.db2.gz BVMGPPNAGGBQGM-CABCVRRESA-N 2 1 234.387 2.417 20 0 BEADMP CC[C@@H]1CC[C@@H](C)[N@H+]1CC1CC[NH2+]CC1 ZINC000136185241 171036335 /nfs/dbraw/zinc/03/63/35/171036335.db2.gz CZYLIZODMZHZAZ-DGCLKSJQSA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336721495 171045264 /nfs/dbraw/zinc/04/52/64/171045264.db2.gz DRDUXMAHICCGMP-RNJOBUHISA-N 2 1 210.365 2.247 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336721495 171045267 /nfs/dbraw/zinc/04/52/67/171045267.db2.gz DRDUXMAHICCGMP-RNJOBUHISA-N 2 1 210.365 2.247 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000336674096 171045804 /nfs/dbraw/zinc/04/58/04/171045804.db2.gz BELJYUAMSPQHLR-XJFOESAGSA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000336674096 171045807 /nfs/dbraw/zinc/04/58/07/171045807.db2.gz BELJYUAMSPQHLR-XJFOESAGSA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@@H]1C[N@@H+](CC2CC=CC2)CC[C@H]1[NH3+] ZINC000662270850 412062306 /nfs/dbraw/zinc/06/23/06/412062306.db2.gz PZZXQZTUMOPXIU-CHWSQXEVSA-N 2 1 208.349 2.012 20 0 BEADMP C1=CCC(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)C1 ZINC000662276497 412068615 /nfs/dbraw/zinc/06/86/15/412068615.db2.gz NMMNFJQUMUFXIO-LSDHHAIUSA-N 2 1 234.387 2.417 20 0 BEADMP C[C@H]1CCC[N@@H+](CC2CC=CC2)[C@@H]1CC[NH3+] ZINC000662285848 412077534 /nfs/dbraw/zinc/07/75/34/412077534.db2.gz NSCGGZTULOXDKW-GXTWGEPZSA-N 2 1 222.376 2.402 20 0 BEADMP CC[C@H](CC(F)F)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000662282701 412071966 /nfs/dbraw/zinc/07/19/66/412071966.db2.gz JQQSVGFFQURBQF-LLVKDONJSA-N 2 1 246.345 2.496 20 0 BEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC1CC=CC1)C2 ZINC000662286882 412078059 /nfs/dbraw/zinc/07/80/59/412078059.db2.gz SWLSGZXHYJWFJE-KBPBESRZSA-N 2 1 220.360 2.013 20 0 BEADMP CC[C@H](C)C[N@@H+](CC)CCC[NH+](C)C ZINC000336669495 171278237 /nfs/dbraw/zinc/27/82/37/171278237.db2.gz DWYGPIPNQUMSBW-LBPRGKRZSA-N 2 1 200.370 2.306 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335620315 171280539 /nfs/dbraw/zinc/28/05/39/171280539.db2.gz XHUTXWDLBGKIBQ-QWHCGFSZSA-N 2 1 210.365 2.108 20 0 BEADMP CC[C@H](C)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000121684902 171282746 /nfs/dbraw/zinc/28/27/46/171282746.db2.gz CDPFHFWLGWJEDL-UONOGXRCSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@H](C)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036996356 171286701 /nfs/dbraw/zinc/28/67/01/171286701.db2.gz KQQHOWAEAOROFD-YNEHKIRRSA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@H](C)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036996356 171286703 /nfs/dbraw/zinc/28/67/03/171286703.db2.gz KQQHOWAEAOROFD-YNEHKIRRSA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+]CCC(C)C ZINC000053377514 171306444 /nfs/dbraw/zinc/30/64/44/171306444.db2.gz OWWJWIURMPOEPB-LBPRGKRZSA-N 2 1 200.370 2.352 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+]CCC(C)C ZINC000053377514 171306447 /nfs/dbraw/zinc/30/64/47/171306447.db2.gz OWWJWIURMPOEPB-LBPRGKRZSA-N 2 1 200.370 2.352 20 0 BEADMP [NH3+]CCOCC[N@H+]1CCCC2(CCCC2)CC1 ZINC000662299469 412086302 /nfs/dbraw/zinc/08/63/02/412086302.db2.gz QNWHXDQYUNWWDQ-UHFFFAOYSA-N 2 1 240.391 2.008 20 0 BEADMP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000662305441 412090488 /nfs/dbraw/zinc/09/04/88/412090488.db2.gz HPXQXOMYECBDKN-ZFWWWQNUSA-N 2 1 236.403 2.498 20 0 BEADMP CCC1(CC)CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000662308679 412093277 /nfs/dbraw/zinc/09/32/77/412093277.db2.gz COGHRFQCJOYCAU-CYBMUJFWSA-N 2 1 224.392 2.498 20 0 BEADMP CCC1(CC)CCC[N@@H+](CCC[NH2+]C)C1 ZINC000662309847 412094941 /nfs/dbraw/zinc/09/49/41/412094941.db2.gz OFOSKPDTXVXMJG-UHFFFAOYSA-N 2 1 212.381 2.498 20 0 BEADMP c1cc(C[N@H+]2CC[C@H]3C[C@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000662315954 412095835 /nfs/dbraw/zinc/09/58/35/412095835.db2.gz RGLKEJQLFXUBKS-WFASDCNBSA-N 2 1 242.366 2.174 20 0 BEADMP CCC(CC)CCC[N@@H+](C)C[C@H](C)[NH3+] ZINC000662316147 412095904 /nfs/dbraw/zinc/09/59/04/412095904.db2.gz IYEFCLNDVAXDBA-NSHDSACASA-N 2 1 200.370 2.482 20 0 BEADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662317799 412097615 /nfs/dbraw/zinc/09/76/15/412097615.db2.gz SRCKECZRBKKNOH-TZMCWYRMSA-N 2 1 222.376 2.108 20 0 BEADMP [NH3+]CCOCC[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000662319635 412099799 /nfs/dbraw/zinc/09/97/99/412099799.db2.gz PCUIKAMYMORBCW-CQSZACIVSA-N 2 1 240.391 2.006 20 0 BEADMP CCC[C@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322524 412100197 /nfs/dbraw/zinc/10/01/97/412100197.db2.gz ILIBASPUKWGJOT-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1CC1(C)C ZINC000662331577 412105000 /nfs/dbraw/zinc/10/50/00/412105000.db2.gz NRLNLXGRGYMEPO-OLZOCXBDSA-N 2 1 224.392 2.354 20 0 BEADMP c1ccc([C@H]2CC[C@@H]([NH2+][C@H]3CC[NH2+]C3)C2)cc1 ZINC000665242024 412184354 /nfs/dbraw/zinc/18/43/54/412184354.db2.gz IEUFMSZRTZBVRI-ZNMIVQPWSA-N 2 1 230.355 2.274 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1C ZINC000665245933 412190966 /nfs/dbraw/zinc/19/09/66/412190966.db2.gz VFOFYXCLXWEGDA-BBRMVZONSA-N 2 1 246.398 2.434 20 0 BEADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cccc(O)c1 ZINC000665247795 412192275 /nfs/dbraw/zinc/19/22/75/412192275.db2.gz JUJHHPLDBQJTQS-LLVKDONJSA-N 2 1 234.343 2.314 20 0 BEADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cccc(CO)c1 ZINC000665247919 412193640 /nfs/dbraw/zinc/19/36/40/412193640.db2.gz LTSQFHAHFXMOOS-LBPRGKRZSA-N 2 1 248.370 2.101 20 0 BEADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1ccccn1 ZINC000665232056 412169938 /nfs/dbraw/zinc/16/99/38/412169938.db2.gz FCPINYRHYBEMNR-VNHYZAJKSA-N 2 1 247.386 2.305 20 0 BEADMP C[C@H]([NH2+]CC1=CCCC1)c1c[nH+]ccc1N ZINC000665274482 412217266 /nfs/dbraw/zinc/21/72/66/412217266.db2.gz QWEWFFHDTBDYQK-JTQLQIEISA-N 2 1 217.316 2.255 20 0 BEADMP CC[C@@H]([NH2+]CC1=CCCC1)[C@@H]1CCC[NH2+]1 ZINC000665274407 412217301 /nfs/dbraw/zinc/21/73/01/412217301.db2.gz POVRSESKUXQNKN-OLZOCXBDSA-N 2 1 208.349 2.217 20 0 BEADMP c1ccc2c(c1)CCC[C@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665276455 412218858 /nfs/dbraw/zinc/21/88/58/412218858.db2.gz CTVYIUDHTFEORY-DSSZZKGTSA-N 2 1 242.366 2.406 20 0 BEADMP c1ccc2c(c1)CCC[C@@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665276456 412219899 /nfs/dbraw/zinc/21/98/99/412219899.db2.gz CTVYIUDHTFEORY-NRAUKZCXSA-N 2 1 242.366 2.406 20 0 BEADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277681 412221290 /nfs/dbraw/zinc/22/12/90/412221290.db2.gz IHGKTNIDOJZQRQ-IABDWYQCSA-N 2 1 242.366 2.262 20 0 BEADMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[NH2+]C)C1(C)C ZINC000665296061 412242452 /nfs/dbraw/zinc/24/24/52/412242452.db2.gz MIRCPBADMWICJM-RWMBFGLXSA-N 2 1 242.407 2.168 20 0 BEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH2+]C)C1(CC)CC ZINC000665295824 412242506 /nfs/dbraw/zinc/24/25/06/412242506.db2.gz JWURDMTVVOHEFT-JHJVBQTASA-N 2 1 242.407 2.168 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000665298561 412245726 /nfs/dbraw/zinc/24/57/26/412245726.db2.gz YHAYLSWVDRSTCY-XNWIYYODSA-N 2 1 220.307 2.008 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000665298430 412246620 /nfs/dbraw/zinc/24/66/20/412246620.db2.gz VXONITORHYNHEC-QWRGUYRKSA-N 2 1 200.370 2.399 20 0 BEADMP C[NH+](C)C[C@H]1CCN(c2cc[nH+]cc2Cl)C1 ZINC000293058857 172496741 /nfs/dbraw/zinc/49/67/41/172496741.db2.gz MBVQXTUGWDZWNK-SNVBAGLBSA-N 2 1 239.750 2.123 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccsc2)CC1 ZINC000271928756 172979083 /nfs/dbraw/zinc/97/90/83/172979083.db2.gz VZBLDZGIBRZIKG-UHFFFAOYSA-N 2 1 222.357 2.100 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2CCCC[C@H]21 ZINC000368083831 173029388 /nfs/dbraw/zinc/02/93/88/173029388.db2.gz OQPIICOSEABOCN-MGPQQGTHSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368083831 173029390 /nfs/dbraw/zinc/02/93/90/173029390.db2.gz OQPIICOSEABOCN-MGPQQGTHSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000368083831 173029392 /nfs/dbraw/zinc/02/93/92/173029392.db2.gz OQPIICOSEABOCN-MGPQQGTHSA-N 2 1 222.376 2.345 20 0 BEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCCF)CC[C@@H]21 ZINC000367158589 173036262 /nfs/dbraw/zinc/03/62/62/173036262.db2.gz TVEVJMHEDBUNRN-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCCF)CC[C@@H]21 ZINC000367158589 173036264 /nfs/dbraw/zinc/03/62/64/173036264.db2.gz TVEVJMHEDBUNRN-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCF)CC[C@@H]21 ZINC000367158589 173036267 /nfs/dbraw/zinc/03/62/67/173036267.db2.gz TVEVJMHEDBUNRN-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH3+])[C@H]1c1cccs1 ZINC000082374015 173042443 /nfs/dbraw/zinc/04/24/43/173042443.db2.gz DPKWXOKHANQUNA-KOLCDFICSA-N 2 1 210.346 2.090 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC1(C)C ZINC000336556117 173050342 /nfs/dbraw/zinc/05/03/42/173050342.db2.gz HVYUGPAYLYWYTL-LBPRGKRZSA-N 2 1 210.365 2.345 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC1(C)C ZINC000336556117 173050344 /nfs/dbraw/zinc/05/03/44/173050344.db2.gz HVYUGPAYLYWYTL-LBPRGKRZSA-N 2 1 210.365 2.345 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC1(C)C ZINC000336556117 173050348 /nfs/dbraw/zinc/05/03/48/173050348.db2.gz HVYUGPAYLYWYTL-LBPRGKRZSA-N 2 1 210.365 2.345 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@H]2CCCC[C@H]21 ZINC000368083830 173052169 /nfs/dbraw/zinc/05/21/69/173052169.db2.gz OQPIICOSEABOCN-HZSPNIEDSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368083830 173052171 /nfs/dbraw/zinc/05/21/71/173052171.db2.gz OQPIICOSEABOCN-HZSPNIEDSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000368083830 173052173 /nfs/dbraw/zinc/05/21/73/173052173.db2.gz OQPIICOSEABOCN-HZSPNIEDSA-N 2 1 222.376 2.345 20 0 BEADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccco2)C1 ZINC000290372131 173134847 /nfs/dbraw/zinc/13/48/47/173134847.db2.gz HMYDIICSMWIZDL-GXTWGEPZSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccco2)C1 ZINC000290372131 173134848 /nfs/dbraw/zinc/13/48/48/173134848.db2.gz HMYDIICSMWIZDL-GXTWGEPZSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccco2)C1 ZINC000290372131 173134849 /nfs/dbraw/zinc/13/48/49/173134849.db2.gz HMYDIICSMWIZDL-GXTWGEPZSA-N 2 1 234.343 2.196 20 0 BEADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCCCF)C2)C1 ZINC000366495525 173137879 /nfs/dbraw/zinc/13/78/79/173137879.db2.gz GUOBPGGUJDLJRQ-CYBMUJFWSA-N 2 1 228.355 2.154 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCCCF)C2)C1 ZINC000366495525 173137881 /nfs/dbraw/zinc/13/78/81/173137881.db2.gz GUOBPGGUJDLJRQ-CYBMUJFWSA-N 2 1 228.355 2.154 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCCCF)C2)C1 ZINC000366495525 173137882 /nfs/dbraw/zinc/13/78/82/173137882.db2.gz GUOBPGGUJDLJRQ-CYBMUJFWSA-N 2 1 228.355 2.154 20 0 BEADMP C[N@H+]1CC[C@H](C[NH2+]C2CCCCCC2)C1 ZINC000037484613 173147448 /nfs/dbraw/zinc/14/74/48/173147448.db2.gz KEOTVXSNMQREOS-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC2CCC2)[C@@H]2CCC[C@@H]21 ZINC000309501063 173151416 /nfs/dbraw/zinc/15/14/16/173151416.db2.gz ZTNQMCHRWHERJX-IHRRRGAJSA-N 2 1 222.376 2.249 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2)[C@@H]2CCC[C@H]21 ZINC000367620692 173152939 /nfs/dbraw/zinc/15/29/39/173152939.db2.gz QUGOVTIOUXRJRX-SOUVJXGZSA-N 2 1 245.370 2.044 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC2CCC2)[C@@H]2CCC[C@H]21 ZINC000309501065 173153326 /nfs/dbraw/zinc/15/33/26/173153326.db2.gz ZTNQMCHRWHERJX-MELADBBJSA-N 2 1 222.376 2.249 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC2(C)C)[C@H]2CCC[C@H]21 ZINC000353399065 173153504 /nfs/dbraw/zinc/15/35/04/173153504.db2.gz ANQSOZWLXUWSGI-RFQIPJPRSA-N 2 1 236.403 2.495 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCCC1)C2 ZINC000100046893 173206458 /nfs/dbraw/zinc/20/64/58/173206458.db2.gz MVSSXDKAQLWYQO-CLLJXQQHSA-N 2 1 208.349 2.098 20 0 BEADMP C[NH2+]CCC[NH2+]Cc1ccccc1OC(C)C ZINC000040719709 173349614 /nfs/dbraw/zinc/34/96/14/173349614.db2.gz LZTQTFYSVBDICP-UHFFFAOYSA-N 2 1 236.359 2.173 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000238342700 173356950 /nfs/dbraw/zinc/35/69/50/173356950.db2.gz ILINFHFXQJYIOQ-YNEHKIRRSA-N 2 1 212.381 2.256 20 0 BEADMP CNC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000039781770 173369297 /nfs/dbraw/zinc/36/92/97/173369297.db2.gz JYQDHDGLUNZDFP-ZDUSSCGKSA-N 2 1 210.365 2.251 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000053031002 173369538 /nfs/dbraw/zinc/36/95/38/173369538.db2.gz ROSJLRYLMQUSBK-ZDUSSCGKSA-N 2 1 210.365 2.108 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC000053031468 173369558 /nfs/dbraw/zinc/36/95/58/173369558.db2.gz BJHMGBUIMXUZRL-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000226636975 173371274 /nfs/dbraw/zinc/37/12/74/173371274.db2.gz NGRKENWEZCUZFI-RYUDHWBXSA-N 2 1 236.334 2.428 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000226636975 173371275 /nfs/dbraw/zinc/37/12/75/173371275.db2.gz NGRKENWEZCUZFI-RYUDHWBXSA-N 2 1 236.334 2.428 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC000011888683 173378438 /nfs/dbraw/zinc/37/84/38/173378438.db2.gz LBLODXXLWBXUAJ-OAHLLOKOSA-N 2 1 232.371 2.426 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000011888752 173379013 /nfs/dbraw/zinc/37/90/13/173379013.db2.gz CGUFHDNUVGEMBA-CQSZACIVSA-N 2 1 248.370 2.127 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000011888752 173379015 /nfs/dbraw/zinc/37/90/15/173379015.db2.gz CGUFHDNUVGEMBA-CQSZACIVSA-N 2 1 248.370 2.127 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000053012240 173381441 /nfs/dbraw/zinc/38/14/41/173381441.db2.gz LZWHOWKJRAMZKN-CHWSQXEVSA-N 2 1 218.344 2.289 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000071141895 173381711 /nfs/dbraw/zinc/38/17/11/173381711.db2.gz SSYYRUZYGDJCRT-QWHCGFSZSA-N 2 1 248.370 2.298 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC000071142429 173381877 /nfs/dbraw/zinc/38/18/77/173381877.db2.gz YGZAODWEBWHMLD-OAHLLOKOSA-N 2 1 232.371 2.345 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000053158084 173382156 /nfs/dbraw/zinc/38/21/56/173382156.db2.gz ZGRSEMQLYCICOH-GFCCVEGCSA-N 2 1 238.762 2.381 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000053158084 173382158 /nfs/dbraw/zinc/38/21/58/173382158.db2.gz ZGRSEMQLYCICOH-GFCCVEGCSA-N 2 1 238.762 2.381 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC000011891901 173382222 /nfs/dbraw/zinc/38/22/22/173382222.db2.gz INFDTSFOQHMDRF-CYBMUJFWSA-N 2 1 218.344 2.036 20 0 BEADMP COC1(C[NH2+]CCC[N@@H+](C)C(C)C)CCCC1 ZINC000319380756 174000678 /nfs/dbraw/zinc/00/06/78/174000678.db2.gz CJGZTPMYANLBNB-UHFFFAOYSA-N 2 1 242.407 2.266 20 0 BEADMP COCCC[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000309450772 174263073 /nfs/dbraw/zinc/26/30/73/174263073.db2.gz LBPZJGPMESWYDS-ZDUSSCGKSA-N 2 1 230.396 2.121 20 0 BEADMP COCCC[C@H](C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000359620363 174263131 /nfs/dbraw/zinc/26/31/31/174263131.db2.gz LXSQFSPPFFYRNG-ZDUSSCGKSA-N 2 1 242.407 2.266 20 0 BEADMP COCCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000359944536 174264977 /nfs/dbraw/zinc/26/49/77/174264977.db2.gz VILHCHVYAXLTLS-IHRRRGAJSA-N 2 1 240.391 2.018 20 0 BEADMP COCCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000359944536 174264978 /nfs/dbraw/zinc/26/49/78/174264978.db2.gz VILHCHVYAXLTLS-IHRRRGAJSA-N 2 1 240.391 2.018 20 0 BEADMP COc1ccc(C)cc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000234857781 175075164 /nfs/dbraw/zinc/07/51/64/175075164.db2.gz IONCKPMFXIOTOO-HNNXBMFYSA-N 2 1 248.370 2.174 20 0 BEADMP COc1ccc(C)cc1[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000038041003 175079038 /nfs/dbraw/zinc/07/90/38/175079038.db2.gz GRCZJVQIOKAFIZ-GFCCVEGCSA-N 2 1 248.370 2.406 20 0 BEADMP COc1ccc(C[N@@H+](CCC[NH3+])C2CC2)cc1 ZINC000036732062 175097764 /nfs/dbraw/zinc/09/77/64/175097764.db2.gz CQNWMIDJAUXKPH-UHFFFAOYSA-N 2 1 234.343 2.008 20 0 BEADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000090720840 175110563 /nfs/dbraw/zinc/11/05/63/175110563.db2.gz ZEPDVHIRKNEXMG-GXTWGEPZSA-N 2 1 248.370 2.268 20 0 BEADMP COc1cccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000070074237 175258823 /nfs/dbraw/zinc/25/88/23/175258823.db2.gz KKCALSCCZZHGOH-CYBMUJFWSA-N 2 1 248.370 2.256 20 0 BEADMP COc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000113516490 175259617 /nfs/dbraw/zinc/25/96/17/175259617.db2.gz JWQDDGXLTCTVIB-AWEZNQCLSA-N 2 1 248.370 2.079 20 0 BEADMP COc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000113516490 175259618 /nfs/dbraw/zinc/25/96/18/175259618.db2.gz JWQDDGXLTCTVIB-AWEZNQCLSA-N 2 1 248.370 2.079 20 0 BEADMP C[C@@H](c1cccnc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292100761 176030560 /nfs/dbraw/zinc/03/05/60/176030560.db2.gz HWHQCNQDJRWPIZ-DZGCQCFKSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@@H](c1cccnc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292100761 176030561 /nfs/dbraw/zinc/03/05/61/176030561.db2.gz HWHQCNQDJRWPIZ-DZGCQCFKSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@@H](c1cccnc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292100761 176030562 /nfs/dbraw/zinc/03/05/62/176030562.db2.gz HWHQCNQDJRWPIZ-DZGCQCFKSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@@H](c1cccnc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292100761 176030563 /nfs/dbraw/zinc/03/05/63/176030563.db2.gz HWHQCNQDJRWPIZ-DZGCQCFKSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@@H]1CC2(C[N@H+]1CC1CCC1)CC[NH2+]CC2 ZINC000335276468 176057952 /nfs/dbraw/zinc/05/79/52/176057952.db2.gz DNVWVGODXPFFGT-GFCCVEGCSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]CC1CC1 ZINC000037118284 176071409 /nfs/dbraw/zinc/07/14/09/176071409.db2.gz HPYDKFSJZGFPJY-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@H]1CCCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335607812 176088630 /nfs/dbraw/zinc/08/86/30/176088630.db2.gz HVBMYMZDXBTGKI-TZMCWYRMSA-N 2 1 222.376 2.417 20 0 BEADMP C[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000050952290 176098708 /nfs/dbraw/zinc/09/87/08/176098708.db2.gz KAAOQSAMUUHDIY-CYBMUJFWSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C[NH3+] ZINC000069726018 176100771 /nfs/dbraw/zinc/10/07/71/176100771.db2.gz CLPKYWAHLPJTMT-TZMCWYRMSA-N 2 1 218.344 2.246 20 0 BEADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C[NH3+] ZINC000069726018 176100772 /nfs/dbraw/zinc/10/07/72/176100772.db2.gz CLPKYWAHLPJTMT-TZMCWYRMSA-N 2 1 218.344 2.246 20 0 BEADMP C[C@@H]1CC[N@@H+](CCCCCF)C[C@H]1C[NH3+] ZINC000336695477 176168705 /nfs/dbraw/zinc/16/87/05/176168705.db2.gz NWIANVCSFZTACX-VXGBXAGGSA-N 2 1 216.344 2.043 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000335550950 176217233 /nfs/dbraw/zinc/21/72/33/176217233.db2.gz UKFQQRMNMRNFFE-MFKMUULPSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000309829086 176217492 /nfs/dbraw/zinc/21/74/92/176217492.db2.gz YBQKDAGYLWXZHS-HTOAHKCRSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000309050386 176218280 /nfs/dbraw/zinc/21/82/80/176218280.db2.gz PIVVJSVBOPVVLH-NJMOYASZSA-N 2 1 210.365 2.103 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccs1 ZINC000105480612 176269175 /nfs/dbraw/zinc/26/91/75/176269175.db2.gz YLSGGLMTGNTIHX-PWSUYJOCSA-N 2 1 224.373 2.178 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccs1 ZINC000105480612 176269176 /nfs/dbraw/zinc/26/91/76/176269176.db2.gz YLSGGLMTGNTIHX-PWSUYJOCSA-N 2 1 224.373 2.178 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCC1(C)C ZINC000308838238 176269629 /nfs/dbraw/zinc/26/96/29/176269629.db2.gz METDLQFUNQPELY-WOPDTQHZSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCC1(C)C ZINC000308838238 176269631 /nfs/dbraw/zinc/26/96/31/176269631.db2.gz METDLQFUNQPELY-WOPDTQHZSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000105480748 176269851 /nfs/dbraw/zinc/26/98/51/176269851.db2.gz NYOWOXNMTHBALP-RISCZKNCSA-N 2 1 236.334 2.256 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](F)C1 ZINC000309798612 176279128 /nfs/dbraw/zinc/27/91/28/176279128.db2.gz QSIZYOUBZNPJIM-KVSVUVNWSA-N 2 1 228.355 2.195 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccco1 ZINC000036908629 176279313 /nfs/dbraw/zinc/27/93/13/176279313.db2.gz WUWZQZXYEXMLPH-YRGRVCCFSA-N 2 1 236.359 2.140 20 0 BEADMP C[C@@H]1C[N@@H+](CCC2CCCC2)CC[C@@H]1[NH3+] ZINC000049713033 176288537 /nfs/dbraw/zinc/28/85/37/176288537.db2.gz VQPPCRBHGUAXFG-YPMHNXCESA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000131482698 176367538 /nfs/dbraw/zinc/36/75/38/176367538.db2.gz LJILVTIAJYBSFR-KOLCDFICSA-N 2 1 240.297 2.134 20 0 BEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)c(F)c1 ZINC000131482698 176367540 /nfs/dbraw/zinc/36/75/40/176367540.db2.gz LJILVTIAJYBSFR-KOLCDFICSA-N 2 1 240.297 2.134 20 0 BEADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC(C)(C)C)CC[NH2+]1 ZINC000235381238 176368100 /nfs/dbraw/zinc/36/81/00/176368100.db2.gz FCYPYXKPLZXTPS-NEPJUHHUSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(F)(F)F)CCN1C ZINC000355882794 176370460 /nfs/dbraw/zinc/37/04/60/176370460.db2.gz SLHQIAVTDHHKJT-ZJUUUORDSA-N 2 1 238.297 2.353 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(F)(F)F)CCN1C ZINC000355882794 176370462 /nfs/dbraw/zinc/37/04/62/176370462.db2.gz SLHQIAVTDHHKJT-ZJUUUORDSA-N 2 1 238.297 2.353 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CCC2)CCN1C ZINC000336084588 176370871 /nfs/dbraw/zinc/37/08/71/176370871.db2.gz CZSXWWFELHDLRB-YPMHNXCESA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@@H]([NH+](C)CC2CCC2)CC[N@@H+]1C ZINC000336084588 176370872 /nfs/dbraw/zinc/37/08/72/176370872.db2.gz CZSXWWFELHDLRB-YPMHNXCESA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@@H]([NH+](C)CC2CCC2)CC[N@H+]1C ZINC000336084588 176370874 /nfs/dbraw/zinc/37/08/74/176370874.db2.gz CZSXWWFELHDLRB-YPMHNXCESA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+](C)CC2CCC2)CC[NH+]1C ZINC000336084588 176370876 /nfs/dbraw/zinc/37/08/76/176370876.db2.gz CZSXWWFELHDLRB-YPMHNXCESA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CCC2)CC[NH+]1C ZINC000336084588 176370877 /nfs/dbraw/zinc/37/08/77/176370877.db2.gz CZSXWWFELHDLRB-YPMHNXCESA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1ccccc1 ZINC000049708925 176372085 /nfs/dbraw/zinc/37/20/85/176372085.db2.gz NSBXMYHTQVVHAT-OCCSQVGLSA-N 2 1 218.344 2.041 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)CC[N@H+]1C ZINC000309810326 176375685 /nfs/dbraw/zinc/37/56/85/176375685.db2.gz UALWFRSSUWQBJF-KOLCDFICSA-N 2 1 232.318 2.104 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(O)cc2)CC[N@H+]1C ZINC000156113633 176376757 /nfs/dbraw/zinc/37/67/57/176376757.db2.gz STRYNYQFCVQJRC-OCCSQVGLSA-N 2 1 248.370 2.007 20 0 BEADMP C[C@H](C[NH2+]C[C@H]1C[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000309744835 176396761 /nfs/dbraw/zinc/39/67/61/176396761.db2.gz IUCHEYXUIADLKP-AAVRWANBSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H](C[NH2+]C[C@H]1C[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000309744835 176396762 /nfs/dbraw/zinc/39/67/62/176396762.db2.gz IUCHEYXUIADLKP-AAVRWANBSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000235276716 176397170 /nfs/dbraw/zinc/39/71/70/176397170.db2.gz BVHUYVIEEDFQMW-UTUOFQBUSA-N 2 1 210.365 2.010 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000309775594 176398180 /nfs/dbraw/zinc/39/81/80/176398180.db2.gz LPSZJWSLJCBQIJ-KSTCHIGDSA-N 2 1 222.376 2.105 20 0 BEADMP C[C@H](c1ccccc1F)[NH+]1CCC([NH3+])CC1 ZINC000020521492 177041974 /nfs/dbraw/zinc/04/19/74/177041974.db2.gz RHYTWLRXJNKCDZ-SNVBAGLBSA-N 2 1 222.307 2.310 20 0 BEADMP C[C@H](c1cccnc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125341321 177046711 /nfs/dbraw/zinc/04/67/11/177046711.db2.gz NGDLLRXNSMOKIJ-BEAPCOKYSA-N 2 1 245.370 2.202 20 0 BEADMP C[C@H]1CCCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335607810 177083064 /nfs/dbraw/zinc/08/30/64/177083064.db2.gz HVBMYMZDXBTGKI-JSGCOSHPSA-N 2 1 222.376 2.417 20 0 BEADMP C[C@@H]1[C@@H](C)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000050564933 177097865 /nfs/dbraw/zinc/09/78/65/177097865.db2.gz KCSAISMNIWUKGG-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1CC[N@H+](Cc2ccccc2F)C[C@@H]1C[NH3+] ZINC000163393861 177165579 /nfs/dbraw/zinc/16/55/79/177165579.db2.gz DMJHNUVJWANDSQ-AAEUAGOBSA-N 2 1 236.334 2.242 20 0 BEADMP C[C@H]1CC[N@@H+](Cc2ccccc2F)C[C@@H]1C[NH3+] ZINC000163393861 177165580 /nfs/dbraw/zinc/16/55/80/177165580.db2.gz DMJHNUVJWANDSQ-AAEUAGOBSA-N 2 1 236.334 2.242 20 0 BEADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000333233302 177174277 /nfs/dbraw/zinc/17/42/77/177174277.db2.gz CMBMBPCCUGIBCH-GWCFXTLKSA-N 2 1 249.358 2.030 20 0 BEADMP C[C@H]1CC[C@H]1[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000309749274 177207118 /nfs/dbraw/zinc/20/71/18/177207118.db2.gz GJXIWEMLJXENQK-CMPLNLGQSA-N 2 1 219.332 2.036 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000358351119 177234000 /nfs/dbraw/zinc/23/40/00/177234000.db2.gz JWINGNHVDHBKRN-GXTWGEPZSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC000335664601 177254711 /nfs/dbraw/zinc/25/47/11/177254711.db2.gz UIYFUXVTSOJEHF-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1CSC[C@@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000304426326 177306200 /nfs/dbraw/zinc/30/62/00/177306200.db2.gz KJCTVENHWCLTIW-RYUDHWBXSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCCC[NH3+])C1 ZINC000020073479 177313035 /nfs/dbraw/zinc/31/30/35/177313035.db2.gz GDQBXGRTHSJATN-BETUJISGSA-N 2 1 212.381 2.483 20 0 BEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000131760597 177324486 /nfs/dbraw/zinc/32/44/86/177324486.db2.gz OXGZFWVRIBTNJD-JSGCOSHPSA-N 2 1 244.382 2.344 20 0 BEADMP C[C@H]1C[C@@H](C[N@H+]2CCCC2(C)C)CC[NH2+]1 ZINC000235698800 177324709 /nfs/dbraw/zinc/32/47/09/177324709.db2.gz SKCSDAHEWGIHIJ-RYUDHWBXSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC1CCCCC1 ZINC000049710735 177326818 /nfs/dbraw/zinc/32/68/18/177326818.db2.gz NFMMOBFVRUZEOH-AAEUAGOBSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CCc2ccccc2)CC[N@H+]1C ZINC000129596795 177332097 /nfs/dbraw/zinc/33/20/97/177332097.db2.gz PFOBTMUVZQNKRG-ZFWWWQNUSA-N 2 1 232.371 2.301 20 0 BEADMP C[C@H]1C[C@@H]1C[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000336781671 177344991 /nfs/dbraw/zinc/34/49/91/177344991.db2.gz VGFLZNYJNAHTQQ-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1C[C@H](C[N@H+]2CCSC(C)(C)C2)CC[NH2+]1 ZINC000235662458 177362267 /nfs/dbraw/zinc/36/22/67/177362267.db2.gz SIMNHEALXOFQPG-NWDGAFQWSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000235323484 177362857 /nfs/dbraw/zinc/36/28/57/177362857.db2.gz DWKNIUVZVJBHKL-ZOBORPQBSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCc1ccccc1 ZINC000049713022 177365374 /nfs/dbraw/zinc/36/53/74/177365374.db2.gz MTTCZJGUWUHMSE-DZGCQCFKSA-N 2 1 232.371 2.431 20 0 BEADMP C[C@H]1C[C@H]1C[NH2+]CC1([NH+](C)C)CCCC1 ZINC000336772725 177381575 /nfs/dbraw/zinc/38/15/75/177381575.db2.gz YHLMYGCNVJPHIX-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C[C@@H]1C[C@@H]1C ZINC000336755672 177382055 /nfs/dbraw/zinc/38/20/55/177382055.db2.gz XUXMDDFHXMPAKK-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1CCC[C@H](CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000479767288 225192776 /nfs/dbraw/zinc/19/27/76/225192776.db2.gz AUVFLLAFSVICSF-LJISPDSOSA-N 2 1 236.403 2.354 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000488358712 225387389 /nfs/dbraw/zinc/38/73/89/225387389.db2.gz XZNGOGZDKFIUBI-ILXRZTDVSA-N 2 1 236.403 2.450 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](C3CC3)C2)CC[NH2+]1 ZINC000400041232 225345463 /nfs/dbraw/zinc/34/54/63/225345463.db2.gz PANXYSCYJMOLHQ-DYEKYZERSA-N 2 1 222.376 2.106 20 0 BEADMP CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC(C)(C)C ZINC000383610856 487647668 /nfs/dbraw/zinc/64/76/68/487647668.db2.gz SPCKFJQWGSOIEF-CYBMUJFWSA-N 2 1 244.423 2.056 20 0 BEADMP CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC(C)(C)C ZINC000383610856 487647671 /nfs/dbraw/zinc/64/76/71/487647671.db2.gz SPCKFJQWGSOIEF-CYBMUJFWSA-N 2 1 244.423 2.056 20 0 BEADMP CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC(C)(C)C ZINC000383610856 487647674 /nfs/dbraw/zinc/64/76/74/487647674.db2.gz SPCKFJQWGSOIEF-CYBMUJFWSA-N 2 1 244.423 2.056 20 0 BEADMP C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000400440327 226343655 /nfs/dbraw/zinc/34/36/55/226343655.db2.gz MIHPCQKEAXYIGY-AAEUAGOBSA-N 2 1 208.349 2.217 20 0 BEADMP [NH3+]C[C@@H]1C[N@@H+](CCCF)C[C@H]1c1ccccc1 ZINC000305997012 229387422 /nfs/dbraw/zinc/38/74/22/229387422.db2.gz IBLYGQWNXDIKRZ-KGLIPLIRSA-N 2 1 236.334 2.020 20 0 BEADMP C[C@@H](C[NH2+]C[C@H]1CCCC[NH2+]1)C(C)(C)C ZINC000162989848 487676873 /nfs/dbraw/zinc/67/68/73/487676873.db2.gz KLDBHQHUIXOIAV-NWDGAFQWSA-N 2 1 212.381 2.400 20 0 BEADMP CC[C@H](C)C[N@@H+](CC)C[C@@H](O)C[NH+](C)C(C)C ZINC000383842525 487677513 /nfs/dbraw/zinc/67/75/13/487677513.db2.gz ZQXQYXCBICDIEI-KBPBESRZSA-N 2 1 244.423 2.056 20 0 BEADMP CC[C@H](C)C[NH+](CC)C[C@@H](O)C[N@H+](C)C(C)C ZINC000383842525 487677515 /nfs/dbraw/zinc/67/75/15/487677515.db2.gz ZQXQYXCBICDIEI-KBPBESRZSA-N 2 1 244.423 2.056 20 0 BEADMP CC[C@H](C)C[NH+](CC)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000383842525 487677518 /nfs/dbraw/zinc/67/75/18/487677518.db2.gz ZQXQYXCBICDIEI-KBPBESRZSA-N 2 1 244.423 2.056 20 0 BEADMP CC[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000394413134 487678991 /nfs/dbraw/zinc/67/89/91/487678991.db2.gz RNQDJJQAYLLJBD-RWMBFGLXSA-N 2 1 212.381 2.495 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]C[C@@]1(C)CCCS1 ZINC000087793624 487687558 /nfs/dbraw/zinc/68/75/58/487687558.db2.gz ADKMYHXGRNJYRF-GFCCVEGCSA-N 2 1 239.388 2.067 20 0 BEADMP Cc1cncc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000228620252 487693391 /nfs/dbraw/zinc/69/33/91/487693391.db2.gz AQIABUZNKNIVIZ-CQSZACIVSA-N 2 1 233.359 2.093 20 0 BEADMP Cc1cncc(C[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000228620259 487694274 /nfs/dbraw/zinc/69/42/74/487694274.db2.gz AQIABUZNKNIVIZ-AWEZNQCLSA-N 2 1 233.359 2.093 20 0 BEADMP Cc1cncc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000228622549 487695607 /nfs/dbraw/zinc/69/56/07/487695607.db2.gz HZOJCYUDUXESAI-AWEZNQCLSA-N 2 1 235.375 2.195 20 0 BEADMP Cc1cncc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000228622549 487695613 /nfs/dbraw/zinc/69/56/13/487695613.db2.gz HZOJCYUDUXESAI-AWEZNQCLSA-N 2 1 235.375 2.195 20 0 BEADMP Oc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000035054302 487708908 /nfs/dbraw/zinc/70/89/08/487708908.db2.gz PRIGGOKOHGRIAY-UHFFFAOYSA-N 2 1 246.354 2.109 20 0 BEADMP C(CC1CC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336661378 487717793 /nfs/dbraw/zinc/71/77/93/487717793.db2.gz CCFUFRUINDODOU-UHFFFAOYSA-N 2 1 208.349 2.003 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000336712242 487719137 /nfs/dbraw/zinc/71/91/37/487719137.db2.gz UXDBETCNMITXON-GRYCIOLGSA-N 2 1 230.421 2.058 20 0 BEADMP CC[C@@]1(C)CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000379462401 487734546 /nfs/dbraw/zinc/73/45/46/487734546.db2.gz UKWLVJVPNUJENT-OLZOCXBDSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@H]([N@@H+](C)CC[C@H]1CC[NH2+]C1)C(C)(C)C ZINC000251027308 487746578 /nfs/dbraw/zinc/74/65/78/487746578.db2.gz GTOFTBSJCQXCOL-NWDGAFQWSA-N 2 1 212.381 2.352 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1nccs1 ZINC000223022474 487749258 /nfs/dbraw/zinc/74/92/58/487749258.db2.gz ZSQVGJXGSQNFSC-MXWKQRLJSA-N 2 1 239.388 2.454 20 0 BEADMP CC[C@H]1C[N@@H+](Cc2ccsc2)CC[C@H]1[NH3+] ZINC000251691383 487790401 /nfs/dbraw/zinc/79/04/01/487790401.db2.gz IKDYGKRRAHYDRX-NWDGAFQWSA-N 2 1 224.373 2.307 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000322071205 487803521 /nfs/dbraw/zinc/80/35/21/487803521.db2.gz SKUFCUKCRXYVDX-RVMXOQNASA-N 2 1 212.381 2.351 20 0 BEADMP CC[C@@H]1C[N@H+]([C@H](C)c2ccccn2)CC[C@H]1[NH3+] ZINC000251884536 487805844 /nfs/dbraw/zinc/80/58/44/487805844.db2.gz VMGMNDIWKUHLMT-JHJVBQTASA-N 2 1 233.359 2.202 20 0 BEADMP [NH3+]CCC[N@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000414671210 487817300 /nfs/dbraw/zinc/81/73/00/487817300.db2.gz NJYRXTJMEMADEO-CQSZACIVSA-N 2 1 233.359 2.348 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@H]([NH3+])C[C@H]1C)C(C)(C)C ZINC000252152307 487819123 /nfs/dbraw/zinc/81/91/23/487819123.db2.gz OSQMGWAKOYHMCE-TUAOUCFPSA-N 2 1 212.381 2.480 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C)C(C)(C)C ZINC000252152306 487819301 /nfs/dbraw/zinc/81/93/01/487819301.db2.gz OSQMGWAKOYHMCE-QJPTWQEYSA-N 2 1 212.381 2.480 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CS1 ZINC000322749043 487821914 /nfs/dbraw/zinc/82/19/14/487821914.db2.gz WWRJRMKDDPJEJO-NZISVWNOSA-N 2 1 240.416 2.095 20 0 BEADMP COc1ccc2c(c1)C[C@@H](C)[N@H+](CCC[NH3+])[C@H]2C ZINC000414753531 487821901 /nfs/dbraw/zinc/82/19/01/487821901.db2.gz DUHPAQMWWMJJBB-NEPJUHHUSA-N 2 1 248.370 2.352 20 0 BEADMP CC[N@@H+](CCC[NH3+])[C@H](C)Cc1ccsc1 ZINC000414759525 487823130 /nfs/dbraw/zinc/82/31/30/487823130.db2.gz OQECBDWIVNABMI-LLVKDONJSA-N 2 1 226.389 2.350 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000558258051 322948262 /nfs/dbraw/zinc/94/82/62/322948262.db2.gz OPXJLSIAMKPOIJ-CHWSQXEVSA-N 2 1 235.375 2.377 20 0 BEADMP C[C@H]1c2ccc(F)cc2CC[N@H+]1CCC[NH3+] ZINC000666642771 487849818 /nfs/dbraw/zinc/84/98/18/487849818.db2.gz OKNXDQGJHUSGCS-JTQLQIEISA-N 2 1 222.307 2.094 20 0 BEADMP C[C@H]1c2ccc(F)cc2CC[N@@H+]1CCC[NH3+] ZINC000666642771 487849823 /nfs/dbraw/zinc/84/98/23/487849823.db2.gz OKNXDQGJHUSGCS-JTQLQIEISA-N 2 1 222.307 2.094 20 0 BEADMP CC(C)CC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000109454541 487866668 /nfs/dbraw/zinc/86/66/68/487866668.db2.gz ILEUZGUOURLIAU-UHFFFAOYSA-N 2 1 210.365 2.249 20 0 BEADMP [NH3+]C[C@@H]([NH2+]Cc1ccc2cnccc2c1)C1CC1 ZINC000666746643 487870879 /nfs/dbraw/zinc/87/08/79/487870879.db2.gz QKPZGKPSTOANSL-OAHLLOKOSA-N 2 1 241.338 2.062 20 0 BEADMP CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770543 487877012 /nfs/dbraw/zinc/87/70/12/487877012.db2.gz IKEQDHPSAHMUGU-OLZOCXBDSA-N 2 1 212.381 2.400 20 0 BEADMP c1cc2cnccc2c(C[NH2+][C@H]2CCCNC2)c1 ZINC000666814195 487884384 /nfs/dbraw/zinc/88/43/84/487884384.db2.gz XZSBFELPCLGTIW-AWEZNQCLSA-N 2 1 241.338 2.076 20 0 BEADMP C[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1C[NH3+] ZINC000251773602 644821207 /nfs/dbraw/zinc/82/12/07/644821207.db2.gz MNOXUMAHZZXGNV-RYUDHWBXSA-N 2 1 212.381 2.339 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1cccc2cnccc21 ZINC000666910417 487901922 /nfs/dbraw/zinc/90/19/22/487901922.db2.gz FZWZZSGDYUTFLJ-ZDUSSCGKSA-N 2 1 229.327 2.062 20 0 BEADMP CCc1ccc(C[N@@H+](C)CC2CN(C)C2)cc1 ZINC000668538265 487903212 /nfs/dbraw/zinc/90/32/12/487903212.db2.gz YHWCNNOUWNGISA-UHFFFAOYSA-N 2 1 232.371 2.242 20 0 BEADMP C[N@@H+](CCC[NH3+])CCSc1ccccc1 ZINC000133196336 487912749 /nfs/dbraw/zinc/91/27/49/487912749.db2.gz AMAUDPYRHXMNLF-UHFFFAOYSA-N 2 1 224.373 2.059 20 0 BEADMP Cc1ccncc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993980 487923900 /nfs/dbraw/zinc/92/39/00/487923900.db2.gz ZMMPFQOFERCUJV-AWEZNQCLSA-N 2 1 245.370 2.154 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc2cnccc2c1 ZINC000667054927 487934784 /nfs/dbraw/zinc/93/47/84/487934784.db2.gz IQYJOZKKSWNQGA-UHFFFAOYSA-N 2 1 243.354 2.276 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C[C@@H](C)CC ZINC000245547141 323006688 /nfs/dbraw/zinc/00/66/88/323006688.db2.gz XCQIAPJQSUNJRJ-NWDGAFQWSA-N 2 1 200.370 2.352 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C[C@@H](C)CC ZINC000245547141 323006689 /nfs/dbraw/zinc/00/66/89/323006689.db2.gz XCQIAPJQSUNJRJ-NWDGAFQWSA-N 2 1 200.370 2.352 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnoc1C ZINC000562482034 323021333 /nfs/dbraw/zinc/02/13/33/323021333.db2.gz VOAHDXKUVCZWKS-UHFFFAOYSA-N 2 1 248.330 2.010 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnoc1C ZINC000562482034 323021334 /nfs/dbraw/zinc/02/13/34/323021334.db2.gz VOAHDXKUVCZWKS-UHFFFAOYSA-N 2 1 248.330 2.010 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC12CCOCC2 ZINC000562956242 323034931 /nfs/dbraw/zinc/03/49/31/323034931.db2.gz KSDMXYYMJGITPV-OLZOCXBDSA-N 2 1 240.391 2.053 20 0 BEADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(F)(F)F)C[C@H]1C[NH3+] ZINC000397358749 323049078 /nfs/dbraw/zinc/04/90/78/323049078.db2.gz FXCHDWFJEAYAJK-OPRDCNLKSA-N 2 1 238.297 2.244 20 0 BEADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000570673559 323066685 /nfs/dbraw/zinc/06/66/85/323066685.db2.gz DHTVHKBKHRYKEK-DGCLKSJQSA-N 2 1 249.358 2.159 20 0 BEADMP Cc1cccnc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397254635 323077407 /nfs/dbraw/zinc/07/74/07/323077407.db2.gz FAYJGITWBMYPMX-RDBSUJKOSA-N 2 1 247.386 2.195 20 0 BEADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccccn1 ZINC000517023932 323081331 /nfs/dbraw/zinc/08/13/31/323081331.db2.gz AHCOXQOJZQHSPX-GFCCVEGCSA-N 2 1 221.348 2.120 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000571037875 323104437 /nfs/dbraw/zinc/10/44/37/323104437.db2.gz KTGCXCMSAXKKCJ-BXUZGUMPSA-N 2 1 248.370 2.400 20 0 BEADMP Cc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)c(C)s1 ZINC000563415421 323123440 /nfs/dbraw/zinc/12/34/40/323123440.db2.gz XLQJOSICBPZIMX-LBPRGKRZSA-N 2 1 224.373 2.192 20 0 BEADMP Cc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)c(C)s1 ZINC000563415414 323123494 /nfs/dbraw/zinc/12/34/94/323123494.db2.gz XLQJOSICBPZIMX-GFCCVEGCSA-N 2 1 224.373 2.192 20 0 BEADMP C[C@@H]1CC([NH2+]CCc2c[nH+]cn2C)C[C@@H](C)C1 ZINC000401813575 323127388 /nfs/dbraw/zinc/12/73/88/323127388.db2.gz VXNTXXFELJVLQF-RYUDHWBXSA-N 2 1 235.375 2.377 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccnc2ccccc12 ZINC000571504663 323146120 /nfs/dbraw/zinc/14/61/20/323146120.db2.gz VIARQNVKJUNYCH-CQSZACIVSA-N 2 1 243.354 2.308 20 0 BEADMP Cc1ccc(CCC[NH2+][C@H]2CCC[NH2+][C@H]2C)cn1 ZINC000414960164 323152301 /nfs/dbraw/zinc/15/23/01/323152301.db2.gz ULZQDYWNRPUHPO-ZFWWWQNUSA-N 3 1 247.386 2.053 20 0 BEADMP CC[C@H]1CCC[C@@H]1[NH2+]CCC[N@@H+](C)CCOC ZINC000531940476 323155993 /nfs/dbraw/zinc/15/59/93/323155993.db2.gz ABPVOGTWFPBYOT-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP C(CC1CCCCC1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000395115360 323187570 /nfs/dbraw/zinc/18/75/70/323187570.db2.gz IREDKDHZTHIYSU-GASCZTMLSA-N 2 1 236.403 2.498 20 0 BEADMP CCc1ccc(CNC[C@H]2CCC[N@@H+](C)C2)o1 ZINC000051724957 323190811 /nfs/dbraw/zinc/19/08/11/323190811.db2.gz NLYRHVPBKINLCC-GFCCVEGCSA-N 2 1 236.359 2.273 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC1CC(C)(C)C1 ZINC000530225310 323219044 /nfs/dbraw/zinc/21/90/44/323219044.db2.gz VNGCNHGMVONRSI-ZYHUDNBSSA-N 2 1 210.365 2.234 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)o1 ZINC000532450370 323265135 /nfs/dbraw/zinc/26/51/35/323265135.db2.gz CVFGAVALJIIATO-SMDDNHRTSA-N 2 1 236.359 2.060 20 0 BEADMP CC1CCC([NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396708650 323653734 /nfs/dbraw/zinc/65/37/34/323653734.db2.gz OKANJBCXBRHBHB-POOIEITISA-N 2 1 210.365 2.295 20 0 BEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CC12CC2 ZINC000527845777 323704115 /nfs/dbraw/zinc/70/41/15/323704115.db2.gz JKJFMHBZOWMRJY-SMDDNHRTSA-N 2 1 234.387 2.391 20 0 BEADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CCC1 ZINC000122720565 324054507 /nfs/dbraw/zinc/05/45/07/324054507.db2.gz UAHJAVIUJKEGDE-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@@H](C)[N@@H+](CC2CCCC2)C[C@@H]1C[NH3+] ZINC000397331359 324212173 /nfs/dbraw/zinc/21/21/73/324212173.db2.gz RBIVBSCRVIAOEI-BZPMIXESSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@H](Cc1cccs1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000235462358 487966486 /nfs/dbraw/zinc/96/64/86/487966486.db2.gz JAHBPOIVHAGJCR-VXGBXAGGSA-N 2 1 238.400 2.411 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](F)C2)CC[N@@H+]1C ZINC000567352306 326171891 /nfs/dbraw/zinc/17/18/91/326171891.db2.gz ZQCWLJFNFXIHRT-FVCCEPFGSA-N 2 1 228.355 2.339 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](F)C2)CC[N@H+]1C ZINC000567352306 326171894 /nfs/dbraw/zinc/17/18/94/326171894.db2.gz ZQCWLJFNFXIHRT-FVCCEPFGSA-N 2 1 228.355 2.339 20 0 BEADMP CCC[N@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000567483387 326202013 /nfs/dbraw/zinc/20/20/13/326202013.db2.gz ZBBJOXGVDDMSAZ-UHFFFAOYSA-N 2 1 221.348 2.227 20 0 BEADMP CCC[N@@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000567483387 326202015 /nfs/dbraw/zinc/20/20/15/326202015.db2.gz ZBBJOXGVDDMSAZ-UHFFFAOYSA-N 2 1 221.348 2.227 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC(C2CC2)C2CC2)CC[N@H+]1C ZINC000156602532 326236828 /nfs/dbraw/zinc/23/68/28/326236828.db2.gz IUESWCRPDJRQHM-RISCZKNCSA-N 2 1 236.403 2.495 20 0 BEADMP CC[NH+]1CCC([N@H+](C)CC=C(C)C)CC1 ZINC000157416154 326273675 /nfs/dbraw/zinc/27/36/75/326273675.db2.gz SUKDBQPATIQEBF-UHFFFAOYSA-N 2 1 210.365 2.369 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)CC=C(C)C)CC1 ZINC000157416154 326273677 /nfs/dbraw/zinc/27/36/77/326273677.db2.gz SUKDBQPATIQEBF-UHFFFAOYSA-N 2 1 210.365 2.369 20 0 BEADMP COC[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000157897586 326299219 /nfs/dbraw/zinc/29/92/19/326299219.db2.gz TXPQUMGADNBVOA-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(F)c1F ZINC000568087473 326306732 /nfs/dbraw/zinc/30/67/32/326306732.db2.gz GTGGWXXUVXKIAH-RKDXNWHRSA-N 2 1 228.286 2.180 20 0 BEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCC1(C)C ZINC000314916694 326311396 /nfs/dbraw/zinc/31/13/96/326311396.db2.gz OXYMKHKFDLWUII-GFCCVEGCSA-N 2 1 221.348 2.131 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000677236878 488003994 /nfs/dbraw/zinc/00/39/94/488003994.db2.gz VLBTZYFYIMMGPE-KGLIPLIRSA-N 2 1 248.370 2.347 20 0 BEADMP Cc1ncc(C[N@@H+](C)C2CCCC2)n1C ZINC000667491806 488025155 /nfs/dbraw/zinc/02/51/55/488025155.db2.gz IHXBTLAAYHCHCH-UHFFFAOYSA-N 2 1 207.321 2.103 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C[C@H](C)C(C)(C)C ZINC000388685207 488052476 /nfs/dbraw/zinc/05/24/76/488052476.db2.gz KHXOSIPEJALIRE-NSHDSACASA-N 2 1 200.370 2.210 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000663509741 488055450 /nfs/dbraw/zinc/05/54/50/488055450.db2.gz ACXOMDMBAMVOET-STQMWFEESA-N 2 1 220.360 2.378 20 0 BEADMP C[N@H+]1CC[C@@H](NCc2ccccn2)CC1(C)C ZINC000084519279 488056949 /nfs/dbraw/zinc/05/69/49/488056949.db2.gz FXNAWHPZCGDJFC-GFCCVEGCSA-N 2 1 233.359 2.044 20 0 BEADMP Cc1ncc(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)n1C ZINC000667649647 488072505 /nfs/dbraw/zinc/07/25/05/488072505.db2.gz ZPDPZCTXZTZVPH-QWRGUYRKSA-N 2 1 221.348 2.206 20 0 BEADMP C[C@H](c1cccnc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257674669 488079549 /nfs/dbraw/zinc/07/95/49/488079549.db2.gz FMTUFCZIDQZBPJ-UKRRQHHQSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@H](c1cccnc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257674669 488079555 /nfs/dbraw/zinc/07/95/55/488079555.db2.gz FMTUFCZIDQZBPJ-UKRRQHHQSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@@H](c1ccccn1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257700975 488082420 /nfs/dbraw/zinc/08/24/20/488082420.db2.gz LGJBDSCWYLDNPS-ZFWWWQNUSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@@H](c1ccccn1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257700975 488082425 /nfs/dbraw/zinc/08/24/25/488082425.db2.gz LGJBDSCWYLDNPS-ZFWWWQNUSA-N 2 1 245.370 2.218 20 0 BEADMP CC[C@H]1C[N@@H+](CCc2ccccc2)CC[C@H]1[NH3+] ZINC000006780184 488089108 /nfs/dbraw/zinc/08/91/08/488089108.db2.gz JBWFBMMQKGBHTC-LSDHHAIUSA-N 2 1 232.371 2.288 20 0 BEADMP Cc1ccc([C@H]2CC[N@@H+](CCC[NH3+])C2)cc1 ZINC000516423695 488099116 /nfs/dbraw/zinc/09/91/16/488099116.db2.gz QSLODHHDXYJZNA-AWEZNQCLSA-N 2 1 218.344 2.133 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667774195 488117530 /nfs/dbraw/zinc/11/75/30/488117530.db2.gz BDNJXNJFCWFHCZ-YIYPIFLZSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403375562 488122154 /nfs/dbraw/zinc/12/21/54/488122154.db2.gz KEHPKZWJWUMXPE-RKQHYHRCSA-N 2 1 222.376 2.234 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667796576 488123241 /nfs/dbraw/zinc/12/32/41/488123241.db2.gz PJECVSPMODDHMB-APIJFGDWSA-N 2 1 236.403 2.497 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667796577 488123429 /nfs/dbraw/zinc/12/34/29/488123429.db2.gz PJECVSPMODDHMB-KBXIAJHMSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1occc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000321146696 488128533 /nfs/dbraw/zinc/12/85/33/488128533.db2.gz YXMUIQAMDBOUKO-ZDUSSCGKSA-N 2 1 236.359 2.408 20 0 BEADMP Cc1occc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000321146696 488128536 /nfs/dbraw/zinc/12/85/36/488128536.db2.gz YXMUIQAMDBOUKO-ZDUSSCGKSA-N 2 1 236.359 2.408 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@@H]1C[NH3+] ZINC000403676150 488130027 /nfs/dbraw/zinc/13/00/27/488130027.db2.gz VQKPSJBUTWGCDH-ZSAUSMIDSA-N 2 1 236.403 2.339 20 0 BEADMP Cc1cc(C)cc(OCC[NH+]2CCC([NH3+])CC2)c1 ZINC000020266792 487539502 /nfs/dbraw/zinc/53/95/02/487539502.db2.gz QYFVQWXCHKBJEX-UHFFFAOYSA-N 2 1 248.370 2.105 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000382425492 487543225 /nfs/dbraw/zinc/54/32/25/487543225.db2.gz YAYJLFNFVBABBH-RDBSUJKOSA-N 2 1 224.392 2.495 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000392789845 487555274 /nfs/dbraw/zinc/55/52/74/487555274.db2.gz DVNNCVLGFCPFEU-GFCCVEGCSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@H](C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21)C(C)(C)C ZINC000304355626 487488353 /nfs/dbraw/zinc/48/83/53/487488353.db2.gz XUXXISCHWDYECG-FRRDWIJNSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000300058275 487500423 /nfs/dbraw/zinc/50/04/23/487500423.db2.gz WONDFTPILQDEDV-JHJVBQTASA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000300058274 487500555 /nfs/dbraw/zinc/50/05/55/487500555.db2.gz WONDFTPILQDEDV-AGIUHOORSA-N 2 1 210.365 2.297 20 0 BEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000668236712 487518420 /nfs/dbraw/zinc/51/84/20/487518420.db2.gz UOSBEYXVALMPSV-LJISPDSOSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000662273267 487520609 /nfs/dbraw/zinc/52/06/09/487520609.db2.gz KYDFHZIPGMSJCH-IJLUTSLNSA-N 2 1 246.345 2.352 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000662273267 487520613 /nfs/dbraw/zinc/52/06/13/487520613.db2.gz KYDFHZIPGMSJCH-IJLUTSLNSA-N 2 1 246.345 2.352 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250543444 487734234 /nfs/dbraw/zinc/73/42/34/487734234.db2.gz CHFWAZGVJCVBOG-UONOGXRCSA-N 2 1 224.392 2.497 20 0 BEADMP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)cc1C ZINC000259008570 488146710 /nfs/dbraw/zinc/14/67/10/488146710.db2.gz XKDASSUQFHPEOV-AWEZNQCLSA-N 2 1 248.370 2.045 20 0 BEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cccs1)C2 ZINC000390585847 488167762 /nfs/dbraw/zinc/16/77/62/488167762.db2.gz QRUYVOYMABJXJB-AAEUAGOBSA-N 2 1 236.384 2.309 20 0 BEADMP C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)C1CCC1 ZINC000398657920 488221392 /nfs/dbraw/zinc/22/13/92/488221392.db2.gz NKEUGSFADNMZNP-OKILXGFUSA-N 2 1 222.376 2.108 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC3CCC3)C[C@H]21 ZINC000398648927 488221524 /nfs/dbraw/zinc/22/15/24/488221524.db2.gz KOQRZXPAAWOLSL-MGPQQGTHSA-N 2 1 222.376 2.236 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC3CCC3)C[C@@H]21 ZINC000398648924 488221803 /nfs/dbraw/zinc/22/18/03/488221803.db2.gz KOQRZXPAAWOLSL-MELADBBJSA-N 2 1 222.376 2.236 20 0 BEADMP CCC1([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CCOCC1 ZINC000679152024 488313745 /nfs/dbraw/zinc/31/37/45/488313745.db2.gz XPBSZAUGHZZREQ-OLZOCXBDSA-N 2 1 240.391 2.018 20 0 BEADMP CCC1([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCOCC1 ZINC000679152024 488313746 /nfs/dbraw/zinc/31/37/46/488313746.db2.gz XPBSZAUGHZZREQ-OLZOCXBDSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000679331726 488340837 /nfs/dbraw/zinc/34/08/37/488340837.db2.gz POIQWVPREBZBCR-LLVKDONJSA-N 2 1 238.379 2.099 20 0 BEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000679331726 488340840 /nfs/dbraw/zinc/34/08/40/488340840.db2.gz POIQWVPREBZBCR-LLVKDONJSA-N 2 1 238.379 2.099 20 0 BEADMP CCc1cc(N[C@@H](C)C2=CC[N@@H+](C)CC2)ncn1 ZINC000679708767 488364985 /nfs/dbraw/zinc/36/49/85/488364985.db2.gz YADOFLQYMYPMLC-NSHDSACASA-N 2 1 246.358 2.101 20 0 BEADMP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000220594063 490052074 /nfs/dbraw/zinc/05/20/74/490052074.db2.gz MJFNSLXGICIUJR-LOWDOPEQSA-N 2 1 240.416 2.097 20 0 BEADMP C(=C/C[N@@H+]1CC=CCC1)\C[NH+]1CC=CCC1 ZINC000679322269 490113668 /nfs/dbraw/zinc/11/36/68/490113668.db2.gz YIXYOJUFEHVRFK-BQYQJAHWSA-N 2 1 218.344 2.066 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC=CCC1 ZINC000679322316 490114133 /nfs/dbraw/zinc/11/41/33/490114133.db2.gz DUWKVIJUMFIIAQ-UHFFFAOYSA-N 2 1 219.332 2.234 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC=CCC1 ZINC000679322316 490114139 /nfs/dbraw/zinc/11/41/39/490114139.db2.gz DUWKVIJUMFIIAQ-UHFFFAOYSA-N 2 1 219.332 2.234 20 0 BEADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000309223606 490130047 /nfs/dbraw/zinc/13/00/47/490130047.db2.gz HEGQHFGVCGBVOZ-NSHDSACASA-N 2 1 222.376 2.249 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]CC2CCC2)CC1(C)C ZINC000623378732 490131627 /nfs/dbraw/zinc/13/16/27/490131627.db2.gz NSYSTULCZPBYRU-GFCCVEGCSA-N 2 1 210.365 2.249 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2ccnc3ccccc23)CCC1 ZINC000560943729 490479258 /nfs/dbraw/zinc/47/92/58/490479258.db2.gz RPWJJIVDYDMEOS-UHFFFAOYSA-N 2 1 241.338 2.206 20 0 BEADMP CC[C@@H](C)[N@@H+](CC)CCC1CC[NH2+]CC1 ZINC000037113337 491078572 /nfs/dbraw/zinc/07/85/72/491078572.db2.gz TVDVLKIQNXTURS-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CC(C)[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156369553 491132078 /nfs/dbraw/zinc/13/20/78/491132078.db2.gz YKSVDSMVMMQRMJ-UPJWGTAASA-N 2 1 212.381 2.351 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCCC1(F)F)[C@H]1CCC[NH2+]1 ZINC000400480247 533905766 /nfs/dbraw/zinc/90/57/66/533905766.db2.gz VYKSHUMMMFJIRX-HBNTYKKESA-N 2 1 232.318 2.152 20 0 BEADMP C[C@@H]1C[C@H]1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000488320627 534018193 /nfs/dbraw/zinc/01/81/93/534018193.db2.gz MRGLOPBFEBKOIE-OCCSQVGLSA-N 2 1 247.386 2.331 20 0 BEADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000251378292 535946767 /nfs/dbraw/zinc/94/67/67/535946767.db2.gz SKLBFACROWMELS-IHRRRGAJSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CCc2c[nH+]cn2C)[C@@H](C)C1 ZINC000401729732 534256398 /nfs/dbraw/zinc/25/63/98/534256398.db2.gz AUIOTEAZEZMGES-DYEKYZERSA-N 2 1 235.375 2.377 20 0 BEADMP CCc1nc(NCC2(C)CC[NH2+]CC2)cc(C)[nH+]1 ZINC000261568256 536126085 /nfs/dbraw/zinc/12/60/85/536126085.db2.gz JBVBGCZHHTZWJH-UHFFFAOYSA-N 2 1 248.374 2.149 20 0 BEADMP CCc1nc(NC2CCC([NH3+])CC2)cc(C)[nH+]1 ZINC000261545942 536126475 /nfs/dbraw/zinc/12/64/75/536126475.db2.gz GKZMTTOEGNRLPL-UHFFFAOYSA-N 2 1 234.347 2.029 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261585233 536178719 /nfs/dbraw/zinc/17/87/19/536178719.db2.gz SWJQHFZZMYXRIT-CVEARBPZSA-N 2 1 244.382 2.433 20 0 BEADMP CC(C)(C)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252877789 534605046 /nfs/dbraw/zinc/60/50/46/534605046.db2.gz WWFMSKPLNWUSJC-SDDRHHMPSA-N 2 1 210.365 2.092 20 0 BEADMP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000262023037 534720555 /nfs/dbraw/zinc/72/05/55/534720555.db2.gz YQNRSTMFAOZHBG-RYUDHWBXSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000262023037 534720557 /nfs/dbraw/zinc/72/05/57/534720557.db2.gz YQNRSTMFAOZHBG-RYUDHWBXSA-N 2 1 210.365 2.249 20 0 BEADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CC(C)(C)[NH3+])c1 ZINC000261588042 534759937 /nfs/dbraw/zinc/75/99/37/534759937.db2.gz VKCULNQVLKABEF-JTQLQIEISA-N 2 1 249.358 2.033 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]C/C=C\c2ccncc2)C1 ZINC000486986779 527815347 /nfs/dbraw/zinc/81/53/47/527815347.db2.gz ZKHLNODXCAUKFB-ABCZVMIZSA-N 2 1 245.370 2.026 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@@H]2C)C[C@H]1C ZINC000488302147 527833021 /nfs/dbraw/zinc/83/30/21/527833021.db2.gz SEQJWIANPMUGFG-CRWXNKLISA-N 2 1 224.392 2.447 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2C[C@@H]2C)C[C@H]1C ZINC000488302147 527833026 /nfs/dbraw/zinc/83/30/26/527833026.db2.gz SEQJWIANPMUGFG-CRWXNKLISA-N 2 1 224.392 2.447 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2C[C@@H]2C)C[C@H]1C ZINC000488302147 527833032 /nfs/dbraw/zinc/83/30/32/527833032.db2.gz SEQJWIANPMUGFG-CRWXNKLISA-N 2 1 224.392 2.447 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2C[C@H]2C)C1 ZINC000488321745 527838078 /nfs/dbraw/zinc/83/80/78/527838078.db2.gz NRIMXTQTWXXTBZ-HZSPNIEDSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2C)C1 ZINC000488321745 527838082 /nfs/dbraw/zinc/83/80/82/527838082.db2.gz NRIMXTQTWXXTBZ-HZSPNIEDSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2C[C@H]2C)C1 ZINC000488321745 527838072 /nfs/dbraw/zinc/83/80/72/527838072.db2.gz NRIMXTQTWXXTBZ-HZSPNIEDSA-N 2 1 224.392 2.306 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@H](C2CC2)C1 ZINC000400006186 528347782 /nfs/dbraw/zinc/34/77/82/528347782.db2.gz RLKLPELXYBQTEU-QWHCGFSZSA-N 2 1 210.365 2.092 20 0 BEADMP CCCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000174773427 528368785 /nfs/dbraw/zinc/36/87/85/528368785.db2.gz ALXVSQKROVXQKK-QWHCGFSZSA-N 2 1 212.381 2.449 20 0 BEADMP CCCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000174773427 528368787 /nfs/dbraw/zinc/36/87/87/528368787.db2.gz ALXVSQKROVXQKK-QWHCGFSZSA-N 2 1 212.381 2.449 20 0 BEADMP CCCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000174773427 528368791 /nfs/dbraw/zinc/36/87/91/528368791.db2.gz ALXVSQKROVXQKK-QWHCGFSZSA-N 2 1 212.381 2.449 20 0 BEADMP CC[C@H]1CC[C@H]1[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000309090175 529258057 /nfs/dbraw/zinc/25/80/57/529258057.db2.gz BXABFRUWHKBKTL-FRRDWIJNSA-N 2 1 212.381 2.493 20 0 BEADMP CC[C@H]1CC[C@H]1[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000309090175 529258058 /nfs/dbraw/zinc/25/80/58/529258058.db2.gz BXABFRUWHKBKTL-FRRDWIJNSA-N 2 1 212.381 2.493 20 0 BEADMP CCC(CC)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250372696 535081707 /nfs/dbraw/zinc/08/17/07/535081707.db2.gz AMBGMZFHRRFJPT-OLZOCXBDSA-N 2 1 210.365 2.391 20 0 BEADMP CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000222174275 535157871 /nfs/dbraw/zinc/15/78/71/535157871.db2.gz OVMULWGSSVCFKN-VXGBXAGGSA-N 2 1 208.349 2.003 20 0 BEADMP CCC([NH3+])(CC)CNc1cc(C)[nH+]c(C)n1 ZINC000168514382 535195760 /nfs/dbraw/zinc/19/57/60/535195760.db2.gz MSQJUZLTDFESCU-UHFFFAOYSA-N 2 1 222.336 2.023 20 0 BEADMP CC[NH+]1CCC([N@H+](C)CCc2ccncc2)CC1 ZINC000077249454 535458358 /nfs/dbraw/zinc/45/83/58/535458358.db2.gz MKFXSLVRXXHBLT-UHFFFAOYSA-N 2 1 247.386 2.040 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)CCc2ccncc2)CC1 ZINC000077249454 535458362 /nfs/dbraw/zinc/45/83/62/535458362.db2.gz MKFXSLVRXXHBLT-UHFFFAOYSA-N 2 1 247.386 2.040 20 0 BEADMP CC[NH+](CC)CCC[N@H+](C)C[C@H]1CCCCO1 ZINC000348316166 535503204 /nfs/dbraw/zinc/50/32/04/535503204.db2.gz XCIGENARBQPEQX-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](C)C[C@H]1CCCCO1 ZINC000348316166 535503208 /nfs/dbraw/zinc/50/32/08/535503208.db2.gz XCIGENARBQPEQX-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP CC[C@@H](C)C[N@@H+](CC)C[C@@]1(C)CC[NH2+]C1 ZINC000223399873 535509564 /nfs/dbraw/zinc/50/95/64/535509564.db2.gz YSMFLGKSOAHNRM-OLZOCXBDSA-N 2 1 212.381 2.354 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H]1C ZINC000249933608 535590806 /nfs/dbraw/zinc/59/08/06/535590806.db2.gz FKRQBNSLXBNQBZ-AGIUHOORSA-N 2 1 212.381 2.495 20 0 BEADMP CCS[C@H]1CC[C@H]([N@@H+](C)CC(C)(C)[NH3+])C1 ZINC000261560082 535729447 /nfs/dbraw/zinc/72/94/47/535729447.db2.gz ZNJAYPDIJYZKSN-QWRGUYRKSA-N 2 1 230.421 2.330 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C2CC(C)C2)[C@@H](C)C1 ZINC000222168807 535768863 /nfs/dbraw/zinc/76/88/63/535768863.db2.gz ZITIMHXPCDOWNA-MVKMKZAISA-N 2 1 210.365 2.105 20 0 BEADMP CC[C@]1(C)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261542675 535908948 /nfs/dbraw/zinc/90/89/48/535908948.db2.gz HDPHWVWEOUHSPO-CYBMUJFWSA-N 2 1 210.365 2.108 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000130237047 535937631 /nfs/dbraw/zinc/93/76/31/535937631.db2.gz SKLBFACROWMELS-MCIONIFRSA-N 2 1 222.376 2.391 20 0 BEADMP CCc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261587433 536179576 /nfs/dbraw/zinc/17/95/76/536179576.db2.gz VBPDECJCQVLOEJ-JYJNAYRXSA-N 2 1 244.382 2.418 20 0 BEADMP CCc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000252697448 536180062 /nfs/dbraw/zinc/18/00/62/536180062.db2.gz HMBKIVGFRFODGX-DOMZBBRYSA-N 2 1 232.371 2.418 20 0 BEADMP CC[C@H]1[C@@H](C)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000261546631 536181121 /nfs/dbraw/zinc/18/11/21/536181121.db2.gz LCGFSXSDRPPVDA-AAEUAGOBSA-N 2 1 210.365 2.106 20 0 BEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCSCC1 ZINC000335934799 536357537 /nfs/dbraw/zinc/35/75/37/536357537.db2.gz NEQWBPHGMLWJBK-ZDUSSCGKSA-N 2 1 242.432 2.300 20 0 BEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCSCC1 ZINC000335934799 536357540 /nfs/dbraw/zinc/35/75/40/536357540.db2.gz NEQWBPHGMLWJBK-ZDUSSCGKSA-N 2 1 242.432 2.300 20 0 BEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCCSCC1 ZINC000335934799 536357542 /nfs/dbraw/zinc/35/75/42/536357542.db2.gz NEQWBPHGMLWJBK-ZDUSSCGKSA-N 2 1 242.432 2.300 20 0 BEADMP Cc1cc([NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)ccc1N ZINC000853248298 588729064 /nfs/dbraw/zinc/72/90/64/588729064.db2.gz RENBQPGIWKJPIX-RYUDHWBXSA-N 2 1 233.359 2.377 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)CSC(C)(C)C ZINC000854231655 588781600 /nfs/dbraw/zinc/78/16/00/588781600.db2.gz ISPWYRBHXJCSSY-VHSXEESVSA-N 2 1 218.410 2.104 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000348089609 582495761 /nfs/dbraw/zinc/49/57/61/582495761.db2.gz UBUDWFOKDOFFKN-SNPRPXQTSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1noc(C)c1[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000092339353 582855790 /nfs/dbraw/zinc/85/57/90/582855790.db2.gz NXXCKWMMBZSXOZ-VIFPVBQESA-N 2 1 248.330 2.147 20 0 BEADMP CCCSC[C@@H](C)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000892628414 582933541 /nfs/dbraw/zinc/93/35/41/582933541.db2.gz LDBCTWJZFXNMKX-YPMHNXCESA-N 2 1 244.448 2.448 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CCCC3(CC3)C2)CC1 ZINC000893663636 583190667 /nfs/dbraw/zinc/19/06/67/583190667.db2.gz JYDNCPGVAJYXAD-UHFFFAOYSA-N 2 1 222.376 2.204 20 0 BEADMP CC(C)C[C@H]1C[C@@H]([NH2+]Cc2c[nH]cn2)CCO1 ZINC000894374901 583441691 /nfs/dbraw/zinc/44/16/91/583441691.db2.gz HIHDFQPDDAFSPA-AAEUAGOBSA-N 2 1 237.347 2.093 20 0 BEADMP CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2c[nH]cn2)CCO1 ZINC000894374903 583441926 /nfs/dbraw/zinc/44/19/26/583441926.db2.gz HIHDFQPDDAFSPA-WCQYABFASA-N 2 1 237.347 2.093 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)CC1 ZINC000894543561 583481493 /nfs/dbraw/zinc/48/14/93/583481493.db2.gz AHLXZFMSSWDVGP-AWEZNQCLSA-N 2 1 236.403 2.449 20 0 BEADMP C[NH+]1CCC(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)CC1 ZINC000894735104 583514315 /nfs/dbraw/zinc/51/43/15/583514315.db2.gz GJHKNPOCVHWLLA-JKSUJKDBSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](C3CCC3)C2)CC1 ZINC000894948834 583559288 /nfs/dbraw/zinc/55/92/88/583559288.db2.gz NVBKVHCUQIQPRP-OAHLLOKOSA-N 2 1 236.403 2.450 20 0 BEADMP C[N@@H+](C[C@@H]1CC1(C)C)CC1CC[NH+](C)CC1 ZINC000895480450 583680204 /nfs/dbraw/zinc/68/02/04/583680204.db2.gz GZAQXPLISOORFD-ZDUSSCGKSA-N 2 1 224.392 2.306 20 0 BEADMP C[NH+]1CCC(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)CC1 ZINC000895830471 583735501 /nfs/dbraw/zinc/73/55/01/583735501.db2.gz ZZQQOROKYAHCCN-GASCZTMLSA-N 2 1 234.387 2.226 20 0 BEADMP CCO[C@H](C[NH2+][C@@H]1CC=C(C)CC1)C[NH+](C)C ZINC000896879973 583844854 /nfs/dbraw/zinc/84/48/54/583844854.db2.gz JUQXUIZOIXBFHT-ZIAGYGMSSA-N 2 1 240.391 2.042 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cccnc2)CC1(C)C ZINC000858093436 588932397 /nfs/dbraw/zinc/93/23/97/588932397.db2.gz BFOIQCOEVJOOMU-CQSZACIVSA-N 2 1 247.386 2.087 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C2CC2)CC[N@H+]1C ZINC000897437953 583983669 /nfs/dbraw/zinc/98/36/69/583983669.db2.gz QEFXKVLKTQNATL-YPMHNXCESA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccoc2)C1 ZINC000729682787 584022767 /nfs/dbraw/zinc/02/27/67/584022767.db2.gz LGTPXXBLSQAMQM-ZDUSSCGKSA-N 2 1 236.359 2.490 20 0 BEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccoc2)C1 ZINC000729682787 584022770 /nfs/dbraw/zinc/02/27/70/584022770.db2.gz LGTPXXBLSQAMQM-ZDUSSCGKSA-N 2 1 236.359 2.490 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)[C@H](C)C1 ZINC000897955915 584065902 /nfs/dbraw/zinc/06/59/02/584065902.db2.gz YZUXVYCFHVOUNC-QKGCVVFFSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CCC[C@H]23)CC[N@@H+]1C ZINC000897959704 584067568 /nfs/dbraw/zinc/06/75/68/584067568.db2.gz WLRJIFWLOJFNOM-XHJNMGKDSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CCC[C@H]23)CC[N@H+]1C ZINC000897959704 584067570 /nfs/dbraw/zinc/06/75/70/584067570.db2.gz WLRJIFWLOJFNOM-XHJNMGKDSA-N 2 1 222.376 2.247 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@@H+](C)C[C@@H]1CCSC1 ZINC000898307631 584109843 /nfs/dbraw/zinc/10/98/43/584109843.db2.gz DWMDOYPYMDYSKQ-LBPRGKRZSA-N 2 1 244.448 2.259 20 0 BEADMP Cc1[nH+]ccn1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000899629988 584221840 /nfs/dbraw/zinc/22/18/40/584221840.db2.gz OXSREBYJXLLTCX-YHWZYXNKSA-N 2 1 219.332 2.112 20 0 BEADMP CCc1cc(NCc2cncn2CC)nc(C)[nH+]1 ZINC000902228274 584541715 /nfs/dbraw/zinc/54/17/15/584541715.db2.gz GSSZBVIWHCZAAS-UHFFFAOYSA-N 2 1 245.330 2.176 20 0 BEADMP C[C@@H](Cc1coc2ccccc12)[NH2+]CC1([NH3+])CC1 ZINC000902409711 584575247 /nfs/dbraw/zinc/57/52/47/584575247.db2.gz MQRCGQMPCYYEKZ-NSHDSACASA-N 2 1 244.338 2.445 20 0 BEADMP Cc1ccc(C)c([C@@H](C)[NH2+]CC2([NH3+])CC2)c1 ZINC000902415457 584589640 /nfs/dbraw/zinc/58/96/40/584589640.db2.gz OMNKKIYHQWICKY-GFCCVEGCSA-N 2 1 218.344 2.445 20 0 BEADMP CC(C)C1CCC([NH2+]CC2([NH3+])CC2)CC1 ZINC000902415320 584589673 /nfs/dbraw/zinc/58/96/73/584589673.db2.gz DNBNPHCJQXSFJO-UHFFFAOYSA-N 2 1 210.365 2.282 20 0 BEADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]CC1([NH3+])CC1 ZINC000902415546 584589766 /nfs/dbraw/zinc/58/97/66/584589766.db2.gz IFSVNFKLUHYWRN-NSHDSACASA-N 2 1 236.334 2.228 20 0 BEADMP COc1ccc2c(c1)[C@@H]([NH2+]CC1([NH3+])CC1)CCC2 ZINC000902415718 584589977 /nfs/dbraw/zinc/58/99/77/584589977.db2.gz PQVDFHXSFZBWPA-AWEZNQCLSA-N 2 1 246.354 2.154 20 0 BEADMP CCc1ccc([C@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902416120 584590674 /nfs/dbraw/zinc/59/06/74/584590674.db2.gz SDUGLZIURSCQPS-NSHDSACASA-N 2 1 218.344 2.391 20 0 BEADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC1([NH3+])CC1 ZINC000902416938 584591361 /nfs/dbraw/zinc/59/13/61/584591361.db2.gz PUTFOWBXJIUNDC-AWEZNQCLSA-N 2 1 232.371 2.397 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)C1CC1 ZINC000902432261 584595586 /nfs/dbraw/zinc/59/55/86/584595586.db2.gz PFMXRCLYDVDATA-CMPLNLGQSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)C1CC1 ZINC000902432199 584595648 /nfs/dbraw/zinc/59/56/48/584595648.db2.gz OGXITIPAILNLEG-ZYHUDNBSSA-N 2 1 210.365 2.010 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902443043 584598341 /nfs/dbraw/zinc/59/83/41/584598341.db2.gz CDFJOUOJBQQXHB-ZZIFITQXSA-N 2 1 240.416 2.001 20 0 BEADMP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000902444429 584599062 /nfs/dbraw/zinc/59/90/62/584599062.db2.gz NLDMGOPEFXZCDB-RYUDHWBXSA-N 2 1 222.376 2.297 20 0 BEADMP [NH3+]C1(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000902413415 584599390 /nfs/dbraw/zinc/59/93/90/584599390.db2.gz LIUSUDMREHQLCJ-ZDUSSCGKSA-N 2 1 234.318 2.358 20 0 BEADMP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000902413838 584599831 /nfs/dbraw/zinc/59/98/31/584599831.db2.gz ORDBVXTUJOEQID-HUUCEWRRSA-N 2 1 244.382 2.479 20 0 BEADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CC1 ZINC000902414729 584600714 /nfs/dbraw/zinc/60/07/14/584600714.db2.gz ZWOITHJQOWGZHB-NEPJUHHUSA-N 2 1 210.365 2.426 20 0 BEADMP C[C@@H](CCc1ccccc1)[NH2+]CC1([NH3+])CC1 ZINC000902414984 584600763 /nfs/dbraw/zinc/60/07/63/584600763.db2.gz IRBNOCMSKNMLDL-LBPRGKRZSA-N 2 1 218.344 2.089 20 0 BEADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902472820 584600875 /nfs/dbraw/zinc/60/08/75/584600875.db2.gz HZGHXAONNDTSGR-OADPDTJPSA-N 2 1 248.345 2.239 20 0 BEADMP Cc1ccccc1[C@@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902415068 584601191 /nfs/dbraw/zinc/60/11/91/584601191.db2.gz KJJIDPZRJIRGLO-LLVKDONJSA-N 2 1 204.317 2.137 20 0 BEADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902472477 584601460 /nfs/dbraw/zinc/60/14/60/584601460.db2.gz AORHWIFDRGYLID-LVQVYYBASA-N 2 1 244.382 2.490 20 0 BEADMP CC[C@H]([NH2+]CC1([NH3+])CC1)c1ccc2c(c1)CCO2 ZINC000902415170 584601533 /nfs/dbraw/zinc/60/15/33/584601533.db2.gz CDQGLTZUNHIKNA-ZDUSSCGKSA-N 2 1 246.354 2.154 20 0 BEADMP C[C@@H](CCc1ccco1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902465250 584613135 /nfs/dbraw/zinc/61/31/35/584613135.db2.gz DOLCYTSXFBFOEZ-CDGCEXEKSA-N 2 1 234.343 2.083 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1 ZINC000902727860 584662040 /nfs/dbraw/zinc/66/20/40/584662040.db2.gz FDVNUHKPSWZPAG-DABQJJPHSA-N 2 1 222.376 2.249 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902957539 584705851 /nfs/dbraw/zinc/70/58/51/584705851.db2.gz KEYOSOWOZRBNFU-VXGBXAGGSA-N 2 1 233.359 2.131 20 0 BEADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000903252498 584739110 /nfs/dbraw/zinc/73/91/10/584739110.db2.gz DITRWFOBDWPRHK-ULXLPNHUSA-N 2 1 234.387 2.247 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000903319497 584746118 /nfs/dbraw/zinc/74/61/18/584746118.db2.gz VAKYJBIYYMWXEY-CYJZHVFYSA-N 2 1 234.387 2.105 20 0 BEADMP CCCCC1([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000903309707 584748155 /nfs/dbraw/zinc/74/81/55/584748155.db2.gz HBALWSNABFTCBQ-UHFFFAOYSA-N 2 1 210.365 2.393 20 0 BEADMP C[C@H](C1CC1)[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000903430785 584761433 /nfs/dbraw/zinc/76/14/33/584761433.db2.gz AXOMPJOMGIZJDB-WZRBSPASSA-N 2 1 222.376 2.105 20 0 BEADMP CC1(C)C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C(C)(C)CO1 ZINC000903439956 584763274 /nfs/dbraw/zinc/76/32/74/584763274.db2.gz RKJVMGFCPSQBPD-NEPJUHHUSA-N 2 1 240.391 2.003 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903421307 584763645 /nfs/dbraw/zinc/76/36/45/584763645.db2.gz LCKBGZWSUJXKSI-ZDUSSCGKSA-N 2 1 243.354 2.339 20 0 BEADMP Cc1ccc2c(c1)C[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)CC2 ZINC000903464053 584767491 /nfs/dbraw/zinc/76/74/91/584767491.db2.gz XVYRWZVYRYLUTE-CJNGLKHVSA-N 2 1 244.382 2.209 20 0 BEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903451569 584772157 /nfs/dbraw/zinc/77/21/57/584772157.db2.gz BJQYPTASIXUFSY-HNNXBMFYSA-N 2 1 243.354 2.339 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000903455083 584773382 /nfs/dbraw/zinc/77/33/82/584773382.db2.gz PMJVHNLNYHBLGD-RISCZKNCSA-N 2 1 248.345 2.039 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCc2cc(F)ccc2C1 ZINC000903455083 584773383 /nfs/dbraw/zinc/77/33/83/584773383.db2.gz PMJVHNLNYHBLGD-RISCZKNCSA-N 2 1 248.345 2.039 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCc3cc(F)ccc3C2)C1 ZINC000903454665 584773459 /nfs/dbraw/zinc/77/34/59/584773459.db2.gz HROZCRPRQVQGLI-XHDPSFHLSA-N 2 1 248.345 2.311 20 0 BEADMP c1cc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)cs1 ZINC000903470875 584775419 /nfs/dbraw/zinc/77/54/19/584775419.db2.gz OSSGCOVLNGPDDQ-GFCCVEGCSA-N 2 1 236.384 2.165 20 0 BEADMP CC(C)C[N@H+](Cc1ccccn1)C[C@@H]1CC[NH2+]C1 ZINC000903575201 584783715 /nfs/dbraw/zinc/78/37/15/584783715.db2.gz HOMJRHJJJJOSDB-CQSZACIVSA-N 2 1 247.386 2.149 20 0 BEADMP CC1CC(C[N@H+]2CCC[C@H](CC[NH3+])C2)C1 ZINC000903748032 584795064 /nfs/dbraw/zinc/79/50/64/584795064.db2.gz YCEFAPYQNSUMIJ-OTTFEQOBSA-N 2 1 210.365 2.093 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2ccccc2CF)CCC1 ZINC000903743074 584796627 /nfs/dbraw/zinc/79/66/27/584796627.db2.gz HVFIMSQXSBCLFK-UHFFFAOYSA-N 2 1 222.307 2.127 20 0 BEADMP CC1CC(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC000903765414 584797296 /nfs/dbraw/zinc/79/72/96/584797296.db2.gz ZPHJQDNXPGSGKI-HOAMVYINSA-N 2 1 222.376 2.093 20 0 BEADMP NC[C@]12CC[C@H]1CCC[N@@H+]2Cc1ccccc1 ZINC000903794768 584799050 /nfs/dbraw/zinc/79/90/50/584799050.db2.gz DMNDTKGLUUIWSU-HUUCEWRRSA-N 2 1 230.355 2.390 20 0 BEADMP NC[C@]12CC[C@H]1CCC[N@H+]2Cc1ccccc1 ZINC000903794768 584799051 /nfs/dbraw/zinc/79/90/51/584799051.db2.gz DMNDTKGLUUIWSU-HUUCEWRRSA-N 2 1 230.355 2.390 20 0 BEADMP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2Cc1ccccc1 ZINC000903794768 584799052 /nfs/dbraw/zinc/79/90/52/584799052.db2.gz DMNDTKGLUUIWSU-HUUCEWRRSA-N 2 1 230.355 2.390 20 0 BEADMP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2Cc1ccccc1 ZINC000903794768 584799053 /nfs/dbraw/zinc/79/90/53/584799053.db2.gz DMNDTKGLUUIWSU-HUUCEWRRSA-N 2 1 230.355 2.390 20 0 BEADMP CC1CC(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000903780124 584799773 /nfs/dbraw/zinc/79/97/73/584799773.db2.gz DJEQCZULVTYTJG-PQAZSJQKSA-N 2 1 222.376 2.106 20 0 BEADMP CC1CC(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000903780124 584799774 /nfs/dbraw/zinc/79/97/74/584799774.db2.gz DJEQCZULVTYTJG-PQAZSJQKSA-N 2 1 222.376 2.106 20 0 BEADMP CCC[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903811889 584803209 /nfs/dbraw/zinc/80/32/09/584803209.db2.gz POVGHXXFYYYSSV-LBPRGKRZSA-N 2 1 210.365 2.380 20 0 BEADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CC2CC2)CCC1 ZINC000903812153 584803616 /nfs/dbraw/zinc/80/36/16/584803616.db2.gz QZFNWYWXSYPEPP-CYBMUJFWSA-N 2 1 222.376 2.380 20 0 BEADMP Cc1ccccc1C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903859089 584810625 /nfs/dbraw/zinc/81/06/25/584810625.db2.gz ZUKDXSMFRUADLG-GJZGRUSLSA-N 2 1 230.355 2.308 20 0 BEADMP Cc1ccccc1C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903859089 584810627 /nfs/dbraw/zinc/81/06/27/584810627.db2.gz ZUKDXSMFRUADLG-GJZGRUSLSA-N 2 1 230.355 2.308 20 0 BEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCc1cccs1 ZINC000903858799 584810717 /nfs/dbraw/zinc/81/07/17/584810717.db2.gz ZOTZZRRKSZGAOF-DGCLKSJQSA-N 2 1 236.384 2.104 20 0 BEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCc1cccs1 ZINC000903858799 584810718 /nfs/dbraw/zinc/81/07/18/584810718.db2.gz ZOTZZRRKSZGAOF-DGCLKSJQSA-N 2 1 236.384 2.104 20 0 BEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCCc1ccccc1 ZINC000903858697 584810813 /nfs/dbraw/zinc/81/08/13/584810813.db2.gz YEHWTIPMXIFRJD-HOTGVXAUSA-N 2 1 244.382 2.432 20 0 BEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCCc1ccccc1 ZINC000903858697 584810815 /nfs/dbraw/zinc/81/08/15/584810815.db2.gz YEHWTIPMXIFRJD-HOTGVXAUSA-N 2 1 244.382 2.432 20 0 BEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@H]1CCC(F)(F)C1 ZINC000903861804 584812378 /nfs/dbraw/zinc/81/23/78/584812378.db2.gz YFTSYNGDPOIKIS-QJPTWQEYSA-N 2 1 244.329 2.235 20 0 BEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@H]1CCC(F)(F)C1 ZINC000903861804 584812379 /nfs/dbraw/zinc/81/23/79/584812379.db2.gz YFTSYNGDPOIKIS-QJPTWQEYSA-N 2 1 244.329 2.235 20 0 BEADMP C(CC1CC1)C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903870627 584814545 /nfs/dbraw/zinc/81/45/45/584814545.db2.gz OSKFXDXYYYCSDG-CYBMUJFWSA-N 2 1 208.349 2.005 20 0 BEADMP C(CC1CC1)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903870627 584814547 /nfs/dbraw/zinc/81/45/47/584814547.db2.gz OSKFXDXYYYCSDG-CYBMUJFWSA-N 2 1 208.349 2.005 20 0 BEADMP CCC(CC)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869227 584814869 /nfs/dbraw/zinc/81/48/69/584814869.db2.gz DVWVUTKSMRGUFU-ZDUSSCGKSA-N 2 1 210.365 2.251 20 0 BEADMP FC1(F)CC[C@@H](C[N@@H+]2CCC[C@@]23CC[NH2+]C3)C1 ZINC000903872226 584815193 /nfs/dbraw/zinc/81/51/93/584815193.db2.gz XIIFHAMOOVGJLK-NEPJUHHUSA-N 2 1 244.329 2.250 20 0 BEADMP FC1(F)CC[C@@H](C[N@H+]2CCC[C@@]23CC[NH2+]C3)C1 ZINC000903872226 584815194 /nfs/dbraw/zinc/81/51/94/584815194.db2.gz XIIFHAMOOVGJLK-NEPJUHHUSA-N 2 1 244.329 2.250 20 0 BEADMP C[C@@H]([NH2+]C[C@H]([NH3+])CC(F)F)c1ccccc1 ZINC000903922786 584823587 /nfs/dbraw/zinc/82/35/87/584823587.db2.gz DXLGYXJBLYNIAI-MWLCHTKSSA-N 2 1 228.286 2.320 20 0 BEADMP Cc1cccc(CC[NH2+]C[C@@H]([NH3+])CC(F)F)c1 ZINC000903926001 584823987 /nfs/dbraw/zinc/82/39/87/584823987.db2.gz QTCBNKMOMADCOW-LBPRGKRZSA-N 2 1 242.313 2.110 20 0 BEADMP [NH3+][C@H](C[NH2+][C@@H]1CCc2ccccc21)CC(F)F ZINC000903933303 584824850 /nfs/dbraw/zinc/82/48/50/584824850.db2.gz OJSUZEFWWAIVRC-CMPLNLGQSA-N 2 1 240.297 2.246 20 0 BEADMP [NH3+][C@@H](C[NH2+][C@@H]1CCc2ccccc21)CC(F)F ZINC000903933304 584825145 /nfs/dbraw/zinc/82/51/45/584825145.db2.gz OJSUZEFWWAIVRC-ZYHUDNBSSA-N 2 1 240.297 2.246 20 0 BEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCC(C)(C)[NH3+] ZINC000903939438 584825960 /nfs/dbraw/zinc/82/59/60/584825960.db2.gz HKQSTWLKVZNXHO-OLZOCXBDSA-N 3 1 241.423 2.014 20 0 BEADMP Cc1ccc(F)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903965174 584834508 /nfs/dbraw/zinc/83/45/08/584834508.db2.gz YZOGIFCBHYJTRF-YPMHNXCESA-N 2 1 236.334 2.079 20 0 BEADMP CC(C)C[C@H]([NH3+])C[NH2+]C(C)(C)/C=C\Cl ZINC000903987409 584835904 /nfs/dbraw/zinc/83/59/04/584835904.db2.gz GBHTVTLBOOAZRT-OMMCCPJFSA-N 2 1 218.772 2.481 20 0 BEADMP CC(C)[C@H](C)[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904301264 584861367 /nfs/dbraw/zinc/86/13/67/584861367.db2.gz CLIAEIGYUNQZMN-SDDRHHMPSA-N 2 1 210.365 2.233 20 0 BEADMP C[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)CC1CC1 ZINC000904312155 584863050 /nfs/dbraw/zinc/86/30/50/584863050.db2.gz NACCSPIVKPZPJG-LBPRGKRZSA-N 2 1 212.381 2.482 20 0 BEADMP CC(C)[N@H+](Cc1ccccn1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313748 584863549 /nfs/dbraw/zinc/86/35/49/584863549.db2.gz ZIOSEUFMVNYTCO-BETUJISGSA-N 2 1 233.359 2.029 20 0 BEADMP CC(C)(C)[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904317482 584863889 /nfs/dbraw/zinc/86/38/89/584863889.db2.gz ZEKOXOARYRTTMR-TUAOUCFPSA-N 2 1 210.365 2.234 20 0 BEADMP C[C@@H]1CCC[C@@H](C)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904321655 584864013 /nfs/dbraw/zinc/86/40/13/584864013.db2.gz BAGFPDPJSWEANE-LPWJVIDDSA-N 2 1 210.365 2.234 20 0 BEADMP C[C@@H]1Cc2ccccc2C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904323755 584864470 /nfs/dbraw/zinc/86/44/70/584864470.db2.gz RXPLEBMVAOTOHE-JMSVASOKSA-N 2 1 230.355 2.171 20 0 BEADMP C[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C[C@H]1CCOC1 ZINC000904326953 584865615 /nfs/dbraw/zinc/86/56/15/584865615.db2.gz UOTZOKFAWBKNDD-OLZOCXBDSA-N 2 1 242.407 2.108 20 0 BEADMP Cc1ccncc1C[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904341300 584867539 /nfs/dbraw/zinc/86/75/39/584867539.db2.gz MYAQRWLQYRVNMM-OAHLLOKOSA-N 2 1 247.386 2.212 20 0 BEADMP Cc1ccncc1C[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904341300 584867540 /nfs/dbraw/zinc/86/75/40/584867540.db2.gz MYAQRWLQYRVNMM-OAHLLOKOSA-N 2 1 247.386 2.212 20 0 BEADMP C[N@@H+](C[C@@H]1CC1(C)C)C[C@]1(C)CCC[NH2+]C1 ZINC000904378495 584875861 /nfs/dbraw/zinc/87/58/61/584875861.db2.gz DVBXQPRSLZWICC-GXTWGEPZSA-N 2 1 224.392 2.354 20 0 BEADMP COc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)ccc1C ZINC000904405796 584878446 /nfs/dbraw/zinc/87/84/46/584878446.db2.gz PTGLIRBYROJIRX-CYBMUJFWSA-N 2 1 248.370 2.174 20 0 BEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000904406270 584878696 /nfs/dbraw/zinc/87/86/96/584878696.db2.gz DKLIQDPFLWVDGP-ZDUSSCGKSA-N 2 1 244.382 2.346 20 0 BEADMP Cc1ccsc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904411812 584879490 /nfs/dbraw/zinc/87/94/90/584879490.db2.gz NPSQALISNHPADP-NEPJUHHUSA-N 2 1 238.400 2.473 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2cccs2)CC[C@H]1C[NH3+] ZINC000904412842 584879736 /nfs/dbraw/zinc/87/97/36/584879736.db2.gz XTGVCKCWFCJMGY-MNOVXSKESA-N 2 1 224.373 2.165 20 0 BEADMP Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904421210 584881900 /nfs/dbraw/zinc/88/19/00/584881900.db2.gz SUJKFSDXRFFONJ-GXTWGEPZSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1ccc(F)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904421210 584881901 /nfs/dbraw/zinc/88/19/01/584881901.db2.gz SUJKFSDXRFFONJ-GXTWGEPZSA-N 2 1 248.345 2.175 20 0 BEADMP COc1c(C)cc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1C ZINC000841082173 584883149 /nfs/dbraw/zinc/88/31/49/584883149.db2.gz WPRVCXHSYXAKPM-NWDGAFQWSA-N 2 1 236.359 2.137 20 0 BEADMP COC1(C[NH2+]C2CC[NH+](C)CC2)CCCCC1 ZINC000186517761 584912159 /nfs/dbraw/zinc/91/21/59/584912159.db2.gz RIQCZCDDJJUFKB-UHFFFAOYSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc[nH]1 ZINC000838984289 585084221 /nfs/dbraw/zinc/08/42/21/585084221.db2.gz NUUQVBYNGOBTMP-LLVKDONJSA-N 2 1 233.359 2.292 20 0 BEADMP CSCCC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000743848737 585140810 /nfs/dbraw/zinc/14/08/10/585140810.db2.gz CDAAXBLAWYVEFD-UHFFFAOYSA-N 2 1 230.421 2.013 20 0 BEADMP C[NH+](C)CC1(C[NH2+]Cc2ccoc2)CCCC1 ZINC000759187142 585364935 /nfs/dbraw/zinc/36/49/35/585364935.db2.gz NBSATPBMGNXDQK-UHFFFAOYSA-N 2 1 236.359 2.491 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCNc2ccccc2)CC[N@H+]1C ZINC000766514473 585503756 /nfs/dbraw/zinc/50/37/56/585503756.db2.gz GSTYXIIECQKTHW-UKRRQHHQSA-N 2 1 247.386 2.171 20 0 BEADMP CC(C)[C@H]([NH2+]CCC[NH+](C)C)c1ccccn1 ZINC000775446826 585678011 /nfs/dbraw/zinc/67/80/11/585678011.db2.gz SJPLTWDMNYEUBA-AWEZNQCLSA-N 2 1 235.375 2.320 20 0 BEADMP CC[NH+](CC)[C@H](C[NH2+][C@H](C)CCO)CC(C)C ZINC000779344361 585752093 /nfs/dbraw/zinc/75/20/93/585752093.db2.gz XTOTUDAMITVFGS-KGLIPLIRSA-N 2 1 244.423 2.103 20 0 BEADMP C[C@H](C1CC1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000782192941 585811412 /nfs/dbraw/zinc/81/14/12/585811412.db2.gz XDIGJUWYUZZWBJ-KWCYVHTRSA-N 2 1 222.376 2.201 20 0 BEADMP C[C@H](C1CC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000782192941 585811413 /nfs/dbraw/zinc/81/14/13/585811413.db2.gz XDIGJUWYUZZWBJ-KWCYVHTRSA-N 2 1 222.376 2.201 20 0 BEADMP C[C@H](C1CC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000782192941 585811414 /nfs/dbraw/zinc/81/14/14/585811414.db2.gz XDIGJUWYUZZWBJ-KWCYVHTRSA-N 2 1 222.376 2.201 20 0 BEADMP C[C@H](C1CC1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000782192942 585811683 /nfs/dbraw/zinc/81/16/83/585811683.db2.gz XDIGJUWYUZZWBJ-MRVWCRGKSA-N 2 1 222.376 2.201 20 0 BEADMP C[C@H](C1CC1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000782192942 585811684 /nfs/dbraw/zinc/81/16/84/585811684.db2.gz XDIGJUWYUZZWBJ-MRVWCRGKSA-N 2 1 222.376 2.201 20 0 BEADMP C[C@H](C1CC1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000782192942 585811685 /nfs/dbraw/zinc/81/16/85/585811685.db2.gz XDIGJUWYUZZWBJ-MRVWCRGKSA-N 2 1 222.376 2.201 20 0 BEADMP Cl/C=C\C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000787664347 585913865 /nfs/dbraw/zinc/91/38/65/585913865.db2.gz NFZNMYVMFDLQPN-KYXXQBJFSA-N 2 1 238.718 2.287 20 0 BEADMP Cl/C=C\C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000787664347 585913866 /nfs/dbraw/zinc/91/38/66/585913866.db2.gz NFZNMYVMFDLQPN-KYXXQBJFSA-N 2 1 238.718 2.287 20 0 BEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(F)(F)CC1 ZINC000796542551 586106691 /nfs/dbraw/zinc/10/66/91/586106691.db2.gz XVZUNGWDAUNTFH-NSHDSACASA-N 2 1 232.318 2.202 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(F)(F)CC1 ZINC000796542551 586106692 /nfs/dbraw/zinc/10/66/92/586106692.db2.gz XVZUNGWDAUNTFH-NSHDSACASA-N 2 1 232.318 2.202 20 0 BEADMP C[NH+](C)Cc1ccc(C[N@H+](C)CCF)cc1 ZINC000816640531 586748062 /nfs/dbraw/zinc/74/80/62/586748062.db2.gz MODHVSVZFVHQSH-UHFFFAOYSA-N 2 1 224.323 2.150 20 0 BEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCF)cc1 ZINC000816640531 586748063 /nfs/dbraw/zinc/74/80/63/586748063.db2.gz MODHVSVZFVHQSH-UHFFFAOYSA-N 2 1 224.323 2.150 20 0 BEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(F)cnc1Cl ZINC000817933374 586841504 /nfs/dbraw/zinc/84/15/04/586841504.db2.gz BYNNXETTWLBXTK-JGVFFNPUSA-N 2 1 245.729 2.090 20 0 BEADMP CCOc1cccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000817965470 586853894 /nfs/dbraw/zinc/85/38/94/586853894.db2.gz QZLWXVHDBSOOSD-XHDPSFHLSA-N 2 1 248.370 2.473 20 0 BEADMP COc1cc(C)c([C@@H](C)[NH2+][C@H](C)C[NH3+])cc1C ZINC000817966253 586855120 /nfs/dbraw/zinc/85/51/20/586855120.db2.gz JSYOZTFHSUTDIL-VXGBXAGGSA-N 2 1 236.359 2.310 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000817969941 586856484 /nfs/dbraw/zinc/85/64/84/586856484.db2.gz IKNBHNRUNIMTEZ-UMSGYPCISA-N 2 1 210.365 2.282 20 0 BEADMP CC[NH2+][C@H](C)C[NH2+][C@@H](C)CSC(C)(C)C ZINC000817972902 586859206 /nfs/dbraw/zinc/85/92/06/586859206.db2.gz PIPRWBVNSFBXET-MNOVXSKESA-N 2 1 232.437 2.494 20 0 BEADMP CC[C@H]([NH2+]C[C@H](C)[NH3+])c1ccc2c(c1)CCO2 ZINC000817971678 586859293 /nfs/dbraw/zinc/85/92/93/586859293.db2.gz OXUCHWOQCHALGT-GWCFXTLKSA-N 2 1 234.343 2.009 20 0 BEADMP CCOc1cccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])c1 ZINC000817972166 586859779 /nfs/dbraw/zinc/85/97/79/586859779.db2.gz UQKZXDFZBOSAMF-WDEREUQCSA-N 2 1 222.332 2.083 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000817979156 586861330 /nfs/dbraw/zinc/86/13/30/586861330.db2.gz IGVPBYZZNVKORJ-ZWNOBZJWSA-N 2 1 234.343 2.009 20 0 BEADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000818341261 586887361 /nfs/dbraw/zinc/88/73/61/586887361.db2.gz YEWULXQBSGTJOK-HUUCEWRRSA-N 2 1 246.354 2.076 20 0 BEADMP Cc1cc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)no1 ZINC000823578918 587232077 /nfs/dbraw/zinc/23/20/77/587232077.db2.gz KHWQFGVFCKDOHO-CQSZACIVSA-N 2 1 249.358 2.120 20 0 BEADMP [NH3+]C[C@H]([NH2+]C1CCCCCCC1)C1CC1 ZINC000841029201 587934901 /nfs/dbraw/zinc/93/49/01/587934901.db2.gz VVROBHHPQKSCPO-ZDUSSCGKSA-N 2 1 210.365 2.426 20 0 BEADMP CC(C)([NH3+])C[NH2+]Cc1cncc2ccccc21 ZINC000841030318 587935869 /nfs/dbraw/zinc/93/58/69/587935869.db2.gz DYWVGPPTCYPIKU-UHFFFAOYSA-N 2 1 229.327 2.062 20 0 BEADMP CCC(N)=[NH+]OCC[N@H+](C)Cc1ccccc1 ZINC000842024318 587990021 /nfs/dbraw/zinc/99/00/21/587990021.db2.gz OQDIFGIBPYPVBK-UHFFFAOYSA-N 2 1 235.331 2.027 20 0 BEADMP CCC(N)=[NH+]OCC[N@@H+](C)Cc1ccccc1 ZINC000842024318 587990022 /nfs/dbraw/zinc/99/00/22/587990022.db2.gz OQDIFGIBPYPVBK-UHFFFAOYSA-N 2 1 235.331 2.027 20 0 BEADMP COc1cccc2cc(C[N@@H+](C)CCC[NH3+])oc21 ZINC000843050435 588076567 /nfs/dbraw/zinc/07/65/67/588076567.db2.gz HRMDKNDTYRRAPL-UHFFFAOYSA-N 2 1 248.326 2.222 20 0 BEADMP Cc1cccc2c1CC[N@@H+](C[C@@]1(C)CC[NH2+]C1)C2 ZINC000843063895 588078686 /nfs/dbraw/zinc/07/86/86/588078686.db2.gz SWSBNAFLWCZITD-INIZCTEOSA-N 2 1 244.382 2.353 20 0 BEADMP C[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]2)CC12CCC2 ZINC000843119135 588082585 /nfs/dbraw/zinc/08/25/85/588082585.db2.gz FOZAABCTHLBSMJ-STQMWFEESA-N 2 1 222.376 2.251 20 0 BEADMP C[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]2)CC12CCC2 ZINC000843119135 588082586 /nfs/dbraw/zinc/08/25/86/588082586.db2.gz FOZAABCTHLBSMJ-STQMWFEESA-N 2 1 222.376 2.251 20 0 BEADMP C[NH2+]CCC[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000843355993 588103240 /nfs/dbraw/zinc/10/32/40/588103240.db2.gz ADQJVLGGCKJIRK-GFCCVEGCSA-N 2 1 218.344 2.215 20 0 BEADMP CC(C)C[C@@H]1COCC[N@H+]1CCCCCC[NH3+] ZINC000846217914 588260660 /nfs/dbraw/zinc/26/06/60/588260660.db2.gz INGZJAPYLGKNPK-CQSZACIVSA-N 2 1 242.407 2.252 20 0 BEADMP CC(C)CO[C@@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846219694 588260741 /nfs/dbraw/zinc/26/07/41/588260741.db2.gz VYNFCHYXHWSPCQ-CQSZACIVSA-N 2 1 242.407 2.252 20 0 BEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C/C=C\Cl ZINC000846219471 588260845 /nfs/dbraw/zinc/26/08/45/588260845.db2.gz BJVBAZDIWULMIU-CHCHCGSXSA-N 2 1 214.740 2.083 20 0 BEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C/C=C\Cl ZINC000846219471 588260846 /nfs/dbraw/zinc/26/08/46/588260846.db2.gz BJVBAZDIWULMIU-CHCHCGSXSA-N 2 1 214.740 2.083 20 0 BEADMP Cl/C=C\C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000846221250 588261331 /nfs/dbraw/zinc/26/13/31/588261331.db2.gz VICACEDIOOXPKE-COGOEBJDSA-N 2 1 228.767 2.060 20 0 BEADMP CC(C)c1ccccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000848890624 588417837 /nfs/dbraw/zinc/41/78/37/588417837.db2.gz SUIIIZOLLCUMIT-GASCZTMLSA-N 2 1 244.382 2.461 20 0 BEADMP C[NH+](C)[C@@H](C[NH2+]C1CC(CF)(CF)C1)C1CC1 ZINC000850425757 588545307 /nfs/dbraw/zinc/54/53/07/588545307.db2.gz PKMIALMVPGCPHE-LBPRGKRZSA-N 2 1 246.345 2.004 20 0 BEADMP CC[C@@H](CC(F)F)C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852751151 588700049 /nfs/dbraw/zinc/70/00/49/588700049.db2.gz QZBHNRBJNHUDOG-AAEUAGOBSA-N 2 1 246.345 2.496 20 0 BEADMP CC[C@@H](CC(F)F)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852751151 588700050 /nfs/dbraw/zinc/70/00/50/588700050.db2.gz QZBHNRBJNHUDOG-AAEUAGOBSA-N 2 1 246.345 2.496 20 0 BEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC000852754903 588700725 /nfs/dbraw/zinc/70/07/25/588700725.db2.gz PRKOXUUFRPCFOA-KBPBESRZSA-N 2 1 240.391 2.149 20 0 BEADMP CCO[C@@H](C[N@@H+](C)C1CCC([NH3+])CC1)C1CC1 ZINC000863541623 589297137 /nfs/dbraw/zinc/29/71/37/589297137.db2.gz KMXNHOBLSGPYJW-RUXDESIVSA-N 2 1 240.391 2.003 20 0 BEADMP Fc1ccccc1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000863643790 589306725 /nfs/dbraw/zinc/30/67/25/589306725.db2.gz WQXKLMVYUVHWRG-AWEZNQCLSA-N 2 1 248.345 2.242 20 0 BEADMP C[C@H]([NH3+])C[N@H+](C)Cc1cccc2cnccc21 ZINC000863652842 589307713 /nfs/dbraw/zinc/30/77/13/589307713.db2.gz XHYZDSYFFHPISX-NSHDSACASA-N 2 1 229.327 2.014 20 0 BEADMP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc2cnccc21 ZINC000863652842 589307714 /nfs/dbraw/zinc/30/77/14/589307714.db2.gz XHYZDSYFFHPISX-NSHDSACASA-N 2 1 229.327 2.014 20 0 BEADMP CCC[N@@H+](CC)CCNC(=[NH2+])NC(CC)CC ZINC000864456688 589367558 /nfs/dbraw/zinc/36/75/58/589367558.db2.gz JSQHSGIPJCLDOX-UHFFFAOYSA-N 2 1 242.411 2.021 20 0 BEADMP C[C@H](CCc1cccnc1)[NH2+]C1CC[NH+](C)CC1 ZINC000866218548 589481401 /nfs/dbraw/zinc/48/14/01/589481401.db2.gz RIVCGWIPRILXAH-CYBMUJFWSA-N 2 1 247.386 2.087 20 0 BEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCCC1CC1 ZINC000866665628 589509636 /nfs/dbraw/zinc/50/96/36/589509636.db2.gz FVEUYONXFUYWKM-MDZLAQPJSA-N 2 1 210.365 2.153 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000866696920 589512575 /nfs/dbraw/zinc/51/25/75/589512575.db2.gz CFPKQARUHMTRQU-AWEZNQCLSA-N 2 1 240.391 2.020 20 0 BEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC2CC2)C1 ZINC000866709335 589514155 /nfs/dbraw/zinc/51/41/55/589514155.db2.gz WLLPYBLUEKSGOM-CYBMUJFWSA-N 2 1 210.365 2.093 20 0 BEADMP CC[C@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708238 589514818 /nfs/dbraw/zinc/51/48/18/589514818.db2.gz QGQNRHSHGFKIAT-AAEUAGOBSA-N 2 1 212.381 2.482 20 0 BEADMP CC[C@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866708243 589514864 /nfs/dbraw/zinc/51/48/64/589514864.db2.gz QGQNRHSHGFKIAT-WCQYABFASA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])CCS1 ZINC000123509124 589740442 /nfs/dbraw/zinc/74/04/42/589740442.db2.gz CQSQAISTYJCPID-GFCCVEGCSA-N 2 1 230.421 2.333 20 0 BEADMP C[C@H]1C[C@@H](Nc2cc[nH+]cc2C2CC2)CC[N@H+]1C ZINC000872463049 589942113 /nfs/dbraw/zinc/94/21/13/589942113.db2.gz HKKVXKVODPJSHG-AAEUAGOBSA-N 2 1 245.370 2.276 20 0 BEADMP CN(C[C@@H]1CCC[N@H+]1C)c1cc[nH+]cc1C1CC1 ZINC000872574063 589953656 /nfs/dbraw/zinc/95/36/56/589953656.db2.gz XUOXJMCTXYKPJO-ZDUSSCGKSA-N 2 1 245.370 2.489 20 0 BEADMP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@@H]1F ZINC000873217388 589998165 /nfs/dbraw/zinc/99/81/65/589998165.db2.gz LDNJNDBTPAIXTF-SDDRHHMPSA-N 2 1 216.344 2.230 20 0 BEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC2(C)CC2)C1 ZINC000873223959 590001255 /nfs/dbraw/zinc/00/12/55/590001255.db2.gz VTVJESDEZYHQLR-AWEZNQCLSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)C1CC1 ZINC000873236014 590004081 /nfs/dbraw/zinc/00/40/81/590004081.db2.gz VVGDQBFJZVXLSO-JQWIXIFHSA-N 2 1 210.365 2.153 20 0 BEADMP CC1(C)CC[C@@H](C[NH2+][C@H]2CCCSC2)[NH2+]C1 ZINC000873236739 590004773 /nfs/dbraw/zinc/00/47/73/590004773.db2.gz JJWQAMFSIAAJOD-RYUDHWBXSA-N 2 1 242.432 2.250 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCCC1CC1 ZINC000873253232 590009438 /nfs/dbraw/zinc/00/94/38/590009438.db2.gz VKCVMAYAJDMOQM-DGCLKSJQSA-N 2 1 210.365 2.154 20 0 BEADMP CC[N@H+](CC[NH2+]CC1(COC)CCC1)C(C)C ZINC000876996663 590266995 /nfs/dbraw/zinc/26/69/95/590266995.db2.gz YPHRPABYHIXZEL-UHFFFAOYSA-N 2 1 242.407 2.123 20 0 BEADMP CC[N@@H+](CC[NH2+]CC1(COC)CCC1)C(C)C ZINC000876996663 590266996 /nfs/dbraw/zinc/26/69/96/590266996.db2.gz YPHRPABYHIXZEL-UHFFFAOYSA-N 2 1 242.407 2.123 20 0 BEADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]21 ZINC000877741286 590408795 /nfs/dbraw/zinc/40/87/95/590408795.db2.gz AKBLAFNJTIXEBA-GJZGRUSLSA-N 2 1 230.355 2.213 20 0 BEADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]21 ZINC000877741286 590408797 /nfs/dbraw/zinc/40/87/97/590408797.db2.gz AKBLAFNJTIXEBA-GJZGRUSLSA-N 2 1 230.355 2.213 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]21 ZINC000877741286 590408799 /nfs/dbraw/zinc/40/87/99/590408799.db2.gz AKBLAFNJTIXEBA-GJZGRUSLSA-N 2 1 230.355 2.213 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]21 ZINC000877741286 590408802 /nfs/dbraw/zinc/40/88/02/590408802.db2.gz AKBLAFNJTIXEBA-GJZGRUSLSA-N 2 1 230.355 2.213 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccccc3)CC[C@@H]21 ZINC000877743492 590410659 /nfs/dbraw/zinc/41/06/59/590410659.db2.gz WJSQAVRBSNHSPY-CVEARBPZSA-N 2 1 244.382 2.255 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3ccccc3)CC[C@@H]21 ZINC000877743492 590410660 /nfs/dbraw/zinc/41/06/60/590410660.db2.gz WJSQAVRBSNHSPY-CVEARBPZSA-N 2 1 244.382 2.255 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3ccccc3)CC[C@@H]21 ZINC000877743492 590410661 /nfs/dbraw/zinc/41/06/61/590410661.db2.gz WJSQAVRBSNHSPY-CVEARBPZSA-N 2 1 244.382 2.255 20 0 BEADMP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877743349 590412029 /nfs/dbraw/zinc/41/20/29/590412029.db2.gz KANVOGWPARNDAI-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877743349 590412030 /nfs/dbraw/zinc/41/20/30/590412030.db2.gz KANVOGWPARNDAI-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP CCC(CC)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877743349 590412033 /nfs/dbraw/zinc/41/20/33/590412033.db2.gz KANVOGWPARNDAI-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP CCC(CC)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877743349 590412036 /nfs/dbraw/zinc/41/20/36/590412036.db2.gz KANVOGWPARNDAI-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529965 590791626 /nfs/dbraw/zinc/79/16/26/590791626.db2.gz HQKOEXGVTYGOCV-ZNMIVQPWSA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529965 590791627 /nfs/dbraw/zinc/79/16/27/590791627.db2.gz HQKOEXGVTYGOCV-ZNMIVQPWSA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529965 590791628 /nfs/dbraw/zinc/79/16/28/590791628.db2.gz HQKOEXGVTYGOCV-ZNMIVQPWSA-N 2 1 234.387 2.369 20 0 BEADMP C[N@@H+]1CC[C@H]2C[NH+](CC3CC(F)(F)C3)CC[C@H]21 ZINC000879578444 590813410 /nfs/dbraw/zinc/81/34/10/590813410.db2.gz FECSQPDFZCCFPC-NWDGAFQWSA-N 2 1 244.329 2.058 20 0 BEADMP C[N@H+]1CC[C@H]2C[NH+](CC3CC(F)(F)C3)CC[C@H]21 ZINC000879578444 590813414 /nfs/dbraw/zinc/81/34/14/590813414.db2.gz FECSQPDFZCCFPC-NWDGAFQWSA-N 2 1 244.329 2.058 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](CC3CC(F)(F)C3)CC[C@H]21 ZINC000879578444 590813416 /nfs/dbraw/zinc/81/34/16/590813416.db2.gz FECSQPDFZCCFPC-NWDGAFQWSA-N 2 1 244.329 2.058 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](CC3CC(F)(F)C3)CC[C@H]21 ZINC000879578444 590813420 /nfs/dbraw/zinc/81/34/20/590813420.db2.gz FECSQPDFZCCFPC-NWDGAFQWSA-N 2 1 244.329 2.058 20 0 BEADMP CC(C)SCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879581492 590819878 /nfs/dbraw/zinc/81/98/78/590819878.db2.gz LLFLWHRGBMQOHI-OLZOCXBDSA-N 2 1 242.432 2.154 20 0 BEADMP CC(C)SCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879581492 590819881 /nfs/dbraw/zinc/81/98/81/590819881.db2.gz LLFLWHRGBMQOHI-OLZOCXBDSA-N 2 1 242.432 2.154 20 0 BEADMP CC(C)SCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879581492 590819885 /nfs/dbraw/zinc/81/98/85/590819885.db2.gz LLFLWHRGBMQOHI-OLZOCXBDSA-N 2 1 242.432 2.154 20 0 BEADMP CC(C)SCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879581492 590819888 /nfs/dbraw/zinc/81/98/88/590819888.db2.gz LLFLWHRGBMQOHI-OLZOCXBDSA-N 2 1 242.432 2.154 20 0 BEADMP C[N@@H+]1CC[C@H]2C[NH+](CCCCCF)CC[C@@H]21 ZINC000879583357 590820574 /nfs/dbraw/zinc/82/05/74/590820574.db2.gz YBCLOSIKXRTLSP-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[N@H+]1CC[C@H]2C[NH+](CCCCCF)CC[C@@H]21 ZINC000879583357 590820575 /nfs/dbraw/zinc/82/05/75/590820575.db2.gz YBCLOSIKXRTLSP-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](CCCCCF)CC[C@@H]21 ZINC000879583357 590820576 /nfs/dbraw/zinc/82/05/76/590820576.db2.gz YBCLOSIKXRTLSP-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](CCCCCF)CC[C@@H]21 ZINC000879583357 590820577 /nfs/dbraw/zinc/82/05/77/590820577.db2.gz YBCLOSIKXRTLSP-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020472 590910762 /nfs/dbraw/zinc/91/07/62/590910762.db2.gz KBTHLONQZIWRNG-CVEARBPZSA-N 2 1 244.382 2.460 20 0 BEADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020472 590910765 /nfs/dbraw/zinc/91/07/65/590910765.db2.gz KBTHLONQZIWRNG-CVEARBPZSA-N 2 1 244.382 2.460 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020472 590910768 /nfs/dbraw/zinc/91/07/68/590910768.db2.gz KBTHLONQZIWRNG-CVEARBPZSA-N 2 1 244.382 2.460 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020472 590910771 /nfs/dbraw/zinc/91/07/71/590910771.db2.gz KBTHLONQZIWRNG-CVEARBPZSA-N 2 1 244.382 2.460 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](CF)C1 ZINC000880236829 590968717 /nfs/dbraw/zinc/96/87/17/590968717.db2.gz JYZHMANYQBOEPT-ZDUSSCGKSA-N 2 1 230.371 2.400 20 0 BEADMP Cc1[nH+]ccn1CCC[NH+]1CCC(F)CC1 ZINC000880240305 590974409 /nfs/dbraw/zinc/97/44/09/590974409.db2.gz ULDKXCQXHYSXAV-UHFFFAOYSA-N 2 1 225.311 2.016 20 0 BEADMP FC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000880240311 590974586 /nfs/dbraw/zinc/97/45/86/590974586.db2.gz UQFNPBISDRUCQY-UHFFFAOYSA-N 2 1 228.355 2.296 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259551 590979679 /nfs/dbraw/zinc/97/96/79/590979679.db2.gz WAPLJJHDWAPPTG-MGPQQGTHSA-N 2 1 245.370 2.248 20 0 BEADMP C[C@H]1C[N@@H+](CCC2CC2)CCN1c1cc[nH+]cc1 ZINC000880260685 590980521 /nfs/dbraw/zinc/98/05/21/590980521.db2.gz RESHBHAEZDDIAW-ZDUSSCGKSA-N 2 1 245.370 2.392 20 0 BEADMP Cc1ncnc(NCCCC[N@H+](C)C2CC2)c1C ZINC000882436441 591348283 /nfs/dbraw/zinc/34/82/83/591348283.db2.gz ZAHMEAIAJYYDQZ-UHFFFAOYSA-N 2 1 248.374 2.380 20 0 BEADMP CCC[C@@H](C)CC[NH2+]C1CC[NH+](C)CC1 ZINC000883251495 591592958 /nfs/dbraw/zinc/59/29/58/591592958.db2.gz QXRJQHXDPRCZEZ-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CCc1ccc(NCc2nccn2CC)[nH+]c1 ZINC000883385822 591638901 /nfs/dbraw/zinc/63/89/01/591638901.db2.gz SZYXAMKNPNZHGQ-UHFFFAOYSA-N 2 1 230.315 2.473 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883416948 591652075 /nfs/dbraw/zinc/65/20/75/591652075.db2.gz JLQUAGUJSRAHJX-NEPJUHHUSA-N 2 1 246.345 2.353 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883417170 591652884 /nfs/dbraw/zinc/65/28/84/591652884.db2.gz PUBFCCGRABVPQD-QWRGUYRKSA-N 2 1 232.318 2.093 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+]1CC[C@H]1CCCC1(F)F ZINC000883417950 591654353 /nfs/dbraw/zinc/65/43/53/591654353.db2.gz SLSPAYLRBSIYRQ-GHMZBOCLSA-N 2 1 232.318 2.235 20 0 BEADMP [NH3+]C[C@H]1CCC[N@H+]1CC[C@H]1CCCC1(F)F ZINC000883417950 591654357 /nfs/dbraw/zinc/65/43/57/591654357.db2.gz SLSPAYLRBSIYRQ-GHMZBOCLSA-N 2 1 232.318 2.235 20 0 BEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC2(F)F)CC[C@H]1[NH3+] ZINC000883417807 591654451 /nfs/dbraw/zinc/65/44/51/591654451.db2.gz NSFKDSANWZQVLX-GRYCIOLGSA-N 2 1 246.345 2.481 20 0 BEADMP C=C/C=C/CC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000883429638 591660447 /nfs/dbraw/zinc/66/04/47/591660447.db2.gz AORYCBUOGPINEW-XDQHSUTASA-N 2 1 208.349 2.095 20 0 BEADMP C[C@]1(c2ccccc2)CCC[N@H+]1CCC[NH3+] ZINC000883459541 591674138 /nfs/dbraw/zinc/67/41/38/591674138.db2.gz ALRGZYJKWRLORV-CQSZACIVSA-N 2 1 218.344 2.346 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)CCSC)CC1 ZINC000134063627 591880531 /nfs/dbraw/zinc/88/05/31/591880531.db2.gz SURJXKSFIGZLEN-LLVKDONJSA-N 2 1 230.421 2.202 20 0 BEADMP C[N@@H+]1CC[C@H]2C[NH+](CC[C@@H]3C[C@H]3C3CC3)CC[C@H]21 ZINC000886310038 592205053 /nfs/dbraw/zinc/20/50/53/592205053.db2.gz CDPUMNHQOMHXGD-FXUDXRNXSA-N 2 1 248.414 2.449 20 0 BEADMP C[N@H+]1CC[C@H]2C[NH+](CC[C@@H]3C[C@H]3C3CC3)CC[C@H]21 ZINC000886310038 592205055 /nfs/dbraw/zinc/20/50/55/592205055.db2.gz CDPUMNHQOMHXGD-FXUDXRNXSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](CC[C@@H]3C[C@H]3C3CC3)CC[C@H]21 ZINC000886310038 592205057 /nfs/dbraw/zinc/20/50/57/592205057.db2.gz CDPUMNHQOMHXGD-FXUDXRNXSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](CC[C@@H]3C[C@H]3C3CC3)CC[C@H]21 ZINC000886310038 592205058 /nfs/dbraw/zinc/20/50/58/592205058.db2.gz CDPUMNHQOMHXGD-FXUDXRNXSA-N 2 1 248.414 2.449 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110128 592315149 /nfs/dbraw/zinc/31/51/49/592315149.db2.gz VUPKIEMVCGGHSY-OAHLLOKOSA-N 2 1 232.371 2.460 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110128 592315141 /nfs/dbraw/zinc/31/51/41/592315141.db2.gz VUPKIEMVCGGHSY-OAHLLOKOSA-N 2 1 232.371 2.460 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110128 592315144 /nfs/dbraw/zinc/31/51/44/592315144.db2.gz VUPKIEMVCGGHSY-OAHLLOKOSA-N 2 1 232.371 2.460 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C2(C3CC3)CCC2)CC[N@@H+]1C ZINC000886824894 592349270 /nfs/dbraw/zinc/34/92/70/592349270.db2.gz IVOOOJRNPFXOBV-WCQYABFASA-N 2 1 222.376 2.391 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C2(C3CC3)CCC2)CC[N@H+]1C ZINC000886824894 592349273 /nfs/dbraw/zinc/34/92/73/592349273.db2.gz IVOOOJRNPFXOBV-WCQYABFASA-N 2 1 222.376 2.391 20 0 BEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCSC(F)(F)F ZINC000886829593 592351809 /nfs/dbraw/zinc/35/18/09/592351809.db2.gz CYVVZNPQVGTDCR-MRVPVSSYSA-N 2 1 244.326 2.202 20 0 BEADMP C[C@H]1CC[N@@H+](CCOCC[NH3+])[C@@H]1c1ccccc1 ZINC000886858263 592370706 /nfs/dbraw/zinc/37/07/06/592370706.db2.gz UAJGODNDOHIWCP-ZFWWWQNUSA-N 2 1 248.370 2.045 20 0 BEADMP C(C1CCC1)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886870315 592375612 /nfs/dbraw/zinc/37/56/12/592375612.db2.gz VMWPTDTVJNRMKX-CQSZACIVSA-N 2 1 222.376 2.252 20 0 BEADMP C1=CCC(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000886873985 592376705 /nfs/dbraw/zinc/37/67/05/592376705.db2.gz CXXJNVLOQORBEH-HNNXBMFYSA-N 2 1 234.387 2.418 20 0 BEADMP CC[C@H](C)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874559 592376901 /nfs/dbraw/zinc/37/69/01/592376901.db2.gz QGGITXSBTYCGGS-QWHCGFSZSA-N 2 1 210.365 2.251 20 0 BEADMP c1cc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)ccn1 ZINC000886874752 592376978 /nfs/dbraw/zinc/37/69/78/592376978.db2.gz WDZROXKLGKCQGP-OAHLLOKOSA-N 2 1 245.370 2.047 20 0 BEADMP c1cc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)ccn1 ZINC000886874752 592376983 /nfs/dbraw/zinc/37/69/83/592376983.db2.gz WDZROXKLGKCQGP-OAHLLOKOSA-N 2 1 245.370 2.047 20 0 BEADMP C1=CCC(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000886873986 592377429 /nfs/dbraw/zinc/37/74/29/592377429.db2.gz CXXJNVLOQORBEH-OAHLLOKOSA-N 2 1 234.387 2.418 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886873928 592377527 /nfs/dbraw/zinc/37/75/27/592377527.db2.gz BOFYTCMINVOAHK-RDBSUJKOSA-N 2 1 222.376 2.108 20 0 BEADMP FC(F)C[N@H+](CC[C@H]1CCC[NH2+]C1)C1CCC1 ZINC000886881268 592380778 /nfs/dbraw/zinc/38/07/78/592380778.db2.gz WXYWKSAYLNWSLU-LLVKDONJSA-N 2 1 246.345 2.496 20 0 BEADMP FC(F)C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CCC1 ZINC000886881268 592380783 /nfs/dbraw/zinc/38/07/83/592380783.db2.gz WXYWKSAYLNWSLU-LLVKDONJSA-N 2 1 246.345 2.496 20 0 BEADMP FC(F)C[N@H+](CC[C@@H]1CC[NH2+]C1)C1CCC1 ZINC000886881280 592381260 /nfs/dbraw/zinc/38/12/60/592381260.db2.gz XOGCLYDAOLPLAI-JTQLQIEISA-N 2 1 232.318 2.106 20 0 BEADMP FC(F)C[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CCC1 ZINC000886881280 592381261 /nfs/dbraw/zinc/38/12/61/592381261.db2.gz XOGCLYDAOLPLAI-JTQLQIEISA-N 2 1 232.318 2.106 20 0 BEADMP CC[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134914 592448410 /nfs/dbraw/zinc/44/84/10/592448410.db2.gz SGHDYNFTKFLCNZ-STQMWFEESA-N 2 1 233.359 2.391 20 0 BEADMP C[NH+](C/C=C/C[N@@H+](C)CCCF)CCCF ZINC000887141271 592457201 /nfs/dbraw/zinc/45/72/01/592457201.db2.gz MDQFDCZVZFFTBH-ONEGZZNKSA-N 2 1 234.334 2.125 20 0 BEADMP CS[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000300359749 592507702 /nfs/dbraw/zinc/50/77/02/592507702.db2.gz RADYXVCYMWTTSN-ZDEQEGDKSA-N 2 1 242.432 2.343 20 0 BEADMP CS[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000300359749 592507706 /nfs/dbraw/zinc/50/77/06/592507706.db2.gz RADYXVCYMWTTSN-ZDEQEGDKSA-N 2 1 242.432 2.343 20 0 BEADMP CC[C@H](CC(C)C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC001246094924 987404103 /nfs/dbraw/zinc/40/41/03/987404103.db2.gz HAUYEJZDTNANRD-UPJWGTAASA-N 2 1 212.381 2.399 20 0 BEADMP CCSC[C@@H](C)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246582506 988117711 /nfs/dbraw/zinc/11/77/11/988117711.db2.gz NCWSZHBRWQODCA-NEPJUHHUSA-N 2 1 230.421 2.189 20 0 BEADMP C[C@]1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1(F)F ZINC000925710798 634409386 /nfs/dbraw/zinc/40/93/86/634409386.db2.gz QVMKIINZXMVKGK-WDEREUQCSA-N 2 1 244.329 2.296 20 0 BEADMP COc1ccc(C)cc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000125561672 634550254 /nfs/dbraw/zinc/55/02/54/634550254.db2.gz LTPQHUUPCQUJNT-ZDUSSCGKSA-N 2 1 248.370 2.174 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1C=CCC1)c1c[nH+]ccc1N ZINC000925731535 634567683 /nfs/dbraw/zinc/56/76/83/634567683.db2.gz LUUWYROTLVRYDJ-MNOVXSKESA-N 2 1 217.316 2.111 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]1CCCC1(F)F ZINC000925736742 634591154 /nfs/dbraw/zinc/59/11/54/634591154.db2.gz OEEBNQXJRIMUFF-WOPDTQHZSA-N 2 1 246.345 2.400 20 0 BEADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])[C@@H](C)CO1 ZINC000223221858 635363154 /nfs/dbraw/zinc/36/31/54/635363154.db2.gz DVTBGNYSBNZVBI-QWHCGFSZSA-N 2 1 228.380 2.005 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCCc2cccnc21)[C@H]1CC[NH2+]C1 ZINC000925872167 635587197 /nfs/dbraw/zinc/58/71/97/635587197.db2.gz QGAKDFUDTPMDPK-XBFCOCLRSA-N 2 1 245.370 2.047 20 0 BEADMP C[C@H]([NH2+][C@H]1CCCc2cccnc21)[C@@H]1CC[NH2+]C1 ZINC000925872168 635587769 /nfs/dbraw/zinc/58/77/69/635587769.db2.gz QGAKDFUDTPMDPK-YUTCNCBUSA-N 2 1 245.370 2.047 20 0 BEADMP C[C@H]([NH2+][C@H]1CCCc2cccnc21)[C@H]1CC[NH2+]C1 ZINC000925872166 635588325 /nfs/dbraw/zinc/58/83/25/635588325.db2.gz QGAKDFUDTPMDPK-UBHSHLNASA-N 2 1 245.370 2.047 20 0 BEADMP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1 ZINC000933746588 631501980 /nfs/dbraw/zinc/50/19/80/631501980.db2.gz XIGLNUAUOVKWKF-CVEARBPZSA-N 2 1 244.382 2.379 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000933746588 631501992 /nfs/dbraw/zinc/50/19/92/631501992.db2.gz XIGLNUAUOVKWKF-CVEARBPZSA-N 2 1 244.382 2.379 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000933746588 631501999 /nfs/dbraw/zinc/50/19/99/631501999.db2.gz XIGLNUAUOVKWKF-CVEARBPZSA-N 2 1 244.382 2.379 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])CC(C)(C)C ZINC000045089683 631829023 /nfs/dbraw/zinc/82/90/23/631829023.db2.gz BIIWWOQJOQXBAN-UHFFFAOYSA-N 2 1 200.370 2.483 20 0 BEADMP Cc1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)c(C)o1 ZINC000309343705 632006613 /nfs/dbraw/zinc/00/66/13/632006613.db2.gz LAJCCOFBZDFUJN-SNVBAGLBSA-N 2 1 224.348 2.184 20 0 BEADMP CC(C)C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000051919295 632013050 /nfs/dbraw/zinc/01/30/50/632013050.db2.gz QBQBCYJTPABAKJ-CYBMUJFWSA-N 2 1 224.392 2.497 20 0 BEADMP [NH3+]C[C@@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000224203443 632014418 /nfs/dbraw/zinc/01/44/18/632014418.db2.gz NWZIHPNDOZRZIH-SWLSCSKDSA-N 2 1 230.355 2.345 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000219749412 632561361 /nfs/dbraw/zinc/56/13/61/632561361.db2.gz OZCISRRGALPMJP-OLZOCXBDSA-N 2 1 210.365 2.108 20 0 BEADMP CC[C@H](C)C[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000219753363 632562367 /nfs/dbraw/zinc/56/23/67/632562367.db2.gz QHCBIGODYLZGAA-STQMWFEESA-N 2 1 212.381 2.354 20 0 BEADMP Cc1ccsc1C[NH2+]C[C@H]([NH3+])CC(F)F ZINC000309053014 632630931 /nfs/dbraw/zinc/63/09/31/632630931.db2.gz QYNCLWSFKLZMGU-MRVPVSSYSA-N 2 1 234.315 2.129 20 0 BEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000235735146 632822852 /nfs/dbraw/zinc/82/28/52/632822852.db2.gz FIPXVRBDYOSUNV-MRXNPFEDSA-N 2 1 244.382 2.346 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2C(C)(C)C2(C)C)CC[N@@H+]1C ZINC000156147365 632878078 /nfs/dbraw/zinc/87/80/78/632878078.db2.gz BESJBNIUUYHNKI-MNOVXSKESA-N 2 1 224.392 2.493 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2C(C)(C)C2(C)C)CC[N@H+]1C ZINC000156147365 632878082 /nfs/dbraw/zinc/87/80/82/632878082.db2.gz BESJBNIUUYHNKI-MNOVXSKESA-N 2 1 224.392 2.493 20 0 BEADMP CC1(C)CCC[N@H+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000309395054 633010358 /nfs/dbraw/zinc/01/03/58/633010358.db2.gz GETUMXLJSRPOAD-SNVBAGLBSA-N 2 1 234.334 2.481 20 0 BEADMP CC1(C)CCC[N@@H+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000309395054 633010361 /nfs/dbraw/zinc/01/03/61/633010361.db2.gz GETUMXLJSRPOAD-SNVBAGLBSA-N 2 1 234.334 2.481 20 0 BEADMP CC(C)[C@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000166320976 633109972 /nfs/dbraw/zinc/10/99/72/633109972.db2.gz UHPWXOGUEXGRPN-UONOGXRCSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@H](CC[NH2+]Cc1cc2cnccc2o1)[NH+](C)C ZINC000895291287 636132149 /nfs/dbraw/zinc/13/21/49/636132149.db2.gz BFZKHXYWZHMEGP-LLVKDONJSA-N 2 1 247.342 2.258 20 0 BEADMP CC(C)CCC[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000053343205 633760916 /nfs/dbraw/zinc/76/09/16/633760916.db2.gz OOVCOMLCTRVSBF-CYBMUJFWSA-N 2 1 212.381 2.497 20 0 BEADMP CC(C)CCC[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000053343205 633760920 /nfs/dbraw/zinc/76/09/20/633760920.db2.gz OOVCOMLCTRVSBF-CYBMUJFWSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000925532184 633926532 /nfs/dbraw/zinc/92/65/32/633926532.db2.gz FARJYHSJRTUJEM-UKRRQHHQSA-N 2 1 244.382 2.448 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC[C@@H]1C ZINC000309828960 634018587 /nfs/dbraw/zinc/01/85/87/634018587.db2.gz XZNNYPLXNSLWAC-AAEUAGOBSA-N 2 1 221.348 2.360 20 0 BEADMP COC[C@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000053196113 634069650 /nfs/dbraw/zinc/06/96/50/634069650.db2.gz UFFNYIHTNVQZIR-ZDUSSCGKSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000925602210 634129093 /nfs/dbraw/zinc/12/90/93/634129093.db2.gz RLYYFKFPMNUXGD-BLLLJJGKSA-N 2 1 244.382 2.132 20 0 BEADMP CCCC(O)(CCC)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925611616 634151269 /nfs/dbraw/zinc/15/12/69/634151269.db2.gz NNYCWLOECAQBEL-LBPRGKRZSA-N 2 1 242.407 2.048 20 0 BEADMP CCCC(O)(CCC)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925613712 634153603 /nfs/dbraw/zinc/15/36/03/634153603.db2.gz VZUYWEPGTMIHJM-OLZOCXBDSA-N 2 1 242.407 2.048 20 0 BEADMP Cc1occc1C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925615846 634160180 /nfs/dbraw/zinc/16/01/80/634160180.db2.gz IUQOTCQWHLGUNJ-RDBSUJKOSA-N 2 1 248.370 2.454 20 0 BEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC000925677755 634271751 /nfs/dbraw/zinc/27/17/51/634271751.db2.gz AQCIJZFVLWMEDR-LBPRGKRZSA-N 2 1 208.349 2.217 20 0 BEADMP C[N@H+](CC[NH2+]C(C)(C)C)CC1CCCC1 ZINC000053661270 634295023 /nfs/dbraw/zinc/29/50/23/634295023.db2.gz SWPPPKJYDOMHFI-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP C[N@@H+](CC[NH2+]C(C)(C)C)CC1CCCC1 ZINC000053661270 634295027 /nfs/dbraw/zinc/29/50/27/634295027.db2.gz SWPPPKJYDOMHFI-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H](N)[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccccc1 ZINC000925693169 634328192 /nfs/dbraw/zinc/32/81/92/634328192.db2.gz LSJZTQIPFWAFGQ-OSRDXIQISA-N 2 1 248.370 2.232 20 0 BEADMP C[N@@H+]1C[C@]2(C)C[NH+](CCC3CCC3)C[C@]2(C)C1 ZINC000931319546 634339983 /nfs/dbraw/zinc/33/99/83/634339983.db2.gz YKVHNPZANQQEIQ-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP C[N@H+]1C[C@]2(C)C[NH+](CCC3CCC3)C[C@]2(C)C1 ZINC000931319546 634339989 /nfs/dbraw/zinc/33/99/89/634339989.db2.gz YKVHNPZANQQEIQ-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1C[C@]2(C)C[N@H+](CCC3CCC3)C[C@]2(C)C1 ZINC000931319546 634339994 /nfs/dbraw/zinc/33/99/94/634339994.db2.gz YKVHNPZANQQEIQ-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1C[C@]2(C)C[N@@H+](CCC3CCC3)C[C@]2(C)C1 ZINC000931319546 634340000 /nfs/dbraw/zinc/34/00/00/634340000.db2.gz YKVHNPZANQQEIQ-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000925695034 634340654 /nfs/dbraw/zinc/34/06/54/634340654.db2.gz VSGJTNPFKUAPRF-OCCSQVGLSA-N 2 1 247.386 2.089 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)CS1 ZINC000925700156 634371411 /nfs/dbraw/zinc/37/14/11/634371411.db2.gz ZDIMMSPWVRPQLC-WOPDTQHZSA-N 2 1 240.416 2.145 20 0 BEADMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC1CCC1 ZINC000931717837 635272661 /nfs/dbraw/zinc/27/26/61/635272661.db2.gz DLMOLEQOBQXRSM-UONOGXRCSA-N 2 1 222.376 2.345 20 0 BEADMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC1CCC1 ZINC000931717837 635272671 /nfs/dbraw/zinc/27/26/71/635272671.db2.gz DLMOLEQOBQXRSM-UONOGXRCSA-N 2 1 222.376 2.345 20 0 BEADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC1CCC1 ZINC000931717837 635272680 /nfs/dbraw/zinc/27/26/80/635272680.db2.gz DLMOLEQOBQXRSM-UONOGXRCSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC1CCC1 ZINC000931717837 635272686 /nfs/dbraw/zinc/27/26/86/635272686.db2.gz DLMOLEQOBQXRSM-UONOGXRCSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC1CCC1 ZINC000931717837 635272696 /nfs/dbraw/zinc/27/26/96/635272696.db2.gz DLMOLEQOBQXRSM-UONOGXRCSA-N 2 1 222.376 2.345 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000094338883 635299306 /nfs/dbraw/zinc/29/93/06/635299306.db2.gz CNATUTXXMAPJHG-HIFRSBDPSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000094338968 635299428 /nfs/dbraw/zinc/29/94/28/635299428.db2.gz ZMRSGTGXXAFISQ-UKRRQHHQSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1ccc(OCC[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000163197842 636212820 /nfs/dbraw/zinc/21/28/20/636212820.db2.gz LLBUTRIDTFBXIY-ZIAGYGMSSA-N 2 1 248.370 2.043 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC000450470905 636443238 /nfs/dbraw/zinc/44/32/38/636443238.db2.gz JJHLYVGQHMITLB-LLVKDONJSA-N 2 1 246.345 2.305 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC000450470905 636443241 /nfs/dbraw/zinc/44/32/41/636443241.db2.gz JJHLYVGQHMITLB-LLVKDONJSA-N 2 1 246.345 2.305 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000450470905 636443244 /nfs/dbraw/zinc/44/32/44/636443244.db2.gz JJHLYVGQHMITLB-LLVKDONJSA-N 2 1 246.345 2.305 20 0 BEADMP C[C@@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000928997328 636699169 /nfs/dbraw/zinc/69/91/69/636699169.db2.gz HXRAAUPWNWIZOR-CWRNSKLLSA-N 2 1 244.382 2.331 20 0 BEADMP Cc1ccc(C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000089749127 636909085 /nfs/dbraw/zinc/90/90/85/636909085.db2.gz IMLOQNLRNGTSAT-AWEZNQCLSA-N 2 1 232.371 2.426 20 0 BEADMP COCC[C@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866707712 636931881 /nfs/dbraw/zinc/93/18/81/636931881.db2.gz VSFVKUPGYMOCQR-GXTWGEPZSA-N 2 1 242.407 2.108 20 0 BEADMP CC(C)(C)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000041051410 636958115 /nfs/dbraw/zinc/95/81/15/636958115.db2.gz JHXLCIWCZUAJGC-LLVKDONJSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)(C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000041051369 636960357 /nfs/dbraw/zinc/96/03/57/636960357.db2.gz KOKKCDCHDGBOEM-UHFFFAOYSA-N 2 1 210.365 2.249 20 0 BEADMP CCO[C@@H](C[NH2+][C@@H](CC)C(C)(C)C)C[NH+](C)C ZINC000926957734 636970841 /nfs/dbraw/zinc/97/08/41/636970841.db2.gz CRSCIHQMKJPJSN-STQMWFEESA-N 2 1 244.423 2.367 20 0 BEADMP CCO[C@H](C[NH2+][C@H](C)CC1CCC1)C[NH+](C)C ZINC000926962786 636973336 /nfs/dbraw/zinc/97/33/36/636973336.db2.gz MVCKSKIEQRIYBD-TZMCWYRMSA-N 2 1 242.407 2.121 20 0 BEADMP CCO[C@H](C[NH2+][C@H](C)CCC1CC1)C[NH+](C)C ZINC000926965012 636977690 /nfs/dbraw/zinc/97/76/90/636977690.db2.gz ZEKPMUAKHXBRRF-TZMCWYRMSA-N 2 1 242.407 2.121 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CCCC1 ZINC000924778469 637192417 /nfs/dbraw/zinc/19/24/17/637192417.db2.gz ORJCLCSFVXUFTP-PBWFPOADSA-N 2 1 222.376 2.106 20 0 BEADMP CCO[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000042425546 637244395 /nfs/dbraw/zinc/24/43/95/637244395.db2.gz XZJGFXAHRFVFPD-CYBMUJFWSA-N 2 1 228.380 2.006 20 0 BEADMP COc1ccc(C[N@H+](C)CCC[NH2+]C2CC2)cc1 ZINC000042442182 637251842 /nfs/dbraw/zinc/25/18/42/637251842.db2.gz RFAHPLPMZIDCAG-UHFFFAOYSA-N 2 1 248.370 2.269 20 0 BEADMP COc1ccc(C[N@@H+](C)CCC[NH2+]C2CC2)cc1 ZINC000042442182 637251852 /nfs/dbraw/zinc/25/18/52/637251852.db2.gz RFAHPLPMZIDCAG-UHFFFAOYSA-N 2 1 248.370 2.269 20 0 BEADMP CC[N@@H+](CCCCCCC[NH3+])C[C@@H]1CCCO1 ZINC000042471407 637269405 /nfs/dbraw/zinc/26/94/05/637269405.db2.gz NHXKLAPBXSOMKM-AWEZNQCLSA-N 2 1 242.407 2.397 20 0 BEADMP FCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903123910 637344821 /nfs/dbraw/zinc/34/48/21/637344821.db2.gz CWZVJRDZTICCJN-VGPLMAKISA-N 2 1 226.339 2.093 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC[C@H]1C1CCC1 ZINC000903461440 637362597 /nfs/dbraw/zinc/36/25/97/637362597.db2.gz UGOCGLIQFHJZGE-SNPRPXQTSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@]1(C)CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903438078 637363057 /nfs/dbraw/zinc/36/30/57/637363057.db2.gz QOOQGYKBXWHNJM-HZSPNIEDSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000903461441 637363135 /nfs/dbraw/zinc/36/31/35/637363135.db2.gz UGOCGLIQFHJZGE-VHDGCEQUSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@]1(C[NH2+][C@H]2CCCc3cccnc32)CC[NH2+]C1 ZINC000904427954 637398432 /nfs/dbraw/zinc/39/84/32/637398432.db2.gz BMDFWLJOAPHEDA-DZGCQCFKSA-N 2 1 245.370 2.048 20 0 BEADMP Cc1ccc(C[NH2+]CC2([NH3+])CC2)cc1Cl ZINC000904442590 637411831 /nfs/dbraw/zinc/41/18/31/637411831.db2.gz FPJTYMBBLMBYER-UHFFFAOYSA-N 2 1 224.735 2.229 20 0 BEADMP CC1(C)C[NH2+]C[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000904460710 637421516 /nfs/dbraw/zinc/42/15/16/637421516.db2.gz CBSOGVXXQQONIO-KKUMJFAQSA-N 2 1 244.382 2.378 20 0 BEADMP Cc1cccc(C)c1C[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904469968 637424142 /nfs/dbraw/zinc/42/41/42/637424142.db2.gz SPAWXGPOZRAENT-OKILXGFUSA-N 2 1 232.371 2.473 20 0 BEADMP CCc1cccc(Cl)c1C[NH2+]C1CC([NH3+])C1 ZINC000906509906 638181089 /nfs/dbraw/zinc/18/10/89/638181089.db2.gz BDWWTNLEVKQVJF-UHFFFAOYSA-N 2 1 238.762 2.482 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000841089315 639215185 /nfs/dbraw/zinc/21/51/85/639215185.db2.gz LMVBOSSVARPEBT-CQSZACIVSA-N 2 1 245.370 2.154 20 0 BEADMP C[C@@H](C1CC1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000930602255 639817066 /nfs/dbraw/zinc/81/70/66/639817066.db2.gz OLYWYGRYUYLNBP-GXTWGEPZSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H](C1CC1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000930602255 639817067 /nfs/dbraw/zinc/81/70/67/639817067.db2.gz OLYWYGRYUYLNBP-GXTWGEPZSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H](C1CC1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000930602255 639817068 /nfs/dbraw/zinc/81/70/68/639817068.db2.gz OLYWYGRYUYLNBP-GXTWGEPZSA-N 2 1 222.376 2.203 20 0 BEADMP CC1CC(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000930601382 639817419 /nfs/dbraw/zinc/81/74/19/639817419.db2.gz HFPMLQFOZNOOPT-NRXISQOPSA-N 2 1 236.403 2.450 20 0 BEADMP CC1CC(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000930601382 639817420 /nfs/dbraw/zinc/81/74/20/639817420.db2.gz HFPMLQFOZNOOPT-NRXISQOPSA-N 2 1 236.403 2.450 20 0 BEADMP CC1CC(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000930601382 639817421 /nfs/dbraw/zinc/81/74/21/639817421.db2.gz HFPMLQFOZNOOPT-NRXISQOPSA-N 2 1 236.403 2.450 20 0 BEADMP CC(C)=CC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931307472 640142038 /nfs/dbraw/zinc/14/20/38/640142038.db2.gz LABRGGPJACBDSV-ZIAGYGMSSA-N 2 1 222.376 2.226 20 0 BEADMP C[NH+]1C[C@]2(C)C[NH+](CC3CC=CC3)C[C@@]2(C)C1 ZINC000931313400 640144499 /nfs/dbraw/zinc/14/44/99/640144499.db2.gz BCUGEMPGPYVXSZ-HUUCEWRRSA-N 2 1 234.387 2.226 20 0 BEADMP C[NH+]1C[C@@]2(C)C[NH+](CCCCCF)C[C@]2(C)C1 ZINC000931313850 640150687 /nfs/dbraw/zinc/15/06/87/640150687.db2.gz GYKSFOBCNXWWQY-KBPBESRZSA-N 2 1 242.382 2.400 20 0 BEADMP C[NH+](C)C1(C)CC[NH+](CCc2ccccn2)CC1 ZINC000931349084 640168587 /nfs/dbraw/zinc/16/85/87/640168587.db2.gz SRVRZDJDGNBMBP-UHFFFAOYSA-N 2 1 247.386 2.040 20 0 BEADMP C[C@@H](c1ccncc1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931439984 640205669 /nfs/dbraw/zinc/20/56/69/640205669.db2.gz RKVDPYZZOPBGED-AEGPPILISA-N 2 1 245.370 2.026 20 0 BEADMP C[C@@H](c1ccncc1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931439984 640205672 /nfs/dbraw/zinc/20/56/72/640205672.db2.gz RKVDPYZZOPBGED-AEGPPILISA-N 2 1 245.370 2.026 20 0 BEADMP CCC[C@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931439741 640207776 /nfs/dbraw/zinc/20/77/76/640207776.db2.gz YRIZVRAFIVSCAM-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP CCC[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931439741 640207779 /nfs/dbraw/zinc/20/77/79/640207779.db2.gz YRIZVRAFIVSCAM-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP C[C@@H](C1CC1)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000931683203 640311551 /nfs/dbraw/zinc/31/15/51/640311551.db2.gz HKVUHGNJNLWFCL-STQMWFEESA-N 2 1 245.370 2.391 20 0 BEADMP CC[C@H]1C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CCS1 ZINC000222152999 640457389 /nfs/dbraw/zinc/45/73/89/640457389.db2.gz AJRWQTOQBFZSTE-STQMWFEESA-N 2 1 242.432 2.204 20 0 BEADMP CC(C)[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000166318223 640629250 /nfs/dbraw/zinc/62/92/50/640629250.db2.gz UBDYEKJHLLLXNO-UPJWGTAASA-N 2 1 210.365 2.092 20 0 BEADMP C=C/C=C/CC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933734459 640761348 /nfs/dbraw/zinc/76/13/48/640761348.db2.gz QGZHAVSAPAARFQ-IHDARNGBSA-N 2 1 220.360 2.002 20 0 BEADMP C=C/C=C/CC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933734459 640761353 /nfs/dbraw/zinc/76/13/53/640761353.db2.gz QGZHAVSAPAARFQ-IHDARNGBSA-N 2 1 220.360 2.002 20 0 BEADMP C=C/C=C/CC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933734459 640761357 /nfs/dbraw/zinc/76/13/57/640761357.db2.gz QGZHAVSAPAARFQ-IHDARNGBSA-N 2 1 220.360 2.002 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3CCCC[C@@H]32)C1 ZINC000226590598 640778777 /nfs/dbraw/zinc/77/87/77/640778777.db2.gz VPSJLUIEJHHXTC-FQUUOJAGSA-N 2 1 222.376 2.378 20 0 BEADMP CN1CCC[C@H](C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000226817653 640795038 /nfs/dbraw/zinc/79/50/38/640795038.db2.gz OHENXFWTBXJNFY-TZMCWYRMSA-N 2 1 245.370 2.000 20 0 BEADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000226817653 640795042 /nfs/dbraw/zinc/79/50/42/640795042.db2.gz OHENXFWTBXJNFY-TZMCWYRMSA-N 2 1 245.370 2.000 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000226817653 640795047 /nfs/dbraw/zinc/79/50/47/640795047.db2.gz OHENXFWTBXJNFY-TZMCWYRMSA-N 2 1 245.370 2.000 20 0 BEADMP Cc1ccc(OCC[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000227072525 640813992 /nfs/dbraw/zinc/81/39/92/640813992.db2.gz XKAZSVCGPVKIFB-ZFWWWQNUSA-N 2 1 248.370 2.043 20 0 BEADMP Cc1cncc(C[N@H+](C)C2CCC([NH3+])CC2)c1 ZINC000228621583 640886803 /nfs/dbraw/zinc/88/68/03/640886803.db2.gz PFVCETTUIWMNQI-UHFFFAOYSA-N 2 1 233.359 2.092 20 0 BEADMP CSCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000228874295 640901705 /nfs/dbraw/zinc/90/17/05/640901705.db2.gz SLYIQRRSMKKALE-ODWCKFRGSA-N 2 1 242.432 2.343 20 0 BEADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])CCCO1 ZINC000061934493 641007949 /nfs/dbraw/zinc/00/79/49/641007949.db2.gz JGSWNNUCLIBVQT-CYBMUJFWSA-N 2 1 228.380 2.006 20 0 BEADMP C[C@@]1(C[N@H+]2CCc3ccccc3C2)CCC[NH2+]C1 ZINC000062861736 641100677 /nfs/dbraw/zinc/10/06/77/641100677.db2.gz HYTMEDVSVURZLK-MRXNPFEDSA-N 2 1 244.382 2.434 20 0 BEADMP C[N@@H+](CC(C)(C)C)C[C@]1(C)CCC[NH2+]C1 ZINC000062867737 641103942 /nfs/dbraw/zinc/10/39/42/641103942.db2.gz FVJRTXAQENZGRP-CYBMUJFWSA-N 2 1 212.381 2.354 20 0 BEADMP CC(C)[C@H](c1ccccc1)[N@H+](C)CCN ZINC000063019980 641120890 /nfs/dbraw/zinc/12/08/90/641120890.db2.gz MAIPTTNJFGTIEH-CYBMUJFWSA-N 2 1 206.333 2.274 20 0 BEADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)CCN ZINC000063019980 641120894 /nfs/dbraw/zinc/12/08/94/641120894.db2.gz MAIPTTNJFGTIEH-CYBMUJFWSA-N 2 1 206.333 2.274 20 0 BEADMP CC(C)[C@H](c1ccccc1)[N@H+](C)CC[NH3+] ZINC000063019980 641120896 /nfs/dbraw/zinc/12/08/96/641120896.db2.gz MAIPTTNJFGTIEH-CYBMUJFWSA-N 2 1 206.333 2.274 20 0 BEADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)CC[NH3+] ZINC000063019980 641120898 /nfs/dbraw/zinc/12/08/98/641120898.db2.gz MAIPTTNJFGTIEH-CYBMUJFWSA-N 2 1 206.333 2.274 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[Si](C)(C)C)C1 ZINC000173913403 641217991 /nfs/dbraw/zinc/21/79/91/641217991.db2.gz QYJWEFUKYRNNLM-LBPRGKRZSA-N 2 1 228.456 2.137 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[Si](C)(C)C)C1 ZINC000173913403 641217978 /nfs/dbraw/zinc/21/79/78/641217978.db2.gz QYJWEFUKYRNNLM-LBPRGKRZSA-N 2 1 228.456 2.137 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[Si](C)(C)C)C1 ZINC000173913403 641217985 /nfs/dbraw/zinc/21/79/85/641217985.db2.gz QYJWEFUKYRNNLM-LBPRGKRZSA-N 2 1 228.456 2.137 20 0 BEADMP C[C@@H]1CC=CC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000934620999 641218641 /nfs/dbraw/zinc/21/86/41/641218641.db2.gz OHEBBIPKJBGJQK-HZSPNIEDSA-N 2 1 222.376 2.415 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000929697057 641403509 /nfs/dbraw/zinc/40/35/09/641403509.db2.gz QEPSXSFYVCRKKX-ZNMIVQPWSA-N 2 1 236.403 2.450 20 0 BEADMP CC[C@H]1CO[C@H](C)C[N@H+]1CCCCCCC[NH3+] ZINC000042452099 641552581 /nfs/dbraw/zinc/55/25/81/641552581.db2.gz GQAXKTIRMLKWPH-KGLIPLIRSA-N 2 1 242.407 2.395 20 0 BEADMP CC[N@@H+](CCCCCC[NH3+])C[C@H]1CCCO1 ZINC000042471366 641552674 /nfs/dbraw/zinc/55/26/74/641552674.db2.gz UZBKENYOERYMOC-CYBMUJFWSA-N 2 1 228.380 2.006 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCC1CC1 ZINC000925438624 642059463 /nfs/dbraw/zinc/05/94/63/642059463.db2.gz ZDKUSDSYUWVVLW-PBWFPOADSA-N 2 1 222.376 2.106 20 0 BEADMP CC[C@@H](C)C[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC000093066493 642455804 /nfs/dbraw/zinc/45/58/04/642455804.db2.gz KBXRDTDIEWVEPK-CHWSQXEVSA-N 2 1 212.381 2.354 20 0 BEADMP CCCC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000232954388 642637541 /nfs/dbraw/zinc/63/75/41/642637541.db2.gz HBEBFCYBMDANBF-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@@H+](CC1CC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000068947611 642814865 /nfs/dbraw/zinc/81/48/65/642814865.db2.gz YSOSVXWOLZAKGC-ZDUSSCGKSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCc1cccs1 ZINC000082602689 643353656 /nfs/dbraw/zinc/35/36/56/643353656.db2.gz CSAOBKPONLOJBB-DGCLKSJQSA-N 2 1 238.400 2.492 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCc1cccs1 ZINC000082602689 643353662 /nfs/dbraw/zinc/35/36/62/643353662.db2.gz CSAOBKPONLOJBB-DGCLKSJQSA-N 2 1 238.400 2.492 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+]CC2(C)CCCC2)C1 ZINC000082619092 643355135 /nfs/dbraw/zinc/35/51/35/643355135.db2.gz CATQODMDFABCAT-CYBMUJFWSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@H]1c2cccn2CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000788010023 643596916 /nfs/dbraw/zinc/59/69/16/643596916.db2.gz QISYTZGASBDLDR-ZDUSSCGKSA-N 2 1 247.386 2.207 20 0 BEADMP C[C@H]1c2cccn2CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000788010023 643596919 /nfs/dbraw/zinc/59/69/19/643596919.db2.gz QISYTZGASBDLDR-ZDUSSCGKSA-N 2 1 247.386 2.207 20 0 BEADMP C[C@@H]1CC[C@H](C)C[N@@H+]1CCC[NH2+]C1CC1 ZINC000084046574 643643113 /nfs/dbraw/zinc/64/31/13/643643113.db2.gz MXNKIBCQPHNFAG-NWDGAFQWSA-N 2 1 210.365 2.249 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)c(C)c1 ZINC000050245201 643656815 /nfs/dbraw/zinc/65/68/15/643656815.db2.gz KCRPIEWMJVFHQU-CYBMUJFWSA-N 2 1 218.344 2.084 20 0 BEADMP [NH3+]C[C@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000050245416 643661911 /nfs/dbraw/zinc/66/19/11/643661911.db2.gz UAOKAJPZOQMLJV-LLVKDONJSA-N 2 1 224.735 2.121 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000050245416 643661916 /nfs/dbraw/zinc/66/19/16/643661916.db2.gz UAOKAJPZOQMLJV-LLVKDONJSA-N 2 1 224.735 2.121 20 0 BEADMP CC(C)C[C@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000307802635 643668421 /nfs/dbraw/zinc/66/84/21/643668421.db2.gz KUCCOGXJDOLTRB-MNOVXSKESA-N 2 1 234.334 2.337 20 0 BEADMP CC(C)C[C@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000307802635 643668424 /nfs/dbraw/zinc/66/84/24/643668424.db2.gz KUCCOGXJDOLTRB-MNOVXSKESA-N 2 1 234.334 2.337 20 0 BEADMP CC[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000085014699 643678837 /nfs/dbraw/zinc/67/88/37/643678837.db2.gz KINPNUYVSSBICA-XQQFMLRXSA-N 2 1 210.365 2.236 20 0 BEADMP CC(C)[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251451266 643802667 /nfs/dbraw/zinc/80/26/67/643802667.db2.gz XDVGEVPANYXWQM-ZIAGYGMSSA-N 2 1 224.392 2.497 20 0 BEADMP CCO[C@@H](C[NH2+]CC1CCCCC1)C[NH+](C)C ZINC000922758749 644087644 /nfs/dbraw/zinc/08/76/44/644087644.db2.gz DABFWORPHFZIKM-AWEZNQCLSA-N 2 1 242.407 2.123 20 0 BEADMP CC(C)C[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000086573170 644151729 /nfs/dbraw/zinc/15/17/29/644151729.db2.gz AJZPGKBVQHDTOP-AGUYFDCRSA-N 2 1 224.392 2.495 20 0 BEADMP CCCCCC[C@@H](O)C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000923282776 644318920 /nfs/dbraw/zinc/31/89/20/644318920.db2.gz XSFSMLKXOWFOLQ-UONOGXRCSA-N 2 1 242.407 2.131 20 0 BEADMP CCCCCC[C@@H](O)C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000923282776 644318929 /nfs/dbraw/zinc/31/89/29/644318929.db2.gz XSFSMLKXOWFOLQ-UONOGXRCSA-N 2 1 242.407 2.131 20 0 BEADMP CCCCCC[C@@H](O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000923294800 644332921 /nfs/dbraw/zinc/33/29/21/644332921.db2.gz QARUHDPJBQURNT-CYBMUJFWSA-N 2 1 244.423 2.234 20 0 BEADMP C[C@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@H]1C[NH3+] ZINC000923412715 644413757 /nfs/dbraw/zinc/41/37/57/644413757.db2.gz TUQLSRRWOHRZEL-GXTWGEPZSA-N 2 1 236.403 2.483 20 0 BEADMP C[C@@H]1CC[C@@H](C)[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000084047063 644414552 /nfs/dbraw/zinc/41/45/52/644414552.db2.gz IKXIBSPLKGSXMV-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1CC[C@@H](C)[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000084047063 644414559 /nfs/dbraw/zinc/41/45/59/644414559.db2.gz IKXIBSPLKGSXMV-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CC1CCC2(CC2)CC1 ZINC000923411282 644415143 /nfs/dbraw/zinc/41/51/43/644415143.db2.gz BZSHAZHMAKUXQQ-AAEUAGOBSA-N 2 1 222.376 2.378 20 0 BEADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CC1CCC2(CC2)CC1 ZINC000923411282 644415146 /nfs/dbraw/zinc/41/51/46/644415146.db2.gz BZSHAZHMAKUXQQ-AAEUAGOBSA-N 2 1 222.376 2.378 20 0 BEADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923456168 644434534 /nfs/dbraw/zinc/43/45/34/644434534.db2.gz LYSLUNJTMLCBDK-HZSPNIEDSA-N 2 1 224.392 2.352 20 0 BEADMP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923456168 644434530 /nfs/dbraw/zinc/43/45/30/644434530.db2.gz LYSLUNJTMLCBDK-HZSPNIEDSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@H]1C[N@@H+](CCCCCF)CC[C@H]1C[NH3+] ZINC000923495301 644461902 /nfs/dbraw/zinc/46/19/02/644461902.db2.gz BGEOUJUQBIWVCF-RYUDHWBXSA-N 2 1 216.344 2.043 20 0 BEADMP C[C@H]1C[N@H+]([C@@H]2C[C@H]2C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000923492890 644467348 /nfs/dbraw/zinc/46/73/48/644467348.db2.gz QZUBRFLZITWPMW-UMSGYPCISA-N 2 1 224.392 2.338 20 0 BEADMP C[C@H]1C[N@@H+](Cc2cccc(F)c2)CC[C@H]1C[NH3+] ZINC000923498333 644473756 /nfs/dbraw/zinc/47/37/56/644473756.db2.gz HICJHAOKZXJCIE-AAEUAGOBSA-N 2 1 236.334 2.242 20 0 BEADMP C[C@H](c1ccncc1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500270 644474247 /nfs/dbraw/zinc/47/42/47/644474247.db2.gz NDAXBXDKJAZILY-BZPMIXESSA-N 2 1 233.359 2.059 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccccc2F)CC[C@@H]1C[NH3+] ZINC000923504203 644474604 /nfs/dbraw/zinc/47/46/04/644474604.db2.gz PWNHQOLPDZCBNO-VXGBXAGGSA-N 2 1 236.334 2.242 20 0 BEADMP C[C@H](c1cccnc1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501296 644476310 /nfs/dbraw/zinc/47/63/10/644476310.db2.gz PYLHVKMNDQBUGI-UPJWGTAASA-N 2 1 233.359 2.059 20 0 BEADMP C[C@@H](c1cccc(F)c1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517890 644479767 /nfs/dbraw/zinc/47/97/67/644479767.db2.gz HCDHAVVBIKGNDL-FPMFFAJLSA-N 2 1 248.345 2.428 20 0 BEADMP CCc1ccccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521306 644482453 /nfs/dbraw/zinc/48/24/53/644482453.db2.gz MPEKYVAIBAEJQA-JKSUJKDBSA-N 2 1 244.382 2.290 20 0 BEADMP Cc1ccc(CC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923519139 644483057 /nfs/dbraw/zinc/48/30/57/644483057.db2.gz PROUEYPBVPJKEX-JKSUJKDBSA-N 2 1 244.382 2.079 20 0 BEADMP C[C@@H](c1ccccc1F)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518547 644483878 /nfs/dbraw/zinc/48/38/78/644483878.db2.gz NDOXJFRXVWSBRX-RWMBFGLXSA-N 2 1 248.345 2.428 20 0 BEADMP Cc1csc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000087393680 644493770 /nfs/dbraw/zinc/49/37/70/644493770.db2.gz MOQNBOLSUMYNBP-NSHDSACASA-N 2 1 239.388 2.012 20 0 BEADMP Cc1cc(N[C@@H]2CCCC[C@@H]2C[NH3+])nc(C)[nH+]1 ZINC000089108713 644533763 /nfs/dbraw/zinc/53/37/63/644533763.db2.gz AVCPDMPUIHVCHR-VXGBXAGGSA-N 2 1 234.347 2.023 20 0 BEADMP Cc1cc(N[C@H]2CCCC[C@H]2C[NH3+])nc(C)[nH+]1 ZINC000089108716 644534735 /nfs/dbraw/zinc/53/47/35/644534735.db2.gz AVCPDMPUIHVCHR-RYUDHWBXSA-N 2 1 234.347 2.023 20 0 BEADMP Cc1ccc(C[N@@H+](C)CC[C@H]2CC[NH2+]C2)cc1 ZINC000089749129 644565645 /nfs/dbraw/zinc/56/56/45/644565645.db2.gz IMLOQNLRNGTSAT-CQSZACIVSA-N 2 1 232.371 2.426 20 0 BEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccnc1 ZINC000093513267 644694580 /nfs/dbraw/zinc/69/45/80/644694580.db2.gz XYKQCIPMSRYMOP-UKRRQHHQSA-N 2 1 247.386 2.482 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000251258886 644798497 /nfs/dbraw/zinc/79/84/97/644798497.db2.gz CNTOGWRHJYPMPP-XQQFMLRXSA-N 2 1 212.381 2.339 20 0 BEADMP C[C@H]1C[N@@H+](CC2CCCC2)CC[C@H]1C[NH3+] ZINC000251836165 644825697 /nfs/dbraw/zinc/82/56/97/644825697.db2.gz PZPJIZOQRIANKW-AAEUAGOBSA-N 2 1 210.365 2.093 20 0 BEADMP CC[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000251907040 644831066 /nfs/dbraw/zinc/83/10/66/644831066.db2.gz XKEBKRCVTQBFQV-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP CC(C)CCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000415141708 644885596 /nfs/dbraw/zinc/88/55/96/644885596.db2.gz PVFQUILZVABVJT-ZDUSSCGKSA-N 2 1 210.365 2.251 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000415141708 644885598 /nfs/dbraw/zinc/88/55/98/644885598.db2.gz PVFQUILZVABVJT-ZDUSSCGKSA-N 2 1 210.365 2.251 20 0 BEADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000415141990 644885822 /nfs/dbraw/zinc/88/58/22/644885822.db2.gz QFBKYCGTCAATEG-ZIAGYGMSSA-N 2 1 224.392 2.497 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000415136426 644886856 /nfs/dbraw/zinc/88/68/56/644886856.db2.gz HJILAGUXCBHDEY-ZDUSSCGKSA-N 2 1 210.365 2.251 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](CC)c1ccc2c(c1)CCO2 ZINC000817980450 644992756 /nfs/dbraw/zinc/99/27/56/644992756.db2.gz VCVIKZDAGPSJRH-KGLIPLIRSA-N 2 1 248.370 2.400 20 0 BEADMP CSC1CC([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC000926555062 645279967 /nfs/dbraw/zinc/27/99/67/645279967.db2.gz KJECWLANDDAVOQ-UHFFFAOYSA-N 2 1 242.432 2.344 20 0 BEADMP CSC1CC([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC000926555062 645279970 /nfs/dbraw/zinc/27/99/70/645279970.db2.gz KJECWLANDDAVOQ-UHFFFAOYSA-N 2 1 242.432 2.344 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1CC=CC1 ZINC000926947884 645495780 /nfs/dbraw/zinc/49/57/80/645495780.db2.gz BSIQGBYKFIXQJL-YIONKMFJSA-N 2 1 234.387 2.273 20 0 BEADMP CCCC[C@H](C)[NH2+]C[C@@H](C[NH+](C)C)OCC ZINC000926961634 645502004 /nfs/dbraw/zinc/50/20/04/645502004.db2.gz JTXXUQUPFFKDRP-STQMWFEESA-N 2 1 230.396 2.121 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCCCO2)CC[N@H+]1C ZINC000927019548 645518542 /nfs/dbraw/zinc/51/85/42/645518542.db2.gz FFHQLBRHPZKCRN-HZSPNIEDSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCCO2)CC[N@H+]1C ZINC000927019551 645518863 /nfs/dbraw/zinc/51/88/63/645518863.db2.gz FFHQLBRHPZKCRN-MGPQQGTHSA-N 2 1 240.391 2.018 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]23C[C@H]2CCC3)[C@H](C)C1 ZINC000927119010 645556007 /nfs/dbraw/zinc/55/60/07/645556007.db2.gz IOLOFGPWTKYOJT-KBXIAJHMSA-N 2 1 236.403 2.497 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]12C[C@H]1CCC2 ZINC000927121660 645557264 /nfs/dbraw/zinc/55/72/64/645557264.db2.gz NONUMSLJWMNZFG-LJIAPDMLSA-N 2 1 234.387 2.106 20 0 BEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000886839620 645890925 /nfs/dbraw/zinc/89/09/25/645890925.db2.gz IQSXRPHKKAOIFU-AGIUHOORSA-N 2 1 224.392 2.386 20 0 BEADMP C[C@H](Cc1ccco1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221887525 645894016 /nfs/dbraw/zinc/89/40/16/645894016.db2.gz UFBUHDMHGGVYHC-AGIUHOORSA-N 2 1 236.359 2.283 20 0 BEADMP C[C@H](Cc1ccco1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221887525 645894017 /nfs/dbraw/zinc/89/40/17/645894017.db2.gz UFBUHDMHGGVYHC-AGIUHOORSA-N 2 1 236.359 2.283 20 0 BEADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccns2)C1 ZINC000924704448 646092482 /nfs/dbraw/zinc/09/24/82/646092482.db2.gz DTFJLYTWIHTOAC-GHMZBOCLSA-N 2 1 239.388 2.136 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccns2)C1 ZINC000924704448 646092488 /nfs/dbraw/zinc/09/24/88/646092488.db2.gz DTFJLYTWIHTOAC-GHMZBOCLSA-N 2 1 239.388 2.136 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]C2[C@@H](C)CC[C@@H]2C)C1 ZINC000924706234 646092592 /nfs/dbraw/zinc/09/25/92/646092592.db2.gz PCLATHIVVHKISM-RWMBFGLXSA-N 2 1 224.392 2.352 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2[C@H](C)CC[C@@H]2C)C1 ZINC000924706233 646092671 /nfs/dbraw/zinc/09/26/71/646092671.db2.gz PCLATHIVVHKISM-RQJABVFESA-N 2 1 224.392 2.352 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]C2[C@H](C)CC[C@H]2C)C1 ZINC000924706231 646094083 /nfs/dbraw/zinc/09/40/83/646094083.db2.gz PCLATHIVVHKISM-JHJVBQTASA-N 2 1 224.392 2.352 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CC(SC)C2)C1 ZINC000924863349 646122192 /nfs/dbraw/zinc/12/21/92/646122192.db2.gz WJXPWNICOHIMKT-HIFPTAJRSA-N 2 1 242.432 2.202 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000924955006 646141992 /nfs/dbraw/zinc/14/19/92/646141992.db2.gz MPZOCWADNKUKAA-KBPBESRZSA-N 2 1 249.402 2.333 20 0 BEADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2nccs2)C1 ZINC000925487813 646298643 /nfs/dbraw/zinc/29/86/43/646298643.db2.gz XJPOKOFFRHKMLM-NXEZZACHSA-N 2 1 239.388 2.139 20 0 BEADMP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2nccs2)C1 ZINC000925487815 646299590 /nfs/dbraw/zinc/29/95/90/646299590.db2.gz XJPOKOFFRHKMLM-UWVGGRQHSA-N 2 1 239.388 2.139 20 0 BEADMP Fc1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925488776 646300279 /nfs/dbraw/zinc/30/02/79/646300279.db2.gz LGJINMXGGBZKQG-CQSZACIVSA-N 2 1 248.345 2.242 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000929783373 646312882 /nfs/dbraw/zinc/31/28/82/646312882.db2.gz PYFLYORFLATQHM-MQYQWHSLSA-N 2 1 224.392 2.447 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000929783373 646312885 /nfs/dbraw/zinc/31/28/85/646312885.db2.gz PYFLYORFLATQHM-MQYQWHSLSA-N 2 1 224.392 2.447 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000929783373 646312888 /nfs/dbraw/zinc/31/28/88/646312888.db2.gz PYFLYORFLATQHM-MQYQWHSLSA-N 2 1 224.392 2.447 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000929783373 646312892 /nfs/dbraw/zinc/31/28/92/646312892.db2.gz PYFLYORFLATQHM-MQYQWHSLSA-N 2 1 224.392 2.447 20 0 BEADMP CCO[C@H](CC[NH2+][C@H]1CCC[NH2+][C@@H]1C)C(C)C ZINC000925525547 646316518 /nfs/dbraw/zinc/31/65/18/646316518.db2.gz DACPRFZOXPYGMT-HZSPNIEDSA-N 2 1 242.407 2.168 20 0 BEADMP CCO[C@H](CC[NH2+][C@@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000925525459 646316631 /nfs/dbraw/zinc/31/66/31/646316631.db2.gz DACPRFZOXPYGMT-BFHYXJOUSA-N 2 1 242.407 2.168 20 0 BEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000925533733 646320031 /nfs/dbraw/zinc/32/00/31/646320031.db2.gz OYHPIUOCXOODRJ-CQSZACIVSA-N 2 1 244.382 2.448 20 0 BEADMP C[C@H]([NH3+])[C@@H]([NH2+]CC1CCOCC1)c1ccccc1 ZINC000925546366 646326340 /nfs/dbraw/zinc/32/63/40/646326340.db2.gz KHXIZYULRAQXMP-SWLSCSKDSA-N 2 1 248.370 2.091 20 0 BEADMP CC(C)[N@@H+](C)CCN[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925560614 646335882 /nfs/dbraw/zinc/33/58/82/646335882.db2.gz WTBKTMLJXGEJFE-UKRRQHHQSA-N 2 1 249.402 2.005 20 0 BEADMP COCCCC[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925560564 646336547 /nfs/dbraw/zinc/33/65/47/646336547.db2.gz ZMNGFUMBILEYAQ-GXTWGEPZSA-N 2 1 236.359 2.091 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000925572747 646339417 /nfs/dbraw/zinc/33/94/17/646339417.db2.gz NSFSRNITODYXPZ-QCEMKRCNSA-N 2 1 244.382 2.348 20 0 BEADMP CC(C)(C)SCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925585423 646347314 /nfs/dbraw/zinc/34/73/14/646347314.db2.gz USKIRHMDEHQMQL-SNVBAGLBSA-N 2 1 230.421 2.248 20 0 BEADMP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925604626 646354379 /nfs/dbraw/zinc/35/43/79/646354379.db2.gz LXUJLDWEPPZIFE-WOPDTQHZSA-N 2 1 208.349 2.049 20 0 BEADMP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925603459 646355788 /nfs/dbraw/zinc/35/57/88/646355788.db2.gz BYHCUWYJQDXFNX-AGIUHOORSA-N 2 1 222.376 2.439 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000929847671 646359559 /nfs/dbraw/zinc/35/95/59/646359559.db2.gz NAJZWNJBDDSNHV-QPSCCSFWSA-N 2 1 236.403 2.449 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000929847671 646359561 /nfs/dbraw/zinc/35/95/61/646359561.db2.gz NAJZWNJBDDSNHV-QPSCCSFWSA-N 2 1 236.403 2.449 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000929847671 646359562 /nfs/dbraw/zinc/35/95/62/646359562.db2.gz NAJZWNJBDDSNHV-QPSCCSFWSA-N 2 1 236.403 2.449 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCc1cccs1 ZINC000925629279 646373907 /nfs/dbraw/zinc/37/39/07/646373907.db2.gz IKDOCQZAKYUZPX-YPMHNXCESA-N 2 1 238.400 2.411 20 0 BEADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1cncc(F)c1 ZINC000925635931 646380336 /nfs/dbraw/zinc/38/03/36/646380336.db2.gz VCTNIFGMZRJYAL-XDTLVQLUSA-N 2 1 249.333 2.141 20 0 BEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000925651479 646392616 /nfs/dbraw/zinc/39/26/16/646392616.db2.gz DGYWOMVWZAJFQP-WDEREUQCSA-N 2 1 208.349 2.049 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000925656863 646394527 /nfs/dbraw/zinc/39/45/27/646394527.db2.gz QBEZWZBPIRYUCL-HBNTYKKESA-N 2 1 232.318 2.152 20 0 BEADMP CC(C)SCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925670428 646401356 /nfs/dbraw/zinc/40/13/56/646401356.db2.gz KKPWMLSSJHRLBL-LLVKDONJSA-N 2 1 228.405 2.002 20 0 BEADMP CC(C)SCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925672189 646402922 /nfs/dbraw/zinc/40/29/22/646402922.db2.gz TZAVHEKCSMJXMM-LBPRGKRZSA-N 2 1 242.432 2.392 20 0 BEADMP COCC(C)(C)CCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925673667 646403545 /nfs/dbraw/zinc/40/35/45/646403545.db2.gz NXENTNTUHQFPMD-STQMWFEESA-N 2 1 242.407 2.169 20 0 BEADMP CC(F)(F)CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925680835 646408382 /nfs/dbraw/zinc/40/83/82/646408382.db2.gz QUSZLQLEVQLUCK-SNVBAGLBSA-N 2 1 232.318 2.296 20 0 BEADMP C[C@@H]([NH3+])[C@H]([NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000925681301 646409393 /nfs/dbraw/zinc/40/93/93/646409393.db2.gz NIHVXGZXLXPHQL-GYSYKLTISA-N 2 1 218.344 2.463 20 0 BEADMP CC[NH2+]CCCN[C@H](CCC[NH3+])c1ccccc1 ZINC000925688243 646415231 /nfs/dbraw/zinc/41/52/31/646415231.db2.gz CFFFUQMCONLLQQ-OAHLLOKOSA-N 2 1 249.402 2.056 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925693108 646418626 /nfs/dbraw/zinc/41/86/26/646418626.db2.gz LLHSZFFKGBNLRB-JHJVBQTASA-N 2 1 222.376 2.295 20 0 BEADMP CC(C)[C@H]([NH3+])CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925694250 646419809 /nfs/dbraw/zinc/41/98/09/646419809.db2.gz RMJOVGIIRFCWRO-CABCVRRESA-N 2 1 249.402 2.040 20 0 BEADMP CC(C)[C@@H]([NH3+])CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925694252 646420073 /nfs/dbraw/zinc/42/00/73/646420073.db2.gz RMJOVGIIRFCWRO-GJZGRUSLSA-N 2 1 249.402 2.040 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1CCC(F)CC1 ZINC000925705198 646428682 /nfs/dbraw/zinc/42/86/82/646428682.db2.gz AFKPSNYUZBNXTC-YWPUVAFDSA-N 2 1 228.355 2.245 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000925708335 646432349 /nfs/dbraw/zinc/43/23/49/646432349.db2.gz SIIAZEBTZGVTED-AEJSXWLSSA-N 2 1 232.318 2.008 20 0 BEADMP CC(C)(F)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925724818 646449917 /nfs/dbraw/zinc/44/99/17/646449917.db2.gz NIBZCGUTBVRNBS-OUAUKWLOSA-N 2 1 228.355 2.101 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000925732826 646455502 /nfs/dbraw/zinc/45/55/02/646455502.db2.gz DJZVCPJXQHOLJY-DGCLKSJQSA-N 2 1 222.376 2.154 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000925732829 646456933 /nfs/dbraw/zinc/45/69/33/646456933.db2.gz DJZVCPJXQHOLJY-YPMHNXCESA-N 2 1 222.376 2.154 20 0 BEADMP C[C@@H]([NH2+]Cc1cscc1Cl)[C@H]1CC[NH2+]C1 ZINC000925769431 646466182 /nfs/dbraw/zinc/46/61/82/646466182.db2.gz CRDUXSNVNOPAAZ-BDAKNGLRSA-N 2 1 244.791 2.489 20 0 BEADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000925774060 646474053 /nfs/dbraw/zinc/47/40/53/646474053.db2.gz REUOIMGFXHXUII-AAEUAGOBSA-N 2 1 249.358 2.159 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)CCS1 ZINC000925855534 646511034 /nfs/dbraw/zinc/51/10/34/646511034.db2.gz CQBYPLJGHDSAMS-DDHJBXDOSA-N 2 1 228.405 2.001 20 0 BEADMP CC(C)C1(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396703515 711703380 /nfs/dbraw/zinc/70/33/80/711703380.db2.gz LUUKNPROTGXGES-VXGBXAGGSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)CC(F)(F)F ZINC000397010450 711704697 /nfs/dbraw/zinc/70/46/97/711704697.db2.gz MTRDHGWNGRHBLO-LPEHRKFASA-N 2 1 238.297 2.305 20 0 BEADMP C[N@@H+](CCC1CC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000703797789 712087603 /nfs/dbraw/zinc/08/76/03/712087603.db2.gz VKXOAKMVATWTAN-AGUYFDCRSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000706457204 712145107 /nfs/dbraw/zinc/14/51/07/712145107.db2.gz UKENNZSHKZRQLD-LSPKCERGSA-N 2 1 222.376 2.390 20 0 BEADMP [NH3+]CCCCCCC[N@H+]1CC[C@]2(CCOC2)C1 ZINC000707211403 712167284 /nfs/dbraw/zinc/16/72/84/712167284.db2.gz BBQPYMWXJUBVEV-AWEZNQCLSA-N 2 1 240.391 2.008 20 0 BEADMP C=C/C=C/CC[N@H+]1CCCC[C@H]1C[NH2+]C ZINC000713731261 712470636 /nfs/dbraw/zinc/47/06/36/712470636.db2.gz FBKQLZXXRZCHFR-IHVVCDCBSA-N 2 1 208.349 2.193 20 0 BEADMP C=C/C=C/CC[N@@H+]1CCCC[C@H]1C[NH2+]C ZINC000713731261 712470637 /nfs/dbraw/zinc/47/06/37/712470637.db2.gz FBKQLZXXRZCHFR-IHVVCDCBSA-N 2 1 208.349 2.193 20 0 BEADMP C=C/C=C/CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000713742571 712471093 /nfs/dbraw/zinc/47/10/93/712471093.db2.gz ZIKRLWPUKSLLTE-LSMGEYOZSA-N 2 1 220.360 2.335 20 0 BEADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000714375223 712484360 /nfs/dbraw/zinc/48/43/60/712484360.db2.gz SEHQGDIAUYSEIS-TZMCWYRMSA-N 2 1 240.391 2.005 20 0 BEADMP CC1(C)CCC[C@@H](C[N@H+]2CC[C@H](CC[NH3+])C2)O1 ZINC000714339381 712483032 /nfs/dbraw/zinc/48/30/32/712483032.db2.gz SHVLJHFDPXOIEG-STQMWFEESA-N 2 1 240.391 2.005 20 0 BEADMP C[N@@H+](C[C@@H]1CCCC(C)(C)O1)C1CC[NH2+]CC1 ZINC000714374257 712484381 /nfs/dbraw/zinc/48/43/81/712484381.db2.gz HMRRHXYLSGQGMW-ZDUSSCGKSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714921315 712499622 /nfs/dbraw/zinc/49/96/22/712499622.db2.gz XMOYPQTVRBELLB-ZRJCITRHSA-N 2 1 222.376 2.092 20 0 BEADMP C(CC1CC1)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000714998311 712503324 /nfs/dbraw/zinc/50/33/24/712503324.db2.gz FYCLRGAEUKYYSV-ZIAGYGMSSA-N 2 1 222.376 2.251 20 0 BEADMP C(CC1CC1)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000714998311 712503325 /nfs/dbraw/zinc/50/33/25/712503325.db2.gz FYCLRGAEUKYYSV-ZIAGYGMSSA-N 2 1 222.376 2.251 20 0 BEADMP Cc1cccc([C@H](C)[N@@H+](C)C[C@@H](C)[NH3+])c1 ZINC000379828457 712615086 /nfs/dbraw/zinc/61/50/86/712615086.db2.gz YFUCUTXYNNWMBK-NEPJUHHUSA-N 2 1 206.333 2.335 20 0 BEADMP Cc1cccc([C@H](C)[N@H+](C)C[C@@H](C)[NH3+])c1 ZINC000379828457 712615087 /nfs/dbraw/zinc/61/50/87/712615087.db2.gz YFUCUTXYNNWMBK-NEPJUHHUSA-N 2 1 206.333 2.335 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000037485282 712650710 /nfs/dbraw/zinc/65/07/10/712650710.db2.gz PMMGYGRRPBRKBX-GXTWGEPZSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)C(C)C ZINC000037484318 712650861 /nfs/dbraw/zinc/65/08/61/712650861.db2.gz VKYVUPSRQKSDCK-OLZOCXBDSA-N 2 1 212.381 2.352 20 0 BEADMP CCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000389566978 712689521 /nfs/dbraw/zinc/68/95/21/712689521.db2.gz AINDVNALZLHTGO-QWHCGFSZSA-N 2 1 210.365 2.251 20 0 BEADMP CSCC[C@H](C)[N@H+](C)C[C@H]([NH3+])CC(F)F ZINC000389676460 712689858 /nfs/dbraw/zinc/68/98/58/712689858.db2.gz CNOYPELEAQNNAW-DTWKUNHWSA-N 2 1 240.363 2.042 20 0 BEADMP CSCC[C@H](C)[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000389676460 712689859 /nfs/dbraw/zinc/68/98/59/712689859.db2.gz CNOYPELEAQNNAW-DTWKUNHWSA-N 2 1 240.363 2.042 20 0 BEADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000718213347 712754313 /nfs/dbraw/zinc/75/43/13/712754313.db2.gz ALIHYBBTXKWMDS-HTQZYQBOSA-N 2 1 245.779 2.012 20 0 BEADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000718213359 712754348 /nfs/dbraw/zinc/75/43/48/712754348.db2.gz ALIHYBBTXKWMDS-YUMQZZPRSA-N 2 1 245.779 2.012 20 0 BEADMP CC(F)(F)CCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000718571341 712774939 /nfs/dbraw/zinc/77/49/39/712774939.db2.gz MYEXYWJTICATEZ-WDEREUQCSA-N 2 1 232.318 2.106 20 0 BEADMP CC(F)(F)CCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000718571341 712774940 /nfs/dbraw/zinc/77/49/40/712774940.db2.gz MYEXYWJTICATEZ-WDEREUQCSA-N 2 1 232.318 2.106 20 0 BEADMP C[C@@H]1CC[N@@H+](CCCC(C)(F)F)C[C@H]1C[NH3+] ZINC000718570261 712775188 /nfs/dbraw/zinc/77/51/88/712775188.db2.gz JJFKHMLOJIXFSL-GHMZBOCLSA-N 2 1 234.334 2.339 20 0 BEADMP CCCCCC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000720902206 712875938 /nfs/dbraw/zinc/87/59/38/712875938.db2.gz DVRFOCVNVHJZCV-QWHCGFSZSA-N 2 1 210.365 2.393 20 0 BEADMP CCCCCC[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000720902206 712875939 /nfs/dbraw/zinc/87/59/39/712875939.db2.gz DVRFOCVNVHJZCV-QWHCGFSZSA-N 2 1 210.365 2.393 20 0 BEADMP C(C1CCCC1)[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000720905517 712876450 /nfs/dbraw/zinc/87/64/50/712876450.db2.gz ZFBLURCNELDSJW-QWHCGFSZSA-N 2 1 208.349 2.003 20 0 BEADMP C(C1CCCC1)[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000720905517 712876452 /nfs/dbraw/zinc/87/64/52/712876452.db2.gz ZFBLURCNELDSJW-QWHCGFSZSA-N 2 1 208.349 2.003 20 0 BEADMP C[C@@H](C[NH2+]Cc1ccc(Cl)nc1)C[NH+](C)C ZINC000381120519 710603145 /nfs/dbraw/zinc/60/31/45/710603145.db2.gz ILYRWWHRLKRBAJ-JTQLQIEISA-N 2 1 241.766 2.022 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000382099356 710776633 /nfs/dbraw/zinc/77/66/33/710776633.db2.gz BEMFWOOQCJTESA-CHWSQXEVSA-N 2 1 242.432 2.204 20 0 BEADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000383994983 710987449 /nfs/dbraw/zinc/98/74/49/710987449.db2.gz AATPGSLGIGAVAH-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP [NH3+][C@H](C[NH2+]C1CCCCCC1)CC(F)F ZINC000389744031 711088224 /nfs/dbraw/zinc/08/82/24/711088224.db2.gz WSVDHROFQFUWRO-VIFPVBQESA-N 2 1 220.307 2.281 20 0 BEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCCC2CC2)C1 ZINC000394493378 711193390 /nfs/dbraw/zinc/19/33/90/711193390.db2.gz LRVFNSOINNWDTL-ZDUSSCGKSA-N 2 1 210.365 2.237 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H]1C ZINC000393604696 711165355 /nfs/dbraw/zinc/16/53/55/711165355.db2.gz CHSCZDAYULEIEB-AVGNSLFASA-N 2 1 210.365 2.249 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H]1C ZINC000393604696 711165357 /nfs/dbraw/zinc/16/53/57/711165357.db2.gz CHSCZDAYULEIEB-AVGNSLFASA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000396596492 711354614 /nfs/dbraw/zinc/35/46/14/711354614.db2.gz FOHWFRNSAWKEFG-DGCLKSJQSA-N 2 1 222.376 2.297 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000396644422 711358029 /nfs/dbraw/zinc/35/80/29/711358029.db2.gz BVFVVPSUNLZGTG-XQQFMLRXSA-N 2 1 208.349 2.073 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000396596489 711359044 /nfs/dbraw/zinc/35/90/44/711359044.db2.gz FOHWFRNSAWKEFG-AAEUAGOBSA-N 2 1 222.376 2.297 20 0 BEADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000399143539 711421967 /nfs/dbraw/zinc/42/19/67/711421967.db2.gz CNVXJPQJMMCOLJ-KXUCPTDWSA-N 2 1 220.307 2.089 20 0 BEADMP CSCC[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000381298681 710618724 /nfs/dbraw/zinc/61/87/24/710618724.db2.gz BPIIXEPGMIPQBS-LLVKDONJSA-N 2 1 242.432 2.344 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]1C ZINC000389844913 711090266 /nfs/dbraw/zinc/09/02/66/711090266.db2.gz MNTPQYDAEIMLRD-YNEHKIRRSA-N 2 1 212.381 2.495 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]1C ZINC000389844913 711090270 /nfs/dbraw/zinc/09/02/70/711090270.db2.gz MNTPQYDAEIMLRD-YNEHKIRRSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396662556 711362452 /nfs/dbraw/zinc/36/24/52/711362452.db2.gz OKANJBCXBRHBHB-FDYHWXHSSA-N 2 1 210.365 2.295 20 0 BEADMP C[NH+]1CCC(CNc2ccc3c([nH+]2)CCC3)CC1 ZINC000134292853 711498291 /nfs/dbraw/zinc/49/82/91/711498291.db2.gz BOJKJMDLDWZDSM-UHFFFAOYSA-N 2 1 245.370 2.324 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000723081283 711501227 /nfs/dbraw/zinc/50/12/27/711501227.db2.gz UIEBQOGSYPRRCZ-AGIUHOORSA-N 2 1 210.365 2.236 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)c(C)c1 ZINC000723669939 711532936 /nfs/dbraw/zinc/53/29/36/711532936.db2.gz MGMJJYWAOWCYTL-AWEZNQCLSA-N 2 1 232.371 2.474 20 0 BEADMP Cc1ccc(OCC[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000723670071 711533042 /nfs/dbraw/zinc/53/30/42/711533042.db2.gz OGHDATGOYFSPDC-AWEZNQCLSA-N 2 1 248.370 2.045 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2CCCC[C@H]2C)C[C@H]1C[NH3+] ZINC000723862701 711539724 /nfs/dbraw/zinc/53/97/24/711539724.db2.gz QSJAIXGKHHEXPK-AAVRWANBSA-N 2 1 224.392 2.339 20 0 BEADMP Cc1cc(C)nc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000723877629 711541802 /nfs/dbraw/zinc/54/18/02/711541802.db2.gz XDTPCUYTHGCNKI-CHWSQXEVSA-N 2 1 233.359 2.010 20 0 BEADMP Cc1cc(C)nc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000723877629 711541805 /nfs/dbraw/zinc/54/18/05/711541805.db2.gz XDTPCUYTHGCNKI-CHWSQXEVSA-N 2 1 233.359 2.010 20 0 BEADMP CCC[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723900626 711544293 /nfs/dbraw/zinc/54/42/93/711544293.db2.gz KWZRJIUGWUSWIZ-JHJVBQTASA-N 2 1 212.381 2.339 20 0 BEADMP C[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1CC[NH3+] ZINC000723908825 711544801 /nfs/dbraw/zinc/54/48/01/711544801.db2.gz KRYYXULXQQUDGN-UKRRQHHQSA-N 2 1 232.371 2.146 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCC1CC=CC1 ZINC000724130639 711563885 /nfs/dbraw/zinc/56/38/85/711563885.db2.gz IWHIFOKWKFIZDN-AAEUAGOBSA-N 2 1 208.349 2.073 20 0 BEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000925518802 711695938 /nfs/dbraw/zinc/69/59/38/711695938.db2.gz KGHBHWUIJVJFMW-CYBMUJFWSA-N 2 1 236.334 2.098 20 0 BEADMP C[N@@H+](CCCC1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000394603599 711707281 /nfs/dbraw/zinc/70/72/81/711707281.db2.gz JNUUWZUTOPTNQP-PBWFPOADSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CCC=CCC1 ZINC000925880240 711761870 /nfs/dbraw/zinc/76/18/70/711761870.db2.gz HOUWTKHTYMHFIC-JSGCOSHPSA-N 2 1 222.376 2.320 20 0 BEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCc2cccs2)C1 ZINC000069724374 711893579 /nfs/dbraw/zinc/89/35/79/711893579.db2.gz UXCIXTVAACPFQC-LBPRGKRZSA-N 2 1 238.400 2.351 20 0 BEADMP CC[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000700240000 711988192 /nfs/dbraw/zinc/98/81/92/711988192.db2.gz ZLVFKYMPDKSVLD-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000700256312 711988719 /nfs/dbraw/zinc/98/87/19/711988719.db2.gz GADDYEBBHZIUJL-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cn1 ZINC000700816707 712007537 /nfs/dbraw/zinc/00/75/37/712007537.db2.gz MUKNSLRXMKRPAY-HNNXBMFYSA-N 2 1 247.386 2.212 20 0 BEADMP Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cn1 ZINC000700816707 712007539 /nfs/dbraw/zinc/00/75/39/712007539.db2.gz MUKNSLRXMKRPAY-HNNXBMFYSA-N 2 1 247.386 2.212 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC000702008775 712036827 /nfs/dbraw/zinc/03/68/27/712036827.db2.gz VXIFKFRMZGZRHN-JQWIXIFHSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCC1CCCC1)C2 ZINC000702049215 712037595 /nfs/dbraw/zinc/03/75/95/712037595.db2.gz NCEXTLYERWUANT-UONOGXRCSA-N 2 1 222.376 2.108 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000702076778 712038130 /nfs/dbraw/zinc/03/81/30/712038130.db2.gz MVRIKWFWDWIGGG-CBBWQLFWSA-N 2 1 236.403 2.354 20 0 BEADMP C[C@H](C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccccc1 ZINC000702092221 712038865 /nfs/dbraw/zinc/03/88/65/712038865.db2.gz CTBGCOUXGJEDIO-VNQPRFMTSA-N 2 1 244.382 2.331 20 0 BEADMP CCCCCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000705427763 712131466 /nfs/dbraw/zinc/13/14/66/712131466.db2.gz XGQQELFVIJMWER-KBPBESRZSA-N 2 1 242.407 2.002 20 0 BEADMP CCCCCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000705427763 712131467 /nfs/dbraw/zinc/13/14/67/712131467.db2.gz XGQQELFVIJMWER-KBPBESRZSA-N 2 1 242.407 2.002 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CC(SC)C2)C1 ZINC000706816283 712156356 /nfs/dbraw/zinc/15/63/56/712156356.db2.gz RRMSDNBDIIMBKN-HIFPTAJRSA-N 2 1 242.432 2.202 20 0 BEADMP CC[N@@H+](C[C@H]1CCCC[NH2+]C1)C1CCC1 ZINC000706816826 712156489 /nfs/dbraw/zinc/15/64/89/712156489.db2.gz HKCPHYICHHWDAU-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP CSC1CC([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000706885881 712158809 /nfs/dbraw/zinc/15/88/09/712158809.db2.gz PJGSNSNNUFIAPU-HIFPTAJRSA-N 2 1 242.432 2.202 20 0 BEADMP CSC1CC([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000706920671 712160981 /nfs/dbraw/zinc/16/09/81/712160981.db2.gz XJZQLFJWWPIFQW-HIFPTAJRSA-N 2 1 242.432 2.200 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H]1CC(C)(C)CO1 ZINC000708334751 712187970 /nfs/dbraw/zinc/18/79/70/712187970.db2.gz AHFNBHAANXHZAI-OLZOCXBDSA-N 2 1 242.407 2.107 20 0 BEADMP C[C@H](C[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1)CC(C)(C)C ZINC000709154261 712210394 /nfs/dbraw/zinc/21/03/94/712210394.db2.gz UXIOQEPYHHSUJC-AVGNSLFASA-N 2 1 242.407 2.107 20 0 BEADMP C[C@H](C[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1)CC(C)(C)C ZINC000709154261 712210396 /nfs/dbraw/zinc/21/03/96/712210396.db2.gz UXIOQEPYHHSUJC-AVGNSLFASA-N 2 1 242.407 2.107 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CC(C)(C)OC1(C)C ZINC000709698152 712216045 /nfs/dbraw/zinc/21/60/45/712216045.db2.gz YTUXCMXFSCHOCV-GFCCVEGCSA-N 2 1 242.407 2.121 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])CCc1cccnc1 ZINC000710706050 712255096 /nfs/dbraw/zinc/25/50/96/712255096.db2.gz QPYXQZHPQDIGTC-UHFFFAOYSA-N 2 1 235.375 2.075 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])CC[C@@H]1CCCO1 ZINC000710749258 712255891 /nfs/dbraw/zinc/25/58/91/712255891.db2.gz HXLSOYCHKAKRJS-ZDUSSCGKSA-N 2 1 228.380 2.006 20 0 BEADMP Cc1cnccc1C[N@@H+](C)CCCCCC[NH3+] ZINC000710818287 712257336 /nfs/dbraw/zinc/25/73/36/712257336.db2.gz FYXHXUTUEIFCRO-UHFFFAOYSA-N 2 1 235.375 2.341 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])C[C@H]1CC1(C)C ZINC000710800731 712257497 /nfs/dbraw/zinc/25/74/97/712257497.db2.gz XNNRWDHOSPTUAT-GFCCVEGCSA-N 2 1 212.381 2.483 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)C(C)(F)F ZINC000711245148 712291291 /nfs/dbraw/zinc/29/12/91/712291291.db2.gz JRDVKEQCLGZEKO-ZJUUUORDSA-N 2 1 234.334 2.398 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](CF)C2)CC[NH2+]1 ZINC000711463304 712304604 /nfs/dbraw/zinc/30/46/04/712304604.db2.gz VTLNKBUPHFJMJA-UPJWGTAASA-N 2 1 228.355 2.056 20 0 BEADMP C1=C[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000711719513 712319443 /nfs/dbraw/zinc/31/94/43/712319443.db2.gz NLZVNXMHPCJCER-IHRRRGAJSA-N 2 1 220.360 2.169 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CC[C@@H](CC[NH3+])C2)c(C)n1 ZINC000923478716 712334491 /nfs/dbraw/zinc/33/44/91/712334491.db2.gz HNYHODHMFVRNHE-CQSZACIVSA-N 2 1 247.386 2.178 20 0 BEADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713136126 712453244 /nfs/dbraw/zinc/45/32/44/712453244.db2.gz YKPSOLLDTFPIPT-BTTYYORXSA-N 2 1 234.387 2.251 20 0 BEADMP c1ccc(C[N@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000713205901 712454951 /nfs/dbraw/zinc/45/49/51/712454951.db2.gz ZLAXEWMGPHGCFH-UHFFFAOYSA-N 2 1 230.355 2.405 20 0 BEADMP C=C/C=C/CC[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000713700392 712469415 /nfs/dbraw/zinc/46/94/15/712469415.db2.gz AEDXMTZOFVOGJZ-PBJSTTKNSA-N 2 1 208.349 2.178 20 0 BEADMP C=C/C=C/CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000713691408 712469608 /nfs/dbraw/zinc/46/96/08/712469608.db2.gz BJJDWECBBMIAPC-FBVTZJDUSA-N 2 1 208.349 2.191 20 0 BEADMP C=C/C=C\CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000713742568 712470917 /nfs/dbraw/zinc/47/09/17/712470917.db2.gz ZIKRLWPUKSLLTE-JHZNUDOXSA-N 2 1 220.360 2.335 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)O2)CC[C@@H]1[NH3+] ZINC000714368280 712483762 /nfs/dbraw/zinc/48/37/62/712483762.db2.gz LXBMOZOZVGYZEX-AGIUHOORSA-N 2 1 240.391 2.003 20 0 BEADMP CCC1([NH3+])CC[NH+](Cc2cnccc2C)CC1 ZINC000714757408 712497961 /nfs/dbraw/zinc/49/79/61/712497961.db2.gz IDLJRTCWJNAGTQ-UHFFFAOYSA-N 2 1 233.359 2.093 20 0 BEADMP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)[C@@H]1C[C@H]1C1CC1 ZINC000714799338 712498236 /nfs/dbraw/zinc/49/82/36/712498236.db2.gz IXEIOVSDNMBPJN-WCVJEAGWSA-N 2 1 248.414 2.497 20 0 BEADMP C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)[C@@H]1C[C@H]1C1CC1 ZINC000714799338 712498238 /nfs/dbraw/zinc/49/82/38/712498238.db2.gz IXEIOVSDNMBPJN-WCVJEAGWSA-N 2 1 248.414 2.497 20 0 BEADMP C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)[C@@H]1C[C@H]1C1CC1 ZINC000714799335 712498445 /nfs/dbraw/zinc/49/84/45/712498445.db2.gz IXEIOVSDNMBPJN-UGUYLWEFSA-N 2 1 248.414 2.497 20 0 BEADMP C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)[C@@H]1C[C@H]1C1CC1 ZINC000714799335 712498446 /nfs/dbraw/zinc/49/84/46/712498446.db2.gz IXEIOVSDNMBPJN-UGUYLWEFSA-N 2 1 248.414 2.497 20 0 BEADMP C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)CC(C)(C)[NH3+] ZINC000714833272 712501450 /nfs/dbraw/zinc/50/14/50/712501450.db2.gz TWXIRYQAAOZTCN-NEPJUHHUSA-N 2 1 210.365 2.092 20 0 BEADMP C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)CC(C)(C)C[NH3+] ZINC000714848789 712502021 /nfs/dbraw/zinc/50/20/21/712502021.db2.gz HVIMUVNXFHDQSR-OLZOCXBDSA-N 2 1 224.392 2.339 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccns1 ZINC000716045892 712548059 /nfs/dbraw/zinc/54/80/59/712548059.db2.gz FFIGPHDYTHLILG-QWRGUYRKSA-N 2 1 239.388 2.136 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccns1 ZINC000716045892 712548060 /nfs/dbraw/zinc/54/80/60/712548060.db2.gz FFIGPHDYTHLILG-QWRGUYRKSA-N 2 1 239.388 2.136 20 0 BEADMP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000716585103 712564402 /nfs/dbraw/zinc/56/44/02/712564402.db2.gz RHPSWZASMPNWOJ-PMXAPFLYSA-N 2 1 236.403 2.351 20 0 BEADMP C[C@H]1CCCCC[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000379989580 712644522 /nfs/dbraw/zinc/64/45/22/712644522.db2.gz WTQUXDIAJIKJDA-VHSXEESVSA-N 2 1 220.307 2.233 20 0 BEADMP C[C@H]1CCCCC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000379989580 712644523 /nfs/dbraw/zinc/64/45/23/712644523.db2.gz WTQUXDIAJIKJDA-VHSXEESVSA-N 2 1 220.307 2.233 20 0 BEADMP C[C@@H]1CCCCC[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000379989581 712644563 /nfs/dbraw/zinc/64/45/63/712644563.db2.gz WTQUXDIAJIKJDA-ZJUUUORDSA-N 2 1 220.307 2.233 20 0 BEADMP C[C@@H]1CCCCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000379989581 712644564 /nfs/dbraw/zinc/64/45/64/712644564.db2.gz WTQUXDIAJIKJDA-ZJUUUORDSA-N 2 1 220.307 2.233 20 0 BEADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1ccccc1 ZINC000717307419 712646420 /nfs/dbraw/zinc/64/64/20/712646420.db2.gz MKNUVECSXAWZLO-GFCCVEGCSA-N 2 1 240.297 2.021 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]2C)C1 ZINC000379998804 712651677 /nfs/dbraw/zinc/65/16/77/712651677.db2.gz LIUIRKUBVWPABZ-YNEHKIRRSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@H](C[NH2+][C@@H]1CC[C@H]1C)[NH+]1CCCC1 ZINC000379999679 712651693 /nfs/dbraw/zinc/65/16/93/712651693.db2.gz LYDIHPXVSUMMQO-JHJVBQTASA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]C2CCC=CCC2)C1 ZINC000718019001 712736811 /nfs/dbraw/zinc/73/68/11/712736811.db2.gz MSKUSGFJCPIPNJ-YPMHNXCESA-N 2 1 208.349 2.073 20 0 BEADMP CC(F)(F)CCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000718569700 712774801 /nfs/dbraw/zinc/77/48/01/712774801.db2.gz GNWDQVKQDFBDLW-LBPRGKRZSA-N 2 1 232.318 2.107 20 0 BEADMP C[C@@H]1CC[N@@H+](CCCCCCC[NH3+])CCO1 ZINC000719780204 712824433 /nfs/dbraw/zinc/82/44/33/712824433.db2.gz VNUGHENREBEJGQ-CYBMUJFWSA-N 2 1 228.380 2.006 20 0 BEADMP Cc1cc(C)[nH+]c(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC001164631609 719151906 /nfs/dbraw/zinc/15/19/06/719151906.db2.gz NZGZRMVTMDNIGN-OLZOCXBDSA-N 2 1 233.359 2.227 20 0 BEADMP Cc1cc(C)[nH+]c(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC001164631609 719151909 /nfs/dbraw/zinc/15/19/09/719151909.db2.gz NZGZRMVTMDNIGN-OLZOCXBDSA-N 2 1 233.359 2.227 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)C1 ZINC001208603363 957085526 /nfs/dbraw/zinc/08/55/26/957085526.db2.gz BYPRICAZJBJWSX-MCIONIFRSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@@H]3CCC[C@@H]3C2)C1 ZINC001208603363 957085542 /nfs/dbraw/zinc/08/55/42/957085542.db2.gz BYPRICAZJBJWSX-MCIONIFRSA-N 2 1 222.376 2.060 20 0 BEADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)C1CC(F)(F)C1 ZINC001208603614 957093192 /nfs/dbraw/zinc/09/31/92/957093192.db2.gz FXYBHFNKMDDZPC-JTQLQIEISA-N 2 1 232.318 2.058 20 0 BEADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)C1CC(F)(F)C1 ZINC001208603614 957093202 /nfs/dbraw/zinc/09/32/02/957093202.db2.gz FXYBHFNKMDDZPC-JTQLQIEISA-N 2 1 232.318 2.058 20 0 BEADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)C1CC(F)(F)C1 ZINC001208603614 957093218 /nfs/dbraw/zinc/09/32/18/957093218.db2.gz FXYBHFNKMDDZPC-JTQLQIEISA-N 2 1 232.318 2.058 20 0 BEADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)C1CC(F)(F)C1 ZINC001208603614 957093231 /nfs/dbraw/zinc/09/32/31/957093231.db2.gz FXYBHFNKMDDZPC-JTQLQIEISA-N 2 1 232.318 2.058 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC3(CC3)CC2)C1 ZINC001208605995 957095676 /nfs/dbraw/zinc/09/56/76/957095676.db2.gz CVIXUUSBXIUBTH-CYBMUJFWSA-N 2 1 222.376 2.204 20 0 BEADMP CCOC1CCC([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000707371537 958479793 /nfs/dbraw/zinc/47/97/93/958479793.db2.gz PAYRVMQBJHMSQR-RJZJGCCBSA-N 2 1 240.391 2.064 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)[C@@H]1CCCC[C@H]1C ZINC000300356697 959378104 /nfs/dbraw/zinc/37/81/04/959378104.db2.gz OCIMHMAJFFCUSX-YIYPIFLZSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@H]1CCC[N@@H+](CCNc2cc[nH+]cc2)C1 ZINC000309803136 960128434 /nfs/dbraw/zinc/12/84/34/960128434.db2.gz ROBHYPTUJPTMTE-LBPRGKRZSA-N 2 1 219.332 2.225 20 0 BEADMP C[C@H]1C[C@@H]([N@@H+](CC2CC2)C2CC2)CC[NH2+]1 ZINC000709465052 960608852 /nfs/dbraw/zinc/60/88/52/960608852.db2.gz NTKHILQHDOVNNL-GWCFXTLKSA-N 2 1 208.349 2.001 20 0 BEADMP CC[C@@H](Cc1cccs1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925785104 961166279 /nfs/dbraw/zinc/16/62/79/961166279.db2.gz JECVWFQCTCUJCY-NTZNESFSSA-N 2 1 238.400 2.267 20 0 BEADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(Cl)o2)C1 ZINC001206640907 962273690 /nfs/dbraw/zinc/27/36/90/962273690.db2.gz OUSKNJHJCOSAFU-JTQLQIEISA-N 2 1 242.750 2.494 20 0 BEADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC001206640907 962273703 /nfs/dbraw/zinc/27/37/03/962273703.db2.gz OUSKNJHJCOSAFU-JTQLQIEISA-N 2 1 242.750 2.494 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)C1 ZINC000710448753 962382769 /nfs/dbraw/zinc/38/27/69/962382769.db2.gz ZTNXAKBDJYQRAY-UPJWGTAASA-N 2 1 210.365 2.249 20 0 BEADMP CC[N@@H+](C1CC1)C1CC[NH+](CC2CC2)CC1 ZINC001168371532 964939583 /nfs/dbraw/zinc/93/95/83/964939583.db2.gz NVRAJGZJXJIVTP-UHFFFAOYSA-N 2 1 222.376 2.345 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]CC3(C)CCC3)[C@@H]2C1 ZINC001204089353 966889316 /nfs/dbraw/zinc/88/93/16/966889316.db2.gz MGVNUHXCBGEYHC-YNEHKIRRSA-N 2 1 222.376 2.106 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CC[C@@](C)([NH3+])C2)CC1 ZINC001204762771 967152207 /nfs/dbraw/zinc/15/22/07/967152207.db2.gz DFNNKZOISLXKRU-BFHYXJOUSA-N 2 1 222.376 2.402 20 0 BEADMP CCCCCC[C@H](C)[N@H+](C)CC[NH2+]C ZINC000069801121 1165905807 /nfs/dbraw/zinc/90/58/07/1165905807.db2.gz KDHQDILJFMINHG-LBPRGKRZSA-N 2 1 200.370 2.497 20 0 BEADMP CCCCCC[C@H](C)[N@@H+](C)CC[NH2+]C ZINC000069801121 1165905812 /nfs/dbraw/zinc/90/58/12/1165905812.db2.gz KDHQDILJFMINHG-LBPRGKRZSA-N 2 1 200.370 2.497 20 0 BEADMP C[N@H+]1CC[C@H](C[NH2+]C2CCC(C)(C)CC2)C1 ZINC000070623086 1165938906 /nfs/dbraw/zinc/93/89/06/1165938906.db2.gz BCYVNKREUTVDAG-GFCCVEGCSA-N 2 1 224.392 2.497 20 0 BEADMP CC1CC([NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC000389566931 1166031939 /nfs/dbraw/zinc/03/19/39/1166031939.db2.gz ABYHRDJLDTZVOC-FIYWTHMPSA-N 2 1 210.365 2.247 20 0 BEADMP CCCO[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207284152 968719086 /nfs/dbraw/zinc/71/90/86/968719086.db2.gz KJPLWPKZLNPCOL-CYBMUJFWSA-N 2 1 242.407 2.075 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](F)CC2)CC1 ZINC001207392366 968752641 /nfs/dbraw/zinc/75/26/41/968752641.db2.gz ZZXLLFLMQHBXAP-ZDUSSCGKSA-N 2 1 228.355 2.152 20 0 BEADMP CCC[C@@H](C)[N@@H+](C)C[C@@H](C[NH3+])C(C)C ZINC000083607068 1166113515 /nfs/dbraw/zinc/11/35/15/1166113515.db2.gz RLLBTDJMDAJQOX-VXGBXAGGSA-N 2 1 200.370 2.338 20 0 BEADMP COCC[N@@H+](CCC1CC[NH+](C)CC1)C(C)C ZINC001207485599 968797534 /nfs/dbraw/zinc/79/75/34/968797534.db2.gz XXKRMLPDAQOZSF-UHFFFAOYSA-N 2 1 242.407 2.075 20 0 BEADMP Cc1cc(C)nc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000723877361 1166147124 /nfs/dbraw/zinc/14/71/24/1166147124.db2.gz TXKJBHIIYJTLGV-OCCSQVGLSA-N 2 1 247.386 2.115 20 0 BEADMP Cc1ccccc1CC[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000399148615 1166158095 /nfs/dbraw/zinc/15/80/95/1166158095.db2.gz YCRAIAGEWOSNAA-DZGCQCFKSA-N 2 1 232.371 2.268 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]CCc2ccccc2F)C[NH2+]1 ZINC000399203736 1166171192 /nfs/dbraw/zinc/17/11/92/1166171192.db2.gz UYZJLSPEIGSIEN-AAEUAGOBSA-N 2 1 236.334 2.098 20 0 BEADMP CC[N@@H+](CC1(C)CC[NH+](C)CC1)C(C)C ZINC001208105000 968999775 /nfs/dbraw/zinc/99/97/75/968999775.db2.gz QJOZPJIJUDLINS-UHFFFAOYSA-N 2 1 212.381 2.449 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2C=CCCC2)CC1 ZINC000132308062 1166195455 /nfs/dbraw/zinc/19/54/55/1166195455.db2.gz CRWBLMDXMHNSID-GFCCVEGCSA-N 2 1 208.349 2.169 20 0 BEADMP C[C@@H]([NH3+])c1cccc(C2=CCC[N@@H+](C)C2)c1 ZINC001241570825 969068251 /nfs/dbraw/zinc/06/82/51/969068251.db2.gz OCEPQELISFDSRF-LLVKDONJSA-N 2 1 216.328 2.425 20 0 BEADMP CSCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000228873558 1166223716 /nfs/dbraw/zinc/22/37/16/1166223716.db2.gz MUPGEYUWBCQWLZ-NWDGAFQWSA-N 2 1 230.421 2.059 20 0 BEADMP c1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cs1 ZINC000250177008 1166228005 /nfs/dbraw/zinc/22/80/05/1166228005.db2.gz ORVRUOUSCYOYQW-STQMWFEESA-N 2 1 236.384 2.322 20 0 BEADMP c1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cs1 ZINC000250177008 1166228009 /nfs/dbraw/zinc/22/80/09/1166228009.db2.gz ORVRUOUSCYOYQW-STQMWFEESA-N 2 1 236.384 2.322 20 0 BEADMP C([C@@H]1CCC[NH2+]1)[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000227648611 1166239194 /nfs/dbraw/zinc/23/91/94/1166239194.db2.gz DBZSIGILGQEISC-MCIONIFRSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@H]1C[N@@H+](C[C@@H]2CCC[NH+](C)C2)CCC1(F)F ZINC001208609273 969149151 /nfs/dbraw/zinc/14/91/51/969149151.db2.gz ZYJZLEJZRJHNIO-NWDGAFQWSA-N 2 1 246.345 2.305 20 0 BEADMP C[C@H]1C[NH+](C[C@@H]2CCC[N@H+](C)C2)CCC1(F)F ZINC001208609273 969149160 /nfs/dbraw/zinc/14/91/60/969149160.db2.gz ZYJZLEJZRJHNIO-NWDGAFQWSA-N 2 1 246.345 2.305 20 0 BEADMP C[C@H]1C[NH+](C[C@@H]2CCC[N@@H+](C)C2)CCC1(F)F ZINC001208609273 969149161 /nfs/dbraw/zinc/14/91/61/969149161.db2.gz ZYJZLEJZRJHNIO-NWDGAFQWSA-N 2 1 246.345 2.305 20 0 BEADMP CCC[N@@H+](CC)CC1CC[NH+](CC)CC1 ZINC001208593656 969149961 /nfs/dbraw/zinc/14/99/61/969149961.db2.gz IFQSVZRBLGYCNU-UHFFFAOYSA-N 2 1 212.381 2.450 20 0 BEADMP CC(C)[NH+](C[C@H]1CCC[N@H+](C)C1)C(C)C ZINC001208605145 969154765 /nfs/dbraw/zinc/15/47/65/969154765.db2.gz ZSYPTOHQHMKTTO-ZDUSSCGKSA-N 2 1 212.381 2.447 20 0 BEADMP CC(C)[NH+](C[C@H]1CCC[N@@H+](C)C1)C(C)C ZINC001208605145 969154772 /nfs/dbraw/zinc/15/47/72/969154772.db2.gz ZSYPTOHQHMKTTO-ZDUSSCGKSA-N 2 1 212.381 2.447 20 0 BEADMP C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H](F)C2)C1 ZINC001208606493 969158501 /nfs/dbraw/zinc/15/85/01/969158501.db2.gz HBDNGYRIMIVKMC-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCCC2(C)C)C1 ZINC001208604815 969158822 /nfs/dbraw/zinc/15/88/22/969158822.db2.gz WNEFFLCCUDKSRD-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCCC2(C)C)C1 ZINC001208604815 969158831 /nfs/dbraw/zinc/15/88/31/969158831.db2.gz WNEFFLCCUDKSRD-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCCC2(C)C)C1 ZINC001208604815 969158840 /nfs/dbraw/zinc/15/88/40/969158840.db2.gz WNEFFLCCUDKSRD-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@H+]2CCCC2(C)C)C1 ZINC001208604815 969158846 /nfs/dbraw/zinc/15/88/46/969158846.db2.gz WNEFFLCCUDKSRD-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC23CCCC3)C1 ZINC001208608640 969165848 /nfs/dbraw/zinc/16/58/48/969165848.db2.gz VPGGGRZKQSYFKT-ZDUSSCGKSA-N 2 1 222.376 2.347 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CCC23CCCC3)C1 ZINC001208608640 969165849 /nfs/dbraw/zinc/16/58/49/969165849.db2.gz VPGGGRZKQSYFKT-ZDUSSCGKSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC23CCCC3)C1 ZINC001208608640 969165854 /nfs/dbraw/zinc/16/58/54/969165854.db2.gz VPGGGRZKQSYFKT-ZDUSSCGKSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC[C@H](C[N@H+]2CCC23CCCC3)C1 ZINC001208608640 969165855 /nfs/dbraw/zinc/16/58/55/969165855.db2.gz VPGGGRZKQSYFKT-ZDUSSCGKSA-N 2 1 222.376 2.347 20 0 BEADMP CC(C)[NH+](CC1CC1)C[C@H]1CCC[N@@H+](C)C1 ZINC001208609682 969171061 /nfs/dbraw/zinc/17/10/61/969171061.db2.gz VRLATPOJMLCTLR-AWEZNQCLSA-N 2 1 224.392 2.449 20 0 BEADMP CC[N@@H+](CC(C)(C)C[NH+](C)C)C1CCOCC1 ZINC001207285290 1166273586 /nfs/dbraw/zinc/27/35/86/1166273586.db2.gz DXSWVUJYZLXNRH-UHFFFAOYSA-N 2 1 242.407 2.075 20 0 BEADMP CC[C@@H]1CN(c2cc(C)[nH+]c(C)n2)[C@H](CC)C[NH2+]1 ZINC000086466402 1166279225 /nfs/dbraw/zinc/27/92/25/1166279225.db2.gz PNXKHVHSLZYFPS-CHWSQXEVSA-N 2 1 248.374 2.060 20 0 BEADMP CC[C@@H](C)C[C@H](CC)[N@@H+](C)CCC[NH3+] ZINC000227744766 1166308235 /nfs/dbraw/zinc/30/82/35/1166308235.db2.gz NYICZAMSKZTNLI-NEPJUHHUSA-N 2 1 200.370 2.482 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](C)C2)C1 ZINC000253182777 1166406287 /nfs/dbraw/zinc/40/62/87/1166406287.db2.gz GDDKHENKRRFJEC-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1CCCC[N@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC000252935577 1166427730 /nfs/dbraw/zinc/42/77/30/1166427730.db2.gz FMAHAOQRSOBZIB-JHJVBQTASA-N 2 1 210.365 2.391 20 0 BEADMP C[C@]1(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)CC[NH2+]C1 ZINC000250793552 1166431162 /nfs/dbraw/zinc/43/11/62/1166431162.db2.gz KRKXMBZXTGFWRU-KKUMJFAQSA-N 2 1 236.403 2.498 20 0 BEADMP c1ccc(CC[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC000250799595 1166431216 /nfs/dbraw/zinc/43/12/16/1166431216.db2.gz DDDAPRBYVQIKCF-HOTGVXAUSA-N 2 1 244.382 2.303 20 0 BEADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)[C@H](C)C1 ZINC000252961212 1166461266 /nfs/dbraw/zinc/46/12/66/1166461266.db2.gz VELJTGIBRWVDFS-FDYHWXHSSA-N 2 1 210.365 2.247 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cs1 ZINC000309054189 1166471791 /nfs/dbraw/zinc/47/17/91/1166471791.db2.gz RSWHDBQUYQVLCT-BXKDBHETSA-N 2 1 224.373 2.226 20 0 BEADMP CCC1([NH2+][C@@H]2CCC[N@@H+](C)CC2)CCOCC1 ZINC001254513062 969680701 /nfs/dbraw/zinc/68/07/01/969680701.db2.gz WKHOWMVETVZNPI-CYBMUJFWSA-N 2 1 240.391 2.020 20 0 BEADMP C(C1CCCC1)[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000251020627 1166485589 /nfs/dbraw/zinc/48/55/89/1166485589.db2.gz FCEUXDMDVFQAQD-KBPBESRZSA-N 2 1 222.376 2.251 20 0 BEADMP C1CC[C@H]2[C@@H](C1)CCC[N@@H+]2C1CC[NH2+]CC1 ZINC000036827157 1166497961 /nfs/dbraw/zinc/49/79/61/1166497961.db2.gz SXJMTCQAIMACAS-JSGCOSHPSA-N 2 1 222.376 2.393 20 0 BEADMP C1CC[C@H]2[C@@H](C1)CCC[N@H+]2C1CC[NH2+]CC1 ZINC000036827157 1166497965 /nfs/dbraw/zinc/49/79/65/1166497965.db2.gz SXJMTCQAIMACAS-JSGCOSHPSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@H]1C[N@H+](C2CCC(F)(F)CC2)C[C@H]1C[NH3+] ZINC000708832000 1166517128 /nfs/dbraw/zinc/51/71/28/1166517128.db2.gz WHSBSLKBOLRTGO-VHSXEESVSA-N 2 1 232.318 2.091 20 0 BEADMP CC(C)CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000309374814 1166526563 /nfs/dbraw/zinc/52/65/63/1166526563.db2.gz CLHOWJJINWMKNQ-FRRDWIJNSA-N 2 1 212.381 2.480 20 0 BEADMP COc1ccsc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000393807674 1166529293 /nfs/dbraw/zinc/52/92/93/1166529293.db2.gz QCFSOJGKVUUAEL-SNVBAGLBSA-N 2 1 242.388 2.187 20 0 BEADMP [NH3+]CC1(C[N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000307030618 1166536988 /nfs/dbraw/zinc/53/69/88/1166536988.db2.gz NYKITKYUYGDFTM-UHFFFAOYSA-N 2 1 230.355 2.390 20 0 BEADMP CC(C)[N@@H+]([C@@H]1CCSC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255274233 970025553 /nfs/dbraw/zinc/02/55/53/970025553.db2.gz ALKXFLSRCZGYTG-JHJVBQTASA-N 2 1 242.432 2.472 20 0 BEADMP CC(C)CCC[C@H](C)[NH2+]CCC[N@@H+](C)CCO ZINC001170073431 970166804 /nfs/dbraw/zinc/16/68/04/970166804.db2.gz KKVNHILQSBTTGP-AWEZNQCLSA-N 2 1 244.423 2.105 20 0 BEADMP C[C@H](CC(F)(F)F)n1cc[nH+]c1CCC[NH3+] ZINC001255647554 970426223 /nfs/dbraw/zinc/42/62/23/970426223.db2.gz YENYACOVVZRRLZ-MRVPVSSYSA-N 2 1 235.253 2.288 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@H]1COC ZINC001255957624 970592950 /nfs/dbraw/zinc/59/29/50/970592950.db2.gz SYATXVJECNJJDJ-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[NH+]1CC(C)(C)C1 ZINC001255955976 970595889 /nfs/dbraw/zinc/59/58/89/970595889.db2.gz YKSHZJYKARALMS-LBPRGKRZSA-N 2 1 212.381 2.449 20 0 BEADMP C[C@@]1([NH3+])CC[N@H+](C2CCC(C)(C)CC2)C1 ZINC000405857182 1166888521 /nfs/dbraw/zinc/88/85/21/1166888521.db2.gz OOIOJLWFIOERNB-CYBMUJFWSA-N 2 1 210.365 2.378 20 0 BEADMP CC(C)SCC[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000304268740 1166909442 /nfs/dbraw/zinc/90/94/42/1166909442.db2.gz KGNNAMYTPFORRP-ZDUSSCGKSA-N 2 1 244.448 2.448 20 0 BEADMP CC(C)SCC[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000304268739 1166909542 /nfs/dbraw/zinc/90/95/42/1166909542.db2.gz KGNNAMYTPFORRP-CYBMUJFWSA-N 2 1 244.448 2.448 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2CCC3(CCCC3)C2)CC[NH2+]1 ZINC000304318483 1166911081 /nfs/dbraw/zinc/91/10/81/1166911081.db2.gz BWBHUZCCDWLWFP-QWHCGFSZSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](C(F)(F)F)C2)CC[NH2+]1 ZINC000304455514 1166918649 /nfs/dbraw/zinc/91/86/49/1166918649.db2.gz WWQURMTUVKPSSM-UTLUCORTSA-N 2 1 236.281 2.011 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](C(F)(F)F)C2)CC[NH2+]1 ZINC000304455514 1166918656 /nfs/dbraw/zinc/91/86/56/1166918656.db2.gz WWQURMTUVKPSSM-UTLUCORTSA-N 2 1 236.281 2.011 20 0 BEADMP C[NH+]1CCC([NH+]2CCC(C(F)F)CC2)CC1 ZINC001256208654 970709323 /nfs/dbraw/zinc/70/93/23/970709323.db2.gz LSCCOHSMEINVFQ-UHFFFAOYSA-N 2 1 232.318 2.058 20 0 BEADMP C[C@@H]1CCCCC[N@H+]1C1CCN(C)CC1 ZINC001256207926 970712604 /nfs/dbraw/zinc/71/26/04/970712604.db2.gz RVNGLNWCQFSYFQ-GFCCVEGCSA-N 2 1 210.365 2.345 20 0 BEADMP C[NH+]1CCC([NH+]2C3CCCC2CCC3)CC1 ZINC001256211234 970720217 /nfs/dbraw/zinc/72/02/17/970720217.db2.gz SJNIKMGRUFXSSM-UHFFFAOYSA-N 2 1 222.376 2.488 20 0 BEADMP CC[C@@H]1CC[C@H](n2c[nH+]cc2CC[NH3+])C1 ZINC001173260446 975110875 /nfs/dbraw/zinc/11/08/75/975110875.db2.gz MRHMJWBNNWIJFE-MNOVXSKESA-N 2 1 207.321 2.136 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000383276544 1167120506 /nfs/dbraw/zinc/12/05/06/1167120506.db2.gz WRUKNKOKWOYVFQ-ZOBORPQBSA-N 2 1 236.403 2.352 20 0 BEADMP CCC[N@@H+](CC(C)C)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000308804538 1167201866 /nfs/dbraw/zinc/20/18/66/1167201866.db2.gz AGLFTHMQEWJUPQ-STQMWFEESA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@H]([NH3+])C1 ZINC000309294274 1167282933 /nfs/dbraw/zinc/28/29/33/1167282933.db2.gz RBQLLJCIJUKIRH-AVGNSLFASA-N 2 1 212.381 2.480 20 0 BEADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@H]([NH3+])C1 ZINC000309294274 1167282940 /nfs/dbraw/zinc/28/29/40/1167282940.db2.gz RBQLLJCIJUKIRH-AVGNSLFASA-N 2 1 212.381 2.480 20 0 BEADMP CCCC(CCC)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309405894 1167301097 /nfs/dbraw/zinc/30/10/97/1167301097.db2.gz JPXJJGGHVUABTL-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c1F ZINC000384518753 1167314052 /nfs/dbraw/zinc/31/40/52/1167314052.db2.gz WJIXZDSLUFUFGD-CQSZACIVSA-N 2 1 236.334 2.305 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c1F ZINC000384518753 1167314058 /nfs/dbraw/zinc/31/40/58/1167314058.db2.gz WJIXZDSLUFUFGD-CQSZACIVSA-N 2 1 236.334 2.305 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+]CC2CC(F)(F)C2)CC1 ZINC000309660735 1167335044 /nfs/dbraw/zinc/33/50/44/1167335044.db2.gz RETIKMYNHOHSEB-LLVKDONJSA-N 2 1 232.318 2.106 20 0 BEADMP C[NH2+]CCC[N@@H+](C)CCC1=CCCCC1 ZINC000385107384 1167384744 /nfs/dbraw/zinc/38/47/44/1167384744.db2.gz CFCYDGNGMXJQAE-UHFFFAOYSA-N 2 1 210.365 2.418 20 0 BEADMP CC[C@@H]1CCCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC000251636215 1167451737 /nfs/dbraw/zinc/45/17/37/1167451737.db2.gz FRXXXTIBVSWYTK-YNEHKIRRSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC000251799929 1167458802 /nfs/dbraw/zinc/45/88/02/1167458802.db2.gz LXQXEXNCOGRKQX-MQYQWHSLSA-N 2 1 224.392 2.352 20 0 BEADMP C[N@@H+](Cc1ccsc1)CC1(C[NH3+])CCC1 ZINC000168523257 1167465104 /nfs/dbraw/zinc/46/51/04/1167465104.db2.gz NIOBMZIAVWYADU-UHFFFAOYSA-N 2 1 224.373 2.309 20 0 BEADMP C1CC1[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000035054408 1167580553 /nfs/dbraw/zinc/58/05/53/1167580553.db2.gz FWBRNUWSNGHMFO-UHFFFAOYSA-N 2 1 208.349 2.145 20 0 BEADMP Cc1cc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c(C)cc1O ZINC001205068449 1167697479 /nfs/dbraw/zinc/69/74/79/1167697479.db2.gz IYHMIQPVMXSBFX-JSGCOSHPSA-N 2 1 248.370 2.321 20 0 BEADMP Cc1cc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c(C)cc1O ZINC001205068449 1167697483 /nfs/dbraw/zinc/69/74/83/1167697483.db2.gz IYHMIQPVMXSBFX-JSGCOSHPSA-N 2 1 248.370 2.321 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+](C2C[C@@H](C)C[C@H](C)C2)C1 ZINC000252125808 1167704871 /nfs/dbraw/zinc/70/48/71/1167704871.db2.gz LJFCAASBHKVCLA-AVGNSLFASA-N 2 1 224.392 2.352 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+](C2C[C@H](C)C[C@@H](C)C2)C1 ZINC000252125814 1167705799 /nfs/dbraw/zinc/70/57/99/1167705799.db2.gz LJFCAASBHKVCLA-UPJWGTAASA-N 2 1 224.392 2.352 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001235073761 1167779316 /nfs/dbraw/zinc/77/93/16/1167779316.db2.gz VWBYIUXOKAPWBI-GBJTYRQASA-N 2 1 234.387 2.415 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001235073761 1167779322 /nfs/dbraw/zinc/77/93/22/1167779322.db2.gz VWBYIUXOKAPWBI-GBJTYRQASA-N 2 1 234.387 2.415 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235410497 979040553 /nfs/dbraw/zinc/04/05/53/979040553.db2.gz YGCVCCVTOMHDNB-KBPBESRZSA-N 2 1 242.382 2.446 20 0 BEADMP CCC1CCC([N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000310528332 1168239000 /nfs/dbraw/zinc/23/90/00/1168239000.db2.gz NMNBTCYWFBRTIS-PIOWNMBXSA-N 2 1 236.403 2.497 20 0 BEADMP CCC1CCC([N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000310528323 1168240495 /nfs/dbraw/zinc/24/04/95/1168240495.db2.gz NMNBTCYWFBRTIS-FUUBYGMNSA-N 2 1 236.403 2.497 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+]CCc2ccc(O)cc2)CC1 ZINC000086818880 1168313004 /nfs/dbraw/zinc/31/30/04/1168313004.db2.gz IONBRFFCXOOGRV-CQSZACIVSA-N 2 1 248.370 2.009 20 0 BEADMP CC[C@H](C[C@@H](C)CC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282119 1168324815 /nfs/dbraw/zinc/32/48/15/1168324815.db2.gz JTUSFFHWBKBKNJ-IGQOVBAYSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@H]1CC[C@H]([N@H+](C)C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001237189679 979840440 /nfs/dbraw/zinc/84/04/40/979840440.db2.gz YKYJBWOXSUMIJM-AVGNSLFASA-N 2 1 240.391 2.221 20 0 BEADMP C[C@H]1CC[C@H]([N@@H+](C)C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001237189679 979840442 /nfs/dbraw/zinc/84/04/42/979840442.db2.gz YKYJBWOXSUMIJM-AVGNSLFASA-N 2 1 240.391 2.221 20 0 BEADMP CCCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC000037484754 1168418645 /nfs/dbraw/zinc/41/86/45/1168418645.db2.gz LJHQVZKYEOBUPH-OLZOCXBDSA-N 2 1 212.381 2.497 20 0 BEADMP CCC(CC)[N@@H+](CC)C[C@@H]1CCC[NH2+]C1 ZINC000232893572 1168462940 /nfs/dbraw/zinc/46/29/40/1168462940.db2.gz ZLSKMBZYXOXMDB-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000257685171 1168588291 /nfs/dbraw/zinc/58/82/91/1168588291.db2.gz LZYRPRQFRTXESR-ZDUSSCGKSA-N 2 1 210.365 2.251 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]2C1 ZINC001170752858 1168591464 /nfs/dbraw/zinc/59/14/64/1168591464.db2.gz KXRQJFKTFORZBU-KHMAMNHCSA-N 2 1 248.414 2.305 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]2C1 ZINC001170752858 1168591473 /nfs/dbraw/zinc/59/14/73/1168591473.db2.gz KXRQJFKTFORZBU-KHMAMNHCSA-N 2 1 248.414 2.305 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]2C1 ZINC001170752858 1168591482 /nfs/dbraw/zinc/59/14/82/1168591482.db2.gz KXRQJFKTFORZBU-KHMAMNHCSA-N 2 1 248.414 2.305 20 0 BEADMP CCOC(C)(C)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205604855 981182530 /nfs/dbraw/zinc/18/25/30/981182530.db2.gz YFIVJSRBGHOIRV-OLZOCXBDSA-N 2 1 242.407 2.108 20 0 BEADMP CC(C)CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246648807 1168657935 /nfs/dbraw/zinc/65/79/35/1168657935.db2.gz ZQCJHQBMKGUNCY-AGIUHOORSA-N 2 1 210.365 2.234 20 0 BEADMP CC(C)CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246648807 1168657940 /nfs/dbraw/zinc/65/79/40/1168657940.db2.gz ZQCJHQBMKGUNCY-AGIUHOORSA-N 2 1 210.365 2.234 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1sccc1OC ZINC001348854220 981459927 /nfs/dbraw/zinc/45/99/27/981459927.db2.gz YUHSFAGRWHSMRI-ZJUUUORDSA-N 2 1 242.388 2.405 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+]C2CC(C)(C)C2)CC1 ZINC000258121872 1168934645 /nfs/dbraw/zinc/93/46/45/1168934645.db2.gz POTMXZPSZWADBU-NSHDSACASA-N 2 1 210.365 2.249 20 0 BEADMP CCCCC[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001201744293 983447456 /nfs/dbraw/zinc/44/74/56/983447456.db2.gz GFAUXWGPMLPOKI-BETUJISGSA-N 2 1 210.365 2.060 20 0 BEADMP CCCCC[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001201744293 983447459 /nfs/dbraw/zinc/44/74/59/983447459.db2.gz GFAUXWGPMLPOKI-BETUJISGSA-N 2 1 210.365 2.060 20 0 BEADMP CCCCC[N@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001201737329 983442026 /nfs/dbraw/zinc/44/20/26/983442026.db2.gz IQEHDCHAHXTDRX-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H]1C[C@H](C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)CC[NH2+]1 ZINC000394902636 1169258197 /nfs/dbraw/zinc/25/81/97/1169258197.db2.gz NRXAQMBWCAOXTI-LJISPDSOSA-N 2 1 234.387 2.273 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CC[C@H](C)[C@H]1c1ccccc1 ZINC001331707935 974798769 /nfs/dbraw/zinc/79/87/69/974798769.db2.gz XVOMXVDFVVOXKI-OBJOEFQTSA-N 2 1 218.344 2.417 20 0 BEADMP CC(C)COCC[C@@H](C)n1c[nH+]cc1CC[NH3+] ZINC001172452995 974816958 /nfs/dbraw/zinc/81/69/58/974816958.db2.gz AHTHELKKSXQSOL-GFCCVEGCSA-N 2 1 239.363 2.008 20 0 BEADMP CC[C@@H](C)OCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246542832 972585976 /nfs/dbraw/zinc/58/59/76/972585976.db2.gz LMKUFDBJHJPILR-UMSGYPCISA-N 2 1 228.380 2.002 20 0 BEADMP CC[C@@H](C)OCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246542832 972585984 /nfs/dbraw/zinc/58/59/84/972585984.db2.gz LMKUFDBJHJPILR-UMSGYPCISA-N 2 1 228.380 2.002 20 0 BEADMP CC1(C)C[C@@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)CO1 ZINC001246572988 972864956 /nfs/dbraw/zinc/86/49/56/972864956.db2.gz DSOHJILIZWFVCE-OCCSQVGLSA-N 2 1 240.391 2.005 20 0 BEADMP CC[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256631146 970895009 /nfs/dbraw/zinc/89/50/09/970895009.db2.gz PTBWHWPANJIJFU-HABKJSAYSA-N 2 1 222.376 2.344 20 0 BEADMP CC[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256631146 970895015 /nfs/dbraw/zinc/89/50/15/970895015.db2.gz PTBWHWPANJIJFU-HABKJSAYSA-N 2 1 222.376 2.344 20 0 BEADMP CC[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256631146 970895023 /nfs/dbraw/zinc/89/50/23/970895023.db2.gz PTBWHWPANJIJFU-HABKJSAYSA-N 2 1 222.376 2.344 20 0 BEADMP CC[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC001256631146 970895035 /nfs/dbraw/zinc/89/50/35/970895035.db2.gz PTBWHWPANJIJFU-HABKJSAYSA-N 2 1 222.376 2.344 20 0 BEADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCCCC2)CCC1(F)F ZINC000403216030 970896063 /nfs/dbraw/zinc/89/60/63/970896063.db2.gz GOKPBAVOFQTDOU-GFCCVEGCSA-N 2 1 246.345 2.483 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403316691 970904494 /nfs/dbraw/zinc/90/44/94/970904494.db2.gz CLSLVVQFDGMQIH-VJTDZRGJSA-N 2 1 222.376 2.153 20 0 BEADMP C[C@@]1([NH3+])CC[N@H+](Cc2cccc3c2CCC3)C1 ZINC001204810610 1169476732 /nfs/dbraw/zinc/47/67/32/1169476732.db2.gz XDMGDQSHCWZYBO-OAHLLOKOSA-N 2 1 230.355 2.098 20 0 BEADMP C[C@@]1([NH3+])CC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC001204810610 1169476740 /nfs/dbraw/zinc/47/67/40/1169476740.db2.gz XDMGDQSHCWZYBO-OAHLLOKOSA-N 2 1 230.355 2.098 20 0 BEADMP C[N@@H+](CC1CC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256855579 970996074 /nfs/dbraw/zinc/99/60/74/970996074.db2.gz PPZIXFCILRXXNY-UHFFFAOYSA-N 2 1 245.370 2.392 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC=C(Cl)Cl)C[C@H]21 ZINC000403636640 970997887 /nfs/dbraw/zinc/99/78/87/970997887.db2.gz OIXYPFWDIQVCOC-IVZWLZJFSA-N 2 1 249.185 2.365 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC=C(Cl)Cl)C[C@H]21 ZINC000403636640 970997890 /nfs/dbraw/zinc/99/78/90/970997890.db2.gz OIXYPFWDIQVCOC-IVZWLZJFSA-N 2 1 249.185 2.365 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257101292 971116318 /nfs/dbraw/zinc/11/63/18/971116318.db2.gz GISKVYMLXJQGGZ-BTTYYORXSA-N 2 1 242.407 2.216 20 0 BEADMP CCC[N@H+](CCOC)C1CC[NH+](C(C)C)CC1 ZINC001257213470 971130682 /nfs/dbraw/zinc/13/06/82/971130682.db2.gz OEVZFBNSMOEIKO-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP CCC[N@@H+](CCOC)C1CC[NH+](C(C)C)CC1 ZINC001257213470 971130693 /nfs/dbraw/zinc/13/06/93/971130693.db2.gz OEVZFBNSMOEIKO-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP C[C@@H]1CCC[N@@H+](C/C=C/Cl)[C@H]1CC[NH3+] ZINC000404368520 971158703 /nfs/dbraw/zinc/15/87/03/971158703.db2.gz QEZLGAGLQVDZBW-MFFLNWJUSA-N 2 1 216.756 2.188 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])Cc1ccns1 ZINC000404460608 971165276 /nfs/dbraw/zinc/16/52/76/971165276.db2.gz IDWXCVHLQRXIPP-UHFFFAOYSA-N 2 1 227.377 2.094 20 0 BEADMP CCC[C@@H](CC)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001257267727 971172181 /nfs/dbraw/zinc/17/21/81/971172181.db2.gz YWGPRHSGUCWHGO-MGPQQGTHSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@]1(C[NH+]2CCC(F)(F)CC2)CCC[NH2+]C1 ZINC000405054095 971190473 /nfs/dbraw/zinc/19/04/73/971190473.db2.gz JXGXJCSVSJDGLR-LLVKDONJSA-N 2 1 232.318 2.107 20 0 BEADMP CCC(CC)[N@H+]1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001257303967 971194308 /nfs/dbraw/zinc/19/43/08/971194308.db2.gz WAPTUQXMKHOENY-WCQYABFASA-N 2 1 210.365 2.201 20 0 BEADMP CCC[C@@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001257321127 971220970 /nfs/dbraw/zinc/22/09/70/971220970.db2.gz YRIZVRAFIVSCAM-UPJWGTAASA-N 2 1 210.365 2.059 20 0 BEADMP CCC[C@@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001257321127 971220980 /nfs/dbraw/zinc/22/09/80/971220980.db2.gz YRIZVRAFIVSCAM-UPJWGTAASA-N 2 1 210.365 2.059 20 0 BEADMP CCC[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001257321127 971220985 /nfs/dbraw/zinc/22/09/85/971220985.db2.gz YRIZVRAFIVSCAM-UPJWGTAASA-N 2 1 210.365 2.059 20 0 BEADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccccc2F)C12CCC2 ZINC000405297579 971231734 /nfs/dbraw/zinc/23/17/34/971231734.db2.gz GXUZCMZUSFFWDG-OLZOCXBDSA-N 2 1 234.318 2.185 20 0 BEADMP CCC[N@@H+]1C[C@@H]2C[NH+](C3CCCC3)C[C@@H]2C1 ZINC001257355253 971271101 /nfs/dbraw/zinc/27/11/01/971271101.db2.gz SHRANNRJCPDDJE-BETUJISGSA-N 2 1 222.376 2.203 20 0 BEADMP CCC[NH+]1C[C@@H]2C[N@H+](C3CCCC3)C[C@@H]2C1 ZINC001257355253 971271107 /nfs/dbraw/zinc/27/11/07/971271107.db2.gz SHRANNRJCPDDJE-BETUJISGSA-N 2 1 222.376 2.203 20 0 BEADMP CCC[NH+]1C[C@@H]2C[N@@H+](C3CCCC3)C[C@@H]2C1 ZINC001257355253 971271117 /nfs/dbraw/zinc/27/11/17/971271117.db2.gz SHRANNRJCPDDJE-BETUJISGSA-N 2 1 222.376 2.203 20 0 BEADMP CC[NH+](CC)CCO[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001224927158 974075953 /nfs/dbraw/zinc/07/59/53/974075953.db2.gz DSWHIGQMDRCKHP-CQSZACIVSA-N 2 1 242.407 2.218 20 0 BEADMP CCCC[N@@H+](C)CCC[NH2+][C@@H](C)CC ZINC001257429270 971333573 /nfs/dbraw/zinc/33/35/73/971333573.db2.gz MDKFZLIWKVZRFU-LBPRGKRZSA-N 2 1 200.370 2.497 20 0 BEADMP CC[C@H](C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001257446903 971362687 /nfs/dbraw/zinc/36/26/87/971362687.db2.gz SFNSDYVVLWBOLX-NSHDSACASA-N 2 1 210.365 2.344 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](C3CCCCC3)C[C@@H]2C1 ZINC001257458116 971379695 /nfs/dbraw/zinc/37/96/95/971379695.db2.gz QTPXLFGMUZHFKI-OLZOCXBDSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](C3CCCCC3)C[C@@H]2C1 ZINC001257458116 971379699 /nfs/dbraw/zinc/37/96/99/971379699.db2.gz QTPXLFGMUZHFKI-OLZOCXBDSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](C3CCCCC3)C[C@@H]2C1 ZINC001257458116 971379706 /nfs/dbraw/zinc/37/97/06/971379706.db2.gz QTPXLFGMUZHFKI-OLZOCXBDSA-N 2 1 222.376 2.203 20 0 BEADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCCSC2)CC1 ZINC001257684453 971490813 /nfs/dbraw/zinc/49/08/13/971490813.db2.gz SZGBPQQDBIBUPY-CYBMUJFWSA-N 2 1 242.432 2.298 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172101050 974332096 /nfs/dbraw/zinc/33/20/96/974332096.db2.gz WCUPNCZEXPWPDP-ITGHMWBKSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170738711 971690550 /nfs/dbraw/zinc/69/05/50/971690550.db2.gz KEUARZCFMDXHLO-RKQHYHRCSA-N 2 1 236.403 2.351 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170738711 971690554 /nfs/dbraw/zinc/69/05/54/971690554.db2.gz KEUARZCFMDXHLO-RKQHYHRCSA-N 2 1 236.403 2.351 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC1(C)C)C2 ZINC001172112610 974377714 /nfs/dbraw/zinc/37/77/14/974377714.db2.gz YDIACNBISYQJHC-RVMXOQNASA-N 2 1 222.376 2.390 20 0 BEADMP CC[NH+]1CCC([NH2+]C2CCC(F)CC2)CC1 ZINC000309640069 971717445 /nfs/dbraw/zinc/71/74/45/971717445.db2.gz KOWDYMWYHLAPMH-UHFFFAOYSA-N 2 1 228.355 2.341 20 0 BEADMP CC(C)[N@H+]1CCC[C@H](Oc2cccc(C[NH3+])c2)C1 ZINC001218349140 971721437 /nfs/dbraw/zinc/72/14/37/971721437.db2.gz XXIPRRVKFLQBDN-HNNXBMFYSA-N 2 1 248.370 2.397 20 0 BEADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170763743 971749783 /nfs/dbraw/zinc/74/97/83/971749783.db2.gz CMBDVZHDGKKAGA-FQLMCAECSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170763743 971749797 /nfs/dbraw/zinc/74/97/97/971749797.db2.gz CMBDVZHDGKKAGA-FQLMCAECSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170763743 971749803 /nfs/dbraw/zinc/74/98/03/971749803.db2.gz CMBDVZHDGKKAGA-FQLMCAECSA-N 2 1 248.414 2.449 20 0 BEADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC=C(Cl)Cl ZINC000407161995 971772030 /nfs/dbraw/zinc/77/20/30/971772030.db2.gz YJOSYNVKGFLYAY-RNFRBKRXSA-N 2 1 223.147 2.021 20 0 BEADMP CCC[NH+](CCC)CC[NH2+][C@@H]1CCCOCC1 ZINC001170776387 971797998 /nfs/dbraw/zinc/79/79/98/971797998.db2.gz OCDWVJCDFBYSJS-CQSZACIVSA-N 2 1 242.407 2.267 20 0 BEADMP CCC(C)(C)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001172243604 974508536 /nfs/dbraw/zinc/50/85/36/974508536.db2.gz XFEIKYLWOYDJJW-UHFFFAOYSA-N 2 1 242.407 2.266 20 0 BEADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCCOCC1 ZINC001170789542 971825593 /nfs/dbraw/zinc/82/55/93/971825593.db2.gz GQGUDODNBVHASS-IHRRRGAJSA-N 2 1 240.391 2.018 20 0 BEADMP CC[C@@H](C)OCC[C@@H](C)n1c[nH+]cc1CC[NH3+] ZINC001172322760 974534642 /nfs/dbraw/zinc/53/46/42/974534642.db2.gz YFKOEEDUAKSELV-VXGBXAGGSA-N 2 1 239.363 2.151 20 0 BEADMP [NH3+]CCCCCCCC[NH2+][C@H]1CCCCNC1 ZINC001246080114 972133343 /nfs/dbraw/zinc/13/33/43/972133343.db2.gz MVDWKFCPLCADCH-AWEZNQCLSA-N 2 1 241.423 2.017 20 0 BEADMP [NH3+]CCCCCCCC[NH2+][C@@H]1CCCCNC1 ZINC001246080132 972133775 /nfs/dbraw/zinc/13/37/75/972133775.db2.gz MVDWKFCPLCADCH-CQSZACIVSA-N 2 1 241.423 2.017 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC001246098315 972151651 /nfs/dbraw/zinc/15/16/51/972151651.db2.gz QVUWSIHYHLYEBM-LPWJVIDDSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1CC[C@H](C[NH2+]C2Cc3ccccc3C2)[NH2+]C1 ZINC001246105041 972169468 /nfs/dbraw/zinc/16/94/68/972169468.db2.gz AOFLHXYKOYNXOX-IUODEOHRSA-N 2 1 244.382 2.132 20 0 BEADMP C[N@H+]1CCC=C(c2ccc([C@H]3CC[NH2+]C3)cc2)C1 ZINC001241571278 1169731077 /nfs/dbraw/zinc/73/10/77/1169731077.db2.gz XNWYCRLTJUUIPF-HNNXBMFYSA-N 2 1 242.366 2.482 20 0 BEADMP C[NH+](C)/C=C/c1ccncc1C1=CCC[N@@H+](C)C1 ZINC001241571780 1169732492 /nfs/dbraw/zinc/73/24/92/1169732492.db2.gz IVSHKORDSOFPSA-JXMROGBWSA-N 2 1 243.354 2.333 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)nc1 ZINC001246231177 972235028 /nfs/dbraw/zinc/23/50/28/972235028.db2.gz SFJGISPAJUXDHX-UPJWGTAASA-N 2 1 233.359 2.181 20 0 BEADMP C[NH+](C)CCC[N@H+](C)Cc1ccc2c(c1)COC2 ZINC001137022021 972329857 /nfs/dbraw/zinc/32/98/57/972329857.db2.gz LXBPDGSEZVFNNP-UHFFFAOYSA-N 2 1 248.370 2.100 20 0 BEADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc2c(c1)COC2 ZINC001137022021 972329862 /nfs/dbraw/zinc/32/98/62/972329862.db2.gz LXBPDGSEZVFNNP-UHFFFAOYSA-N 2 1 248.370 2.100 20 0 BEADMP C[C@@H]1CC[C@@H]([N@@H+]2CCC3(CCC3)C2)C[NH2+]1 ZINC000399020585 958480348 /nfs/dbraw/zinc/48/03/48/958480348.db2.gz HUHWXJOADLRQGG-VXGBXAGGSA-N 2 1 208.349 2.003 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CCC3(CCC3)C2)C[NH2+]1 ZINC000399020585 958480360 /nfs/dbraw/zinc/48/03/60/958480360.db2.gz HUHWXJOADLRQGG-VXGBXAGGSA-N 2 1 208.349 2.003 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CCc2cccc(F)c2)C[NH2+]1 ZINC000399214728 958571397 /nfs/dbraw/zinc/57/13/97/958571397.db2.gz ZEYQUBBQSHSAOV-BXUZGUMPSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]CCCOc2ccccc2)C[NH2+]1 ZINC000399220245 958571562 /nfs/dbraw/zinc/57/15/62/958571562.db2.gz KIELMKUINBDONH-KBPBESRZSA-N 2 1 248.370 2.186 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCC23CCCC3)CC[NH2+]1 ZINC000707627663 958636938 /nfs/dbraw/zinc/63/69/38/958636938.db2.gz RRRVYQWPEYYIDB-VXGBXAGGSA-N 2 1 208.349 2.145 20 0 BEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@]12C[C@H]1CCC2 ZINC000693534723 958726832 /nfs/dbraw/zinc/72/68/32/958726832.db2.gz OLRPGPXNYVXLTG-TUVASFSCSA-N 2 1 234.387 2.393 20 0 BEADMP CC[C@@H]1C[N@@H+](CCCCCC[NH3+])[C@@H](CC)CO1 ZINC000403731891 958835835 /nfs/dbraw/zinc/83/58/35/958835835.db2.gz BABZVGRCCDWKKW-UONOGXRCSA-N 2 1 242.407 2.395 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000690738452 958856372 /nfs/dbraw/zinc/85/63/72/958856372.db2.gz HPIUWMWPCARBOS-SNVBAGLBSA-N 2 1 240.297 2.136 20 0 BEADMP C[C@@H](Cc1ccccn1)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000707961860 958880080 /nfs/dbraw/zinc/88/00/80/958880080.db2.gz VMONDLYLFQKGSE-ZFWWWQNUSA-N 2 1 247.386 2.087 20 0 BEADMP CC[N@H+](Cc1cccs1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693591731 958899920 /nfs/dbraw/zinc/89/99/20/958899920.db2.gz LHMFIVKMEOOHDK-PHIMTYICSA-N 2 1 224.373 2.307 20 0 BEADMP CC[N@H+](Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693597784 958924315 /nfs/dbraw/zinc/92/43/15/958924315.db2.gz XKJJTSBZFNTLRS-OKILXGFUSA-N 2 1 218.344 2.246 20 0 BEADMP [NH3+]Cc1cccn1-c1cc[nH+]cc1C(F)(F)F ZINC001167593646 958997863 /nfs/dbraw/zinc/99/78/63/958997863.db2.gz XFSFTBVSLKHTOT-UHFFFAOYSA-N 2 1 241.216 2.350 20 0 BEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cncs1 ZINC000693892817 959482744 /nfs/dbraw/zinc/48/27/44/959482744.db2.gz DQKHKBXEQZVGIR-WDEREUQCSA-N 2 1 239.388 2.278 20 0 BEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cncs1 ZINC000693892817 959482751 /nfs/dbraw/zinc/48/27/51/959482751.db2.gz DQKHKBXEQZVGIR-WDEREUQCSA-N 2 1 239.388 2.278 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222345266 972441052 /nfs/dbraw/zinc/44/10/52/972441052.db2.gz KHSIMOJMQSYODL-FZKCQIBNSA-N 2 1 246.398 2.417 20 0 BEADMP CCCC[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385316 972450684 /nfs/dbraw/zinc/45/06/84/972450684.db2.gz JKFOXORPXPRSKG-ZDUSSCGKSA-N 2 1 210.365 2.395 20 0 BEADMP CCCC[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385316 972450685 /nfs/dbraw/zinc/45/06/85/972450685.db2.gz JKFOXORPXPRSKG-ZDUSSCGKSA-N 2 1 210.365 2.395 20 0 BEADMP Cc1cccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1F ZINC000708823413 959853945 /nfs/dbraw/zinc/85/39/45/959853945.db2.gz UEGNBCPOTDIHEY-WCQYABFASA-N 2 1 236.334 2.161 20 0 BEADMP CC[C@@H]1CC[C@H]([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)C1 ZINC000708863265 959986300 /nfs/dbraw/zinc/98/63/00/959986300.db2.gz NBRVWLZDDNQPIM-LOWDOPEQSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCCC(F)(F)C1 ZINC000695114594 960108783 /nfs/dbraw/zinc/10/87/83/960108783.db2.gz WXFVOHQOHVQGMQ-DCAQKATOSA-N 2 1 232.318 2.294 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000695114594 960108795 /nfs/dbraw/zinc/10/87/95/960108795.db2.gz WXFVOHQOHVQGMQ-DCAQKATOSA-N 2 1 232.318 2.294 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]C/C=C/c1ccccc1 ZINC000310842168 960207999 /nfs/dbraw/zinc/20/79/99/960207999.db2.gz BJVXNBGJCLRMEF-VMPITWQZSA-N 2 1 241.338 2.495 20 0 BEADMP C[NH2+]CC[N@H+](C)CC1CCC2(CC2)CC1 ZINC000695573469 960291923 /nfs/dbraw/zinc/29/19/23/960291923.db2.gz GAEZFOZFVOVSAI-UHFFFAOYSA-N 2 1 210.365 2.108 20 0 BEADMP C[NH2+]CC[N@@H+](C)CC1CCC2(CC2)CC1 ZINC000695573469 960291931 /nfs/dbraw/zinc/29/19/31/960291931.db2.gz GAEZFOZFVOVSAI-UHFFFAOYSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCCC(F)(F)CC2)CC[NH2+]1 ZINC000702795776 960305061 /nfs/dbraw/zinc/30/50/61/960305061.db2.gz CHWSYCCGNRHLSC-MNOVXSKESA-N 2 1 232.318 2.248 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1(Cl)CC1 ZINC000695654756 960328454 /nfs/dbraw/zinc/32/84/54/960328454.db2.gz JGADJIDWGKDPFY-WDEREUQCSA-N 2 1 242.794 2.220 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCCC2(CC2)C1 ZINC000695717856 960399703 /nfs/dbraw/zinc/39/97/03/960399703.db2.gz RTKWZQSVFPZDFN-AVGNSLFASA-N 2 1 222.376 2.439 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000695720261 960402095 /nfs/dbraw/zinc/40/20/95/960402095.db2.gz ZDSOGFAMSIWHLQ-ZDUSSCGKSA-N 2 1 222.376 2.237 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222345281 960543749 /nfs/dbraw/zinc/54/37/49/960543749.db2.gz KHSIMOJMQSYODL-ZJIFWQFVSA-N 2 1 246.398 2.417 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H]2c2ccncc2)CC[NH2+]1 ZINC000709467549 960610935 /nfs/dbraw/zinc/61/09/35/960610935.db2.gz UMNAQUPEGQMUFW-YUELXQCFSA-N 2 1 245.370 2.359 20 0 BEADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000709476863 960621290 /nfs/dbraw/zinc/62/12/90/960621290.db2.gz GBZJKJXWHPRPIJ-FZMZJTMJSA-N 2 1 236.334 2.398 20 0 BEADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000709476863 960621300 /nfs/dbraw/zinc/62/13/00/960621300.db2.gz GBZJKJXWHPRPIJ-FZMZJTMJSA-N 2 1 236.334 2.398 20 0 BEADMP C[C@@H]1C[N@@H+](CCCCc2ccccc2)C[C@H]1[NH3+] ZINC000300047968 960875041 /nfs/dbraw/zinc/87/50/41/960875041.db2.gz GIOPWWIOCHHFQE-UKRRQHHQSA-N 2 1 232.371 2.288 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H]1COC ZINC001167834914 961211177 /nfs/dbraw/zinc/21/11/77/961211177.db2.gz NTYNWZGZUFOKQM-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167902055 961650720 /nfs/dbraw/zinc/65/07/20/961650720.db2.gz ATVBRFHSAJJNHI-FYYZZUKCSA-N 2 1 234.387 2.390 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167902055 961650739 /nfs/dbraw/zinc/65/07/39/961650739.db2.gz ATVBRFHSAJJNHI-FYYZZUKCSA-N 2 1 234.387 2.390 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000692926526 961747709 /nfs/dbraw/zinc/74/77/09/961747709.db2.gz KDUNELPTMCLDPN-YUELXQCFSA-N 2 1 236.403 2.354 20 0 BEADMP F[C@@H]1C[N@@H+](Cc2ccc3nccn3c2)C[C@@H]2C[C@@H]21 ZINC001143021973 961867263 /nfs/dbraw/zinc/86/72/63/961867263.db2.gz JEHUHOWKMFLJGQ-RWMBFGLXSA-N 2 1 245.301 2.124 20 0 BEADMP F[C@@H]1CN(Cc2ccc3nccn3c2)C[C@@H]2C[C@@H]21 ZINC001143021973 961867265 /nfs/dbraw/zinc/86/72/65/961867265.db2.gz JEHUHOWKMFLJGQ-RWMBFGLXSA-N 2 1 245.301 2.124 20 0 BEADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167939981 962164511 /nfs/dbraw/zinc/16/45/11/962164511.db2.gz OGRFYPNKNQJCSN-WDNDVIMCSA-N 2 1 222.376 2.059 20 0 BEADMP CCc1cccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)n1 ZINC001206641222 962286331 /nfs/dbraw/zinc/28/63/31/962286331.db2.gz UQNKMKQOANVWML-CYBMUJFWSA-N 2 1 247.386 2.205 20 0 BEADMP Cc1cnc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(C)c1 ZINC001206646922 962544375 /nfs/dbraw/zinc/54/43/75/962544375.db2.gz FDUIAOIDKGYJNH-CQSZACIVSA-N 2 1 247.386 2.259 20 0 BEADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3C[C@H]4C[C@H]4C3)C2)CC1 ZINC001167950595 962630560 /nfs/dbraw/zinc/63/05/60/962630560.db2.gz CZQZXEIMSSRBOS-BTTYYORXSA-N 2 1 234.387 2.203 20 0 BEADMP c1cc(C2CC2)cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)[nH+]1 ZINC001155586501 963117241 /nfs/dbraw/zinc/11/72/41/963117241.db2.gz WPQKOTCFOALFFY-RDBSUJKOSA-N 2 1 243.354 2.369 20 0 BEADMP Cc1[nH+]ccn1CCNc1cc2[nH]ccc2c[nH+]1 ZINC001156002202 963229673 /nfs/dbraw/zinc/22/96/73/963229673.db2.gz XGZUMUWFHYNIRD-UHFFFAOYSA-N 2 1 241.298 2.180 20 0 BEADMP COC[C@@H]1CCCC[N@@H+](CCCCCC[NH3+])C1 ZINC000696642588 963331447 /nfs/dbraw/zinc/33/14/47/963331447.db2.gz BFXHRVNMBKBNPU-CQSZACIVSA-N 2 1 242.407 2.254 20 0 BEADMP CC(C)(C[NH3+])[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255686963 1169827265 /nfs/dbraw/zinc/82/72/65/1169827265.db2.gz VUKCULUISZDYRC-BDAKNGLRSA-N 2 1 238.297 2.434 20 0 BEADMP CCCc1[nH+]ccn1C[C@H]1CCCC[NH2+]C1 ZINC000697002607 963624261 /nfs/dbraw/zinc/62/42/61/963624261.db2.gz YULFFQJEKLJDJP-LBPRGKRZSA-N 2 1 221.348 2.225 20 0 BEADMP C[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)CCO1 ZINC001168080902 963626068 /nfs/dbraw/zinc/62/60/68/963626068.db2.gz XDKLSDWOSHDNKO-CRWXNKLISA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@@H](C)[N@@H+](CC)C[C@@H]1CCCC[NH2+]C1 ZINC000697040095 963669637 /nfs/dbraw/zinc/66/96/37/963669637.db2.gz HKEARXNAGHAXBQ-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP CC1CCC([N@H+]2CCc3[nH+]ccn3CC2)CC1 ZINC001168221463 964000000 /nfs/dbraw/zinc/00/00/00/964000000.db2.gz DERLKDIACNXLJP-UHFFFAOYSA-N 2 1 233.359 2.320 20 0 BEADMP CC1CCC([N@@H+]2CCc3[nH+]ccn3CC2)CC1 ZINC001168221463 964000016 /nfs/dbraw/zinc/00/00/16/964000016.db2.gz DERLKDIACNXLJP-UHFFFAOYSA-N 2 1 233.359 2.320 20 0 BEADMP C[C@@H]1C[C@@H](F)C[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168313435 964422532 /nfs/dbraw/zinc/42/25/32/964422532.db2.gz CTAIUTUCLVFTOY-OKZRHMCRSA-N 2 1 228.355 2.292 20 0 BEADMP CC(C)C[N@@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168316440 964432018 /nfs/dbraw/zinc/43/20/18/964432018.db2.gz YTTWRMNRWQKBRD-UHFFFAOYSA-N 2 1 212.381 2.447 20 0 BEADMP C[C@H]1CCC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168315958 964437597 /nfs/dbraw/zinc/43/75/97/964437597.db2.gz SJNXCQNRJHUYOU-HIFPTAJRSA-N 2 1 210.365 2.344 20 0 BEADMP C[NH+](C)C1CCC([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC1 ZINC001168327640 964461185 /nfs/dbraw/zinc/46/11/85/964461185.db2.gz QHXBWBCUYMJPCZ-UMHABRDISA-N 2 1 240.366 2.007 20 0 BEADMP CCC1CCC([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC001256874492 1169842743 /nfs/dbraw/zinc/84/27/43/1169842743.db2.gz BPTBPFABACMYES-HFDVOGEKSA-N 2 1 236.403 2.449 20 0 BEADMP CCC1CCC([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CC1 ZINC001256874492 1169842751 /nfs/dbraw/zinc/84/27/51/1169842751.db2.gz BPTBPFABACMYES-HFDVOGEKSA-N 2 1 236.403 2.449 20 0 BEADMP CCC1CCC([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CC1 ZINC001256874492 1169842757 /nfs/dbraw/zinc/84/27/57/1169842757.db2.gz BPTBPFABACMYES-HFDVOGEKSA-N 2 1 236.403 2.449 20 0 BEADMP Cc1sccc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000697887107 964632472 /nfs/dbraw/zinc/63/24/72/964632472.db2.gz DGIKYJPBRCDTPM-JTQLQIEISA-N 2 1 226.389 2.486 20 0 BEADMP C[C@H](CC[NH2+]Cc1cccc(F)c1)[NH+](C)C ZINC000697905975 964674343 /nfs/dbraw/zinc/67/43/43/964674343.db2.gz WQJWHJZDXUSYCI-LLVKDONJSA-N 2 1 224.323 2.256 20 0 BEADMP Cc1nc(C)c(C[NH2+]CC[C@H](C)[NH+](C)C)s1 ZINC000697914102 964676133 /nfs/dbraw/zinc/67/61/33/964676133.db2.gz AQMOKPWWNXMJKH-VIFPVBQESA-N 2 1 241.404 2.190 20 0 BEADMP COc1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc1 ZINC000697920997 964687318 /nfs/dbraw/zinc/68/73/18/964687318.db2.gz RSRIEFYPPAABQN-GFCCVEGCSA-N 2 1 236.359 2.125 20 0 BEADMP Cc1c[nH+]cc(NCCCC[NH+](C)C)c1C ZINC001161731049 964719935 /nfs/dbraw/zinc/71/99/35/964719935.db2.gz YOOQFEPKUFKEQK-UHFFFAOYSA-N 2 1 221.348 2.452 20 0 BEADMP C[N@H+]1CCC[C@](C)(Nc2cc3[nH]ccc3c[nH+]2)C1 ZINC001162340159 964936668 /nfs/dbraw/zinc/93/66/68/964936668.db2.gz ADTWZCZGISLWTI-AWEZNQCLSA-N 2 1 244.342 2.459 20 0 BEADMP CC[N@H+](C1CC1)C1CC[NH+](CC2CC2)CC1 ZINC001168371532 964939579 /nfs/dbraw/zinc/93/95/79/964939579.db2.gz NVRAJGZJXJIVTP-UHFFFAOYSA-N 2 1 222.376 2.345 20 0 BEADMP CN(C)c1cc[nH+]c(N[C@]2(C)CCC[N@@H+](C)C2)c1 ZINC001162343035 964939671 /nfs/dbraw/zinc/93/96/71/964939671.db2.gz ZYPZTPDQENGQBZ-CQSZACIVSA-N 2 1 248.374 2.044 20 0 BEADMP Cc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)c2[nH+]ccn2c1 ZINC001162399540 964960600 /nfs/dbraw/zinc/96/06/00/964960600.db2.gz BRTRRYCANWFCIY-NWDGAFQWSA-N 2 1 244.342 2.325 20 0 BEADMP CCc1ccc[nH+]c1NC[C@H]1C[NH2+][C@H](C)C1 ZINC001162553297 965043727 /nfs/dbraw/zinc/04/37/27/965043727.db2.gz ZTMTUYNOVJJKAK-GHMZBOCLSA-N 2 1 219.332 2.054 20 0 BEADMP F[C@H]1C[NH2+]CC[C@H]1CNc1cccc(C2CC2)[nH+]1 ZINC001162808316 965191607 /nfs/dbraw/zinc/19/16/07/965191607.db2.gz IPJNKRVAFVPQGU-RYUDHWBXSA-N 2 1 249.333 2.319 20 0 BEADMP C[C@H]1CC[C@@H](CN)[N@H+]1Cc1cccc2c1CCC2 ZINC001205088607 965690621 /nfs/dbraw/zinc/69/06/21/965690621.db2.gz QPIUMPQFETZGAH-WFASDCNBSA-N 2 1 244.382 2.487 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccc2c1CCC2 ZINC001205088607 965690634 /nfs/dbraw/zinc/69/06/34/965690634.db2.gz QPIUMPQFETZGAH-WFASDCNBSA-N 2 1 244.382 2.487 20 0 BEADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccc2c1CCC2 ZINC001205088607 965690646 /nfs/dbraw/zinc/69/06/46/965690646.db2.gz QPIUMPQFETZGAH-WFASDCNBSA-N 2 1 244.382 2.487 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc3[nH]ccc32)CC1 ZINC001205093866 965720203 /nfs/dbraw/zinc/72/02/03/965720203.db2.gz GWKPWIMMGAYMQY-CYBMUJFWSA-N 2 1 243.354 2.481 20 0 BEADMP CN(C)c1ccccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205094898 965735365 /nfs/dbraw/zinc/73/53/65/965735365.db2.gz RIVYKWBAJZCEBF-AWEZNQCLSA-N 2 1 247.386 2.066 20 0 BEADMP Cc1cc(N(CCC[NH3+])C(C)C)c2[nH+]ccn2c1 ZINC001164126788 965749246 /nfs/dbraw/zinc/74/92/46/965749246.db2.gz KCQNCHPWUDWQQZ-UHFFFAOYSA-N 2 1 246.358 2.206 20 0 BEADMP C[NH+](C)C1(CNc2ccccc2)CC[NH+](C)CC1 ZINC001164212070 965797916 /nfs/dbraw/zinc/79/79/16/965797916.db2.gz XJNDNBGSBOVSSA-UHFFFAOYSA-N 2 1 247.386 2.125 20 0 BEADMP Cc1cc(O)cc(C)c1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205102894 965803336 /nfs/dbraw/zinc/80/33/36/965803336.db2.gz VUSDNDJPJBRPOZ-CYBMUJFWSA-N 2 1 248.370 2.322 20 0 BEADMP C[NH2+]C[C@@H]1CCCC[N@@H+]1CC[C@H]1CCCCO1 ZINC000699569240 965994513 /nfs/dbraw/zinc/99/45/13/965994513.db2.gz IYRMBNIHFFZWBU-UONOGXRCSA-N 2 1 240.391 2.020 20 0 BEADMP C[NH2+]C[C@@H]1CCCC[N@H+]1CC[C@H]1CCCCO1 ZINC000699569240 965994520 /nfs/dbraw/zinc/99/45/20/965994520.db2.gz IYRMBNIHFFZWBU-UONOGXRCSA-N 2 1 240.391 2.020 20 0 BEADMP C[NH2+]C[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000699568830 965994927 /nfs/dbraw/zinc/99/49/27/965994927.db2.gz IYRMBNIHFFZWBU-KBPBESRZSA-N 2 1 240.391 2.020 20 0 BEADMP C[NH2+]C[C@@H]1CCCC[N@H+]1CC[C@@H]1CCCCO1 ZINC000699568830 965994936 /nfs/dbraw/zinc/99/49/36/965994936.db2.gz IYRMBNIHFFZWBU-KBPBESRZSA-N 2 1 240.391 2.020 20 0 BEADMP Cc1c[nH+]c(N2CCC3(CC([NH3+])C3)CC2)c(C)c1 ZINC001165243864 966007381 /nfs/dbraw/zinc/00/73/81/966007381.db2.gz RXEKIUUBDFIHES-UHFFFAOYSA-N 2 1 245.370 2.406 20 0 BEADMP [NH3+][C@@]12C[C@@H]1CC[N@H+](CCCc1ccc(F)cc1)C2 ZINC001235166195 966023898 /nfs/dbraw/zinc/02/38/98/966023898.db2.gz PTMJZBLRLZTGMD-DZGCQCFKSA-N 2 1 248.345 2.181 20 0 BEADMP [NH3+][C@@]12C[C@@H]1CC[N@@H+](CCCc1ccc(F)cc1)C2 ZINC001235166195 966023916 /nfs/dbraw/zinc/02/39/16/966023916.db2.gz PTMJZBLRLZTGMD-DZGCQCFKSA-N 2 1 248.345 2.181 20 0 BEADMP Cc1cc(NCC[C@H]2CCC[N@H+](C)C2)cc(C)[nH+]1 ZINC001165278783 966025095 /nfs/dbraw/zinc/02/50/95/966025095.db2.gz LTDAYYUBMVXZGY-CQSZACIVSA-N 2 1 247.386 2.264 20 0 BEADMP Cc1cc(NCC[C@@H]2CCC[N@H+](C)C2)cc(C)[nH+]1 ZINC001165278777 966026000 /nfs/dbraw/zinc/02/60/00/966026000.db2.gz LTDAYYUBMVXZGY-AWEZNQCLSA-N 2 1 247.386 2.264 20 0 BEADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](C[C@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001235240923 966032125 /nfs/dbraw/zinc/03/21/25/966032125.db2.gz OEWRVDOYZRPXMF-NJVJYBDUSA-N 2 1 232.371 2.012 20 0 BEADMP CCC[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959465 966179190 /nfs/dbraw/zinc/17/91/90/966179190.db2.gz QAESLDZBYLAQFO-RVMXOQNASA-N 2 1 210.365 2.092 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)CC1 ZINC001205171105 966200423 /nfs/dbraw/zinc/20/04/23/966200423.db2.gz KRNPMNNURRBRGZ-REWJHTLYSA-N 2 1 222.376 2.400 20 0 BEADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1cccc3cc[nH]c31)C2 ZINC001235994308 966219119 /nfs/dbraw/zinc/21/91/19/966219119.db2.gz VBJALPIMHMBPOX-UKRRQHHQSA-N 2 1 241.338 2.091 20 0 BEADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1cccc3cc[nH]c31)C2 ZINC001235994308 966219129 /nfs/dbraw/zinc/21/91/29/966219129.db2.gz VBJALPIMHMBPOX-UKRRQHHQSA-N 2 1 241.338 2.091 20 0 BEADMP CC(C)(CC[N@@H+]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC001236170720 966287452 /nfs/dbraw/zinc/28/74/52/966287452.db2.gz ZLQQBHGSKHNCOP-CQSZACIVSA-N 2 1 232.371 2.387 20 0 BEADMP CC(C)(CC[N@H+]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC001236170720 966287462 /nfs/dbraw/zinc/28/74/62/966287462.db2.gz ZLQQBHGSKHNCOP-CQSZACIVSA-N 2 1 232.371 2.387 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](CCCCCc2ccccc2)C1 ZINC001236170287 966288957 /nfs/dbraw/zinc/28/89/57/966288957.db2.gz USGSHVYLARMCJM-OAHLLOKOSA-N 2 1 232.371 2.432 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](CCCCCc2ccccc2)C1 ZINC001236170287 966288965 /nfs/dbraw/zinc/28/89/65/966288965.db2.gz USGSHVYLARMCJM-OAHLLOKOSA-N 2 1 232.371 2.432 20 0 BEADMP CC(C)[C@H]1CCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000084125904 966928084 /nfs/dbraw/zinc/92/80/84/966928084.db2.gz AZBWSRWDWJGJMH-GFCCVEGCSA-N 2 1 212.381 2.495 20 0 BEADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)oc1C ZINC001204533269 967027832 /nfs/dbraw/zinc/02/78/32/967027832.db2.gz KBGGOAIOQJJTNP-KGLIPLIRSA-N 2 1 248.370 2.280 20 0 BEADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)oc1C ZINC001204533269 967027843 /nfs/dbraw/zinc/02/78/43/967027843.db2.gz KBGGOAIOQJJTNP-KGLIPLIRSA-N 2 1 248.370 2.280 20 0 BEADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)oc1C ZINC001204533269 967027853 /nfs/dbraw/zinc/02/78/53/967027853.db2.gz KBGGOAIOQJJTNP-KGLIPLIRSA-N 2 1 248.370 2.280 20 0 BEADMP C[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1ccccc1 ZINC001204604370 967099601 /nfs/dbraw/zinc/09/96/01/967099601.db2.gz KYVMMYIAVZYZCR-AWEZNQCLSA-N 2 1 248.370 2.233 20 0 BEADMP C[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1ccccc1 ZINC001204604370 967099607 /nfs/dbraw/zinc/09/96/07/967099607.db2.gz KYVMMYIAVZYZCR-AWEZNQCLSA-N 2 1 248.370 2.233 20 0 BEADMP C[C@@]1([NH3+])CC[N@H+](Cc2cccc3ccoc32)C1 ZINC001204800385 967176004 /nfs/dbraw/zinc/17/60/04/967176004.db2.gz DBSDQPBWCZFQBS-CQSZACIVSA-N 2 1 230.311 2.356 20 0 BEADMP C[C@@]1([NH3+])CC[N@@H+](Cc2cccc3ccoc32)C1 ZINC001204800385 967176012 /nfs/dbraw/zinc/17/60/12/967176012.db2.gz DBSDQPBWCZFQBS-CQSZACIVSA-N 2 1 230.311 2.356 20 0 BEADMP C[C@]1([NH3+])CC[N@H+](Cc2cccc3ccoc32)C1 ZINC001204800383 967178509 /nfs/dbraw/zinc/17/85/09/967178509.db2.gz DBSDQPBWCZFQBS-AWEZNQCLSA-N 2 1 230.311 2.356 20 0 BEADMP C[C@]1([NH3+])CC[N@@H+](Cc2cccc3ccoc32)C1 ZINC001204800383 967178524 /nfs/dbraw/zinc/17/85/24/967178524.db2.gz DBSDQPBWCZFQBS-AWEZNQCLSA-N 2 1 230.311 2.356 20 0 BEADMP C[C@]1([NH3+])CCC[N@H+](Cc2cccc3c2CCC3)C1 ZINC001204945570 967252874 /nfs/dbraw/zinc/25/28/74/967252874.db2.gz HGTXEZFNDOUFRK-INIZCTEOSA-N 2 1 244.382 2.489 20 0 BEADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC001204945570 967252887 /nfs/dbraw/zinc/25/28/87/967252887.db2.gz HGTXEZFNDOUFRK-INIZCTEOSA-N 2 1 244.382 2.489 20 0 BEADMP Cc1cccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205064891 967323182 /nfs/dbraw/zinc/32/31/82/967323182.db2.gz ZVCDUCCTHLFNAV-JSGCOSHPSA-N 2 1 218.344 2.307 20 0 BEADMP Cc1cccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205064891 967323191 /nfs/dbraw/zinc/32/31/91/967323191.db2.gz ZVCDUCCTHLFNAV-JSGCOSHPSA-N 2 1 218.344 2.307 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)oc1C ZINC001205094459 967336263 /nfs/dbraw/zinc/33/62/63/967336263.db2.gz MJNQXKQQXTWRHP-LBPRGKRZSA-N 2 1 222.332 2.210 20 0 BEADMP Cc1ccc(CCC[N@H+]2CCC[C@@H]([NH3+])CC2)o1 ZINC001205093850 967339682 /nfs/dbraw/zinc/33/96/82/967339682.db2.gz GPDBLQUPGYBFRM-CYBMUJFWSA-N 2 1 236.359 2.334 20 0 BEADMP CCOc1ccccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205095579 967339964 /nfs/dbraw/zinc/33/99/64/967339964.db2.gz ZMHBBPNMLHBJCG-CQSZACIVSA-N 2 1 248.370 2.399 20 0 BEADMP Cc1cccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1F ZINC001205103067 967349751 /nfs/dbraw/zinc/34/97/51/967349751.db2.gz XURVOYHCCBIPIA-ZDUSSCGKSA-N 2 1 236.334 2.447 20 0 BEADMP Cc1sccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205123975 967351030 /nfs/dbraw/zinc/35/10/30/967351030.db2.gz IAYJVZQVNWIHQP-GFCCVEGCSA-N 2 1 224.373 2.370 20 0 BEADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c(F)c1 ZINC001205109474 967352534 /nfs/dbraw/zinc/35/25/34/967352534.db2.gz GTKXEIIVQGHYED-CYBMUJFWSA-N 2 1 236.334 2.447 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(F)c1 ZINC001205109474 967352545 /nfs/dbraw/zinc/35/25/45/967352545.db2.gz GTKXEIIVQGHYED-CYBMUJFWSA-N 2 1 236.334 2.447 20 0 BEADMP COc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)ccc1C ZINC001205109070 967355052 /nfs/dbraw/zinc/35/50/52/967355052.db2.gz AHAUBAUCSQUAFY-AWEZNQCLSA-N 2 1 248.370 2.317 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc(C)n1 ZINC001205116894 967363855 /nfs/dbraw/zinc/36/38/55/967363855.db2.gz IRGUOCRMCZETLG-CQSZACIVSA-N 2 1 233.359 2.012 20 0 BEADMP CCc1ncc(C[N@@H+]2CCC[C@H]([NH3+])CC2)s1 ZINC001205124512 967371936 /nfs/dbraw/zinc/37/19/36/967371936.db2.gz TVDUDUSWBZGZDW-JTQLQIEISA-N 2 1 239.388 2.019 20 0 BEADMP CCc1ncc(C[N@H+]2CCC[C@H]([NH3+])CC2)s1 ZINC001205124512 967371946 /nfs/dbraw/zinc/37/19/46/967371946.db2.gz TVDUDUSWBZGZDW-JTQLQIEISA-N 2 1 239.388 2.019 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccc3occc3c2)C[C@H]1C[NH3+] ZINC001205136280 967381388 /nfs/dbraw/zinc/38/13/88/967381388.db2.gz VIPLXRDAMHAWLK-SMDDNHRTSA-N 2 1 244.338 2.459 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)[nH]2)C[C@H]1C[NH3+] ZINC001205136308 967382554 /nfs/dbraw/zinc/38/25/54/967382554.db2.gz XFNBRVMJYHXHKH-NWDGAFQWSA-N 2 1 249.402 2.339 20 0 BEADMP Cc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(C)cc1O ZINC001205140468 967385980 /nfs/dbraw/zinc/38/59/80/967385980.db2.gz IGASGRWJWYSSAD-GXTWGEPZSA-N 2 1 248.370 2.036 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CCCC1CCCC1 ZINC001205170672 967406614 /nfs/dbraw/zinc/40/66/14/967406614.db2.gz AWOPEUVDTAXNLV-DGCLKSJQSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCCC1CCCC1 ZINC001205170672 967406621 /nfs/dbraw/zinc/40/66/21/967406621.db2.gz AWOPEUVDTAXNLV-DGCLKSJQSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@@]1([NH3+])CCC[N@@H+](CCCc2ccncc2)CC1 ZINC001205257524 967444262 /nfs/dbraw/zinc/44/42/62/967444262.db2.gz WFUIILQEJSQIHB-OAHLLOKOSA-N 2 1 247.386 2.218 20 0 BEADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc(O)c2)CC1 ZINC001205266746 967457526 /nfs/dbraw/zinc/45/75/26/967457526.db2.gz XDPRLQDDQVOWBJ-CQSZACIVSA-N 2 1 234.343 2.096 20 0 BEADMP Cc1ccncc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205273146 967465853 /nfs/dbraw/zinc/46/58/53/967465853.db2.gz GBLATKZTHHJFAH-AWEZNQCLSA-N 2 1 233.359 2.093 20 0 BEADMP C[C@]1([NH3+])CCC[N@@H+](CC2OC=CC2=S)CC1 ZINC001205288347 967480841 /nfs/dbraw/zinc/48/08/41/967480841.db2.gz JELXOUNTJHRTGI-LBPRGKRZSA-N 2 1 240.372 2.272 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)cn1 ZINC001205289214 967482830 /nfs/dbraw/zinc/48/28/30/967482830.db2.gz UZOILGKDWRIMOF-HNNXBMFYSA-N 2 1 247.386 2.402 20 0 BEADMP CNc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC001205315395 967524474 /nfs/dbraw/zinc/52/44/74/967524474.db2.gz FXWHCPLFYRNEKU-JSGCOSHPSA-N 2 1 247.386 2.145 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[NH2+]CC[C@H]1C ZINC001205324407 967541334 /nfs/dbraw/zinc/54/13/34/967541334.db2.gz AUXXCVVUVOMHPW-CYBMUJFWSA-N 2 1 232.371 2.433 20 0 BEADMP CCc1ccc[nH+]c1NCCCC[NH+](C)C ZINC001161725471 967620640 /nfs/dbraw/zinc/62/06/40/967620640.db2.gz ZDHRHFVATPKLTG-UHFFFAOYSA-N 2 1 221.348 2.398 20 0 BEADMP C[C@@H]1CC[N@@H+](CC(C)(C)C)CC[C@@H]1C[NH3+] ZINC001205599966 967719474 /nfs/dbraw/zinc/71/94/74/967719474.db2.gz ATMOFOCWWZEMDQ-VXGBXAGGSA-N 2 1 212.381 2.339 20 0 BEADMP Cc1cnccc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205602629 967717666 /nfs/dbraw/zinc/71/76/66/967717666.db2.gz KSPGCQQEZVNOMB-JSGCOSHPSA-N 2 1 247.386 2.197 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC001205603627 967718401 /nfs/dbraw/zinc/71/84/01/967718401.db2.gz RHXGYYZFKVABAN-UKRRQHHQSA-N 2 1 232.371 2.493 20 0 BEADMP C[C@@H]1CC[N@@H+](CCC(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205601786 967718475 /nfs/dbraw/zinc/71/84/75/967718475.db2.gz GKLZGIBPLFDCLZ-NXEZZACHSA-N 2 1 238.297 2.246 20 0 BEADMP CSCCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205603585 967718534 /nfs/dbraw/zinc/71/85/34/967718534.db2.gz QOUFCKSHKPOONP-RYUDHWBXSA-N 2 1 230.421 2.046 20 0 BEADMP CS[C@H](C)CC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205602588 967719059 /nfs/dbraw/zinc/71/90/59/967719059.db2.gz KBRQRGRPMILCNH-XQQFMLRXSA-N 2 1 244.448 2.435 20 0 BEADMP C[C@H]1CC[N@@H+](CC2CCCC2)CC[C@@H]1C[NH3+] ZINC001205603034 967720723 /nfs/dbraw/zinc/72/07/23/967720723.db2.gz NDLGWDRBHQXXMY-GXTWGEPZSA-N 2 1 224.392 2.483 20 0 BEADMP Cc1cncc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205617584 967725465 /nfs/dbraw/zinc/72/54/65/967725465.db2.gz LCGYTXNEGSYDRW-UKRRQHHQSA-N 2 1 247.386 2.197 20 0 BEADMP CCCCNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001162203821 967732644 /nfs/dbraw/zinc/73/26/44/967732644.db2.gz CCQDLPKGFNHUPA-UHFFFAOYSA-N 2 1 244.342 2.233 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cn1 ZINC001205626317 967735714 /nfs/dbraw/zinc/73/57/14/967735714.db2.gz FQTMEXMALQDEKU-IUODEOHRSA-N 2 1 247.386 2.197 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cn1 ZINC001205626316 967736945 /nfs/dbraw/zinc/73/69/45/967736945.db2.gz FQTMEXMALQDEKU-DOMZBBRYSA-N 2 1 247.386 2.197 20 0 BEADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1CCC(C)(C)C ZINC001205902201 967876862 /nfs/dbraw/zinc/87/68/62/967876862.db2.gz IPVCJWQKXORWNY-NEPJUHHUSA-N 2 1 212.381 2.482 20 0 BEADMP COC(C)(C)CC[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205981914 967926993 /nfs/dbraw/zinc/92/69/93/967926993.db2.gz JBPQENOEYBIOTN-OLZOCXBDSA-N 2 1 242.407 2.108 20 0 BEADMP C[C@H]1CC[N@@H+](CCCC[NH3+])CCC1(F)F ZINC001205982177 967928835 /nfs/dbraw/zinc/92/88/35/967928835.db2.gz LIBFOKIILFYUHU-JTQLQIEISA-N 2 1 220.307 2.093 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)o1 ZINC001205983919 967932607 /nfs/dbraw/zinc/93/26/07/967932607.db2.gz QGKOCEMIQVKVJL-DGCLKSJQSA-N 2 1 236.359 2.395 20 0 BEADMP C[C@@H]1C[N@@H+](CCC(F)(F)F)CCC[C@H]1C[NH3+] ZINC001205984636 967933320 /nfs/dbraw/zinc/93/33/20/967933320.db2.gz SQWMARVTWJOKTJ-ZJUUUORDSA-N 2 1 238.297 2.246 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)[nH]1 ZINC001205991330 967938324 /nfs/dbraw/zinc/93/83/24/967938324.db2.gz ACJOBCMETNYTFQ-TZMCWYRMSA-N 2 1 249.402 2.438 20 0 BEADMP Cc1ncccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205991436 967939973 /nfs/dbraw/zinc/93/99/73/967939973.db2.gz ASKJQXBHIASASS-OCCSQVGLSA-N 2 1 247.386 2.197 20 0 BEADMP Cc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC001205992542 967941411 /nfs/dbraw/zinc/94/14/11/967941411.db2.gz FFFFWJSCFQMICT-JSGCOSHPSA-N 2 1 247.386 2.197 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)[nH]1 ZINC001205991321 967944355 /nfs/dbraw/zinc/94/43/55/967944355.db2.gz ACJOBCMETNYTFQ-GXTWGEPZSA-N 2 1 249.402 2.438 20 0 BEADMP Cc1ncccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205991433 967944943 /nfs/dbraw/zinc/94/49/43/967944943.db2.gz ASKJQXBHIASASS-JSGCOSHPSA-N 2 1 247.386 2.197 20 0 BEADMP C[C@H]1C[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)CCC[C@@H]1C ZINC001206109602 968066005 /nfs/dbraw/zinc/06/60/05/968066005.db2.gz DEBMAQMUWMZXTR-AVGNSLFASA-N 2 1 240.391 2.079 20 0 BEADMP C[C@H]1C[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)CCC[C@@H]1C ZINC001206109602 968066016 /nfs/dbraw/zinc/06/60/16/968066016.db2.gz DEBMAQMUWMZXTR-AVGNSLFASA-N 2 1 240.391 2.079 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC2(F)CC[NH2+]CC2)C[C@H]1C ZINC001206110292 968071501 /nfs/dbraw/zinc/07/15/01/968071501.db2.gz SPFRZHIIOFUONI-CHWSQXEVSA-N 2 1 242.382 2.446 20 0 BEADMP C[NH2+]CCC[N@@H+]1CCc2ccsc2[C@@H]1C ZINC000712268226 968104077 /nfs/dbraw/zinc/10/40/77/968104077.db2.gz SIQIJCNMTUBZJT-JTQLQIEISA-N 2 1 224.373 2.277 20 0 BEADMP C[NH2+]CCC[N@H+]1CCc2ccsc2[C@@H]1C ZINC000712268226 968104084 /nfs/dbraw/zinc/10/40/84/968104084.db2.gz SIQIJCNMTUBZJT-JTQLQIEISA-N 2 1 224.373 2.277 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206166778 968104850 /nfs/dbraw/zinc/10/48/50/968104850.db2.gz UVUGXABKFXYGCU-KGLIPLIRSA-N 2 1 236.334 2.256 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206166778 968104863 /nfs/dbraw/zinc/10/48/63/968104863.db2.gz UVUGXABKFXYGCU-KGLIPLIRSA-N 2 1 236.334 2.256 20 0 BEADMP C[C@@]1(C[NH3+])CCC[N@@H+](C[C@@H]2CCCCO2)CC1 ZINC001206297261 968204784 /nfs/dbraw/zinc/20/47/84/968204784.db2.gz XAJUKPBXVFTJBG-UONOGXRCSA-N 2 1 240.391 2.006 20 0 BEADMP C[C@]1(C[NH3+])CCC[N@@H+](C[C@@H]2CCCCO2)CC1 ZINC001206297258 968207256 /nfs/dbraw/zinc/20/72/56/968207256.db2.gz XAJUKPBXVFTJBG-KBPBESRZSA-N 2 1 240.391 2.006 20 0 BEADMP Cc1ncccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206304623 968211254 /nfs/dbraw/zinc/21/12/54/968211254.db2.gz NLYMULMZDJNRMT-OAHLLOKOSA-N 2 1 247.386 2.341 20 0 BEADMP Cc1ccncc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206310830 968218355 /nfs/dbraw/zinc/21/83/55/968218355.db2.gz DAHLHSCCWFBVJI-HNNXBMFYSA-N 2 1 247.386 2.341 20 0 BEADMP Cc1ccc(C)c(Nc2cc[nH+]c(N)c2)[nH+]1 ZINC001206528208 968355852 /nfs/dbraw/zinc/35/58/52/968355852.db2.gz HMDZOCBRGKAYHJ-UHFFFAOYSA-N 2 1 214.272 2.419 20 0 BEADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccnc2)C1 ZINC001206541767 968365953 /nfs/dbraw/zinc/36/59/53/968365953.db2.gz JSGSHHSZLKYQKT-CQSZACIVSA-N 2 1 233.359 2.033 20 0 BEADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccccn2)C1 ZINC001206540179 968368184 /nfs/dbraw/zinc/36/81/84/968368184.db2.gz BAKPKQLVMVHUHE-AWEZNQCLSA-N 2 1 233.359 2.033 20 0 BEADMP C[C@H](C[N@H+]1CCCC[C@H](C[NH3+])C1)C(F)(F)F ZINC001206606257 968415889 /nfs/dbraw/zinc/41/58/89/968415889.db2.gz IHCKOZFZPYFVED-NXEZZACHSA-N 2 1 238.297 2.246 20 0 BEADMP Cc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)ccc1O ZINC001206622385 968424655 /nfs/dbraw/zinc/42/46/55/968424655.db2.gz BBENJEMMSLBWDW-CQSZACIVSA-N 2 1 248.370 2.261 20 0 BEADMP Cc1cc(C)c(C[NH+]2CC(C)(C[NH3+])C2)c(C)c1 ZINC001206711608 968437115 /nfs/dbraw/zinc/43/71/15/968437115.db2.gz LPKFOVKHPKHQGT-UHFFFAOYSA-N 2 1 232.371 2.392 20 0 BEADMP CC1(C[NH3+])C[NH+](Cc2cccc3cccnc32)C1 ZINC001206718640 968442268 /nfs/dbraw/zinc/44/22/68/968442268.db2.gz XDQCZNBIZIQJAR-UHFFFAOYSA-N 2 1 241.338 2.015 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000823764941 968561008 /nfs/dbraw/zinc/56/10/08/968561008.db2.gz PINHXZJIRRAWPS-OUCADQQQSA-N 2 1 220.360 2.025 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001207279385 968714083 /nfs/dbraw/zinc/71/40/83/968714083.db2.gz LGKQPDXVJGACIH-LLVKDONJSA-N 2 1 200.370 2.305 20 0 BEADMP CC[N@H+](Cc1ccncc1)CC(C)(C)C[NH+](C)C ZINC001207276002 968709939 /nfs/dbraw/zinc/70/99/39/968709939.db2.gz RWFKEFBVFJWFBK-UHFFFAOYSA-N 2 1 249.402 2.491 20 0 BEADMP CC[N@@H+](Cc1ccncc1)CC(C)(C)C[NH+](C)C ZINC001207276002 968709949 /nfs/dbraw/zinc/70/99/49/968709949.db2.gz RWFKEFBVFJWFBK-UHFFFAOYSA-N 2 1 249.402 2.491 20 0 BEADMP C[C@H]1CCCC[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207276478 968713802 /nfs/dbraw/zinc/71/38/02/968713802.db2.gz XSERGBYWXTZCHD-LBPRGKRZSA-N 2 1 212.381 2.449 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@@H+](C)CCc1cccnc1 ZINC001207285454 968720145 /nfs/dbraw/zinc/72/01/45/968720145.db2.gz KQKGZKPXRHPOBY-UHFFFAOYSA-N 2 1 249.402 2.144 20 0 BEADMP C[NH+]1CCC(C[N@@H+]2Cc3cccc(F)c3C2)CC1 ZINC001207398658 968750767 /nfs/dbraw/zinc/75/07/67/968750767.db2.gz HCHUETXQCRDYSK-UHFFFAOYSA-N 2 1 248.345 2.483 20 0 BEADMP C[NH+]1CCC(C[N@H+]2Cc3cccc(F)c3C2)CC1 ZINC001207398658 968750771 /nfs/dbraw/zinc/75/07/71/968750771.db2.gz HCHUETXQCRDYSK-UHFFFAOYSA-N 2 1 248.345 2.483 20 0 BEADMP c1ccc([C@H]2CC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC001207439074 968775927 /nfs/dbraw/zinc/77/59/27/968775927.db2.gz KSTBVWUMHDDKEX-OAHLLOKOSA-N 2 1 230.355 2.433 20 0 BEADMP CC[C@@H]1CC[N@@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207488049 968802951 /nfs/dbraw/zinc/80/29/51/968802951.db2.gz DDQZNSJANXOYNV-CYBMUJFWSA-N 2 1 224.392 2.450 20 0 BEADMP CCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001207836122 968897060 /nfs/dbraw/zinc/89/70/60/968897060.db2.gz GUTOINZQDWKYHI-RFQIPJPRSA-N 2 1 224.392 2.495 20 0 BEADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@](C)(CF)C2)CC1 ZINC001208107907 969000796 /nfs/dbraw/zinc/00/07/96/969000796.db2.gz MEVLHURLISYTHN-AWEZNQCLSA-N 2 1 242.382 2.400 20 0 BEADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001208110477 969005217 /nfs/dbraw/zinc/00/52/17/969005217.db2.gz DJWGWUVPHLZBFF-OLZOCXBDSA-N 2 1 222.376 2.203 20 0 BEADMP CC1=C[C@@H](C)[C@@H](C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CC1 ZINC001208181609 969113234 /nfs/dbraw/zinc/11/32/34/969113234.db2.gz OKCOTTZFQXUUFF-FPCVCCKLSA-N 2 1 248.414 2.472 20 0 BEADMP CC1=C[C@@H](C)[C@@H](C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CC1 ZINC001208181609 969113241 /nfs/dbraw/zinc/11/32/41/969113241.db2.gz OKCOTTZFQXUUFF-FPCVCCKLSA-N 2 1 248.414 2.472 20 0 BEADMP CSCC[N@@H+](C)CC1(C[NH+](C)C)CCCC1 ZINC001208187832 969118874 /nfs/dbraw/zinc/11/88/74/969118874.db2.gz PFBYIZGPTFAZIH-UHFFFAOYSA-N 2 1 244.448 2.403 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001208592479 969146681 /nfs/dbraw/zinc/14/66/81/969146681.db2.gz JDRVXAXZTWLBQM-YPMHNXCESA-N 2 1 228.355 2.008 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](C)[C@H](F)C2)CC1 ZINC001208592025 969149139 /nfs/dbraw/zinc/14/91/39/969149139.db2.gz BATLXMGYRLGXNN-TZMCWYRMSA-N 2 1 242.382 2.398 20 0 BEADMP CC[NH+]1CCC(C[N@@H+](C)C2CC(F)(F)C2)CC1 ZINC001208595207 969151791 /nfs/dbraw/zinc/15/17/91/969151791.db2.gz SEBHQHLLVDQBEQ-UHFFFAOYSA-N 2 1 246.345 2.448 20 0 BEADMP C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H](F)C2)C1 ZINC001208606493 969158485 /nfs/dbraw/zinc/15/84/85/969158485.db2.gz HBDNGYRIMIVKMC-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H](F)C2)C1 ZINC001208606493 969158488 /nfs/dbraw/zinc/15/84/88/969158488.db2.gz HBDNGYRIMIVKMC-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H](F)C2)C1 ZINC001208606493 969158492 /nfs/dbraw/zinc/15/84/92/969158492.db2.gz HBDNGYRIMIVKMC-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@H](F)CC2)C1 ZINC001208608845 969166731 /nfs/dbraw/zinc/16/67/31/969166731.db2.gz XCVFBYCEANEECL-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@H](F)CC2)C1 ZINC001208608845 969166739 /nfs/dbraw/zinc/16/67/39/969166739.db2.gz XCVFBYCEANEECL-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@H](F)CC2)C1 ZINC001208608845 969166749 /nfs/dbraw/zinc/16/67/49/969166749.db2.gz XCVFBYCEANEECL-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH+](C)C2)[C@H]1C ZINC001208610187 969169653 /nfs/dbraw/zinc/16/96/53/969169653.db2.gz ZQENPLKDWSZHLX-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](C)C2)[C@H]1C ZINC001208610187 969169656 /nfs/dbraw/zinc/16/96/56/969169656.db2.gz ZQENPLKDWSZHLX-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CCC[NH+](C[C@@H]2CCC[N@H+](C)C2)[C@H]1C ZINC001208610187 969169658 /nfs/dbraw/zinc/16/96/58/969169658.db2.gz ZQENPLKDWSZHLX-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](C)C2)[C@H]1C ZINC001208610187 969169662 /nfs/dbraw/zinc/16/96/62/969169662.db2.gz ZQENPLKDWSZHLX-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[N@H+](CC1CC1)C[C@H]1CCC[NH+](C)C1 ZINC001208609682 969171050 /nfs/dbraw/zinc/17/10/50/969171050.db2.gz VRLATPOJMLCTLR-AWEZNQCLSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[N@@H+](CC1CC1)C[C@H]1CCC[NH+](C)C1 ZINC001208609682 969171052 /nfs/dbraw/zinc/17/10/52/969171052.db2.gz VRLATPOJMLCTLR-AWEZNQCLSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[NH+](CC1CC1)C[C@H]1CCC[N@H+](C)C1 ZINC001208609682 969171056 /nfs/dbraw/zinc/17/10/56/969171056.db2.gz VRLATPOJMLCTLR-AWEZNQCLSA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@H+](CCCC(C)C)C[C@@H]2C1 ZINC001208737759 969225692 /nfs/dbraw/zinc/22/56/92/969225692.db2.gz ZZNVXJRNMSEDCP-OKILXGFUSA-N 2 1 224.392 2.306 20 0 BEADMP CC[N@@H+]1C[C@@H]2C[NH+](CCCC(C)C)C[C@@H]2C1 ZINC001208737759 969225679 /nfs/dbraw/zinc/22/56/79/969225679.db2.gz ZZNVXJRNMSEDCP-OKILXGFUSA-N 2 1 224.392 2.306 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+](CCCC(C)C)C[C@@H]2C1 ZINC001208737759 969225682 /nfs/dbraw/zinc/22/56/82/969225682.db2.gz ZZNVXJRNMSEDCP-OKILXGFUSA-N 2 1 224.392 2.306 20 0 BEADMP C[C@H]1C[N@@H+](Cc2cccc(O)c2)CCC[C@@H]1C[NH3+] ZINC001205994857 969250608 /nfs/dbraw/zinc/25/06/08/969250608.db2.gz MRXXEWXQTKUXRF-GXTWGEPZSA-N 2 1 248.370 2.199 20 0 BEADMP CC1C[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208946522 969311367 /nfs/dbraw/zinc/31/13/67/969311367.db2.gz HSGMGKVWQJZALZ-MRXNPFEDSA-N 2 1 244.382 2.460 20 0 BEADMP CCOC(C)(C)C[N@@H+](CC)CCC[NH+](C)C ZINC001209076542 969348860 /nfs/dbraw/zinc/34/88/60/969348860.db2.gz NLMNRMAAJQDZQL-UHFFFAOYSA-N 2 1 230.396 2.075 20 0 BEADMP Cc1cccnc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205996550 969352424 /nfs/dbraw/zinc/35/24/24/969352424.db2.gz XEXVYGVTGIQLPQ-ZIAGYGMSSA-N 2 1 247.386 2.197 20 0 BEADMP CN1CCC([N@@H+](C)CCCc2cccnc2)CC1 ZINC001209171919 969369525 /nfs/dbraw/zinc/36/95/25/969369525.db2.gz FJFXTZDRNLQCBB-UHFFFAOYSA-N 2 1 247.386 2.040 20 0 BEADMP C[N@H+](CCCc1cccnc1)C1CC[NH+](C)CC1 ZINC001209171919 969369527 /nfs/dbraw/zinc/36/95/27/969369527.db2.gz FJFXTZDRNLQCBB-UHFFFAOYSA-N 2 1 247.386 2.040 20 0 BEADMP C[N@@H+](CCCc1cccnc1)C1CC[NH+](C)CC1 ZINC001209171919 969369533 /nfs/dbraw/zinc/36/95/33/969369533.db2.gz FJFXTZDRNLQCBB-UHFFFAOYSA-N 2 1 247.386 2.040 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(O)c1)C2 ZINC001169095687 969386799 /nfs/dbraw/zinc/38/67/99/969386799.db2.gz QZKCQTQVMXTOTC-BTTYYORXSA-N 2 1 246.354 2.107 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(O)c1)C2 ZINC001169095687 969386804 /nfs/dbraw/zinc/38/68/04/969386804.db2.gz QZKCQTQVMXTOTC-BTTYYORXSA-N 2 1 246.354 2.107 20 0 BEADMP CCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099620 969391827 /nfs/dbraw/zinc/39/18/27/969391827.db2.gz CPXDLEUJNIEIRU-RVMXOQNASA-N 2 1 210.365 2.390 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C1CC1)C1CC1)C2 ZINC001169098163 969392383 /nfs/dbraw/zinc/39/23/83/969392383.db2.gz GHMNZECHUHLJQE-ZSOGYDGISA-N 2 1 234.387 2.390 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[Si](C)(C)C)C2 ZINC001169101188 969397013 /nfs/dbraw/zinc/39/70/13/969397013.db2.gz OVQYXXJIRYIMJY-ZSBIGDGJSA-N 2 1 226.440 2.079 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[Si](C)(C)C)C2 ZINC001169101188 969397021 /nfs/dbraw/zinc/39/70/21/969397021.db2.gz OVQYXXJIRYIMJY-ZSBIGDGJSA-N 2 1 226.440 2.079 20 0 BEADMP CC[C@H](C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078821 969397946 /nfs/dbraw/zinc/39/79/46/969397946.db2.gz HNSQLEUDVURXFO-RVMXOQNASA-N 2 1 210.365 2.247 20 0 BEADMP Cc1occc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169102284 969399351 /nfs/dbraw/zinc/39/93/51/969399351.db2.gz YXXHJTKDAIQALF-ZSOGYDGISA-N 2 1 234.343 2.303 20 0 BEADMP Cc1occc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169102284 969399357 /nfs/dbraw/zinc/39/93/57/969399357.db2.gz YXXHJTKDAIQALF-ZSOGYDGISA-N 2 1 234.343 2.303 20 0 BEADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001169080442 969401829 /nfs/dbraw/zinc/40/18/29/969401829.db2.gz NMYGGOLFSINENC-MHEUCROKSA-N 2 1 245.370 2.357 20 0 BEADMP CC1CC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169079749 969402828 /nfs/dbraw/zinc/40/28/28/969402828.db2.gz LAKULXNWGDZRAG-MOIJGLSHSA-N 2 1 222.376 2.247 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=[NH2+])C(C)(C)C)C2 ZINC001169081520 969404046 /nfs/dbraw/zinc/40/40/46/969404046.db2.gz SHASHOSWQOJNJO-RTCCRHLQSA-N 2 1 223.364 2.225 20 0 BEADMP CC(C)[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169080946 969404737 /nfs/dbraw/zinc/40/47/37/969404737.db2.gz NYAKOTKWVZUILG-RVMXOQNASA-N 2 1 210.365 2.246 20 0 BEADMP C[C@@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123346 969417917 /nfs/dbraw/zinc/41/79/17/969417917.db2.gz JSOKWXSKXYEIOD-FVCCEPFGSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@@H]1CCC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123346 969417923 /nfs/dbraw/zinc/41/79/23/969417923.db2.gz JSOKWXSKXYEIOD-FVCCEPFGSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@@H]1CCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169123346 969417927 /nfs/dbraw/zinc/41/79/27/969417927.db2.gz JSOKWXSKXYEIOD-FVCCEPFGSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@@H]1CCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169123346 969417929 /nfs/dbraw/zinc/41/79/29/969417929.db2.gz JSOKWXSKXYEIOD-FVCCEPFGSA-N 2 1 208.349 2.096 20 0 BEADMP CC[N@H+](C(C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123948 969419759 /nfs/dbraw/zinc/41/97/59/969419759.db2.gz NSBCIVNAOVATSL-CLLJXQQHSA-N 2 1 210.365 2.342 20 0 BEADMP CC[N@@H+](C(C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123948 969419762 /nfs/dbraw/zinc/41/97/62/969419762.db2.gz NSBCIVNAOVATSL-CLLJXQQHSA-N 2 1 210.365 2.342 20 0 BEADMP CC[NH+](C(C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169123948 969419767 /nfs/dbraw/zinc/41/97/67/969419767.db2.gz NSBCIVNAOVATSL-CLLJXQQHSA-N 2 1 210.365 2.342 20 0 BEADMP CC[NH+](C(C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169123948 969419775 /nfs/dbraw/zinc/41/97/75/969419775.db2.gz NSBCIVNAOVATSL-CLLJXQQHSA-N 2 1 210.365 2.342 20 0 BEADMP CC1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169125268 969424113 /nfs/dbraw/zinc/42/41/13/969424113.db2.gz XSJFPIJDTYLEML-BTTYYORXSA-N 2 1 222.376 2.344 20 0 BEADMP CC1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169125269 969426817 /nfs/dbraw/zinc/42/68/17/969426817.db2.gz XSJFPIJDTYLEML-WDNDVIMCSA-N 2 1 222.376 2.344 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H](F)CC1)C2 ZINC001169124922 969428274 /nfs/dbraw/zinc/42/82/74/969428274.db2.gz HDTROSXKIQMMOY-YIYPIFLZSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](F)CC1)C2 ZINC001169124922 969428278 /nfs/dbraw/zinc/42/82/78/969428278.db2.gz HDTROSXKIQMMOY-YIYPIFLZSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H](F)CC1)C2 ZINC001169124922 969428284 /nfs/dbraw/zinc/42/82/84/969428284.db2.gz HDTROSXKIQMMOY-YIYPIFLZSA-N 2 1 240.366 2.436 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC3(CCC3)C1)C2 ZINC001169131182 969442450 /nfs/dbraw/zinc/44/24/50/969442450.db2.gz REISESMQUMFHCL-ITGUQSILSA-N 2 1 220.360 2.098 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1Cc3ccncc3C1)C2 ZINC001169142319 969451787 /nfs/dbraw/zinc/45/17/87/969451787.db2.gz TUBQULHGCYYCIX-QDMKHBRRSA-N 2 1 243.354 2.022 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CCC3)C1)C2 ZINC001169146442 969468014 /nfs/dbraw/zinc/46/80/14/969468014.db2.gz PPFQJBLAOFVQOQ-WDNDVIMCSA-N 2 1 234.387 2.488 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC3(CCC3)C1)C2 ZINC001169146442 969468024 /nfs/dbraw/zinc/46/80/24/969468024.db2.gz PPFQJBLAOFVQOQ-WDNDVIMCSA-N 2 1 234.387 2.488 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC3(CCC3)C1)C2 ZINC001169146442 969468035 /nfs/dbraw/zinc/46/80/35/969468035.db2.gz PPFQJBLAOFVQOQ-WDNDVIMCSA-N 2 1 234.387 2.488 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](CC1CC1)C1CC1)C2 ZINC001169153577 969472761 /nfs/dbraw/zinc/47/27/61/969472761.db2.gz LAVCBUMNKWNGIG-FICVDOATSA-N 2 1 234.387 2.486 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](CC1CC1)C1CC1)C2 ZINC001169153577 969472780 /nfs/dbraw/zinc/47/27/80/969472780.db2.gz LAVCBUMNKWNGIG-FICVDOATSA-N 2 1 234.387 2.486 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+](CC1CC1)C1CC1)C2 ZINC001169153577 969472790 /nfs/dbraw/zinc/47/27/90/969472790.db2.gz LAVCBUMNKWNGIG-FICVDOATSA-N 2 1 234.387 2.486 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](CC1CC1)C1CC1)C2 ZINC001169153577 969472805 /nfs/dbraw/zinc/47/28/05/969472805.db2.gz LAVCBUMNKWNGIG-FICVDOATSA-N 2 1 234.387 2.486 20 0 BEADMP CC[NH+]1CCC([N@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001169265029 969524782 /nfs/dbraw/zinc/52/47/82/969524782.db2.gz KYHPNBOUWCTIOO-BETUJISGSA-N 2 1 222.376 2.059 20 0 BEADMP CC[NH+]1CCC([N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001169265029 969524791 /nfs/dbraw/zinc/52/47/91/969524791.db2.gz KYHPNBOUWCTIOO-BETUJISGSA-N 2 1 222.376 2.059 20 0 BEADMP CC[NH+]1CCC([NH2+]C2(CC3CC3)CC2)CC1 ZINC001169242122 969529052 /nfs/dbraw/zinc/52/90/52/969529052.db2.gz WRZUGHHUVCRRBO-UHFFFAOYSA-N 2 1 222.376 2.393 20 0 BEADMP CC[NH+]1CCC([N@@H+]2CCC(F)(F)[C@H](C)C2)CC1 ZINC001169245683 969535503 /nfs/dbraw/zinc/53/55/03/969535503.db2.gz HHHSRCAPFSFODR-LLVKDONJSA-N 2 1 246.345 2.448 20 0 BEADMP CC[NH+]1CCC([N@H+]2CCC(F)(F)[C@H](C)C2)CC1 ZINC001169245683 969535507 /nfs/dbraw/zinc/53/55/07/969535507.db2.gz HHHSRCAPFSFODR-LLVKDONJSA-N 2 1 246.345 2.448 20 0 BEADMP CC[C@H]1CCC[N@@H+]1C1CC[NH+](CC)CC1 ZINC001169258220 969543177 /nfs/dbraw/zinc/54/31/77/969543177.db2.gz GXVFCGOMQZPZJQ-LBPRGKRZSA-N 2 1 210.365 2.345 20 0 BEADMP CC[C@H]1CCC[N@H+]1C1CC[NH+](CC)CC1 ZINC001169258220 969543181 /nfs/dbraw/zinc/54/31/81/969543181.db2.gz GXVFCGOMQZPZJQ-LBPRGKRZSA-N 2 1 210.365 2.345 20 0 BEADMP CC[NH+]1CCC([N@@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC001169258356 969545003 /nfs/dbraw/zinc/54/50/03/969545003.db2.gz JPKUGMBHHOKQQJ-GFCCVEGCSA-N 2 1 244.329 2.202 20 0 BEADMP CC[NH+]1CCC([N@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC001169258356 969545008 /nfs/dbraw/zinc/54/50/08/969545008.db2.gz JPKUGMBHHOKQQJ-GFCCVEGCSA-N 2 1 244.329 2.202 20 0 BEADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001209728115 969579422 /nfs/dbraw/zinc/57/94/22/969579422.db2.gz CVFZKXAUAFURLY-NEPJUHHUSA-N 2 1 231.343 2.116 20 0 BEADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001209728115 969579432 /nfs/dbraw/zinc/57/94/32/969579432.db2.gz CVFZKXAUAFURLY-NEPJUHHUSA-N 2 1 231.343 2.116 20 0 BEADMP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001209730793 969588188 /nfs/dbraw/zinc/58/81/88/969588188.db2.gz IVZHKMCPNYQDBI-FZMZJTMJSA-N 2 1 231.343 2.259 20 0 BEADMP Nc1cc[nH+]cc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001209730793 969588195 /nfs/dbraw/zinc/58/81/95/969588195.db2.gz IVZHKMCPNYQDBI-FZMZJTMJSA-N 2 1 231.343 2.259 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+]C(C)(C)c2cccnc2)CC1 ZINC001254498160 969657675 /nfs/dbraw/zinc/65/76/75/969657675.db2.gz TXYZGSVAIPFSED-CQSZACIVSA-N 2 1 247.386 2.391 20 0 BEADMP C[N@@H+]1CCC[C@@H]([NH2+]C2(c3cccnc3)CC2)CC1 ZINC001254507527 969681719 /nfs/dbraw/zinc/68/17/19/969681719.db2.gz MCHDQPDUJRVRKY-CQSZACIVSA-N 2 1 245.370 2.145 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+]C2(c3cccnc3)CC2)CC1 ZINC001254507527 969681728 /nfs/dbraw/zinc/68/17/28/969681728.db2.gz MCHDQPDUJRVRKY-CQSZACIVSA-N 2 1 245.370 2.145 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2CCCC23CC3)CC1 ZINC001254515719 969688707 /nfs/dbraw/zinc/68/87/07/969688707.db2.gz BHWDFPVYUPVLDB-LBPRGKRZSA-N 2 1 208.349 2.099 20 0 BEADMP C[NH+]1CCC[C@H]([N@@H+]2CCCC23CC3)CC1 ZINC001254515719 969688717 /nfs/dbraw/zinc/68/87/17/969688717.db2.gz BHWDFPVYUPVLDB-LBPRGKRZSA-N 2 1 208.349 2.099 20 0 BEADMP C[NH+]1CCC[C@H]([N@H+]2CCCC23CC3)CC1 ZINC001254515719 969688725 /nfs/dbraw/zinc/68/87/25/969688725.db2.gz BHWDFPVYUPVLDB-LBPRGKRZSA-N 2 1 208.349 2.099 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2CCCC23CC3)CC1 ZINC001254515718 969692018 /nfs/dbraw/zinc/69/20/18/969692018.db2.gz BHWDFPVYUPVLDB-GFCCVEGCSA-N 2 1 208.349 2.099 20 0 BEADMP C[NH+]1CCC[C@@H]([N@@H+]2CCCC23CC3)CC1 ZINC001254515718 969692028 /nfs/dbraw/zinc/69/20/28/969692028.db2.gz BHWDFPVYUPVLDB-GFCCVEGCSA-N 2 1 208.349 2.099 20 0 BEADMP C[NH+]1CCC[C@@H]([N@H+]2CCCC23CC3)CC1 ZINC001254515718 969692033 /nfs/dbraw/zinc/69/20/33/969692033.db2.gz BHWDFPVYUPVLDB-GFCCVEGCSA-N 2 1 208.349 2.099 20 0 BEADMP C[N@@H+](C[C@@H]1CC1(C)C)[C@@H]1CCC[NH+](C)CC1 ZINC001254524849 969694260 /nfs/dbraw/zinc/69/42/60/969694260.db2.gz CVKZBRJJLWACKF-QWHCGFSZSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+](C[C@@H]1CC1(C)C)[C@@H]1CCC[N@H+](C)CC1 ZINC001254524849 969694268 /nfs/dbraw/zinc/69/42/68/969694268.db2.gz CVKZBRJJLWACKF-QWHCGFSZSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+](C[C@@H]1CC1(C)C)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254524849 969694270 /nfs/dbraw/zinc/69/42/70/969694270.db2.gz CVKZBRJJLWACKF-QWHCGFSZSA-N 2 1 224.392 2.449 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2Cc3ccccc3C2)CC1 ZINC001254517286 969703042 /nfs/dbraw/zinc/70/30/42/969703042.db2.gz UAKUVHOZBPAMSB-HNNXBMFYSA-N 2 1 230.355 2.487 20 0 BEADMP C[N@@H+]1CCC[C@@H]([NH+]2CCCCC23CC3)CC1 ZINC001254525740 969709003 /nfs/dbraw/zinc/70/90/03/969709003.db2.gz LSZMIWFVRCHUDJ-CYBMUJFWSA-N 2 1 222.376 2.489 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2CCCCC23CC3)CC1 ZINC001254525740 969709007 /nfs/dbraw/zinc/70/90/07/969709007.db2.gz LSZMIWFVRCHUDJ-CYBMUJFWSA-N 2 1 222.376 2.489 20 0 BEADMP C[NH+]1CCC[C@@H]([N@@H+]2CCCCC23CC3)CC1 ZINC001254525740 969709014 /nfs/dbraw/zinc/70/90/14/969709014.db2.gz LSZMIWFVRCHUDJ-CYBMUJFWSA-N 2 1 222.376 2.489 20 0 BEADMP C[NH+]1CCC[C@@H]([N@H+]2CCCCC23CC3)CC1 ZINC001254525740 969709018 /nfs/dbraw/zinc/70/90/18/969709018.db2.gz LSZMIWFVRCHUDJ-CYBMUJFWSA-N 2 1 222.376 2.489 20 0 BEADMP C[N@@H+](C1CCCC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254524594 969713326 /nfs/dbraw/zinc/71/33/26/969713326.db2.gz XJXSHMLPJFIALP-CYBMUJFWSA-N 2 1 210.365 2.345 20 0 BEADMP C[NH+](C1CCCC1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254524594 969713333 /nfs/dbraw/zinc/71/33/33/969713333.db2.gz XJXSHMLPJFIALP-CYBMUJFWSA-N 2 1 210.365 2.345 20 0 BEADMP C[NH+](C1CCCC1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254524594 969713340 /nfs/dbraw/zinc/71/33/40/969713340.db2.gz XJXSHMLPJFIALP-CYBMUJFWSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254524910 969719902 /nfs/dbraw/zinc/71/99/02/969719902.db2.gz DQWJPHYCYNZQFJ-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1C[C@H](C)C[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254524910 969719907 /nfs/dbraw/zinc/71/99/07/969719907.db2.gz DQWJPHYCYNZQFJ-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1C[C@H](C)C[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254524910 969719912 /nfs/dbraw/zinc/71/99/12/969719912.db2.gz DQWJPHYCYNZQFJ-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP C[N@H+]1CC[C@H](n2cc(CC[NH3+])c3ccccc32)C1 ZINC001255412195 970132815 /nfs/dbraw/zinc/13/28/15/970132815.db2.gz GKNULJKXHHANQI-ZDUSSCGKSA-N 2 1 243.354 2.019 20 0 BEADMP C[C@H]1C[N@@H+](CCC2CCCC2)CC[C@@H]1C[NH3+] ZINC000300719217 970299101 /nfs/dbraw/zinc/29/91/01/970299101.db2.gz AUMLOZMBKJYSCR-GXTWGEPZSA-N 2 1 224.392 2.483 20 0 BEADMP Cc1c[nH+]c(CC[NH3+])n1[C@H](C)CC(F)(F)F ZINC001255633938 970410389 /nfs/dbraw/zinc/41/03/89/970410389.db2.gz QKQFHRRQFSCIQI-SSDOTTSWSA-N 2 1 235.253 2.206 20 0 BEADMP C[C@@H]([NH3+])c1nccn1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255661887 970444246 /nfs/dbraw/zinc/44/42/46/970444246.db2.gz DWPHZWXIDWHONC-FKJOKYEKSA-N 2 1 248.374 2.091 20 0 BEADMP Cc1oncc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255662028 970444362 /nfs/dbraw/zinc/44/43/62/970444362.db2.gz GPALDGVPYQNJED-AGUYFDCRSA-N 2 1 249.358 2.088 20 0 BEADMP Cc1oncc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255662028 970444363 /nfs/dbraw/zinc/44/43/63/970444363.db2.gz GPALDGVPYQNJED-AGUYFDCRSA-N 2 1 249.358 2.088 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CC[C@@H](C)C1 ZINC001170156374 970483878 /nfs/dbraw/zinc/48/38/78/970483878.db2.gz DUDNIHKFWMOWPX-OLZOCXBDSA-N 2 1 212.381 2.449 20 0 BEADMP C[C@H]([NH2+]CCSC(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000400461932 970586633 /nfs/dbraw/zinc/58/66/33/970586633.db2.gz UVMHMQOPIWHJFW-WDEREUQCSA-N 2 1 230.421 2.248 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCSCC1 ZINC001255958992 970592686 /nfs/dbraw/zinc/59/26/86/970592686.db2.gz ICSXPNGKIFUNGE-LBPRGKRZSA-N 2 1 230.421 2.156 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](CC)CC(C)(C)O ZINC001255968496 970604052 /nfs/dbraw/zinc/60/40/52/970604052.db2.gz ZUPBQIAOFHAHTO-CYBMUJFWSA-N 2 1 244.423 2.200 20 0 BEADMP F[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC001256066102 970631437 /nfs/dbraw/zinc/63/14/37/970631437.db2.gz RNNJCZUKKKZZPT-VXGBXAGGSA-N 2 1 240.366 2.341 20 0 BEADMP Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)n1C ZINC001256068108 970633868 /nfs/dbraw/zinc/63/38/68/970633868.db2.gz VKCLAXSEDVYUNO-UHFFFAOYSA-N 2 1 247.386 2.050 20 0 BEADMP C[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C[C@H]1C ZINC001256202666 970701537 /nfs/dbraw/zinc/70/15/37/970701537.db2.gz KIUSKNXULFYMNS-QWHCGFSZSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C[C@H]1C ZINC001256202666 970701544 /nfs/dbraw/zinc/70/15/44/970701544.db2.gz KIUSKNXULFYMNS-QWHCGFSZSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@H]1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC001256207344 970708182 /nfs/dbraw/zinc/70/81/82/970708182.db2.gz FNLVBRDAKALFDE-RYUDHWBXSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]1CCC[N@H+](C2CCN(C)CC2)[C@H]1C ZINC001256207230 970710788 /nfs/dbraw/zinc/71/07/88/970710788.db2.gz DAHXUSYAADEEHS-RYUDHWBXSA-N 2 1 210.365 2.201 20 0 BEADMP C[NH+]1CCC([N@H+]2CCCC3(CCC3)C2)CC1 ZINC001256209153 970712855 /nfs/dbraw/zinc/71/28/55/970712855.db2.gz NFFNAWXKHTVVFG-UHFFFAOYSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC([N@@H+]2CCCC3(CCC3)C2)CC1 ZINC001256209153 970712852 /nfs/dbraw/zinc/71/28/52/970712852.db2.gz NFFNAWXKHTVVFG-UHFFFAOYSA-N 2 1 222.376 2.347 20 0 BEADMP CC(C)[C@@H]1CCC[N@H+]1C1CCN(C)CC1 ZINC001256211037 970719627 /nfs/dbraw/zinc/71/96/27/970719627.db2.gz QFUCFJVSAVNRHH-ZDUSSCGKSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]1C[N@H+]([C@H]2CCC(C)(C)C2)C[C@H]1C[NH3+] ZINC001246542458 972577735 /nfs/dbraw/zinc/57/77/35/972577735.db2.gz PKVBNCCTCMPCOM-TUAOUCFPSA-N 2 1 210.365 2.092 20 0 BEADMP Cc1ccc(C[C@@H](C)[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001246544733 972607288 /nfs/dbraw/zinc/60/72/88/972607288.db2.gz YKAYBTQKAXMKEV-SQWLQELKSA-N 2 1 246.398 2.453 20 0 BEADMP CSCC[C@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246549575 972695446 /nfs/dbraw/zinc/69/54/46/972695446.db2.gz MMYXUUXDALAISA-NWDGAFQWSA-N 2 1 248.411 2.281 20 0 BEADMP C[C@@]1([NH3+])CCC[N@H+]([C@@H]2CCCSC2)CC1 ZINC001246554029 972745825 /nfs/dbraw/zinc/74/58/25/972745825.db2.gz USEODRNRKORXQE-VXGBXAGGSA-N 2 1 228.405 2.085 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@H]1CCCc2occc21 ZINC001327840662 972753885 /nfs/dbraw/zinc/75/38/85/972753885.db2.gz RJIFHZFSWAQVGK-PWSUYJOCSA-N 2 1 222.332 2.245 20 0 BEADMP CCCCC[C@@H](C)[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246557971 972777941 /nfs/dbraw/zinc/77/79/41/972777941.db2.gz JSJXMZXCRKBYJE-ZIAGYGMSSA-N 2 1 242.407 2.131 20 0 BEADMP CCC(CC)[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246570827 972845174 /nfs/dbraw/zinc/84/51/74/972845174.db2.gz WAOYUPUOOVKNMF-NWDGAFQWSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001246594975 973007673 /nfs/dbraw/zinc/00/76/73/973007673.db2.gz WWVVEEDDQJDVLW-XHJNMGKDSA-N 2 1 236.403 2.480 20 0 BEADMP CC1(C)CC[C@@H]([N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)C1 ZINC001246658267 973071314 /nfs/dbraw/zinc/07/13/14/973071314.db2.gz QAAUZYSTLBVUID-UPJWGTAASA-N 2 1 222.376 2.249 20 0 BEADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246666662 973076183 /nfs/dbraw/zinc/07/61/83/973076183.db2.gz WVMYHYMFPFBHBB-YHQUGGNUSA-N 2 1 224.392 2.336 20 0 BEADMP CC(C)C1CCC([N@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)CC1 ZINC001246677674 973080323 /nfs/dbraw/zinc/08/03/23/973080323.db2.gz WWEBOSCGNKFHHB-SHWKFHJASA-N 2 1 236.403 2.495 20 0 BEADMP FC1CC2(C1)CCC[N@@H+](C1CC[NH2+]CC1)CC2 ZINC001246851180 973150516 /nfs/dbraw/zinc/15/05/16/973150516.db2.gz DQIGADYQWOAWOZ-UHFFFAOYSA-N 2 1 240.366 2.343 20 0 BEADMP FC1CC2(C1)CCC[N@H+](C1CC[NH2+]CC1)CC2 ZINC001246851180 973150522 /nfs/dbraw/zinc/15/05/22/973150522.db2.gz DQIGADYQWOAWOZ-UHFFFAOYSA-N 2 1 240.366 2.343 20 0 BEADMP CCC1CCC([N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246860290 973165475 /nfs/dbraw/zinc/16/54/75/973165475.db2.gz MBBOTDGVSZQUBK-YIOUJQMASA-N 2 1 222.376 2.378 20 0 BEADMP CCC1CCC([N@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246860165 973172841 /nfs/dbraw/zinc/17/28/41/973172841.db2.gz MBBOTDGVSZQUBK-HHTDUIENSA-N 2 1 222.376 2.378 20 0 BEADMP CC(C)CC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246866315 973221068 /nfs/dbraw/zinc/22/10/68/973221068.db2.gz JFMTWUSJTMIABR-RDBSUJKOSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@@H]([NH+]2CC3CCC(CC3)C2)CC[NH2+]1 ZINC001246881043 973290398 /nfs/dbraw/zinc/29/03/98/973290398.db2.gz GKTOHDYJRUAMNW-RYSNWHEDSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]CC2(C)CC(F)(F)C2)C[NH2+]1 ZINC000720898767 973392842 /nfs/dbraw/zinc/39/28/42/973392842.db2.gz DNVDWKWNOJBLHI-VHSXEESVSA-N 2 1 232.318 2.152 20 0 BEADMP C1[NH2+][C@H]2C[N@H+](C3CCC4(CCCC4)CC3)C[C@@H]12 ZINC001246913955 973442447 /nfs/dbraw/zinc/44/24/47/973442447.db2.gz BQANWVOZPFQZJG-OCCSQVGLSA-N 2 1 234.387 2.393 20 0 BEADMP C[C@H](CC1CC1)[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247014152 973797124 /nfs/dbraw/zinc/79/71/24/973797124.db2.gz JECWANFUBCDOPW-MRVWCRGKSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@H](CC1CC1)[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247014152 973797128 /nfs/dbraw/zinc/79/71/28/973797128.db2.gz JECWANFUBCDOPW-MRVWCRGKSA-N 2 1 222.376 2.249 20 0 BEADMP Cc1ccc(CC[C@H](C)[NH2+]C2(C[NH3+])CC2)cc1 ZINC001171666504 974129583 /nfs/dbraw/zinc/12/95/83/974129583.db2.gz YNZGINWXDQNRTQ-ZDUSSCGKSA-N 2 1 232.371 2.397 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206155404 974267043 /nfs/dbraw/zinc/26/70/43/974267043.db2.gz LIIHLFPMLZXWJZ-NEPJUHHUSA-N 2 1 216.344 2.184 20 0 BEADMP CC(C)CCC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206155404 974267056 /nfs/dbraw/zinc/26/70/56/974267056.db2.gz LIIHLFPMLZXWJZ-NEPJUHHUSA-N 2 1 216.344 2.184 20 0 BEADMP Cc1oncc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172098681 974337100 /nfs/dbraw/zinc/33/71/00/974337100.db2.gz GPALDGVPYQNJED-ZSOGYDGISA-N 2 1 249.358 2.088 20 0 BEADMP Cc1oncc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098681 974337104 /nfs/dbraw/zinc/33/71/04/974337104.db2.gz GPALDGVPYQNJED-ZSOGYDGISA-N 2 1 249.358 2.088 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC(F)C1)C2 ZINC001172098136 974338064 /nfs/dbraw/zinc/33/80/64/974338064.db2.gz AHPCQHAJBPPUPE-PAZDGXDMSA-N 2 1 226.339 2.092 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC(F)C1)C2 ZINC001172098136 974338073 /nfs/dbraw/zinc/33/80/73/974338073.db2.gz AHPCQHAJBPPUPE-PAZDGXDMSA-N 2 1 226.339 2.092 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccco1)C2 ZINC001172100621 974344318 /nfs/dbraw/zinc/34/43/18/974344318.db2.gz QOEGRUAQDRDXQA-XYYAHUGASA-N 2 1 234.343 2.385 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccco1)C2 ZINC001172100621 974344326 /nfs/dbraw/zinc/34/43/26/974344326.db2.gz QOEGRUAQDRDXQA-XYYAHUGASA-N 2 1 234.343 2.385 20 0 BEADMP CC(C)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100268 974344454 /nfs/dbraw/zinc/34/44/54/974344454.db2.gz NZDICZAMGZSOLY-CLLJXQQHSA-N 2 1 210.365 2.247 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccncc1)C2 ZINC001172100334 974345218 /nfs/dbraw/zinc/34/52/18/974345218.db2.gz OXMBSJBPIAMXID-QKDCVEJESA-N 2 1 245.370 2.187 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC(C(F)F)C1)C2 ZINC001172129935 974351067 /nfs/dbraw/zinc/35/10/67/974351067.db2.gz FGWJAMYVFGJUNA-GDNZZTSVSA-N 2 1 244.329 2.199 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC(C(F)F)C1)C2 ZINC001172129935 974351073 /nfs/dbraw/zinc/35/10/73/974351073.db2.gz FGWJAMYVFGJUNA-GDNZZTSVSA-N 2 1 244.329 2.199 20 0 BEADMP COCC(C)(C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172102851 974362436 /nfs/dbraw/zinc/36/24/36/974362436.db2.gz PPRCIIGYOGPLSW-CLLJXQQHSA-N 2 1 240.391 2.016 20 0 BEADMP COCC(C)(C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172102851 974362440 /nfs/dbraw/zinc/36/24/40/974362440.db2.gz PPRCIIGYOGPLSW-CLLJXQQHSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]([NH3+])c1ccn([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172106282 974366681 /nfs/dbraw/zinc/36/66/81/974366681.db2.gz OUWSTKBOCHXQDI-NDBYEHHHSA-N 2 1 248.374 2.091 20 0 BEADMP CCCOCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104285 974366937 /nfs/dbraw/zinc/36/69/37/974366937.db2.gz DTUZQCDTTRGJRD-ZSOGYDGISA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]([NH3+])c1ccn([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172106284 974370500 /nfs/dbraw/zinc/37/05/00/974370500.db2.gz OUWSTKBOCHXQDI-WUHRBBMRSA-N 2 1 248.374 2.091 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC1(C)C)C2 ZINC001172112610 974377706 /nfs/dbraw/zinc/37/77/06/974377706.db2.gz YDIACNBISYQJHC-RVMXOQNASA-N 2 1 222.376 2.390 20 0 BEADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](C)CC1CC1)C2 ZINC001172115708 974378227 /nfs/dbraw/zinc/37/82/27/974378227.db2.gz ZAJZZLPKKACMRZ-BTTYYORXSA-N 2 1 222.376 2.344 20 0 BEADMP C[N@H+](CC1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172115708 974378233 /nfs/dbraw/zinc/37/82/33/974378233.db2.gz ZAJZZLPKKACMRZ-BTTYYORXSA-N 2 1 222.376 2.344 20 0 BEADMP C[N@@H+](CC1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172115708 974378242 /nfs/dbraw/zinc/37/82/42/974378242.db2.gz ZAJZZLPKKACMRZ-BTTYYORXSA-N 2 1 222.376 2.344 20 0 BEADMP C[NH+](CC1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115708 974378250 /nfs/dbraw/zinc/37/82/50/974378250.db2.gz ZAJZZLPKKACMRZ-BTTYYORXSA-N 2 1 222.376 2.344 20 0 BEADMP C[NH+](CC1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115708 974378261 /nfs/dbraw/zinc/37/82/61/974378261.db2.gz ZAJZZLPKKACMRZ-BTTYYORXSA-N 2 1 222.376 2.344 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCSCC1)C2 ZINC001172121814 974387542 /nfs/dbraw/zinc/38/75/42/974387542.db2.gz TVGBKJDIFCWUMJ-ITGUQSILSA-N 2 1 240.416 2.051 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCSCC1)C2 ZINC001172121814 974387549 /nfs/dbraw/zinc/38/75/49/974387549.db2.gz TVGBKJDIFCWUMJ-ITGUQSILSA-N 2 1 240.416 2.051 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@H](F)C1)C2 ZINC001172121435 974390649 /nfs/dbraw/zinc/39/06/49/974390649.db2.gz QNZIPAAUMNJECI-FVCCEPFGSA-N 2 1 226.339 2.046 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@H](F)C1)C2 ZINC001172121435 974390657 /nfs/dbraw/zinc/39/06/57/974390657.db2.gz QNZIPAAUMNJECI-FVCCEPFGSA-N 2 1 226.339 2.046 20 0 BEADMP CC[C@@H](C)OCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001172346509 974593831 /nfs/dbraw/zinc/59/38/31/974593831.db2.gz CLAYFPBLKAVOLF-MCIONIFRSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@@H](C)OCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001172346512 974595499 /nfs/dbraw/zinc/59/54/99/974595499.db2.gz CLAYFPBLKAVOLF-MJBXVCDLSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@H](CC(C)C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001172399311 974758140 /nfs/dbraw/zinc/75/81/40/974758140.db2.gz BMLGWVFMQQMYTB-HZSPNIEDSA-N 2 1 224.392 2.305 20 0 BEADMP CC[C@H](CC(C)C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001172399311 974758147 /nfs/dbraw/zinc/75/81/47/974758147.db2.gz BMLGWVFMQQMYTB-HZSPNIEDSA-N 2 1 224.392 2.305 20 0 BEADMP CC[C@H](CC(C)C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001172399311 974758154 /nfs/dbraw/zinc/75/81/54/974758154.db2.gz BMLGWVFMQQMYTB-HZSPNIEDSA-N 2 1 224.392 2.305 20 0 BEADMP CC(C)OCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001172437788 974793549 /nfs/dbraw/zinc/79/35/49/974793549.db2.gz JGKDOPFLVYICLU-KBPBESRZSA-N 2 1 242.407 2.264 20 0 BEADMP CC(C)OCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001172439081 974796355 /nfs/dbraw/zinc/79/63/55/974796355.db2.gz XSMKMYPTGNXKDR-KGLIPLIRSA-N 2 1 242.407 2.121 20 0 BEADMP CCc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)o1 ZINC001206165560 974874871 /nfs/dbraw/zinc/87/48/71/974874871.db2.gz OBFFDMUSMZKXLB-QWHCGFSZSA-N 2 1 240.322 2.103 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)o1 ZINC001206165560 974874877 /nfs/dbraw/zinc/87/48/77/974874877.db2.gz OBFFDMUSMZKXLB-QWHCGFSZSA-N 2 1 240.322 2.103 20 0 BEADMP CCc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)o1 ZINC001206165561 974876308 /nfs/dbraw/zinc/87/63/08/974876308.db2.gz OBFFDMUSMZKXLB-STQMWFEESA-N 2 1 240.322 2.103 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)o1 ZINC001206165561 974876313 /nfs/dbraw/zinc/87/63/13/974876313.db2.gz OBFFDMUSMZKXLB-STQMWFEESA-N 2 1 240.322 2.103 20 0 BEADMP Cc1ccc2c(c1)C[C@H]([NH2+]C(C)(C)C[NH3+])CC2 ZINC001172826307 974948917 /nfs/dbraw/zinc/94/89/17/974948917.db2.gz UHDGRMPGXRHYIU-CQSZACIVSA-N 2 1 232.371 2.179 20 0 BEADMP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001172923981 974972854 /nfs/dbraw/zinc/97/28/54/974972854.db2.gz OWKCIVFUIUJUFF-MGPQQGTHSA-N 2 1 240.391 2.018 20 0 BEADMP CO[C@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)C1 ZINC001172927773 974974214 /nfs/dbraw/zinc/97/42/14/974974214.db2.gz ZVVKNMNPDNLSKX-MJBXVCDLSA-N 2 1 240.391 2.018 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCC[C@H](OC)C1 ZINC001172951533 975005857 /nfs/dbraw/zinc/00/58/57/975005857.db2.gz RGOGUERIASWQJG-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CC23CCC3)CC1 ZINC000721162531 975049183 /nfs/dbraw/zinc/04/91/83/975049183.db2.gz QCLWCNRGRNYPOQ-GFCCVEGCSA-N 2 1 208.349 2.003 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001332419586 975104000 /nfs/dbraw/zinc/10/40/00/975104000.db2.gz DVDCVVIPSDDCTB-KNZXXDILSA-N 2 1 244.329 2.150 20 0 BEADMP CCSC[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001173293201 975168277 /nfs/dbraw/zinc/16/82/77/975168277.db2.gz YQNWEHVLURYLST-CHWSQXEVSA-N 2 1 244.448 2.450 20 0 BEADMP CCSC[C@H](C)n1cc[nH+]c1CCC[NH3+] ZINC001173301250 975196787 /nfs/dbraw/zinc/19/67/87/975196787.db2.gz KOJDJBINMMJNFE-JTQLQIEISA-N 2 1 227.377 2.089 20 0 BEADMP CC[C@@H]1CC[C@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001173278792 975236409 /nfs/dbraw/zinc/23/64/09/975236409.db2.gz FPGXTCFGWRPXFZ-KBXIAJHMSA-N 2 1 236.403 2.449 20 0 BEADMP CC[C@@H]1CC[C@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C1 ZINC001173278792 975236413 /nfs/dbraw/zinc/23/64/13/975236413.db2.gz FPGXTCFGWRPXFZ-KBXIAJHMSA-N 2 1 236.403 2.449 20 0 BEADMP CC[C@@H]1CC[C@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C1 ZINC001173278792 975236420 /nfs/dbraw/zinc/23/64/20/975236420.db2.gz FPGXTCFGWRPXFZ-KBXIAJHMSA-N 2 1 236.403 2.449 20 0 BEADMP CC[C@H]1CC[C@H]([N@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001173291403 975264465 /nfs/dbraw/zinc/26/44/65/975264465.db2.gz AWIMEOAURPXDEB-STQMWFEESA-N 2 1 233.359 2.320 20 0 BEADMP CC[C@H]1CC[C@H]([N@@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001173291403 975264474 /nfs/dbraw/zinc/26/44/74/975264474.db2.gz AWIMEOAURPXDEB-STQMWFEESA-N 2 1 233.359 2.320 20 0 BEADMP CC[C@@H]1CC[C@@H]([N@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001173291391 975264544 /nfs/dbraw/zinc/26/45/44/975264544.db2.gz AWIMEOAURPXDEB-CHWSQXEVSA-N 2 1 233.359 2.320 20 0 BEADMP CC[C@@H]1CC[C@@H]([N@@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001173291391 975264551 /nfs/dbraw/zinc/26/45/51/975264551.db2.gz AWIMEOAURPXDEB-CHWSQXEVSA-N 2 1 233.359 2.320 20 0 BEADMP Cc1sccc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206200438 975375392 /nfs/dbraw/zinc/37/53/92/975375392.db2.gz RPYGJNMGQYKAIO-NEPJUHHUSA-N 2 1 242.363 2.318 20 0 BEADMP C[C@@H]1CCC[N@@H+]1CC[NH2+]CCCC(F)(F)F ZINC001333749753 976061995 /nfs/dbraw/zinc/06/19/95/976061995.db2.gz CJSPGGXDZCYBND-SNVBAGLBSA-N 2 1 238.297 2.403 20 0 BEADMP C[C@@H]1CCC[N@H+]1CC[NH2+]CCCC(F)(F)F ZINC001333749753 976062010 /nfs/dbraw/zinc/06/20/10/976062010.db2.gz CJSPGGXDZCYBND-SNVBAGLBSA-N 2 1 238.297 2.403 20 0 BEADMP Cc1c[nH+]ccc1-n1c(N)[nH+]c2ccccc21 ZINC001174535821 976812545 /nfs/dbraw/zinc/81/25/45/976812545.db2.gz AFQDOMUBIJFGPO-UHFFFAOYSA-N 2 1 224.267 2.311 20 0 BEADMP C[C@@H](c1cccc(O[C@H]2CC[N@@H+](C)C2)c1)[NH+](C)C ZINC001229625596 976917589 /nfs/dbraw/zinc/91/75/89/976917589.db2.gz IDQDXBKJMSGZLZ-WFASDCNBSA-N 2 1 248.370 2.392 20 0 BEADMP CCC[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429015168 976979986 /nfs/dbraw/zinc/97/99/86/976979986.db2.gz XGDYMJUCCIUBIY-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP CCC[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429015168 976979996 /nfs/dbraw/zinc/97/99/96/976979996.db2.gz XGDYMJUCCIUBIY-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP CCC[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429015168 976980004 /nfs/dbraw/zinc/98/00/04/976980004.db2.gz XGDYMJUCCIUBIY-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP C[N@H+]1CCC[C@H]2CN(c3cc[nH+]cc3)CC[C@H]21 ZINC001336391777 977655832 /nfs/dbraw/zinc/65/58/32/977655832.db2.gz NFGAWVRZIADVHU-GXTWGEPZSA-N 2 1 231.343 2.002 20 0 BEADMP CC(C)[N@@H+](CCCO)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232013931 977837511 /nfs/dbraw/zinc/83/75/11/977837511.db2.gz IDESGJSDJSZVSM-UHFFFAOYSA-N 2 1 247.342 2.156 20 0 BEADMP Cc1cccc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)[nH+]1 ZINC001336869656 978011461 /nfs/dbraw/zinc/01/14/61/978011461.db2.gz BPQWORWERXKSLL-FRRDWIJNSA-N 2 1 231.343 2.142 20 0 BEADMP Cc1cccc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)[nH+]1 ZINC001336869656 978011467 /nfs/dbraw/zinc/01/14/67/978011467.db2.gz BPQWORWERXKSLL-FRRDWIJNSA-N 2 1 231.343 2.142 20 0 BEADMP C[C@]1(C[NH3+])CCC[N@@H+](CC2CCC2)CC1 ZINC001206292493 978283218 /nfs/dbraw/zinc/28/32/18/978283218.db2.gz CBAKLTCCZIDPKF-ZDUSSCGKSA-N 2 1 210.365 2.237 20 0 BEADMP Cc1ccnc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)c1 ZINC001337432177 978333377 /nfs/dbraw/zinc/33/33/77/978333377.db2.gz QNETWCAWPSZYDO-JHJVBQTASA-N 2 1 231.343 2.142 20 0 BEADMP Cc1cc[nH+]c(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c1 ZINC001337432177 978333387 /nfs/dbraw/zinc/33/33/87/978333387.db2.gz QNETWCAWPSZYDO-JHJVBQTASA-N 2 1 231.343 2.142 20 0 BEADMP Cc1cc[nH+]c(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)c1 ZINC001337432177 978333392 /nfs/dbraw/zinc/33/33/92/978333392.db2.gz QNETWCAWPSZYDO-JHJVBQTASA-N 2 1 231.343 2.142 20 0 BEADMP CCc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)o1 ZINC001179817654 978761131 /nfs/dbraw/zinc/76/11/31/978761131.db2.gz RAJPBUUFGRCAQC-TUKIKUTGSA-N 2 1 248.370 2.272 20 0 BEADMP CCc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)o1 ZINC001179817654 978761139 /nfs/dbraw/zinc/76/11/39/978761139.db2.gz RAJPBUUFGRCAQC-TUKIKUTGSA-N 2 1 248.370 2.272 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2C[C@H](C)C[C@@H]2C)CC1 ZINC001179898651 978781356 /nfs/dbraw/zinc/78/13/56/978781356.db2.gz RKRJEWMOMYGVLV-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP CC1=C[C@@H](C)[C@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001235006919 978949746 /nfs/dbraw/zinc/94/97/46/978949746.db2.gz MPNKYFPMICNLQD-CBBWQLFWSA-N 2 1 234.387 2.273 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CCC3(C[NH2+]C3)C2)cc1C ZINC001235023974 978954514 /nfs/dbraw/zinc/95/45/14/978954514.db2.gz IFOBSIVKXUSOPU-UHFFFAOYSA-N 2 1 244.382 2.407 20 0 BEADMP Cn1c[nH+]cc1C1CCN(c2cc[nH+]cc2)CC1 ZINC001340014724 978957065 /nfs/dbraw/zinc/95/70/65/978957065.db2.gz IFHUYXOUHCLWNA-UHFFFAOYSA-N 2 1 242.326 2.199 20 0 BEADMP C(C1CCCCC1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235037357 978957736 /nfs/dbraw/zinc/95/77/36/978957736.db2.gz FLXTYFQAIOUAET-QWHCGFSZSA-N 2 1 208.349 2.003 20 0 BEADMP C(C1CCCCC1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235037357 978957741 /nfs/dbraw/zinc/95/77/41/978957741.db2.gz FLXTYFQAIOUAET-QWHCGFSZSA-N 2 1 208.349 2.003 20 0 BEADMP C[C@H](C[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1)c1ccccc1 ZINC001235166095 978986458 /nfs/dbraw/zinc/98/64/58/978986458.db2.gz OMYNRVUMJYKNQQ-VHDGCEQUSA-N 2 1 230.355 2.213 20 0 BEADMP C[C@H](C[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1)c1ccccc1 ZINC001235166095 978986460 /nfs/dbraw/zinc/98/64/60/978986460.db2.gz OMYNRVUMJYKNQQ-VHDGCEQUSA-N 2 1 230.355 2.213 20 0 BEADMP C[C@@H](C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1)c1ccccc1 ZINC001235208930 978996306 /nfs/dbraw/zinc/99/63/06/978996306.db2.gz BPEARXPZHJYSQB-IMJJTQAJSA-N 2 1 244.382 2.474 20 0 BEADMP C[C@@H](C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1)c1ccccc1 ZINC001235208930 978996317 /nfs/dbraw/zinc/99/63/17/978996317.db2.gz BPEARXPZHJYSQB-IMJJTQAJSA-N 2 1 244.382 2.474 20 0 BEADMP c1cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)no1 ZINC001235227186 978998975 /nfs/dbraw/zinc/99/89/75/978998975.db2.gz DIMJSAMGRCKQEQ-CQSZACIVSA-N 2 1 249.358 2.029 20 0 BEADMP CC(C)c1ccc(CC[N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC001235210960 978999425 /nfs/dbraw/zinc/99/94/25/978999425.db2.gz RTGBHRBRVUASHG-ZSHCYNCHSA-N 2 1 244.382 2.241 20 0 BEADMP CC1=CC[C@@H](CC[N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)C1(C)C ZINC001235209967 979001389 /nfs/dbraw/zinc/00/13/89/979001389.db2.gz GTSSRNQIZOKSQN-IGQOVBAYSA-N 2 1 234.387 2.258 20 0 BEADMP Cc1cccc(CC[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC001235239077 979002604 /nfs/dbraw/zinc/00/26/04/979002604.db2.gz FAROOMZARVPLCF-HZPDHXFCSA-N 2 1 244.382 2.351 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@H]3C[NH2+]CC[C@H]32)CC1 ZINC001235256771 979009380 /nfs/dbraw/zinc/00/93/80/979009380.db2.gz GQMUBVNKTKODFG-BYNSBNAKSA-N 2 1 234.387 2.273 20 0 BEADMP CC(C)c1ccc(CC[N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)cc1 ZINC001235283923 979018307 /nfs/dbraw/zinc/01/83/07/979018307.db2.gz RTGBHRBRVUASHG-MUJYYYPQSA-N 2 1 244.382 2.241 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235404156 979037179 /nfs/dbraw/zinc/03/71/79/979037179.db2.gz MTHQUWHGGKRQOU-ZIAGYGMSSA-N 2 1 242.382 2.446 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC[C@H]2COC(C)(C)N2)[C@H]1C ZINC001235694712 979123282 /nfs/dbraw/zinc/12/32/82/979123282.db2.gz ITAFKYVRPPQQCB-AGIUHOORSA-N 2 1 240.391 2.221 20 0 BEADMP C[C@@H]1CCC[N@H+](CC[C@H]2COC(C)(C)[NH2+]2)[C@H]1C ZINC001235694712 979123287 /nfs/dbraw/zinc/12/32/87/979123287.db2.gz ITAFKYVRPPQQCB-AGIUHOORSA-N 2 1 240.391 2.221 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC[C@H]2COC(C)(C)[NH2+]2)[C@H]1C ZINC001235694712 979123292 /nfs/dbraw/zinc/12/32/92/979123292.db2.gz ITAFKYVRPPQQCB-AGIUHOORSA-N 2 1 240.391 2.221 20 0 BEADMP C(C1CCCCC1)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235711885 979127909 /nfs/dbraw/zinc/12/79/09/979127909.db2.gz UKBVMSUDKCRHLI-UHFFFAOYSA-N 2 1 222.376 2.252 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1cccc2c1CCCC2 ZINC001235725005 979133400 /nfs/dbraw/zinc/13/34/00/979133400.db2.gz MXGONXADRXQJOA-HNNXBMFYSA-N 2 1 244.382 2.489 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@H+]1Cc1cccc2c1CCCC2 ZINC001235725005 979133404 /nfs/dbraw/zinc/13/34/04/979133404.db2.gz MXGONXADRXQJOA-HNNXBMFYSA-N 2 1 244.382 2.489 20 0 BEADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cccc2c1CCC2 ZINC001235925654 979207923 /nfs/dbraw/zinc/20/79/23/979207923.db2.gz NPORQIXNGOLJFE-HNNXBMFYSA-N 2 1 244.382 2.489 20 0 BEADMP CC(C)c1nc(C[N@H+](C)CCCC[NH3+])cs1 ZINC001235947195 979220705 /nfs/dbraw/zinc/22/07/05/979220705.db2.gz YNWDLMIOBUFUBZ-UHFFFAOYSA-N 2 1 241.404 2.437 20 0 BEADMP CC(C)c1nc(C[N@@H+](C)CCCC[NH3+])cs1 ZINC001235947195 979220718 /nfs/dbraw/zinc/22/07/18/979220718.db2.gz YNWDLMIOBUFUBZ-UHFFFAOYSA-N 2 1 241.404 2.437 20 0 BEADMP CCc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1 ZINC001235958672 979225627 /nfs/dbraw/zinc/22/56/27/979225627.db2.gz AXPREJXAPVBPBH-MUJYYYPQSA-N 2 1 244.382 2.418 20 0 BEADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](CCCC1CCCC1)C2 ZINC001235979956 979235885 /nfs/dbraw/zinc/23/58/85/979235885.db2.gz OWEGJMGHCIYZIY-KGLIPLIRSA-N 2 1 222.376 2.380 20 0 BEADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](CCC1CCCCC1)C2 ZINC001235981869 979241049 /nfs/dbraw/zinc/24/10/49/979241049.db2.gz YHJYLFCVUTWSDR-ZIAGYGMSSA-N 2 1 222.376 2.380 20 0 BEADMP C[C@H](C[N@H+]1C[C@H]2CC[C@]2([NH3+])C1)c1ccccc1 ZINC001235976610 979246398 /nfs/dbraw/zinc/24/63/98/979246398.db2.gz AJMBNGWFBNUNCJ-YUELXQCFSA-N 2 1 230.355 2.213 20 0 BEADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](CCCCc1ccccc1)C2 ZINC001235978871 979253192 /nfs/dbraw/zinc/25/31/92/979253192.db2.gz LBYLDNWZBSVJEP-CVEARBPZSA-N 2 1 244.382 2.432 20 0 BEADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1cccc3c1CCC3)C2 ZINC001235996083 979291455 /nfs/dbraw/zinc/29/14/55/979291455.db2.gz QRGICFZBAUNQRV-GDBMZVCRSA-N 2 1 242.366 2.098 20 0 BEADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1cccc3c1CCC3)C2 ZINC001235996083 979291466 /nfs/dbraw/zinc/29/14/66/979291466.db2.gz QRGICFZBAUNQRV-GDBMZVCRSA-N 2 1 242.366 2.098 20 0 BEADMP [NH3+][C@@]12C[C@@H]1C[N@H+](CCCCc1ccccc1)C2 ZINC001236017285 979306227 /nfs/dbraw/zinc/30/62/27/979306227.db2.gz RCFRSSVRVSXABD-HUUCEWRRSA-N 2 1 230.355 2.042 20 0 BEADMP [NH3+][C@@]12C[C@@H]1C[N@@H+](CCCCc1ccccc1)C2 ZINC001236017285 979306240 /nfs/dbraw/zinc/30/62/40/979306240.db2.gz RCFRSSVRVSXABD-HUUCEWRRSA-N 2 1 230.355 2.042 20 0 BEADMP C[C@H](C[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2)c1ccccc1 ZINC001236059492 979350337 /nfs/dbraw/zinc/35/03/37/979350337.db2.gz IWDUIJUBWJZREL-YCPHGPKFSA-N 2 1 244.382 2.474 20 0 BEADMP C[C@H](C[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2)c1ccccc1 ZINC001236059492 979350348 /nfs/dbraw/zinc/35/03/48/979350348.db2.gz IWDUIJUBWJZREL-YCPHGPKFSA-N 2 1 244.382 2.474 20 0 BEADMP CCc1cccc(C[N@@H+]2CCC[NH2+][C@@H](C)C2)c1 ZINC001236094827 979384756 /nfs/dbraw/zinc/38/47/56/979384756.db2.gz JWNOPHTWAQBLSV-ZDUSSCGKSA-N 2 1 232.371 2.433 20 0 BEADMP CCc1cccc(C[N@H+]2CCC[NH2+][C@@H](C)C2)c1 ZINC001236094827 979384764 /nfs/dbraw/zinc/38/47/64/979384764.db2.gz JWNOPHTWAQBLSV-ZDUSSCGKSA-N 2 1 232.371 2.433 20 0 BEADMP CC[N@H+](CC[NH2+]C)CCC1CCCCC1 ZINC001236142222 979407592 /nfs/dbraw/zinc/40/75/92/979407592.db2.gz BQKJWDZBYRKAKD-UHFFFAOYSA-N 2 1 212.381 2.498 20 0 BEADMP CC[N@@H+](CC[NH2+]C)CCC1CCCCC1 ZINC001236142222 979407607 /nfs/dbraw/zinc/40/76/07/979407607.db2.gz BQKJWDZBYRKAKD-UHFFFAOYSA-N 2 1 212.381 2.498 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc2cnccc21 ZINC001236245816 979468656 /nfs/dbraw/zinc/46/86/56/979468656.db2.gz RCJBIUGNZMIPBV-CQSZACIVSA-N 2 1 241.338 2.158 20 0 BEADMP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc2cnccc21 ZINC001236245816 979468661 /nfs/dbraw/zinc/46/86/61/979468661.db2.gz RCJBIUGNZMIPBV-CQSZACIVSA-N 2 1 241.338 2.158 20 0 BEADMP CC1(C)[NH2+]C[C@@H](C[NH+]2CCCCCCCC2)O1 ZINC001236308539 979511912 /nfs/dbraw/zinc/51/19/12/979511912.db2.gz SWWPAKIZCUDONC-ZDUSSCGKSA-N 2 1 240.391 2.367 20 0 BEADMP CC/C=C\CC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315010 979526385 /nfs/dbraw/zinc/52/63/85/979526385.db2.gz UPYMQNGUSGCMAK-LQOBQMSGSA-N 2 1 222.376 2.274 20 0 BEADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)oc1C ZINC001236317316 979529730 /nfs/dbraw/zinc/52/97/30/979529730.db2.gz VTPXGFCOQZQHMK-OKILXGFUSA-N 2 1 248.370 2.328 20 0 BEADMP CCC[C@H](C)C[N@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001236328210 979536324 /nfs/dbraw/zinc/53/63/24/979536324.db2.gz NRPUCBBQIYFTKV-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[C@H](C)C[N@@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001236328210 979536331 /nfs/dbraw/zinc/53/63/31/979536331.db2.gz NRPUCBBQIYFTKV-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[C@@H](C)C[N@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001236328215 979537556 /nfs/dbraw/zinc/53/75/56/979537556.db2.gz NRPUCBBQIYFTKV-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[C@@H](C)C[N@@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001236328215 979537564 /nfs/dbraw/zinc/53/75/64/979537564.db2.gz NRPUCBBQIYFTKV-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@H]([NH3+])C[NH+]1CCC(C)(c2ccccc2)CC1 ZINC001236434904 979599487 /nfs/dbraw/zinc/59/94/87/979599487.db2.gz ZALVLCNGZISZBD-ZDUSSCGKSA-N 2 1 232.371 2.387 20 0 BEADMP C(C1CC1)[N@H+]([C@H]1CCNC1)C1CCCCC1 ZINC001236649402 979687137 /nfs/dbraw/zinc/68/71/37/979687137.db2.gz XZLGVRRXKDBTNR-AWEZNQCLSA-N 2 1 222.376 2.393 20 0 BEADMP C(C1CC1)[N@@H+]([C@H]1CCNC1)C1CCCCC1 ZINC001236649402 979687141 /nfs/dbraw/zinc/68/71/41/979687141.db2.gz XZLGVRRXKDBTNR-AWEZNQCLSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@]1([NH3+])CCC[N@@H+](CCc2ccccc2)CC1 ZINC001205257161 979755898 /nfs/dbraw/zinc/75/58/98/979755898.db2.gz SWFAARYPYKHJKR-HNNXBMFYSA-N 2 1 232.371 2.432 20 0 BEADMP C[C@]1([NH3+])CCC[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001205257238 979757779 /nfs/dbraw/zinc/75/77/79/979757779.db2.gz UQGWMVJBVZGARO-YJNKXOJESA-N 2 1 234.387 2.402 20 0 BEADMP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc2[nH]ccc21 ZINC001236865681 979771583 /nfs/dbraw/zinc/77/15/83/979771583.db2.gz LZNKWRDXHHORQI-LBPRGKRZSA-N 2 1 231.343 2.337 20 0 BEADMP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC001236865681 979771586 /nfs/dbraw/zinc/77/15/86/979771586.db2.gz LZNKWRDXHHORQI-LBPRGKRZSA-N 2 1 231.343 2.337 20 0 BEADMP CCOC(C)(C)C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205257946 979781180 /nfs/dbraw/zinc/78/11/80/979781180.db2.gz ZGBCFUPYURGRBO-ZDUSSCGKSA-N 2 1 228.380 2.005 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)ccc1O ZINC001205273061 979833363 /nfs/dbraw/zinc/83/33/63/979833363.db2.gz DDYGHGOLPAJYIB-OAHLLOKOSA-N 2 1 248.370 2.404 20 0 BEADMP C[C@H]1CCC[N@H+]1Cc1cccc2cncn21 ZINC001238104719 980158052 /nfs/dbraw/zinc/15/80/52/980158052.db2.gz YVETUDQNQPEYGO-NSHDSACASA-N 2 1 215.300 2.319 20 0 BEADMP C[C@H]1CCC[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238104719 980158058 /nfs/dbraw/zinc/15/80/58/980158058.db2.gz YVETUDQNQPEYGO-NSHDSACASA-N 2 1 215.300 2.319 20 0 BEADMP C[C@H]1CCC[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238104719 980158068 /nfs/dbraw/zinc/15/80/68/980158068.db2.gz YVETUDQNQPEYGO-NSHDSACASA-N 2 1 215.300 2.319 20 0 BEADMP Cc1ccccc1C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001203708998 980814122 /nfs/dbraw/zinc/81/41/22/980814122.db2.gz URWOBTVVEIKSDJ-HZPDHXFCSA-N 2 1 244.382 2.379 20 0 BEADMP Cc1ccccc1C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001203708998 980814124 /nfs/dbraw/zinc/81/41/24/980814124.db2.gz URWOBTVVEIKSDJ-HZPDHXFCSA-N 2 1 244.382 2.379 20 0 BEADMP CCCCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205602647 981163843 /nfs/dbraw/zinc/16/38/43/981163843.db2.gz KXRDNHFAAANRKN-STQMWFEESA-N 2 1 212.381 2.483 20 0 BEADMP CCOC(C)(C)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205604857 981180404 /nfs/dbraw/zinc/18/04/04/981180404.db2.gz YFIVJSRBGHOIRV-STQMWFEESA-N 2 1 242.407 2.108 20 0 BEADMP c1ccc(SC2CC([NH2+][C@H]3CC[NH2+]C3)C2)cc1 ZINC001580895763 981727108 /nfs/dbraw/zinc/72/71/08/981727108.db2.gz RBFLXRQINAVOSU-DCBWTQNWSA-N 2 1 248.395 2.261 20 0 BEADMP c1ccc2c(c1)CC[C@@H]2C[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001580896018 981727678 /nfs/dbraw/zinc/72/76/78/981727678.db2.gz XAHKYQKUYPVLCS-VDERGJSUSA-N 2 1 242.366 2.199 20 0 BEADMP C(=C/C1CC1)\C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC001350956630 982138133 /nfs/dbraw/zinc/13/81/33/982138133.db2.gz MYFWIJVQKUSSCR-OOPCZODUSA-N 2 1 220.360 2.217 20 0 BEADMP C[N@H+]1CCC=C(c2ccc([C@H]3CCC[NH2+]3)cn2)C1 ZINC001241565023 982806225 /nfs/dbraw/zinc/80/62/25/982806225.db2.gz FOIWIDFWDMFROD-CQSZACIVSA-N 2 1 243.354 2.225 20 0 BEADMP C[NH2+]Cc1ccccc1C1=CCC[N@@H+](C)C1 ZINC001241572459 982825551 /nfs/dbraw/zinc/82/55/51/982825551.db2.gz XDHPWTDAKSPQFV-UHFFFAOYSA-N 2 1 216.328 2.125 20 0 BEADMP C[C@@H]1CC[N@H+](Cc2cccc3[nH]ccc32)C[C@@H]1[NH3+] ZINC001205862975 982924812 /nfs/dbraw/zinc/92/48/12/982924812.db2.gz GXPKJKLLNRKICB-RISCZKNCSA-N 2 1 243.354 2.337 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)C[C@@H]1[NH3+] ZINC001205862975 982924831 /nfs/dbraw/zinc/92/48/31/982924831.db2.gz GXPKJKLLNRKICB-RISCZKNCSA-N 2 1 243.354 2.337 20 0 BEADMP CC[N@H+]1C[C@@H](C)N(c2cc[nH+]cc2)C[C@H]1C ZINC001354019632 983117471 /nfs/dbraw/zinc/11/74/71/983117471.db2.gz UBOVYSZGSRIGEY-VXGBXAGGSA-N 2 1 219.332 2.001 20 0 BEADMP CNc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1 ZINC001205915862 983184449 /nfs/dbraw/zinc/18/44/49/983184449.db2.gz RBYAWNMQBBDWMW-TZMCWYRMSA-N 2 1 247.386 2.288 20 0 BEADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](CC1CCCCC1)C2 ZINC001201401270 983200686 /nfs/dbraw/zinc/20/06/86/983200686.db2.gz FXYOLLPMLMRTDK-HUUCEWRRSA-N 2 1 236.403 2.450 20 0 BEADMP CCC[C@H](C)C[N@H+](C)C1CC[NH+](C)CC1 ZINC001201534745 983288470 /nfs/dbraw/zinc/28/84/70/983288470.db2.gz QKMRVUOXDPCRHC-LBPRGKRZSA-N 2 1 212.381 2.449 20 0 BEADMP CCC[C@H](C)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001201534745 983288475 /nfs/dbraw/zinc/28/84/75/983288475.db2.gz QKMRVUOXDPCRHC-LBPRGKRZSA-N 2 1 212.381 2.449 20 0 BEADMP CCC[N@@H+]1C[C@@H]2C[NH+](C[C@H](C)CC)C[C@@H]2C1 ZINC001201516846 983313501 /nfs/dbraw/zinc/31/35/01/983313501.db2.gz DMKPZFXLMQXTJJ-MCIONIFRSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[NH+]1C[C@@H]2C[N@@H+](C[C@H](C)CC)C[C@@H]2C1 ZINC001201516846 983313507 /nfs/dbraw/zinc/31/35/07/983313507.db2.gz DMKPZFXLMQXTJJ-MCIONIFRSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[NH+]1C[C@@H]2C[N@H+](C[C@H](C)CC)C[C@@H]2C1 ZINC001201516846 983313516 /nfs/dbraw/zinc/31/35/16/983313516.db2.gz DMKPZFXLMQXTJJ-MCIONIFRSA-N 2 1 224.392 2.306 20 0 BEADMP C[NH2+]Cc1ccc(-c2c[nH+]c(N)cc2C)cc1 ZINC001242095442 983338936 /nfs/dbraw/zinc/33/89/36/983338936.db2.gz HWARVHXNOBQHHD-UHFFFAOYSA-N 2 1 227.311 2.359 20 0 BEADMP CCC[N@@H+]1C[C@@H]2C[C@@H](CN(Cc3ccco3)C2)C1 ZINC001201642347 983399786 /nfs/dbraw/zinc/39/97/86/983399786.db2.gz VIHIYHVKTJWHAQ-OKILXGFUSA-N 2 1 248.370 2.443 20 0 BEADMP CCC[N@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001201642347 983399791 /nfs/dbraw/zinc/39/97/91/983399791.db2.gz VIHIYHVKTJWHAQ-OKILXGFUSA-N 2 1 248.370 2.443 20 0 BEADMP CCC[N@@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001201642347 983399794 /nfs/dbraw/zinc/39/97/94/983399794.db2.gz VIHIYHVKTJWHAQ-OKILXGFUSA-N 2 1 248.370 2.443 20 0 BEADMP CCC[NH+]1C[C@H]2C[C@@H](C1)C[N@@H+](Cc1ccco1)C2 ZINC001201642347 983399798 /nfs/dbraw/zinc/39/97/98/983399798.db2.gz VIHIYHVKTJWHAQ-OKILXGFUSA-N 2 1 248.370 2.443 20 0 BEADMP CCC[NH+]1C[C@H]2C[C@@H](C1)C[N@H+](Cc1ccco1)C2 ZINC001201642347 983399803 /nfs/dbraw/zinc/39/98/03/983399803.db2.gz VIHIYHVKTJWHAQ-OKILXGFUSA-N 2 1 248.370 2.443 20 0 BEADMP CCCCC[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001201744293 983447450 /nfs/dbraw/zinc/44/74/50/983447450.db2.gz GFAUXWGPMLPOKI-BETUJISGSA-N 2 1 210.365 2.060 20 0 BEADMP Cc1cnccc1O[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001201952031 983519028 /nfs/dbraw/zinc/51/90/28/983519028.db2.gz GBPDSGOBESXJGX-CYBMUJFWSA-N 2 1 232.327 2.253 20 0 BEADMP CSCCC[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205984586 984217440 /nfs/dbraw/zinc/21/74/40/984217440.db2.gz SJLDELXFGLMRQL-RYUDHWBXSA-N 2 1 230.421 2.046 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CCCC2)CCC[C@@H]1C[NH3+] ZINC001205985019 984220162 /nfs/dbraw/zinc/22/01/62/984220162.db2.gz VBHBJELQMSVOCA-TZMCWYRMSA-N 2 1 224.392 2.483 20 0 BEADMP C[NH2+]Cc1ccc(-c2ccc(N)[nH+]c2C)cc1 ZINC001242994501 984358173 /nfs/dbraw/zinc/35/81/73/984358173.db2.gz ZYTFWAOJVHNBOC-UHFFFAOYSA-N 2 1 227.311 2.359 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@@H]1C[C@@H]1c1cccc(F)c1)C1CC1 ZINC001580228455 984433126 /nfs/dbraw/zinc/43/31/26/984433126.db2.gz BPKLEZBUKFHRDB-MCIONIFRSA-N 2 1 234.318 2.009 20 0 BEADMP C[C@H]1C[C@@H]1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001276031484 984790969 /nfs/dbraw/zinc/79/09/69/984790969.db2.gz HRLNDIDBRFKFLV-QWHCGFSZSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ocnc3C)(C1)CCC2 ZINC001276215018 984830628 /nfs/dbraw/zinc/83/06/28/984830628.db2.gz BWBOOQJEBKLTEH-UONOGXRCSA-N 2 1 249.358 2.137 20 0 BEADMP CCc1ccc(C[N@H+](CC2C[NH2+]C2)C2CC2)cc1 ZINC001578259849 984902261 /nfs/dbraw/zinc/90/22/61/984902261.db2.gz LZUZFONUFPBTKI-UHFFFAOYSA-N 2 1 244.382 2.433 20 0 BEADMP CCc1ccc(C[N@@H+](CC2C[NH2+]C2)C2CC2)cc1 ZINC001578259849 984902281 /nfs/dbraw/zinc/90/22/81/984902281.db2.gz LZUZFONUFPBTKI-UHFFFAOYSA-N 2 1 244.382 2.433 20 0 BEADMP CCCC[C@H](CC)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001257424429 984981203 /nfs/dbraw/zinc/98/12/03/984981203.db2.gz DYLYVBPKKZMYFK-MJBXVCDLSA-N 2 1 224.392 2.449 20 0 BEADMP CCCC[C@H](CC)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001257424429 984981227 /nfs/dbraw/zinc/98/12/27/984981227.db2.gz DYLYVBPKKZMYFK-MJBXVCDLSA-N 2 1 224.392 2.449 20 0 BEADMP CCCC[C@H](CC)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001257424429 984981253 /nfs/dbraw/zinc/98/12/53/984981253.db2.gz DYLYVBPKKZMYFK-MJBXVCDLSA-N 2 1 224.392 2.449 20 0 BEADMP Cn1cccc1C[N@@H+](C)Cc1cccc(C[NH3+])c1 ZINC001578493096 985122477 /nfs/dbraw/zinc/12/24/77/985122477.db2.gz DCHKOUSNDVJFFB-UHFFFAOYSA-N 2 1 243.354 2.116 20 0 BEADMP C[C@H](Cc1ccco1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155906220 985241648 /nfs/dbraw/zinc/24/16/48/985241648.db2.gz IXQPFNUDQZJJIQ-MGPQQGTHSA-N 2 1 248.370 2.427 20 0 BEADMP C[C@H](Cc1ccco1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155906407 985241994 /nfs/dbraw/zinc/24/19/94/985241994.db2.gz IXQPFNUDQZJJIQ-HZSPNIEDSA-N 2 1 248.370 2.427 20 0 BEADMP C[NH2+]CCC[N@@H+](C)CC12CCC(CC1)C2 ZINC001578687453 985299239 /nfs/dbraw/zinc/29/92/39/985299239.db2.gz PJICJHVYLBVWCW-UHFFFAOYSA-N 2 1 210.365 2.108 20 0 BEADMP C[NH2+]CCC[N@H+](C)Cc1ccc(OC)cc1C ZINC001578687516 985299428 /nfs/dbraw/zinc/29/94/28/985299428.db2.gz UKVCIFBJUBTDEM-UHFFFAOYSA-N 2 1 236.359 2.045 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OC)cc1C ZINC001578687516 985299434 /nfs/dbraw/zinc/29/94/34/985299434.db2.gz UKVCIFBJUBTDEM-UHFFFAOYSA-N 2 1 236.359 2.045 20 0 BEADMP CNc1ccccc1C[NH2+]CC1([NH3+])CCCC1 ZINC001578764211 985331787 /nfs/dbraw/zinc/33/17/87/985331787.db2.gz UPWDUMQVWIQORR-UHFFFAOYSA-N 2 1 233.359 2.089 20 0 BEADMP CO[C@@H](C)C[N@@H+](CCCCCC[NH3+])C(C)C ZINC000688042007 985511925 /nfs/dbraw/zinc/51/19/25/985511925.db2.gz TXLIEXUJDCHBDM-ZDUSSCGKSA-N 2 1 230.396 2.251 20 0 BEADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CC[NH2+]2)cc1 ZINC001579192719 985818552 /nfs/dbraw/zinc/81/85/52/985818552.db2.gz HLRVHCRVJHMDNG-MBNYWOFBSA-N 2 1 248.370 2.139 20 0 BEADMP C[C@@H]([NH2+]CCC[NH3+])c1cc(Cl)ccc1F ZINC001579414898 985887549 /nfs/dbraw/zinc/88/75/49/985887549.db2.gz WXSMFKIYALCSAT-MRVPVSSYSA-N 2 1 230.714 2.479 20 0 BEADMP CCC[C@H]1CCC[N@H+]1CCn1ccnc1C ZINC001460900130 985930790 /nfs/dbraw/zinc/93/07/90/985930790.db2.gz LSYFIQGOAJLMPI-ZDUSSCGKSA-N 2 1 221.348 2.456 20 0 BEADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)CC3CC3)C[C@@H]2C1 ZINC001258471337 985939755 /nfs/dbraw/zinc/93/97/55/985939755.db2.gz ZERXJVPKXWGKGA-AEGPPILISA-N 2 1 236.403 2.449 20 0 BEADMP C[C@@H]1CC[N@@H+](CCC2CCCC2)C[C@H]1[NH3+] ZINC000300747533 986011582 /nfs/dbraw/zinc/01/15/82/986011582.db2.gz JXHFPXQKVKXXPT-DGCLKSJQSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]1COC(C)(C)C[N@H+]1CCCCCC[NH3+] ZINC001579492795 986020981 /nfs/dbraw/zinc/02/09/81/986020981.db2.gz YWERMNHCTHUBEH-LBPRGKRZSA-N 2 1 228.380 2.005 20 0 BEADMP F[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001461679048 986109574 /nfs/dbraw/zinc/10/95/74/986109574.db2.gz UKOXHEIBSBABER-ZOBORPQBSA-N 2 1 240.366 2.484 20 0 BEADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc(C)n1 ZINC001579598178 986112403 /nfs/dbraw/zinc/11/24/03/986112403.db2.gz GYXKIMXDXZRSCI-ZFWWWQNUSA-N 2 1 247.386 2.258 20 0 BEADMP CCCC[C@H](CCC)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001258752888 986116233 /nfs/dbraw/zinc/11/62/33/986116233.db2.gz NAQIJATZUGLOLU-QWHCGFSZSA-N 2 1 228.380 2.005 20 0 BEADMP Cc1ccc(F)c(C[N@@H+](C)CCC2C[NH2+]C2)c1 ZINC001579705496 986187534 /nfs/dbraw/zinc/18/75/34/986187534.db2.gz ACBPAWGJYXIWTL-UHFFFAOYSA-N 2 1 236.334 2.175 20 0 BEADMP Cc1cccc2c1CC(C)(C)[N@H+](C[C@H](C)[NH3+])C2 ZINC001579776239 986218768 /nfs/dbraw/zinc/21/87/68/986218768.db2.gz KLZSGWGWIGQFSQ-LBPRGKRZSA-N 2 1 232.371 2.479 20 0 BEADMP Cc1cccc2c1CC(C)(C)[N@@H+](C[C@H](C)[NH3+])C2 ZINC001579776239 986218783 /nfs/dbraw/zinc/21/87/83/986218783.db2.gz KLZSGWGWIGQFSQ-LBPRGKRZSA-N 2 1 232.371 2.479 20 0 BEADMP C[C@@H]1CCC[C@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC001258825531 986288585 /nfs/dbraw/zinc/28/85/85/986288585.db2.gz DBHSJPLDWQMPCL-MQYQWHSLSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H]1CCC[C@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC001258825531 986288599 /nfs/dbraw/zinc/28/85/99/986288599.db2.gz DBHSJPLDWQMPCL-MQYQWHSLSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H]1CCC[C@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC001258825531 986288624 /nfs/dbraw/zinc/28/86/24/986288624.db2.gz DBHSJPLDWQMPCL-MQYQWHSLSA-N 2 1 222.376 2.059 20 0 BEADMP Cn1c(C[NH2+][C@@H](C[NH3+])C2CC2)cc2ccccc21 ZINC001579945687 986360062 /nfs/dbraw/zinc/36/00/62/986360062.db2.gz RAXCQHDMKNWRGZ-AWEZNQCLSA-N 2 1 243.354 2.005 20 0 BEADMP Cn1c(C[NH2+][C@H](C[NH3+])C2CC2)cc2ccccc21 ZINC001579945688 986360923 /nfs/dbraw/zinc/36/09/23/986360923.db2.gz RAXCQHDMKNWRGZ-CQSZACIVSA-N 2 1 243.354 2.005 20 0 BEADMP CC[C@@H]1C[N@@H+](CCCCCC[NH3+])C[C@H](C)O1 ZINC000689190734 986384137 /nfs/dbraw/zinc/38/41/37/986384137.db2.gz MUTHBKLIEHYMGQ-QWHCGFSZSA-N 2 1 228.380 2.005 20 0 BEADMP C[C@]1(C[N@H+]2CCC[C@H](CCF)C2)CCC[NH2+]C1 ZINC000689421675 986583465 /nfs/dbraw/zinc/58/34/65/986583465.db2.gz MGZCUYDGDYBFFS-KGLIPLIRSA-N 2 1 242.382 2.448 20 0 BEADMP [NH3+][C@H](C[NH2+]CC[C@H]1CC=CCC1)CC(F)F ZINC001580132987 986602279 /nfs/dbraw/zinc/60/22/79/986602279.db2.gz SNQSTNRTWIHEIK-QWRGUYRKSA-N 2 1 232.318 2.305 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2C[C@H]3[C@H](CC3(F)F)C2)CC1 ZINC001254519844 986658995 /nfs/dbraw/zinc/65/89/95/986658995.db2.gz KMOORLADPNCQHC-WOPDTQHZSA-N 2 1 244.329 2.058 20 0 BEADMP C[NH+]1CCC[C@H]([N@H+]2C[C@H]3[C@H](CC3(F)F)C2)CC1 ZINC001254519844 986659013 /nfs/dbraw/zinc/65/90/13/986659013.db2.gz KMOORLADPNCQHC-WOPDTQHZSA-N 2 1 244.329 2.058 20 0 BEADMP C[NH+]1CCC[C@H]([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)CC1 ZINC001254519844 986659022 /nfs/dbraw/zinc/65/90/22/986659022.db2.gz KMOORLADPNCQHC-WOPDTQHZSA-N 2 1 244.329 2.058 20 0 BEADMP C[C@H]1CCCC[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254515819 986664226 /nfs/dbraw/zinc/66/42/26/986664226.db2.gz DKZZQTDVHDGXDD-STQMWFEESA-N 2 1 210.365 2.345 20 0 BEADMP C[C@H]1CCCC[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254515819 986664246 /nfs/dbraw/zinc/66/42/46/986664246.db2.gz DKZZQTDVHDGXDD-STQMWFEESA-N 2 1 210.365 2.345 20 0 BEADMP C[C@H]1CCCC[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254515819 986664259 /nfs/dbraw/zinc/66/42/59/986664259.db2.gz DKZZQTDVHDGXDD-STQMWFEESA-N 2 1 210.365 2.345 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC001254515815 986670678 /nfs/dbraw/zinc/67/06/78/986670678.db2.gz DJLYCFKHCUMNKO-MJBXVCDLSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC001254515815 986670684 /nfs/dbraw/zinc/67/06/84/986670684.db2.gz DJLYCFKHCUMNKO-MJBXVCDLSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@H]([N@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC001254515815 986670691 /nfs/dbraw/zinc/67/06/91/986670691.db2.gz DJLYCFKHCUMNKO-MJBXVCDLSA-N 2 1 222.376 2.203 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001580288772 986731253 /nfs/dbraw/zinc/73/12/53/986731253.db2.gz XMZPOFUAJMLHHK-FVQBIDKESA-N 2 1 244.382 2.461 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCC[C@H]2c2cc[nH]n2)C1 ZINC001580387089 986810762 /nfs/dbraw/zinc/81/07/62/986810762.db2.gz KFFOHIZGWYOYLL-SCRDCRAPSA-N 2 1 248.374 2.064 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCSC1)C2 ZINC001255277484 986885505 /nfs/dbraw/zinc/88/55/05/986885505.db2.gz SIVRKQLHBYVSIC-LPWJVIDDSA-N 2 1 240.416 2.097 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCSC1)C2 ZINC001255277484 986885508 /nfs/dbraw/zinc/88/55/08/986885508.db2.gz SIVRKQLHBYVSIC-LPWJVIDDSA-N 2 1 240.416 2.097 20 0 BEADMP CCCC[C@H](C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001255332200 986928433 /nfs/dbraw/zinc/92/84/33/986928433.db2.gz KSVDMHNOVMPRJZ-LBPRGKRZSA-N 2 1 221.348 2.320 20 0 BEADMP CCCC[C@H](C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001255332200 986928441 /nfs/dbraw/zinc/92/84/41/986928441.db2.gz KSVDMHNOVMPRJZ-LBPRGKRZSA-N 2 1 221.348 2.320 20 0 BEADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000691657808 987288401 /nfs/dbraw/zinc/28/84/01/987288401.db2.gz AIGBDFCZIYVSAN-PFSRBDOWSA-N 2 1 236.403 2.483 20 0 BEADMP C[C@@H](CC[NH2+]Cc1cccc2c1OCC2)[NH+](C)C ZINC000693115425 987305192 /nfs/dbraw/zinc/30/51/92/987305192.db2.gz GUHAVAREOWKVBF-LBPRGKRZSA-N 2 1 248.370 2.051 20 0 BEADMP CCCCC[C@@H](O)C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246020326 987307473 /nfs/dbraw/zinc/30/74/73/987307473.db2.gz KQOVEPXQNLBHEW-ZIAGYGMSSA-N 2 1 242.407 2.131 20 0 BEADMP CCCCC[C@@H](O)C[N@H+](CC)[C@H]1CCC[NH2+]C1 ZINC001246048249 987345394 /nfs/dbraw/zinc/34/53/94/987345394.db2.gz WBFQGFQQGJRHTG-UONOGXRCSA-N 2 1 242.407 2.002 20 0 BEADMP CCCCC[C@@H](O)C[N@@H+](CC)[C@H]1CCC[NH2+]C1 ZINC001246048249 987345397 /nfs/dbraw/zinc/34/53/97/987345397.db2.gz WBFQGFQQGJRHTG-UONOGXRCSA-N 2 1 242.407 2.002 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)[C@H](C)C1 ZINC000697053688 987347430 /nfs/dbraw/zinc/34/74/30/987347430.db2.gz WGLGVGUZTWEZDF-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)[C@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000697052266 987347734 /nfs/dbraw/zinc/34/77/34/987347734.db2.gz MKKSDCIUTCTBJR-KGLIPLIRSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)CC(F)F ZINC000697713467 987365417 /nfs/dbraw/zinc/36/54/17/987365417.db2.gz GWHNVSWJNUNKHA-YEJSDXFRSA-N 2 1 246.345 2.493 20 0 BEADMP C[C@@H](CC[NH2+]Cc1ccc(F)cc1)[NH+](C)C ZINC000697902254 987366807 /nfs/dbraw/zinc/36/68/07/987366807.db2.gz DWPOPOIRWYMGMI-NSHDSACASA-N 2 1 224.323 2.256 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C[NH2+]1 ZINC001246110561 987447121 /nfs/dbraw/zinc/44/71/21/987447121.db2.gz MUQCRMUJQVMYFY-MXWKQRLJSA-N 2 1 232.318 2.152 20 0 BEADMP CC[C@@H](C)OCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246116401 987453760 /nfs/dbraw/zinc/45/37/60/987453760.db2.gz DWJITQKHVLKKSO-AAVRWANBSA-N 2 1 242.407 2.168 20 0 BEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCOc3ccccc32)CC[NH2+]1 ZINC001246115020 987456783 /nfs/dbraw/zinc/45/67/83/987456783.db2.gz QAMLMHVGCZMTFY-SGMGOOAPSA-N 2 1 246.354 2.240 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001246119537 987464199 /nfs/dbraw/zinc/46/41/99/987464199.db2.gz VTNRKKQKYWYLII-UJPOAAIJSA-N 2 1 222.376 2.009 20 0 BEADMP CC[C@H](C[C@@H](C)CC)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246132436 987482049 /nfs/dbraw/zinc/48/20/49/987482049.db2.gz CTUHCTAXBDIRFO-RVMXOQNASA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)CC(CC(C)C)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246137682 987492337 /nfs/dbraw/zinc/49/23/37/987492337.db2.gz ZTYBBDGYJSIDKY-JSGCOSHPSA-N 2 1 224.392 2.399 20 0 BEADMP CC[C@@H](C)[C@H](C)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001473732520 987539995 /nfs/dbraw/zinc/53/99/95/987539995.db2.gz SPYIJGZPECMIPW-MNOVXSKESA-N 2 1 233.359 2.457 20 0 BEADMP CC[C@@H](C)[C@H](C)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001473732520 987540005 /nfs/dbraw/zinc/54/00/05/987540005.db2.gz SPYIJGZPECMIPW-MNOVXSKESA-N 2 1 233.359 2.457 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(F)CCC[NH2+]C2)C[C@H]1C ZINC001246183770 987555821 /nfs/dbraw/zinc/55/58/21/987555821.db2.gz SZLUUBCSUMOATO-YIYPIFLZSA-N 2 1 242.382 2.492 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]C2(Cc3ccccc3)CC2)C[NH2+]1 ZINC001246193964 987584240 /nfs/dbraw/zinc/58/42/40/987584240.db2.gz YPCBZWHMIVZHTG-DZGCQCFKSA-N 2 1 244.382 2.492 20 0 BEADMP C[C@H](CCCC(C)(C)O)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246227331 987625414 /nfs/dbraw/zinc/62/54/14/987625414.db2.gz BYUJAQJQGBADAR-UPJWGTAASA-N 2 1 242.407 2.046 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)C[NH2+]1 ZINC001246228864 987626222 /nfs/dbraw/zinc/62/62/22/987626222.db2.gz GYCLRYSFJHDAOT-BJJPWKGXSA-N 2 1 222.376 2.295 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(C)CCC1 ZINC001474033377 987633503 /nfs/dbraw/zinc/63/35/03/987633503.db2.gz IWGUKLXZAKHVQA-UHFFFAOYSA-N 2 1 233.359 2.427 20 0 BEADMP CC[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccccn1 ZINC001246240603 987640940 /nfs/dbraw/zinc/64/09/40/987640940.db2.gz QYSKABQBKWTTAO-FRRDWIJNSA-N 2 1 233.359 2.263 20 0 BEADMP Cc1ccc(C[NH2+]C2CC[NH2+]CC2)c(Cl)c1 ZINC001246264646 987658899 /nfs/dbraw/zinc/65/88/99/987658899.db2.gz NVLAJLBRWZDDNL-UHFFFAOYSA-N 2 1 238.762 2.490 20 0 BEADMP CCCC[C@H]1C[C@H]([NH2+]CCC(C)(C)[NH3+])CC[NH2+]1 ZINC001246271910 987659763 /nfs/dbraw/zinc/65/97/63/987659763.db2.gz JGHCJVOMSDHPLH-QWHCGFSZSA-N 3 1 241.423 2.014 20 0 BEADMP C[C@@H](C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(O)cc1 ZINC001246273548 987664789 /nfs/dbraw/zinc/66/47/89/987664789.db2.gz PKVJQTMTZQVFNI-OUCADQQQSA-N 2 1 248.370 2.226 20 0 BEADMP CCC[NH2+]CC[NH2+][C@H]1CCc2c(C)cccc2C1 ZINC001246273336 987667267 /nfs/dbraw/zinc/66/72/67/987667267.db2.gz ZEFQSDXGHSSGAP-HNNXBMFYSA-N 2 1 246.398 2.442 20 0 BEADMP CC(=O)c1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001246274290 987670709 /nfs/dbraw/zinc/67/07/09/987670709.db2.gz YUBWEJPXUYFSSW-ABAIWWIYSA-N 2 1 246.354 2.119 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CSc2ccccc2C1 ZINC001246314921 987722360 /nfs/dbraw/zinc/72/23/60/987722360.db2.gz RHCCJNJWNLQCFL-NEPJUHHUSA-N 2 1 236.384 2.030 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC001474471460 987730065 /nfs/dbraw/zinc/73/00/65/987730065.db2.gz NWCMGHGECSOFPA-MELADBBJSA-N 2 1 233.359 2.360 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C[C@@H]1C ZINC001246325018 987731575 /nfs/dbraw/zinc/73/15/75/987731575.db2.gz IODWOOKTZVVCNE-HTOAHKCRSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)C1 ZINC001246328283 987733460 /nfs/dbraw/zinc/73/34/60/987733460.db2.gz WXXBJANRIDGYFV-LPWJVIDDSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]CC2(c3ccccc3)CC2)C[NH2+]1 ZINC001246330610 987737890 /nfs/dbraw/zinc/73/78/90/987737890.db2.gz DEWUWCRMFCCISU-DZGCQCFKSA-N 2 1 244.382 2.448 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C)C[NH2+]1 ZINC001246332408 987739643 /nfs/dbraw/zinc/73/96/43/987739643.db2.gz KZVKDWZGOLKRRQ-ZDEQEGDKSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]CCCCCCCCO)C[NH2+]1 ZINC001246345047 987752412 /nfs/dbraw/zinc/75/24/12/987752412.db2.gz VACOVGSNOTYDHN-UONOGXRCSA-N 2 1 242.407 2.049 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CNc3ccccc32)C[C@H](C)[NH2+]1 ZINC001246354431 987763362 /nfs/dbraw/zinc/76/33/62/987763362.db2.gz FFOGVHCPVZLBDV-OXIQGZBJSA-N 2 1 245.370 2.272 20 0 BEADMP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CNc3ccccc32)CC[NH2+]1 ZINC001246356924 987763607 /nfs/dbraw/zinc/76/36/07/987763607.db2.gz RBQFVFFIOLHSOS-TYNCELHUSA-N 2 1 245.370 2.273 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CNc3ccccc32)C[C@H](C)[NH2+]1 ZINC001246354430 987764315 /nfs/dbraw/zinc/76/43/15/987764315.db2.gz FFOGVHCPVZLBDV-NWJSVONSSA-N 2 1 245.370 2.272 20 0 BEADMP CCCC[C@@H]1C[C@H]([NH2+]C(C)(C)CC[NH3+])CC[NH2+]1 ZINC001246357819 987765574 /nfs/dbraw/zinc/76/55/74/987765574.db2.gz ASTHAITYFFKGAQ-CHWSQXEVSA-N 3 1 241.423 2.014 20 0 BEADMP Cc1cc2c(cn1)[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC001246374792 987775593 /nfs/dbraw/zinc/77/55/93/987775593.db2.gz VHPZQGRCDWQGEM-NJZAAPMLSA-N 2 1 245.370 2.107 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]C(C)(C)CC2CC2)C[NH2+]1 ZINC001246395408 987783559 /nfs/dbraw/zinc/78/35/59/987783559.db2.gz VYRBRTVUYTWNOT-JQWIXIFHSA-N 2 1 210.365 2.295 20 0 BEADMP CC[C@@H](CC(C)C)[NH2+]C[C@H]1C[NH2+]CC(C)(C)O1 ZINC001246413184 987791304 /nfs/dbraw/zinc/79/13/04/987791304.db2.gz OAWKJYRPBFHLFL-QWHCGFSZSA-N 2 1 242.407 2.168 20 0 BEADMP CC[C@H](C[C@@H](C)CC)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246451888 987795189 /nfs/dbraw/zinc/79/51/89/987795189.db2.gz ICOGFOBAZNFFGY-UONOGXRCSA-N 3 1 243.439 2.119 20 0 BEADMP C[C@H]1[C@H]2C[C@@H](C[C@H]1[NH2+][C@H]1CCC[NH2+]C1)C2(C)C ZINC001246442082 987799595 /nfs/dbraw/zinc/79/95/95/987799595.db2.gz GYZDOQPIBKHQMD-QSLWVIQJSA-N 2 1 236.403 2.399 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]C(C)(C)Cc2cccnc2)C[NH2+]1 ZINC001246445255 987802011 /nfs/dbraw/zinc/80/20/11/987802011.db2.gz DXEWYSNSROJZJW-JSGCOSHPSA-N 2 1 247.386 2.133 20 0 BEADMP CC(C)(C[NH2+][C@H]1CCC[NH2+]C1)CC(F)(F)F ZINC001246445765 987802771 /nfs/dbraw/zinc/80/27/71/987802771.db2.gz HWDQKQKAZPZFLX-VIFPVBQESA-N 2 1 238.297 2.307 20 0 BEADMP CCCC[C@@H](CCC)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246453880 987809287 /nfs/dbraw/zinc/80/92/87/987809287.db2.gz QREFFBWGTFTMHK-CQSZACIVSA-N 3 1 243.439 2.263 20 0 BEADMP CC[C@H](C)C[C@H](CC)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246451886 987810549 /nfs/dbraw/zinc/81/05/49/987810549.db2.gz ICOGFOBAZNFFGY-KBPBESRZSA-N 3 1 243.439 2.119 20 0 BEADMP CC(C)CCC[C@@H](C)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246456142 987813402 /nfs/dbraw/zinc/81/34/02/987813402.db2.gz ZLKUWUKXLCTQDB-CQSZACIVSA-N 3 1 243.439 2.119 20 0 BEADMP CCCCCC[C@H](C)[NH2+][C@H]1C[NH2+][C@H](COC)C1 ZINC001246468382 987825544 /nfs/dbraw/zinc/82/55/44/987825544.db2.gz YIKZOGOQFVJZSU-MJBXVCDLSA-N 2 1 242.407 2.312 20 0 BEADMP C[C@H]1C[NH2+]C[C@@H]([NH2+][C@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC001246490578 987843512 /nfs/dbraw/zinc/84/35/12/987843512.db2.gz DZQHUAVFGRRLQN-DGTMBMJNSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cncc(Cl)c1 ZINC001246490909 987846980 /nfs/dbraw/zinc/84/69/80/987846980.db2.gz RAOLQJIRJNULFY-SECBINFHSA-N 2 1 239.750 2.138 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246496437 987849912 /nfs/dbraw/zinc/84/99/12/987849912.db2.gz UKQINANDJXXSHP-FHUSYTEZSA-N 2 1 210.365 2.151 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3O)CC[NH2+]1 ZINC001246504033 987855619 /nfs/dbraw/zinc/85/56/19/987855619.db2.gz OXXGPWATHUPPSI-GYSYKLTISA-N 2 1 246.354 2.110 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@@H]3C[C@@H]32)CC(C)(C)C1 ZINC001246504050 987855818 /nfs/dbraw/zinc/85/58/18/987855818.db2.gz PGIJUDWCWMQPTF-IKOXMDCHSA-N 2 1 236.403 2.399 20 0 BEADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1C[NH2+]C[C@H]2C[C@H]21 ZINC001246504757 987860283 /nfs/dbraw/zinc/86/02/83/987860283.db2.gz RXRBQBZXFWRVOX-MEBFFEOJSA-N 2 1 224.392 2.399 20 0 BEADMP CCC[N@@H+]([C@@H](C)CC)[C@@H](C)CC[NH2+]C ZINC001246526804 987879179 /nfs/dbraw/zinc/87/91/79/987879179.db2.gz CRIXAFALJCJEMQ-RYUDHWBXSA-N 2 1 200.370 2.495 20 0 BEADMP C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)C[C@H]1C ZINC001246532801 987889129 /nfs/dbraw/zinc/88/91/29/987889129.db2.gz KFPNBJLESLLKJU-FDYHWXHSSA-N 2 1 222.376 2.234 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]([NH3+])C3(CC3)C2)C[C@H]1C ZINC001246532801 987889135 /nfs/dbraw/zinc/88/91/35/987889135.db2.gz KFPNBJLESLLKJU-FDYHWXHSSA-N 2 1 222.376 2.234 20 0 BEADMP CC1(C)CCC[C@@H]([N@H+]2C[C@@H]([NH3+])C3(CC3)C2)C1 ZINC001246533422 987889705 /nfs/dbraw/zinc/88/97/05/987889705.db2.gz NNBNWQGFGJTMEC-VXGBXAGGSA-N 2 1 222.376 2.378 20 0 BEADMP CC1(C)CCC[C@@H]([N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)C1 ZINC001246533422 987889702 /nfs/dbraw/zinc/88/97/02/987889702.db2.gz NNBNWQGFGJTMEC-VXGBXAGGSA-N 2 1 222.376 2.378 20 0 BEADMP CC[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]([NH3+])CC2)C1 ZINC001246539261 987900426 /nfs/dbraw/zinc/90/04/26/987900426.db2.gz GPBUZHPAQFDDKA-FRRDWIJNSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@H]1C[N@H+]([C@@H]2CCC[C@H](C)C2)C[C@H]1C[NH3+] ZINC001246539296 987900840 /nfs/dbraw/zinc/90/08/40/987900840.db2.gz HECQLJLNRQBCLU-WUHRBBMRSA-N 2 1 210.365 2.092 20 0 BEADMP CSC(C)(C)C[C@@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246540740 987901542 /nfs/dbraw/zinc/90/15/42/987901542.db2.gz KATOVLKNHYSGIP-QJPTWQEYSA-N 2 1 244.448 2.433 20 0 BEADMP C[C@H]1C[N@H+]([C@@H]2CCC(C)(C)C2)C[C@H]1C[NH3+] ZINC001246542455 987909289 /nfs/dbraw/zinc/90/92/89/987909289.db2.gz PKVBNCCTCMPCOM-QJPTWQEYSA-N 2 1 210.365 2.092 20 0 BEADMP CC1(C)CC[C@@H]([N@H+]2CCC[C@H]([NH3+])CC2)C1 ZINC001246545343 987919640 /nfs/dbraw/zinc/91/96/40/987919640.db2.gz JHKFRHAUBAUUCY-NWDGAFQWSA-N 2 1 210.365 2.378 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246546437 987927570 /nfs/dbraw/zinc/92/75/70/987927570.db2.gz MVOGMSJDLZNJJX-XUXIUFHCSA-N 2 1 242.407 2.392 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246546437 987927578 /nfs/dbraw/zinc/92/75/78/987927578.db2.gz MVOGMSJDLZNJJX-XUXIUFHCSA-N 2 1 242.407 2.392 20 0 BEADMP CC[C@H]1CC[C@H]([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)C1 ZINC001246547745 987931719 /nfs/dbraw/zinc/93/17/19/987931719.db2.gz NBRVWLZDDNQPIM-RVMXOQNASA-N 2 1 210.365 2.092 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@](C)([NH3+])CC2)C1 ZINC001246549963 987942135 /nfs/dbraw/zinc/94/21/35/987942135.db2.gz IXCDXLRHZATUQO-AGIUHOORSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@]1([NH3+])CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC001246551058 987944777 /nfs/dbraw/zinc/94/47/77/987944777.db2.gz KISMRTZLDQLAPN-INIZCTEOSA-N 2 1 244.382 2.357 20 0 BEADMP [NH3+]C[C@@]1(F)CCC[N@H+]([C@H]2CCCSC2)CC1 ZINC001246551064 987948126 /nfs/dbraw/zinc/94/81/26/987948126.db2.gz OUDAKWATTAVEMW-NWDGAFQWSA-N 2 1 246.395 2.035 20 0 BEADMP CC1(C)CC[C@H]([N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)C1 ZINC001246553309 987961559 /nfs/dbraw/zinc/96/15/59/987961559.db2.gz AUEMDAXSVSUTQF-QWRGUYRKSA-N 2 1 246.345 2.481 20 0 BEADMP CCSC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246555734 987966300 /nfs/dbraw/zinc/96/63/00/987966300.db2.gz GAKMJGFCRLIZSJ-AGIUHOORSA-N 2 1 244.448 2.435 20 0 BEADMP CCOCC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246557352 987975517 /nfs/dbraw/zinc/97/55/17/987975517.db2.gz KQYSUULNKBPTPX-MELADBBJSA-N 2 1 242.407 2.108 20 0 BEADMP CCSC[C@@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246557298 987976692 /nfs/dbraw/zinc/97/66/92/987976692.db2.gz KKUIOOFCGJDLNN-VXGBXAGGSA-N 2 1 248.411 2.281 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001118019117 987979993 /nfs/dbraw/zinc/97/99/93/987979993.db2.gz NSQJKOPJRWRGCU-OAHLLOKOSA-N 2 1 232.371 2.248 20 0 BEADMP CCc1cccc(F)c1C[NH2+]CC[C@H](C)[NH2+]C ZINC001118019148 987986466 /nfs/dbraw/zinc/98/64/66/987986466.db2.gz ODEBHXOGZWUMMM-NSHDSACASA-N 2 1 238.350 2.476 20 0 BEADMP CSCC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246559541 987987312 /nfs/dbraw/zinc/98/73/12/987987312.db2.gz BFLYFGWCWZSRHI-RWMBFGLXSA-N 2 1 244.448 2.435 20 0 BEADMP CC[C@@H](C)OCC[C@@H](C)[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246561876 987996863 /nfs/dbraw/zinc/99/68/63/987996863.db2.gz GYAAJXMSTLJZLK-SYQHCUMBSA-N 2 1 242.407 2.249 20 0 BEADMP C[C@H](CC1CC1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246563702 988006123 /nfs/dbraw/zinc/00/61/23/988006123.db2.gz XNYZMGKPMNROIE-YRGRVCCFSA-N 2 1 224.392 2.482 20 0 BEADMP Cc1cccc2c1C[N@@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246566664 988024213 /nfs/dbraw/zinc/02/42/13/988024213.db2.gz IPSNYJRUCORMBQ-OCCSQVGLSA-N 2 1 230.355 2.451 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@@H]1CCCOc2ccccc21 ZINC001118122036 988028215 /nfs/dbraw/zinc/02/82/15/988028215.db2.gz NBTYWEAXLLFZJE-GXTWGEPZSA-N 2 1 248.370 2.488 20 0 BEADMP C[C@H](Cc1ccco1)[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246568181 988044602 /nfs/dbraw/zinc/04/46/02/988044602.db2.gz MGSCWYQNSVBJFA-JHJVBQTASA-N 2 1 236.359 2.270 20 0 BEADMP C[C@H](Cc1ccco1)[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246568181 988044620 /nfs/dbraw/zinc/04/46/20/988044620.db2.gz MGSCWYQNSVBJFA-JHJVBQTASA-N 2 1 236.359 2.270 20 0 BEADMP CCC[C@H](CC)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246595234 988187156 /nfs/dbraw/zinc/18/71/56/988187156.db2.gz XYTCYYQWSOLNHJ-QJPTWQEYSA-N 2 1 216.344 2.326 20 0 BEADMP CCC[C@H](CC)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246595234 988187170 /nfs/dbraw/zinc/18/71/70/988187170.db2.gz XYTCYYQWSOLNHJ-QJPTWQEYSA-N 2 1 216.344 2.326 20 0 BEADMP [NH3+][C@H]1CC[N@@H+](C2CCCCCC2)CC[C@H]1F ZINC001246596116 988198908 /nfs/dbraw/zinc/19/89/08/988198908.db2.gz ZGIMYVYSXZMMQG-OLZOCXBDSA-N 2 1 228.355 2.470 20 0 BEADMP [NH3+][C@H]1CC[N@H+](C2CCCCCC2)CC[C@H]1F ZINC001246596116 988198930 /nfs/dbraw/zinc/19/89/30/988198930.db2.gz ZGIMYVYSXZMMQG-OLZOCXBDSA-N 2 1 228.355 2.470 20 0 BEADMP CSC(C)(C)C[C@@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246633287 988313891 /nfs/dbraw/zinc/31/38/91/988313891.db2.gz LFVDUOUSWVPBLZ-GRYCIOLGSA-N 2 1 242.432 2.343 20 0 BEADMP CSC(C)(C)C[C@@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246633287 988313906 /nfs/dbraw/zinc/31/39/06/988313906.db2.gz LFVDUOUSWVPBLZ-GRYCIOLGSA-N 2 1 242.432 2.343 20 0 BEADMP CCCCC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246635875 988325978 /nfs/dbraw/zinc/32/59/78/988325978.db2.gz SOXZOOXOMPSSCJ-RWMBFGLXSA-N 2 1 210.365 2.391 20 0 BEADMP CCCCC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246635875 988325996 /nfs/dbraw/zinc/32/59/96/988325996.db2.gz SOXZOOXOMPSSCJ-RWMBFGLXSA-N 2 1 210.365 2.391 20 0 BEADMP CC(C)CC[C@@H](C)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246636052 988333049 /nfs/dbraw/zinc/33/30/49/988333049.db2.gz KSJMIFGNJKZOJT-HZSPNIEDSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)CC[C@@H](C)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246636052 988333059 /nfs/dbraw/zinc/33/30/59/988333059.db2.gz KSJMIFGNJKZOJT-HZSPNIEDSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246640310 988337037 /nfs/dbraw/zinc/33/70/37/988337037.db2.gz SBRGLLAOYXLWIT-YVECIDJPSA-N 2 1 208.349 2.001 20 0 BEADMP CCCCC[C@H](CC)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246642863 988349191 /nfs/dbraw/zinc/34/91/91/988349191.db2.gz DROMRVAZDMTHJH-AVGNSLFASA-N 2 1 210.365 2.378 20 0 BEADMP CCCCC[C@H](CC)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246642863 988349210 /nfs/dbraw/zinc/34/92/10/988349210.db2.gz DROMRVAZDMTHJH-AVGNSLFASA-N 2 1 210.365 2.378 20 0 BEADMP CCCCCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246646959 988361345 /nfs/dbraw/zinc/36/13/45/988361345.db2.gz RDFUTDBORRKJMO-AGIUHOORSA-N 2 1 210.365 2.378 20 0 BEADMP CCCCCC[C@@H](C)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246646959 988361348 /nfs/dbraw/zinc/36/13/48/988361348.db2.gz RDFUTDBORRKJMO-AGIUHOORSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3CCC[C@@H]3C2)CC[NH2+]1 ZINC001246653412 988375458 /nfs/dbraw/zinc/37/54/58/988375458.db2.gz DMLRGTQBXRZTRB-XJFOESAGSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3CCC[C@@H]3C2)CC[NH2+]1 ZINC001246653412 988375472 /nfs/dbraw/zinc/37/54/72/988375472.db2.gz DMLRGTQBXRZTRB-XJFOESAGSA-N 2 1 222.376 2.249 20 0 BEADMP CC[C@@H](C)C[C@H](CC)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246653446 988381237 /nfs/dbraw/zinc/38/12/37/988381237.db2.gz SZABWMCKKATUHC-ZOBORPQBSA-N 2 1 224.392 2.495 20 0 BEADMP CCCCC[C@H](CC)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246657994 988383566 /nfs/dbraw/zinc/38/35/66/988383566.db2.gz BMGXNDCTDAUABS-RVMXOQNASA-N 2 1 210.365 2.234 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3CCC[C@@H]3C2)C[NH2+]1 ZINC001246655754 988383667 /nfs/dbraw/zinc/38/36/67/988383667.db2.gz KPWDWZPXUFMISZ-RQJABVFESA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3CCC[C@@H]3C2)C[NH2+]1 ZINC001246655756 988386865 /nfs/dbraw/zinc/38/68/65/988386865.db2.gz KPWDWZPXUFMISZ-SYQHCUMBSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CC[NH2+]1 ZINC001246656404 988387024 /nfs/dbraw/zinc/38/70/24/988387024.db2.gz NOJKRZHMJRVRJY-WYUUTHIRSA-N 2 1 244.329 2.104 20 0 BEADMP CC(C)CC(CC(C)C)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246662260 988396115 /nfs/dbraw/zinc/39/61/15/988396115.db2.gz YRHLZTICZOHNDD-WDNDVIMCSA-N 2 1 224.392 2.336 20 0 BEADMP Cc1ccc(C[C@H](C)[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001246663005 988400467 /nfs/dbraw/zinc/40/04/67/988400467.db2.gz WRGWQDQJPZEPLB-CWRNSKLLSA-N 2 1 244.382 2.349 20 0 BEADMP Cc1ccc(C[C@H](C)[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001246663005 988400477 /nfs/dbraw/zinc/40/04/77/988400477.db2.gz WRGWQDQJPZEPLB-CWRNSKLLSA-N 2 1 244.382 2.349 20 0 BEADMP CC1(C)[C@@H]2C[C@H]([N@H+]3C[C@H]4CCC[C@@]4([NH3+])C3)C[C@@H]21 ZINC001246661435 988400906 /nfs/dbraw/zinc/40/09/06/988400906.db2.gz FPECUQPQFVHLJZ-ZHZXCYKASA-N 2 1 234.387 2.234 20 0 BEADMP CCC[C@H](CC)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246665812 988404736 /nfs/dbraw/zinc/40/47/36/988404736.db2.gz QQOWPRYRYAKAIZ-FRRDWIJNSA-N 2 1 210.365 2.378 20 0 BEADMP CCCC[C@@H](CC)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246667395 988408247 /nfs/dbraw/zinc/40/82/47/988408247.db2.gz KABQJUBGNWPMEC-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3CC[NH2+]C[C@H]32)CC(C)(C)C1 ZINC001246666987 988411586 /nfs/dbraw/zinc/41/15/86/988411586.db2.gz WPTVHIXJEFJZDV-YIYPIFLZSA-N 2 1 236.403 2.495 20 0 BEADMP CC(C)C1CCC([N@H+]2C[C@H]3C[NH2+]CC[C@H]32)CC1 ZINC001246677667 988426049 /nfs/dbraw/zinc/42/60/49/988426049.db2.gz WWEBOSCGNKFHHB-HXSCFSKGSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H](c3cccnc3)C2)CC[NH2+]1 ZINC001246790551 988466399 /nfs/dbraw/zinc/46/63/99/988466399.db2.gz HMDUONJATYGBMD-VHDGCEQUSA-N 2 1 245.370 2.011 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CCCC3(C[NH2+]C3)C2)C[C@@H]1C ZINC001246792229 988467828 /nfs/dbraw/zinc/46/78/28/988467828.db2.gz ORBVMOXMLUWNIW-HZSPNIEDSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](c3cccnc3)C2)CC[NH2+]1 ZINC001246790550 988468907 /nfs/dbraw/zinc/46/89/07/988468907.db2.gz HMDUONJATYGBMD-SNPRPXQTSA-N 2 1 245.370 2.011 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+]2Cc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246814950 988498161 /nfs/dbraw/zinc/49/81/61/988498161.db2.gz ASOUQRAXHPLEPX-YGRLFVJLSA-N 2 1 234.318 2.282 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2Cc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246814950 988498172 /nfs/dbraw/zinc/49/81/72/988498172.db2.gz ASOUQRAXHPLEPX-YGRLFVJLSA-N 2 1 234.318 2.282 20 0 BEADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001246822524 988512164 /nfs/dbraw/zinc/51/21/64/988512164.db2.gz BKPBOBWWVZKDJI-MJBXVCDLSA-N 2 1 242.407 2.107 20 0 BEADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001246822524 988512175 /nfs/dbraw/zinc/51/21/75/988512175.db2.gz BKPBOBWWVZKDJI-MJBXVCDLSA-N 2 1 242.407 2.107 20 0 BEADMP C[NH2+]CC[C@@H](C)[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001246830484 988523395 /nfs/dbraw/zinc/52/33/95/988523395.db2.gz BUBMBTSLYOJWRO-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP C1CC[C@H]2C[N@H+]([C@H]3CCC[NH2+]C3)CC[C@H]2C1 ZINC001246833780 988527744 /nfs/dbraw/zinc/52/77/44/988527744.db2.gz ICLNTGGGMVODTQ-RDBSUJKOSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])C[C@@H]1C ZINC001246841220 988547525 /nfs/dbraw/zinc/54/75/25/988547525.db2.gz NAUFFWJWDCPYLB-ARSDKDGVSA-N 2 1 236.403 2.480 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246850257 988564666 /nfs/dbraw/zinc/56/46/66/988564666.db2.gz BWOUWYNYSLOQBZ-XDQVBPFNSA-N 2 1 240.391 2.003 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246850257 988564677 /nfs/dbraw/zinc/56/46/77/988564677.db2.gz BWOUWYNYSLOQBZ-XDQVBPFNSA-N 2 1 240.391 2.003 20 0 BEADMP CCCCC[C@H](C)[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246857566 988587400 /nfs/dbraw/zinc/58/74/00/988587400.db2.gz AZWHTYFKLVCCOG-AVGNSLFASA-N 2 1 210.365 2.378 20 0 BEADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](C1CCCCCC1)C2 ZINC001246862766 988603741 /nfs/dbraw/zinc/60/37/41/988603741.db2.gz RHYPIDMGCSDFNF-DGCLKSJQSA-N 2 1 208.349 2.132 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)Cc2ccc(C)cc2)C1 ZINC001246863884 988606759 /nfs/dbraw/zinc/60/67/59/988606759.db2.gz LZQIQHZPHLTMDG-HOCLYGCPSA-N 2 1 246.398 2.467 20 0 BEADMP CCCC[C@H](CC)[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246863951 988611093 /nfs/dbraw/zinc/61/10/93/988611093.db2.gz STXCJZAOWKDXBZ-AGIUHOORSA-N 2 1 210.365 2.378 20 0 BEADMP CC1CCC([N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)CC1 ZINC001246869266 988626611 /nfs/dbraw/zinc/62/66/11/988626611.db2.gz VCMRUVKHFHMUGK-QPPOZKHWSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)C[C@@H]1C ZINC001246870039 988630593 /nfs/dbraw/zinc/63/05/93/988630593.db2.gz YDIUWPDLKVJLOP-CAEXGNQWSA-N 2 1 236.403 2.495 20 0 BEADMP CC(C)CCC[C@H](C)[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246876477 988646846 /nfs/dbraw/zinc/64/68/46/988646846.db2.gz ZQCJHQBMKGUNCY-YNEHKIRRSA-N 2 1 210.365 2.234 20 0 BEADMP CC(C)CCC[C@H](C)[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246876477 988646851 /nfs/dbraw/zinc/64/68/51/988646851.db2.gz ZQCJHQBMKGUNCY-YNEHKIRRSA-N 2 1 210.365 2.234 20 0 BEADMP CCC[N@@H+](C1CCOCC1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246900264 988673844 /nfs/dbraw/zinc/67/38/44/988673844.db2.gz UOTJSRDMYYEVPC-OCCSQVGLSA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)C1CCC([N@@H+]2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246921247 988727776 /nfs/dbraw/zinc/72/77/76/988727776.db2.gz RTPVMOCXZQQQOW-HHTDUIENSA-N 2 1 222.376 2.105 20 0 BEADMP CC(C)C1CCC([N@H+]2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246921247 988727790 /nfs/dbraw/zinc/72/77/90/988727790.db2.gz RTPVMOCXZQQQOW-HHTDUIENSA-N 2 1 222.376 2.105 20 0 BEADMP C[C@@H](Cc1ccco1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246936824 988769760 /nfs/dbraw/zinc/76/97/60/988769760.db2.gz XRPDLRIJLABAHP-MELADBBJSA-N 2 1 248.370 2.142 20 0 BEADMP CCCC1CCC([N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246947160 988778149 /nfs/dbraw/zinc/77/81/49/988778149.db2.gz JDHVQUIJPPBWIW-QSCRHYGLSA-N 2 1 236.403 2.495 20 0 BEADMP Cc1ccc2c(c1)CC[N@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246964132 988795902 /nfs/dbraw/zinc/79/59/02/988795902.db2.gz BQPNCDANRVMFON-CJNGLKHVSA-N 2 1 244.382 2.494 20 0 BEADMP C[C@H]([NH3+])C[N@H+](C)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001246982497 988817416 /nfs/dbraw/zinc/81/74/16/988817416.db2.gz WTOQZMKYKLOUEA-ZANVPECISA-N 2 1 238.762 2.086 20 0 BEADMP C[C@H]([NH3+])C[N@@H+](C)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001246982497 988817419 /nfs/dbraw/zinc/81/74/19/988817419.db2.gz WTOQZMKYKLOUEA-ZANVPECISA-N 2 1 238.762 2.086 20 0 BEADMP CCCCC[C@@H](CC)[N@@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246988935 988821915 /nfs/dbraw/zinc/82/19/15/988821915.db2.gz KWCPVCGPCPMGRN-CHWSQXEVSA-N 2 1 240.391 2.005 20 0 BEADMP CCCCC[C@@H](CC)[N@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246988935 988821920 /nfs/dbraw/zinc/82/19/20/988821920.db2.gz KWCPVCGPCPMGRN-CHWSQXEVSA-N 2 1 240.391 2.005 20 0 BEADMP CCCC[C@@H](CCC)[N@@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246993025 988824042 /nfs/dbraw/zinc/82/40/42/988824042.db2.gz YOJIBYNPBYNZDD-OLZOCXBDSA-N 2 1 240.391 2.005 20 0 BEADMP CCCC[C@@H](CCC)[N@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246993025 988824046 /nfs/dbraw/zinc/82/40/46/988824046.db2.gz YOJIBYNPBYNZDD-OLZOCXBDSA-N 2 1 240.391 2.005 20 0 BEADMP CSCC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247006514 988835177 /nfs/dbraw/zinc/83/51/77/988835177.db2.gz ADJQPBNDRHPMFW-AVGNSLFASA-N 2 1 242.432 2.202 20 0 BEADMP CSCC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247006514 988835186 /nfs/dbraw/zinc/83/51/86/988835186.db2.gz ADJQPBNDRHPMFW-AVGNSLFASA-N 2 1 242.432 2.202 20 0 BEADMP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)C[C@@H]21 ZINC001247016730 988844920 /nfs/dbraw/zinc/84/49/20/988844920.db2.gz XNSNGCQBUWHFIX-ARILJUKYSA-N 2 1 248.414 2.495 20 0 BEADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)C[C@@H]21 ZINC001247016730 988844922 /nfs/dbraw/zinc/84/49/22/988844922.db2.gz XNSNGCQBUWHFIX-ARILJUKYSA-N 2 1 248.414 2.495 20 0 BEADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@@]1(C)c1ccccc1 ZINC001119347951 988989742 /nfs/dbraw/zinc/98/97/42/988989742.db2.gz UAUSQICEFMZEQO-OCCSQVGLSA-N 2 1 218.344 2.345 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccn2C2CC2)C1 ZINC001325110422 989085922 /nfs/dbraw/zinc/08/59/22/989085922.db2.gz ACXYGNBHWUYSCE-ZDUSSCGKSA-N 2 1 247.386 2.207 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccn2C2CC2)C1 ZINC001325110422 989085933 /nfs/dbraw/zinc/08/59/33/989085933.db2.gz ACXYGNBHWUYSCE-ZDUSSCGKSA-N 2 1 247.386 2.207 20 0 BEADMP Cc1cc(F)cc(N2CC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC001120851616 989925850 /nfs/dbraw/zinc/92/58/50/989925850.db2.gz XWQFHIMAQRLPLX-CQSZACIVSA-N 2 1 249.333 2.061 20 0 BEADMP C[N@@H+]1Cc2ccccc2[C@H](Nc2cc[nH+]cc2)C1 ZINC001120860226 989927980 /nfs/dbraw/zinc/92/79/80/989927980.db2.gz FVSOARAJLRBEDB-OAHLLOKOSA-N 2 1 239.322 2.102 20 0 BEADMP C[N@@H+]1Cc2ccccc2[C@@H](Nc2cc[nH+]cc2)C1 ZINC001120860225 989928399 /nfs/dbraw/zinc/92/83/99/989928399.db2.gz FVSOARAJLRBEDB-HNNXBMFYSA-N 2 1 239.322 2.102 20 0 BEADMP CCC(CC)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001308554268 991035220 /nfs/dbraw/zinc/03/52/20/991035220.db2.gz NPJMDGMEQZUKHS-HZSPNIEDSA-N 2 1 224.392 2.352 20 0 BEADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H](C)Cc1ccco1 ZINC001258176320 991073943 /nfs/dbraw/zinc/07/39/43/991073943.db2.gz PRHQDFVDPHLQBF-JTQLQIEISA-N 2 1 233.315 2.089 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)[C@@H](C)CCSC ZINC001258224065 991162174 /nfs/dbraw/zinc/16/21/74/991162174.db2.gz KFSBKJHPUADTQA-LBPRGKRZSA-N 2 1 232.437 2.402 20 0 BEADMP CC(C)SCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001308984342 991235247 /nfs/dbraw/zinc/23/52/47/991235247.db2.gz HGSBODJXOVUNOB-RWMBFGLXSA-N 2 1 242.432 2.058 20 0 BEADMP CSC(C)(C)C[C@@H](C)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001258335129 991262036 /nfs/dbraw/zinc/26/20/36/991262036.db2.gz XFIUVFMPDHFRIB-GHMZBOCLSA-N 2 1 232.437 2.433 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)[C@H](C)CC1CC1 ZINC001258470109 991433491 /nfs/dbraw/zinc/43/34/91/991433491.db2.gz LKFRLBITMXTKDB-GFCCVEGCSA-N 2 1 212.381 2.449 20 0 BEADMP CC1(C)CC[C@@H]([N@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001258608164 991525142 /nfs/dbraw/zinc/52/51/42/991525142.db2.gz ZMEYWGVAMMVAAQ-GFCCVEGCSA-N 2 1 233.359 2.320 20 0 BEADMP CC1(C)CC[C@@H]([N@@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001258608164 991525156 /nfs/dbraw/zinc/52/51/56/991525156.db2.gz ZMEYWGVAMMVAAQ-GFCCVEGCSA-N 2 1 233.359 2.320 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2(C[NH3+])CC2)CC(C)(C)C1 ZINC001258692979 991627550 /nfs/dbraw/zinc/62/75/50/991627550.db2.gz SMPUVVCZNSZPGC-GHMZBOCLSA-N 2 1 210.365 2.282 20 0 BEADMP Cn1ccc(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC001561051668 991704548 /nfs/dbraw/zinc/70/45/48/991704548.db2.gz FLSHYUWCXDKPHD-UHFFFAOYSA-N 2 1 249.402 2.378 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12)C1CCC1 ZINC001561053641 991710910 /nfs/dbraw/zinc/71/09/10/991710910.db2.gz XZYWYUREPOJRHZ-CBBWQLFWSA-N 2 1 236.403 2.495 20 0 BEADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CCC[C@@H](C)C1 ZINC001258806684 991807176 /nfs/dbraw/zinc/80/71/76/991807176.db2.gz FHNOMVKHGRSTNQ-PWSUYJOCSA-N 2 1 221.348 2.444 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC1(F)F ZINC001258896996 991890239 /nfs/dbraw/zinc/89/02/39/991890239.db2.gz BKHPCIYVKISNFE-WDEREUQCSA-N 2 1 234.334 2.494 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CCN)C(C)C ZINC001258898288 991891477 /nfs/dbraw/zinc/89/14/77/991891477.db2.gz HQUKKCHAPGYPCQ-AWEZNQCLSA-N 2 1 243.439 2.166 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001258902842 991895236 /nfs/dbraw/zinc/89/52/36/991895236.db2.gz HEMQRVDPJUXSNB-KBPBESRZSA-N 2 1 243.439 2.024 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)CC(C)=O ZINC001258908607 991900600 /nfs/dbraw/zinc/90/06/00/991900600.db2.gz YRVXIXMXKWSFBR-LBPRGKRZSA-N 2 1 228.380 2.018 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@H](C)C1 ZINC001258907561 991900866 /nfs/dbraw/zinc/90/08/66/991900866.db2.gz KMVMPSHGQDNYJK-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[NH+]1C[C@@H](F)[C@H](F)C1 ZINC001258908292 991901616 /nfs/dbraw/zinc/90/16/16/991901616.db2.gz ULHLEECAGSAPBX-YNEHKIRRSA-N 2 1 248.361 2.489 20 0 BEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001261370807 992280221 /nfs/dbraw/zinc/28/02/21/992280221.db2.gz VCIGDOPNIOYFCQ-GHMZBOCLSA-N 2 1 218.344 2.001 20 0 BEADMP C[C@@H]([NH2+]C/C=C\C1CC1)c1c[nH+]ccc1N ZINC001261423665 992296805 /nfs/dbraw/zinc/29/68/05/992296805.db2.gz BDRQHLIIRFQXBX-MXQLGCADSA-N 2 1 217.316 2.111 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@H]3C3CC3)[C@@H]2C1 ZINC001474756468 992511497 /nfs/dbraw/zinc/51/14/97/992511497.db2.gz GSWPMXFINWBMHY-AHDPXTMNSA-N 2 1 234.387 2.105 20 0 BEADMP CC(C)C1CC([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)C1 ZINC001474757405 992524084 /nfs/dbraw/zinc/52/40/84/992524084.db2.gz VSLRNXZGWWHELY-HKKVPVCXSA-N 2 1 236.403 2.351 20 0 BEADMP [NH3+]C1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC001574270775 992834591 /nfs/dbraw/zinc/83/45/91/992834591.db2.gz QTDBHJIPUNLTBD-UHFFFAOYSA-N 2 1 230.311 2.356 20 0 BEADMP Cc1c[nH+]c2ccccc2c1NC[C@@H]1CC[N@@H+]1C ZINC001262373597 992867100 /nfs/dbraw/zinc/86/71/00/992867100.db2.gz FLFQOBCFJOARPP-LBPRGKRZSA-N 2 1 241.338 2.081 20 0 BEADMP C([N@@H+](C1CC1)C1CCCCC1)[C@]12C[C@H]1C[NH2+]C2 ZINC001574794556 992906324 /nfs/dbraw/zinc/90/63/24/992906324.db2.gz DVFRDXKQKDIXOK-SWLSCSKDSA-N 2 1 234.387 2.393 20 0 BEADMP CC(C)(C)[C@@H]1CCC[N@H+]1C[C@]12C[C@H]1C[NH2+]C2 ZINC001575120257 992990006 /nfs/dbraw/zinc/99/00/06/992990006.db2.gz SJKHKGLQXYGZOJ-SGMGOOAPSA-N 2 1 222.376 2.106 20 0 BEADMP CC(C)(C[NH3+])[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC001575318382 993010317 /nfs/dbraw/zinc/01/03/17/993010317.db2.gz SLKLKWUMKXHENU-JSGCOSHPSA-N 2 1 247.386 2.435 20 0 BEADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cccn1C(F)F ZINC001575417904 993036665 /nfs/dbraw/zinc/03/66/65/993036665.db2.gz JIZJEHCZLKUTRS-LBPRGKRZSA-N 2 1 245.317 2.346 20 0 BEADMP CC(C)[C@@H]1CC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC001575508349 993062396 /nfs/dbraw/zinc/06/23/96/993062396.db2.gz SIFOZKDQKXBLQP-STQMWFEESA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)C[C@@H](C[NH3+])[NH2+]C[C@H]1CC=CCC1 ZINC001575543945 993066687 /nfs/dbraw/zinc/06/66/87/993066687.db2.gz DQGPPQGMGXWUGR-STQMWFEESA-N 2 1 210.365 2.306 20 0 BEADMP CC(C)CSCCC[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001575618041 993084613 /nfs/dbraw/zinc/08/46/13/993084613.db2.gz XRHVGSYQJUHSNG-VXGBXAGGSA-N 2 1 230.421 2.045 20 0 BEADMP CC(C)CSCCC[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001575618041 993084622 /nfs/dbraw/zinc/08/46/22/993084622.db2.gz XRHVGSYQJUHSNG-VXGBXAGGSA-N 2 1 230.421 2.045 20 0 BEADMP CC(C)c1ccccc1C[NH2+]CC1([NH3+])CC1 ZINC001575863338 993115409 /nfs/dbraw/zinc/11/54/09/993115409.db2.gz ITSUFHSRQVWWQN-UHFFFAOYSA-N 2 1 218.344 2.391 20 0 BEADMP CC(C)CC[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC000378759784 993202670 /nfs/dbraw/zinc/20/26/70/993202670.db2.gz APQZYVLCLCYTRY-RWMBFGLXSA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)CC[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC000378759784 993202677 /nfs/dbraw/zinc/20/26/77/993202677.db2.gz APQZYVLCLCYTRY-RWMBFGLXSA-N 2 1 210.365 2.105 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC3)CC1 ZINC000378809309 993204482 /nfs/dbraw/zinc/20/44/82/993204482.db2.gz ZASUODYREVCHER-MRXNPFEDSA-N 2 1 244.382 2.489 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+]2CC3CCC2CC3)CC[NH2+]1 ZINC000379821945 993280727 /nfs/dbraw/zinc/28/07/27/993280727.db2.gz USQHSHGRBINMBA-IKWCTNDRSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CC3CCC2CC3)CC[NH2+]1 ZINC000379821945 993280737 /nfs/dbraw/zinc/28/07/37/993280737.db2.gz USQHSHGRBINMBA-IKWCTNDRSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000379928232 993297333 /nfs/dbraw/zinc/29/73/33/993297333.db2.gz TVMHHFDHKHFVSX-CRWXNKLISA-N 2 1 240.391 2.003 20 0 BEADMP CC1(C)CC[C@@H](C[NH2+]C2CC(C(F)F)C2)[NH2+]C1 ZINC001576421590 993300096 /nfs/dbraw/zinc/30/00/96/993300096.db2.gz NRXSVTOJKQHNRN-YVNMAJEFSA-N 2 1 246.345 2.398 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](c3ccco3)C2)CC[NH2+]1 ZINC001576598826 993363271 /nfs/dbraw/zinc/36/32/71/993363271.db2.gz OMKDBGBLWYLWNI-MCIONIFRSA-N 2 1 248.370 2.457 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000381201660 993380492 /nfs/dbraw/zinc/38/04/92/993380492.db2.gz FJMFIVHKHFQICP-RFQIPJPRSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C1 ZINC001576851126 993434760 /nfs/dbraw/zinc/43/47/60/993434760.db2.gz XWJZCVPCYWFEBK-SAXRGWBVSA-N 2 1 222.376 2.010 20 0 BEADMP CC[C@H](C)[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1)OC ZINC001576961226 993471253 /nfs/dbraw/zinc/47/12/53/993471253.db2.gz LZTCBGMRFQORMR-DGAVXFQQSA-N 2 1 242.407 2.107 20 0 BEADMP CC[C@H](C)[C@H](C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)OC ZINC001576970361 993475462 /nfs/dbraw/zinc/47/54/62/993475462.db2.gz ILVOTWPZHCWQKE-MQLXINIDSA-N 2 1 242.407 2.024 20 0 BEADMP CC[C@@H](C)[N@@H+](CCO)C[C@H]([NH3+])CCC(C)(C)C ZINC001576996828 993482357 /nfs/dbraw/zinc/48/23/57/993482357.db2.gz XQSDYQWDRIYWGW-CHWSQXEVSA-N 2 1 244.423 2.233 20 0 BEADMP C[C@@H](Cc1ccco1)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000383652634 993508530 /nfs/dbraw/zinc/50/85/30/993508530.db2.gz DVOCYRQVWNACQJ-QWHCGFSZSA-N 2 1 236.359 2.271 20 0 BEADMP CC[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)[C@H]1C ZINC001577263384 993573718 /nfs/dbraw/zinc/57/37/18/993573718.db2.gz RMWFVMXRIMBMTH-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1CC[C@H]([N@H+]2CC3CCC2CC3)C[NH2+]1 ZINC000389717391 993762928 /nfs/dbraw/zinc/76/29/28/993762928.db2.gz OJHMESBQGBKMML-WTIISPKJSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@H]1CC[C@H]([N@@H+]2CC3CCC2CC3)C[NH2+]1 ZINC000389717391 993762915 /nfs/dbraw/zinc/76/29/15/993762915.db2.gz OJHMESBQGBKMML-WTIISPKJSA-N 2 1 208.349 2.001 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cs1 ZINC000390586345 993795341 /nfs/dbraw/zinc/79/53/41/993795341.db2.gz QUPGKINQLLQTLM-ZDUSSCGKSA-N 2 1 236.384 2.242 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cs1 ZINC000390586345 993795350 /nfs/dbraw/zinc/79/53/50/993795350.db2.gz QUPGKINQLLQTLM-ZDUSSCGKSA-N 2 1 236.384 2.242 20 0 BEADMP CC1CCC([N@H+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC000393196294 993909825 /nfs/dbraw/zinc/90/98/25/993909825.db2.gz AHVWCICJQCWFPY-OTTFEQOBSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC001621108268 1170717202 /nfs/dbraw/zinc/71/72/02/1170717202.db2.gz KWWHDXMPDBDEPF-GZBLMMOJSA-N 2 1 236.403 2.495 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC(C)(C)C3)[C@@H]2C1 ZINC001621569797 1170854150 /nfs/dbraw/zinc/85/41/50/1170854150.db2.gz FBDVZMFMTKOXJO-DGAVXFQQSA-N 2 1 236.403 2.495 20 0 BEADMP C1CC1[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000041092863 1171166860 /nfs/dbraw/zinc/16/68/60/1171166860.db2.gz QXYYZQPAPFWCET-YWPYICTPSA-N 2 1 234.387 2.391 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2C[C@H]2c2ccccc2)CC1 ZINC000044673831 1171405927 /nfs/dbraw/zinc/40/59/27/1171405927.db2.gz NCIGFVSIISIYDJ-GJZGRUSLSA-N 2 1 230.355 2.226 20 0 BEADMP Cc1cc([NH2+]CCCC[NH+](C)C)ccc1N ZINC000045686414 1171453684 /nfs/dbraw/zinc/45/36/84/1171453684.db2.gz GSZXIVXNSYJALS-UHFFFAOYSA-N 2 1 221.348 2.331 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cc1ccco1 ZINC000049330297 1171690116 /nfs/dbraw/zinc/69/01/16/1171690116.db2.gz ARRUYDRKWOUUCN-LLVKDONJSA-N 2 1 233.315 2.005 20 0 BEADMP [NH3+]CCCC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050598417 1171818126 /nfs/dbraw/zinc/81/81/26/1171818126.db2.gz XACKUUHJOIDKBH-CQSZACIVSA-N 2 1 218.344 2.215 20 0 BEADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000051889545 1171926486 /nfs/dbraw/zinc/92/64/86/1171926486.db2.gz VZZSTNBUJKBISN-HZSPNIEDSA-N 2 1 222.376 2.108 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000300932636 349452689 /nfs/dbraw/zinc/45/26/89/349452689.db2.gz NYEIBRCAASJISC-STQMWFEESA-N 2 1 212.381 2.339 20 0 BEADMP C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)CC1CC1 ZINC000161703094 538917587 /nfs/dbraw/zinc/91/75/87/538917587.db2.gz PFODZOTXPQGLFC-ZIAGYGMSSA-N 2 1 222.376 2.393 20 0 BEADMP CCc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000161614974 349476576 /nfs/dbraw/zinc/47/65/76/349476576.db2.gz KLZGUIAFNOXADE-VXGBXAGGSA-N 2 1 236.359 2.414 20 0 BEADMP Cc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cs1 ZINC000294669419 178021151 /nfs/dbraw/zinc/02/11/51/178021151.db2.gz AIXBYTKPRJEHMV-UHFFFAOYSA-N 2 1 236.384 2.408 20 0 BEADMP Cc1cc(C[NH2+]C[C@H](C)C[NH+](C)C)cs1 ZINC000295623134 178024184 /nfs/dbraw/zinc/02/41/84/178024184.db2.gz FGJDWAXHKQPKOE-JTQLQIEISA-N 2 1 226.389 2.344 20 0 BEADMP C[C@H](C[N@H+]1C[C@H](C[NH3+])C[C@H]1C)C(C)(C)C ZINC000379814613 398170396 /nfs/dbraw/zinc/17/03/96/398170396.db2.gz PTZUNLMPGVRZRO-UTUOFQBUSA-N 2 1 212.381 2.338 20 0 BEADMP Cc1cc(C[NH2+][C@H](C)C[NH3+])ccc1Cl ZINC000162080287 178037115 /nfs/dbraw/zinc/03/71/15/178037115.db2.gz XFIJKYHZJCYCJJ-SECBINFHSA-N 2 1 212.724 2.085 20 0 BEADMP CCOc1ccc(C[N@H+](C)CCC[NH3+])cc1F ZINC000258715046 349514375 /nfs/dbraw/zinc/51/43/75/349514375.db2.gz IFMWEPNHRJQPCW-UHFFFAOYSA-N 2 1 240.322 2.005 20 0 BEADMP CCOc1ccc(C[N@@H+](C)CCC[NH3+])cc1F ZINC000258715046 349514378 /nfs/dbraw/zinc/51/43/78/349514378.db2.gz IFMWEPNHRJQPCW-UHFFFAOYSA-N 2 1 240.322 2.005 20 0 BEADMP C1[C@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@@H]1C1CCCCC1 ZINC000415118218 398163442 /nfs/dbraw/zinc/16/34/42/398163442.db2.gz WDZDPDSTNGSLFM-RDBSUJKOSA-N 2 1 222.376 2.297 20 0 BEADMP C[NH2+]C1CC[NH+](C[C@H](OC)c2ccccc2)CC1 ZINC000386064882 398196044 /nfs/dbraw/zinc/19/60/44/398196044.db2.gz KGKQCLQNVSLFHO-HNNXBMFYSA-N 2 1 248.370 2.058 20 0 BEADMP C1=C[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000380800370 398208765 /nfs/dbraw/zinc/20/87/65/398208765.db2.gz HBLDTPIKOLNFJG-MJBXVCDLSA-N 2 1 220.360 2.027 20 0 BEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000576362789 365578076 /nfs/dbraw/zinc/57/80/76/365578076.db2.gz UOSBEYXVALMPSV-BYNSBNAKSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1cc(NCCC2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC000123926511 178157905 /nfs/dbraw/zinc/15/79/05/178157905.db2.gz FCGBHEAPKQXEIK-UHFFFAOYSA-N 2 1 248.374 2.237 20 0 BEADMP CCC[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000187707520 259304050 /nfs/dbraw/zinc/30/40/50/259304050.db2.gz SUOIYUUXAWCDRU-CHWSQXEVSA-N 2 1 212.381 2.449 20 0 BEADMP CCC[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000187707520 259304052 /nfs/dbraw/zinc/30/40/52/259304052.db2.gz SUOIYUUXAWCDRU-CHWSQXEVSA-N 2 1 212.381 2.449 20 0 BEADMP CCC[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000187707520 259304053 /nfs/dbraw/zinc/30/40/53/259304053.db2.gz SUOIYUUXAWCDRU-CHWSQXEVSA-N 2 1 212.381 2.449 20 0 BEADMP Cc1cc(N2CCC[C@@H]([NH+](C)C)CC2)nc(C)[nH+]1 ZINC000277264477 538933841 /nfs/dbraw/zinc/93/38/41/538933841.db2.gz XEPOUSUXKOKDKH-CYBMUJFWSA-N 2 1 248.374 2.014 20 0 BEADMP CCc1ccc([C@@H](C)[NH2+]Cc2cncn2C)o1 ZINC000289873084 538946506 /nfs/dbraw/zinc/94/65/06/538946506.db2.gz RNVYYWAJBJQBDS-SNVBAGLBSA-N 2 1 233.315 2.426 20 0 BEADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCCC[C@H]1C1CCC1 ZINC000647997470 398255371 /nfs/dbraw/zinc/25/53/71/398255371.db2.gz GSDREJCESFMAGR-JSGCOSHPSA-N 2 1 222.376 2.251 20 0 BEADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000647997469 398255374 /nfs/dbraw/zinc/25/53/74/398255374.db2.gz GSDREJCESFMAGR-GXTWGEPZSA-N 2 1 222.376 2.251 20 0 BEADMP C1CC1[C@H]1CC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000348109801 136234276 /nfs/dbraw/zinc/23/42/76/136234276.db2.gz ZITBKZLCCIZSGY-KBUPBQIOSA-N 2 1 234.387 2.391 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC[N@@H+]1C ZINC000378916250 346858463 /nfs/dbraw/zinc/85/84/63/346858463.db2.gz AHHRONQSITVESW-DGTMBMJNSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC[N@H+]1C ZINC000378916250 346858467 /nfs/dbraw/zinc/85/84/67/346858467.db2.gz AHHRONQSITVESW-DGTMBMJNSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC[N@@H+]1C ZINC000378916263 346858123 /nfs/dbraw/zinc/85/81/23/346858123.db2.gz AHHRONQSITVESW-POQQGIQPSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC[N@H+]1C ZINC000378916263 346858124 /nfs/dbraw/zinc/85/81/24/346858124.db2.gz AHHRONQSITVESW-POQQGIQPSA-N 2 1 222.376 2.247 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(C)n1 ZINC000335614016 136237730 /nfs/dbraw/zinc/23/77/30/136237730.db2.gz NHXKWCRLSNABJM-ABAIWWIYSA-N 2 1 247.386 2.115 20 0 BEADMP CC[C@H](C)C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040622283 538971702 /nfs/dbraw/zinc/97/17/02/538971702.db2.gz DVLASFIIZGGXPS-STQMWFEESA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(F)(F)C2)CC[N@@H+]1C ZINC000390158568 539020649 /nfs/dbraw/zinc/02/06/49/539020649.db2.gz YGAAPLGFNXEQOO-OUAUKWLOSA-N 2 1 232.318 2.247 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(F)(F)C2)CC[N@H+]1C ZINC000390158568 539020651 /nfs/dbraw/zinc/02/06/51/539020651.db2.gz YGAAPLGFNXEQOO-OUAUKWLOSA-N 2 1 232.318 2.247 20 0 BEADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000222206579 259323470 /nfs/dbraw/zinc/32/34/70/259323470.db2.gz VQNWVSZGRLDZCM-NWDGAFQWSA-N 2 1 210.365 2.249 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+]C/C=C\c1ccccc1 ZINC000401649127 342866682 /nfs/dbraw/zinc/86/66/82/342866682.db2.gz OBEIXLPRSJDYRC-YVMONPNESA-N 2 1 241.338 2.266 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000300231804 259326896 /nfs/dbraw/zinc/32/68/96/259326896.db2.gz IWYPRVVTNGZCAG-CHWSQXEVSA-N 2 1 242.432 2.059 20 0 BEADMP CC[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000036169893 342894444 /nfs/dbraw/zinc/89/44/44/342894444.db2.gz DQMJOFRFMSIZNX-QWHCGFSZSA-N 2 1 210.365 2.108 20 0 BEADMP CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134871909 342908932 /nfs/dbraw/zinc/90/89/32/342908932.db2.gz KUKRNAUGFUSGAA-OCCSQVGLSA-N 2 1 222.376 2.345 20 0 BEADMP CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134871909 342908934 /nfs/dbraw/zinc/90/89/34/342908934.db2.gz KUKRNAUGFUSGAA-OCCSQVGLSA-N 2 1 222.376 2.345 20 0 BEADMP CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134871909 342908936 /nfs/dbraw/zinc/90/89/36/342908936.db2.gz KUKRNAUGFUSGAA-OCCSQVGLSA-N 2 1 222.376 2.345 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000036996889 342915799 /nfs/dbraw/zinc/91/57/99/342915799.db2.gz ZVXUCGIRBGLCHD-WCFLWFBJSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000036996889 342915801 /nfs/dbraw/zinc/91/58/01/342915801.db2.gz ZVXUCGIRBGLCHD-WCFLWFBJSA-N 2 1 208.349 2.001 20 0 BEADMP Cc1ccc(C[N@@H+](C)CCC[NH3+])cc1Cl ZINC000234289576 342918598 /nfs/dbraw/zinc/91/85/98/342918598.db2.gz DYGGNQBXWIJBRC-UHFFFAOYSA-N 2 1 226.751 2.429 20 0 BEADMP CC1(C)COC[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000313054180 259330180 /nfs/dbraw/zinc/33/01/80/259330180.db2.gz HQVDZAPEYVMUPO-MCIONIFRSA-N 2 1 246.354 2.146 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000109683406 398327714 /nfs/dbraw/zinc/32/77/14/398327714.db2.gz IEPFVXMATSDZIW-GASCZTMLSA-N 2 1 244.382 2.263 20 0 BEADMP CC1(C)COC[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000313054183 259330290 /nfs/dbraw/zinc/33/02/90/259330290.db2.gz HQVDZAPEYVMUPO-MJBXVCDLSA-N 2 1 246.354 2.146 20 0 BEADMP CCC[N@H+](CC)CC[NH2+]C(CC)CC ZINC000053376608 346888174 /nfs/dbraw/zinc/88/81/74/346888174.db2.gz KFJVSRVBLQXMOB-UHFFFAOYSA-N 2 1 200.370 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+]C(CC)CC ZINC000053376608 346888175 /nfs/dbraw/zinc/88/81/75/346888175.db2.gz KFJVSRVBLQXMOB-UHFFFAOYSA-N 2 1 200.370 2.497 20 0 BEADMP Cc1nccn1C[C@H]1CCC[N@@H+]1CC[C@H](C)F ZINC000351868685 136258822 /nfs/dbraw/zinc/25/88/22/136258822.db2.gz GJEBGUAIJWIEBV-WCQYABFASA-N 2 1 239.338 2.404 20 0 BEADMP Cc1ccc(C[N@@H+](C)[C@H](C[NH3+])C2CC2)cc1 ZINC000036883957 342993357 /nfs/dbraw/zinc/99/33/57/342993357.db2.gz QKXHWYSPTXQCCX-CQSZACIVSA-N 2 1 218.344 2.164 20 0 BEADMP Cc1ccc(C[N@H+](C)[C@H](C[NH3+])C2CC2)cc1 ZINC000036883957 342993359 /nfs/dbraw/zinc/99/33/59/342993359.db2.gz QKXHWYSPTXQCCX-CQSZACIVSA-N 2 1 218.344 2.164 20 0 BEADMP CC(C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134918941 343003251 /nfs/dbraw/zinc/00/32/51/343003251.db2.gz WETHOZHNAZOARE-TZMCWYRMSA-N 2 1 222.376 2.344 20 0 BEADMP CC(C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134918941 343003253 /nfs/dbraw/zinc/00/32/53/343003253.db2.gz WETHOZHNAZOARE-TZMCWYRMSA-N 2 1 222.376 2.344 20 0 BEADMP CC(C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134918941 343003254 /nfs/dbraw/zinc/00/32/54/343003254.db2.gz WETHOZHNAZOARE-TZMCWYRMSA-N 2 1 222.376 2.344 20 0 BEADMP CC(C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134918941 343003256 /nfs/dbraw/zinc/00/32/56/343003256.db2.gz WETHOZHNAZOARE-TZMCWYRMSA-N 2 1 222.376 2.344 20 0 BEADMP Cc1ccc(C[N@@H+](C)CCC[NH3+])cc1C ZINC000049668648 343114307 /nfs/dbraw/zinc/11/43/07/343114307.db2.gz REYRHPYXVCSKNJ-UHFFFAOYSA-N 2 1 206.333 2.084 20 0 BEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](C(F)F)C1 ZINC000677729299 488204497 /nfs/dbraw/zinc/20/44/97/488204497.db2.gz BUNUNYHOHPUMGE-RYUDHWBXSA-N 2 1 246.345 2.448 20 0 BEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](C(F)F)C1 ZINC000677729299 488204498 /nfs/dbraw/zinc/20/44/98/488204498.db2.gz BUNUNYHOHPUMGE-RYUDHWBXSA-N 2 1 246.345 2.448 20 0 BEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](C(F)F)C1 ZINC000677729299 488204499 /nfs/dbraw/zinc/20/44/99/488204499.db2.gz BUNUNYHOHPUMGE-RYUDHWBXSA-N 2 1 246.345 2.448 20 0 BEADMP Cc1ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC000020264747 343284102 /nfs/dbraw/zinc/28/41/02/343284102.db2.gz UXZHBPJNWSEFSC-HNNXBMFYSA-N 2 1 232.371 2.426 20 0 BEADMP CC(C)[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC1CC1 ZINC000051919308 343278761 /nfs/dbraw/zinc/27/87/61/343278761.db2.gz OVAHMZUHPHKYLW-ZDUSSCGKSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1ccoc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000335608970 136298518 /nfs/dbraw/zinc/29/85/18/136298518.db2.gz FDABYPHFOOCINJ-CMPLNLGQSA-N 2 1 222.332 2.066 20 0 BEADMP CC[NH+]1CCC([NH2+]C2Cc3ccccc3C2)CC1 ZINC000038098078 343370950 /nfs/dbraw/zinc/37/09/50/343370950.db2.gz FBPXOAZOUJXTKQ-UHFFFAOYSA-N 2 1 244.382 2.228 20 0 BEADMP Cc1ccc(F)c(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000335641182 136308641 /nfs/dbraw/zinc/30/86/41/136308641.db2.gz SHIFKAUZEXAGGL-WCQYABFASA-N 2 1 236.334 2.364 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H]1C[C@@H]1C ZINC000349344219 136342947 /nfs/dbraw/zinc/34/29/47/136342947.db2.gz HMEYGUMVPNKDNJ-QWHCGFSZSA-N 2 1 212.381 2.306 20 0 BEADMP CC(C)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000152473044 323046986 /nfs/dbraw/zinc/04/69/86/323046986.db2.gz CBAQYHSGINJPBW-SWLSCSKDSA-N 2 1 236.403 2.495 20 0 BEADMP C[N@@H+](CC1CCCC1)C[C@]1(C)CC[NH2+]C1 ZINC000082493362 343442512 /nfs/dbraw/zinc/44/25/12/343442512.db2.gz NZHUSEDBVPAZKP-CYBMUJFWSA-N 2 1 210.365 2.108 20 0 BEADMP Cc1cc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])ccc1F ZINC000258862206 136374142 /nfs/dbraw/zinc/37/41/42/136374142.db2.gz FOSCGRZEPZFWHL-STQMWFEESA-N 2 1 222.307 2.104 20 0 BEADMP C[C@H]1CC[N@@H+](CCC2CCC2)C[C@@H]1C[NH3+] ZINC000398701227 488222202 /nfs/dbraw/zinc/22/22/02/488222202.db2.gz KBUWTBZEIMGUGB-AAEUAGOBSA-N 2 1 210.365 2.093 20 0 BEADMP CC[C@H]1CC[C@H]1[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000379972616 365768960 /nfs/dbraw/zinc/76/89/60/365768960.db2.gz BXABFRUWHKBKTL-RWMBFGLXSA-N 2 1 212.381 2.493 20 0 BEADMP CC[C@H]1CC[C@H]1[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000379972616 365768964 /nfs/dbraw/zinc/76/89/64/365768964.db2.gz BXABFRUWHKBKTL-RWMBFGLXSA-N 2 1 212.381 2.493 20 0 BEADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(F)c1 ZINC000049551753 343602009 /nfs/dbraw/zinc/60/20/09/343602009.db2.gz KZINFYHSPQITRG-NSHDSACASA-N 2 1 224.323 2.256 20 0 BEADMP Cc1ccsc1C[NH2+]CC1([NH3+])CCC1 ZINC000088052336 343698892 /nfs/dbraw/zinc/69/88/92/343698892.db2.gz KOVIBGNWDOLASV-UHFFFAOYSA-N 2 1 210.346 2.028 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CC=CCC1 ZINC000090035804 343749841 /nfs/dbraw/zinc/74/98/41/343749841.db2.gz JBPTWSKNXNWMFB-AGIUHOORSA-N 2 1 208.349 2.025 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CC=CCC1 ZINC000090035804 343749842 /nfs/dbraw/zinc/74/98/42/343749842.db2.gz JBPTWSKNXNWMFB-AGIUHOORSA-N 2 1 208.349 2.025 20 0 BEADMP CCc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000044527783 343781238 /nfs/dbraw/zinc/78/12/38/343781238.db2.gz PBCQXKULBZXKSP-HNNXBMFYSA-N 2 1 232.371 2.420 20 0 BEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336665059 537816549 /nfs/dbraw/zinc/81/65/49/537816549.db2.gz LKBNVBQAPVKWGX-KBPBESRZSA-N 2 1 222.376 2.273 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000336678194 537822140 /nfs/dbraw/zinc/82/21/40/537822140.db2.gz CGYLRNPJLZDDEU-KGLIPLIRSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000336678194 537822144 /nfs/dbraw/zinc/82/21/44/537822144.db2.gz CGYLRNPJLZDDEU-KGLIPLIRSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000336734936 537831784 /nfs/dbraw/zinc/83/17/84/537831784.db2.gz LHBJAYWVLGJJCL-FPMFFAJLSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000336734936 537831790 /nfs/dbraw/zinc/83/17/90/537831790.db2.gz LHBJAYWVLGJJCL-FPMFFAJLSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)=CCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621784631 343907851 /nfs/dbraw/zinc/90/78/51/343907851.db2.gz RSKAIWMUROVPGF-QWHCGFSZSA-N 2 1 208.349 2.156 20 0 BEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2C[C@H]2C)C1 ZINC000336691816 192069388 /nfs/dbraw/zinc/06/93/88/192069388.db2.gz WYZJPLUFHVWFMT-RDBSUJKOSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000133344386 344318284 /nfs/dbraw/zinc/31/82/84/344318284.db2.gz DFPCMVBKDZEEHR-MROQNXINSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000133344386 344318285 /nfs/dbraw/zinc/31/82/85/344318285.db2.gz DFPCMVBKDZEEHR-MROQNXINSA-N 2 1 210.365 2.105 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000387729680 347046774 /nfs/dbraw/zinc/04/67/74/347046774.db2.gz RSAZZNODOKKJFZ-FVCCEPFGSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCC1CCCCC1 ZINC000385145752 344355980 /nfs/dbraw/zinc/35/59/80/344355980.db2.gz NYLXBQFJSFWFEM-DGCLKSJQSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCC1CCCCC1 ZINC000385145752 344355984 /nfs/dbraw/zinc/35/59/84/344355984.db2.gz NYLXBQFJSFWFEM-DGCLKSJQSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@H]1C[C@H](N)C[N@H+]1CCCCC1CCOCC1 ZINC000385204667 344376693 /nfs/dbraw/zinc/37/66/93/344376693.db2.gz CABAKJKJDDDKEM-JSGCOSHPSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCCCC1CCOCC1 ZINC000385204667 344376694 /nfs/dbraw/zinc/37/66/94/344376694.db2.gz CABAKJKJDDDKEM-JSGCOSHPSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCCCC1CCOCC1 ZINC000385204667 344376696 /nfs/dbraw/zinc/37/66/96/344376696.db2.gz CABAKJKJDDDKEM-JSGCOSHPSA-N 2 1 240.391 2.005 20 0 BEADMP Cc1nc(N[C@H]2CC[C@H]([NH3+])CC2)c(C)c(C)[nH+]1 ZINC000634813614 344399343 /nfs/dbraw/zinc/39/93/43/344399343.db2.gz RKRZIPSBVHFQQO-HAQNSBGRSA-N 2 1 234.347 2.084 20 0 BEADMP C[N@@H+](CC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000041051911 344416498 /nfs/dbraw/zinc/41/64/98/344416498.db2.gz KUZLFUYNHGAYQJ-FOSCPWQOSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@H]([NH3+])C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000380760598 344438589 /nfs/dbraw/zinc/43/85/89/344438589.db2.gz WDDGWYWHBVUILV-FZMZJTMJSA-N 2 1 218.344 2.343 20 0 BEADMP C[C@H]([NH3+])C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000380760598 344438591 /nfs/dbraw/zinc/43/85/91/344438591.db2.gz WDDGWYWHBVUILV-FZMZJTMJSA-N 2 1 218.344 2.343 20 0 BEADMP CC(C)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000042559896 344458362 /nfs/dbraw/zinc/45/83/62/344458362.db2.gz RHKHNROQKDUASW-GFCCVEGCSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N)C1 ZINC000050227708 344744170 /nfs/dbraw/zinc/74/41/70/344744170.db2.gz IGLCJYOXIZKHDQ-STQMWFEESA-N 2 1 204.317 2.171 20 0 BEADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](N)C1 ZINC000050227708 344744172 /nfs/dbraw/zinc/74/41/72/344744172.db2.gz IGLCJYOXIZKHDQ-STQMWFEESA-N 2 1 204.317 2.171 20 0 BEADMP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH3+])C1 ZINC000050227708 344744174 /nfs/dbraw/zinc/74/41/74/344744174.db2.gz IGLCJYOXIZKHDQ-STQMWFEESA-N 2 1 204.317 2.171 20 0 BEADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH3+])C1 ZINC000050227708 344744175 /nfs/dbraw/zinc/74/41/75/344744175.db2.gz IGLCJYOXIZKHDQ-STQMWFEESA-N 2 1 204.317 2.171 20 0 BEADMP CC(C)c1cnc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])s1 ZINC000578442615 344882244 /nfs/dbraw/zinc/88/22/44/344882244.db2.gz ACJLYNSWUBQYFM-UWVGGRQHSA-N 2 1 241.404 2.482 20 0 BEADMP CCCC[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000050888120 345018032 /nfs/dbraw/zinc/01/80/32/345018032.db2.gz NRJFAMGQFZIFRR-NSHDSACASA-N 2 1 209.337 2.360 20 0 BEADMP C([N@H+]1CCC[C@@H]2CCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634992153 345179855 /nfs/dbraw/zinc/17/98/55/345179855.db2.gz FYKMKVQSUXFPOZ-QPPOZKHWSA-N 2 1 220.360 2.003 20 0 BEADMP C([N@H+]1CCC[C@H]2CCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634992152 345179916 /nfs/dbraw/zinc/17/99/16/345179916.db2.gz FYKMKVQSUXFPOZ-DKNRTOFZSA-N 2 1 220.360 2.003 20 0 BEADMP C([N@H+]1CCC[C@@H]2CCC[C@H]21)C12CC(C1)C[NH2+]2 ZINC000634992154 345179993 /nfs/dbraw/zinc/17/99/93/345179993.db2.gz FYKMKVQSUXFPOZ-YIFLHPOLSA-N 2 1 220.360 2.003 20 0 BEADMP CC1(C[N@H+]2CCCCC[C@H](N)C2)CCC1 ZINC000634997093 345194221 /nfs/dbraw/zinc/19/42/21/345194221.db2.gz CSQPEWLCQGOKJI-LBPRGKRZSA-N 2 1 210.365 2.380 20 0 BEADMP CC1(CN2CCCCC[C@H]([NH3+])C2)CCC1 ZINC000634997093 345194225 /nfs/dbraw/zinc/19/42/25/345194225.db2.gz CSQPEWLCQGOKJI-LBPRGKRZSA-N 2 1 210.365 2.380 20 0 BEADMP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1C ZINC000634998154 345197076 /nfs/dbraw/zinc/19/70/76/345197076.db2.gz BMDVDFQNAVSIOM-TZMCWYRMSA-N 2 1 248.370 2.030 20 0 BEADMP CCc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000634998167 345197548 /nfs/dbraw/zinc/19/75/48/345197548.db2.gz BTJGHYYNNDMFQW-GHMZBOCLSA-N 2 1 238.400 2.337 20 0 BEADMP C[C@@H]1C[N@@H+](C/C=C\c2ccccc2)C[C@H]1C[NH3+] ZINC000634998233 345197963 /nfs/dbraw/zinc/19/79/63/345197963.db2.gz CITPPGOSINXVLR-VZFGUZNESA-N 2 1 230.355 2.226 20 0 BEADMP Cc1cccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1C ZINC000634999871 345201131 /nfs/dbraw/zinc/20/11/31/345201131.db2.gz BKPQJXSXFCFNIB-SWLSCSKDSA-N 2 1 232.371 2.330 20 0 BEADMP C[C@@H]([NH2+]Cc1cccc2[nH]ccc21)[C@H]1CCC[NH2+]1 ZINC000635011089 345212704 /nfs/dbraw/zinc/21/27/04/345212704.db2.gz CWZRMJNUBPCZNI-BXUZGUMPSA-N 2 1 243.354 2.398 20 0 BEADMP C[C@H]([NH2+]Cc1cccc2[nH]ccc21)[C@H]1CCC[NH2+]1 ZINC000635011099 345213025 /nfs/dbraw/zinc/21/30/25/345213025.db2.gz CWZRMJNUBPCZNI-SMDDNHRTSA-N 2 1 243.354 2.398 20 0 BEADMP c1cn(CC[N@H+]2CCCC3(CC3)CC2)cn1 ZINC000626114513 345314544 /nfs/dbraw/zinc/31/45/44/345314544.db2.gz JKYQGVZVACHYDB-UHFFFAOYSA-N 2 1 219.332 2.149 20 0 BEADMP CC(C)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158612150 345357288 /nfs/dbraw/zinc/35/72/88/345357288.db2.gz AYPGVLVFQCYHSV-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158612150 345357289 /nfs/dbraw/zinc/35/72/89/345357289.db2.gz AYPGVLVFQCYHSV-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158612150 345357291 /nfs/dbraw/zinc/35/72/91/345357291.db2.gz AYPGVLVFQCYHSV-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP CCOC(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159307471 345421771 /nfs/dbraw/zinc/42/17/71/345421771.db2.gz RMQKLACBZCGNJY-QWHCGFSZSA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081634498 345488544 /nfs/dbraw/zinc/48/85/44/345488544.db2.gz FWQPWETUNNWRKW-CQSZACIVSA-N 2 1 224.392 2.306 20 0 BEADMP CC(C)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081634498 345488545 /nfs/dbraw/zinc/48/85/45/345488545.db2.gz FWQPWETUNNWRKW-CQSZACIVSA-N 2 1 224.392 2.306 20 0 BEADMP CC(C)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081634498 345488546 /nfs/dbraw/zinc/48/85/46/345488546.db2.gz FWQPWETUNNWRKW-CQSZACIVSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081636369 345488810 /nfs/dbraw/zinc/48/88/10/345488810.db2.gz AKYXCMLBQAYLRP-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP CCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081636369 345488811 /nfs/dbraw/zinc/48/88/11/345488811.db2.gz AKYXCMLBQAYLRP-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP CCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081636369 345488814 /nfs/dbraw/zinc/48/88/14/345488814.db2.gz AKYXCMLBQAYLRP-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP Cc1cc(C)cc(C[N@@H+](C)[C@H](C[NH3+])C2CC2)c1 ZINC000159734499 345506615 /nfs/dbraw/zinc/50/66/15/345506615.db2.gz CLXSCNFVUFDFIH-OAHLLOKOSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1cc(C)cc(C[N@H+](C)[C@H](C[NH3+])C2CC2)c1 ZINC000159734499 345506619 /nfs/dbraw/zinc/50/66/19/345506619.db2.gz CLXSCNFVUFDFIH-OAHLLOKOSA-N 2 1 232.371 2.473 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCOCC)C1 ZINC000081570259 345479237 /nfs/dbraw/zinc/47/92/37/345479237.db2.gz OLLKTIBXNHFRRN-CQSZACIVSA-N 2 1 242.407 2.077 20 0 BEADMP CCC[N@H+]1CC[C@H](CNc2cc(C)nc(C)n2)C1 ZINC000091457318 345593089 /nfs/dbraw/zinc/59/30/89/345593089.db2.gz CVCIPQAOHRXKKB-CYBMUJFWSA-N 2 1 248.374 2.237 20 0 BEADMP CCC[N@@H+]1CC[C@H](CNc2cc(C)[nH+]c(C)n2)C1 ZINC000091457318 345593092 /nfs/dbraw/zinc/59/30/92/345593092.db2.gz CVCIPQAOHRXKKB-CYBMUJFWSA-N 2 1 248.374 2.237 20 0 BEADMP CCC[N@H+]1CC[C@H](CNc2cc(C)[nH+]c(C)n2)C1 ZINC000091457318 345593094 /nfs/dbraw/zinc/59/30/94/345593094.db2.gz CVCIPQAOHRXKKB-CYBMUJFWSA-N 2 1 248.374 2.237 20 0 BEADMP Fc1ccc(C2([NH2+]C3CC[NH2+]CC3)CC2)cc1 ZINC000215642225 345742612 /nfs/dbraw/zinc/74/26/12/345742612.db2.gz AZCJSRHJNFNATC-UHFFFAOYSA-N 2 1 234.318 2.156 20 0 BEADMP CCC[N@@H+](CC)CCC[NH+](CC)CC ZINC000219260908 345745598 /nfs/dbraw/zinc/74/55/98/345745598.db2.gz TYFXYJLYKMSPGV-UHFFFAOYSA-N 2 1 200.370 2.450 20 0 BEADMP Fc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1Cl ZINC000205769442 345733500 /nfs/dbraw/zinc/73/35/00/345733500.db2.gz AMDPOUVQLNUNHB-UHFFFAOYSA-N 2 1 242.725 2.321 20 0 BEADMP CC(C)CC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000070558206 345775935 /nfs/dbraw/zinc/77/59/35/345775935.db2.gz ORHMCTIBYHIBRI-ZDUSSCGKSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000070558206 345775937 /nfs/dbraw/zinc/77/59/37/345775937.db2.gz ORHMCTIBYHIBRI-ZDUSSCGKSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)[N@H+](C)CCNc1cc[nH+]cc1Cl ZINC000086832013 535010940 /nfs/dbraw/zinc/01/09/40/535010940.db2.gz XBSSCUGHDRFVQB-UHFFFAOYSA-N 2 1 227.739 2.487 20 0 BEADMP CC(C)[N@@H+](C)CCNc1cc[nH+]cc1Cl ZINC000086832013 535010945 /nfs/dbraw/zinc/01/09/45/535010945.db2.gz XBSSCUGHDRFVQB-UHFFFAOYSA-N 2 1 227.739 2.487 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CCC[C@H]1CN ZINC000122158221 179035730 /nfs/dbraw/zinc/03/57/30/179035730.db2.gz UEMCTPDQNTUDSJ-ZDUSSCGKSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1cccc(C)c1CN1CCC[C@H]1C[NH3+] ZINC000122158221 179035731 /nfs/dbraw/zinc/03/57/31/179035731.db2.gz UEMCTPDQNTUDSJ-ZDUSSCGKSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000122158221 179035733 /nfs/dbraw/zinc/03/57/33/179035733.db2.gz UEMCTPDQNTUDSJ-ZDUSSCGKSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CCC[C@H]1C[NH3+] ZINC000122158221 179035735 /nfs/dbraw/zinc/03/57/35/179035735.db2.gz UEMCTPDQNTUDSJ-ZDUSSCGKSA-N 2 1 218.344 2.227 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)[C@H]1C ZINC000669378551 537969329 /nfs/dbraw/zinc/96/93/29/537969329.db2.gz GODLHYWPBQHANE-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cccc(C[N@@H+](C)[C@@H](C[NH3+])C2CC2)c1 ZINC000042435709 179070489 /nfs/dbraw/zinc/07/04/89/179070489.db2.gz HNMOCKZFKCKVLF-AWEZNQCLSA-N 2 1 218.344 2.164 20 0 BEADMP Cc1cccc(C[N@H+](C)[C@@H](C[NH3+])C2CC2)c1 ZINC000042435709 179070492 /nfs/dbraw/zinc/07/04/92/179070492.db2.gz HNMOCKZFKCKVLF-AWEZNQCLSA-N 2 1 218.344 2.164 20 0 BEADMP C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000574904671 346407783 /nfs/dbraw/zinc/40/77/83/346407783.db2.gz YZOKKYGILTUXFR-WCQYABFASA-N 2 1 238.400 2.411 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000031994556 179082424 /nfs/dbraw/zinc/08/24/24/179082424.db2.gz FYRIYXLPXCYYNJ-OAHLLOKOSA-N 2 1 230.355 2.180 20 0 BEADMP Cc1cccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000271822905 179089239 /nfs/dbraw/zinc/08/92/39/179089239.db2.gz NCHPDJNWQHXZHE-UHFFFAOYSA-N 2 1 230.355 2.347 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000390472143 259390251 /nfs/dbraw/zinc/39/02/51/259390251.db2.gz JOCCUCGXBOIXOO-RFQIPJPRSA-N 2 1 224.392 2.495 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000390472143 259390253 /nfs/dbraw/zinc/39/02/53/259390253.db2.gz JOCCUCGXBOIXOO-RFQIPJPRSA-N 2 1 224.392 2.495 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](CC)C[C@@H]1CCCO1 ZINC000191779217 259389770 /nfs/dbraw/zinc/38/97/70/259389770.db2.gz DADMUMKRPIEKND-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP CCC(F)(F)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000641797109 362741527 /nfs/dbraw/zinc/74/15/27/362741527.db2.gz USMBARHTDFQBGL-SECBINFHSA-N 2 1 220.307 2.091 20 0 BEADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000641804246 362761684 /nfs/dbraw/zinc/76/16/84/362761684.db2.gz XBKACEUKKYGOJX-RYUDHWBXSA-N 2 1 240.297 2.180 20 0 BEADMP CC1(C)c2ccccc2CC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000641802131 362758587 /nfs/dbraw/zinc/75/85/87/362758587.db2.gz XWTHCGPRIHCHHY-CYBMUJFWSA-N 2 1 244.382 2.389 20 0 BEADMP Cc1cccc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[nH+]1 ZINC000286297272 179115495 /nfs/dbraw/zinc/11/54/95/179115495.db2.gz IAQKEBRDAHNXDM-PBWFPOADSA-N 2 1 245.370 2.451 20 0 BEADMP Cc1cccc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[nH+]1 ZINC000286297272 179115497 /nfs/dbraw/zinc/11/54/97/179115497.db2.gz IAQKEBRDAHNXDM-PBWFPOADSA-N 2 1 245.370 2.451 20 0 BEADMP Cc1cccc(N(C)CCC[NH+]2CCCC2)[nH+]1 ZINC000281722218 179116276 /nfs/dbraw/zinc/11/62/76/179116276.db2.gz DCCFIWUVFWDVDP-UHFFFAOYSA-N 2 1 233.359 2.312 20 0 BEADMP C[C@H](C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1ccccc1 ZINC000216056198 349971787 /nfs/dbraw/zinc/97/17/87/349971787.db2.gz VKIQLAPYQKBGDH-MGPQQGTHSA-N 2 1 232.371 2.459 20 0 BEADMP Cc1cccc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)n1 ZINC000292786994 179124288 /nfs/dbraw/zinc/12/42/88/179124288.db2.gz MGXCVEUIGXMACI-HNNXBMFYSA-N 2 1 245.370 2.312 20 0 BEADMP Cc1cccc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)[nH+]1 ZINC000292786994 179124292 /nfs/dbraw/zinc/12/42/92/179124292.db2.gz MGXCVEUIGXMACI-HNNXBMFYSA-N 2 1 245.370 2.312 20 0 BEADMP CSC1CC[NH+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000300870449 346614076 /nfs/dbraw/zinc/61/40/76/346614076.db2.gz QOZFZHFPMZSVKY-LLVKDONJSA-N 2 1 230.421 2.187 20 0 BEADMP C(C1CC[NH2+]CC1)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000178973701 346729350 /nfs/dbraw/zinc/72/93/50/346729350.db2.gz FHMKDQXBRHBIIJ-OKILXGFUSA-N 2 1 222.376 2.108 20 0 BEADMP Cc1cccc(NC[C@@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000044537773 179146510 /nfs/dbraw/zinc/14/65/10/179146510.db2.gz DMKZPNGJYNWPSL-LBPRGKRZSA-N 2 1 219.332 2.144 20 0 BEADMP Cc1cccc(NC[C@@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000044537773 179146513 /nfs/dbraw/zinc/14/65/13/179146513.db2.gz DMKZPNGJYNWPSL-LBPRGKRZSA-N 2 1 219.332 2.144 20 0 BEADMP Cc1cccc(NC[C@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000044537775 179149455 /nfs/dbraw/zinc/14/94/55/179149455.db2.gz DMKZPNGJYNWPSL-GFCCVEGCSA-N 2 1 219.332 2.144 20 0 BEADMP Cc1cccc(NC[C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000044537775 179149456 /nfs/dbraw/zinc/14/94/56/179149456.db2.gz DMKZPNGJYNWPSL-GFCCVEGCSA-N 2 1 219.332 2.144 20 0 BEADMP Cc1cccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)[nH+]1 ZINC000226881498 179154568 /nfs/dbraw/zinc/15/45/68/179154568.db2.gz LOMOMDCGIPBRMI-NWDGAFQWSA-N 2 1 219.332 2.285 20 0 BEADMP Cc1cccc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)[nH+]1 ZINC000226881498 179154571 /nfs/dbraw/zinc/15/45/71/179154571.db2.gz LOMOMDCGIPBRMI-NWDGAFQWSA-N 2 1 219.332 2.285 20 0 BEADMP Cc1cccc(OCC[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000042896906 179166516 /nfs/dbraw/zinc/16/65/16/179166516.db2.gz NECPUYJBHXJNAD-UONOGXRCSA-N 2 1 248.370 2.185 20 0 BEADMP Cc1cccc(OCC[NH2+]C2CC[NH+](C)CC2)c1 ZINC000048436984 179168044 /nfs/dbraw/zinc/16/80/44/179168044.db2.gz REBOQNWGEQYPOP-UHFFFAOYSA-N 2 1 248.370 2.058 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000387970941 347138174 /nfs/dbraw/zinc/13/81/74/347138174.db2.gz GBNXKDXUPSABQK-MQLXINIDSA-N 2 1 224.392 2.351 20 0 BEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000382101588 347168770 /nfs/dbraw/zinc/16/87/70/347168770.db2.gz GWPMVDISSALGBP-UJPOAAIJSA-N 2 1 228.355 2.195 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000382101588 347168772 /nfs/dbraw/zinc/16/87/72/347168772.db2.gz GWPMVDISSALGBP-UJPOAAIJSA-N 2 1 228.355 2.195 20 0 BEADMP Cc1cccc([C@@H](C)[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000313352779 179179002 /nfs/dbraw/zinc/17/90/02/179179002.db2.gz LTDOBSNNVSFANF-HIFRSBDPSA-N 2 1 248.370 2.106 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]C(C2CC2)C2CC2)CC1 ZINC000390508129 347372953 /nfs/dbraw/zinc/37/29/53/347372953.db2.gz YBCOBUAUYDJWKK-UHFFFAOYSA-N 2 1 220.360 2.027 20 0 BEADMP CC[C@@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000020200916 347422941 /nfs/dbraw/zinc/42/29/41/347422941.db2.gz NBIHCCSZXUWTQJ-OLZOCXBDSA-N 2 1 212.381 2.495 20 0 BEADMP Cc1ccccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000031994570 179275495 /nfs/dbraw/zinc/27/54/95/179275495.db2.gz WZCRCJHCLXTUJJ-HNNXBMFYSA-N 2 1 230.355 2.180 20 0 BEADMP Cc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000228074033 179276679 /nfs/dbraw/zinc/27/66/79/179276679.db2.gz UHUWXBOGCHTLEN-CHWSQXEVSA-N 2 1 218.344 2.164 20 0 BEADMP Cc1ccccc1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000105480761 179284954 /nfs/dbraw/zinc/28/49/54/179284954.db2.gz KZMIYWIKDADWTO-ZFWWWQNUSA-N 2 1 232.371 2.425 20 0 BEADMP Cc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000235485036 179288246 /nfs/dbraw/zinc/28/82/46/179288246.db2.gz RXJALYAZBPKBPV-HIFRSBDPSA-N 2 1 232.371 2.268 20 0 BEADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)C[C@H]2CC[NH2+]C2)C1 ZINC000592476775 347791240 /nfs/dbraw/zinc/79/12/40/347791240.db2.gz YQOSOLKYZUKUQU-YNEHKIRRSA-N 2 1 242.432 2.202 20 0 BEADMP Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CC[NH3+])C1 ZINC000083008562 179349710 /nfs/dbraw/zinc/34/97/10/179349710.db2.gz KLBOPDPJDZOBBV-STQMWFEESA-N 2 1 218.344 2.132 20 0 BEADMP Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CC[NH3+])C1 ZINC000083008562 179349713 /nfs/dbraw/zinc/34/97/13/179349713.db2.gz KLBOPDPJDZOBBV-STQMWFEESA-N 2 1 218.344 2.132 20 0 BEADMP Cc1ccccc1[C@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000357076467 179346435 /nfs/dbraw/zinc/34/64/35/179346435.db2.gz OXFOCOZUOQYWKB-OAHLLOKOSA-N 2 1 248.370 2.107 20 0 BEADMP Cc1cccnc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000296382289 179371106 /nfs/dbraw/zinc/37/11/06/179371106.db2.gz JQWKJMLGFQLPJP-ZIAGYGMSSA-N 2 1 247.386 2.005 20 0 BEADMP CC(C)[N@@H+](CC[C@H]1CCC[NH+]1C)C1CC1 ZINC000179241931 535073069 /nfs/dbraw/zinc/07/30/69/535073069.db2.gz ZWUWURIIEPUFQB-GFCCVEGCSA-N 2 1 210.365 2.344 20 0 BEADMP CC(C)[NH+](CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000179241931 535073072 /nfs/dbraw/zinc/07/30/72/535073072.db2.gz ZWUWURIIEPUFQB-GFCCVEGCSA-N 2 1 210.365 2.344 20 0 BEADMP CC(C)[NH+](CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC000179241931 535073078 /nfs/dbraw/zinc/07/30/78/535073078.db2.gz ZWUWURIIEPUFQB-GFCCVEGCSA-N 2 1 210.365 2.344 20 0 BEADMP C[C@@H]1CCN(c2cc[nH+]cc2Cl)C[C@H]1C[NH3+] ZINC000253189713 348355022 /nfs/dbraw/zinc/35/50/22/348355022.db2.gz KMNVXPKBCSTYRK-NXEZZACHSA-N 2 1 239.750 2.156 20 0 BEADMP CCOC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623502464 362927029 /nfs/dbraw/zinc/92/70/29/362927029.db2.gz KNPOAAFEOFSAJM-GFCCVEGCSA-N 2 1 242.407 2.264 20 0 BEADMP Cc1[nH+]ccn1CCC[NH+]1C2CCC1CC2 ZINC000535668794 323188140 /nfs/dbraw/zinc/18/81/40/323188140.db2.gz FKGFAYNXNQEYMO-UHFFFAOYSA-N 2 1 219.332 2.208 20 0 BEADMP C[C@@H]1[C@H](C)C[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC000419375005 192128871 /nfs/dbraw/zinc/12/88/71/192128871.db2.gz QVWBSRITSSQMFN-MQYQWHSLSA-N 2 1 224.392 2.447 20 0 BEADMP C[C@@H]1[C@H](C)C[NH+](CC[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC000419375005 192128872 /nfs/dbraw/zinc/12/88/72/192128872.db2.gz QVWBSRITSSQMFN-MQYQWHSLSA-N 2 1 224.392 2.447 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+]C1CCC(CSC)CC1 ZINC000596653757 348607706 /nfs/dbraw/zinc/60/77/06/348607706.db2.gz DTFFGRNPVDFTTJ-VOMCLLRMSA-N 2 1 230.421 2.106 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C(F)F)CC2)CC1(C)C ZINC000623510612 362936918 /nfs/dbraw/zinc/93/69/18/362936918.db2.gz CQSLIHSIKQWPLT-SNVBAGLBSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@H](C[NH2+][C@H](C)c1ccoc1)C[NH+](C)C ZINC000308905128 349061746 /nfs/dbraw/zinc/06/17/46/349061746.db2.gz LETLHIWWRHCYSW-GHMZBOCLSA-N 2 1 210.321 2.128 20 0 BEADMP C[C@H]([N@@H+](C)C[C@H]1CCC[NH2+]C1)C(C)(C)C ZINC000251028812 349181878 /nfs/dbraw/zinc/18/18/78/349181878.db2.gz HJRDZGYJMGOCRP-RYUDHWBXSA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)C2CC2)C1 ZINC000250475315 349171158 /nfs/dbraw/zinc/17/11/58/349171158.db2.gz AHDNCOBMGLDNLK-NEPJUHHUSA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2C)C1 ZINC000252107118 349195856 /nfs/dbraw/zinc/19/58/56/349195856.db2.gz HEWSJGGECOMNGV-MCIONIFRSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]([NH2+]CCc1ccsc1)[C@@H]1CCCC[NH2+]1 ZINC000386540229 349273862 /nfs/dbraw/zinc/27/38/62/349273862.db2.gz DAIIILLHDMGJCD-YPMHNXCESA-N 2 1 238.400 2.411 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CC2(F)F)CC1 ZINC000666226739 490284082 /nfs/dbraw/zinc/28/40/82/490284082.db2.gz DWNXSRVMTSJRAE-KOLCDFICSA-N 2 1 232.318 2.104 20 0 BEADMP Cc1nc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cs1 ZINC000069723922 179953602 /nfs/dbraw/zinc/95/36/02/179953602.db2.gz DRCJDQDVSNCCAZ-NSHDSACASA-N 2 1 239.388 2.012 20 0 BEADMP Cc1sccc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000380982784 350106393 /nfs/dbraw/zinc/10/63/93/350106393.db2.gz IYNDMOQTYUKKRL-GFCCVEGCSA-N 2 1 238.400 2.488 20 0 BEADMP C[C@H](CC1CC1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000132373409 191029976 /nfs/dbraw/zinc/02/99/76/191029976.db2.gz GDEZDZOWSQBSIV-DGCLKSJQSA-N 2 1 222.376 2.249 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)C(C)(C)C)CC1 ZINC000133299013 191038772 /nfs/dbraw/zinc/03/87/72/191038772.db2.gz MYSZQHLQAIBNLW-LLVKDONJSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@H](N)CC(C)C ZINC000384126928 350216763 /nfs/dbraw/zinc/21/67/63/350216763.db2.gz PGMZIKAYGAYIIT-FRRDWIJNSA-N 2 1 212.381 2.480 20 0 BEADMP Cc1nccc(NC[C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000266413938 180201452 /nfs/dbraw/zinc/20/14/52/180201452.db2.gz QXBSJBRLBMJSNN-CYBMUJFWSA-N 2 1 248.374 2.317 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000355181588 180239339 /nfs/dbraw/zinc/23/93/39/180239339.db2.gz XZWCTUAJSHPBQV-KBPBESRZSA-N 2 1 233.359 2.456 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000355181588 180239340 /nfs/dbraw/zinc/23/93/40/180239340.db2.gz XZWCTUAJSHPBQV-KBPBESRZSA-N 2 1 233.359 2.456 20 0 BEADMP Cc1ncccc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368367690 180222096 /nfs/dbraw/zinc/22/20/96/180222096.db2.gz UGDAYLXRJZRJAJ-GJZGRUSLSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1ncccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000368367690 180222098 /nfs/dbraw/zinc/22/20/98/180222098.db2.gz UGDAYLXRJZRJAJ-GJZGRUSLSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1ncccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368367690 180222101 /nfs/dbraw/zinc/22/21/01/180222101.db2.gz UGDAYLXRJZRJAJ-GJZGRUSLSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1ncccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368367691 180222756 /nfs/dbraw/zinc/22/27/56/180222756.db2.gz UGDAYLXRJZRJAJ-HUUCEWRRSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1ncccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368367691 180222758 /nfs/dbraw/zinc/22/27/58/180222758.db2.gz UGDAYLXRJZRJAJ-HUUCEWRRSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1[nH+]ccn1CCCOc1cccc(C[NH3+])c1 ZINC000037050493 180246563 /nfs/dbraw/zinc/24/65/63/180246563.db2.gz HKCRDGUCTAQXAE-UHFFFAOYSA-N 2 1 245.326 2.119 20 0 BEADMP Cc1[nH+]ccn1CC[NH+](CC1CC1)CC1CC1 ZINC000336683223 180250325 /nfs/dbraw/zinc/25/03/25/180250325.db2.gz DIQKXGBUJNEBJJ-UHFFFAOYSA-N 2 1 233.359 2.314 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)C(C)C ZINC000270871598 180251784 /nfs/dbraw/zinc/25/17/84/180251784.db2.gz UFDOOECEMBXKKV-LLVKDONJSA-N 2 1 209.337 2.168 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)C(C)C ZINC000270871598 180251786 /nfs/dbraw/zinc/25/17/86/180251786.db2.gz UFDOOECEMBXKKV-LLVKDONJSA-N 2 1 209.337 2.168 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCC1 ZINC000156881168 191088361 /nfs/dbraw/zinc/08/83/61/191088361.db2.gz OPIWKEYDFFVUAA-GVXVVHGQSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCC1 ZINC000156881168 191088364 /nfs/dbraw/zinc/08/83/64/191088364.db2.gz OPIWKEYDFFVUAA-GVXVVHGQSA-N 2 1 210.365 2.247 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](C)C1 ZINC000336706317 180241148 /nfs/dbraw/zinc/24/11/48/180241148.db2.gz RFHCONGPRSLGBP-LBPRGKRZSA-N 2 1 221.348 2.314 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](C)C1 ZINC000336706317 180241150 /nfs/dbraw/zinc/24/11/50/180241150.db2.gz RFHCONGPRSLGBP-LBPRGKRZSA-N 2 1 221.348 2.314 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)C1(C)CC1 ZINC000309407486 180244137 /nfs/dbraw/zinc/24/41/37/180244137.db2.gz IBYHEVSKXOFYLX-NSHDSACASA-N 2 1 221.348 2.360 20 0 BEADMP Cc1[nH+]ccn1CCC[NH+]1[C@H](C)CC[C@H]1C ZINC000336707331 180244496 /nfs/dbraw/zinc/24/44/96/180244496.db2.gz SIWUVNOGEJYTTA-VXGBXAGGSA-N 2 1 221.348 2.454 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]CCC(C)(F)F)CC1(C)C ZINC000623534187 362954135 /nfs/dbraw/zinc/95/41/35/362954135.db2.gz BQODFJGJJWPBKE-SNVBAGLBSA-N 2 1 234.334 2.494 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCC(C)(F)F)CC1(C)C ZINC000623534186 362953745 /nfs/dbraw/zinc/95/37/45/362953745.db2.gz BQODFJGJJWPBKE-JTQLQIEISA-N 2 1 234.334 2.494 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000324871789 350314230 /nfs/dbraw/zinc/31/42/30/350314230.db2.gz CBWGYTNFYJMDGI-WFASDCNBSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1ccncc1CN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000162689261 350323539 /nfs/dbraw/zinc/32/35/39/350323539.db2.gz GGOYWEKYOHZCKR-TZMCWYRMSA-N 2 1 245.370 2.105 20 0 BEADMP CCC[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)OC ZINC000623535261 362954604 /nfs/dbraw/zinc/95/46/04/362954604.db2.gz SARGAMSPGZTZGI-STQMWFEESA-N 2 1 242.407 2.264 20 0 BEADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000309360524 350352253 /nfs/dbraw/zinc/35/22/53/350352253.db2.gz OQWDVASQTXFJMZ-XBFCOCLRSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000309360524 350352256 /nfs/dbraw/zinc/35/22/56/350352256.db2.gz OQWDVASQTXFJMZ-XBFCOCLRSA-N 2 1 224.392 2.493 20 0 BEADMP Cc1ncsc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000084149115 180320450 /nfs/dbraw/zinc/32/04/50/180320450.db2.gz BXHVWOITULAQFU-UHFFFAOYSA-N 2 1 241.404 2.129 20 0 BEADMP Cc1ncsc1C[NH2+]CC1([NH3+])CCCCC1 ZINC000070838056 180320858 /nfs/dbraw/zinc/32/08/58/180320858.db2.gz GDVFYLVVYMUASS-UHFFFAOYSA-N 2 1 239.388 2.203 20 0 BEADMP Cc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc[nH+]1 ZINC000162812278 350438437 /nfs/dbraw/zinc/43/84/37/350438437.db2.gz POBXYQPNWNRYIN-UONOGXRCSA-N 2 1 231.343 2.429 20 0 BEADMP Cc1ccncc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623539463 362958603 /nfs/dbraw/zinc/95/86/03/362958603.db2.gz PKKFRFNBGCIUQQ-AWEZNQCLSA-N 2 1 247.386 2.352 20 0 BEADMP Cc1ccncc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623539463 362958606 /nfs/dbraw/zinc/95/86/06/362958606.db2.gz PKKFRFNBGCIUQQ-AWEZNQCLSA-N 2 1 247.386 2.352 20 0 BEADMP C[NH2+]CCC[NH2+]Cc1cc2ccccc2o1 ZINC000163319575 350516732 /nfs/dbraw/zinc/51/67/32/350516732.db2.gz FUJMFMPUNUHSLD-UHFFFAOYSA-N 2 1 218.300 2.132 20 0 BEADMP C[C@@H]1CC[N@@H+](CCC[NH3+])[C@H]2CCCC[C@@H]12 ZINC000577481854 365963506 /nfs/dbraw/zinc/96/35/06/365963506.db2.gz GGONNHQUKJXBBT-AGIUHOORSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)O1 ZINC000623545188 362965247 /nfs/dbraw/zinc/96/52/47/362965247.db2.gz AAXAGOUQTLARPD-UPJWGTAASA-N 2 1 240.391 2.016 20 0 BEADMP CC1(C)CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000063067289 350570586 /nfs/dbraw/zinc/57/05/86/350570586.db2.gz IHPJXHGWUUTBDR-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)COC(C)C)C1 ZINC000337308023 350571823 /nfs/dbraw/zinc/57/18/23/350571823.db2.gz SSIFMHYNRPMPMM-KBPBESRZSA-N 2 1 242.407 2.121 20 0 BEADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623546795 362968158 /nfs/dbraw/zinc/96/81/58/362968158.db2.gz SKCAYAIUBGUULX-RWMBFGLXSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CS1 ZINC000623549723 362969951 /nfs/dbraw/zinc/96/99/51/362969951.db2.gz MOSQMNFOWKTOSV-UTUOFQBUSA-N 2 1 242.432 2.343 20 0 BEADMP CC[C@H](C)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335277590 133823163 /nfs/dbraw/zinc/82/31/63/133823163.db2.gz JSLPTMVEBFTWFR-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP CC1(C)CC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000336656655 350614678 /nfs/dbraw/zinc/61/46/78/350614678.db2.gz LQAQQZDOWKKFFV-WCQYABFASA-N 2 1 222.376 2.249 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CC23CC3)CC1(C)C ZINC000623554617 362975533 /nfs/dbraw/zinc/97/55/33/362975533.db2.gz GZZUOMHELDPEFI-GHMZBOCLSA-N 2 1 208.349 2.001 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@]2(C)CC2(F)F)CC1(C)C ZINC000623570155 362999921 /nfs/dbraw/zinc/99/99/21/362999921.db2.gz JEADXLFZSUGSDX-ZYHUDNBSSA-N 2 1 246.345 2.494 20 0 BEADMP CC1CCC(C[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000063144347 351256765 /nfs/dbraw/zinc/25/67/65/351256765.db2.gz POBLXMDPTFMTBM-UHFFFAOYSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H](c1ccncc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000607358470 351332485 /nfs/dbraw/zinc/33/24/85/351332485.db2.gz JHRNOFXYZIVSGH-KBPBESRZSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@@H](c1ccncc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000607358470 351332488 /nfs/dbraw/zinc/33/24/88/351332488.db2.gz JHRNOFXYZIVSGH-KBPBESRZSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@@H](c1ccncc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000607358470 351332491 /nfs/dbraw/zinc/33/24/91/351332491.db2.gz JHRNOFXYZIVSGH-KBPBESRZSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@@H](c1ccncc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000607358470 351332493 /nfs/dbraw/zinc/33/24/93/351332493.db2.gz JHRNOFXYZIVSGH-KBPBESRZSA-N 2 1 247.386 2.416 20 0 BEADMP [NH3+]C[C@H]([NH2+]Cc1ccnc2ccccc12)C1CC1 ZINC000577720426 366042093 /nfs/dbraw/zinc/04/20/93/366042093.db2.gz BAYYBZHIZWLXIX-HNNXBMFYSA-N 2 1 241.338 2.062 20 0 BEADMP [NH3+]C[C@@H]([NH2+]Cc1ccnc2ccccc12)C1CC1 ZINC000577720427 366042482 /nfs/dbraw/zinc/04/24/82/366042482.db2.gz BAYYBZHIZWLXIX-OAHLLOKOSA-N 2 1 241.338 2.062 20 0 BEADMP CCNCC[NH2+]CC[C@H](C)c1ccccc1 ZINC000414854718 351906174 /nfs/dbraw/zinc/90/61/74/351906174.db2.gz ZWUHDQWRYYQBTI-ZDUSSCGKSA-N 2 1 220.360 2.379 20 0 BEADMP CC[NH2+]CC[NH2+]CC[C@H](C)c1ccccc1 ZINC000414854718 351906177 /nfs/dbraw/zinc/90/61/77/351906177.db2.gz ZWUHDQWRYYQBTI-ZDUSSCGKSA-N 2 1 220.360 2.379 20 0 BEADMP CC[C@](C)(C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)OC ZINC000638118040 351994003 /nfs/dbraw/zinc/99/40/03/351994003.db2.gz VEQBADONWZBICR-BFHYXJOUSA-N 2 1 242.407 2.216 20 0 BEADMP CC[C@](C)(C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)OC ZINC000638118040 351994005 /nfs/dbraw/zinc/99/40/05/351994005.db2.gz VEQBADONWZBICR-BFHYXJOUSA-N 2 1 242.407 2.216 20 0 BEADMP CC[C@](C)(C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC000638118040 351994007 /nfs/dbraw/zinc/99/40/07/351994007.db2.gz VEQBADONWZBICR-BFHYXJOUSA-N 2 1 242.407 2.216 20 0 BEADMP CC[C@](C)(C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)OC ZINC000638118040 351994009 /nfs/dbraw/zinc/99/40/09/351994009.db2.gz VEQBADONWZBICR-BFHYXJOUSA-N 2 1 242.407 2.216 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638336065 352154245 /nfs/dbraw/zinc/15/42/45/352154245.db2.gz XQFUWTJHKFXNOO-REBRKWNGSA-N 2 1 247.386 2.463 20 0 BEADMP CC[C@@H](C[NH2+]CCC[C@H]1CCO1)[NH+]1CCCC1 ZINC000638354460 352168834 /nfs/dbraw/zinc/16/88/34/352168834.db2.gz NRNOMJCFPPTERE-KBPBESRZSA-N 2 1 240.391 2.020 20 0 BEADMP CC[C@@H](C[NH2+]CCC[C@@H]1CCO1)[NH+]1CCCC1 ZINC000638354462 352169308 /nfs/dbraw/zinc/16/93/08/352169308.db2.gz NRNOMJCFPPTERE-UONOGXRCSA-N 2 1 240.391 2.020 20 0 BEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638321769 352144348 /nfs/dbraw/zinc/14/43/48/352144348.db2.gz MEKLUQWTRPQIMG-CLLJXQQHSA-N 2 1 234.387 2.249 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CS[C@@H](C)C2)C1 ZINC000638451118 352257978 /nfs/dbraw/zinc/25/79/78/352257978.db2.gz LHTYOAFJIPPION-XQQFMLRXSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@H](CCc1ccccc1)C[NH2+][C@@H](C)C[NH3+] ZINC000414949136 352370749 /nfs/dbraw/zinc/37/07/49/352370749.db2.gz YWUMETSTWLJWDQ-OLZOCXBDSA-N 2 1 220.360 2.192 20 0 BEADMP C[N@H+](CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C1CCCC1 ZINC000638545937 352376358 /nfs/dbraw/zinc/37/63/58/352376358.db2.gz YFKPHBKUAZOWBR-BTTYYORXSA-N 2 1 236.403 2.497 20 0 BEADMP C[N@@H+](CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C1CCCC1 ZINC000638545937 352376361 /nfs/dbraw/zinc/37/63/61/352376361.db2.gz YFKPHBKUAZOWBR-BTTYYORXSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H](C[N@@H+]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000041271332 352605566 /nfs/dbraw/zinc/60/55/66/352605566.db2.gz XGELVAJDZJNKQI-LBPRGKRZSA-N 2 1 236.334 2.225 20 0 BEADMP C[C@@H](C[N@H+]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000041271332 352605570 /nfs/dbraw/zinc/60/55/70/352605570.db2.gz XGELVAJDZJNKQI-LBPRGKRZSA-N 2 1 236.334 2.225 20 0 BEADMP C[N@@H+](CC1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000042011635 352617028 /nfs/dbraw/zinc/61/70/28/352617028.db2.gz ZASRIPYKYIYQQE-PBWFPOADSA-N 2 1 222.376 2.391 20 0 BEADMP CCC[N@H+](CC)CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638720971 352571523 /nfs/dbraw/zinc/57/15/23/352571523.db2.gz MFUYACLONCJLAY-BTTYYORXSA-N 2 1 224.392 2.354 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638720971 352571526 /nfs/dbraw/zinc/57/15/26/352571526.db2.gz MFUYACLONCJLAY-BTTYYORXSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H](C[NH2+][C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043324793 352636342 /nfs/dbraw/zinc/63/63/42/352636342.db2.gz VLZIXWIHSYXSMC-JSGCOSHPSA-N 2 1 218.344 2.132 20 0 BEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C[C@@H]1C[C@@H]1C ZINC000336746059 352735536 /nfs/dbraw/zinc/73/55/36/352735536.db2.gz WBOWPGAJSOVHIU-MELADBBJSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C[C@@H]1C[C@@H]1C ZINC000336746059 352735539 /nfs/dbraw/zinc/73/55/39/352735539.db2.gz WBOWPGAJSOVHIU-MELADBBJSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1[nH+]ccc(N2CC[N@H+](C)C[C@H]2C)c1Cl ZINC000334336181 352971736 /nfs/dbraw/zinc/97/17/36/352971736.db2.gz RWEHMOKWKWBSEF-SECBINFHSA-N 2 1 239.750 2.184 20 0 BEADMP CCC[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000250639917 535192145 /nfs/dbraw/zinc/19/21/45/535192145.db2.gz SSLVMFMCBUQXMV-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000336753581 353107486 /nfs/dbraw/zinc/10/74/86/353107486.db2.gz FBGLCNLMODQANJ-ZIAGYGMSSA-N 2 1 222.376 2.249 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCSCC1 ZINC000045692116 353151098 /nfs/dbraw/zinc/15/10/98/353151098.db2.gz JQHUZBPWAQBAIZ-LLVKDONJSA-N 2 1 230.421 2.202 20 0 BEADMP CCC[C@H](CC)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000300414357 188082330 /nfs/dbraw/zinc/08/23/30/188082330.db2.gz KSEDWRBMDLJQQP-IHRRRGAJSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[C@H](CC)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000300414357 188082332 /nfs/dbraw/zinc/08/23/32/188082332.db2.gz KSEDWRBMDLJQQP-IHRRRGAJSA-N 2 1 240.391 2.018 20 0 BEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCS1 ZINC000128074109 188084932 /nfs/dbraw/zinc/08/49/32/188084932.db2.gz RUXARMORPGJVPC-AGIUHOORSA-N 2 1 240.416 2.098 20 0 BEADMP COc1ccccc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271867202 188090633 /nfs/dbraw/zinc/09/06/33/188090633.db2.gz WPGBCLGLYUEYPU-UHFFFAOYSA-N 2 1 246.354 2.047 20 0 BEADMP C([NH2+]C1CCCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037408432 188107214 /nfs/dbraw/zinc/10/72/14/188107214.db2.gz ZZRXJFZFEGXNTH-NSHDSACASA-N 2 1 208.349 2.003 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000309448429 188144265 /nfs/dbraw/zinc/14/42/65/188144265.db2.gz LXEZGRCOXXTEOL-PWSUYJOCSA-N 2 1 221.348 2.216 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc(F)c1 ZINC000049330003 188124266 /nfs/dbraw/zinc/12/42/66/188124266.db2.gz PPKZVRIOGGQRGV-UHFFFAOYSA-N 2 1 233.290 2.120 20 0 BEADMP CC(C)C[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037485330 188151856 /nfs/dbraw/zinc/15/18/56/188151856.db2.gz LVIOGPRFNAMSPW-QWHCGFSZSA-N 2 1 224.392 2.495 20 0 BEADMP CCC[C@H](CC)[NH2+]CCn1cc[nH+]c1C ZINC000050403285 188154025 /nfs/dbraw/zinc/15/40/25/188154025.db2.gz NJZWQYQTLPIZOB-LBPRGKRZSA-N 2 1 209.337 2.360 20 0 BEADMP C1[C@H]2CCC[C@@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)[C@@H]12 ZINC000306073395 188154604 /nfs/dbraw/zinc/15/46/04/188154604.db2.gz DNFJOCUWIWKGKC-CAEXGNQWSA-N 2 1 234.387 2.391 20 0 BEADMP Cn1cc[nH+]c1CC1CC[NH+](CCC2CC2)CC1 ZINC000336784684 188183453 /nfs/dbraw/zinc/18/34/53/188183453.db2.gz VEJIECUJSFZMFH-UHFFFAOYSA-N 2 1 247.386 2.475 20 0 BEADMP C(=C/c1ccccc1)\C[N@@H+]1CCn2cncc2C1 ZINC000291502623 188211809 /nfs/dbraw/zinc/21/18/09/188211809.db2.gz HNGXMOHAJRMCDC-QPJJXVBHSA-N 2 1 239.322 2.412 20 0 BEADMP C(=C/c1ccccc1)\C[N@H+]1CCn2cncc2C1 ZINC000291502623 188211810 /nfs/dbraw/zinc/21/18/10/188211810.db2.gz HNGXMOHAJRMCDC-QPJJXVBHSA-N 2 1 239.322 2.412 20 0 BEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@H]1CCC[C@@H](C)C1 ZINC000251970278 353293647 /nfs/dbraw/zinc/29/36/47/353293647.db2.gz YCWOXAIQSXHGFV-YIYPIFLZSA-N 2 1 224.392 2.482 20 0 BEADMP CC[N@@H+](CC1CCC1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000230321050 353487575 /nfs/dbraw/zinc/48/75/75/353487575.db2.gz QSRIDKGPERMGCK-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH3+] ZINC000252368455 363229942 /nfs/dbraw/zinc/22/99/42/363229942.db2.gz OXJYWERKFNGMGY-ZIAGYGMSSA-N 2 1 218.344 2.246 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccs3)C[C@@H]21 ZINC000230126739 353473263 /nfs/dbraw/zinc/47/32/63/353473263.db2.gz FUMKYKSMYPIVMB-WCFLWFBJSA-N 2 1 236.384 2.307 20 0 BEADMP CC1(C)CC[N@@H+](C[C@H]2CCC[NH2+]C2)CCS1 ZINC000231047870 353560730 /nfs/dbraw/zinc/56/07/30/353560730.db2.gz YETSKADZOAQYGM-LBPRGKRZSA-N 2 1 242.432 2.204 20 0 BEADMP CCC[C@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)OC ZINC000639106240 353612877 /nfs/dbraw/zinc/61/28/77/353612877.db2.gz XLRLXKYMIRCJJE-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP CC1(F)CC([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000334518500 353654676 /nfs/dbraw/zinc/65/46/76/353654676.db2.gz IBYGDIVELWWCBZ-UHFFFAOYSA-N 2 1 226.339 2.093 20 0 BEADMP CC(C)[N@@H+](CC1CCC1)C[C@H]1CCC[NH2+]C1 ZINC000232662036 353752935 /nfs/dbraw/zinc/75/29/35/353752935.db2.gz OMQLHSAKNZTGKO-AWEZNQCLSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@@H+](C)C[C@H]1CCN(C/C=C(\C)Cl)C1 ZINC000528396507 324220252 /nfs/dbraw/zinc/22/02/52/324220252.db2.gz IEPCQZHTWCRWDB-JXDHDYMSSA-N 2 1 230.783 2.403 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000220219906 353826824 /nfs/dbraw/zinc/82/68/24/353826824.db2.gz ITDJZKBRJUMDDF-IYBDPMFKSA-N 2 1 244.382 2.263 20 0 BEADMP CC[NH2+][C@H](C)C[NH2+][C@@H](C)Cc1ccsc1 ZINC000577940477 366114760 /nfs/dbraw/zinc/11/47/60/366114760.db2.gz XLIHNFQUPKZKDX-WDEREUQCSA-N 2 1 226.389 2.267 20 0 BEADMP C1=C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000334520093 353883840 /nfs/dbraw/zinc/88/38/40/353883840.db2.gz WAHRWDXSFYGOMM-GFCCVEGCSA-N 2 1 220.360 2.312 20 0 BEADMP C[C@@H]1C[C@H]1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000343614024 353933748 /nfs/dbraw/zinc/93/37/48/353933748.db2.gz IPDSJZKCPKORNS-OLZOCXBDSA-N 2 1 210.365 2.060 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCOC[C@H]1C ZINC000343921887 354042940 /nfs/dbraw/zinc/04/29/40/354042940.db2.gz FJISVXVKFYOBQT-RDBSUJKOSA-N 2 1 242.407 2.121 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCOC[C@H]1C ZINC000343921887 354042943 /nfs/dbraw/zinc/04/29/43/354042943.db2.gz FJISVXVKFYOBQT-RDBSUJKOSA-N 2 1 242.407 2.121 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCS[C@H]2C)[C@@H](C)C1 ZINC000309630427 491058254 /nfs/dbraw/zinc/05/82/54/491058254.db2.gz HPUFBJRJMFHBPT-ZDEQEGDKSA-N 2 1 242.432 2.200 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639170024 354096757 /nfs/dbraw/zinc/09/67/57/354096757.db2.gz OGBFBLISKRDBMK-APIJFGDWSA-N 2 1 236.403 2.352 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)CC1CCSCC1 ZINC000639174579 354185720 /nfs/dbraw/zinc/18/57/20/354185720.db2.gz COJXBSVBFQKNEW-UHFFFAOYSA-N 2 1 244.448 2.403 20 0 BEADMP CC1CC([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC000231787175 363352833 /nfs/dbraw/zinc/35/28/33/363352833.db2.gz RHXMJCDCXNCICL-UHFFFAOYSA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@@H](C)[C@@H](C[N@@H+](CC)CCC[NH+](C)C)OC ZINC000639175026 354190818 /nfs/dbraw/zinc/19/08/18/354190818.db2.gz GNOBGTUDKUDURI-ZIAGYGMSSA-N 2 1 244.423 2.321 20 0 BEADMP CC(C)C1(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC000639202662 354607672 /nfs/dbraw/zinc/60/76/72/354607672.db2.gz AAPDONKNTCRTSY-AWEZNQCLSA-N 2 1 236.403 2.450 20 0 BEADMP CC(C)C1(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000639202662 354607675 /nfs/dbraw/zinc/60/76/75/354607675.db2.gz AAPDONKNTCRTSY-AWEZNQCLSA-N 2 1 236.403 2.450 20 0 BEADMP CC(C)C1(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000639202662 354607677 /nfs/dbraw/zinc/60/76/77/354607677.db2.gz AAPDONKNTCRTSY-AWEZNQCLSA-N 2 1 236.403 2.450 20 0 BEADMP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000346034007 354862321 /nfs/dbraw/zinc/86/23/21/354862321.db2.gz DQZGZHSCMXTHEQ-DZGCQCFKSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000346034007 354862326 /nfs/dbraw/zinc/86/23/26/354862326.db2.gz DQZGZHSCMXTHEQ-DZGCQCFKSA-N 2 1 232.371 2.288 20 0 BEADMP F[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000335169420 354931891 /nfs/dbraw/zinc/93/18/91/354931891.db2.gz KQNDLTASUMAFRC-CMPLNLGQSA-N 2 1 226.339 2.093 20 0 BEADMP C1CC2(CCCC2)[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000335177548 354947847 /nfs/dbraw/zinc/94/78/47/354947847.db2.gz IRNSGHPRAMGQNC-VXGBXAGGSA-N 2 1 208.349 2.051 20 0 BEADMP Cc1csc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000335164186 354951151 /nfs/dbraw/zinc/95/11/51/354951151.db2.gz OTTVKAJQHHAZLT-WDEREUQCSA-N 2 1 210.346 2.026 20 0 BEADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H]2CCSC2)CC1 ZINC000335196455 355029699 /nfs/dbraw/zinc/02/96/99/355029699.db2.gz WHQAXQVMOZSSMG-CHWSQXEVSA-N 2 1 242.432 2.156 20 0 BEADMP CC[C@H](C[N@@H+]1CC[C@@H](N)C1)c1ccccc1 ZINC000346690667 355075251 /nfs/dbraw/zinc/07/52/51/355075251.db2.gz URQNGHPBTVFSIZ-TZMCWYRMSA-N 2 1 218.344 2.213 20 0 BEADMP CC[C@H](C[N@H+]1CC[C@@H](N)C1)c1ccccc1 ZINC000346690667 355075254 /nfs/dbraw/zinc/07/52/54/355075254.db2.gz URQNGHPBTVFSIZ-TZMCWYRMSA-N 2 1 218.344 2.213 20 0 BEADMP CC[C@H](C[N@@H+]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000346690667 355075256 /nfs/dbraw/zinc/07/52/56/355075256.db2.gz URQNGHPBTVFSIZ-TZMCWYRMSA-N 2 1 218.344 2.213 20 0 BEADMP CC[C@H](C[N@H+]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000346690667 355075258 /nfs/dbraw/zinc/07/52/58/355075258.db2.gz URQNGHPBTVFSIZ-TZMCWYRMSA-N 2 1 218.344 2.213 20 0 BEADMP C1CC2(C1)CCC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000335183084 355081347 /nfs/dbraw/zinc/08/13/47/355081347.db2.gz ZTNKALGDUSFPRY-NWDGAFQWSA-N 2 1 208.349 2.051 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC000335215935 355054331 /nfs/dbraw/zinc/05/43/31/355054331.db2.gz KORIKVQSEDSUNM-KGLIPLIRSA-N 2 1 241.338 2.204 20 0 BEADMP CCCCOCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000040506806 358494126 /nfs/dbraw/zinc/49/41/26/358494126.db2.gz IFZFBRCSFFJZCR-BFHYXJOUSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1CCC[C@H](C)[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346965928 355173463 /nfs/dbraw/zinc/17/34/63/355173463.db2.gz CELFRZSTANHTBY-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP COc1ccccc1[C@H]1CC[N@H+](CC(C)(C)[NH3+])C1 ZINC000346968968 355174973 /nfs/dbraw/zinc/17/49/73/355174973.db2.gz FNSXEBOLRQSIBC-LBPRGKRZSA-N 2 1 248.370 2.222 20 0 BEADMP COc1ccccc1[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000346968968 355174974 /nfs/dbraw/zinc/17/49/74/355174974.db2.gz FNSXEBOLRQSIBC-LBPRGKRZSA-N 2 1 248.370 2.222 20 0 BEADMP Fc1ccc2c(c1)C[N@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000335241754 355176761 /nfs/dbraw/zinc/17/67/61/355176761.db2.gz PPEJIUGAWFHUOI-GFCCVEGCSA-N 2 1 248.345 2.183 20 0 BEADMP CCC[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346997592 355195878 /nfs/dbraw/zinc/19/58/78/355195878.db2.gz XMERJWBPIGIDBO-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP Fc1ccccc1C1([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC000347000836 355197949 /nfs/dbraw/zinc/19/79/49/355197949.db2.gz ZOVRGALIMYWZOD-GFCCVEGCSA-N 2 1 248.345 2.404 20 0 BEADMP CC(C)([NH3+])C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000347012179 355204781 /nfs/dbraw/zinc/20/47/81/355204781.db2.gz UYOAZLTWTJTVMR-CYBMUJFWSA-N 2 1 248.370 2.125 20 0 BEADMP CC(C)([NH3+])C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000347012179 355204786 /nfs/dbraw/zinc/20/47/86/355204786.db2.gz UYOAZLTWTJTVMR-CYBMUJFWSA-N 2 1 248.370 2.125 20 0 BEADMP CCSCC[C@H](C)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000347012161 355204820 /nfs/dbraw/zinc/20/48/20/355204820.db2.gz UUSFBSJTNKRNJK-STQMWFEESA-N 2 1 244.448 2.450 20 0 BEADMP CC[C@H](C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C)OC ZINC000412978748 191349352 /nfs/dbraw/zinc/34/93/52/191349352.db2.gz RAENIUXGXWCRLM-BFHYXJOUSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@H](C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C)OC ZINC000412978748 191349355 /nfs/dbraw/zinc/34/93/55/191349355.db2.gz RAENIUXGXWCRLM-BFHYXJOUSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@H](C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C)OC ZINC000412978748 191349357 /nfs/dbraw/zinc/34/93/57/191349357.db2.gz RAENIUXGXWCRLM-BFHYXJOUSA-N 2 1 242.407 2.074 20 0 BEADMP C[N@@H+](CCCC[NH2+]Cc1ccns1)C1CC1 ZINC000639245432 355269718 /nfs/dbraw/zinc/26/97/18/355269718.db2.gz XVPUNCFADGKUSL-UHFFFAOYSA-N 2 1 239.388 2.107 20 0 BEADMP CSC1(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)CC1 ZINC000347597953 355251096 /nfs/dbraw/zinc/25/10/96/355251096.db2.gz XAZSBIQDHDBWAG-GFCCVEGCSA-N 2 1 242.432 2.156 20 0 BEADMP CSC1(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000347597953 355251098 /nfs/dbraw/zinc/25/10/98/355251098.db2.gz XAZSBIQDHDBWAG-GFCCVEGCSA-N 2 1 242.432 2.156 20 0 BEADMP CSC1(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000347597953 355251099 /nfs/dbraw/zinc/25/10/99/355251099.db2.gz XAZSBIQDHDBWAG-GFCCVEGCSA-N 2 1 242.432 2.156 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+]CCC[C@@H]1CCO1 ZINC000639290882 355466250 /nfs/dbraw/zinc/46/62/50/355466250.db2.gz WNZFHFDCNZLEIC-CQSZACIVSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414892308 191617243 /nfs/dbraw/zinc/61/72/43/191617243.db2.gz XZSSXLIDONXXAI-HUUCEWRRSA-N 2 1 232.371 2.349 20 0 BEADMP CCCC[C@@H](COC)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415070474 191669790 /nfs/dbraw/zinc/66/97/90/191669790.db2.gz VCYUZLDAWZFUHB-KBPBESRZSA-N 2 1 242.407 2.299 20 0 BEADMP CCCC[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000350179931 355621184 /nfs/dbraw/zinc/62/11/84/355621184.db2.gz AXCLGKOCVDKULZ-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639346660 355793248 /nfs/dbraw/zinc/79/32/48/355793248.db2.gz HUHHWKWZSLIQFD-XQLPTFJDSA-N 2 1 236.403 2.354 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@@H]1CC1(F)F ZINC000639347487 355793578 /nfs/dbraw/zinc/79/35/78/355793578.db2.gz ODVUMYZZZGKQRS-TUAOUCFPSA-N 2 1 246.345 2.352 20 0 BEADMP CCC[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)OC ZINC000639347804 355794729 /nfs/dbraw/zinc/79/47/29/355794729.db2.gz QYOUJVSKGRARKJ-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1C ZINC000216009415 355795712 /nfs/dbraw/zinc/79/57/12/355795712.db2.gz XERLLWGCXCOUPZ-ZFWWWQNUSA-N 2 1 232.371 2.473 20 0 BEADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccncc2)C1 ZINC000608577961 355866264 /nfs/dbraw/zinc/86/62/64/355866264.db2.gz OPBDUYHDSDXDAT-UONOGXRCSA-N 2 1 247.386 2.416 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccncc2)C1 ZINC000608577961 355866265 /nfs/dbraw/zinc/86/62/65/355866265.db2.gz OPBDUYHDSDXDAT-UONOGXRCSA-N 2 1 247.386 2.416 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2ccncc2)C1 ZINC000608577961 355866267 /nfs/dbraw/zinc/86/62/67/355866267.db2.gz OPBDUYHDSDXDAT-UONOGXRCSA-N 2 1 247.386 2.416 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2ccncc2)C1 ZINC000608577961 355866268 /nfs/dbraw/zinc/86/62/68/355866268.db2.gz OPBDUYHDSDXDAT-UONOGXRCSA-N 2 1 247.386 2.416 20 0 BEADMP CC[C@@]1(C)CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000399376576 355867738 /nfs/dbraw/zinc/86/77/38/355867738.db2.gz OBCPRJFPTMFAMU-STQMWFEESA-N 2 1 210.365 2.108 20 0 BEADMP Cc1ccc(CC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000351495957 356003014 /nfs/dbraw/zinc/00/30/14/356003014.db2.gz QISUVHKFVRAMGI-ARFHVFGLSA-N 2 1 244.382 2.207 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCF)[C@H](C)C1 ZINC000351866488 356101226 /nfs/dbraw/zinc/10/12/26/356101226.db2.gz XDHSWVOCAXCIEJ-CHWSQXEVSA-N 2 1 230.371 2.398 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCF)[C@H](C)C1 ZINC000351866488 356101229 /nfs/dbraw/zinc/10/12/29/356101229.db2.gz XDHSWVOCAXCIEJ-CHWSQXEVSA-N 2 1 230.371 2.398 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCF)[C@H](C)C1 ZINC000351866488 356101234 /nfs/dbraw/zinc/10/12/34/356101234.db2.gz XDHSWVOCAXCIEJ-CHWSQXEVSA-N 2 1 230.371 2.398 20 0 BEADMP COC[C@H](C)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000526114537 356226826 /nfs/dbraw/zinc/22/68/26/356226826.db2.gz CSJFZNWFFWOTSH-CYBMUJFWSA-N 2 1 242.407 2.074 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCCc1ccncc1 ZINC000420264620 192191797 /nfs/dbraw/zinc/19/17/97/192191797.db2.gz ASGMHYVCUFFGLO-HIFRSBDPSA-N 2 1 247.386 2.216 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCCc1ccncc1 ZINC000420264620 192191798 /nfs/dbraw/zinc/19/17/98/192191798.db2.gz ASGMHYVCUFFGLO-HIFRSBDPSA-N 2 1 247.386 2.216 20 0 BEADMP CCO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000449761587 202027822 /nfs/dbraw/zinc/02/78/22/202027822.db2.gz YZVGWNFWAMAUDQ-ZIAGYGMSSA-N 2 1 240.391 2.018 20 0 BEADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@H](C)C(C)C ZINC000420295762 192205142 /nfs/dbraw/zinc/20/51/42/192205142.db2.gz CQJMFDHACRFTMD-CHWSQXEVSA-N 2 1 212.381 2.352 20 0 BEADMP CCSCC[C@@H](C)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420298864 192205785 /nfs/dbraw/zinc/20/57/85/192205785.db2.gz IDIZKAKTRIBOOS-CHWSQXEVSA-N 2 1 244.448 2.450 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCCc1ccncc1 ZINC000420287067 192201682 /nfs/dbraw/zinc/20/16/82/192201682.db2.gz HJJJJQGBJVFVJR-HNNXBMFYSA-N 2 1 249.402 2.319 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCCc2ccncc2)C1 ZINC000420292678 192202828 /nfs/dbraw/zinc/20/28/28/192202828.db2.gz PVJXNQJUOOGUTD-UKRRQHHQSA-N 2 1 247.386 2.073 20 0 BEADMP CCCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420334287 192214729 /nfs/dbraw/zinc/21/47/29/192214729.db2.gz GBIJBCCDZWIECC-STQMWFEESA-N 2 1 210.365 2.108 20 0 BEADMP Cc1ccccc1CCC[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420352567 192217442 /nfs/dbraw/zinc/21/74/42/192217442.db2.gz ASIPOSYFOFCQGD-UKRRQHHQSA-N 2 1 232.371 2.207 20 0 BEADMP Cc1ccccc1CCC[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420352567 192217443 /nfs/dbraw/zinc/21/74/43/192217443.db2.gz ASIPOSYFOFCQGD-UKRRQHHQSA-N 2 1 232.371 2.207 20 0 BEADMP C(C[N@H+]1CCC[C@@H]1C1CCC1)[C@H]1CC[NH2+]C1 ZINC000420306641 192208221 /nfs/dbraw/zinc/20/82/21/192208221.db2.gz QREMSUZPLMMJRH-TZMCWYRMSA-N 2 1 222.376 2.251 20 0 BEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000420312080 192210525 /nfs/dbraw/zinc/21/05/25/192210525.db2.gz OFMABVDNSYPIBH-NSHDSACASA-N 2 1 249.358 2.113 20 0 BEADMP Cc1ccc(C[N@@H+](C)CC[C@H]2CC[NH2+]C2)s1 ZINC000420312847 192210534 /nfs/dbraw/zinc/21/05/34/192210534.db2.gz XKDGAOUKZCQLLB-GFCCVEGCSA-N 2 1 238.400 2.488 20 0 BEADMP CCc1cccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000420317221 192212267 /nfs/dbraw/zinc/21/22/67/192212267.db2.gz MRSUGQPYIOETSF-DOMZBBRYSA-N 2 1 232.371 2.418 20 0 BEADMP [NH3+]C[C@@H]([NH2+]CC1CCC1)C1CCCCC1 ZINC000420369221 192226155 /nfs/dbraw/zinc/22/61/55/192226155.db2.gz OFBDPOVQSYHLRH-CYBMUJFWSA-N 2 1 210.365 2.284 20 0 BEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC1CCCC1 ZINC000420371387 192228318 /nfs/dbraw/zinc/22/83/18/192228318.db2.gz PKAPFBDZYAUGAG-NTZNESFSSA-N 2 1 210.365 2.153 20 0 BEADMP c1ccc(C[N@H+](CC[C@H]2CC[NH2+]C2)C2CC2)nc1 ZINC000420370796 192228626 /nfs/dbraw/zinc/22/86/26/192228626.db2.gz ZEOHVOXRPRNUCI-CYBMUJFWSA-N 2 1 245.370 2.046 20 0 BEADMP CCc1ccc(CC[N@@H+](C)C2CC([NH3+])C2)cc1 ZINC000420328614 192229089 /nfs/dbraw/zinc/22/90/89/192229089.db2.gz HTXQUKBKOQAGFE-UHFFFAOYSA-N 2 1 232.371 2.213 20 0 BEADMP c1cc([C@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)ccn1 ZINC000420363486 192223229 /nfs/dbraw/zinc/22/32/29/192223229.db2.gz PHBXAVVNPDHRNG-DZGCQCFKSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1[C@H]1CCCc2ccccc21 ZINC000420362925 192223871 /nfs/dbraw/zinc/22/38/71/192223871.db2.gz ZVFRRNKQNCACIM-CQDKDKBSSA-N 2 1 230.355 2.486 20 0 BEADMP [NH3+]C[C@H]([NH2+]CCc1cccnc1)C1CCCCC1 ZINC000420369334 192225614 /nfs/dbraw/zinc/22/56/14/192225614.db2.gz OISQDJAHDLCANF-HNNXBMFYSA-N 2 1 247.386 2.121 20 0 BEADMP [NH3+]C[C@H]1C[N@@H+](CCCC2CCCC2)CCCO1 ZINC000420389672 192234942 /nfs/dbraw/zinc/23/49/42/192234942.db2.gz MHYGGKPXEDYSOQ-AWEZNQCLSA-N 2 1 240.391 2.006 20 0 BEADMP C[NH2+]CCC[N@H+](C)Cc1ccccc1SC ZINC000420384124 192235087 /nfs/dbraw/zinc/23/50/87/192235087.db2.gz CTAYEXSVWPTNEV-UHFFFAOYSA-N 2 1 238.400 2.450 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1ccccc1SC ZINC000420384124 192235089 /nfs/dbraw/zinc/23/50/89/192235089.db2.gz CTAYEXSVWPTNEV-UHFFFAOYSA-N 2 1 238.400 2.450 20 0 BEADMP c1cn(CC[N@H+]2CC[C@H](C3CCCC3)C2)cn1 ZINC000420960165 192280964 /nfs/dbraw/zinc/28/09/64/192280964.db2.gz GILJKZMUIUMVJR-AWEZNQCLSA-N 2 1 233.359 2.395 20 0 BEADMP C[C@@H]1C[C@@H]([NH+](C)CC2CC(F)(F)C2)CC[N@@H+]1C ZINC000336185997 134121502 /nfs/dbraw/zinc/12/15/02/134121502.db2.gz JQXVIZQWZINGKG-PWSUYJOCSA-N 2 1 246.345 2.446 20 0 BEADMP C[C@@H]1C[C@@H]([NH+](C)CC2CC(F)(F)C2)CC[N@H+]1C ZINC000336185997 134121503 /nfs/dbraw/zinc/12/15/03/134121503.db2.gz JQXVIZQWZINGKG-PWSUYJOCSA-N 2 1 246.345 2.446 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+](C)CC2CC(F)(F)C2)CC[NH+]1C ZINC000336185997 134121504 /nfs/dbraw/zinc/12/15/04/134121504.db2.gz JQXVIZQWZINGKG-PWSUYJOCSA-N 2 1 246.345 2.446 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CC(F)(F)C2)CC[NH+]1C ZINC000336185997 134121505 /nfs/dbraw/zinc/12/15/05/134121505.db2.gz JQXVIZQWZINGKG-PWSUYJOCSA-N 2 1 246.345 2.446 20 0 BEADMP C[C@H]1C[C@@H]1C[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449777985 202031841 /nfs/dbraw/zinc/03/18/41/202031841.db2.gz AMGRYVQPHISKNE-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1C[C@@H]1C[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449777985 202031843 /nfs/dbraw/zinc/03/18/43/202031843.db2.gz AMGRYVQPHISKNE-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)C1(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422918551 192506359 /nfs/dbraw/zinc/50/63/59/192506359.db2.gz HNLQOBKZHJEKOU-NEPJUHHUSA-N 2 1 210.365 2.010 20 0 BEADMP CSCCCCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423049089 192551985 /nfs/dbraw/zinc/55/19/85/192551985.db2.gz IVVXBFMYAZZTCX-NEPJUHHUSA-N 2 1 230.421 2.107 20 0 BEADMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@H]1c1cn[nH]c1 ZINC000639779058 356725879 /nfs/dbraw/zinc/72/58/79/356725879.db2.gz WYRWRDBXFUZIOY-KGLIPLIRSA-N 2 1 248.374 2.031 20 0 BEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1cn[nH]c1 ZINC000639779058 356725880 /nfs/dbraw/zinc/72/58/80/356725880.db2.gz WYRWRDBXFUZIOY-KGLIPLIRSA-N 2 1 248.374 2.031 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1cn[nH]c1 ZINC000639779058 356725882 /nfs/dbraw/zinc/72/58/82/356725882.db2.gz WYRWRDBXFUZIOY-KGLIPLIRSA-N 2 1 248.374 2.031 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639779058 356725884 /nfs/dbraw/zinc/72/58/84/356725884.db2.gz WYRWRDBXFUZIOY-KGLIPLIRSA-N 2 1 248.374 2.031 20 0 BEADMP CCC(=O)CCC[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000450467073 202175580 /nfs/dbraw/zinc/17/55/80/202175580.db2.gz KHULMFFBGCUZJR-QWHCGFSZSA-N 2 1 240.391 2.160 20 0 BEADMP CCCCOCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623383434 356907307 /nfs/dbraw/zinc/90/73/07/356907307.db2.gz UHLYAEYHBUCAFG-CYBMUJFWSA-N 2 1 242.407 2.266 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCOC(C)(C)C)CC1(C)C ZINC000623385380 356910160 /nfs/dbraw/zinc/91/01/60/356910160.db2.gz HVORWHQQQQXMKB-LBPRGKRZSA-N 2 1 242.407 2.264 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](COC)CC(C)C)CC1 ZINC000359521415 356890537 /nfs/dbraw/zinc/89/05/37/356890537.db2.gz CXZGTHGIHBSGPT-AWEZNQCLSA-N 2 1 242.407 2.121 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCCO2)CC1(C)C ZINC000623377437 356896758 /nfs/dbraw/zinc/89/67/58/356896758.db2.gz ZAARRMJNQDBTMJ-CHWSQXEVSA-N 2 1 240.391 2.018 20 0 BEADMP CCCCOCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000119592278 357029261 /nfs/dbraw/zinc/02/92/61/357029261.db2.gz SLKJOVXCXFVEHJ-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CC(C)C[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000373107394 357118078 /nfs/dbraw/zinc/11/80/78/357118078.db2.gz SCNGZVWZYPGZBR-GFCCVEGCSA-N 2 1 221.348 2.256 20 0 BEADMP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)F)[C@H](C)C1 ZINC000631659596 357189972 /nfs/dbraw/zinc/18/99/72/357189972.db2.gz RZNPZROMJYUSDJ-GHMZBOCLSA-N 2 1 216.344 2.054 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)F)[C@H](C)C1 ZINC000631659596 357189976 /nfs/dbraw/zinc/18/99/76/357189976.db2.gz RZNPZROMJYUSDJ-GHMZBOCLSA-N 2 1 216.344 2.054 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC000393802922 357300045 /nfs/dbraw/zinc/30/00/45/357300045.db2.gz UPCRDYUVFNVJHH-AAEUAGOBSA-N 2 1 224.392 2.352 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000356849532 538819696 /nfs/dbraw/zinc/81/96/96/538819696.db2.gz PSLANNGPNUUWMM-BFHYXJOUSA-N 2 1 242.407 2.121 20 0 BEADMP COC1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000130100201 357318555 /nfs/dbraw/zinc/31/85/55/357318555.db2.gz XKDSCBMZPWYJES-RJZJGCCBSA-N 2 1 240.391 2.016 20 0 BEADMP COC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000130100201 357318557 /nfs/dbraw/zinc/31/85/57/357318557.db2.gz XKDSCBMZPWYJES-RJZJGCCBSA-N 2 1 240.391 2.016 20 0 BEADMP COc1cccc2c1CCC[C@H]2[NH2+][C@H](C)C[NH3+] ZINC000582540671 357338428 /nfs/dbraw/zinc/33/84/28/357338428.db2.gz ROBUFPXRIXSAQM-ZWNOBZJWSA-N 2 1 234.343 2.009 20 0 BEADMP CC[C@@H]1CCC[C@@H](C[N@@H+](C)CCC[NH3+])C1 ZINC000394504799 357363267 /nfs/dbraw/zinc/36/32/67/357363267.db2.gz FCASSFUWLJELPC-CHWSQXEVSA-N 2 1 212.381 2.483 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1(C)CC1 ZINC000582814048 357402570 /nfs/dbraw/zinc/40/25/70/357402570.db2.gz YFWMPOXCYRRNAI-UHFFFAOYSA-N 2 1 221.348 2.314 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)CC1(C)CC1 ZINC000582814048 357402571 /nfs/dbraw/zinc/40/25/71/357402571.db2.gz YFWMPOXCYRRNAI-UHFFFAOYSA-N 2 1 221.348 2.314 20 0 BEADMP Cc1cnccc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000395370585 357434282 /nfs/dbraw/zinc/43/42/82/357434282.db2.gz NEMXQKUTPCFWBQ-AWEZNQCLSA-N 2 1 233.359 2.093 20 0 BEADMP CCCOc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000583191441 357515905 /nfs/dbraw/zinc/51/59/05/357515905.db2.gz BUGCQGGIBWAGBG-UHFFFAOYSA-N 2 1 248.370 2.446 20 0 BEADMP CC(C)[NH2+]C1CC[NH+](C[C@H]2CC[C@H](C)O2)CC1 ZINC000188545893 357560533 /nfs/dbraw/zinc/56/05/33/357560533.db2.gz QVORCHNMOLNRGF-GXTWGEPZSA-N 2 1 240.391 2.016 20 0 BEADMP CCc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)nc(C)[nH+]1 ZINC000158462607 538862088 /nfs/dbraw/zinc/86/20/88/538862088.db2.gz OCFSOXIRBVNIOY-ZWNOBZJWSA-N 2 1 248.374 2.242 20 0 BEADMP CCc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc(C)[nH+]1 ZINC000158462607 538862092 /nfs/dbraw/zinc/86/20/92/538862092.db2.gz OCFSOXIRBVNIOY-ZWNOBZJWSA-N 2 1 248.374 2.242 20 0 BEADMP C([NH2+]C(C1CC1)C1CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649100 358084980 /nfs/dbraw/zinc/08/49/80/358084980.db2.gz CYYXPSSBTUHCMK-LLVKDONJSA-N 2 1 234.387 2.249 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000180230524 366397168 /nfs/dbraw/zinc/39/71/68/366397168.db2.gz BSTWGJPXWSPUKG-QWHCGFSZSA-N 2 1 212.381 2.306 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1F ZINC000228337026 358373655 /nfs/dbraw/zinc/37/36/55/358373655.db2.gz ASAXKAWYBSHHAV-DGCLKSJQSA-N 2 1 236.334 2.446 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1F ZINC000228337026 358373657 /nfs/dbraw/zinc/37/36/57/358373657.db2.gz ASAXKAWYBSHHAV-DGCLKSJQSA-N 2 1 236.334 2.446 20 0 BEADMP CSCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173882867 134278316 /nfs/dbraw/zinc/27/83/16/134278316.db2.gz NZZOJRJDINFNLV-ZDUSSCGKSA-N 2 1 242.432 2.157 20 0 BEADMP CCc1nc(NCCC[NH+]2CCCC2)cc(C)[nH+]1 ZINC000310680333 358445379 /nfs/dbraw/zinc/44/53/79/358445379.db2.gz RNJINFFMFMATLI-UHFFFAOYSA-N 2 1 248.374 2.245 20 0 BEADMP C1CC1C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000130153104 358610342 /nfs/dbraw/zinc/61/03/42/358610342.db2.gz WPRNTUTZTOAJER-UONOGXRCSA-N 2 1 234.387 2.391 20 0 BEADMP CCCCOCC[N@@H+](CCC)C1CC[NH2+]CC1 ZINC000049264102 358678495 /nfs/dbraw/zinc/67/84/95/358678495.db2.gz QGYURZPXXSYOGN-UHFFFAOYSA-N 2 1 242.407 2.267 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000132416313 491135842 /nfs/dbraw/zinc/13/58/42/491135842.db2.gz XAYYSTZSAJEYPP-IACUBPJLSA-N 2 1 222.376 2.391 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc(O)c1 ZINC000133338805 358751345 /nfs/dbraw/zinc/75/13/45/358751345.db2.gz LMWZSDMKWQEDNW-CQSZACIVSA-N 2 1 236.359 2.197 20 0 BEADMP C[NH+](C)CCC[NH2+]Cc1coc2ccccc12 ZINC000135030709 358816976 /nfs/dbraw/zinc/81/69/76/358816976.db2.gz HLWHVYNUFAIYGJ-UHFFFAOYSA-N 2 1 232.327 2.474 20 0 BEADMP CCCCOc1ccc(C[NH2+][C@@H](C)C[NH3+])cc1 ZINC000135256140 358827111 /nfs/dbraw/zinc/82/71/11/358827111.db2.gz VFIJKKXQZLQPJU-LBPRGKRZSA-N 2 1 236.359 2.302 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCC2CC2)CC1(C)C ZINC000623432693 358946012 /nfs/dbraw/zinc/94/60/12/358946012.db2.gz FTEWZKWWZIRVHS-LBPRGKRZSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccco1 ZINC000423319141 192705069 /nfs/dbraw/zinc/70/50/69/192705069.db2.gz CYZRKZDDAGXLLQ-DGCLKSJQSA-N 2 1 222.332 2.320 20 0 BEADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000247136594 359196693 /nfs/dbraw/zinc/19/66/93/359196693.db2.gz QPQOCXBSLAJZDJ-RWMBFGLXSA-N 2 1 242.407 2.120 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CC=CCC1 ZINC000247233835 359203681 /nfs/dbraw/zinc/20/36/81/359203681.db2.gz XEADMHTWLUHBPI-AAVRWANBSA-N 2 1 222.376 2.413 20 0 BEADMP Cc1ncc(C[N@H+]2CCCC3(CC3)CC2)n1C ZINC000628480211 359318316 /nfs/dbraw/zinc/31/83/16/359318316.db2.gz DZBWZCVNGJUYES-UHFFFAOYSA-N 2 1 233.359 2.495 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)[C@H]1C ZINC000423505282 192796459 /nfs/dbraw/zinc/79/64/59/192796459.db2.gz OHAMOFNXIOGIJN-RSLMWUCJSA-N 2 1 210.365 2.138 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCS[C@H](C)CC1 ZINC000379530568 359536421 /nfs/dbraw/zinc/53/64/21/359536421.db2.gz CJCXOFFQNDMWDE-VXGBXAGGSA-N 2 1 230.421 2.187 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCS[C@H](C)CC1 ZINC000379530568 359536424 /nfs/dbraw/zinc/53/64/24/359536424.db2.gz CJCXOFFQNDMWDE-VXGBXAGGSA-N 2 1 230.421 2.187 20 0 BEADMP FCC1(NC2CC[NH+](C3CC3)CC2)CCC1 ZINC000578360382 366538609 /nfs/dbraw/zinc/53/86/09/366538609.db2.gz GWUZLMWUCJKUTQ-UHFFFAOYSA-N 2 1 226.339 2.095 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCC23CC3)C1 ZINC000578454354 366575063 /nfs/dbraw/zinc/57/50/63/366575063.db2.gz XLDZAYNGWDHVOO-QWHCGFSZSA-N 2 1 222.376 2.251 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451118108 202356649 /nfs/dbraw/zinc/35/66/49/202356649.db2.gz WZNRHZLUTRGKBA-CYBMUJFWSA-N 2 1 239.338 2.406 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@](C)(F)C1 ZINC000451118108 202356651 /nfs/dbraw/zinc/35/66/51/202356651.db2.gz WZNRHZLUTRGKBA-CYBMUJFWSA-N 2 1 239.338 2.406 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@](C)(COC)C1 ZINC000451202091 202378556 /nfs/dbraw/zinc/37/85/56/202378556.db2.gz LWZHZFUGPHRKBL-CQSZACIVSA-N 2 1 242.407 2.077 20 0 BEADMP CCc1cc(N[C@@H](C)CC[NH+](C)C)nc(C)[nH+]1 ZINC000088760300 359977580 /nfs/dbraw/zinc/97/75/80/359977580.db2.gz KZMCFFAHFKKJPH-JTQLQIEISA-N 2 1 236.363 2.100 20 0 BEADMP COc1cccc(C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)c1 ZINC000089749231 360036951 /nfs/dbraw/zinc/03/69/51/360036951.db2.gz ZEYNRECJGJOTHO-ZDUSSCGKSA-N 2 1 248.370 2.127 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]C2(C)CCC2)CC1(C)C ZINC000623472375 360056924 /nfs/dbraw/zinc/05/69/24/360056924.db2.gz NNMJJXHXTMNBON-LLVKDONJSA-N 2 1 210.365 2.391 20 0 BEADMP Cc1ncccc1CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253877 360159540 /nfs/dbraw/zinc/15/95/40/360159540.db2.gz NOBYXWKNHJFGIT-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP Cc1ncccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092253877 360159545 /nfs/dbraw/zinc/15/95/45/360159545.db2.gz NOBYXWKNHJFGIT-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP Cc1ncccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092253877 360159548 /nfs/dbraw/zinc/15/95/48/360159548.db2.gz NOBYXWKNHJFGIT-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP Cc1ncccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253877 360159553 /nfs/dbraw/zinc/15/95/53/360159553.db2.gz NOBYXWKNHJFGIT-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP Cc1ncccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253877 360159555 /nfs/dbraw/zinc/15/95/55/360159555.db2.gz NOBYXWKNHJFGIT-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP CC1(C)CCC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000149299697 360615376 /nfs/dbraw/zinc/61/53/76/360615376.db2.gz ADNXMSXBNJLJIT-NEPJUHHUSA-N 2 1 210.365 2.297 20 0 BEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)Cc1cccs1 ZINC000629389851 361036614 /nfs/dbraw/zinc/03/66/14/361036614.db2.gz CDZXWQHMQYDJNF-WCFLWFBJSA-N 2 1 238.400 2.409 20 0 BEADMP Cc1nc(C(C)C)ccc1C[NH2+]CC1([NH3+])CCC1 ZINC000629519302 361120879 /nfs/dbraw/zinc/12/08/79/361120879.db2.gz ONXQRKMBBRPBHN-UHFFFAOYSA-N 2 1 247.386 2.484 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H]2C2CCC2)CC1 ZINC000424336002 200918165 /nfs/dbraw/zinc/91/81/65/200918165.db2.gz XIMCUBJEZBPYDB-UONOGXRCSA-N 2 1 222.376 2.249 20 0 BEADMP CCSCC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000158584815 361205142 /nfs/dbraw/zinc/20/51/42/361205142.db2.gz LQPVYOPCANNBLS-LLVKDONJSA-N 2 1 218.410 2.045 20 0 BEADMP CC1(C)CC(C[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000629534005 361163280 /nfs/dbraw/zinc/16/32/80/361163280.db2.gz HVESJYFKBNBHOH-STQMWFEESA-N 2 1 222.376 2.106 20 0 BEADMP CC1(C)CC(C[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000629534005 361163283 /nfs/dbraw/zinc/16/32/83/361163283.db2.gz HVESJYFKBNBHOH-STQMWFEESA-N 2 1 222.376 2.106 20 0 BEADMP COC(C)(C)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429541356 201112016 /nfs/dbraw/zinc/11/20/16/201112016.db2.gz OPLJBKUXDNJOOT-CYBMUJFWSA-N 2 1 242.407 2.218 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2ccccc2)CCCCC1 ZINC000040409766 181332722 /nfs/dbraw/zinc/33/27/22/181332722.db2.gz GZWQXEWAJBCPOR-UHFFFAOYSA-N 2 1 218.344 2.438 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2cccc3cccnc32)CCC1 ZINC000342135799 181332820 /nfs/dbraw/zinc/33/28/20/181332820.db2.gz LLMIFOURPGSMCN-UHFFFAOYSA-N 2 1 241.338 2.206 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2cccs2)CCCCC1 ZINC000040397622 181331984 /nfs/dbraw/zinc/33/19/84/181331984.db2.gz CIHUJWCKCWFOPX-UHFFFAOYSA-N 2 1 224.373 2.499 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC23CCC3)C[NH2+]1 ZINC000629538809 361403348 /nfs/dbraw/zinc/40/33/48/361403348.db2.gz LGZYTGISQNGURM-FRRDWIJNSA-N 2 1 222.376 2.439 20 0 BEADMP CCSCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429555280 201114582 /nfs/dbraw/zinc/11/45/82/201114582.db2.gz VYFHVYAVIWGZPQ-GFCCVEGCSA-N 2 1 230.421 2.156 20 0 BEADMP Cc1cncc(C[NH2+][C@H](C[NH3+])C2CCCCC2)c1 ZINC000629534770 361408374 /nfs/dbraw/zinc/40/83/74/361408374.db2.gz BCIXBHZARWNHOR-OAHLLOKOSA-N 2 1 247.386 2.387 20 0 BEADMP CC1(C)CCC(C)(C)[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000629544860 361424252 /nfs/dbraw/zinc/42/42/52/361424252.db2.gz JVIPJVRLEJIMIL-LBPRGKRZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000629547904 361432068 /nfs/dbraw/zinc/43/20/68/361432068.db2.gz WGJJLVJVJQSCMQ-APHBMKBZSA-N 2 1 244.382 2.274 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]C2CCC3(CC3)CC2)C[NH2+]1 ZINC000629542617 361419319 /nfs/dbraw/zinc/41/93/19/361419319.db2.gz HCVFLMLLGOYKLK-WCQYABFASA-N 2 1 222.376 2.439 20 0 BEADMP CC(C)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563982 361458641 /nfs/dbraw/zinc/45/86/41/361458641.db2.gz IUOSXGIKQBVYGU-VHSXEESVSA-N 2 1 238.297 2.102 20 0 BEADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCOCC[NH3+] ZINC000629579296 361464491 /nfs/dbraw/zinc/46/44/91/361464491.db2.gz QUFZGMNSCYVKFH-AWEZNQCLSA-N 2 1 236.359 2.045 20 0 BEADMP CC[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562474 361455776 /nfs/dbraw/zinc/45/57/76/361455776.db2.gz NJTGPKHQWSSJMX-AEJSXWLSSA-N 2 1 238.297 2.244 20 0 BEADMP CCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629567154 361457361 /nfs/dbraw/zinc/45/73/61/361457361.db2.gz WYTMXXXWRGYDPO-VHSXEESVSA-N 2 1 238.297 2.246 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]2C(C)C)C1 ZINC000309966763 491158627 /nfs/dbraw/zinc/15/86/27/491158627.db2.gz NVEILGGYULBHNL-HZSPNIEDSA-N 2 1 224.392 2.352 20 0 BEADMP CCC[C@@H](C)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629665242 361595856 /nfs/dbraw/zinc/59/58/56/361595856.db2.gz LGQIKVPDNBPQCH-MCIONIFRSA-N 2 1 224.392 2.354 20 0 BEADMP CC[N@@H+](CCC(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000435626917 201279213 /nfs/dbraw/zinc/27/92/13/201279213.db2.gz LZSOHVMLLSXHLX-SNVBAGLBSA-N 2 1 238.297 2.403 20 0 BEADMP C[NH2+]CCC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000435867745 201290644 /nfs/dbraw/zinc/29/06/44/201290644.db2.gz AAZSILRYADBZHZ-UHFFFAOYSA-N 2 1 236.334 2.400 20 0 BEADMP C[NH2+]CCC[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000435867745 201290648 /nfs/dbraw/zinc/29/06/48/201290648.db2.gz AAZSILRYADBZHZ-UHFFFAOYSA-N 2 1 236.334 2.400 20 0 BEADMP C[NH2+]CCC[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000435878766 201293646 /nfs/dbraw/zinc/29/36/46/201293646.db2.gz FUUWPMKIGYSZES-LBPRGKRZSA-N 2 1 218.344 2.043 20 0 BEADMP C[NH2+]CCC[N@@H+]1CCSC2(CCCCC2)C1 ZINC000435881919 201295436 /nfs/dbraw/zinc/29/54/36/201295436.db2.gz WOBJLNOVROIPIC-UHFFFAOYSA-N 2 1 242.432 2.348 20 0 BEADMP C[NH2+]CCC[N@H+]1CCSC2(CCCCC2)C1 ZINC000435881919 201295440 /nfs/dbraw/zinc/29/54/40/201295440.db2.gz WOBJLNOVROIPIC-UHFFFAOYSA-N 2 1 242.432 2.348 20 0 BEADMP CC(C)[C@H](C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156110854 201399146 /nfs/dbraw/zinc/39/91/46/201399146.db2.gz DPVZYFJCQRJZFN-HZSPNIEDSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC2(C)C)C[NH2+]1 ZINC000398955071 364280357 /nfs/dbraw/zinc/28/03/57/364280357.db2.gz HEKRGNVBYBPGQN-GRYCIOLGSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC2(C)C)C[NH2+]1 ZINC000398955072 364280724 /nfs/dbraw/zinc/28/07/24/364280724.db2.gz HEKRGNVBYBPGQN-IJLUTSLNSA-N 2 1 210.365 2.295 20 0 BEADMP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000399029177 364727916 /nfs/dbraw/zinc/72/79/16/364727916.db2.gz IPULBXDGYWRREQ-RNJOBUHISA-N 2 1 210.365 2.295 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2csc(C)c2)C1 ZINC000296589139 364784610 /nfs/dbraw/zinc/78/46/10/364784610.db2.gz XJHHCAXQJUQCMU-LBPRGKRZSA-N 2 1 238.400 2.488 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2csc(C)c2)C1 ZINC000296589132 364784941 /nfs/dbraw/zinc/78/49/41/364784941.db2.gz XJHHCAXQJUQCMU-GFCCVEGCSA-N 2 1 238.400 2.488 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cncs1 ZINC000573530072 364855279 /nfs/dbraw/zinc/85/52/79/364855279.db2.gz QPTRFJOIXBEKNR-DTWKUNHWSA-N 2 1 248.355 2.074 20 0 BEADMP C[NH+](C)[C@H]1CCC[N@@H+](CC2(C)CC2)CC1 ZINC000573541844 364855982 /nfs/dbraw/zinc/85/59/82/364855982.db2.gz MXBDXWRLIWFBKR-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000168493516 364941094 /nfs/dbraw/zinc/94/10/94/364941094.db2.gz NJYPBLKGXSXSQP-MNOVXSKESA-N 2 1 238.400 2.480 20 0 BEADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000574440834 365062074 /nfs/dbraw/zinc/06/20/74/365062074.db2.gz HETHLGBCUGEBAS-LBPRGKRZSA-N 2 1 236.359 2.431 20 0 BEADMP [NH3+][C@H](C[NH2+][C@H]1CCCNc2ccccc21)C1CC1 ZINC000579581004 366886960 /nfs/dbraw/zinc/88/69/60/366886960.db2.gz PAKQTYIDXMFCIQ-HIFRSBDPSA-N 2 1 245.370 2.260 20 0 BEADMP CC(C)[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C1CC1 ZINC000399083601 365400641 /nfs/dbraw/zinc/40/06/41/365400641.db2.gz SXRXRLSJNMHFHR-RAIGVLPGSA-N 2 1 210.365 2.151 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCn2ccnc2)C1 ZINC000182622055 366923159 /nfs/dbraw/zinc/92/31/59/366923159.db2.gz FNRWOTTUJNRBOV-BETUJISGSA-N 2 1 221.348 2.251 20 0 BEADMP C[C@@H]([NH2+]CC1(C2CC2)CC1)c1c[nH+]ccc1N ZINC000579701770 366983889 /nfs/dbraw/zinc/98/38/89/366983889.db2.gz IKAXYRYCSOCBNY-SNVBAGLBSA-N 2 1 231.343 2.335 20 0 BEADMP CC1(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000579958581 367103839 /nfs/dbraw/zinc/10/38/39/367103839.db2.gz KMBWOKDXWBCQMK-OLZOCXBDSA-N 2 1 222.376 2.108 20 0 BEADMP [NH3+]CC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000580827737 367177749 /nfs/dbraw/zinc/17/77/49/367177749.db2.gz IZZZFXKKRHTLID-CYBMUJFWSA-N 2 1 204.317 2.076 20 0 BEADMP C[NH2+]CCSCC[N@@H+](C)Cc1ccccc1 ZINC000581189505 367288726 /nfs/dbraw/zinc/28/87/26/367288726.db2.gz TWOYDTOJZLEIRC-UHFFFAOYSA-N 2 1 238.400 2.071 20 0 BEADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H]1C ZINC000380806861 367306186 /nfs/dbraw/zinc/30/61/86/367306186.db2.gz QNEYGBMOYSWATM-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000381390373 367392617 /nfs/dbraw/zinc/39/26/17/367392617.db2.gz NYXUNEYPERYAFS-MGPQQGTHSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000381390371 367393122 /nfs/dbraw/zinc/39/31/22/367393122.db2.gz NYXUNEYPERYAFS-MCIONIFRSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H](C[NH2+]CC1(F)CC1)C[NH+]1CCCCC1 ZINC000381460824 367409330 /nfs/dbraw/zinc/40/93/30/367409330.db2.gz KZZQMHBSWJHBND-GFCCVEGCSA-N 2 1 228.355 2.200 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)C2CCC2)C1 ZINC000381465734 367410710 /nfs/dbraw/zinc/41/07/10/367410710.db2.gz LDDZZYCVWBMIAG-OLZOCXBDSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)C2CCC2)C1 ZINC000381465736 367410838 /nfs/dbraw/zinc/41/08/38/367410838.db2.gz LDDZZYCVWBMIAG-QWHCGFSZSA-N 2 1 224.392 2.495 20 0 BEADMP COc1ccccc1[C@@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000382563367 367541270 /nfs/dbraw/zinc/54/12/70/367541270.db2.gz ZPZNMPZCMZMXFL-GFCCVEGCSA-N 2 1 248.370 2.488 20 0 BEADMP CC(C)OCCC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000382801172 367559133 /nfs/dbraw/zinc/55/91/33/367559133.db2.gz KMKNUFGOAPBHKU-CYBMUJFWSA-N 2 1 230.396 2.107 20 0 BEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000566009783 325983661 /nfs/dbraw/zinc/98/36/61/325983661.db2.gz LPCWZMVINIWHGU-IGQOVBAYSA-N 3 1 241.423 2.013 20 0 BEADMP CC[C@@H]1[C@H](C)CC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000384106595 367672347 /nfs/dbraw/zinc/67/23/47/367672347.db2.gz DRPMDANYDMCDFE-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]1[C@@H](C)CC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000384106603 367672459 /nfs/dbraw/zinc/67/24/59/367672459.db2.gz DRPMDANYDMCDFE-RWMBFGLXSA-N 2 1 210.365 2.106 20 0 BEADMP C[N@@H+](C/C=C/c1ccccc1)C1CC([NH3+])C1 ZINC000384875827 367746851 /nfs/dbraw/zinc/74/68/51/367746851.db2.gz PQFNGTMUXYLIIP-VMPITWQZSA-N 2 1 216.328 2.121 20 0 BEADMP C[N@@H+](Cc1cccc(C2CC2)c1)C1CC([NH3+])C1 ZINC000384886333 367750643 /nfs/dbraw/zinc/75/06/43/367750643.db2.gz SEEAWCSGAXVWNY-UHFFFAOYSA-N 2 1 230.355 2.486 20 0 BEADMP CC(C)Oc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1 ZINC000385250784 367813527 /nfs/dbraw/zinc/81/35/27/367813527.db2.gz XAACNMWWROJDLU-UHFFFAOYSA-N 2 1 248.370 2.395 20 0 BEADMP C[C@@H]1[C@H](C)C[N@@H+](CCCc2cncn2C)[C@H]1C ZINC000581734854 367798310 /nfs/dbraw/zinc/79/83/10/367798310.db2.gz YVILPUWFWRHLLO-UPJWGTAASA-N 2 1 235.375 2.329 20 0 BEADMP CSCC1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000385352942 367821894 /nfs/dbraw/zinc/82/18/94/367821894.db2.gz FUHWCGCKEOBAHF-WXRRBKDZSA-N 2 1 242.432 2.250 20 0 BEADMP CC[N@@H+](CCC1CC1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000385489140 367835841 /nfs/dbraw/zinc/83/58/41/367835841.db2.gz DXBFFHYIWKLTDL-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]([N@@H+](C)CC[C@H]1CC[NH2+]C1)C1(C)CC1 ZINC000385524030 367840291 /nfs/dbraw/zinc/84/02/91/367840291.db2.gz WANLMNUJDXXFEQ-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]([N@@H+](C)CC[C@@H]1CC[NH2+]C1)C1(C)CC1 ZINC000385524021 367841005 /nfs/dbraw/zinc/84/10/05/367841005.db2.gz WANLMNUJDXXFEQ-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]([NH2+]CCC(C)(F)F)[C@H]1CCCC[NH2+]1 ZINC000386047410 367903624 /nfs/dbraw/zinc/90/36/24/367903624.db2.gz URHOPMCPHCTSSN-NXEZZACHSA-N 2 1 220.307 2.152 20 0 BEADMP CSC1(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000386539642 367989479 /nfs/dbraw/zinc/98/94/79/367989479.db2.gz CXSUGOFMJSYPLE-GHMZBOCLSA-N 2 1 228.405 2.002 20 0 BEADMP C[C@H]([NH2+][C@H]1CCCSC1)[C@@H]1CCCC[NH2+]1 ZINC000386548918 367991018 /nfs/dbraw/zinc/99/10/18/367991018.db2.gz GMCNBOHMFLGPMO-SRVKXCTJSA-N 2 1 228.405 2.002 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCCCS1)[C@@H]1CCCC[NH2+]1 ZINC000386578527 367994887 /nfs/dbraw/zinc/99/48/87/367994887.db2.gz NXZCDPAUSGAECU-XQQFMLRXSA-N 2 1 242.432 2.392 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCCCS1)[C@H]1CCCC[NH2+]1 ZINC000386578528 367995480 /nfs/dbraw/zinc/99/54/80/367995480.db2.gz NXZCDPAUSGAECU-YNEHKIRRSA-N 2 1 242.432 2.392 20 0 BEADMP CC(C)SCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386589773 367998651 /nfs/dbraw/zinc/99/86/51/367998651.db2.gz QZAMCJWUKYGCJW-VXGBXAGGSA-N 2 1 230.421 2.248 20 0 BEADMP CC(C)[N@H+](CC(F)F)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000387098868 368050608 /nfs/dbraw/zinc/05/06/08/368050608.db2.gz WTTHSWRWGOYQOD-GHMZBOCLSA-N 2 1 234.334 2.350 20 0 BEADMP CC(C)[N@@H+](CC(F)F)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000387098868 368050614 /nfs/dbraw/zinc/05/06/14/368050614.db2.gz WTTHSWRWGOYQOD-GHMZBOCLSA-N 2 1 234.334 2.350 20 0 BEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](C2CC2)C1 ZINC000582011244 368151644 /nfs/dbraw/zinc/15/16/44/368151644.db2.gz VBJMFNDPVVZURJ-ZDUSSCGKSA-N 2 1 233.359 2.085 20 0 BEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](C2CC2)C1 ZINC000582011244 368151651 /nfs/dbraw/zinc/15/16/51/368151651.db2.gz VBJMFNDPVVZURJ-ZDUSSCGKSA-N 2 1 233.359 2.085 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccs1 ZINC000069754223 368757451 /nfs/dbraw/zinc/75/74/51/368757451.db2.gz CCYWNUHIHIUHLI-UHFFFAOYSA-N 2 1 235.356 2.433 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccsc1 ZINC000069754249 368757832 /nfs/dbraw/zinc/75/78/32/368757832.db2.gz KVAXTGNGIJZXHJ-UHFFFAOYSA-N 2 1 235.356 2.433 20 0 BEADMP Cc1scc(C[NH2+]CCC[NH+](C)C)c1C ZINC000399903556 368912576 /nfs/dbraw/zinc/91/25/76/368912576.db2.gz BLJGYPVMKROMKR-UHFFFAOYSA-N 2 1 226.389 2.406 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c(C)n1 ZINC000631821612 368973097 /nfs/dbraw/zinc/97/30/97/368973097.db2.gz DGOPOYZBPSHHRH-IAQYHMDHSA-N 2 1 247.386 2.176 20 0 BEADMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000623657107 368997184 /nfs/dbraw/zinc/99/71/84/368997184.db2.gz JWUZLTPSELDXBW-CHWSQXEVSA-N 2 1 242.432 2.061 20 0 BEADMP CCn1cccc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000091025828 369004085 /nfs/dbraw/zinc/00/40/85/369004085.db2.gz NGTGRSDDOGIJQL-CQSZACIVSA-N 2 1 249.402 2.328 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(C)n1 ZINC000631824193 368987201 /nfs/dbraw/zinc/98/72/01/368987201.db2.gz YJQASIAHMPZSQK-OCCSQVGLSA-N 2 1 247.386 2.176 20 0 BEADMP CCC1([NH2+]CCc2c[nH+]cn2C)CCCC1 ZINC000459528434 203295030 /nfs/dbraw/zinc/29/50/30/203295030.db2.gz ZETADBCQDZVDJN-UHFFFAOYSA-N 2 1 221.348 2.275 20 0 BEADMP C[C@H](Cc1ccsc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400483030 369350779 /nfs/dbraw/zinc/35/07/79/369350779.db2.gz WPTAGDQTUUEHOP-MDZLAQPJSA-N 2 1 238.400 2.409 20 0 BEADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623676813 369367593 /nfs/dbraw/zinc/36/75/93/369367593.db2.gz FZZJBFKVNLRFLK-BZPMIXESSA-N 2 1 240.391 2.016 20 0 BEADMP COc1cccc(CCC[N@H+]2C[C@@H](N)C[C@@H]2C)c1 ZINC000631858610 369443115 /nfs/dbraw/zinc/44/31/15/369443115.db2.gz BHAXWJPNJHOXKC-JSGCOSHPSA-N 2 1 248.370 2.049 20 0 BEADMP COc1cccc(CCC[N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000631858610 369443121 /nfs/dbraw/zinc/44/31/21/369443121.db2.gz BHAXWJPNJHOXKC-JSGCOSHPSA-N 2 1 248.370 2.049 20 0 BEADMP COc1cccc(CCC[N@H+]2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000631858610 369443126 /nfs/dbraw/zinc/44/31/26/369443126.db2.gz BHAXWJPNJHOXKC-JSGCOSHPSA-N 2 1 248.370 2.049 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459730294 203344055 /nfs/dbraw/zinc/34/40/55/203344055.db2.gz KDTKJUNAPPZDIW-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459730296 203345379 /nfs/dbraw/zinc/34/53/79/203345379.db2.gz KDTKJUNAPPZDIW-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459736647 203346461 /nfs/dbraw/zinc/34/64/61/203346461.db2.gz QEFSUWFEHVGBHT-STQMWFEESA-N 2 1 212.381 2.352 20 0 BEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000459779691 203365381 /nfs/dbraw/zinc/36/53/81/203365381.db2.gz LNDYZWCONYDWEF-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459795038 203373932 /nfs/dbraw/zinc/37/39/32/203373932.db2.gz XGVGBIPVMITCNQ-YIYPIFLZSA-N 2 1 222.376 2.249 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H]2CCSC2)C1 ZINC000459794362 203370156 /nfs/dbraw/zinc/37/01/56/203370156.db2.gz UMBJWLKKCMPLEN-OLZOCXBDSA-N 2 1 242.432 2.061 20 0 BEADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000166204599 203387325 /nfs/dbraw/zinc/38/73/25/203387325.db2.gz VVHQPKDXKBUNBW-GVXVVHGQSA-N 2 1 212.381 2.351 20 0 BEADMP FC1(F)C[C@@H]1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000621377188 370318759 /nfs/dbraw/zinc/31/87/59/370318759.db2.gz RLPVRLHYEACPML-QJPTWQEYSA-N 2 1 244.329 2.248 20 0 BEADMP Cc1ccc(C[NH2+]C2CC(N(C)C)C2)cc1 ZINC000568239904 326332861 /nfs/dbraw/zinc/33/28/61/326332861.db2.gz VBUJUKGXVQIXJT-UHFFFAOYSA-N 2 1 218.344 2.177 20 0 BEADMP CC1CC(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000621771810 370514995 /nfs/dbraw/zinc/51/49/95/370514995.db2.gz NGKGNURXKTWFEF-KPFVRQRISA-N 2 1 210.365 2.105 20 0 BEADMP CC1CC(C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000621738568 370496102 /nfs/dbraw/zinc/49/61/02/370496102.db2.gz KHSKRZXHEALTGK-UHFFFAOYSA-N 2 1 222.376 2.249 20 0 BEADMP Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC000621775495 370522734 /nfs/dbraw/zinc/52/27/34/370522734.db2.gz QETDBNSPTGMRFC-YIONKMFJSA-N 2 1 245.370 2.105 20 0 BEADMP Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC000621775495 370522738 /nfs/dbraw/zinc/52/27/38/370522738.db2.gz QETDBNSPTGMRFC-YIONKMFJSA-N 2 1 245.370 2.105 20 0 BEADMP Cc1cc(C[NH2+][C@H](C[NH3+])C2CCCCC2)ccn1 ZINC000621776397 370524651 /nfs/dbraw/zinc/52/46/51/370524651.db2.gz KIMHGEKWZRWRCY-OAHLLOKOSA-N 2 1 247.386 2.387 20 0 BEADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)ccn1 ZINC000621776701 370526473 /nfs/dbraw/zinc/52/64/73/370526473.db2.gz SZWUBVAASGCCRL-KYOSRNDESA-N 2 1 247.386 2.195 20 0 BEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC000621784341 370535546 /nfs/dbraw/zinc/53/55/46/370535546.db2.gz NMHIZCRZBGGINZ-KHMAMNHCSA-N 2 1 234.387 2.236 20 0 BEADMP COCCC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120523 371321786 /nfs/dbraw/zinc/32/17/86/371321786.db2.gz BBUYNTLIEVKNJV-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)(C)C1 ZINC000162075670 371607987 /nfs/dbraw/zinc/60/79/87/371607987.db2.gz UPUJFSQYKDLGOM-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC(C)(C)C1 ZINC000162075670 371607991 /nfs/dbraw/zinc/60/79/91/371607991.db2.gz UPUJFSQYKDLGOM-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC(C)(C)C1 ZINC000162075670 371607997 /nfs/dbraw/zinc/60/79/97/371607997.db2.gz UPUJFSQYKDLGOM-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)F)CC1(C)C ZINC000631189967 372224721 /nfs/dbraw/zinc/22/47/21/372224721.db2.gz YLSZCVKBKQWAOU-SNVBAGLBSA-N 2 1 216.344 2.197 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)F)CC1(C)C ZINC000631189967 372224725 /nfs/dbraw/zinc/22/47/25/372224725.db2.gz YLSZCVKBKQWAOU-SNVBAGLBSA-N 2 1 216.344 2.197 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)[C@H](C)O1 ZINC000631218278 372242443 /nfs/dbraw/zinc/24/24/43/372242443.db2.gz MHSCYJOFIRUHJD-VOAKCMCISA-N 2 1 240.391 2.015 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)F)[C@H]2CCC[C@@H]21 ZINC000631665966 372489617 /nfs/dbraw/zinc/48/96/17/372489617.db2.gz ZWTNVFBMOAAQNR-WOPDTQHZSA-N 2 1 228.355 2.197 20 0 BEADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCC(F)(F)C1)C2 ZINC000631829876 372613490 /nfs/dbraw/zinc/61/34/90/372613490.db2.gz CLTHGTRRPQQNHL-SRVKXCTJSA-N 2 1 244.329 2.235 20 0 BEADMP C[C@@H]1C[N@H+](Cc2sccc2Cl)C[C@H]1C[NH3+] ZINC000631838242 372631129 /nfs/dbraw/zinc/63/11/29/372631129.db2.gz KXVFGOCPKIAJHS-RKDXNWHRSA-N 2 1 244.791 2.428 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2sccc2Cl)C[C@H]1C[NH3+] ZINC000631838242 372631134 /nfs/dbraw/zinc/63/11/34/372631134.db2.gz KXVFGOCPKIAJHS-RKDXNWHRSA-N 2 1 244.791 2.428 20 0 BEADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(C)s1 ZINC000631838398 372632509 /nfs/dbraw/zinc/63/25/09/372632509.db2.gz NPRBZFSBAVAZSQ-NOZJJQNGSA-N 2 1 238.400 2.392 20 0 BEADMP C[C@@H](c1cccc(F)c1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839372 372637045 /nfs/dbraw/zinc/63/70/45/372637045.db2.gz FPLXSOGBFIQVLW-NTZNESFSSA-N 2 1 236.334 2.413 20 0 BEADMP C[C@H](c1ccccc1F)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841634 372638350 /nfs/dbraw/zinc/63/83/50/372638350.db2.gz NKARUANFGWFBQI-IJLUTSLNSA-N 2 1 236.334 2.413 20 0 BEADMP C[C@H](c1ccccc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631843060 372641065 /nfs/dbraw/zinc/64/10/65/372641065.db2.gz IYTBBTLFGLFRGA-YRGRVCCFSA-N 2 1 218.344 2.274 20 0 BEADMP C[C@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000631844061 372643122 /nfs/dbraw/zinc/64/31/22/372643122.db2.gz UYGQQEXXWVPTRX-CMPLNLGQSA-N 2 1 238.762 2.367 20 0 BEADMP FCCCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890974 372675390 /nfs/dbraw/zinc/67/53/90/372675390.db2.gz VGVIGWUQMNCDHD-OLZOCXBDSA-N 2 1 228.355 2.200 20 0 BEADMP FCCCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890974 372675394 /nfs/dbraw/zinc/67/53/94/372675394.db2.gz VGVIGWUQMNCDHD-OLZOCXBDSA-N 2 1 228.355 2.200 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631884990 372682069 /nfs/dbraw/zinc/68/20/69/372682069.db2.gz RKRRVSKXYSJTBB-QWHCGFSZSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)=CCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890288 372686825 /nfs/dbraw/zinc/68/68/25/372686825.db2.gz OIXJFNMBBZNVGT-ZIAGYGMSSA-N 2 1 222.376 2.417 20 0 BEADMP CC(C)=CCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890288 372686831 /nfs/dbraw/zinc/68/68/31/372686831.db2.gz OIXJFNMBBZNVGT-ZIAGYGMSSA-N 2 1 222.376 2.417 20 0 BEADMP C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)C1CCC1 ZINC000631890470 372687111 /nfs/dbraw/zinc/68/71/11/372687111.db2.gz PTLFTJKFNCIUHT-KBPBESRZSA-N 2 1 222.376 2.251 20 0 BEADMP C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)C1CCC1 ZINC000631890470 372687113 /nfs/dbraw/zinc/68/71/13/372687113.db2.gz PTLFTJKFNCIUHT-KBPBESRZSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@H](C[NH3+])[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000414921651 205784920 /nfs/dbraw/zinc/78/49/20/205784920.db2.gz BAHZWNBVPNOWSQ-GFCCVEGCSA-N 2 1 241.338 2.185 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2C)CC1 ZINC000070825957 374195259 /nfs/dbraw/zinc/19/52/59/374195259.db2.gz PDAAMUVXVTZONC-YPMHNXCESA-N 2 1 210.365 2.249 20 0 BEADMP CCOCCC[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352512042 170372529 /nfs/dbraw/zinc/37/25/29/170372529.db2.gz VIIWBWCGAYCDMI-UHFFFAOYSA-N 2 1 242.407 2.254 20 0 BEADMP OCCC[C@@H](NCc1c[nH]cn1)c1ccccc1 ZINC000077466835 183062610 /nfs/dbraw/zinc/06/26/10/183062610.db2.gz RBWVQLYPYDXANC-CQSZACIVSA-N 2 1 245.326 2.013 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H](C)C(C)C ZINC000053376731 169123465 /nfs/dbraw/zinc/12/34/65/169123465.db2.gz IWADCNWNPIEDFH-GFCCVEGCSA-N 2 1 200.370 2.352 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)C(C)C ZINC000053376731 169123468 /nfs/dbraw/zinc/12/34/68/169123468.db2.gz IWADCNWNPIEDFH-GFCCVEGCSA-N 2 1 200.370 2.352 20 0 BEADMP Oc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252673273 183291293 /nfs/dbraw/zinc/29/12/93/183291293.db2.gz IDYZSKAPXKDQTI-KBPBESRZSA-N 2 1 246.354 2.109 20 0 BEADMP Oc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252673273 183291296 /nfs/dbraw/zinc/29/12/96/183291296.db2.gz IDYZSKAPXKDQTI-KBPBESRZSA-N 2 1 246.354 2.109 20 0 BEADMP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2F)CC1 ZINC000340525038 169190442 /nfs/dbraw/zinc/19/04/42/169190442.db2.gz DMRJIJGSLQXOBW-CHWSQXEVSA-N 2 1 228.355 2.341 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCCC1 ZINC000309028588 169200259 /nfs/dbraw/zinc/20/02/59/169200259.db2.gz CFMHXIGZPGRSMU-ZDUSSCGKSA-N 2 1 210.365 2.393 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCCC1 ZINC000309028588 169200260 /nfs/dbraw/zinc/20/02/60/169200260.db2.gz CFMHXIGZPGRSMU-ZDUSSCGKSA-N 2 1 210.365 2.393 20 0 BEADMP c1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)ccn1 ZINC000004238044 183340156 /nfs/dbraw/zinc/34/01/56/183340156.db2.gz XNBDFSLVADLPGJ-UHFFFAOYSA-N 2 1 245.370 2.047 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C(C)(C)OC)C1 ZINC000340197242 169206193 /nfs/dbraw/zinc/20/61/93/169206193.db2.gz DRSAVNJZBYNLOT-OLZOCXBDSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnccc2C)C1 ZINC000279942742 169206686 /nfs/dbraw/zinc/20/66/86/169206686.db2.gz NXLLCPZQJKHHHQ-AWEZNQCLSA-N 2 1 247.386 2.212 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cnccc2C)C1 ZINC000279942742 169206689 /nfs/dbraw/zinc/20/66/89/169206689.db2.gz NXLLCPZQJKHHHQ-AWEZNQCLSA-N 2 1 247.386 2.212 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)COC(C)C)C1 ZINC000337339613 169206825 /nfs/dbraw/zinc/20/68/25/169206825.db2.gz OSUIRJSHLPWNBR-KGLIPLIRSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)[C@H]2C)C1 ZINC000309976879 169208338 /nfs/dbraw/zinc/20/83/38/169208338.db2.gz UBJWWFHJAFZJFP-REWJHTLYSA-N 2 1 224.392 2.352 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]2CC)C1 ZINC000336782971 169208695 /nfs/dbraw/zinc/20/86/95/169208695.db2.gz ZDIVGGNMCSDJIH-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)co1 ZINC000125982072 183351247 /nfs/dbraw/zinc/35/12/47/183351247.db2.gz XIUDNNALRBGVMI-MELADBBJSA-N 2 1 234.343 2.290 20 0 BEADMP c1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000037408353 183352637 /nfs/dbraw/zinc/35/26/37/183352637.db2.gz ZSTOYRSCDSVWHW-LLVKDONJSA-N 2 1 236.384 2.322 20 0 BEADMP c1cc2c(s1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000020072115 183373538 /nfs/dbraw/zinc/37/35/38/183373538.db2.gz XHIPNEFFHFYSPS-UHFFFAOYSA-N 2 1 236.384 2.106 20 0 BEADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000222816158 134335080 /nfs/dbraw/zinc/33/50/80/134335080.db2.gz FKOJVURKNHCQQM-AVGNSLFASA-N 2 1 212.381 2.493 20 0 BEADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000222816158 134335081 /nfs/dbraw/zinc/33/50/81/134335081.db2.gz FKOJVURKNHCQQM-AVGNSLFASA-N 2 1 212.381 2.493 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CC1(C)CC1 ZINC000309577203 383880028 /nfs/dbraw/zinc/88/00/28/383880028.db2.gz PIAAYJVUMMTCLM-LLVKDONJSA-N 2 1 221.348 2.217 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000087771478 383865060 /nfs/dbraw/zinc/86/50/60/383865060.db2.gz PPPFFLUGQOLAIT-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cccs1 ZINC000070534355 383934537 /nfs/dbraw/zinc/93/45/37/383934537.db2.gz IIZDIHPJDBSMKF-NSHDSACASA-N 2 1 224.373 2.451 20 0 BEADMP CC[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000304206778 383899932 /nfs/dbraw/zinc/89/99/32/383899932.db2.gz PZJMWDIIDNVWTQ-KWCYVHTRSA-N 2 1 218.344 2.212 20 0 BEADMP CC[C@@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000304206778 383899943 /nfs/dbraw/zinc/89/99/43/383899943.db2.gz PZJMWDIIDNVWTQ-KWCYVHTRSA-N 2 1 218.344 2.212 20 0 BEADMP C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccn1 ZINC000037649373 383992057 /nfs/dbraw/zinc/99/20/57/383992057.db2.gz MQNPEPXKKNPJHC-OLZOCXBDSA-N 2 1 245.370 2.217 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccn1 ZINC000037649373 383992066 /nfs/dbraw/zinc/99/20/66/383992066.db2.gz MQNPEPXKKNPJHC-OLZOCXBDSA-N 2 1 245.370 2.217 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccn1 ZINC000037649373 383992076 /nfs/dbraw/zinc/99/20/76/383992076.db2.gz MQNPEPXKKNPJHC-OLZOCXBDSA-N 2 1 245.370 2.217 20 0 BEADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@H](C)COC ZINC000569410643 384000323 /nfs/dbraw/zinc/00/03/23/384000323.db2.gz DSPGDWMGKZMNGC-AWEZNQCLSA-N 2 1 242.407 2.077 20 0 BEADMP CCc1ccc(C[NH2+]C2CC[NH+](C)CC2)s1 ZINC000037267400 383968544 /nfs/dbraw/zinc/96/85/44/383968544.db2.gz KUVAOEWDEKGTTN-UHFFFAOYSA-N 2 1 238.400 2.494 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC=CCC2)[C@H](C)C1 ZINC000090035796 384022227 /nfs/dbraw/zinc/02/22/27/384022227.db2.gz PQEQXRXDTAPIBQ-RDBSUJKOSA-N 2 1 222.376 2.415 20 0 BEADMP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546497 384013633 /nfs/dbraw/zinc/01/36/33/384013633.db2.gz PLXCYQDXWAHPKO-CMPLNLGQSA-N 2 1 248.374 2.043 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccncc1 ZINC000643548527 384035660 /nfs/dbraw/zinc/03/56/60/384035660.db2.gz QLVRAVQOEPDDRR-GXTWGEPZSA-N 2 1 245.370 2.407 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(C)CCC1 ZINC000090220109 384036038 /nfs/dbraw/zinc/03/60/38/384036038.db2.gz PBUWGGJZFXEGCN-UPJWGTAASA-N 2 1 224.392 2.495 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CC)CC2)[C@@H](C)C1 ZINC000090219463 384037046 /nfs/dbraw/zinc/03/70/46/384037046.db2.gz GAIUJVUPQZQEKY-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc[nH]c2)CC1 ZINC000090994757 384089536 /nfs/dbraw/zinc/08/95/36/384089536.db2.gz HDYRAWSRVGKKKN-UHFFFAOYSA-N 2 1 235.375 2.367 20 0 BEADMP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)OC ZINC000449379260 384080270 /nfs/dbraw/zinc/08/02/70/384080270.db2.gz SIXIEUORTKRGRO-MGPQQGTHSA-N 2 1 242.407 2.121 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000334672254 384141135 /nfs/dbraw/zinc/14/11/35/384141135.db2.gz SUUYRHANNGLFBE-UKRRQHHQSA-N 2 1 247.386 2.271 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000334672254 384141137 /nfs/dbraw/zinc/14/11/37/384141137.db2.gz SUUYRHANNGLFBE-UKRRQHHQSA-N 2 1 247.386 2.271 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000163208010 384165297 /nfs/dbraw/zinc/16/52/97/384165297.db2.gz QYEKOMXKVMAXSJ-ONGXEEELSA-N 2 1 240.297 2.134 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000163208010 384165302 /nfs/dbraw/zinc/16/53/02/384165302.db2.gz QYEKOMXKVMAXSJ-ONGXEEELSA-N 2 1 240.297 2.134 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000163243017 384188582 /nfs/dbraw/zinc/18/85/82/384188582.db2.gz IIJKKCIRIWDQBE-LRDDRELGSA-N 2 1 244.382 2.344 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000163242915 384188742 /nfs/dbraw/zinc/18/87/42/384188742.db2.gz IIJKKCIRIWDQBE-MLGOLLRUSA-N 2 1 244.382 2.344 20 0 BEADMP CSCCC[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000173527554 384225077 /nfs/dbraw/zinc/22/50/77/384225077.db2.gz FXDIFAZOSYUKDS-VXGBXAGGSA-N 2 1 230.421 2.154 20 0 BEADMP CSCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000173527554 384225082 /nfs/dbraw/zinc/22/50/82/384225082.db2.gz FXDIFAZOSYUKDS-VXGBXAGGSA-N 2 1 230.421 2.154 20 0 BEADMP CSCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000173527554 384225087 /nfs/dbraw/zinc/22/50/87/384225087.db2.gz FXDIFAZOSYUKDS-VXGBXAGGSA-N 2 1 230.421 2.154 20 0 BEADMP CSCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173527554 384225090 /nfs/dbraw/zinc/22/50/90/384225090.db2.gz FXDIFAZOSYUKDS-VXGBXAGGSA-N 2 1 230.421 2.154 20 0 BEADMP CSCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000173527554 384225093 /nfs/dbraw/zinc/22/50/93/384225093.db2.gz FXDIFAZOSYUKDS-VXGBXAGGSA-N 2 1 230.421 2.154 20 0 BEADMP C(C[N@H+]1CCC2(CCC2)C1)C1CC[NH2+]CC1 ZINC000336607804 384226235 /nfs/dbraw/zinc/22/62/35/384226235.db2.gz XQBNEWPBRBAQTM-UHFFFAOYSA-N 2 1 222.376 2.252 20 0 BEADMP CC[C@H]1C[N@@H+](CC2(OC)CCCC2)CC[C@H]1[NH3+] ZINC000319456331 384250438 /nfs/dbraw/zinc/25/04/38/384250438.db2.gz OCXSXEAPRMUKQX-QWHCGFSZSA-N 2 1 240.391 2.005 20 0 BEADMP CCC[C@H](C)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000082645617 384253573 /nfs/dbraw/zinc/25/35/73/384253573.db2.gz GXYFGUWHCPGMAY-XQQFMLRXSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000082645631 384253872 /nfs/dbraw/zinc/25/38/72/384253872.db2.gz YACRAAHCUORGQV-DGCLKSJQSA-N 2 1 210.365 2.236 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOC(C)(C)C)C1 ZINC000173885895 384276007 /nfs/dbraw/zinc/27/60/07/384276007.db2.gz QKIHWAIPDHKUJP-CYBMUJFWSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOC(C)(C)C)C1 ZINC000173885895 384276010 /nfs/dbraw/zinc/27/60/10/384276010.db2.gz QKIHWAIPDHKUJP-CYBMUJFWSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOC(C)(C)C)C1 ZINC000173885895 384276016 /nfs/dbraw/zinc/27/60/16/384276016.db2.gz QKIHWAIPDHKUJP-CYBMUJFWSA-N 2 1 242.407 2.075 20 0 BEADMP c1ccc2c(c1)CCC[C@H]2[N@H+]1CCC[NH2+]CC1 ZINC000034444889 384279916 /nfs/dbraw/zinc/27/99/16/384279916.db2.gz VIZVUUXHGLJMQQ-OAHLLOKOSA-N 2 1 230.355 2.359 20 0 BEADMP C[N@H+](Cc1cc2ccccc2o1)C1CC([NH3+])C1 ZINC000335477267 384295568 /nfs/dbraw/zinc/29/55/68/384295568.db2.gz FJKLHPMYMWPVGY-UHFFFAOYSA-N 2 1 230.311 2.354 20 0 BEADMP C[N@@H+](Cc1cc2ccccc2o1)C1CC([NH3+])C1 ZINC000335477267 384295575 /nfs/dbraw/zinc/29/55/75/384295575.db2.gz FJKLHPMYMWPVGY-UHFFFAOYSA-N 2 1 230.311 2.354 20 0 BEADMP CC1(C)CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000069793456 384354858 /nfs/dbraw/zinc/35/48/58/384354858.db2.gz HZHHNNAOITWVAF-UHFFFAOYSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(C)CC1 ZINC000300359088 384357391 /nfs/dbraw/zinc/35/73/91/384357391.db2.gz MNCPLLRIZULHKZ-UTUOFQBUSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000084047954 384357359 /nfs/dbraw/zinc/35/73/59/384357359.db2.gz ZORAWHLQAWTHSP-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000084047960 384358949 /nfs/dbraw/zinc/35/89/49/384358949.db2.gz ZORAWHLQAWTHSP-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CC=CCC2)CC1 ZINC000084066607 384360036 /nfs/dbraw/zinc/36/00/36/384360036.db2.gz OIFHTKDYFIPLSW-LBPRGKRZSA-N 2 1 208.349 2.169 20 0 BEADMP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)CC1CC1 ZINC000084385213 384391125 /nfs/dbraw/zinc/39/11/25/384391125.db2.gz QSAFMYYGSGZHMB-GFCCVEGCSA-N 2 1 210.365 2.108 20 0 BEADMP CC[C@H]1CCC[C@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000449433343 384448848 /nfs/dbraw/zinc/44/88/48/384448848.db2.gz LYNQOLZSQUNUKU-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036996812 384470113 /nfs/dbraw/zinc/47/01/13/384470113.db2.gz VVKIWVAPNZKHNN-YNEHKIRRSA-N 2 1 210.365 2.247 20 0 BEADMP CC(C)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036996812 384470120 /nfs/dbraw/zinc/47/01/20/384470120.db2.gz VVKIWVAPNZKHNN-YNEHKIRRSA-N 2 1 210.365 2.247 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCSCC1 ZINC000163772200 384493964 /nfs/dbraw/zinc/49/39/64/384493964.db2.gz XMMGSTJQFRBXTM-LLVKDONJSA-N 2 1 230.421 2.202 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCSCC1 ZINC000163772200 384493970 /nfs/dbraw/zinc/49/39/70/384493970.db2.gz XMMGSTJQFRBXTM-LLVKDONJSA-N 2 1 230.421 2.202 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCSCC1 ZINC000163772275 384494147 /nfs/dbraw/zinc/49/41/47/384494147.db2.gz XMMGSTJQFRBXTM-NSHDSACASA-N 2 1 230.421 2.202 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCSCC1 ZINC000163772275 384494150 /nfs/dbraw/zinc/49/41/50/384494150.db2.gz XMMGSTJQFRBXTM-NSHDSACASA-N 2 1 230.421 2.202 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](CCCCCF)C[C@H]1C[NH3+] ZINC000397397270 384513131 /nfs/dbraw/zinc/51/31/31/384513131.db2.gz POKCESQEZLGYLH-FRRDWIJNSA-N 2 1 230.371 2.431 20 0 BEADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)CC1CCC1 ZINC000161798765 384527885 /nfs/dbraw/zinc/52/78/85/384527885.db2.gz GKRSXFCFEKUFKA-ZDUSSCGKSA-N 2 1 210.365 2.203 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccco1 ZINC000049330132 384531159 /nfs/dbraw/zinc/53/11/59/384531159.db2.gz MOVLYBIUTXPTFS-SNVBAGLBSA-N 2 1 219.288 2.135 20 0 BEADMP CC(C)[NH+](CC[NH2+][C@@H](C)C1CC1)C(C)C ZINC000019901054 384553134 /nfs/dbraw/zinc/55/31/34/384553134.db2.gz KWZJYHCHQDRJLC-LBPRGKRZSA-N 2 1 212.381 2.493 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000306049647 384568828 /nfs/dbraw/zinc/56/88/28/384568828.db2.gz VVGLVEWRQQBXLB-NWDGAFQWSA-N 2 1 246.345 2.353 20 0 BEADMP CCC[NH+]1CCC([N@@H+](C)CCCF)CC1 ZINC000151364812 384569677 /nfs/dbraw/zinc/56/96/77/384569677.db2.gz JAIQGPQFXSTVFX-UHFFFAOYSA-N 2 1 216.344 2.152 20 0 BEADMP CC[C@](C)(C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1)OC ZINC000319894249 384573349 /nfs/dbraw/zinc/57/33/49/384573349.db2.gz PJQSRSISNFXFPI-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]C2Cc3ccccc3C2)CC1 ZINC000335896482 384589358 /nfs/dbraw/zinc/58/93/58/384589358.db2.gz MCVXUOAQLCSZDM-UHFFFAOYSA-N 2 1 242.366 2.005 20 0 BEADMP CC(C)[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000040621550 384590033 /nfs/dbraw/zinc/59/00/33/384590033.db2.gz AFXVSPFALRJPHW-CHWSQXEVSA-N 2 1 212.381 2.351 20 0 BEADMP COc1cc(C[NH2+]CCC[NH+](C)C)ccc1C ZINC000124199630 384622990 /nfs/dbraw/zinc/62/29/90/384622990.db2.gz NMSNGGXKCPLEDY-UHFFFAOYSA-N 2 1 236.359 2.045 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC1(C)CC1 ZINC000309767172 384594881 /nfs/dbraw/zinc/59/48/81/384594881.db2.gz JRPIXFPFXLUVHB-AGIUHOORSA-N 2 1 224.392 2.495 20 0 BEADMP C([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000403385775 384644901 /nfs/dbraw/zinc/64/49/01/384644901.db2.gz QZCKMRSNDYFGMZ-TUVASFSCSA-N 2 1 248.414 2.497 20 0 BEADMP CC1CCC(C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000647534787 384646734 /nfs/dbraw/zinc/64/67/34/384646734.db2.gz WDVFSMQVOQDHFZ-PFSRBDOWSA-N 2 1 236.403 2.497 20 0 BEADMP CC1CCC(C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000647534787 384646737 /nfs/dbraw/zinc/64/67/37/384646737.db2.gz WDVFSMQVOQDHFZ-PFSRBDOWSA-N 2 1 236.403 2.497 20 0 BEADMP CS[C@@H](C[NH2+]C1CC[NH+](C)CC1)C(C)(C)C ZINC000309839153 384656247 /nfs/dbraw/zinc/65/62/47/384656247.db2.gz CDHGNVWOVAWSKS-LBPRGKRZSA-N 2 1 244.448 2.448 20 0 BEADMP Cc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000051214073 384661999 /nfs/dbraw/zinc/66/19/99/384661999.db2.gz WPKPBIQSQQGZCI-UHFFFAOYSA-N 2 1 220.360 2.412 20 0 BEADMP [NH3+][C@@H](C[NH2+]Cc1ccc(C(F)F)cc1)C1CC1 ZINC000556932308 384662621 /nfs/dbraw/zinc/66/26/21/384662621.db2.gz UKGSKITUKHDGPC-LBPRGKRZSA-N 2 1 240.297 2.451 20 0 BEADMP C[N@H+](CC(C)(C)c1ccccc1)C1CC([NH3+])C1 ZINC000647544866 384723767 /nfs/dbraw/zinc/72/37/67/384723767.db2.gz VRXSEURFDHWWNU-UHFFFAOYSA-N 2 1 232.371 2.386 20 0 BEADMP C[N@@H+](CC(C)(C)c1ccccc1)C1CC([NH3+])C1 ZINC000647544866 384723774 /nfs/dbraw/zinc/72/37/74/384723774.db2.gz VRXSEURFDHWWNU-UHFFFAOYSA-N 2 1 232.371 2.386 20 0 BEADMP FC1(F)CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000258899518 384690041 /nfs/dbraw/zinc/69/00/41/384690041.db2.gz OEIYWBBQTQFPKW-LLVKDONJSA-N 2 1 232.318 2.107 20 0 BEADMP Clc1c[nH+]ccc1NCC[NH+]1CCCC1 ZINC000086833169 384700614 /nfs/dbraw/zinc/70/06/14/384700614.db2.gz GSRHRJPIISHSCL-UHFFFAOYSA-N 2 1 225.723 2.243 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543427 384712204 /nfs/dbraw/zinc/71/22/04/384712204.db2.gz NFWZQPWIANTLLS-KBUPBQIOSA-N 2 1 236.403 2.354 20 0 BEADMP CC(C)C[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000308457473 384732142 /nfs/dbraw/zinc/73/21/42/384732142.db2.gz FFHDFSNZBZLHPK-NEPJUHHUSA-N 2 1 200.370 2.384 20 0 BEADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(F)cc(F)c1 ZINC000125627981 384737717 /nfs/dbraw/zinc/73/77/17/384737717.db2.gz VJOQNKADTYDXGW-JTQLQIEISA-N 2 1 242.313 2.395 20 0 BEADMP C[NH+](C)[C@@H](C[NH2+][C@H]1CCC12CCC2)C1CC1 ZINC000309967069 384742914 /nfs/dbraw/zinc/74/29/14/384742914.db2.gz NXFUZVNDZYRDMU-STQMWFEESA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000647548966 384743747 /nfs/dbraw/zinc/74/37/47/384743747.db2.gz CBJDRBRDDHYCPT-NWANDNLSSA-N 2 1 244.382 2.304 20 0 BEADMP C[C@@]1(C[N@H+]2CC[C@H](C3CCC3)C2)CC[NH2+]C1 ZINC000647552015 384758969 /nfs/dbraw/zinc/75/89/69/384758969.db2.gz AHNDZPNZLLLZIB-UONOGXRCSA-N 2 1 222.376 2.108 20 0 BEADMP [NH3+]CCC[NH2+]C1(c2ccccc2Cl)CC1 ZINC000647552806 384760460 /nfs/dbraw/zinc/76/04/60/384760460.db2.gz YDBVQFAZPZHXAM-UHFFFAOYSA-N 2 1 224.735 2.268 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+]CC(C)(C)C ZINC000163827685 384827395 /nfs/dbraw/zinc/82/73/95/384827395.db2.gz FNMYGRYTUKKOQG-LLVKDONJSA-N 2 1 200.370 2.352 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]CC(C)(C)C ZINC000163827685 384827400 /nfs/dbraw/zinc/82/74/00/384827400.db2.gz FNMYGRYTUKKOQG-LLVKDONJSA-N 2 1 200.370 2.352 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+]CC(C)C ZINC000308518834 384782298 /nfs/dbraw/zinc/78/22/98/384782298.db2.gz NXPBGJMGLBSGGJ-LBPRGKRZSA-N 2 1 200.370 2.352 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]CC(C)C ZINC000308518834 384782301 /nfs/dbraw/zinc/78/23/01/384782301.db2.gz NXPBGJMGLBSGGJ-LBPRGKRZSA-N 2 1 200.370 2.352 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CC[C@H]1C(C)C ZINC000423264705 384783149 /nfs/dbraw/zinc/78/31/49/384783149.db2.gz QDXOYYCOHCPOTK-AGIUHOORSA-N 2 1 212.381 2.384 20 0 BEADMP C[C@@H]([NH2+]C1Cc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000335041599 384783980 /nfs/dbraw/zinc/78/39/80/384783980.db2.gz QFEJIHPPSLMWSD-WBMJQRKESA-N 2 1 244.382 2.274 20 0 BEADMP CC(C)[C@H](C)[N@H+](C)CC[NH2+]C(C)(C)C ZINC000042302651 384785126 /nfs/dbraw/zinc/78/51/26/384785126.db2.gz AAQMFOAAFGHRLM-NSHDSACASA-N 2 1 200.370 2.351 20 0 BEADMP CC(C)[C@H](C)[N@@H+](C)CC[NH2+]C(C)(C)C ZINC000042302651 384785130 /nfs/dbraw/zinc/78/51/30/384785130.db2.gz AAQMFOAAFGHRLM-NSHDSACASA-N 2 1 200.370 2.351 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000423264708 384785575 /nfs/dbraw/zinc/78/55/75/384785575.db2.gz QDXOYYCOHCPOTK-UPJWGTAASA-N 2 1 212.381 2.384 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C(C1CC1)C1CC1 ZINC000053377576 384785932 /nfs/dbraw/zinc/78/59/32/384785932.db2.gz NZQLYYNAKPAQJM-LLVKDONJSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C(C1CC1)C1CC1 ZINC000053377576 384785936 /nfs/dbraw/zinc/78/59/36/384785936.db2.gz NZQLYYNAKPAQJM-LLVKDONJSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000423277108 384788510 /nfs/dbraw/zinc/78/85/10/384788510.db2.gz PESBIOMICRXYPN-KGLIPLIRSA-N 2 1 236.334 2.386 20 0 BEADMP Cc1ccccc1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000042436125 384794603 /nfs/dbraw/zinc/79/46/03/384794603.db2.gz WNBNOTHWOWLJSN-UHFFFAOYSA-N 2 1 206.333 2.164 20 0 BEADMP Cc1ccccc1C[N@H+](C)CC(C)(C)[NH3+] ZINC000042436125 384794609 /nfs/dbraw/zinc/79/46/09/384794609.db2.gz WNBNOTHWOWLJSN-UHFFFAOYSA-N 2 1 206.333 2.164 20 0 BEADMP CCCC[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000042491301 384807796 /nfs/dbraw/zinc/80/77/96/384807796.db2.gz DLWAJRVZZJPZTQ-UHFFFAOYSA-N 2 1 210.365 2.251 20 0 BEADMP CS[C@@H]1CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000309843858 384872589 /nfs/dbraw/zinc/87/25/89/384872589.db2.gz FRZJGCDKIVRGRC-NTWDBFDFSA-N 2 1 240.416 2.095 20 0 BEADMP Cc1ccoc1CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000127006154 384853306 /nfs/dbraw/zinc/85/33/06/384853306.db2.gz BRUKTBUCYFGOLY-NEPJUHHUSA-N 2 1 222.332 2.160 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000049707622 384900357 /nfs/dbraw/zinc/90/03/57/384900357.db2.gz DJYGJKUQAAIGTJ-YPMHNXCESA-N 2 1 234.343 2.007 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000423447062 384901246 /nfs/dbraw/zinc/90/12/46/384901246.db2.gz OSPSHXWFVPPGJI-MWODSPESSA-N 2 1 222.307 2.138 20 0 BEADMP COC1(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)CCCC1 ZINC000318932280 384915125 /nfs/dbraw/zinc/91/51/25/384915125.db2.gz ANVVYQUHFWOLFB-STQMWFEESA-N 2 1 240.391 2.005 20 0 BEADMP CC[C@@H](C)C[NH2+]CCC[N@@H+](C)C(C)C ZINC000128857193 384964905 /nfs/dbraw/zinc/96/49/05/384964905.db2.gz HCDKFSKVKCSXCM-GFCCVEGCSA-N 2 1 200.370 2.352 20 0 BEADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)C1Cc2ccccc2C1 ZINC000226436971 385022222 /nfs/dbraw/zinc/02/22/22/385022222.db2.gz VMKRNJATFJZCIC-ZDUSSCGKSA-N 2 1 244.382 2.085 20 0 BEADMP [NH3+][C@H]1C[C@H]([NH2+]CC2=CCCOC2)c2ccccc21 ZINC000336230848 385016655 /nfs/dbraw/zinc/01/66/55/385016655.db2.gz QFNAVPFFDJFVAS-GJZGRUSLSA-N 2 1 244.338 2.068 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000157091003 385066214 /nfs/dbraw/zinc/06/62/14/385066214.db2.gz GYMNCFCUHOAHMO-UWVGGRQHSA-N 2 1 238.297 2.259 20 0 BEADMP C[C@H](F)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000340471974 385069955 /nfs/dbraw/zinc/06/99/55/385069955.db2.gz XXZDUYROMVARHS-WRWGMCAJSA-N 2 1 216.344 2.053 20 0 BEADMP FCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000361646078 385084922 /nfs/dbraw/zinc/08/49/22/385084922.db2.gz GKGBDKJNAMLJQS-UHFFFAOYSA-N 2 1 228.355 2.296 20 0 BEADMP CC[C@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000226993528 385077357 /nfs/dbraw/zinc/07/73/57/385077357.db2.gz VCLMMGRARILWOS-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)C(C)C ZINC000310020277 385041333 /nfs/dbraw/zinc/04/13/33/385041333.db2.gz MYDJIIALCHDKRS-MNOVXSKESA-N 2 1 221.348 2.291 20 0 BEADMP Cc1cnccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000294716100 385136127 /nfs/dbraw/zinc/13/61/27/385136127.db2.gz HRPHSJVHXNZXQG-UHFFFAOYSA-N 2 1 245.370 2.106 20 0 BEADMP C[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000227057253 385086384 /nfs/dbraw/zinc/08/63/84/385086384.db2.gz NLMVPNGWBMQFEC-VNHYZAJKSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479294 385152743 /nfs/dbraw/zinc/15/27/43/385152743.db2.gz AVRCXUDKDQWCCJ-AAVRWANBSA-N 2 1 222.376 2.106 20 0 BEADMP CC1(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000647479735 385157654 /nfs/dbraw/zinc/15/76/54/385157654.db2.gz RLARNLZFIJOVHU-STQMWFEESA-N 2 1 222.376 2.251 20 0 BEADMP CC1(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000647479734 385159345 /nfs/dbraw/zinc/15/93/45/385159345.db2.gz RLARNLZFIJOVHU-QWHCGFSZSA-N 2 1 222.376 2.251 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000308805507 385169744 /nfs/dbraw/zinc/16/97/44/385169744.db2.gz AVLRAZSJEVCDLX-RWMBFGLXSA-N 2 1 210.365 2.106 20 0 BEADMP CCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044533292 385208279 /nfs/dbraw/zinc/20/82/79/385208279.db2.gz HGYXWFGDEOULSL-OLZOCXBDSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H]1CC[N@@H+](CC2CCCC2)C[C@@H]1C[NH3+] ZINC000164652320 385223065 /nfs/dbraw/zinc/22/30/65/385223065.db2.gz HTQOJEGDNHYITG-AAEUAGOBSA-N 2 1 210.365 2.093 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cccs1 ZINC000252714846 385224438 /nfs/dbraw/zinc/22/44/38/385224438.db2.gz TWTGHOCNHXNVQK-DGCLKSJQSA-N 2 1 238.400 2.220 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313037801 385231089 /nfs/dbraw/zinc/23/10/89/385231089.db2.gz VGVBEDHRRHULNU-VXGBXAGGSA-N 2 1 210.365 2.426 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@H]2C)C1 ZINC000346663859 385254943 /nfs/dbraw/zinc/25/49/43/385254943.db2.gz XDRUCEFOGTUPED-ZOBORPQBSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H]([NH2+]CC[NH3+])c1cccc2ccccc21 ZINC000037712350 385274397 /nfs/dbraw/zinc/27/43/97/385274397.db2.gz RVKCNXZTXIAGGC-LLVKDONJSA-N 2 1 214.312 2.449 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000647490380 385282854 /nfs/dbraw/zinc/28/28/54/385282854.db2.gz STQAPCZSKNGZLR-ZDUSSCGKSA-N 2 1 241.338 2.015 20 0 BEADMP C[C@H](CF)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000308983746 385324985 /nfs/dbraw/zinc/32/49/85/385324985.db2.gz IZSNIMUIDJBRDL-SNVBAGLBSA-N 2 1 216.344 2.197 20 0 BEADMP CCC1CC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000309176626 385451124 /nfs/dbraw/zinc/45/11/24/385451124.db2.gz MXTLLXBUADMFJA-CQLXCSJHSA-N 2 1 210.365 2.247 20 0 BEADMP CCC1CC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000309176626 385451126 /nfs/dbraw/zinc/45/11/26/385451126.db2.gz MXTLLXBUADMFJA-CQLXCSJHSA-N 2 1 210.365 2.247 20 0 BEADMP CCC1CC([NH2+]C[C@H]2CC[N@@H+](CC)C2)C1 ZINC000309202550 385475548 /nfs/dbraw/zinc/47/55/48/385475548.db2.gz RPGXJBIYJUMHMC-OTTFEQOBSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2Cc3ccccc3C2)CC[N@@H+]1C ZINC000156573853 385459319 /nfs/dbraw/zinc/45/93/19/385459319.db2.gz LLDZMPNOZBVHNX-DOMZBBRYSA-N 2 1 244.382 2.226 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2Cc3ccccc3C2)CC[N@H+]1C ZINC000156573853 385459325 /nfs/dbraw/zinc/45/93/25/385459325.db2.gz LLDZMPNOZBVHNX-DOMZBBRYSA-N 2 1 244.382 2.226 20 0 BEADMP CC(C)(C)CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000309290354 385515387 /nfs/dbraw/zinc/51/53/87/385515387.db2.gz PZVUZXYRHMXSLG-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)=CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000309453281 385585087 /nfs/dbraw/zinc/58/50/87/385585087.db2.gz LRSCGKMXJPJZFR-BFHYXJOUSA-N 2 1 222.376 2.415 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000309448430 385588045 /nfs/dbraw/zinc/58/80/45/385588045.db2.gz LXEZGRCOXXTEOL-ZYHUDNBSSA-N 2 1 221.348 2.216 20 0 BEADMP c1csc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252673498 385654315 /nfs/dbraw/zinc/65/43/15/385654315.db2.gz JXMYQZUILFWILN-RYUDHWBXSA-N 2 1 236.384 2.465 20 0 BEADMP c1csc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252673498 385654323 /nfs/dbraw/zinc/65/43/23/385654323.db2.gz JXMYQZUILFWILN-RYUDHWBXSA-N 2 1 236.384 2.465 20 0 BEADMP C[NH+]1CCC([NH2+]C2CCC3(CC3)CC2)CC1 ZINC000309543853 385679284 /nfs/dbraw/zinc/67/92/84/385679284.db2.gz GLXWOROGWZFWCS-UHFFFAOYSA-N 2 1 222.376 2.393 20 0 BEADMP CC[C@@H]1C[C@H](C[NH2+][C@H](C[NH3+])CC(C)C)CCO1 ZINC000414853131 385684234 /nfs/dbraw/zinc/68/42/34/385684234.db2.gz RWPYICPIWQGKJX-HZSPNIEDSA-N 2 1 242.407 2.155 20 0 BEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CC1(C)C ZINC000309568677 385704886 /nfs/dbraw/zinc/70/48/86/385704886.db2.gz MZZWRWWWEZDYFM-YPMHNXCESA-N 2 1 222.376 2.273 20 0 BEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CC1(C)C ZINC000309568674 385704923 /nfs/dbraw/zinc/70/49/23/385704923.db2.gz MZZWRWWWEZDYFM-AAEUAGOBSA-N 2 1 222.376 2.273 20 0 BEADMP CC1(C)CC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000336656651 385785796 /nfs/dbraw/zinc/78/57/96/385785796.db2.gz LQAQQZDOWKKFFV-DGCLKSJQSA-N 2 1 222.376 2.249 20 0 BEADMP CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185709254 385736250 /nfs/dbraw/zinc/73/62/50/385736250.db2.gz AGFMLAUXFKWXCB-VXGBXAGGSA-N 2 1 210.365 2.249 20 0 BEADMP COc1ccccc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414859283 385740837 /nfs/dbraw/zinc/74/08/37/385740837.db2.gz UBPWWDVNUGJPSS-OLZOCXBDSA-N 2 1 248.370 2.173 20 0 BEADMP C[C@H](CCc1ccsc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414864883 385766580 /nfs/dbraw/zinc/76/65/80/385766580.db2.gz KLFAPNLODZXGQK-DGCLKSJQSA-N 2 1 238.400 2.411 20 0 BEADMP CCSc1cccc(C[NH2+][C@@H](C)C[NH3+])c1 ZINC000414948019 385806390 /nfs/dbraw/zinc/80/63/90/385806390.db2.gz WJPPWGHXYWLADJ-JTQLQIEISA-N 2 1 224.373 2.235 20 0 BEADMP CC(C)[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000084126316 385856964 /nfs/dbraw/zinc/85/69/64/385856964.db2.gz SWBQQTGRENNTLU-CQSZACIVSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](CC)OC)C1 ZINC000412980646 385818550 /nfs/dbraw/zinc/81/85/50/385818550.db2.gz YGWANZQDIVXTOH-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](CC)OC)C1 ZINC000412980646 385818556 /nfs/dbraw/zinc/81/85/56/385818556.db2.gz YGWANZQDIVXTOH-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000271346848 385819184 /nfs/dbraw/zinc/81/91/84/385819184.db2.gz XVOVMQNCEHJZQP-NWDGAFQWSA-N 2 1 207.321 2.174 20 0 BEADMP CC[C@H](C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)OC ZINC000412977222 385823277 /nfs/dbraw/zinc/82/32/77/385823277.db2.gz LBLIFVUXXYPOTP-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP CC[C@H](C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)OC ZINC000412977222 385823282 /nfs/dbraw/zinc/82/32/82/385823282.db2.gz LBLIFVUXXYPOTP-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP CC[C@H](C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)OC ZINC000412977222 385823284 /nfs/dbraw/zinc/82/32/84/385823284.db2.gz LBLIFVUXXYPOTP-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH2+][C@H](C)C[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000414952177 385823334 /nfs/dbraw/zinc/82/33/34/385823334.db2.gz IGFFYNLHFZOACP-NWDGAFQWSA-N 2 1 238.350 2.344 20 0 BEADMP CCC[NH2+]CC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000414871520 385858029 /nfs/dbraw/zinc/85/80/29/385858029.db2.gz OEBQFAIGJUCGDM-GFCCVEGCSA-N 2 1 238.350 2.346 20 0 BEADMP CC[C@H]1CC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336738337 385837205 /nfs/dbraw/zinc/83/72/05/385837205.db2.gz OBQQLLZWKNRXDS-SMDDNHRTSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cscn1 ZINC000647803145 385838668 /nfs/dbraw/zinc/83/86/68/385838668.db2.gz FCLMLCCRSBNIJA-SNVBAGLBSA-N 2 1 247.367 2.453 20 0 BEADMP Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000271587651 385840131 /nfs/dbraw/zinc/84/01/31/385840131.db2.gz SJMOEHIWQQODKJ-QWHCGFSZSA-N 2 1 235.375 2.381 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CCC(F)CC1 ZINC000647804152 385840695 /nfs/dbraw/zinc/84/06/95/385840695.db2.gz KNNSCTACUVQZSB-WTIISPKJSA-N 2 1 228.355 2.102 20 0 BEADMP C[C@H](CCc1ccsc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000414867136 385791318 /nfs/dbraw/zinc/79/13/18/385791318.db2.gz GFBNJYDXTFQBJO-PWSUYJOCSA-N 2 1 224.373 2.021 20 0 BEADMP CCCc1cccc(C[NH2+][C@@H](C)C[NH3+])c1 ZINC000414945917 385792520 /nfs/dbraw/zinc/79/25/20/385792520.db2.gz RLJWUMTXHBFLBK-NSHDSACASA-N 2 1 206.333 2.076 20 0 BEADMP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000414945868 385793644 /nfs/dbraw/zinc/79/36/44/385793644.db2.gz RBMZDUIMUARVKE-SRVKXCTJSA-N 2 1 206.333 2.115 20 0 BEADMP C[C@H](CCc1cccc(F)c1)[NH2+][C@@H](C)C[NH3+] ZINC000414945044 385796120 /nfs/dbraw/zinc/79/61/20/385796120.db2.gz PQLITYMDZXZZTB-MNOVXSKESA-N 2 1 224.323 2.084 20 0 BEADMP C[N@H+](Cc1cccs1)CC1CC[NH2+]CC1 ZINC000021949152 385885511 /nfs/dbraw/zinc/88/55/11/385885511.db2.gz HRDSURNHOGRUNX-UHFFFAOYSA-N 2 1 224.373 2.180 20 0 BEADMP CC(C)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000122132269 385886020 /nfs/dbraw/zinc/88/60/20/385886020.db2.gz GSDHUHDQDJRVIO-CHWSQXEVSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccncc1 ZINC000217677076 385891119 /nfs/dbraw/zinc/89/11/19/385891119.db2.gz BDWFGICOJHVPJC-QEJZJMRPSA-N 2 1 245.370 2.359 20 0 BEADMP Cc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1F ZINC000414876271 385902816 /nfs/dbraw/zinc/90/28/16/385902816.db2.gz DBKNYURFZHXMDC-UHFFFAOYSA-N 2 1 222.307 2.105 20 0 BEADMP [NH3+]C1(C[NH2+]C/C=C/c2ccccc2)CCC1 ZINC000414876402 385907241 /nfs/dbraw/zinc/90/72/41/385907241.db2.gz DIEIBRLKNKTBQJ-XBXARRHUSA-N 2 1 216.328 2.171 20 0 BEADMP CCC[NH2+]CC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000414876494 385908513 /nfs/dbraw/zinc/90/85/13/385908513.db2.gz VYHYCPILZDKMNI-CQSZACIVSA-N 2 1 234.387 2.454 20 0 BEADMP CCOc1ccccc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414966958 385923564 /nfs/dbraw/zinc/92/35/64/385923564.db2.gz XCCPGDKXWOUVCW-GXTWGEPZSA-N 2 1 248.370 2.173 20 0 BEADMP FCCCCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815146 385868768 /nfs/dbraw/zinc/86/87/68/385868768.db2.gz QZMCFZKIBGPLGD-UHFFFAOYSA-N 2 1 228.355 2.343 20 0 BEADMP COCC[C@H]([NH2+]C1CC[NH+](C)CC1)C(C)(C)C ZINC000338022542 385876165 /nfs/dbraw/zinc/87/61/65/385876165.db2.gz VJWLGEMTXVLHAK-ZDUSSCGKSA-N 2 1 242.407 2.121 20 0 BEADMP CCSCC[C@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000336748256 385984109 /nfs/dbraw/zinc/98/41/09/385984109.db2.gz DBSNJROSYCTFSE-JTQLQIEISA-N 2 1 218.410 2.187 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@](C)(OC)C1 ZINC000338389955 385986695 /nfs/dbraw/zinc/98/66/95/385986695.db2.gz TWCNBZHUBOAWLC-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000305994989 385988799 /nfs/dbraw/zinc/98/87/99/385988799.db2.gz MQKYNOGSDZFYER-NEPJUHHUSA-N 2 1 246.345 2.483 20 0 BEADMP Cc1ccc(C)c(OCC[NH2+]CC2([NH3+])CCC2)c1 ZINC000342122404 385931454 /nfs/dbraw/zinc/93/14/54/385931454.db2.gz BUPHTHZDRBUMPV-UHFFFAOYSA-N 2 1 248.370 2.153 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000335041362 385932944 /nfs/dbraw/zinc/93/29/44/385932944.db2.gz PWPFXVMRJWBKHU-NEPJUHHUSA-N 2 1 224.735 2.309 20 0 BEADMP CC[C@H](C[NH2+][C@H](C)[C@H]1C[C@@H]1C)[NH+]1CCCC1 ZINC000414059799 385937325 /nfs/dbraw/zinc/93/73/25/385937325.db2.gz IUGAICCSYWAYAH-DGAVXFQQSA-N 2 1 224.392 2.495 20 0 BEADMP CC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000335049089 385946792 /nfs/dbraw/zinc/94/67/92/385946792.db2.gz HOAKJVTVKODEGI-CHWSQXEVSA-N 2 1 204.317 2.089 20 0 BEADMP CC[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)[C@H]1C[C@@H]1C ZINC000414085908 385953982 /nfs/dbraw/zinc/95/39/82/385953982.db2.gz YXYIQZYIDLLNQL-DOERSZECSA-N 2 1 224.392 2.351 20 0 BEADMP CC[NH+](CC)CCC[N@@H+]1CCC=C(C)C1 ZINC000338362318 385973681 /nfs/dbraw/zinc/97/36/81/385973681.db2.gz DSIQRIQYTPKBEQ-UHFFFAOYSA-N 2 1 210.365 2.370 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CCC=C(C)C1 ZINC000338362318 385973685 /nfs/dbraw/zinc/97/36/85/385973685.db2.gz DSIQRIQYTPKBEQ-UHFFFAOYSA-N 2 1 210.365 2.370 20 0 BEADMP [NH3+]C1(C[NH2+]C/C=C/c2ccc(F)cc2)CCC1 ZINC000414881695 385997896 /nfs/dbraw/zinc/99/78/96/385997896.db2.gz SOSVAGNPHNIWHJ-HNQUOIGGSA-N 2 1 234.318 2.310 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]C/C=C/c1ccccc1OC ZINC000414976294 386015458 /nfs/dbraw/zinc/01/54/58/386015458.db2.gz HXAYDWSJXPTKOR-STMXVASLSA-N 2 1 234.343 2.035 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]C/C=C\c1ccccc1OC ZINC000414976292 386015892 /nfs/dbraw/zinc/01/58/92/386015892.db2.gz HXAYDWSJXPTKOR-FWPCIQOSSA-N 2 1 234.343 2.035 20 0 BEADMP COC(C)(C)[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414169823 386016343 /nfs/dbraw/zinc/01/63/43/386016343.db2.gz BODLPBZMNOWFFD-CHWSQXEVSA-N 2 1 242.407 2.121 20 0 BEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCC2(C)C)C1 ZINC000414168600 386016641 /nfs/dbraw/zinc/01/66/41/386016641.db2.gz ANUPTYXQDIYIGU-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH+](C)Cc1cnc(C[NH2+]CCCCF)s1 ZINC000336770928 386019051 /nfs/dbraw/zinc/01/90/51/386019051.db2.gz UBCORYQWTDXSEH-UHFFFAOYSA-N 2 1 245.367 2.044 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1cc(C)ccc1C ZINC000414975669 386020192 /nfs/dbraw/zinc/02/01/92/386020192.db2.gz GQMKOKDBGDILDL-CYBMUJFWSA-N 2 1 206.333 2.130 20 0 BEADMP Cc1nocc1CN1CCC(n2ccnc2)CC1 ZINC000295361204 386020760 /nfs/dbraw/zinc/02/07/60/386020760.db2.gz NUCWCERZABXOAH-UHFFFAOYSA-N 2 1 246.314 2.017 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1cc(C)ccc1C ZINC000414975670 386021421 /nfs/dbraw/zinc/02/14/21/386021421.db2.gz GQMKOKDBGDILDL-ZDUSSCGKSA-N 2 1 206.333 2.130 20 0 BEADMP Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)nc1 ZINC000334428605 386036262 /nfs/dbraw/zinc/03/62/62/386036262.db2.gz SQGWDTAKIKYWNR-UKRRQHHQSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)nc1 ZINC000334428605 386036269 /nfs/dbraw/zinc/03/62/69/386036269.db2.gz SQGWDTAKIKYWNR-UKRRQHHQSA-N 2 1 247.386 2.162 20 0 BEADMP C[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@H]1C[C@H]1C ZINC000414157055 386043068 /nfs/dbraw/zinc/04/30/68/386043068.db2.gz XGIWUFRNALTLKW-AGIUHOORSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@H]1C[C@H]1C ZINC000414157055 386043076 /nfs/dbraw/zinc/04/30/76/386043076.db2.gz XGIWUFRNALTLKW-AGIUHOORSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000414164579 386048327 /nfs/dbraw/zinc/04/83/27/386048327.db2.gz AWIYLLKYIQNIRA-RFQIPJPRSA-N 2 1 224.392 2.351 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000414164579 386048330 /nfs/dbraw/zinc/04/83/30/386048330.db2.gz AWIYLLKYIQNIRA-RFQIPJPRSA-N 2 1 224.392 2.351 20 0 BEADMP Cc1cccc(CC[C@@H](C)[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000414885171 386053099 /nfs/dbraw/zinc/05/30/99/386053099.db2.gz ORZGMHQRULMLFI-HIFRSBDPSA-N 2 1 232.371 2.268 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414328835 386123504 /nfs/dbraw/zinc/12/35/04/386123504.db2.gz CTMJQMQISORYRZ-XVIXHAIJSA-N 2 1 248.370 2.454 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cccc(F)c1 ZINC000038040741 386117089 /nfs/dbraw/zinc/11/70/89/386117089.db2.gz ATXSAXSJRYXRDE-SNVBAGLBSA-N 2 1 222.307 2.228 20 0 BEADMP CCc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000414889959 386118688 /nfs/dbraw/zinc/11/86/88/386118688.db2.gz GVPOCCWZUBOCKM-CQSZACIVSA-N 2 1 218.344 2.076 20 0 BEADMP Fc1cccc(C[NH2+][C@H]2CCc3[nH]cnc3C2)c1 ZINC000334443440 386064068 /nfs/dbraw/zinc/06/40/68/386064068.db2.gz DVGVOEVTZBVFDI-LBPRGKRZSA-N 2 1 245.301 2.196 20 0 BEADMP Fc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c(F)c1 ZINC000129218962 386064932 /nfs/dbraw/zinc/06/49/32/386064932.db2.gz NAMMDMPPUPFDLR-GFCCVEGCSA-N 2 1 240.297 2.197 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)CC[C@@H]1[NH3+] ZINC000414653877 386072406 /nfs/dbraw/zinc/07/24/06/386072406.db2.gz FIAUZWUGQSRHIK-OEAJRASXSA-N 2 1 244.382 2.459 20 0 BEADMP CSCCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365402737 386078139 /nfs/dbraw/zinc/07/81/39/386078139.db2.gz KDKJBTJWBCCQHQ-GFCCVEGCSA-N 2 1 230.421 2.156 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CS[C@@H](C)C2)[C@@H](C)C1 ZINC000414228070 386078099 /nfs/dbraw/zinc/07/80/99/386078099.db2.gz LKFNRXSAYISUGH-CYDGBPFRSA-N 2 1 242.432 2.200 20 0 BEADMP COc1ccccc1/C=C/C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414886605 386081119 /nfs/dbraw/zinc/08/11/19/386081119.db2.gz CQQICJVKAZVDDF-YVARQFDVSA-N 2 1 246.354 2.035 20 0 BEADMP COc1ccccc1/C=C\C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414886602 386081266 /nfs/dbraw/zinc/08/12/66/386081266.db2.gz CQQICJVKAZVDDF-SDQPKGBYSA-N 2 1 246.354 2.035 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414659438 386088059 /nfs/dbraw/zinc/08/80/59/386088059.db2.gz SLNZADHNUGWEPX-QEJZJMRPSA-N 2 1 230.355 2.071 20 0 BEADMP c1ccc(C[C@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000647876842 386144967 /nfs/dbraw/zinc/14/49/67/386144967.db2.gz BCUXBKUZSJYEHB-CVEARBPZSA-N 2 1 244.382 2.161 20 0 BEADMP COc1ccc([C@@H]2CCC[N@H+]2CCC[NH3+])cc1 ZINC000414676023 386149156 /nfs/dbraw/zinc/14/91/56/386149156.db2.gz UQKJKCWNJZNAKW-AWEZNQCLSA-N 2 1 234.343 2.181 20 0 BEADMP COC1(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)CCCC1 ZINC000319817727 386168651 /nfs/dbraw/zinc/16/86/51/386168651.db2.gz HYDWTRNFXUBTCX-ZDUSSCGKSA-N 2 1 242.407 2.251 20 0 BEADMP CO[C@H](C)C[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000414691358 386188847 /nfs/dbraw/zinc/18/88/47/386188847.db2.gz BJWMLFVSFYSUIV-MCIONIFRSA-N 2 1 242.407 2.120 20 0 BEADMP C[C@@H]1C[N@H+](C)C[C@H]1NC1(c2ccc(F)cc2)CC1 ZINC000334466105 386126211 /nfs/dbraw/zinc/12/62/11/386126211.db2.gz CYSUPIYGPNLAMM-BXUZGUMPSA-N 2 1 248.345 2.355 20 0 BEADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC1(c2ccc(F)cc2)CC1 ZINC000334466105 386126221 /nfs/dbraw/zinc/12/62/21/386126221.db2.gz CYSUPIYGPNLAMM-BXUZGUMPSA-N 2 1 248.345 2.355 20 0 BEADMP C[C@@H]1C[N@H+](C)C[C@@H]1NC1(c2ccc(F)cc2)CC1 ZINC000334466107 386127352 /nfs/dbraw/zinc/12/73/52/386127352.db2.gz CYSUPIYGPNLAMM-RISCZKNCSA-N 2 1 248.345 2.355 20 0 BEADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC1(c2ccc(F)cc2)CC1 ZINC000334466107 386127357 /nfs/dbraw/zinc/12/73/57/386127357.db2.gz CYSUPIYGPNLAMM-RISCZKNCSA-N 2 1 248.345 2.355 20 0 BEADMP CC[NH+](CC)CCSCCc1c[nH+]cn1C ZINC000287590406 386135646 /nfs/dbraw/zinc/13/56/46/386135646.db2.gz RJEIOFIEKULNBK-UHFFFAOYSA-N 2 1 241.404 2.038 20 0 BEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414344291 386136162 /nfs/dbraw/zinc/13/61/62/386136162.db2.gz ROZOWDLSTJMVRP-QNWHQSFQSA-N 2 1 234.343 2.065 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414344291 386136165 /nfs/dbraw/zinc/13/61/65/386136165.db2.gz ROZOWDLSTJMVRP-QNWHQSFQSA-N 2 1 234.343 2.065 20 0 BEADMP Fc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414891240 386138587 /nfs/dbraw/zinc/13/85/87/386138587.db2.gz WENUPQKYSAAKNW-SOUVJXGZSA-N 2 1 248.345 2.413 20 0 BEADMP c1csc([C@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647872814 386141458 /nfs/dbraw/zinc/14/14/58/386141458.db2.gz WXSJDKSHDPPKIF-VXGBXAGGSA-N 2 1 236.384 2.495 20 0 BEADMP COc1ccc([C@@H](C)[N@@H+](C)C[C@H]2CC[NH2+]C2)cc1 ZINC000647874678 386143074 /nfs/dbraw/zinc/14/30/74/386143074.db2.gz MMPZRICYWGCPKN-OLZOCXBDSA-N 2 1 248.370 2.298 20 0 BEADMP Cc1cc(C)c(C[NH2+]C[C@@H]([NH3+])C2CC2)c(C)c1 ZINC000414896724 386207370 /nfs/dbraw/zinc/20/73/70/386207370.db2.gz PTDILRGYAGRUTE-OAHLLOKOSA-N 2 1 232.371 2.439 20 0 BEADMP CC[C@@](C)([NH2+]CCC[NH3+])c1nc(C)cs1 ZINC000414700575 386208185 /nfs/dbraw/zinc/20/81/85/386208185.db2.gz GFJXGWNIQVSCTJ-LLVKDONJSA-N 2 1 227.377 2.015 20 0 BEADMP Cc1cc(C)cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000131485062 386210414 /nfs/dbraw/zinc/21/04/14/386210414.db2.gz UFOCGSBCMHGCOX-DZGCQCFKSA-N 2 1 232.371 2.473 20 0 BEADMP CCO[C@H]1C[C@@H]([N@@H+](C)CCC[NH3+])C1(CC)CC ZINC000414704073 386216221 /nfs/dbraw/zinc/21/62/21/386216221.db2.gz JEXHXUNDIIFAGS-OLZOCXBDSA-N 2 1 242.407 2.251 20 0 BEADMP CCO[C@@H]1C[C@H]([N@@H+](C)CCC[NH3+])C1(CC)CC ZINC000414704075 386217389 /nfs/dbraw/zinc/21/73/89/386217389.db2.gz JEXHXUNDIIFAGS-QWHCGFSZSA-N 2 1 242.407 2.251 20 0 BEADMP Oc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647882070 386218178 /nfs/dbraw/zinc/21/81/78/386218178.db2.gz HZYHKDVUJAMRDZ-IUODEOHRSA-N 2 1 246.354 2.139 20 0 BEADMP C[C@@H](c1cccnc1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414709938 386224937 /nfs/dbraw/zinc/22/49/37/386224937.db2.gz KPFWMLQJVYFAOH-RDBSUJKOSA-N 2 1 247.386 2.463 20 0 BEADMP c1c2ccccc2oc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320519 386239494 /nfs/dbraw/zinc/23/94/94/386239494.db2.gz YCJPSVRQEIWUCE-BETUJISGSA-N 2 1 242.322 2.084 20 0 BEADMP c1c2ccccc2oc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320519 386239499 /nfs/dbraw/zinc/23/94/99/386239499.db2.gz YCJPSVRQEIWUCE-BETUJISGSA-N 2 1 242.322 2.084 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000347084551 386241318 /nfs/dbraw/zinc/24/13/18/386241318.db2.gz AQRHTURSQQOLON-UIIMQBOASA-N 2 1 234.318 2.120 20 0 BEADMP C[C@@H]1C[N@@H+](CCC[NH3+])CC[C@@H]1c1ccccc1 ZINC000414718843 386249702 /nfs/dbraw/zinc/24/97/02/386249702.db2.gz ZTOKFJGVMVMGRD-HIFRSBDPSA-N 2 1 232.371 2.461 20 0 BEADMP CCCOc1cccc(C[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000414899683 386256683 /nfs/dbraw/zinc/25/66/83/386256683.db2.gz VAXYBUWGEHMLIR-HNNXBMFYSA-N 2 1 248.370 2.302 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@@H]1C[C@@H](OCC)C1(C)C ZINC000414693089 386194025 /nfs/dbraw/zinc/19/40/25/386194025.db2.gz DLNHAMLHEMFOJN-CHWSQXEVSA-N 2 1 242.407 2.251 20 0 BEADMP [NH3+][C@H](C[NH2+]C/C=C/c1ccc(F)cc1)C1CC1 ZINC000414896091 386197207 /nfs/dbraw/zinc/19/72/07/386197207.db2.gz OEAOYHWWBUOWIV-VSZDKKFSSA-N 2 1 234.318 2.166 20 0 BEADMP COCC1(C[NH2+][C@@H](C)C[N@H+](C)C(C)C)CCC1 ZINC000310530310 386197396 /nfs/dbraw/zinc/19/73/96/386197396.db2.gz PSMQAQFBUPLMJD-ZDUSSCGKSA-N 2 1 242.407 2.121 20 0 BEADMP COCC1(C[NH2+][C@@H](C)C[N@@H+](C)C(C)C)CCC1 ZINC000310530310 386197402 /nfs/dbraw/zinc/19/74/02/386197402.db2.gz PSMQAQFBUPLMJD-ZDUSSCGKSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414730039 386281534 /nfs/dbraw/zinc/28/15/34/386281534.db2.gz GIFQTBMEDFWVBL-JYJNAYRXSA-N 2 1 244.382 2.461 20 0 BEADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647886677 386299557 /nfs/dbraw/zinc/29/95/57/386299557.db2.gz IMVIJOYOMSBCBK-IHRRRGAJSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cc(C)c(C[NH2+]C[C@H]([NH3+])C2CC2)cc1C ZINC000414901423 386300051 /nfs/dbraw/zinc/30/00/51/386300051.db2.gz WYWQGYKDNVAYGF-HNNXBMFYSA-N 2 1 232.371 2.439 20 0 BEADMP Cc1cc(C)c(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1C ZINC000414901425 386302487 /nfs/dbraw/zinc/30/24/87/386302487.db2.gz WYWQGYKDNVAYGF-OAHLLOKOSA-N 2 1 232.371 2.439 20 0 BEADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cccn1C ZINC000289459272 386309342 /nfs/dbraw/zinc/30/93/42/386309342.db2.gz OEUSHTNYWPVWAF-UHFFFAOYSA-N 2 1 249.402 2.333 20 0 BEADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccn1C ZINC000289459272 386309349 /nfs/dbraw/zinc/30/93/49/386309349.db2.gz OEUSHTNYWPVWAF-UHFFFAOYSA-N 2 1 249.402 2.333 20 0 BEADMP CC[NH+](CC)CCCNc1[nH+]cnc2[nH]ccc21 ZINC000339235205 386312772 /nfs/dbraw/zinc/31/27/72/386312772.db2.gz NTVMJAAPWNOSNK-UHFFFAOYSA-N 2 1 247.346 2.053 20 0 BEADMP CSCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336682360 386339807 /nfs/dbraw/zinc/33/98/07/386339807.db2.gz RPNOCJGNKIBCKM-ZDUSSCGKSA-N 2 1 242.432 2.013 20 0 BEADMP CSCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000336682360 386339809 /nfs/dbraw/zinc/33/98/09/386339809.db2.gz RPNOCJGNKIBCKM-ZDUSSCGKSA-N 2 1 242.432 2.013 20 0 BEADMP CSCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000336682360 386339814 /nfs/dbraw/zinc/33/98/14/386339814.db2.gz RPNOCJGNKIBCKM-ZDUSSCGKSA-N 2 1 242.432 2.013 20 0 BEADMP C[C@H]1Cc2ccccc2C[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647888080 386343727 /nfs/dbraw/zinc/34/37/27/386343727.db2.gz JXJPGAKMBMLJAO-QWHCGFSZSA-N 2 1 230.355 2.043 20 0 BEADMP C[C@H]1Cc2ccccc2C[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647888081 386345574 /nfs/dbraw/zinc/34/55/74/386345574.db2.gz JXJPGAKMBMLJAO-STQMWFEESA-N 2 1 230.355 2.043 20 0 BEADMP COC1CC([NH2+]CC(C)(C)[NH+]2CCCCC2)C1 ZINC000347306261 386349184 /nfs/dbraw/zinc/34/91/84/386349184.db2.gz RCZYONPNUCMYCJ-UHFFFAOYSA-N 2 1 240.391 2.018 20 0 BEADMP C[N@@H+](CCC1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353157243 386350270 /nfs/dbraw/zinc/35/02/70/386350270.db2.gz ULRCHSPHQABJBW-PBWFPOADSA-N 2 1 222.376 2.344 20 0 BEADMP C[NH+](CCC1CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353157243 386350274 /nfs/dbraw/zinc/35/02/74/386350274.db2.gz ULRCHSPHQABJBW-PBWFPOADSA-N 2 1 222.376 2.344 20 0 BEADMP C[NH+](CCC1CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353157243 386350280 /nfs/dbraw/zinc/35/02/80/386350280.db2.gz ULRCHSPHQABJBW-PBWFPOADSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647889347 386357003 /nfs/dbraw/zinc/35/70/03/386357003.db2.gz JBTNKLCXSKJPCF-FMKPAKJESA-N 2 1 244.382 2.474 20 0 BEADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647889969 386362382 /nfs/dbraw/zinc/36/23/82/386362382.db2.gz CDCZOTCMALWEMK-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP CSCCC[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000336697228 386378006 /nfs/dbraw/zinc/37/80/06/386378006.db2.gz NMQSLYJEPULCSB-GFCCVEGCSA-N 2 1 230.421 2.156 20 0 BEADMP CSCCC[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000336697228 386378011 /nfs/dbraw/zinc/37/80/11/386378011.db2.gz NMQSLYJEPULCSB-GFCCVEGCSA-N 2 1 230.421 2.156 20 0 BEADMP CSCCC[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000336697228 386378014 /nfs/dbraw/zinc/37/80/14/386378014.db2.gz NMQSLYJEPULCSB-GFCCVEGCSA-N 2 1 230.421 2.156 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC3CCCC3)C[C@@H]21 ZINC000230045032 386336289 /nfs/dbraw/zinc/33/62/89/386336289.db2.gz WLFFXPIBHJRZDU-MELADBBJSA-N 2 1 222.376 2.236 20 0 BEADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)C1CC1 ZINC000336733029 386439258 /nfs/dbraw/zinc/43/92/58/386439258.db2.gz JVZRAJSTANHOCT-ZDUSSCGKSA-N 2 1 221.348 2.360 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)COC)C[C@H]1C ZINC000527366090 386447963 /nfs/dbraw/zinc/44/79/63/386447963.db2.gz FQKANPPILBFWEV-MCIONIFRSA-N 2 1 242.407 2.074 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)COC)C[C@H]1C ZINC000527366090 386447967 /nfs/dbraw/zinc/44/79/67/386447967.db2.gz FQKANPPILBFWEV-MCIONIFRSA-N 2 1 242.407 2.074 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)COC)C[C@H]1C ZINC000527366090 386447970 /nfs/dbraw/zinc/44/79/70/386447970.db2.gz FQKANPPILBFWEV-MCIONIFRSA-N 2 1 242.407 2.074 20 0 BEADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC000093216132 386405520 /nfs/dbraw/zinc/40/55/20/386405520.db2.gz IVGUTYMJTSMCKE-RYUDHWBXSA-N 2 1 240.297 2.324 20 0 BEADMP CC(C)(C)[C@H]1CCC[N@@H+](CCOCC[NH3+])CC1 ZINC000093232488 386406913 /nfs/dbraw/zinc/40/69/13/386406913.db2.gz CQNRAQCXWHNVRV-ZDUSSCGKSA-N 2 1 242.407 2.110 20 0 BEADMP c1coc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093450653 386413904 /nfs/dbraw/zinc/41/39/04/386413904.db2.gz FGNAUCRMFISYLH-MELADBBJSA-N 2 1 234.343 2.290 20 0 BEADMP c1ccc(OCCCC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000339405582 386417750 /nfs/dbraw/zinc/41/77/50/386417750.db2.gz CNPDEOKWMPTFPY-UHFFFAOYSA-N 2 1 248.370 2.141 20 0 BEADMP c1ccc(OCCCC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000339405582 386417754 /nfs/dbraw/zinc/41/77/54/386417754.db2.gz CNPDEOKWMPTFPY-UHFFFAOYSA-N 2 1 248.370 2.141 20 0 BEADMP CSCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339426542 386421390 /nfs/dbraw/zinc/42/13/90/386421390.db2.gz NVCSJECGEDQRIK-ZDUSSCGKSA-N 2 1 242.432 2.157 20 0 BEADMP CSCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339426542 386421395 /nfs/dbraw/zinc/42/13/95/386421395.db2.gz NVCSJECGEDQRIK-ZDUSSCGKSA-N 2 1 242.432 2.157 20 0 BEADMP C[N@H+](Cc1ccc(F)c(F)c1)CC(C)(C)C[NH3+] ZINC000093873060 386430915 /nfs/dbraw/zinc/43/09/15/386430915.db2.gz ZSANJUCQAXNVDC-UHFFFAOYSA-N 2 1 242.313 2.382 20 0 BEADMP C[N@@H+](Cc1ccc(F)c(F)c1)CC(C)(C)C[NH3+] ZINC000093873060 386430919 /nfs/dbraw/zinc/43/09/19/386430919.db2.gz ZSANJUCQAXNVDC-UHFFFAOYSA-N 2 1 242.313 2.382 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CC1(C)C ZINC000336743500 386432358 /nfs/dbraw/zinc/43/23/58/386432358.db2.gz PFZVFCINFYGTFE-YVECIDJPSA-N 2 1 224.392 2.493 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CC1(C)C ZINC000336743500 386432362 /nfs/dbraw/zinc/43/23/62/386432362.db2.gz PFZVFCINFYGTFE-YVECIDJPSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)Oc1ccccc1C[N@H+](C)C1CC([NH3+])C1 ZINC000414765837 386434572 /nfs/dbraw/zinc/43/45/72/386434572.db2.gz CRVVPBFFEAZWRS-UHFFFAOYSA-N 2 1 248.370 2.395 20 0 BEADMP CC(C)Oc1ccccc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000414765837 386434576 /nfs/dbraw/zinc/43/45/76/386434576.db2.gz CRVVPBFFEAZWRS-UHFFFAOYSA-N 2 1 248.370 2.395 20 0 BEADMP C[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)[C@H](C)[NH3+] ZINC000415015704 386499208 /nfs/dbraw/zinc/49/92/08/386499208.db2.gz YYRANPXKDRPDHR-DTWKUNHWSA-N 2 1 244.285 2.113 20 0 BEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CC12CC2 ZINC000417331096 386500875 /nfs/dbraw/zinc/50/08/75/386500875.db2.gz BEQNPVDIANGHMU-NSHDSACASA-N 2 1 220.360 2.003 20 0 BEADMP Cc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1Cl ZINC000415014965 386501425 /nfs/dbraw/zinc/50/14/25/386501425.db2.gz MOGCKIWEQVUINL-VHSXEESVSA-N 2 1 226.751 2.474 20 0 BEADMP Cc1ccc(CCC[NH2+][C@H](C[NH3+])C(C)(C)C)cn1 ZINC000415050423 386504850 /nfs/dbraw/zinc/50/48/50/386504850.db2.gz CLTHQULSZQPPEI-CQSZACIVSA-N 2 1 249.402 2.286 20 0 BEADMP CCC[C@H](C)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000415050918 386506838 /nfs/dbraw/zinc/50/68/38/386506838.db2.gz DWPPEYQLAXIPRK-WDEREUQCSA-N 2 1 200.370 2.386 20 0 BEADMP c1c2ccccc2sc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415020943 386512214 /nfs/dbraw/zinc/51/22/14/386512214.db2.gz BFAFPHORJXPFFO-IMRBUKKESA-N 2 1 244.363 2.209 20 0 BEADMP Cc1cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])ccc1Cl ZINC000415024154 386513548 /nfs/dbraw/zinc/51/35/48/386513548.db2.gz YCLTUNZOSPAEDJ-ZJUUUORDSA-N 2 1 226.751 2.474 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415033816 386521014 /nfs/dbraw/zinc/52/10/14/386521014.db2.gz CCAALLDVQFTLCJ-SYQHCUMBSA-N 2 1 222.376 2.106 20 0 BEADMP Cc1ccc(CCC[NH2+][C@@H]2CC[NH2+]C2(C)C)cn1 ZINC000415036961 386523593 /nfs/dbraw/zinc/52/35/93/386523593.db2.gz KTCAITVRIBBDPA-CQSZACIVSA-N 2 1 247.386 2.053 20 0 BEADMP CC(C)CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415041292 386527642 /nfs/dbraw/zinc/52/76/42/386527642.db2.gz LJESLLVSXGLUME-KBPBESRZSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415041294 386527841 /nfs/dbraw/zinc/52/78/41/386527841.db2.gz LJESLLVSXGLUME-KGLIPLIRSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC000415010350 386454684 /nfs/dbraw/zinc/45/46/84/386454684.db2.gz OYWILMCAJZEGFN-GHMZBOCLSA-N 2 1 229.327 2.060 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1F ZINC000094339027 386458433 /nfs/dbraw/zinc/45/84/33/386458433.db2.gz NBEMEEUMRNYEJA-RISCZKNCSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1F ZINC000094339027 386458438 /nfs/dbraw/zinc/45/84/38/386458438.db2.gz NBEMEEUMRNYEJA-RISCZKNCSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1ccncc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000290610980 386459533 /nfs/dbraw/zinc/45/95/33/386459533.db2.gz WNTDCSMGJDHPFZ-DZGCQCFKSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccncc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000290610980 386459537 /nfs/dbraw/zinc/45/95/37/386459537.db2.gz WNTDCSMGJDHPFZ-DZGCQCFKSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccncc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000290610980 386459540 /nfs/dbraw/zinc/45/95/40/386459540.db2.gz WNTDCSMGJDHPFZ-DZGCQCFKSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccncc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000290610980 386459541 /nfs/dbraw/zinc/45/95/41/386459541.db2.gz WNTDCSMGJDHPFZ-DZGCQCFKSA-N 2 1 247.386 2.162 20 0 BEADMP CC[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccn1 ZINC000094918308 386463610 /nfs/dbraw/zinc/46/36/10/386463610.db2.gz CJBKOQSUZAEQTI-UHFFFAOYSA-N 2 1 247.386 2.293 20 0 BEADMP [NH3+]C[C@H]([NH2+]Cc1coc2ccccc12)C1CC1 ZINC000414797275 386579410 /nfs/dbraw/zinc/57/94/10/386579410.db2.gz IMCZSENNHUBYOZ-ZDUSSCGKSA-N 2 1 230.311 2.260 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cccc(Cl)c1 ZINC000414797948 386582063 /nfs/dbraw/zinc/58/20/63/386582063.db2.gz PVRMXYQQZIMZGZ-LBPRGKRZSA-N 2 1 226.751 2.413 20 0 BEADMP Cc1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)c(C)c1 ZINC000414800176 386582796 /nfs/dbraw/zinc/58/27/96/386582796.db2.gz RWOHNIUTDUGOCN-AWEZNQCLSA-N 2 1 220.360 2.376 20 0 BEADMP C[C@@H](CCC(F)(F)F)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414800001 386593362 /nfs/dbraw/zinc/59/33/62/386593362.db2.gz FKMOHXKESBMQOC-CBAPKCEASA-N 2 1 224.270 2.044 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000414799684 386594485 /nfs/dbraw/zinc/59/44/85/386594485.db2.gz YMYPLVJBMANRGJ-MXAVVETBSA-N 2 1 230.355 2.212 20 0 BEADMP C[C@@]1(C[N@H+]2CCCc3ccccc3C2)CC[NH2+]C1 ZINC000062946198 386534571 /nfs/dbraw/zinc/53/45/71/386534571.db2.gz PFPWCMMGWKIOPL-MRXNPFEDSA-N 2 1 244.382 2.434 20 0 BEADMP CC(C)(C)[C@H](CN)[NH2+]Cc1ccc(F)cc1 ZINC000415055819 386537683 /nfs/dbraw/zinc/53/76/83/386537683.db2.gz OXMLNTROWRVISA-LBPRGKRZSA-N 2 1 224.323 2.289 20 0 BEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(F)cc1 ZINC000415055819 386537687 /nfs/dbraw/zinc/53/76/87/386537687.db2.gz OXMLNTROWRVISA-LBPRGKRZSA-N 2 1 224.323 2.289 20 0 BEADMP CC(C)CCC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000415054821 386538254 /nfs/dbraw/zinc/53/82/54/386538254.db2.gz MZJFDVBGWGUQQW-NSHDSACASA-N 2 1 200.370 2.386 20 0 BEADMP COc1ccccc1/C=C\C[NH2+][C@H](C[NH3+])C1CC1 ZINC000414790394 386543601 /nfs/dbraw/zinc/54/36/01/386543601.db2.gz ACXLRYSNICJQGU-KXQLTZBTSA-N 2 1 246.354 2.035 20 0 BEADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C[C@H]1C[C@H]1C ZINC000336755671 386543606 /nfs/dbraw/zinc/54/36/06/386543606.db2.gz XUXMDDFHXMPAKK-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000647995267 386546938 /nfs/dbraw/zinc/54/69/38/386546938.db2.gz KBDZTNJYZDNYPV-XQQFMLRXSA-N 2 1 224.392 2.482 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+]C/C=C/c1ccccc1 ZINC000414791698 386548307 /nfs/dbraw/zinc/54/83/07/386548307.db2.gz IFPGLXGBHHOFRN-VIIAAUOXSA-N 2 1 218.344 2.273 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414791514 386549389 /nfs/dbraw/zinc/54/93/89/386549389.db2.gz BKIGHQLYVKKXJM-RTXFEEFZSA-N 2 1 210.365 2.140 20 0 BEADMP CCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975301 386550960 /nfs/dbraw/zinc/55/09/60/386550960.db2.gz VNNXJHPPAJRXTC-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP [NH3+]C[C@H]([NH2+]Cc1ccc2ncccc2c1)C1CC1 ZINC000414793405 386553721 /nfs/dbraw/zinc/55/37/21/386553721.db2.gz DHSDKHGCBFXZJT-HNNXBMFYSA-N 2 1 241.338 2.062 20 0 BEADMP CCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647974965 386556185 /nfs/dbraw/zinc/55/61/85/386556185.db2.gz DQEKWVANEYFEFO-STQMWFEESA-N 2 1 210.365 2.108 20 0 BEADMP CC1(C)CCC([NH2+][C@@H](C[NH3+])C2CC2)CC1 ZINC000414793850 386558186 /nfs/dbraw/zinc/55/81/86/386558186.db2.gz FEQRPIOHPXIZMZ-LBPRGKRZSA-N 2 1 210.365 2.282 20 0 BEADMP Cn1ccnc1[C@@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC000365647735 386572443 /nfs/dbraw/zinc/57/24/43/386572443.db2.gz FGBUONIYSRQSAQ-JOAKQRRISA-N 2 1 239.750 2.352 20 0 BEADMP Cn1ccnc1[C@@H]1CCCN(C/C=C/Cl)C1 ZINC000365647735 386572446 /nfs/dbraw/zinc/57/24/46/386572446.db2.gz FGBUONIYSRQSAQ-JOAKQRRISA-N 2 1 239.750 2.352 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CCCC23CC3)CC1 ZINC000520253854 386621670 /nfs/dbraw/zinc/62/16/70/386621670.db2.gz BJSNHHODIWMUIL-ZDUSSCGKSA-N 2 1 222.376 2.393 20 0 BEADMP CSc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000414808288 386624972 /nfs/dbraw/zinc/62/49/72/386624972.db2.gz SCMRLXBHEQASGO-ZDUSSCGKSA-N 2 1 236.384 2.235 20 0 BEADMP CCc1ccc(CC[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000442759903 386631146 /nfs/dbraw/zinc/63/11/46/386631146.db2.gz SPXRBCGITHWYBN-CZUORRHYSA-N 2 1 246.398 2.461 20 0 BEADMP C[C@@H](C[NH2+][C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000414815735 386651786 /nfs/dbraw/zinc/65/17/86/386651786.db2.gz UVESCBWTHWORTC-FZMZJTMJSA-N 2 1 218.344 2.117 20 0 BEADMP C[C@H](CCc1ccccc1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414817099 386652062 /nfs/dbraw/zinc/65/20/62/386652062.db2.gz ZECXBKPBDMNUFC-IUODEOHRSA-N 2 1 232.371 2.335 20 0 BEADMP Cc1ccccc1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414805458 386602581 /nfs/dbraw/zinc/60/25/81/386602581.db2.gz YNGVFQLZQOMYEZ-ZDUSSCGKSA-N 2 1 206.333 2.068 20 0 BEADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OC)cc1 ZINC000414805416 386602922 /nfs/dbraw/zinc/60/29/22/386602922.db2.gz OXVRIEXKVSWPGW-UHFFFAOYSA-N 2 1 236.359 2.302 20 0 BEADMP C[C@@]1(C[NH2+]Cc2cc(F)ccc2F)CC[NH2+]C1 ZINC000415086598 386605930 /nfs/dbraw/zinc/60/59/30/386605930.db2.gz UVGRWVLVYLWOQX-CYBMUJFWSA-N 2 1 240.297 2.054 20 0 BEADMP Cc1cscc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000335489979 386606931 /nfs/dbraw/zinc/60/69/31/386606931.db2.gz ANEVWMOGXFNLQN-MNOVXSKESA-N 2 1 210.346 2.026 20 0 BEADMP C[C@@H](C[NH2+][C@@H](C[NH3+])C1CC1)c1ccc(F)cc1 ZINC000414807470 386617863 /nfs/dbraw/zinc/61/78/63/386617863.db2.gz OCGFIJJNBZSFDH-HZMBPMFUSA-N 2 1 236.334 2.256 20 0 BEADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414817363 386655419 /nfs/dbraw/zinc/65/54/19/386655419.db2.gz ZJZCRUCZHLRXAR-HZMBPMFUSA-N 2 1 236.334 2.084 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414926738 386665412 /nfs/dbraw/zinc/66/54/12/386665412.db2.gz KPEXQJQOSIPSRW-HONMWMINSA-N 2 1 236.334 2.399 20 0 BEADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000414926222 386670238 /nfs/dbraw/zinc/67/02/38/386670238.db2.gz KNKVSHXAUWTNJW-GZBFAFLISA-N 2 1 232.371 2.378 20 0 BEADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000414821364 386676382 /nfs/dbraw/zinc/67/63/82/386676382.db2.gz DVKRWCCGCAGNHM-OLZOCXBDSA-N 2 1 210.365 2.154 20 0 BEADMP CC(C)C[C@@H](C)C[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC000414927965 386707393 /nfs/dbraw/zinc/70/73/93/386707393.db2.gz MVMAEHHTIVLGQB-IJLUTSLNSA-N 2 1 200.370 2.384 20 0 BEADMP COc1ccc(C[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000414836021 386730426 /nfs/dbraw/zinc/73/04/26/386730426.db2.gz FALXFNRJQXWTLY-UHFFFAOYSA-N 2 1 248.370 2.446 20 0 BEADMP C[NH2+]CCN[C@H](C)CCc1ccc(C)cc1 ZINC000414836127 386730707 /nfs/dbraw/zinc/73/07/07/386730707.db2.gz VSKJRSAHAJBIJU-CYBMUJFWSA-N 2 1 220.360 2.125 20 0 BEADMP C[NH2+]CC[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC000414836127 386730713 /nfs/dbraw/zinc/73/07/13/386730713.db2.gz VSKJRSAHAJBIJU-CYBMUJFWSA-N 2 1 220.360 2.125 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000122316946 386740521 /nfs/dbraw/zinc/74/05/21/386740521.db2.gz VYKQNWNZIKLTBF-JSGCOSHPSA-N 2 1 218.344 2.164 20 0 BEADMP CCNCC[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000414836187 386731465 /nfs/dbraw/zinc/73/14/65/386731465.db2.gz VUYJMKNMHVLEED-QWHCGFSZSA-N 2 1 220.360 2.378 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000414836187 386731471 /nfs/dbraw/zinc/73/14/71/386731471.db2.gz VUYJMKNMHVLEED-QWHCGFSZSA-N 2 1 220.360 2.378 20 0 BEADMP CC(C)CC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000414929485 386735549 /nfs/dbraw/zinc/73/55/49/386735549.db2.gz NYUJBOPHJMTHRI-RWMBFGLXSA-N 2 1 212.381 2.399 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414929690 386739621 /nfs/dbraw/zinc/73/96/21/386739621.db2.gz OXOOBEMRXSSOGI-BPLDGKMQSA-N 2 1 232.371 2.434 20 0 BEADMP CCC[C@H](Cc1ccccc1)[NH2+]CC[NH2+]C ZINC000414833609 386713410 /nfs/dbraw/zinc/71/34/10/386713410.db2.gz SQIQISZPGPHAMI-CQSZACIVSA-N 2 1 220.360 2.207 20 0 BEADMP C[NH2+]CC[NH2+][C@H](C)Cc1ccccc1SC ZINC000414831983 386716100 /nfs/dbraw/zinc/71/61/00/386716100.db2.gz QLFSVRXFYPJPLK-LLVKDONJSA-N 2 1 238.400 2.149 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1F ZINC000335641157 386764356 /nfs/dbraw/zinc/76/43/56/386764356.db2.gz RPNRNJIEOCCMNO-WCQYABFASA-N 2 1 236.334 2.364 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000414932252 386770462 /nfs/dbraw/zinc/77/04/62/386770462.db2.gz QVUWSIHYHLYEBM-VOAKCMCISA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H](C[NH3+])[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000414935978 386818038 /nfs/dbraw/zinc/81/80/38/386818038.db2.gz BKZZARXNULKGQO-ZJUUUORDSA-N 2 1 226.751 2.380 20 0 BEADMP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H](C)C[NH3+] ZINC000414934734 386799985 /nfs/dbraw/zinc/79/99/85/386799985.db2.gz AIOCRYMVIUVZNO-GXTWGEPZSA-N 2 1 220.360 2.253 20 0 BEADMP Cc1cccc(CC[C@H](C)[NH2+][C@H](C)C[NH3+])c1 ZINC000414934364 386801194 /nfs/dbraw/zinc/80/11/94/386801194.db2.gz VGAJVNCWXBIAEC-QWHCGFSZSA-N 2 1 220.360 2.253 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000414846176 386810231 /nfs/dbraw/zinc/81/02/31/386810231.db2.gz UFLLRBNQJSZIAG-VIFPVBQESA-N 2 1 244.741 2.424 20 0 BEADMP C[C@H](C[NH2+][C@H]1CCCc2occc21)C[NH+](C)C ZINC000293303869 386811238 /nfs/dbraw/zinc/81/12/38/386811238.db2.gz DUUJJINORAYINU-YPMHNXCESA-N 2 1 236.359 2.444 20 0 BEADMP C[C@H](CCC(F)(F)F)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000414936457 386833744 /nfs/dbraw/zinc/83/37/44/386833744.db2.gz UXVWMGDEXDIMON-AEJSXWLSSA-N 2 1 238.297 2.305 20 0 BEADMP C[C@H]1Cc2ccccc2C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000334784449 386841847 /nfs/dbraw/zinc/84/18/47/386841847.db2.gz MDDJVTCGPAZOEP-KBPBESRZSA-N 2 1 244.382 2.433 20 0 BEADMP CC[C@@H](C)[C@H](C)[N@@H+](CCC[NH2+]C)C1CC1 ZINC000336674210 386841817 /nfs/dbraw/zinc/84/18/17/386841817.db2.gz KBVBWKQULVASRN-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP CS[C@H]1CC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000425340273 386841841 /nfs/dbraw/zinc/84/18/41/386841841.db2.gz ADDNZANJGNKEFR-OLZOCXBDSA-N 2 1 242.432 2.344 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000334784859 386845286 /nfs/dbraw/zinc/84/52/86/386845286.db2.gz DHEQWBFMELFNHI-JTQLQIEISA-N 2 1 248.301 2.353 20 0 BEADMP CC1(C)CCC[C@H]1[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000334846673 386893601 /nfs/dbraw/zinc/89/36/01/386893601.db2.gz KJMGVFZSTAGMBP-GHMZBOCLSA-N 2 1 246.345 2.400 20 0 BEADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)C[NH3+] ZINC000414942312 386900836 /nfs/dbraw/zinc/90/08/36/386900836.db2.gz KAHFQHWKMGQGAG-ZJUUUORDSA-N 2 1 226.751 2.208 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000358158250 386902732 /nfs/dbraw/zinc/90/27/32/386902732.db2.gz NKOPDLWPCXJRTE-ZBFHGGJFSA-N 2 1 246.398 2.467 20 0 BEADMP CCc1ccccc1C[N@@H+]1CCC[NH2+]CC1 ZINC000052204648 386903435 /nfs/dbraw/zinc/90/34/35/386903435.db2.gz WUBWYEMHHWCKMI-UHFFFAOYSA-N 2 1 218.344 2.044 20 0 BEADMP CCc1ccccc1C[N@H+]1CCC[NH2+]CC1 ZINC000052204648 386903439 /nfs/dbraw/zinc/90/34/39/386903439.db2.gz WUBWYEMHHWCKMI-UHFFFAOYSA-N 2 1 218.344 2.044 20 0 BEADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000334857865 386910299 /nfs/dbraw/zinc/91/02/99/386910299.db2.gz PNQYGSNRRLWTLR-TVQRCGJNSA-N 2 1 240.297 2.052 20 0 BEADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@H]1CCCSC1 ZINC000334867111 386924243 /nfs/dbraw/zinc/92/42/43/386924243.db2.gz ZWSDIWNCBHNYCW-NWDGAFQWSA-N 2 1 242.432 2.250 20 0 BEADMP CC(C)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000334867368 386926230 /nfs/dbraw/zinc/92/62/30/386926230.db2.gz CVXUKJKHQOJTEK-OLZOCXBDSA-N 2 1 210.365 2.106 20 0 BEADMP CS[C@@H]1CC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000425355356 386965592 /nfs/dbraw/zinc/96/55/92/386965592.db2.gz OLOFRQRUVYTMGE-NWDGAFQWSA-N 2 1 239.388 2.065 20 0 BEADMP C[N@H+](Cc1ccc(Cl)c(F)c1)C1CC([NH3+])C1 ZINC000395204769 386988707 /nfs/dbraw/zinc/98/87/07/386988707.db2.gz HIHYMRNFVYKTPP-UHFFFAOYSA-N 2 1 242.725 2.401 20 0 BEADMP C[N@@H+](Cc1ccc(Cl)c(F)c1)C1CC([NH3+])C1 ZINC000395204769 386988710 /nfs/dbraw/zinc/98/87/10/386988710.db2.gz HIHYMRNFVYKTPP-UHFFFAOYSA-N 2 1 242.725 2.401 20 0 BEADMP CCC[C@H](C)C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000353013075 386990486 /nfs/dbraw/zinc/99/04/86/386990486.db2.gz YZCYITHVUYGPIK-MJBXVCDLSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000353013075 386990491 /nfs/dbraw/zinc/99/04/91/386990491.db2.gz YZCYITHVUYGPIK-MJBXVCDLSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000353013075 386990495 /nfs/dbraw/zinc/99/04/95/386990495.db2.gz YZCYITHVUYGPIK-MJBXVCDLSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000353013075 386990499 /nfs/dbraw/zinc/99/04/99/386990499.db2.gz YZCYITHVUYGPIK-MJBXVCDLSA-N 2 1 224.392 2.449 20 0 BEADMP CSC1(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000367317257 386991910 /nfs/dbraw/zinc/99/19/10/386991910.db2.gz JGDWBFHHAGTCBX-GFCCVEGCSA-N 2 1 242.432 2.298 20 0 BEADMP C[N@H+](Cc1ccc2c(c1)CCC2)[C@@H](CN)C1CC1 ZINC000160042488 387040773 /nfs/dbraw/zinc/04/07/73/387040773.db2.gz VUBGBFSPYDFGPP-INIZCTEOSA-N 2 1 244.382 2.344 20 0 BEADMP C[N@H+](Cc1ccc2c(c1)CCC2)[C@@H](C[NH3+])C1CC1 ZINC000160042488 387040781 /nfs/dbraw/zinc/04/07/81/387040781.db2.gz VUBGBFSPYDFGPP-INIZCTEOSA-N 2 1 244.382 2.344 20 0 BEADMP C[N@@H+](Cc1ccc2c(c1)CCC2)[C@@H](C[NH3+])C1CC1 ZINC000160042488 387040783 /nfs/dbraw/zinc/04/07/83/387040783.db2.gz VUBGBFSPYDFGPP-INIZCTEOSA-N 2 1 244.382 2.344 20 0 BEADMP NC[C@H]1CCC[N@@H+]1CCCc1cccc(F)c1 ZINC000019933270 387062487 /nfs/dbraw/zinc/06/24/87/387062487.db2.gz QFMBINGKRPGWKG-CQSZACIVSA-N 2 1 236.334 2.181 20 0 BEADMP NC[C@H]1CCC[N@H+]1CCCc1cccc(F)c1 ZINC000019933270 387062489 /nfs/dbraw/zinc/06/24/89/387062489.db2.gz QFMBINGKRPGWKG-CQSZACIVSA-N 2 1 236.334 2.181 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+]1CCCc1cccc(F)c1 ZINC000019933270 387062492 /nfs/dbraw/zinc/06/24/92/387062492.db2.gz QFMBINGKRPGWKG-CQSZACIVSA-N 2 1 236.334 2.181 20 0 BEADMP [NH3+]C[C@H]1CCC[N@H+]1CCCc1cccc(F)c1 ZINC000019933270 387062494 /nfs/dbraw/zinc/06/24/94/387062494.db2.gz QFMBINGKRPGWKG-CQSZACIVSA-N 2 1 236.334 2.181 20 0 BEADMP NC[C@@H]1CCC[N@@H+]1CCCc1cccc(F)c1 ZINC000019933268 387063733 /nfs/dbraw/zinc/06/37/33/387063733.db2.gz QFMBINGKRPGWKG-AWEZNQCLSA-N 2 1 236.334 2.181 20 0 BEADMP NC[C@@H]1CCC[N@H+]1CCCc1cccc(F)c1 ZINC000019933268 387063738 /nfs/dbraw/zinc/06/37/38/387063738.db2.gz QFMBINGKRPGWKG-AWEZNQCLSA-N 2 1 236.334 2.181 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@@H+]1CCCc1cccc(F)c1 ZINC000019933268 387063740 /nfs/dbraw/zinc/06/37/40/387063740.db2.gz QFMBINGKRPGWKG-AWEZNQCLSA-N 2 1 236.334 2.181 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@H+]1CCCc1cccc(F)c1 ZINC000019933268 387063745 /nfs/dbraw/zinc/06/37/45/387063745.db2.gz QFMBINGKRPGWKG-AWEZNQCLSA-N 2 1 236.334 2.181 20 0 BEADMP C(C1CCC1)[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000334983475 387070107 /nfs/dbraw/zinc/07/01/07/387070107.db2.gz MRKFJDNIHQLZGQ-KBPBESRZSA-N 2 1 222.376 2.251 20 0 BEADMP COCc1cccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000126930337 387074238 /nfs/dbraw/zinc/07/42/38/387074238.db2.gz SABPAEWTOLOIJM-DOMZBBRYSA-N 2 1 248.370 2.002 20 0 BEADMP CSc1ccccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000334995445 387086154 /nfs/dbraw/zinc/08/61/54/387086154.db2.gz FFUZVLJEUWHCJW-BETUJISGSA-N 2 1 248.395 2.060 20 0 BEADMP CSc1ccccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000334995445 387086158 /nfs/dbraw/zinc/08/61/58/387086158.db2.gz FFUZVLJEUWHCJW-BETUJISGSA-N 2 1 248.395 2.060 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000335028901 387122201 /nfs/dbraw/zinc/12/22/01/387122201.db2.gz ZSNJXHFXILSWEH-GJZGRUSLSA-N 2 1 247.386 2.448 20 0 BEADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]C1CCOCC1 ZINC000186736709 387129625 /nfs/dbraw/zinc/12/96/25/387129625.db2.gz FMPVQUMRTZIVRU-ZDUSSCGKSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000423342933 387192287 /nfs/dbraw/zinc/19/22/87/387192287.db2.gz ZNQZXEBOOWLPFV-PELKAZGASA-N 2 1 224.735 2.264 20 0 BEADMP C[C@@H](F)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353152870 387145887 /nfs/dbraw/zinc/14/58/87/387145887.db2.gz JIGMYRSTGGQOEQ-FKJOKYEKSA-N 2 1 228.355 2.292 20 0 BEADMP C[C@@H](F)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353152870 387145892 /nfs/dbraw/zinc/14/58/92/387145892.db2.gz JIGMYRSTGGQOEQ-FKJOKYEKSA-N 2 1 228.355 2.292 20 0 BEADMP C[C@@H](F)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353152870 387145897 /nfs/dbraw/zinc/14/58/97/387145897.db2.gz JIGMYRSTGGQOEQ-FKJOKYEKSA-N 2 1 228.355 2.292 20 0 BEADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)c(C)c1 ZINC000423310392 387146531 /nfs/dbraw/zinc/14/65/31/387146531.db2.gz AGBDJPXRLJLEQB-IAQYHMDHSA-N 2 1 248.370 2.392 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423312839 387151638 /nfs/dbraw/zinc/15/16/38/387151638.db2.gz DUQKZPYQMLQLAQ-SMDDNHRTSA-N 2 1 218.344 2.383 20 0 BEADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423313549 387152004 /nfs/dbraw/zinc/15/20/04/387152004.db2.gz FUROPOUOCKGDCS-CQDKDKBSSA-N 2 1 248.370 2.090 20 0 BEADMP CCOc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423314450 387154782 /nfs/dbraw/zinc/15/47/82/387154782.db2.gz HHEYXHDDOAXAHW-XHDPSFHLSA-N 2 1 248.370 2.473 20 0 BEADMP [NH3+][C@@H](C[NH2+][C@H]1CCCc2c(O)cccc21)C1CC1 ZINC000423315197 387154977 /nfs/dbraw/zinc/15/49/77/387154977.db2.gz IRNMWXMMVNIUNZ-KBPBESRZSA-N 2 1 246.354 2.097 20 0 BEADMP C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000400440971 387155644 /nfs/dbraw/zinc/15/56/44/387155644.db2.gz MIHPCQKEAXYIGY-YPMHNXCESA-N 2 1 208.349 2.217 20 0 BEADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)C[NH3+])[C@@H](C)C2 ZINC000423315640 387157218 /nfs/dbraw/zinc/15/72/18/387157218.db2.gz ACYZFOPSEBLXPQ-MISXGVKJSA-N 2 1 218.344 2.165 20 0 BEADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H](C)C[NH3+] ZINC000423320936 387162624 /nfs/dbraw/zinc/16/26/24/387162624.db2.gz HAYKVJULAOCKMS-YGRLFVJLSA-N 2 1 248.370 2.354 20 0 BEADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccs1 ZINC000423320619 387163244 /nfs/dbraw/zinc/16/32/44/387163244.db2.gz MILUONLIOZTOFN-WPRPVWTQSA-N 2 1 210.346 2.136 20 0 BEADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)C[NH3+])CCC2 ZINC000423322007 387165197 /nfs/dbraw/zinc/16/51/97/387165197.db2.gz IIOGVCSUSAIZSQ-YGRLFVJLSA-N 2 1 234.343 2.009 20 0 BEADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(OC)c1 ZINC000423321675 387165926 /nfs/dbraw/zinc/16/59/26/387165926.db2.gz NKKLTVFQNFBEHP-LSDHHAIUSA-N 2 1 248.370 2.473 20 0 BEADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H](C)C[NH3+])C1 ZINC000423331292 387176459 /nfs/dbraw/zinc/17/64/59/387176459.db2.gz QCCZDNQLKOMPCN-MGPQQGTHSA-N 2 1 247.386 2.353 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000423333991 387179977 /nfs/dbraw/zinc/17/99/77/387179977.db2.gz SBRBRHTUFNLAKG-NEPJUHHUSA-N 2 1 220.360 2.290 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000571842979 387180585 /nfs/dbraw/zinc/18/05/85/387180585.db2.gz YUXDJVKZWFCMJM-AAVRWANBSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000571842979 387180587 /nfs/dbraw/zinc/18/05/87/387180587.db2.gz YUXDJVKZWFCMJM-AAVRWANBSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000571842979 387180599 /nfs/dbraw/zinc/18/05/99/387180599.db2.gz YUXDJVKZWFCMJM-AAVRWANBSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000571842984 387181000 /nfs/dbraw/zinc/18/10/00/387181000.db2.gz YUXDJVKZWFCMJM-SYQHCUMBSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000571842984 387181002 /nfs/dbraw/zinc/18/10/02/387181002.db2.gz YUXDJVKZWFCMJM-SYQHCUMBSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000571842984 387181007 /nfs/dbraw/zinc/18/10/07/387181007.db2.gz YUXDJVKZWFCMJM-SYQHCUMBSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000423336928 387184541 /nfs/dbraw/zinc/18/45/41/387184541.db2.gz URZBGRRHZTZXKT-NOZJJQNGSA-N 2 1 222.307 2.140 20 0 BEADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccccn1 ZINC000423338057 387186373 /nfs/dbraw/zinc/18/63/73/387186373.db2.gz KMRAMTOZFVRBFS-JSGCOSHPSA-N 2 1 233.359 2.122 20 0 BEADMP CC[C@@H]([NH2+][C@H](C)C[NH3+])c1cccc(OC)c1 ZINC000423341569 387190214 /nfs/dbraw/zinc/19/02/14/387190214.db2.gz YHRUBJVDFQGHLA-ZWNOBZJWSA-N 2 1 222.332 2.083 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000423302269 387135048 /nfs/dbraw/zinc/13/50/48/387135048.db2.gz VGDXJOYFKRWNDP-BFHYXJOUSA-N 2 1 242.407 2.299 20 0 BEADMP C[C@H](C[NH3+])[NH2+]Cc1csc2ccccc12 ZINC000162020090 387139899 /nfs/dbraw/zinc/13/98/99/387139899.db2.gz AIPUWJDBMHZUNO-SECBINFHSA-N 2 1 220.341 2.338 20 0 BEADMP CCc1cccnc1[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423354998 387206154 /nfs/dbraw/zinc/20/61/54/387206154.db2.gz DOJXHNKFRNIBFF-GXTWGEPZSA-N 2 1 247.386 2.437 20 0 BEADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423356316 387207495 /nfs/dbraw/zinc/20/74/95/387207495.db2.gz GMWBLFFMPZZJOB-MROQNXINSA-N 2 1 210.365 2.153 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@H](C)C[NH3+])c(C)c1 ZINC000162025936 387207710 /nfs/dbraw/zinc/20/77/10/387207710.db2.gz PXWHEVDHEXYJCT-GFCCVEGCSA-N 2 1 206.333 2.049 20 0 BEADMP C[C@@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)C1CCCC1 ZINC000423356934 387208566 /nfs/dbraw/zinc/20/85/66/387208566.db2.gz HORFQNQLUJELDP-WZRBSPASSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000423360860 387212541 /nfs/dbraw/zinc/21/25/41/387212541.db2.gz LRIDZLKLTOJQDZ-KSTCHIGDSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423364684 387215370 /nfs/dbraw/zinc/21/53/70/387215370.db2.gz OXQMUTHSRIGVJI-NDBYEHHHSA-N 2 1 224.392 2.399 20 0 BEADMP CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1cccc(F)c1 ZINC000423362929 387215630 /nfs/dbraw/zinc/21/56/30/387215630.db2.gz INMTXBLGRFBPDC-JOYOIKCWSA-N 2 1 210.296 2.214 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000423366433 387217590 /nfs/dbraw/zinc/21/75/90/387217590.db2.gz LKWIVSCCVISRJL-QPUJVOFHSA-N 2 1 224.735 2.264 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000423369274 387220476 /nfs/dbraw/zinc/22/04/76/387220476.db2.gz OAKSTQRNDXNQNM-UBHSHLNASA-N 2 1 218.344 2.260 20 0 BEADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cccc(O)c1 ZINC000423369124 387220572 /nfs/dbraw/zinc/22/05/72/387220572.db2.gz SLSSQESLUHABLC-WCQYABFASA-N 2 1 234.343 2.185 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000423369272 387220803 /nfs/dbraw/zinc/22/08/03/387220803.db2.gz OAKSTQRNDXNQNM-FPMFFAJLSA-N 2 1 218.344 2.260 20 0 BEADMP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)C[NH3+])C12CCCCC2 ZINC000423369803 387223296 /nfs/dbraw/zinc/22/32/96/387223296.db2.gz OSELUCJGJXTKJE-XQQFMLRXSA-N 2 1 240.391 2.051 20 0 BEADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C[NH3+])C1 ZINC000423400254 387234745 /nfs/dbraw/zinc/23/47/45/387234745.db2.gz QCCZDNQLKOMPCN-BFHYXJOUSA-N 2 1 247.386 2.353 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423400214 387235226 /nfs/dbraw/zinc/23/52/26/387235226.db2.gz QARNTNGNXSYQTE-SCRDCRAPSA-N 2 1 233.359 2.045 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCS2)CC[N@H+]1C ZINC000120398846 387237759 /nfs/dbraw/zinc/23/77/59/387237759.db2.gz SPGWQVHLELUAQB-UPJWGTAASA-N 2 1 242.432 2.344 20 0 BEADMP CCc1[nH+]ccn1C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000572117686 387237776 /nfs/dbraw/zinc/23/77/76/387237776.db2.gz ACZPFDQIEBRRBE-LBPRGKRZSA-N 2 1 247.317 2.327 20 0 BEADMP CCc1cccnc1[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423409722 387245893 /nfs/dbraw/zinc/24/58/93/387245893.db2.gz ZBPUVVLANGQORM-OBJOEFQTSA-N 2 1 247.386 2.293 20 0 BEADMP Cc1cccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1C ZINC000423418711 387248611 /nfs/dbraw/zinc/24/86/11/387248611.db2.gz ACMHFOUBIGJQIQ-RZFFKMDDSA-N 2 1 230.355 2.172 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2c1cccc2C ZINC000423462646 387310992 /nfs/dbraw/zinc/31/09/92/387310992.db2.gz KXURSSDJWFTFHS-SMDDNHRTSA-N 2 1 218.344 2.309 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000423463473 387311384 /nfs/dbraw/zinc/31/13/84/387311384.db2.gz LGERMCGMVQEJBK-GXSJLCMTSA-N 2 1 240.322 2.222 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(C)s1 ZINC000423466312 387314571 /nfs/dbraw/zinc/31/45/71/387314571.db2.gz NJIWPFITFLWVNU-NXEZZACHSA-N 2 1 212.362 2.444 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H](CC)c1ccccc1 ZINC000423467664 387314864 /nfs/dbraw/zinc/31/48/64/387314864.db2.gz NZKSLINVPWGMBA-STQMWFEESA-N 2 1 206.333 2.465 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc21 ZINC000423429449 387254564 /nfs/dbraw/zinc/25/45/64/387254564.db2.gz LLXHREMCCYGZFJ-CEVLRCNZSA-N 2 1 228.339 2.042 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cncc(F)c1 ZINC000423376211 387257785 /nfs/dbraw/zinc/25/77/85/387257785.db2.gz KWJTWNQQFFHKKU-GBIKHYSHSA-N 2 1 237.322 2.012 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000423376716 387258039 /nfs/dbraw/zinc/25/80/39/387258039.db2.gz YMNQBTMLBFVBSO-CABNGKKXSA-N 2 1 222.376 2.153 20 0 BEADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C[NH3+])CCC2 ZINC000423379931 387261521 /nfs/dbraw/zinc/26/15/21/387261521.db2.gz YGGYOKCKILVYFZ-FZMZJTMJSA-N 2 1 218.344 2.309 20 0 BEADMP Cc1ccncc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423380300 387262665 /nfs/dbraw/zinc/26/26/65/387262665.db2.gz NSKCPINZBOMLJV-FRRDWIJNSA-N 2 1 233.359 2.181 20 0 BEADMP COCCC[C@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423379715 387263351 /nfs/dbraw/zinc/26/33/51/387263351.db2.gz GUBIERMILJOULR-QWHCGFSZSA-N 2 1 242.407 2.169 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000423390840 387276374 /nfs/dbraw/zinc/27/63/74/387276374.db2.gz KOYQBQRMLSSAPL-QWRGUYRKSA-N 2 1 232.327 2.301 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCCNc2ccccc21 ZINC000423431791 387283565 /nfs/dbraw/zinc/28/35/65/387283565.db2.gz AYKRRPMFIHKPEY-MJVIPROJSA-N 2 1 233.359 2.259 20 0 BEADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])CC2 ZINC000423433333 387284139 /nfs/dbraw/zinc/28/41/39/387284139.db2.gz CDFWBGOGGGEWDB-ISTVAULSSA-N 2 1 234.343 2.008 20 0 BEADMP CC[NH2+]CCC[NH2+][C@H]1CCCc2cccnc21 ZINC000643499217 387286575 /nfs/dbraw/zinc/28/65/75/387286575.db2.gz IUSVXWYCCPDLHO-ZDUSSCGKSA-N 2 1 233.359 2.048 20 0 BEADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc2c(c1)CCC2 ZINC000423437388 387287747 /nfs/dbraw/zinc/28/77/47/387287747.db2.gz QKDSLRXYIJWACA-MZORAGNBSA-N 2 1 242.366 2.044 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)[C@H](C)[NH3+] ZINC000423441056 387291005 /nfs/dbraw/zinc/29/10/05/387291005.db2.gz JASVGWNHYFOLKF-IGJMFERPSA-N 2 1 222.307 2.138 20 0 BEADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])CC2 ZINC000423444742 387294849 /nfs/dbraw/zinc/29/48/49/387294849.db2.gz MAHDNQYZFZZLCD-UHIISALHSA-N 2 1 218.344 2.308 20 0 BEADMP COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000423444329 387295302 /nfs/dbraw/zinc/29/53/02/387295302.db2.gz LQJNOSZLFLLFDU-CWSCBRNRSA-N 2 1 234.343 2.008 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000423447424 387298224 /nfs/dbraw/zinc/29/82/24/387298224.db2.gz OZKLNTJBNJPXND-YCWTYVPXSA-N 2 1 236.334 2.384 20 0 BEADMP CCc1nc(C)c([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])s1 ZINC000423454706 387301055 /nfs/dbraw/zinc/30/10/55/387301055.db2.gz ZKVMYDMEVSYLOR-YIZRAAEISA-N 2 1 241.404 2.400 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1sccc1C ZINC000423456870 387303262 /nfs/dbraw/zinc/30/32/62/387303262.db2.gz DVHRYAXNBAMWHE-VHSXEESVSA-N 2 1 212.362 2.444 20 0 BEADMP CC[C@H](Cc1cccs1)[NH2+][C@H]1CC[NH2+]C1 ZINC000643499682 387303546 /nfs/dbraw/zinc/30/35/46/387303546.db2.gz AKDZHEDOUHJVBZ-MNOVXSKESA-N 2 1 224.373 2.021 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2c1cccc2F ZINC000423456108 387303663 /nfs/dbraw/zinc/30/36/63/387303663.db2.gz DEYMDEIHPOPXHA-ZANVPECISA-N 2 1 222.307 2.140 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000423461478 387308734 /nfs/dbraw/zinc/30/87/34/387308734.db2.gz JROGTFGCBCJKNT-FPMFFAJLSA-N 2 1 236.359 2.090 20 0 BEADMP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])c(C)c1 ZINC000423480630 387360703 /nfs/dbraw/zinc/36/07/03/387360703.db2.gz WHERPHHILWSSGO-UTUOFQBUSA-N 2 1 236.359 2.390 20 0 BEADMP CC[N@H+](CCCc1c[nH+]cn1C)CC1CCC1 ZINC000515308260 387363486 /nfs/dbraw/zinc/36/34/86/387363486.db2.gz ICSYWUPDWDINFD-UHFFFAOYSA-N 2 1 235.375 2.475 20 0 BEADMP CC[N@@H+](CCCc1c[nH+]cn1C)CC1CCC1 ZINC000515308260 387363492 /nfs/dbraw/zinc/36/34/92/387363492.db2.gz ICSYWUPDWDINFD-UHFFFAOYSA-N 2 1 235.375 2.475 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](OC)CC1 ZINC000372796283 387328404 /nfs/dbraw/zinc/32/84/04/387328404.db2.gz BSYAWGPEPPWVFK-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000423483425 387328717 /nfs/dbraw/zinc/32/87/17/387328717.db2.gz XTSJWOUEDPKQBP-KWBADKCTSA-N 2 1 234.343 2.095 20 0 BEADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1C[C@@H]1C ZINC000321951514 387329206 /nfs/dbraw/zinc/32/92/06/387329206.db2.gz WXPPKSGZQDMQBF-YUTCNCBUSA-N 2 1 222.376 2.273 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C2CC2)C1 ZINC000372804157 387329598 /nfs/dbraw/zinc/32/95/98/387329598.db2.gz FCLMTGTURVWWRY-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000423484562 387330729 /nfs/dbraw/zinc/33/07/29/387330729.db2.gz YPCSRQUIAQIQGV-DOMZBBRYSA-N 2 1 248.370 2.400 20 0 BEADMP C[C@H](C[NH3+])[NH2+]Cc1ccc2ccccc2c1 ZINC000162056152 387332405 /nfs/dbraw/zinc/33/24/05/387332405.db2.gz FBFVZQWBRPJVES-LLVKDONJSA-N 2 1 214.312 2.277 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)[C@H](C)[NH3+] ZINC000423485233 387332521 /nfs/dbraw/zinc/33/25/21/387332521.db2.gz YZHXZBPHSOAWGU-IMSIIYSGSA-N 2 1 234.343 2.095 20 0 BEADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)C1CC1 ZINC000423508468 387345120 /nfs/dbraw/zinc/34/51/20/387345120.db2.gz QVRATTDTMDBVPK-QWHCGFSZSA-N 2 1 210.365 2.282 20 0 BEADMP c1cnc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000643501131 387349037 /nfs/dbraw/zinc/34/90/37/387349037.db2.gz VMFDHUKTBMYNIJ-TZMCWYRMSA-N 2 1 245.370 2.048 20 0 BEADMP Cc1ccncc1CCC[N@H+]1CCC[C@@H](O)CC1 ZINC000354750980 387427541 /nfs/dbraw/zinc/42/75/41/387427541.db2.gz XAFLVTKPUJQMRD-OAHLLOKOSA-N 2 1 248.370 2.169 20 0 BEADMP C[C@@H]([NH2+]CC[NH2+]C1CC1)C1C(C)(C)C1(C)C ZINC000643506786 387462277 /nfs/dbraw/zinc/46/22/77/387462277.db2.gz IKSROUZAMVTXTP-SNVBAGLBSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@H]1CC([NH2+]CC[NH2+]C2CC2)C[C@H](C)C1 ZINC000643506744 387459397 /nfs/dbraw/zinc/45/93/97/387459397.db2.gz HGQKRQHALLEVMZ-GHMZBOCLSA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)c1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])on1 ZINC000643455249 387390581 /nfs/dbraw/zinc/39/05/81/387390581.db2.gz PFHAQBOSRYNVFU-NXEZZACHSA-N 2 1 225.336 2.013 20 0 BEADMP CC[C@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000082847469 387392492 /nfs/dbraw/zinc/39/24/92/387392492.db2.gz SQEJTPZAELNHKX-YNEHKIRRSA-N 2 1 210.365 2.297 20 0 BEADMP Cc1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)cc[nH+]1 ZINC000162716993 387518131 /nfs/dbraw/zinc/51/81/31/387518131.db2.gz NVPHLFLLKLXRPP-LBPRGKRZSA-N 2 1 231.343 2.286 20 0 BEADMP CC(C)C(C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C(C)C ZINC000375312190 387526923 /nfs/dbraw/zinc/52/69/23/387526923.db2.gz ZMTGNLRSFVRNRG-OKILXGFUSA-N 2 1 238.419 2.408 20 0 BEADMP CC(C)C(C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)C(C)C ZINC000375312190 387526927 /nfs/dbraw/zinc/52/69/27/387526927.db2.gz ZMTGNLRSFVRNRG-OKILXGFUSA-N 2 1 238.419 2.408 20 0 BEADMP CC(C)C(C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)C(C)C ZINC000375312190 387526932 /nfs/dbraw/zinc/52/69/32/387526932.db2.gz ZMTGNLRSFVRNRG-OKILXGFUSA-N 2 1 238.419 2.408 20 0 BEADMP NC[C@H]1CCC[N@H+]1CCCCC1CCOCC1 ZINC000310065496 387533470 /nfs/dbraw/zinc/53/34/70/387533470.db2.gz PUFIUIVXNANTFD-CQSZACIVSA-N 2 1 240.391 2.006 20 0 BEADMP [NH3+]C[C@H]1CCC[N@H+]1CCCCC1CCOCC1 ZINC000310065496 387533479 /nfs/dbraw/zinc/53/34/79/387533479.db2.gz PUFIUIVXNANTFD-CQSZACIVSA-N 2 1 240.391 2.006 20 0 BEADMP CN(CC[C@@H]1CCCC[N@H+]1C)CC1(F)CC1 ZINC000527220174 387536537 /nfs/dbraw/zinc/53/65/37/387536537.db2.gz FUNFWDXEJJUQEY-LBPRGKRZSA-N 2 1 228.355 2.295 20 0 BEADMP C[C@H]1CCC[C@H](C)C1[NH2+]CC[NH2+]C1CC1 ZINC000643506665 387462624 /nfs/dbraw/zinc/46/26/24/387462624.db2.gz DUVWDFHESYKZQN-QWRGUYRKSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCSC2)CC[N@H+]1C ZINC000304332838 387467532 /nfs/dbraw/zinc/46/75/32/387467532.db2.gz AOMXGNCCYIVOQJ-FRRDWIJNSA-N 2 1 242.432 2.202 20 0 BEADMP C(C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1)[NH2+]C1CC1 ZINC000643507068 387474468 /nfs/dbraw/zinc/47/44/68/387474468.db2.gz RBWQRYYJHSCZRN-TZMCWYRMSA-N 2 1 222.376 2.297 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+]CC[NH2+]C2CC2)[C@@H]1C ZINC000643507677 387479259 /nfs/dbraw/zinc/47/92/59/387479259.db2.gz MIRJMYADFRQVLF-WZRBSPASSA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507790 387479482 /nfs/dbraw/zinc/47/94/82/387479482.db2.gz PPVRZWCQUAPLFP-NWDGAFQWSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH2+]CC[NH2+]C2CC2)[C@@H]1C ZINC000643507675 387479684 /nfs/dbraw/zinc/47/96/84/387479684.db2.gz MIRJMYADFRQVLF-NQBHXWOUSA-N 2 1 210.365 2.153 20 0 BEADMP CC[C@H]1CCCC[C@@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507766 387480704 /nfs/dbraw/zinc/48/07/04/387480704.db2.gz PBAZKKZVOOQBQF-AAEUAGOBSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]([NH2+]CCOC1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000400725163 387591488 /nfs/dbraw/zinc/59/14/88/387591488.db2.gz PEEICWPWVONAFS-TZMCWYRMSA-N 2 1 240.391 2.066 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCc2ccccc2C1)C1CC1 ZINC000643512848 387596427 /nfs/dbraw/zinc/59/64/27/387596427.db2.gz DGEWECCOQOHZGN-CVEARBPZSA-N 2 1 244.382 2.261 20 0 BEADMP [NH3+][C@@H](C[NH2+]Cc1cccc(C2CC2)c1)C1CC1 ZINC000422552950 387598363 /nfs/dbraw/zinc/59/83/63/387598363.db2.gz IUGNXSYNEHAHPD-HNNXBMFYSA-N 2 1 230.355 2.391 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(C2CC2)c1 ZINC000422551351 387598745 /nfs/dbraw/zinc/59/87/45/387598745.db2.gz DKJLINGCUANIPC-QWRGUYRKSA-N 2 1 218.344 2.389 20 0 BEADMP Cc1nccn1CCC[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000430266680 387603468 /nfs/dbraw/zinc/60/34/68/387603468.db2.gz YLRVFINZTFIUEM-GFCCVEGCSA-N 2 1 233.359 2.480 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000430266680 387603474 /nfs/dbraw/zinc/60/34/74/387603474.db2.gz YLRVFINZTFIUEM-GFCCVEGCSA-N 2 1 233.359 2.480 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000430266680 387603479 /nfs/dbraw/zinc/60/34/79/387603479.db2.gz YLRVFINZTFIUEM-GFCCVEGCSA-N 2 1 233.359 2.480 20 0 BEADMP COCCCCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422640733 387610777 /nfs/dbraw/zinc/61/07/77/387610777.db2.gz WAARMPRBJJSJSQ-MCIONIFRSA-N 2 1 242.407 2.108 20 0 BEADMP C[C@@H]([NH2+]CC(C)(C)C)c1c[nH+]ccc1N ZINC000422705777 387621877 /nfs/dbraw/zinc/62/18/77/387621877.db2.gz SEAVIQZJCCYADZ-SECBINFHSA-N 2 1 207.321 2.191 20 0 BEADMP CCc1ccc(CC[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000430543800 387627159 /nfs/dbraw/zinc/62/71/59/387627159.db2.gz MXROTKQIJBOGKS-OAHLLOKOSA-N 2 1 232.371 2.215 20 0 BEADMP CCc1ccc(CC[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000430543800 387627160 /nfs/dbraw/zinc/62/71/60/387627160.db2.gz MXROTKQIJBOGKS-OAHLLOKOSA-N 2 1 232.371 2.215 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)nc1 ZINC000399681349 387565062 /nfs/dbraw/zinc/56/50/62/387565062.db2.gz QMRKWKXDZGXPJN-HIFRSBDPSA-N 2 1 247.386 2.005 20 0 BEADMP FCCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000377153638 387694693 /nfs/dbraw/zinc/69/46/93/387694693.db2.gz JZISHNCEROWBPW-ZDUSSCGKSA-N 2 1 228.355 2.154 20 0 BEADMP CCOc1cccc(C[N@H+](C)CCC[NH2+]C)c1 ZINC000124743903 387630571 /nfs/dbraw/zinc/63/05/71/387630571.db2.gz BWONXYNBVJTVQV-UHFFFAOYSA-N 2 1 236.359 2.127 20 0 BEADMP CCOc1cccc(C[N@@H+](C)CCC[NH2+]C)c1 ZINC000124743903 387630575 /nfs/dbraw/zinc/63/05/75/387630575.db2.gz BWONXYNBVJTVQV-UHFFFAOYSA-N 2 1 236.359 2.127 20 0 BEADMP CSC1(C[N@H+]2CC[C@H](C[NH+](C)C)C2)CCC1 ZINC000356227410 387630740 /nfs/dbraw/zinc/63/07/40/387630740.db2.gz VEGMQBUCIHFOJQ-GFCCVEGCSA-N 2 1 242.432 2.156 20 0 BEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCCC1 ZINC000422732542 387641537 /nfs/dbraw/zinc/64/15/37/387641537.db2.gz OXOGQAMYXNNCMU-WFASDCNBSA-N 2 1 232.371 2.477 20 0 BEADMP COc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422737590 387646548 /nfs/dbraw/zinc/64/65/48/387646548.db2.gz ZXKWVJGEFIKYNL-CABCVRRESA-N 2 1 248.370 2.445 20 0 BEADMP Cc1c2ccccc2oc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422740938 387648856 /nfs/dbraw/zinc/64/88/56/387648856.db2.gz CQFXVRZBBOYCKK-LLVKDONJSA-N 2 1 244.338 2.439 20 0 BEADMP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422765536 387666066 /nfs/dbraw/zinc/66/60/66/387666066.db2.gz QUNNGYQJEJTONA-YVECIDJPSA-N 2 1 242.432 2.248 20 0 BEADMP CC[C@@H](COC)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000125971575 387670308 /nfs/dbraw/zinc/67/03/08/387670308.db2.gz MIOZSOGTWIPLKV-KGLIPLIRSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@H]([NH2+]CCOC1CCCC1)c1c[nH+]ccc1N ZINC000422771534 387670793 /nfs/dbraw/zinc/67/07/93/387670793.db2.gz VVNCAZUYZKARRT-NSHDSACASA-N 2 1 249.358 2.104 20 0 BEADMP CC[C@H]([NH2+]CCOCCC(C)C)[C@@H]1CCC[NH2+]1 ZINC000422776212 387672547 /nfs/dbraw/zinc/67/25/47/387672547.db2.gz CFRRLKFYNJFUMV-KBPBESRZSA-N 2 1 242.407 2.169 20 0 BEADMP CCOc1ccccc1[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000422780046 387678860 /nfs/dbraw/zinc/67/88/60/387678860.db2.gz JSCTURAHVSQZIM-GFCCVEGCSA-N 2 1 248.370 2.488 20 0 BEADMP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422782187 387681791 /nfs/dbraw/zinc/68/17/91/387681791.db2.gz JNXBMIXBICHWIF-VXGBXAGGSA-N 2 1 248.370 2.262 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3cccnc32)CC[NH2+]1 ZINC000643526173 387748992 /nfs/dbraw/zinc/74/89/92/387748992.db2.gz RUDCHOOVYGMSGO-KWCYVHTRSA-N 2 1 245.370 2.189 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000128575562 387749948 /nfs/dbraw/zinc/74/99/48/387749948.db2.gz BFUFXEOXHDCMMA-OAHLLOKOSA-N 2 1 248.345 2.497 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCCS1)c1c[nH+]ccc1N ZINC000422874304 387751486 /nfs/dbraw/zinc/75/14/86/387751486.db2.gz NHTBYVDBEDVVBE-ZJUUUORDSA-N 2 1 237.372 2.040 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000643525768 387751846 /nfs/dbraw/zinc/75/18/46/387751846.db2.gz FBBSEPCXVSRNCL-IUCAKERBSA-N 2 1 212.724 2.338 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CC12CC2 ZINC000527845769 387752270 /nfs/dbraw/zinc/75/22/70/387752270.db2.gz JKJFMHBZOWMRJY-BXUZGUMPSA-N 2 1 234.387 2.391 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC1CCCC1 ZINC000422800327 387698125 /nfs/dbraw/zinc/69/81/25/387698125.db2.gz BGJBJGGAVZXAPC-WCQYABFASA-N 2 1 210.365 2.154 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1CCCC1 ZINC000422800325 387698210 /nfs/dbraw/zinc/69/82/10/387698210.db2.gz BGJBJGGAVZXAPC-AAEUAGOBSA-N 2 1 210.365 2.154 20 0 BEADMP CC[C@H](F)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000440794354 387702640 /nfs/dbraw/zinc/70/26/40/387702640.db2.gz YWIRSZCHBBCMLD-AGIUHOORSA-N 2 1 228.355 2.151 20 0 BEADMP CC[C@H](F)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000440794354 387702645 /nfs/dbraw/zinc/70/26/45/387702645.db2.gz YWIRSZCHBBCMLD-AGIUHOORSA-N 2 1 228.355 2.151 20 0 BEADMP CC[C@H](F)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000440794354 387702650 /nfs/dbraw/zinc/70/26/50/387702650.db2.gz YWIRSZCHBBCMLD-AGIUHOORSA-N 2 1 228.355 2.151 20 0 BEADMP CC[C@H](F)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000440794354 387702656 /nfs/dbraw/zinc/70/26/56/387702656.db2.gz YWIRSZCHBBCMLD-AGIUHOORSA-N 2 1 228.355 2.151 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])c(C)c1 ZINC000643525874 387755119 /nfs/dbraw/zinc/75/51/19/387755119.db2.gz GOPODUKNSPUQRI-NEPJUHHUSA-N 2 1 206.333 2.301 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])c(C)c1 ZINC000643525876 387755175 /nfs/dbraw/zinc/75/51/75/387755175.db2.gz GOPODUKNSPUQRI-RYUDHWBXSA-N 2 1 206.333 2.301 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCCSC1)[C@@H]1CCCC[NH2+]1 ZINC000422816924 387714799 /nfs/dbraw/zinc/71/47/99/387714799.db2.gz GMCNBOHMFLGPMO-UTUOFQBUSA-N 2 1 228.405 2.002 20 0 BEADMP c1cn(CCC[N@H+]2CCC[C@H](C3CC3)C2)cn1 ZINC000377589437 387730289 /nfs/dbraw/zinc/73/02/89/387730289.db2.gz GZBYFCVPFNWCOW-AWEZNQCLSA-N 2 1 233.359 2.395 20 0 BEADMP CCC1(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CCC1 ZINC000422854314 387738439 /nfs/dbraw/zinc/73/84/39/387738439.db2.gz UCKZHHSWJSXYPP-RYUDHWBXSA-N 2 1 210.365 2.154 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cscn1 ZINC000643524115 387738581 /nfs/dbraw/zinc/73/85/81/387738581.db2.gz KHAJQEQZQBKIPF-IVZWLZJFSA-N 2 1 225.361 2.064 20 0 BEADMP C(C1CCC1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000441453698 387761922 /nfs/dbraw/zinc/76/19/22/387761922.db2.gz YGTSRUVTCKGYCU-AWEZNQCLSA-N 2 1 222.376 2.204 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000643527105 387762850 /nfs/dbraw/zinc/76/28/50/387762850.db2.gz DAPZOIULUCGSOY-MFKMUULPSA-N 2 1 218.344 2.346 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000643527531 387765174 /nfs/dbraw/zinc/76/51/74/387765174.db2.gz OFGAILHCUQNNHB-NOZJJQNGSA-N 2 1 222.307 2.140 20 0 BEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CC12CC2 ZINC000527877282 387767875 /nfs/dbraw/zinc/76/78/75/387767875.db2.gz UAZNILIGSXCKSY-YPMHNXCESA-N 2 1 220.360 2.027 20 0 BEADMP CC[N@H+](C[C@H](C)[NH3+])[C@@H](C)c1cccc(OC)c1 ZINC000442653426 387812168 /nfs/dbraw/zinc/81/21/68/387812168.db2.gz VYFIFWSOBMQLLS-RYUDHWBXSA-N 2 1 236.359 2.425 20 0 BEADMP CC[N@@H+](C[C@H](C)[NH3+])[C@@H](C)c1cccc(OC)c1 ZINC000442653426 387812170 /nfs/dbraw/zinc/81/21/70/387812170.db2.gz VYFIFWSOBMQLLS-RYUDHWBXSA-N 2 1 236.359 2.425 20 0 BEADMP CCCC1(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422929202 387781448 /nfs/dbraw/zinc/78/14/48/387781448.db2.gz ORNWFJURQGSDNM-VXGBXAGGSA-N 2 1 210.365 2.154 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CC2CC=CC2)CC[N@H+]1C ZINC000527945550 387781550 /nfs/dbraw/zinc/78/15/50/387781550.db2.gz SGIYLIYGBRAERS-WCQYABFASA-N 2 1 208.349 2.025 20 0 BEADMP CCC[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432424866 387788838 /nfs/dbraw/zinc/78/88/38/387788838.db2.gz KEYPZWMOGLYQDQ-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432424866 387788842 /nfs/dbraw/zinc/78/88/42/387788842.db2.gz KEYPZWMOGLYQDQ-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000422980290 387791178 /nfs/dbraw/zinc/79/11/78/387791178.db2.gz LJBARCUUJVEAGC-HIFRSBDPSA-N 2 1 232.371 2.125 20 0 BEADMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)Oc1ccccc1 ZINC000422980140 387792348 /nfs/dbraw/zinc/79/23/48/387792348.db2.gz KZIDMKTVSVYNAZ-YDHLFZDLSA-N 2 1 248.370 2.184 20 0 BEADMP C[C@@H](CC[N@H+]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000050245563 387794608 /nfs/dbraw/zinc/79/46/08/387794608.db2.gz KRYJPHUVKDNLFB-UONOGXRCSA-N 2 1 232.371 2.461 20 0 BEADMP CC[N@H+](C[C@H](C)[NH3+])[C@H](C)c1cccc(OC)c1 ZINC000442653425 387813053 /nfs/dbraw/zinc/81/30/53/387813053.db2.gz VYFIFWSOBMQLLS-NWDGAFQWSA-N 2 1 236.359 2.425 20 0 BEADMP CC[N@@H+](C[C@H](C)[NH3+])[C@H](C)c1cccc(OC)c1 ZINC000442653425 387813057 /nfs/dbraw/zinc/81/30/57/387813057.db2.gz VYFIFWSOBMQLLS-NWDGAFQWSA-N 2 1 236.359 2.425 20 0 BEADMP c1ccc([C@@H]2CC[C@@H]([NH2+][C@@H]3CC[NH2+]C3)C2)cc1 ZINC000422987301 387798217 /nfs/dbraw/zinc/79/82/17/387798217.db2.gz IEUFMSZRTZBVRI-RBSFLKMASA-N 2 1 230.355 2.274 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)[C@H]1CCC[NH2+]1 ZINC000422994601 387803247 /nfs/dbraw/zinc/80/32/47/387803247.db2.gz VWEOONVUFKEQAU-GMTAPVOTSA-N 2 1 232.318 2.294 20 0 BEADMP C[C@H]([NH2+]CCCc1ccccn1)[C@@H]1CCCC[NH2+]1 ZINC000423001085 387805174 /nfs/dbraw/zinc/80/51/74/387805174.db2.gz WJOQEWUNPAWVCY-ZFWWWQNUSA-N 2 1 247.386 2.134 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422952043 387806632 /nfs/dbraw/zinc/80/66/32/387806632.db2.gz BKXJXRBHMZLXST-CYDGBPFRSA-N 2 1 210.365 2.153 20 0 BEADMP COc1cccc(C2([NH2+]C3CC[NH2+]CC3)CC2)c1 ZINC000422954465 387809861 /nfs/dbraw/zinc/80/98/61/387809861.db2.gz HOVCTEBRXNZNAD-UHFFFAOYSA-N 2 1 246.354 2.026 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CC12CC2 ZINC000527852996 387757008 /nfs/dbraw/zinc/75/70/08/387757008.db2.gz SAOAJRMNZLNELG-FQUUOJAGSA-N 2 1 234.387 2.391 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CC12CC2 ZINC000527852996 387757017 /nfs/dbraw/zinc/75/70/17/387757017.db2.gz SAOAJRMNZLNELG-FQUUOJAGSA-N 2 1 234.387 2.391 20 0 BEADMP C(C1CCC1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000441453700 387761549 /nfs/dbraw/zinc/76/15/49/387761549.db2.gz YGTSRUVTCKGYCU-CQSZACIVSA-N 2 1 222.376 2.204 20 0 BEADMP CC(C)CSCCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423009562 387834129 /nfs/dbraw/zinc/83/41/29/387834129.db2.gz DJALZZCDZUMZMM-OLZOCXBDSA-N 2 1 244.448 2.353 20 0 BEADMP Cc1ccsc1CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423012675 387837059 /nfs/dbraw/zinc/83/70/59/387837059.db2.gz DMLHVQBHBGFRHW-CMPLNLGQSA-N 2 1 238.400 2.187 20 0 BEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@@H]1CCc2ccc(F)cc21 ZINC000442779848 387839364 /nfs/dbraw/zinc/83/93/64/387839364.db2.gz JQVCJFMBVCIOKL-UEKVPHQBSA-N 2 1 248.345 2.482 20 0 BEADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000442797509 387842059 /nfs/dbraw/zinc/84/20/59/387842059.db2.gz FILYVAHYYKAPHM-RFGFWPKPSA-N 2 1 240.391 2.016 20 0 BEADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000442797509 387842063 /nfs/dbraw/zinc/84/20/63/387842063.db2.gz FILYVAHYYKAPHM-RFGFWPKPSA-N 2 1 240.391 2.016 20 0 BEADMP CS[C@H](C[NH2+][C@H]1C[NH2+]CC[C@@H]1C)C(C)(C)C ZINC000423027837 387844784 /nfs/dbraw/zinc/84/47/84/387844784.db2.gz FDHIDYMNKJBXRC-SDDRHHMPSA-N 2 1 244.448 2.352 20 0 BEADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1C[C@H]1C ZINC000322025154 387856452 /nfs/dbraw/zinc/85/64/52/387856452.db2.gz LAXQQBIBALMDSD-RTXFEEFZSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@H]([NH2+]C1(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000423049679 387857121 /nfs/dbraw/zinc/85/71/21/387857121.db2.gz KFIMTNOUTZJWND-DZGCQCFKSA-N 2 1 244.382 2.492 20 0 BEADMP CCCCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193637702 387858550 /nfs/dbraw/zinc/85/85/50/387858550.db2.gz LCWIIJHJRKECNK-BETUJISGSA-N 2 1 210.365 2.060 20 0 BEADMP Cc1ccc(CC[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000193616137 387859976 /nfs/dbraw/zinc/85/99/76/387859976.db2.gz XIJNHZXHAJFTHR-IYBDPMFKSA-N 2 1 244.382 2.031 20 0 BEADMP Cc1ccc(CC[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193616137 387859979 /nfs/dbraw/zinc/85/99/79/387859979.db2.gz XIJNHZXHAJFTHR-IYBDPMFKSA-N 2 1 244.382 2.031 20 0 BEADMP C[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)C(F)(F)F ZINC000423051310 387860189 /nfs/dbraw/zinc/86/01/89/387860189.db2.gz NBLXFDIHFHFVIH-HTQZYQBOSA-N 2 1 247.264 2.343 20 0 BEADMP C[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)C(F)(F)F ZINC000423051313 387860355 /nfs/dbraw/zinc/86/03/55/387860355.db2.gz NBLXFDIHFHFVIH-YUMQZZPRSA-N 2 1 247.264 2.343 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1C[C@H]1C ZINC000322068557 387874700 /nfs/dbraw/zinc/87/47/00/387874700.db2.gz SECLLWXUOXFXOR-POQQGIQPSA-N 2 1 224.392 2.493 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1C[C@H]1C ZINC000322068557 387874703 /nfs/dbraw/zinc/87/47/03/387874703.db2.gz SECLLWXUOXFXOR-POQQGIQPSA-N 2 1 224.392 2.493 20 0 BEADMP C[C@H]([NH2+]CCCC(F)(F)F)c1c[nH+]ccc1N ZINC000422963724 387814685 /nfs/dbraw/zinc/81/46/85/387814685.db2.gz GRLMPCHHCVBDRH-QMMMGPOBSA-N 2 1 247.264 2.487 20 0 BEADMP C[C@H]1CCCC[C@H]1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194536177 387890532 /nfs/dbraw/zinc/89/05/32/387890532.db2.gz KRVZXGLBXOSOMF-ZQDZILKHSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@H]1CCCC[C@H]1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194536177 387890536 /nfs/dbraw/zinc/89/05/36/387890536.db2.gz KRVZXGLBXOSOMF-ZQDZILKHSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@H]1CCCC[C@H]1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000194536177 387890540 /nfs/dbraw/zinc/89/05/40/387890540.db2.gz KRVZXGLBXOSOMF-ZQDZILKHSA-N 2 1 236.403 2.306 20 0 BEADMP CC1=CCC[C@H](C)[C@H]1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194543034 387891961 /nfs/dbraw/zinc/89/19/61/387891961.db2.gz ADKJSMTXAOIOAS-JONQDZQNSA-N 2 1 248.414 2.472 20 0 BEADMP CC1=CCC[C@H](C)[C@H]1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194543034 387891966 /nfs/dbraw/zinc/89/19/66/387891966.db2.gz ADKJSMTXAOIOAS-JONQDZQNSA-N 2 1 248.414 2.472 20 0 BEADMP CC1=CCC[C@H](C)[C@H]1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000194543034 387891970 /nfs/dbraw/zinc/89/19/70/387891970.db2.gz ADKJSMTXAOIOAS-JONQDZQNSA-N 2 1 248.414 2.472 20 0 BEADMP C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)[C@@H]1CCCC[NH2+]1 ZINC000643460407 387875236 /nfs/dbraw/zinc/87/52/36/387875236.db2.gz ZYXDZLHLFCCFAZ-NFAWXSAZSA-N 2 1 247.386 2.305 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])c(C)n1 ZINC000643539851 387881223 /nfs/dbraw/zinc/88/12/23/387881223.db2.gz DPVOLNCOJYZGBL-NHCYSSNCSA-N 2 1 221.348 2.085 20 0 BEADMP CC(C)SCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423099113 387886662 /nfs/dbraw/zinc/88/66/62/387886662.db2.gz AIQLQCDHBQZNHV-SNVBAGLBSA-N 2 1 239.388 2.286 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1c[nH+]ccc1N ZINC000423126726 387904976 /nfs/dbraw/zinc/90/49/76/387904976.db2.gz OQEGATQCHPJKEQ-AEJSXWLSSA-N 2 1 223.295 2.035 20 0 BEADMP COCC(C)(C)CCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423133095 387910151 /nfs/dbraw/zinc/91/01/51/387910151.db2.gz VIGPLBVWFFEPBP-STQMWFEESA-N 2 1 242.407 2.027 20 0 BEADMP C[C@@]1(C[NH2+][C@H]2CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423135962 387914417 /nfs/dbraw/zinc/91/44/17/387914417.db2.gz OTFYMFDQGKDVFQ-KKUMJFAQSA-N 2 1 230.355 2.132 20 0 BEADMP C=Cc1ccc(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000423139522 387915921 /nfs/dbraw/zinc/91/59/21/387915921.db2.gz LAQHEVZJPRNSPZ-CJNGLKHVSA-N 2 1 244.382 2.460 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000423138040 387916133 /nfs/dbraw/zinc/91/61/33/387916133.db2.gz RUMXLBMWUSBFSW-YPMHNXCESA-N 2 1 224.392 2.400 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC(C)(F)F ZINC000423150806 387929716 /nfs/dbraw/zinc/92/97/16/387929716.db2.gz ZFWJNPWJKNPYEQ-ZJUUUORDSA-N 2 1 220.307 2.009 20 0 BEADMP CC[C@@H]([NH2+]C1CC(C)(F)C1)[C@H]1CCCC[NH2+]1 ZINC000423144902 387920835 /nfs/dbraw/zinc/92/08/35/387920835.db2.gz IGECKRFHQYLHCX-QZQSVVMZSA-N 2 1 228.355 2.387 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000423150058 387928019 /nfs/dbraw/zinc/92/80/19/387928019.db2.gz YOKGPIHKTNRGQV-IJLUTSLNSA-N 2 1 246.345 2.400 20 0 BEADMP CCSCC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424287483 387952163 /nfs/dbraw/zinc/95/21/63/387952163.db2.gz IWKOADFTNLDQRV-GFCCVEGCSA-N 2 1 242.432 2.204 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)CC[N@H+]1C ZINC000424287754 387953367 /nfs/dbraw/zinc/95/33/67/387953367.db2.gz HWUZDLKXFKCEFO-MXAVVETBSA-N 2 1 236.403 2.495 20 0 BEADMP CN(C)c1ccccc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424289142 387953438 /nfs/dbraw/zinc/95/34/38/387953438.db2.gz LSWZQOMJOIWAPB-ZIAGYGMSSA-N 2 1 247.386 2.112 20 0 BEADMP C[C@H](CCC[NH3+])[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000423161417 387943704 /nfs/dbraw/zinc/94/37/04/387943704.db2.gz NUOBNXWEWZNJFC-OLZOCXBDSA-N 2 1 242.432 2.333 20 0 BEADMP CC[C@H](C)[C@@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)OC ZINC000423162857 387945446 /nfs/dbraw/zinc/94/54/46/387945446.db2.gz UJTVRSBOZBRCOD-REWJHTLYSA-N 2 1 242.407 2.168 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@@H]1C ZINC000321097757 387947914 /nfs/dbraw/zinc/94/79/14/387947914.db2.gz OKQWFHGOOLBSSH-VIRABCJISA-N 2 1 236.403 2.495 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423172603 387959643 /nfs/dbraw/zinc/95/96/43/387959643.db2.gz UIDACVXTIHHOPG-LPWJVIDDSA-N 2 1 210.365 2.009 20 0 BEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CC1(C)C ZINC000423171930 387959669 /nfs/dbraw/zinc/95/96/69/387959669.db2.gz QNULUENBKBLQMY-XBFCOCLRSA-N 2 1 232.371 2.333 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423172601 387960001 /nfs/dbraw/zinc/96/00/01/387960001.db2.gz UIDACVXTIHHOPG-FDYHWXHSSA-N 2 1 210.365 2.009 20 0 BEADMP C[C@H]([NH2+]CC[NH3+])c1cccc(C2CC2)c1 ZINC000423177008 387962080 /nfs/dbraw/zinc/96/20/80/387962080.db2.gz DJOOQQDTTOYKOZ-JTQLQIEISA-N 2 1 204.317 2.173 20 0 BEADMP C[C@@H]1CCC[C@@H](C)C1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423178355 387964871 /nfs/dbraw/zinc/96/48/71/387964871.db2.gz BVSARIMGGQNNGK-UTUOFQBUSA-N 2 1 210.365 2.153 20 0 BEADMP CCC[C@@H](CCc1ccccc1)[NH2+]CC[NH3+] ZINC000423179201 387966138 /nfs/dbraw/zinc/96/61/38/387966138.db2.gz JEHUPNHYELTJBW-AWEZNQCLSA-N 2 1 220.360 2.336 20 0 BEADMP CC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)cn1 ZINC000423179652 387966218 /nfs/dbraw/zinc/96/62/18/387966218.db2.gz HVTOQPIEGRIDFO-GFCCVEGCSA-N 2 1 237.322 2.013 20 0 BEADMP CCC[C@H](CCc1ccccc1)[NH2+]CC[NH3+] ZINC000423179202 387966493 /nfs/dbraw/zinc/96/64/93/387966493.db2.gz JEHUPNHYELTJBW-CQSZACIVSA-N 2 1 220.360 2.336 20 0 BEADMP CCC1CC([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000423181783 387967281 /nfs/dbraw/zinc/96/72/81/387967281.db2.gz CZVOBVDGXYZIRV-UHFFFAOYSA-N 2 1 247.386 2.340 20 0 BEADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)[C@H]1C[C@H]1C ZINC000423182842 387967547 /nfs/dbraw/zinc/96/75/47/387967547.db2.gz FSXTYXNHVXYYQY-NFAWXSAZSA-N 2 1 247.386 2.195 20 0 BEADMP CCSCC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000158877178 387968919 /nfs/dbraw/zinc/96/89/19/387968919.db2.gz UQOJWWHVUCJWGA-UHFFFAOYSA-N 2 1 230.421 2.156 20 0 BEADMP CCSCC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000158877178 387968923 /nfs/dbraw/zinc/96/89/23/387968923.db2.gz UQOJWWHVUCJWGA-UHFFFAOYSA-N 2 1 230.421 2.156 20 0 BEADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423186045 387970204 /nfs/dbraw/zinc/97/02/04/387970204.db2.gz JWCQKRMKPLXLAF-GRYCIOLGSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C1C(C)(C)C1(C)C ZINC000423186548 387971746 /nfs/dbraw/zinc/97/17/46/387971746.db2.gz KIHMYDYUHUSUNI-MNOVXSKESA-N 2 1 224.392 2.399 20 0 BEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000423171131 387957781 /nfs/dbraw/zinc/95/77/81/387957781.db2.gz ZLTDTRIZLHKGGM-IGQOVBAYSA-N 2 1 240.391 2.063 20 0 BEADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccncc1 ZINC000453067925 387978785 /nfs/dbraw/zinc/97/87/85/387978785.db2.gz SFIQSVDKJLMBDD-UKRRQHHQSA-N 2 1 247.386 2.464 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000245739376 387979914 /nfs/dbraw/zinc/97/99/14/387979914.db2.gz LLAYEOXJBXUEQP-KGLIPLIRSA-N 2 1 222.376 2.226 20 0 BEADMP C[C@H]([NH2+]CC(C)(C)c1cccnc1)[C@@H]1CCC[NH2+]1 ZINC000423196321 387981303 /nfs/dbraw/zinc/98/13/03/387981303.db2.gz ZJJJVTLQCKMHAG-JSGCOSHPSA-N 2 1 247.386 2.089 20 0 BEADMP C1CC1[C@H]([NH2+][C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000423189066 387972777 /nfs/dbraw/zinc/97/27/77/387972777.db2.gz OTSFXEFDGQFNOD-UONOGXRCSA-N 2 1 222.376 2.297 20 0 BEADMP C[C@@H]([NH2+]CC[NH3+])[C@H](C)c1nc2ccccc2s1 ZINC000423189213 387973668 /nfs/dbraw/zinc/97/36/68/387973668.db2.gz QNPSGUNDSKHKFM-VHSXEESVSA-N 2 1 249.383 2.337 20 0 BEADMP C[NH2+]CCC[NH2+][C@@H](C)c1ccccc1F ZINC000423191858 387975780 /nfs/dbraw/zinc/97/57/80/387975780.db2.gz UJRWMTKRDGOZJC-JTQLQIEISA-N 2 1 210.296 2.086 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000423190030 387976468 /nfs/dbraw/zinc/97/64/68/387976468.db2.gz NFDWZBKHGGITSA-XQHKEYJVSA-N 2 1 210.365 2.153 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC2=CCCC2)C1 ZINC000645812120 387977369 /nfs/dbraw/zinc/97/73/69/387977369.db2.gz NLCBMWPUQYZOGV-CQSZACIVSA-N 2 1 222.376 2.370 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](CC2=CCCC2)C1 ZINC000645812120 387977373 /nfs/dbraw/zinc/97/73/73/387977373.db2.gz NLCBMWPUQYZOGV-CQSZACIVSA-N 2 1 222.376 2.370 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC2=CCCC2)C1 ZINC000645812120 387977377 /nfs/dbraw/zinc/97/73/77/387977377.db2.gz NLCBMWPUQYZOGV-CQSZACIVSA-N 2 1 222.376 2.370 20 0 BEADMP C[NH2+]CCC[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000423200952 387988510 /nfs/dbraw/zinc/98/85/10/387988510.db2.gz NPVFDLUWJXZKSG-MRVPVSSYSA-N 2 1 246.276 2.364 20 0 BEADMP CCc1ccc([C@H](C)[NH2+]CCC[NH2+]C)o1 ZINC000423204532 387988945 /nfs/dbraw/zinc/98/89/45/387988945.db2.gz UPBGDLZZNUUCKS-JTQLQIEISA-N 2 1 210.321 2.102 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC(C)(C)C2)CC[N@@H+]1C ZINC000245926175 387993378 /nfs/dbraw/zinc/99/33/78/387993378.db2.gz IJHWSPOPFGSWOU-UPJWGTAASA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC(C)(C)C2)CC[N@H+]1C ZINC000245926175 387993384 /nfs/dbraw/zinc/99/33/84/387993384.db2.gz IJHWSPOPFGSWOU-UPJWGTAASA-N 2 1 240.391 2.016 20 0 BEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccn2)C1 ZINC000245836536 387986156 /nfs/dbraw/zinc/98/61/56/387986156.db2.gz AQUXCQFZRLTGJO-ZIAGYGMSSA-N 2 1 247.386 2.464 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccn2)C1 ZINC000245836536 387986162 /nfs/dbraw/zinc/98/61/62/387986162.db2.gz AQUXCQFZRLTGJO-ZIAGYGMSSA-N 2 1 247.386 2.464 20 0 BEADMP Cc1ccnc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423215404 387998055 /nfs/dbraw/zinc/99/80/55/387998055.db2.gz NSDIKIMSDFUXHS-HABKJSAYSA-N 2 1 245.370 2.324 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000453185699 388004495 /nfs/dbraw/zinc/00/44/95/388004495.db2.gz XVLUKHFLFNHIFB-HNNXBMFYSA-N 2 1 234.387 2.417 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CC[C@@H](CCC(C)C)C1 ZINC000423240996 388023750 /nfs/dbraw/zinc/02/37/50/388023750.db2.gz HPARBXCEGDGTJI-CHWSQXEVSA-N 2 1 212.381 2.400 20 0 BEADMP C[NH2+]CC[NH2+][C@H]1CCC[C@@H](CC(C)C)C1 ZINC000423240005 388024504 /nfs/dbraw/zinc/02/45/04/388024504.db2.gz GRIUCJUMDHZBOH-STQMWFEESA-N 2 1 212.381 2.400 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)CC[N@H+]1C ZINC000156617421 388011429 /nfs/dbraw/zinc/01/14/29/388011429.db2.gz WIHKDPFESIUBLM-IUCAKERBSA-N 2 1 224.270 2.011 20 0 BEADMP C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246108370 388011400 /nfs/dbraw/zinc/01/14/00/388011400.db2.gz BROXFNVAOGTROQ-STQMWFEESA-N 2 1 233.359 2.026 20 0 BEADMP C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246108370 388011412 /nfs/dbraw/zinc/01/14/12/388011412.db2.gz BROXFNVAOGTROQ-STQMWFEESA-N 2 1 233.359 2.026 20 0 BEADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cccc(F)c1F ZINC000423227501 388011527 /nfs/dbraw/zinc/01/15/27/388011527.db2.gz WAOAZKKAZCBVJH-IUCAKERBSA-N 2 1 228.286 2.353 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000423234163 388017990 /nfs/dbraw/zinc/01/79/90/388017990.db2.gz LEIBLOQNITXRID-NWDGAFQWSA-N 2 1 216.344 2.104 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1CC ZINC000423234888 388018019 /nfs/dbraw/zinc/01/80/19/388018019.db2.gz MMEHYDNGAZFZOG-YNEHKIRRSA-N 2 1 212.381 2.400 20 0 BEADMP C[NH2+]CC[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000423236761 388020769 /nfs/dbraw/zinc/02/07/69/388020769.db2.gz COYQSWLAFHIWAU-CQSZACIVSA-N 2 1 220.360 2.063 20 0 BEADMP CC[NH2+]CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000423249905 388032147 /nfs/dbraw/zinc/03/21/47/388032147.db2.gz SVFJDFRAWGQQIV-UHFFFAOYSA-N 2 1 222.376 2.010 20 0 BEADMP CCCCO[C@@H]1C[C@@H]([NH2+]CC[NH2+]CC)C1(C)C ZINC000423252191 388033211 /nfs/dbraw/zinc/03/32/11/388033211.db2.gz XIFTXXAGSYWJCS-CHWSQXEVSA-N 2 1 242.407 2.169 20 0 BEADMP CC[NH2+]CC[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000423253475 388035312 /nfs/dbraw/zinc/03/53/12/388035312.db2.gz ZDWVYSZYDMBKQR-OLZOCXBDSA-N 2 1 212.381 2.400 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCc2ccccc21 ZINC000423262708 388039789 /nfs/dbraw/zinc/03/97/89/388039789.db2.gz NFHMJSKZABALDG-ZIAGYGMSSA-N 2 1 218.344 2.247 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cccs1 ZINC000423264272 388041866 /nfs/dbraw/zinc/04/18/66/388041866.db2.gz PSELINBPAPZJCZ-ZJUUUORDSA-N 2 1 212.362 2.382 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)C1CC1 ZINC000423264604 388042218 /nfs/dbraw/zinc/04/22/18/388042218.db2.gz AJDZYAITTHYXSX-KBPBESRZSA-N 2 1 234.318 2.140 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)C1CC1 ZINC000423264605 388042479 /nfs/dbraw/zinc/04/24/79/388042479.db2.gz AJDZYAITTHYXSX-KGLIPLIRSA-N 2 1 234.318 2.140 20 0 BEADMP [NH3+]C[C@H]([NH2+]C1CCC(C(F)F)CC1)C1CC1 ZINC000423265063 388043801 /nfs/dbraw/zinc/04/38/01/388043801.db2.gz AQBNRPQJZUVVMF-ILDUYXDCSA-N 2 1 232.318 2.137 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000423265329 388044133 /nfs/dbraw/zinc/04/41/33/388044133.db2.gz CVJWDZBBWOGGON-GJZGRUSLSA-N 2 1 247.386 2.496 20 0 BEADMP CCC[C@@H](C)[C@H](CC)[NH2+]CC[NH2+]CC ZINC000423244597 388027950 /nfs/dbraw/zinc/02/79/50/388027950.db2.gz LHXPWKBESVKCKQ-NEPJUHHUSA-N 2 1 200.370 2.400 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CC(C)(F)C1 ZINC000453256543 388028741 /nfs/dbraw/zinc/02/87/41/388028741.db2.gz UFZLSYQEUJIYML-IJLVLRJLSA-N 2 1 228.355 2.195 20 0 BEADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])CC(C)C)C1(C)C ZINC000423272538 388051538 /nfs/dbraw/zinc/05/15/38/388051538.db2.gz ZCBFMOGAXVNSIO-RWMBFGLXSA-N 2 1 242.407 2.153 20 0 BEADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000453350589 388052198 /nfs/dbraw/zinc/05/21/98/388052198.db2.gz LOJOATCZCYOPRJ-ZOBORPQBSA-N 2 1 224.392 2.208 20 0 BEADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)CC2 ZINC000423274396 388055570 /nfs/dbraw/zinc/05/55/70/388055570.db2.gz KIIRVPIUDZWFFQ-GJZGRUSLSA-N 2 1 246.354 2.009 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])C2CC2)[C@H](C)C1 ZINC000423275595 388057340 /nfs/dbraw/zinc/05/73/40/388057340.db2.gz LWAOTBHKSRHNPY-VCDKRKBESA-N 2 1 210.365 2.138 20 0 BEADMP [NH3+]C[C@H]([NH2+]C1CCC2(CC2)CC1)C1CC1 ZINC000423275586 388057576 /nfs/dbraw/zinc/05/75/76/388057576.db2.gz LUZBIKMDHDRWFU-LBPRGKRZSA-N 2 1 208.349 2.036 20 0 BEADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C[NH3+])C1CC1)CC2 ZINC000423277785 388058020 /nfs/dbraw/zinc/05/80/20/388058020.db2.gz OQNBEJHZZBPSSB-LSDHHAIUSA-N 2 1 230.355 2.309 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccccc1F ZINC000423277852 388058615 /nfs/dbraw/zinc/05/86/15/388058615.db2.gz QFCRGSTZPDRLHE-WDEREUQCSA-N 2 1 224.323 2.332 20 0 BEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(F)c1 ZINC000423277248 388059084 /nfs/dbraw/zinc/05/90/84/388059084.db2.gz OCCBYBPLAWJJFV-ZANVPECISA-N 2 1 222.307 2.214 20 0 BEADMP Cc1ccccc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423278999 388059592 /nfs/dbraw/zinc/05/95/92/388059592.db2.gz QSLPCVOWJLYYJT-BXUZGUMPSA-N 2 1 218.344 2.383 20 0 BEADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccccc1 ZINC000083764371 388060259 /nfs/dbraw/zinc/06/02/59/388060259.db2.gz VLWVBDOGUMDHFG-ZDUSSCGKSA-N 2 1 206.333 2.294 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccsc1 ZINC000423278044 388060888 /nfs/dbraw/zinc/06/08/88/388060888.db2.gz QKLWMWITFQPYDS-ONGXEEELSA-N 2 1 212.362 2.382 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cc(C)oc1C ZINC000423281410 388064194 /nfs/dbraw/zinc/06/41/94/388064194.db2.gz VKVZVKQNHPDSSP-KOLCDFICSA-N 2 1 224.348 2.403 20 0 BEADMP CC(C)=CCC[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423282509 388065032 /nfs/dbraw/zinc/06/50/32/388065032.db2.gz VGHJTJBLUFTMOS-AAEUAGOBSA-N 2 1 210.365 2.448 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)[C@H]2CCC[C@@H]21 ZINC000453382899 388065864 /nfs/dbraw/zinc/06/58/64/388065864.db2.gz LXBFBWLBWXKZJU-QRJUGERDSA-N 2 1 248.414 2.495 20 0 BEADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)C1CCCCC1 ZINC000423283401 388065899 /nfs/dbraw/zinc/06/58/99/388065899.db2.gz VZNVDMMYZZMGCS-ZWNOBZJWSA-N 2 1 210.365 2.282 20 0 BEADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccc1N(C)C ZINC000423325535 388066531 /nfs/dbraw/zinc/06/65/31/388066531.db2.gz QCUNVAFEVYONRQ-SMDDNHRTSA-N 2 1 247.386 2.141 20 0 BEADMP COc1cccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000423284622 388067063 /nfs/dbraw/zinc/06/70/63/388067063.db2.gz XDFQFQDUVJRKOO-HZMBPMFUSA-N 2 1 234.343 2.083 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000084204159 388073836 /nfs/dbraw/zinc/07/38/36/388073836.db2.gz BKOLLYXTMPGIGK-IUODEOHRSA-N 2 1 232.371 2.418 20 0 BEADMP Cc1cc[nH+]c(N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000084213369 388073881 /nfs/dbraw/zinc/07/38/81/388073881.db2.gz GXRMPCVWQYTFKT-NEPJUHHUSA-N 2 1 219.332 2.319 20 0 BEADMP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1nccs1 ZINC000084217017 388075355 /nfs/dbraw/zinc/07/53/55/388075355.db2.gz SMFZTULDWITULI-AXFHLTTASA-N 2 1 239.388 2.311 20 0 BEADMP C[C@H]1CCC[C@@H](C[NH2+]C2CC[NH+](C)CC2)C1 ZINC000084340864 388076374 /nfs/dbraw/zinc/07/63/74/388076374.db2.gz ULTNISVWZAPNJP-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H](C[NH3+])C2)C1 ZINC000084344494 388076485 /nfs/dbraw/zinc/07/64/85/388076485.db2.gz KPKMVIXWUOYEPM-MGPQQGTHSA-N 2 1 224.392 2.483 20 0 BEADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCC12CCC2 ZINC000423294258 388076488 /nfs/dbraw/zinc/07/64/88/388076488.db2.gz BOSQZJVHTZNLCU-NWDGAFQWSA-N 2 1 210.365 2.426 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](COC)C1CCCC1 ZINC000423297777 388079746 /nfs/dbraw/zinc/07/97/46/388079746.db2.gz LVHBHVKUZQOTHD-KGLIPLIRSA-N 2 1 242.407 2.299 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCC2CC(F)(F)C2)CC[N@H+]1C ZINC000453426113 388081270 /nfs/dbraw/zinc/08/12/70/388081270.db2.gz ONXPCSTXDPIJTF-PWSUYJOCSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CC1 ZINC000453435840 388082163 /nfs/dbraw/zinc/08/21/63/388082163.db2.gz URUQRRXOMONPKU-NSHDSACASA-N 2 1 210.365 2.249 20 0 BEADMP Cc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)nc1 ZINC000453596480 388088607 /nfs/dbraw/zinc/08/86/07/388088607.db2.gz LLNPCEHWZDVSLV-UHFFFAOYSA-N 2 1 247.386 2.354 20 0 BEADMP CC(C)[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)C1CC1 ZINC000324266133 388115774 /nfs/dbraw/zinc/11/57/74/388115774.db2.gz MPIYNNKVIKPTTH-CHWSQXEVSA-N 2 1 210.365 2.153 20 0 BEADMP C[N@@H+](CCc1cccs1)C[C@]1(C)CC[NH2+]C1 ZINC000086442318 388102166 /nfs/dbraw/zinc/10/21/66/388102166.db2.gz ZDABLLYAPRUQKZ-CYBMUJFWSA-N 2 1 238.400 2.222 20 0 BEADMP CC(C)[C@H](C)[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000086702084 388106507 /nfs/dbraw/zinc/10/65/07/388106507.db2.gz CCBOMXSBPVNABF-LBPRGKRZSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000083055510 388044727 /nfs/dbraw/zinc/04/47/27/388044727.db2.gz GNWFSRFGQZOYQH-FZMZJTMJSA-N 2 1 222.376 2.249 20 0 BEADMP [NH3+]C[C@@H]([NH2+]C1CCc2ccccc2CC1)C1CC1 ZINC000423267220 388045049 /nfs/dbraw/zinc/04/50/49/388045049.db2.gz CLRHILFPEIEEDU-MRXNPFEDSA-N 2 1 244.382 2.261 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@@H]1CCc2ccccc21)C1CC1 ZINC000423266725 388045867 /nfs/dbraw/zinc/04/58/67/388045867.db2.gz CCTWOCXIUKEELU-KGLIPLIRSA-N 2 1 216.328 2.001 20 0 BEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(F)cc1 ZINC000423267986 388045951 /nfs/dbraw/zinc/04/59/51/388045951.db2.gz DCDLTCRKBLZHRS-TVQRCGJNSA-N 2 1 222.307 2.214 20 0 BEADMP COCCC[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423267585 388046099 /nfs/dbraw/zinc/04/60/99/388046099.db2.gz UBFBJIAALPKEFM-OCCSQVGLSA-N 2 1 242.407 2.299 20 0 BEADMP COc1cccc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c1 ZINC000423269284 388047314 /nfs/dbraw/zinc/04/73/14/388047314.db2.gz VWWJWDQUGODBCT-FZMZJTMJSA-N 2 1 236.359 2.329 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000423268571 388047593 /nfs/dbraw/zinc/04/75/93/388047593.db2.gz UUOJCBMSFXIZOO-QJPTWQEYSA-N 2 1 212.381 2.384 20 0 BEADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]([NH3+])C(C)C)CC2 ZINC000423270594 388050124 /nfs/dbraw/zinc/05/01/24/388050124.db2.gz ICSILLFYEPVABM-LSDHHAIUSA-N 2 1 248.370 2.255 20 0 BEADMP CC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccncc1 ZINC000423270437 388050139 /nfs/dbraw/zinc/05/01/39/388050139.db2.gz WRKAFYDIPWJRKU-ZIAGYGMSSA-N 2 1 235.375 2.496 20 0 BEADMP Cc1cccc(CC[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000449251126 388162929 /nfs/dbraw/zinc/16/29/29/388162929.db2.gz NDAJWNQOPQYECA-UHFFFAOYSA-N 2 1 244.382 2.389 20 0 BEADMP C[C@H](Cc1ccoc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000449253924 388163253 /nfs/dbraw/zinc/16/32/53/388163253.db2.gz VAUIZTXYTTZLMJ-GFCCVEGCSA-N 2 1 234.343 2.062 20 0 BEADMP C([NH2+][C@H](C1CC1)C1CCC1)[C@H]1CCCC[NH2+]1 ZINC000324846566 388124924 /nfs/dbraw/zinc/12/49/24/388124924.db2.gz XTJSYLWPOWOGJT-KGLIPLIRSA-N 2 1 222.376 2.297 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CSC[C@@H]1C ZINC000449071774 388139320 /nfs/dbraw/zinc/13/93/20/388139320.db2.gz IINHOPNZBYHKIL-TUAOUCFPSA-N 2 1 230.421 2.058 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CSC[C@H]2C)C1 ZINC000449095305 388141171 /nfs/dbraw/zinc/14/11/71/388141171.db2.gz XQSKYQIGFNPCGJ-JHJVBQTASA-N 2 1 242.432 2.059 20 0 BEADMP CC/C=C/C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000449455705 388210531 /nfs/dbraw/zinc/21/05/31/388210531.db2.gz LOSYAEYVCHLIBI-VFZNBBLXSA-N 2 1 210.365 2.273 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000449483045 388216271 /nfs/dbraw/zinc/21/62/71/388216271.db2.gz FXFYMCRJCASKQK-NEPJUHHUSA-N 2 1 233.359 2.283 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)C1(C)CCCC1 ZINC000489836208 388225226 /nfs/dbraw/zinc/22/52/26/388225226.db2.gz AWJSVNWNFBGDSN-UHFFFAOYSA-N 2 1 221.348 2.456 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)C1(C)CCCC1 ZINC000489836208 388225227 /nfs/dbraw/zinc/22/52/27/388225227.db2.gz AWJSVNWNFBGDSN-UHFFFAOYSA-N 2 1 221.348 2.456 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(CF)CC1 ZINC000451394823 388269472 /nfs/dbraw/zinc/26/94/72/388269472.db2.gz PLTZHSRPUDAZBI-CYBMUJFWSA-N 2 1 228.355 2.152 20 0 BEADMP CSc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000235118700 388365215 /nfs/dbraw/zinc/36/52/15/388365215.db2.gz WJIDEEUXEXZHCD-NXEZZACHSA-N 2 1 224.373 2.406 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])c(C)c1 ZINC000235095118 388365507 /nfs/dbraw/zinc/36/55/07/388365507.db2.gz YLLCKWLLHQNOLF-NWDGAFQWSA-N 2 1 206.333 2.301 20 0 BEADMP Cc1sccc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000292996215 388385702 /nfs/dbraw/zinc/38/57/02/388385702.db2.gz OKBWKEFLQDGQHV-SNVBAGLBSA-N 2 1 226.389 2.344 20 0 BEADMP FCCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309603120 388458951 /nfs/dbraw/zinc/45/89/51/388458951.db2.gz XEJSARWWHDVAIY-BETUJISGSA-N 2 1 228.355 2.058 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCCC2)[C@H]1C ZINC000336697646 388464400 /nfs/dbraw/zinc/46/44/00/388464400.db2.gz ZFZCZIFTEQEWAQ-AGIUHOORSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)CSCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000397441109 388470207 /nfs/dbraw/zinc/47/02/07/388470207.db2.gz ILMWXKRPEDMCLS-OLZOCXBDSA-N 2 1 244.448 2.496 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000310203062 388477102 /nfs/dbraw/zinc/47/71/02/388477102.db2.gz ARNMVPKEMSYOGP-IHRRRGAJSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000310203062 388477105 /nfs/dbraw/zinc/47/71/05/388477105.db2.gz ARNMVPKEMSYOGP-IHRRRGAJSA-N 2 1 242.407 2.121 20 0 BEADMP COC[C@@H](C)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000573249159 388433101 /nfs/dbraw/zinc/43/31/01/388433101.db2.gz WZLRIPLJHAHZKZ-ZDUSSCGKSA-N 2 1 242.407 2.110 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CCC2)[C@H](C)C1 ZINC000175721084 388438537 /nfs/dbraw/zinc/43/85/37/388438537.db2.gz IDHMLTMCCNZIHW-OCCSQVGLSA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CCC2)[C@H](C)C1 ZINC000175721084 388438539 /nfs/dbraw/zinc/43/85/39/388438539.db2.gz IDHMLTMCCNZIHW-OCCSQVGLSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000397776068 388498229 /nfs/dbraw/zinc/49/82/29/388498229.db2.gz BDDPBPWMJLPKQE-RHYQMDGZSA-N 2 1 228.405 2.001 20 0 BEADMP CCC[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)OC ZINC000356326050 388549025 /nfs/dbraw/zinc/54/90/25/388549025.db2.gz XJYDFRNCDJBFOO-CQSZACIVSA-N 2 1 240.391 2.018 20 0 BEADMP CC[C@H]1CC[C@@H](C)[N@H+]1CC1CC[NH2+]CC1 ZINC000136185274 388525804 /nfs/dbraw/zinc/52/58/04/388525804.db2.gz CZYLIZODMZHZAZ-YPMHNXCESA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CCC[NH+]2CCC2)C[C@@H]1C ZINC000520837857 388537039 /nfs/dbraw/zinc/53/70/39/388537039.db2.gz JFWMXLUGPDEKAJ-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[C@@H](C)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000245634788 388594897 /nfs/dbraw/zinc/59/48/97/388594897.db2.gz BSTWGJPXWSPUKG-OLZOCXBDSA-N 2 1 212.381 2.306 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000245694293 388598870 /nfs/dbraw/zinc/59/88/70/388598870.db2.gz KCGJRBXBXVGYOR-RKQHYHRCSA-N 2 1 240.391 2.015 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000245694293 388598872 /nfs/dbraw/zinc/59/88/72/388598872.db2.gz KCGJRBXBXVGYOR-RKQHYHRCSA-N 2 1 240.391 2.015 20 0 BEADMP CO[C@H](C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000379232143 388599614 /nfs/dbraw/zinc/59/96/14/388599614.db2.gz STVCTTYVGSLHTR-NWANDNLSSA-N 2 1 248.370 2.043 20 0 BEADMP C[C@H]([N@@H+](C)CCC1CC[NH2+]CC1)C1(C)CC1 ZINC000359199758 388556081 /nfs/dbraw/zinc/55/60/81/388556081.db2.gz FGYBOTHBWVTQTR-LBPRGKRZSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)o1 ZINC000521025804 388559992 /nfs/dbraw/zinc/55/99/92/388559992.db2.gz PZTNGAJHAZMDBF-JSGCOSHPSA-N 2 1 236.359 2.251 20 0 BEADMP CC1(C)CC(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000530219235 388631728 /nfs/dbraw/zinc/63/17/28/388631728.db2.gz IZSPSIIHYGMQFG-OKILXGFUSA-N 2 1 236.403 2.354 20 0 BEADMP CC1(C)CC(C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000530224411 388634243 /nfs/dbraw/zinc/63/42/43/388634243.db2.gz RGWJCECQTQPYRN-QWHCGFSZSA-N 2 1 222.376 2.106 20 0 BEADMP CC1(C)CC(C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000530224411 388634246 /nfs/dbraw/zinc/63/42/46/388634246.db2.gz RGWJCECQTQPYRN-QWHCGFSZSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC1CC(C)(C)C1 ZINC000530225302 388634677 /nfs/dbraw/zinc/63/46/77/388634677.db2.gz VNGCNHGMVONRSI-JQWIXIFHSA-N 2 1 210.365 2.234 20 0 BEADMP CCOCCCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246899454 388655167 /nfs/dbraw/zinc/65/51/67/388655167.db2.gz FTTJJHLURWJWDW-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)C2CC2)[C@@H](C)C1 ZINC000247311415 388662233 /nfs/dbraw/zinc/66/22/33/388662233.db2.gz KAAVRKKGRUQBIK-GVXVVHGQSA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251379476 388747437 /nfs/dbraw/zinc/74/74/37/388747437.db2.gz YZWZUEDYMBGUHJ-AVGNSLFASA-N 2 1 210.365 2.247 20 0 BEADMP CSC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000248662957 388689154 /nfs/dbraw/zinc/68/91/54/388689154.db2.gz YWXLCAOYVKDYKP-NEPJUHHUSA-N 2 1 240.416 2.098 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCC2CC2)C1 ZINC000248975922 388702544 /nfs/dbraw/zinc/70/25/44/388702544.db2.gz HRAVQMJECHFJET-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)nc1 ZINC000126986412 388710937 /nfs/dbraw/zinc/71/09/37/388710937.db2.gz GSKQAVIERHVFHF-CQSZACIVSA-N 2 1 247.386 2.212 20 0 BEADMP CCC[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000249396018 388719836 /nfs/dbraw/zinc/71/98/36/388719836.db2.gz SUOIYUUXAWCDRU-OLZOCXBDSA-N 2 1 212.381 2.449 20 0 BEADMP CCC[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000249396018 388719839 /nfs/dbraw/zinc/71/98/39/388719839.db2.gz SUOIYUUXAWCDRU-OLZOCXBDSA-N 2 1 212.381 2.449 20 0 BEADMP CCC[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000249396018 388719840 /nfs/dbraw/zinc/71/98/40/388719840.db2.gz SUOIYUUXAWCDRU-OLZOCXBDSA-N 2 1 212.381 2.449 20 0 BEADMP CCC[N@H+](CCCn1cc[nH+]c1C)C1CC1 ZINC000127338608 388721361 /nfs/dbraw/zinc/72/13/61/388721361.db2.gz KGOJQCGWSDLTBH-UHFFFAOYSA-N 2 1 221.348 2.456 20 0 BEADMP CCC[N@@H+](CCCn1cc[nH+]c1C)C1CC1 ZINC000127338608 388721364 /nfs/dbraw/zinc/72/13/64/388721364.db2.gz KGOJQCGWSDLTBH-UHFFFAOYSA-N 2 1 221.348 2.456 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC=C(C)C)[C@@H](C)C1 ZINC000249692547 388731715 /nfs/dbraw/zinc/73/17/15/388731715.db2.gz XHCPIYDFYBWYDN-QWHCGFSZSA-N 2 1 210.365 2.273 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)[C@@H]2CCC[C@H]21 ZINC000554095449 388799049 /nfs/dbraw/zinc/79/90/49/388799049.db2.gz FNDHLNSTAPQOMF-UHFZAUJKSA-N 2 1 244.329 2.102 20 0 BEADMP CSC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000228023115 388765667 /nfs/dbraw/zinc/76/56/67/388765667.db2.gz PIQKAGGOXVZLQP-SDDRHHMPSA-N 2 1 242.432 2.200 20 0 BEADMP CCC[N@H+](CCC[NH+](C)C)CC1(F)CC1 ZINC000554883418 388834574 /nfs/dbraw/zinc/83/45/74/388834574.db2.gz PKJJMQSGUOZRAT-UHFFFAOYSA-N 2 1 216.344 2.152 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)CC1(F)CC1 ZINC000554883418 388834575 /nfs/dbraw/zinc/83/45/75/388834575.db2.gz PKJJMQSGUOZRAT-UHFFFAOYSA-N 2 1 216.344 2.152 20 0 BEADMP CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000232676034 388856029 /nfs/dbraw/zinc/85/60/29/388856029.db2.gz UVLUOUFJFLXCGS-NEPJUHHUSA-N 2 1 236.359 2.472 20 0 BEADMP c1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)nc1 ZINC000564975603 388903782 /nfs/dbraw/zinc/90/37/82/388903782.db2.gz LEXJVSDCZHSTDN-ZFWWWQNUSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC23CC3)CC[N@H+]1C ZINC000565242198 388930742 /nfs/dbraw/zinc/93/07/42/388930742.db2.gz CMTPTHPKVIRNEC-JHJVBQTASA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC23CC3)CC[N@@H+]1C ZINC000565242198 388930739 /nfs/dbraw/zinc/93/07/39/388930739.db2.gz CMTPTHPKVIRNEC-JHJVBQTASA-N 2 1 222.376 2.391 20 0 BEADMP C[NH+](C)CCC[N@@H+](C)CCC(C)(C)C ZINC000565943293 388980961 /nfs/dbraw/zinc/98/09/61/388980961.db2.gz BEWJHRGORLMIRQ-UHFFFAOYSA-N 2 1 200.370 2.306 20 0 BEADMP C[N@@H+]1CC=C(CNc2cc[nH+]cc2Cl)CC1 ZINC000273914875 389044694 /nfs/dbraw/zinc/04/46/94/389044694.db2.gz IYZAVOYKEZJGET-UHFFFAOYSA-N 2 1 237.734 2.409 20 0 BEADMP C[N@H+]1CC=C(CNc2cc[nH+]cc2Cl)CC1 ZINC000273914875 389044689 /nfs/dbraw/zinc/04/46/89/389044689.db2.gz IYZAVOYKEZJGET-UHFFFAOYSA-N 2 1 237.734 2.409 20 0 BEADMP C[C@@H]([NH2+]CCc1ccccc1F)[C@H]1CCC[NH2+]1 ZINC000400386359 533405214 /nfs/dbraw/zinc/40/52/14/533405214.db2.gz LYCDCYQGFYKZHN-BXUZGUMPSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccncc2)CC[N@H+]1C ZINC000487321845 533639628 /nfs/dbraw/zinc/63/96/28/533639628.db2.gz RMAGFDVJMFTMLE-SUVXUSRCSA-N 2 1 245.370 2.167 20 0 BEADMP Cc1cc(N2CCC(c3[nH]cc[nH+]3)CC2)cc[nH+]1 ZINC000274359180 132202895 /nfs/dbraw/zinc/20/28/95/132202895.db2.gz MSQIBPQIFULSJJ-UHFFFAOYSA-N 2 1 242.326 2.497 20 0 BEADMP Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc[nH+]1 ZINC000274918799 132204363 /nfs/dbraw/zinc/20/43/63/132204363.db2.gz OTPKBPGOFJQGFP-HIFRSBDPSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cccc(N2CCC([C@H]3CCC[NH2+]3)CC2)[nH+]1 ZINC000063201489 132241619 /nfs/dbraw/zinc/24/16/19/132241619.db2.gz HVOXDCSTQCZHEJ-CQSZACIVSA-N 2 1 245.370 2.358 20 0 BEADMP Cc1c[nH+]ccc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000358915268 132275973 /nfs/dbraw/zinc/27/59/73/132275973.db2.gz NKDMNEQYAZGXIU-CQSZACIVSA-N 2 1 233.359 2.166 20 0 BEADMP CCC(C)(C)[N@H+](C)CCn1cc[nH+]c1C ZINC000270844530 168286295 /nfs/dbraw/zinc/28/62/95/168286295.db2.gz GQKRCZJHCNVRIQ-UHFFFAOYSA-N 2 1 209.337 2.312 20 0 BEADMP CCC(C)(C)[N@@H+](C)CCn1cc[nH+]c1C ZINC000270844530 168286298 /nfs/dbraw/zinc/28/62/98/168286298.db2.gz GQKRCZJHCNVRIQ-UHFFFAOYSA-N 2 1 209.337 2.312 20 0 BEADMP CC[C@@H]([NH2+]CC[N@H+](CC)C(C)C)[C@@H]1CCOC1 ZINC000156630940 133471206 /nfs/dbraw/zinc/47/12/06/133471206.db2.gz YDCISLHLRCUMDT-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@@H]([NH2+]CC[N@@H+](CC)C(C)C)[C@@H]1CCOC1 ZINC000156630940 133471207 /nfs/dbraw/zinc/47/12/07/133471207.db2.gz YDCISLHLRCUMDT-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@H](C)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335277589 133823030 /nfs/dbraw/zinc/82/30/30/133823030.db2.gz JSLPTMVEBFTWFR-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1CCSCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000335938087 134013159 /nfs/dbraw/zinc/01/31/59/134013159.db2.gz OAFKSKFMSOHTBF-QWHCGFSZSA-N 2 1 242.432 2.298 20 0 BEADMP C[C@H]1CCSCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000335938087 134013160 /nfs/dbraw/zinc/01/31/60/134013160.db2.gz OAFKSKFMSOHTBF-QWHCGFSZSA-N 2 1 242.432 2.298 20 0 BEADMP C[C@H](F)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000352014824 134035588 /nfs/dbraw/zinc/03/55/88/134035588.db2.gz OBEWWRYUROLAGB-SDDRHHMPSA-N 2 1 216.344 2.149 20 0 BEADMP C[C@H](F)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000352014824 134035589 /nfs/dbraw/zinc/03/55/89/134035589.db2.gz OBEWWRYUROLAGB-SDDRHHMPSA-N 2 1 216.344 2.149 20 0 BEADMP C[C@H](F)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000352014824 134035590 /nfs/dbraw/zinc/03/55/90/134035590.db2.gz OBEWWRYUROLAGB-SDDRHHMPSA-N 2 1 216.344 2.149 20 0 BEADMP C[C@H](F)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000352014824 134035591 /nfs/dbraw/zinc/03/55/91/134035591.db2.gz OBEWWRYUROLAGB-SDDRHHMPSA-N 2 1 216.344 2.149 20 0 BEADMP C[C@H](F)CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000352050004 134046108 /nfs/dbraw/zinc/04/61/08/134046108.db2.gz PHZKIIJNTKAAHR-RYUDHWBXSA-N 2 1 216.344 2.008 20 0 BEADMP C[C@H](F)CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000352050004 134046109 /nfs/dbraw/zinc/04/61/09/134046109.db2.gz PHZKIIJNTKAAHR-RYUDHWBXSA-N 2 1 216.344 2.008 20 0 BEADMP C[C@H](F)CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000352050004 134046110 /nfs/dbraw/zinc/04/61/10/134046110.db2.gz PHZKIIJNTKAAHR-RYUDHWBXSA-N 2 1 216.344 2.008 20 0 BEADMP C[C@H]1c2ccccc2CC[N@H+]1CC(C)(C)[NH3+] ZINC000336055866 134066492 /nfs/dbraw/zinc/06/64/92/134066492.db2.gz SPIKNQSFPZUOSK-NSHDSACASA-N 2 1 218.344 2.343 20 0 BEADMP C[C@H]1c2ccccc2CC[N@@H+]1CC(C)(C)[NH3+] ZINC000336055866 134066493 /nfs/dbraw/zinc/06/64/93/134066493.db2.gz SPIKNQSFPZUOSK-NSHDSACASA-N 2 1 218.344 2.343 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H]3CC=CCC3)C2)C1 ZINC000336114476 134087729 /nfs/dbraw/zinc/08/77/29/134087729.db2.gz CFVMCDKAAGDXDM-GJZGRUSLSA-N 2 1 234.387 2.370 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H]3CC=CCC3)C2)C1 ZINC000336114476 134087730 /nfs/dbraw/zinc/08/77/30/134087730.db2.gz CFVMCDKAAGDXDM-GJZGRUSLSA-N 2 1 234.387 2.370 20 0 BEADMP C[C@H]1C[C@H]([NH+](C)CC2CC(F)(F)C2)CC[N@@H+]1C ZINC000336185995 134121384 /nfs/dbraw/zinc/12/13/84/134121384.db2.gz JQXVIZQWZINGKG-CMPLNLGQSA-N 2 1 246.345 2.446 20 0 BEADMP C[C@H]1C[C@H]([NH+](C)CC2CC(F)(F)C2)CC[N@H+]1C ZINC000336185995 134121385 /nfs/dbraw/zinc/12/13/85/134121385.db2.gz JQXVIZQWZINGKG-CMPLNLGQSA-N 2 1 246.345 2.446 20 0 BEADMP C[C@H]1C[C@H]([N@H+](C)CC2CC(F)(F)C2)CC[NH+]1C ZINC000336185995 134121386 /nfs/dbraw/zinc/12/13/86/134121386.db2.gz JQXVIZQWZINGKG-CMPLNLGQSA-N 2 1 246.345 2.446 20 0 BEADMP C[C@H]1C[C@H]([N@@H+](C)CC2CC(F)(F)C2)CC[NH+]1C ZINC000336185995 134121387 /nfs/dbraw/zinc/12/13/87/134121387.db2.gz JQXVIZQWZINGKG-CMPLNLGQSA-N 2 1 246.345 2.446 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000353078046 134160703 /nfs/dbraw/zinc/16/07/03/134160703.db2.gz GNUJFZFGEHELEI-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000353078046 134160704 /nfs/dbraw/zinc/16/07/04/134160704.db2.gz GNUJFZFGEHELEI-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000347032448 134196352 /nfs/dbraw/zinc/19/63/52/134196352.db2.gz ABIDRIJWUOFBGV-MGPQQGTHSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@@H](CC[NH3+])[NH2+]Cc1c(F)cccc1Cl ZINC000220496078 134305354 /nfs/dbraw/zinc/30/53/54/134305354.db2.gz ZBRFMIGHCAINKN-QMMMGPOBSA-N 2 1 230.714 2.306 20 0 BEADMP CC(C)CCC[N@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000221963805 134326526 /nfs/dbraw/zinc/32/65/26/134326526.db2.gz LSVOEQRJLCTMPD-CHWSQXEVSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1c[nH+]ccc1N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000192598335 134587164 /nfs/dbraw/zinc/58/71/64/134587164.db2.gz PTHNOMJLYYENSZ-CYBMUJFWSA-N 2 1 233.359 2.168 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)C2)CC1 ZINC000070643531 135002116 /nfs/dbraw/zinc/00/21/16/135002116.db2.gz UJCZGJSPRDAUSU-WCQYABFASA-N 2 1 210.365 2.249 20 0 BEADMP Cc1c[nH+]ccc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248675215 135019560 /nfs/dbraw/zinc/01/95/60/135019560.db2.gz XXQOSNDLFQQKDO-ZFWWWQNUSA-N 2 1 245.370 2.311 20 0 BEADMP CCCCOCC[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000249881571 135047727 /nfs/dbraw/zinc/04/77/27/135047727.db2.gz NZMIFGFGABLXBG-QWHCGFSZSA-N 2 1 228.380 2.005 20 0 BEADMP CCCCOCC[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000249881571 135047728 /nfs/dbraw/zinc/04/77/28/135047728.db2.gz NZMIFGFGABLXBG-QWHCGFSZSA-N 2 1 228.380 2.005 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2C)C1 ZINC000250257089 135051972 /nfs/dbraw/zinc/05/19/72/135051972.db2.gz JFCSKVSNNWQWRT-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP CCC(CC)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250785083 135058931 /nfs/dbraw/zinc/05/89/31/135058931.db2.gz VUYFQPMJLFLXLU-WCQYABFASA-N 2 1 212.381 2.482 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)c1ccccn1 ZINC000251331697 135069253 /nfs/dbraw/zinc/06/92/53/135069253.db2.gz OKXPYBGSJHJLGU-OLZOCXBDSA-N 2 1 235.375 2.448 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)c1ccccn1 ZINC000251331697 135069254 /nfs/dbraw/zinc/06/92/54/135069254.db2.gz OKXPYBGSJHJLGU-OLZOCXBDSA-N 2 1 235.375 2.448 20 0 BEADMP C[C@H]1C[N@@H+](CCCc2ccccc2)CC[C@H]1[NH3+] ZINC000251615883 135072234 /nfs/dbraw/zinc/07/22/34/135072234.db2.gz DRNWZLBWEXEPDR-DZGCQCFKSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)[C@H]1C ZINC000251840339 135079192 /nfs/dbraw/zinc/07/91/92/135079192.db2.gz OCXYJURIFZNPON-DYEKYZERSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000251876414 135080736 /nfs/dbraw/zinc/08/07/36/135080736.db2.gz QWZKGKFWHLKVCX-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@H](C)C[N@@H+](CC)CC1CC[NH2+]CC1 ZINC000086437747 135083980 /nfs/dbraw/zinc/08/39/80/135083980.db2.gz OPIZXJZQNPVOLV-LBPRGKRZSA-N 2 1 212.381 2.354 20 0 BEADMP CC[C@H](C)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000086439149 135084884 /nfs/dbraw/zinc/08/48/84/135084884.db2.gz KHIXURKDGLDEJI-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000252175279 135085457 /nfs/dbraw/zinc/08/54/57/135085457.db2.gz OUXRQVDXXIDWEB-RQJABVFESA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000252208133 135086630 /nfs/dbraw/zinc/08/66/30/135086630.db2.gz VOSPQWKXVQJGNG-CHWSQXEVSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000252513592 135091915 /nfs/dbraw/zinc/09/19/15/135091915.db2.gz ZMTKJJBHRHCCOM-RQJABVFESA-N 2 1 222.376 2.391 20 0 BEADMP CC(C)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000252695929 135097323 /nfs/dbraw/zinc/09/73/23/135097323.db2.gz AYPGVLVFQCYHSV-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000252695929 135097326 /nfs/dbraw/zinc/09/73/26/135097326.db2.gz AYPGVLVFQCYHSV-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000252695929 135097328 /nfs/dbraw/zinc/09/73/28/135097328.db2.gz AYPGVLVFQCYHSV-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccccc1 ZINC000252710985 135099142 /nfs/dbraw/zinc/09/91/42/135099142.db2.gz IFKNTQHOSCZARD-UKRRQHHQSA-N 2 1 232.371 2.159 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC000252730832 135103664 /nfs/dbraw/zinc/10/36/64/135103664.db2.gz NBGFPSHUULNCEB-JHJVBQTASA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC000252730832 135103666 /nfs/dbraw/zinc/10/36/66/135103666.db2.gz NBGFPSHUULNCEB-JHJVBQTASA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC000252730830 135104149 /nfs/dbraw/zinc/10/41/49/135104149.db2.gz NBGFPSHUULNCEB-AGIUHOORSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC000252730830 135104150 /nfs/dbraw/zinc/10/41/50/135104150.db2.gz NBGFPSHUULNCEB-AGIUHOORSA-N 2 1 224.392 2.495 20 0 BEADMP CC1(C)CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000087254840 135116024 /nfs/dbraw/zinc/11/60/24/135116024.db2.gz XFBGMKDOTXNBQB-UHFFFAOYSA-N 2 1 210.365 2.108 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000252894319 135116381 /nfs/dbraw/zinc/11/63/81/135116381.db2.gz USHVXMRBOYUMRR-UKRRQHHQSA-N 2 1 232.371 2.425 20 0 BEADMP Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc[nH+]1 ZINC000252952354 135117406 /nfs/dbraw/zinc/11/74/06/135117406.db2.gz POBXYQPNWNRYIN-KGLIPLIRSA-N 2 1 231.343 2.429 20 0 BEADMP Cc1ccncc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000253178284 135123353 /nfs/dbraw/zinc/12/33/53/135123353.db2.gz BQHGPGMUKIXLEL-VNHYZAJKSA-N 2 1 247.386 2.208 20 0 BEADMP Cc1ccncc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000253178284 135123354 /nfs/dbraw/zinc/12/33/54/135123354.db2.gz BQHGPGMUKIXLEL-VNHYZAJKSA-N 2 1 247.386 2.208 20 0 BEADMP C[C@H]1CC[N@@H+](CCc2ccccc2)C[C@H]1C[NH3+] ZINC000253237440 135124780 /nfs/dbraw/zinc/12/47/80/135124780.db2.gz OYSUCDPVLWUZII-DZGCQCFKSA-N 2 1 232.371 2.146 20 0 BEADMP Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000258829490 135134798 /nfs/dbraw/zinc/13/47/98/135134798.db2.gz DCMLGDQLVYYCKJ-ZIAGYGMSSA-N 2 1 218.344 2.355 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000258944829 135136080 /nfs/dbraw/zinc/13/60/80/135136080.db2.gz KEHNPCXDVOZHNT-NEPJUHHUSA-N 2 1 224.735 2.309 20 0 BEADMP Fc1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000257662042 135138611 /nfs/dbraw/zinc/13/86/11/135138611.db2.gz GMXOQOUKZQTMGS-OAHLLOKOSA-N 2 1 248.345 2.401 20 0 BEADMP Fc1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000257662042 135138613 /nfs/dbraw/zinc/13/86/13/135138613.db2.gz GMXOQOUKZQTMGS-OAHLLOKOSA-N 2 1 248.345 2.401 20 0 BEADMP CC(C)CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257712891 135140408 /nfs/dbraw/zinc/14/04/08/135140408.db2.gz UAKPTSYMRTTXSX-ZDUSSCGKSA-N 2 1 210.365 2.108 20 0 BEADMP C(C1CCCC1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257747712 135141596 /nfs/dbraw/zinc/14/15/96/135141596.db2.gz ZXZVCFHIHGTLHG-AWEZNQCLSA-N 2 1 222.376 2.252 20 0 BEADMP C[NH2+]CCC[N@H+](C)Cc1ccc(C)c(F)c1 ZINC000087472231 135142901 /nfs/dbraw/zinc/14/29/01/135142901.db2.gz XPSBAJCYSDRLOD-UHFFFAOYSA-N 2 1 224.323 2.175 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(C)c(F)c1 ZINC000087472231 135142902 /nfs/dbraw/zinc/14/29/02/135142902.db2.gz XPSBAJCYSDRLOD-UHFFFAOYSA-N 2 1 224.323 2.175 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000261530778 135159317 /nfs/dbraw/zinc/15/93/17/135159317.db2.gz DAOGTQJETADWAV-NDBYEHHHSA-N 2 1 210.365 2.105 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)s1 ZINC000261531190 135159774 /nfs/dbraw/zinc/15/97/74/135159774.db2.gz FPFYSVPCVXFHGE-GFCCVEGCSA-N 2 1 224.373 2.227 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000261531335 135160114 /nfs/dbraw/zinc/16/01/14/135160114.db2.gz GDUQVBUYTYSRJG-AGIUHOORSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1CCC1CCCCC1 ZINC000261531378 135160355 /nfs/dbraw/zinc/16/03/55/135160355.db2.gz GGRUVJQKOKAWRU-YPMHNXCESA-N 2 1 210.365 2.378 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)o1 ZINC000087646513 135161067 /nfs/dbraw/zinc/16/10/67/135161067.db2.gz JPQLEYOUIQBNHZ-RYUDHWBXSA-N 2 1 222.332 2.238 20 0 BEADMP C[N@@H+](CCCc1ccccc1)C1CC([NH3+])C1 ZINC000087653263 135161193 /nfs/dbraw/zinc/16/11/93/135161193.db2.gz QDMMHCUVMVRIDQ-UHFFFAOYSA-N 2 1 218.344 2.041 20 0 BEADMP CC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CCS1 ZINC000261533415 135164919 /nfs/dbraw/zinc/16/49/19/135164919.db2.gz IHCGJTOYNRXHTN-RWMBFGLXSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](C)[C@@H]2C)CC[NH2+]1 ZINC000261533911 135165678 /nfs/dbraw/zinc/16/56/78/135165678.db2.gz LDGOYXDXDFYFRM-RFQIPJPRSA-N 2 1 224.392 2.495 20 0 BEADMP CCC[N@@H+](CC1CC1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261534483 135166632 /nfs/dbraw/zinc/16/66/32/135166632.db2.gz REMWBNMXUDUQCZ-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)[C@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000261535243 135169617 /nfs/dbraw/zinc/16/96/17/135169617.db2.gz XECAGSGUGWSYDN-RDBSUJKOSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC000261535562 135170008 /nfs/dbraw/zinc/17/00/08/135170008.db2.gz ONXWXSRLUDJVDF-YPMHNXCESA-N 2 1 210.365 2.236 20 0 BEADMP CC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H](C)C(C)C ZINC000261537023 135172683 /nfs/dbraw/zinc/17/26/83/135172683.db2.gz UPBZWXISNFUCNT-OLZOCXBDSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]1C[N@H+]([C@H]2CCCc3ccccc32)C[C@@H]1[NH3+] ZINC000261540056 135178556 /nfs/dbraw/zinc/17/85/56/135178556.db2.gz DEILVRRDRKFJOK-UGFHNGPFSA-N 2 1 230.355 2.343 20 0 BEADMP C[C@@]1(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CC[NH2+]C1 ZINC000261540789 135180369 /nfs/dbraw/zinc/18/03/69/135180369.db2.gz FFMPQEXWABXQIV-HZSPNIEDSA-N 2 1 222.376 2.108 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+]CC(C)(C)C ZINC000163787011 135180453 /nfs/dbraw/zinc/18/04/53/135180453.db2.gz JBZKDSPXFWYPKG-LLVKDONJSA-N 2 1 200.370 2.352 20 0 BEADMP Cc1ccc(F)c(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000261541953 135181822 /nfs/dbraw/zinc/18/18/22/135181822.db2.gz MYNLWWMGHNEGSJ-NWDGAFQWSA-N 2 1 236.334 2.303 20 0 BEADMP CC[C@H]1CCC[C@H](C[N@H+](C)CC[NH2+]C)C1 ZINC000261542000 135182488 /nfs/dbraw/zinc/18/24/88/135182488.db2.gz GGAVXZLLOJEGIG-STQMWFEESA-N 2 1 212.381 2.354 20 0 BEADMP CC[C@H]1CCC[C@H](C[N@@H+](C)CC[NH2+]C)C1 ZINC000261542000 135182489 /nfs/dbraw/zinc/18/24/89/135182489.db2.gz GGAVXZLLOJEGIG-STQMWFEESA-N 2 1 212.381 2.354 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)ccc1F ZINC000261542090 135182671 /nfs/dbraw/zinc/18/26/71/135182671.db2.gz BSFKLTPYJBGGRB-CQSZACIVSA-N 2 1 236.334 2.305 20 0 BEADMP Cc1ccc(C[NH2+][C@@](C)(C[NH3+])C(C)C)c(C)n1 ZINC000261543333 135184109 /nfs/dbraw/zinc/18/41/09/135184109.db2.gz CWRXSYRWDWCSPW-AWEZNQCLSA-N 2 1 235.375 2.161 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC000261549143 135187534 /nfs/dbraw/zinc/18/75/34/135187534.db2.gz OGHKUTZUFXUHPX-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000261549578 135188571 /nfs/dbraw/zinc/18/85/71/135188571.db2.gz KQTVCDDMIFGAES-RKDXNWHRSA-N 2 1 244.285 2.113 20 0 BEADMP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC000261550987 135190523 /nfs/dbraw/zinc/19/05/23/135190523.db2.gz LRQUZASCMFDBTJ-TUVASFSCSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000261556314 135196288 /nfs/dbraw/zinc/19/62/88/135196288.db2.gz BWSNHHYCPGYUKB-ARFHVFGLSA-N 2 1 244.382 2.473 20 0 BEADMP CC1CCC(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000261562892 135204674 /nfs/dbraw/zinc/20/46/74/135204674.db2.gz WRFBCNGOUAIHDE-NRXISQOPSA-N 2 1 236.403 2.498 20 0 BEADMP Cc1cccc([C@H]2CCC[N@@H+]2CC[NH3+])c1C ZINC000261570688 135213389 /nfs/dbraw/zinc/21/33/89/135213389.db2.gz HBWGFNPUCKAJCE-CQSZACIVSA-N 2 1 218.344 2.399 20 0 BEADMP Cc1cccc([C@H]2CCC[N@H+]2CC[NH3+])c1C ZINC000261570688 135213391 /nfs/dbraw/zinc/21/33/91/135213391.db2.gz HBWGFNPUCKAJCE-CQSZACIVSA-N 2 1 218.344 2.399 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000261572768 135214748 /nfs/dbraw/zinc/21/47/48/135214748.db2.gz IGUYPHSKDIGVEJ-CYZMBNFOSA-N 2 1 236.384 2.226 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000261572770 135214848 /nfs/dbraw/zinc/21/48/48/135214848.db2.gz IGUYPHSKDIGVEJ-UHTWSYAYSA-N 2 1 236.384 2.226 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000261572771 135215009 /nfs/dbraw/zinc/21/50/09/135215009.db2.gz IGUYPHSKDIGVEJ-WCFLWFBJSA-N 2 1 236.384 2.226 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)s1 ZINC000261572769 135215075 /nfs/dbraw/zinc/21/50/75/135215075.db2.gz IGUYPHSKDIGVEJ-DRZSPHRISA-N 2 1 236.384 2.226 20 0 BEADMP C[C@@H]1C[C@@H](C)[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000164188630 135215370 /nfs/dbraw/zinc/21/53/70/135215370.db2.gz GIYRGRDOZNJLRL-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1F ZINC000261575512 135217016 /nfs/dbraw/zinc/21/70/16/135217016.db2.gz NDJLJECDSMWMIU-GUTXKFCHSA-N 2 1 248.345 2.303 20 0 BEADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261576472 135217655 /nfs/dbraw/zinc/21/76/55/135217655.db2.gz NQXHUKXOXULNQA-OCCSQVGLSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261576472 135217656 /nfs/dbraw/zinc/21/76/56/135217656.db2.gz NQXHUKXOXULNQA-OCCSQVGLSA-N 2 1 248.345 2.175 20 0 BEADMP CC(C)C[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000084385382 135218023 /nfs/dbraw/zinc/21/80/23/135218023.db2.gz PMUOJAGHODZNSK-LBPRGKRZSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000261577886 135218912 /nfs/dbraw/zinc/21/89/12/135218912.db2.gz LMSYSTILCKXGRW-AAEUAGOBSA-N 2 1 204.317 2.171 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000261577886 135218913 /nfs/dbraw/zinc/21/89/13/135218913.db2.gz LMSYSTILCKXGRW-AAEUAGOBSA-N 2 1 204.317 2.171 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261578011 135219344 /nfs/dbraw/zinc/21/93/44/135219344.db2.gz ORUGOYHYMZZVAS-BPUTZDHNSA-N 2 1 244.382 2.473 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H]2C)c(C)c1 ZINC000261579236 135219829 /nfs/dbraw/zinc/21/98/29/135219829.db2.gz MGCLVKJCRNLOPU-OCCSQVGLSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H]2C)c(C)c1 ZINC000261579236 135219830 /nfs/dbraw/zinc/21/98/30/135219830.db2.gz MGCLVKJCRNLOPU-OCCSQVGLSA-N 2 1 218.344 2.225 20 0 BEADMP CCc1nc(N[C@H]2CCCC[C@H]2C[NH3+])cc(C)[nH+]1 ZINC000261584599 135226354 /nfs/dbraw/zinc/22/63/54/135226354.db2.gz SKDZXNRBAIDBIK-RYUDHWBXSA-N 2 1 248.374 2.277 20 0 BEADMP COc1ccccc1[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000261586205 135226693 /nfs/dbraw/zinc/22/66/93/135226693.db2.gz UGNHSWPYSNQAKT-DYEKYZERSA-N 2 1 248.370 2.344 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261585622 135226795 /nfs/dbraw/zinc/22/67/95/135226795.db2.gz TYCRLJLTKXELAM-ZBFHGGJFSA-N 2 1 244.382 2.345 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000261587660 135228767 /nfs/dbraw/zinc/22/87/67/135228767.db2.gz RXSJOIAOGBJNGT-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000261589544 135229835 /nfs/dbraw/zinc/22/98/35/135229835.db2.gz WIULJQVIKAIZNY-GDBMZVCRSA-N 2 1 244.382 2.345 20 0 BEADMP C[C@H]1CC[C@@]2(CC[N@@H+](CC(C)(C)[NH3+])C2)C1 ZINC000261589647 135229847 /nfs/dbraw/zinc/22/98/47/135229847.db2.gz UAABZOQFBFNGIW-WCQYABFASA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261590122 135231369 /nfs/dbraw/zinc/23/13/69/135231369.db2.gz WVHROFQIYLTENB-KWCYVHTRSA-N 2 1 248.345 2.428 20 0 BEADMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261590122 135231371 /nfs/dbraw/zinc/23/13/71/135231371.db2.gz WVHROFQIYLTENB-KWCYVHTRSA-N 2 1 248.345 2.428 20 0 BEADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cccc(F)c1 ZINC000261591759 135232904 /nfs/dbraw/zinc/23/29/04/135232904.db2.gz VOPQYYUGRSPNMK-ZDUSSCGKSA-N 2 1 224.323 2.289 20 0 BEADMP C[C@H](C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C)c1ccccc1 ZINC000261592616 135233013 /nfs/dbraw/zinc/23/30/13/135233013.db2.gz VYNGUEIGFQZPAH-DYEKYZERSA-N 2 1 218.344 2.212 20 0 BEADMP C[C@H](C[N@H+]1CC[C@H]([NH3+])[C@@H]1C)c1ccccc1 ZINC000261592616 135233014 /nfs/dbraw/zinc/23/30/14/135233014.db2.gz VYNGUEIGFQZPAH-DYEKYZERSA-N 2 1 218.344 2.212 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1F ZINC000261594617 135234833 /nfs/dbraw/zinc/23/48/33/135234833.db2.gz ZZYYJMFJFWPQCV-UKRRQHHQSA-N 2 1 248.345 2.318 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1F ZINC000261594617 135234835 /nfs/dbraw/zinc/23/48/35/135234835.db2.gz ZZYYJMFJFWPQCV-UKRRQHHQSA-N 2 1 248.345 2.318 20 0 BEADMP C(C1CCCCC1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261597534 135237119 /nfs/dbraw/zinc/23/71/19/135237119.db2.gz ZEUMRFFJIRUTRN-ZIAGYGMSSA-N 2 1 222.376 2.251 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261546222 135238417 /nfs/dbraw/zinc/23/84/17/135238417.db2.gz GRGCUMVSEXEEKM-ZNMIVQPWSA-N 2 1 230.355 2.164 20 0 BEADMP CC[C@H]1[C@H](C)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000261546634 135239067 /nfs/dbraw/zinc/23/90/67/135239067.db2.gz LCGFSXSDRPPVDA-YPMHNXCESA-N 2 1 210.365 2.106 20 0 BEADMP C([C@H]1CCC[NH2+]C1)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000261547391 135240180 /nfs/dbraw/zinc/24/01/80/135240180.db2.gz MHSPCQAWSLPLQQ-MELADBBJSA-N 2 1 222.376 2.108 20 0 BEADMP COc1cccc(C[NH2+][C@](C)(C[NH3+])C(C)C)c1 ZINC000261547807 135240850 /nfs/dbraw/zinc/24/08/50/135240850.db2.gz IORNTQPCUGUTEW-CQSZACIVSA-N 2 1 236.359 2.158 20 0 BEADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)CC12CCC2 ZINC000261642218 135242298 /nfs/dbraw/zinc/24/22/98/135242298.db2.gz AHGYSNVKLMGUGY-ZDUSSCGKSA-N 2 1 236.403 2.498 20 0 BEADMP C[C@H](C[N@H+]1CC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000261652300 135242604 /nfs/dbraw/zinc/24/26/04/135242604.db2.gz BCXWNZFTRRUMCB-NEPJUHHUSA-N 2 1 236.334 2.210 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000261652304 135242636 /nfs/dbraw/zinc/24/26/36/135242636.db2.gz BCXWNZFTRRUMCB-RYUDHWBXSA-N 2 1 236.334 2.210 20 0 BEADMP C[C@@H]1CCC[C@@H](CC[N@H+]2CCC[NH2+]CC2)C1 ZINC000078806687 135243623 /nfs/dbraw/zinc/24/36/23/135243623.db2.gz WYCZOPFJAUQWGY-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP CC(C)[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCS1 ZINC000261729284 135248072 /nfs/dbraw/zinc/24/80/72/135248072.db2.gz GZBJBWCMIQPTKL-STQMWFEESA-N 2 1 242.432 2.059 20 0 BEADMP C[C@@H]1CC2(CCC2)C[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261740108 135248866 /nfs/dbraw/zinc/24/88/66/135248866.db2.gz IHBACOPDXKTAJN-OLZOCXBDSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC1(C)C ZINC000261768983 135251436 /nfs/dbraw/zinc/25/14/36/135251436.db2.gz MIOCHGPBBOSMQM-JSGCOSHPSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)CC1(C)C ZINC000261819317 135255437 /nfs/dbraw/zinc/25/54/37/135255437.db2.gz IFZIYVJNCXVJJX-GFCCVEGCSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC(C)(C)C1 ZINC000261829514 135256049 /nfs/dbraw/zinc/25/60/49/135256049.db2.gz IXXVULRTIVWKPG-GFCCVEGCSA-N 2 1 224.392 2.354 20 0 BEADMP Cn1cccc1[C@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261867950 135258403 /nfs/dbraw/zinc/25/84/03/135258403.db2.gz OGEBFWIOUGWAFJ-CABCVRRESA-N 2 1 247.386 2.162 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC12CCC2 ZINC000261917404 135262914 /nfs/dbraw/zinc/26/29/14/135262914.db2.gz ZUHBSANXONROJQ-KGLIPLIRSA-N 2 1 236.403 2.498 20 0 BEADMP C[C@H](C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000261953934 135266284 /nfs/dbraw/zinc/26/62/84/135266284.db2.gz GIIHAWNZOMSUQB-GYSYKLTISA-N 2 1 236.334 2.208 20 0 BEADMP C[C@H](C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000261953934 135266286 /nfs/dbraw/zinc/26/62/86/135266286.db2.gz GIIHAWNZOMSUQB-GYSYKLTISA-N 2 1 236.334 2.208 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000342416961 135266520 /nfs/dbraw/zinc/26/65/20/135266520.db2.gz JOMYUBOFJAWCMA-MJBXVCDLSA-N 2 1 242.407 2.264 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000342416961 135266521 /nfs/dbraw/zinc/26/65/21/135266521.db2.gz JOMYUBOFJAWCMA-MJBXVCDLSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@@H]1CCC[C@H](C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000261961718 135267146 /nfs/dbraw/zinc/26/71/46/135267146.db2.gz HJGBMLNDKDXVHO-YIYPIFLZSA-N 2 1 224.392 2.482 20 0 BEADMP COc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)ccc1C ZINC000262022165 135274240 /nfs/dbraw/zinc/27/42/40/135274240.db2.gz WHMDAVQPTWFBAL-OAHLLOKOSA-N 2 1 248.370 2.174 20 0 BEADMP C[C@@H]1CCC[C@H](C)[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262043234 135276094 /nfs/dbraw/zinc/27/60/94/135276094.db2.gz PJMDZKLQCWQFGX-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CCC(C)(C)C1 ZINC000262075160 135277752 /nfs/dbraw/zinc/27/77/52/135277752.db2.gz SKYXHOWRNMGDKB-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@H]1CCC(C)(C)C1 ZINC000262075161 135278024 /nfs/dbraw/zinc/27/80/24/135278024.db2.gz SKYXHOWRNMGDKB-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)C(C1CC1)C1CC1 ZINC000262089382 135279087 /nfs/dbraw/zinc/27/90/87/135279087.db2.gz URSZFVNIMPLKOP-CQSZACIVSA-N 2 1 222.376 2.106 20 0 BEADMP CC(C)(C)[C@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262110977 135279607 /nfs/dbraw/zinc/27/96/07/135279607.db2.gz WKHVMTRERXNDMK-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[C@H](C)C[N@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000299894575 135380809 /nfs/dbraw/zinc/38/08/09/135380809.db2.gz XXZBUSFFINEQTL-YNEHKIRRSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1cncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000299901256 135380902 /nfs/dbraw/zinc/38/09/02/135380902.db2.gz BKDCLXRKXXWSNM-GJZGRUSLSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1cncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000299901256 135380903 /nfs/dbraw/zinc/38/09/03/135380903.db2.gz BKDCLXRKXXWSNM-GJZGRUSLSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1ccccc1[C@H]1CC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000334398799 135388233 /nfs/dbraw/zinc/38/82/33/135388233.db2.gz XKLOXGAIEJPTSH-STQMWFEESA-N 2 1 218.344 2.132 20 0 BEADMP Cc1ccccc1[C@H]1CC[N@H+](C[C@H](C)[NH3+])C1 ZINC000334398799 135388234 /nfs/dbraw/zinc/38/82/34/135388234.db2.gz XKLOXGAIEJPTSH-STQMWFEESA-N 2 1 218.344 2.132 20 0 BEADMP Cc1ccccc1[C@@H]1CC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000334398786 135388299 /nfs/dbraw/zinc/38/82/99/135388299.db2.gz XKLOXGAIEJPTSH-CHWSQXEVSA-N 2 1 218.344 2.132 20 0 BEADMP Cc1ccccc1[C@@H]1CC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000334398786 135388300 /nfs/dbraw/zinc/38/83/00/135388300.db2.gz XKLOXGAIEJPTSH-CHWSQXEVSA-N 2 1 218.344 2.132 20 0 BEADMP C[C@H]1CN(c2cc[nH+]c3ccsc32)CC[NH2+]1 ZINC000334968834 135853282 /nfs/dbraw/zinc/85/32/82/135853282.db2.gz UCXUAXBZZFEMAH-VIFPVBQESA-N 2 1 233.340 2.094 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000335336879 136044311 /nfs/dbraw/zinc/04/43/11/136044311.db2.gz VNOOMWHPTMTKEF-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP [NH3+]C1CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000335338857 136045156 /nfs/dbraw/zinc/04/51/56/136045156.db2.gz MYKOAFHDLKHHSQ-UHFFFAOYSA-N 2 1 248.301 2.495 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2C(F)F)[C@H]2CCC[C@H]21 ZINC000348253794 136057058 /nfs/dbraw/zinc/05/70/58/136057058.db2.gz FNDHLNSTAPQOMF-YBXAARCKSA-N 2 1 244.329 2.102 20 0 BEADMP FC1(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000348336943 136075657 /nfs/dbraw/zinc/07/56/57/136075657.db2.gz SPPNAIRNRHNKEM-STQMWFEESA-N 2 1 240.366 2.485 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](F)C2)[C@@H]2CCC[C@H]21 ZINC000348391223 136076194 /nfs/dbraw/zinc/07/61/94/136076194.db2.gz HUPQOSUVPLTAOD-ZUWCUPBKSA-N 2 1 240.366 2.339 20 0 BEADMP FCC1(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000335390869 136090361 /nfs/dbraw/zinc/09/03/61/136090361.db2.gz BOQYVCUELXUPTA-RYUDHWBXSA-N 2 1 226.339 2.095 20 0 BEADMP FCC1([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000335390869 136090362 /nfs/dbraw/zinc/09/03/62/136090362.db2.gz BOQYVCUELXUPTA-RYUDHWBXSA-N 2 1 226.339 2.095 20 0 BEADMP FCC1([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000335390869 136090363 /nfs/dbraw/zinc/09/03/63/136090363.db2.gz BOQYVCUELXUPTA-RYUDHWBXSA-N 2 1 226.339 2.095 20 0 BEADMP Cc1ccncc1CCC[N@H+](C)[C@H]1CCC[C@H]1O ZINC000348554397 136096532 /nfs/dbraw/zinc/09/65/32/136096532.db2.gz LYFDPINRNJOPAU-LSDHHAIUSA-N 2 1 248.370 2.168 20 0 BEADMP Cc1ccncc1CCC[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000348554394 136096717 /nfs/dbraw/zinc/09/67/17/136096717.db2.gz LYFDPINRNJOPAU-HUUCEWRRSA-N 2 1 248.370 2.168 20 0 BEADMP Cc1cccc(C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000335559562 136100656 /nfs/dbraw/zinc/10/06/56/136100656.db2.gz DSVGQJFDNBKCPD-UHFFFAOYSA-N 2 1 230.355 2.323 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)nc1C ZINC000335595755 136104654 /nfs/dbraw/zinc/10/46/54/136104654.db2.gz OOIVTSBTIPOSPH-IUODEOHRSA-N 2 1 247.386 2.176 20 0 BEADMP COc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000335561739 136106149 /nfs/dbraw/zinc/10/61/49/136106149.db2.gz RFLTVARGGMLXDO-UHFFFAOYSA-N 2 1 246.354 2.023 20 0 BEADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC(C)(C)[NH3+] ZINC000335599111 136113731 /nfs/dbraw/zinc/11/37/31/136113731.db2.gz NPEJAXLZCYUHOC-NOZJJQNGSA-N 2 1 236.334 2.386 20 0 BEADMP C[NH2+][C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC000300829191 397778281 /nfs/dbraw/zinc/77/82/81/397778281.db2.gz HHOKXGAWKKQHKW-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP C[NH2+][C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC000300829191 397778287 /nfs/dbraw/zinc/77/82/87/397778287.db2.gz HHOKXGAWKKQHKW-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccnc1 ZINC000624122436 397807166 /nfs/dbraw/zinc/80/71/66/397807166.db2.gz REHMAMMHZLHWPE-UONOGXRCSA-N 2 1 247.386 2.464 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccnc1 ZINC000624122436 397807167 /nfs/dbraw/zinc/80/71/67/397807167.db2.gz REHMAMMHZLHWPE-UONOGXRCSA-N 2 1 247.386 2.464 20 0 BEADMP C[C@@H]1C[C@H]([NH+](C)CCc2cccnc2)CC[N@@H+]1C ZINC000172844103 397832191 /nfs/dbraw/zinc/83/21/91/397832191.db2.gz RQCUTYOOVKBWLN-UKRRQHHQSA-N 2 1 247.386 2.039 20 0 BEADMP C[C@@H]1C[C@H]([NH+](C)CCc2cccnc2)CC[N@H+]1C ZINC000172844103 397832196 /nfs/dbraw/zinc/83/21/96/397832196.db2.gz RQCUTYOOVKBWLN-UKRRQHHQSA-N 2 1 247.386 2.039 20 0 BEADMP C[C@@H]1C[C@H]([N@H+](C)CCc2cccnc2)CC[NH+]1C ZINC000172844103 397832199 /nfs/dbraw/zinc/83/21/99/397832199.db2.gz RQCUTYOOVKBWLN-UKRRQHHQSA-N 2 1 247.386 2.039 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+](C)CCc2cccnc2)CC[NH+]1C ZINC000172844103 397832201 /nfs/dbraw/zinc/83/22/01/397832201.db2.gz RQCUTYOOVKBWLN-UKRRQHHQSA-N 2 1 247.386 2.039 20 0 BEADMP C[N@@H+](CCC[NH3+])C[C@@H]1CCCC(C)(C)C1 ZINC000390433281 397889326 /nfs/dbraw/zinc/88/93/26/397889326.db2.gz AYQUHSZTVYOTTN-GFCCVEGCSA-N 2 1 212.381 2.483 20 0 BEADMP C[C@@H](Cc1ccoc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000449079187 397951407 /nfs/dbraw/zinc/95/14/07/397951407.db2.gz XPQGHSZADYYIGK-GXTWGEPZSA-N 2 1 248.370 2.285 20 0 BEADMP C[C@H](Cc1ccoc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000449079189 397951529 /nfs/dbraw/zinc/95/15/29/397951529.db2.gz XPQGHSZADYYIGK-OCCSQVGLSA-N 2 1 248.370 2.285 20 0 BEADMP CCc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)nc(C)[nH+]1 ZINC000382521978 397953626 /nfs/dbraw/zinc/95/36/26/397953626.db2.gz UCURXAQYTSDPKJ-PWSUYJOCSA-N 2 1 234.347 2.029 20 0 BEADMP C[NH2+]CC[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000414823279 398046814 /nfs/dbraw/zinc/04/68/14/398046814.db2.gz IAABQWWPNDSRMP-SNVBAGLBSA-N 2 1 226.751 2.080 20 0 BEADMP Cc1ccc(C[C@@H]2CCC[N@H+]2CCC[NH3+])cc1 ZINC000414689038 398018600 /nfs/dbraw/zinc/01/86/00/398018600.db2.gz FGWUNUOTIKVYEF-HNNXBMFYSA-N 2 1 232.371 2.351 20 0 BEADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C(C)C ZINC000336732675 398025251 /nfs/dbraw/zinc/02/52/51/398025251.db2.gz LWAHTIHKOJXWQW-CYBMUJFWSA-N 2 1 210.365 2.273 20 0 BEADMP C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)C1CC([NH3+])C1 ZINC000414764852 398028144 /nfs/dbraw/zinc/02/81/44/398028144.db2.gz BGBYCBXZYKMZRE-PPWQZUPISA-N 2 1 230.355 2.212 20 0 BEADMP CC[C@@H](C)C[NH2+]CC[N@H+](C)[C@@H](C)CC ZINC000093066881 398094223 /nfs/dbraw/zinc/09/42/23/398094223.db2.gz XCQIAPJQSUNJRJ-NEPJUHHUSA-N 2 1 200.370 2.352 20 0 BEADMP CC[C@@H](C)C[NH2+]CC[N@@H+](C)[C@@H](C)CC ZINC000093066881 398094224 /nfs/dbraw/zinc/09/42/24/398094224.db2.gz XCQIAPJQSUNJRJ-NEPJUHHUSA-N 2 1 200.370 2.352 20 0 BEADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000388644620 398052192 /nfs/dbraw/zinc/05/21/92/398052192.db2.gz PUJVUYOPOTZHMT-JHJVBQTASA-N 2 1 210.365 2.297 20 0 BEADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)OC ZINC000383993540 398102432 /nfs/dbraw/zinc/10/24/32/398102432.db2.gz NMHJWAJLKZOGPY-QWHCGFSZSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@H]1C[N@H+](CCC[NH2+]C2CCCC2)CCCO1 ZINC000061936303 398109062 /nfs/dbraw/zinc/10/90/62/398109062.db2.gz WURUZGRTCZZQRZ-ZDUSSCGKSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCCC2)CCCO1 ZINC000061936303 398109066 /nfs/dbraw/zinc/10/90/66/398109066.db2.gz WURUZGRTCZZQRZ-ZDUSSCGKSA-N 2 1 240.391 2.020 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(C2CCC2)CC1 ZINC000649810591 398116985 /nfs/dbraw/zinc/11/69/85/398116985.db2.gz RMLINMHRFILMCW-CYBMUJFWSA-N 2 1 222.376 2.393 20 0 BEADMP [NH3+]CCCC[N@H+]1CCCc2ccccc2C1 ZINC000062944366 1172791592 /nfs/dbraw/zinc/79/15/92/1172791592.db2.gz LCESTNVJILXCIZ-UHFFFAOYSA-N 2 1 218.344 2.174 20 0 BEADMP C1CCC2(C1)CC[NH+](C1CC[NH2+]CC1)CC2 ZINC000062954128 1172793811 /nfs/dbraw/zinc/79/38/11/1172793811.db2.gz WIOHJPLLOXILLA-UHFFFAOYSA-N 2 1 222.376 2.395 20 0 BEADMP C[N@H+](Cc1cccc(N)c1)CC1CC[NH+](C)CC1 ZINC000063119707 1172799745 /nfs/dbraw/zinc/79/97/45/1172799745.db2.gz BLOBTJBAUKPIEK-UHFFFAOYSA-N 2 1 247.386 2.042 20 0 BEADMP CC(C)[NH2+]C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040668401 167117603 /nfs/dbraw/zinc/11/76/03/167117603.db2.gz SDCFIEBGHKXLIW-STQMWFEESA-N 2 1 212.381 2.495 20 0 BEADMP C[NH2+]CC[NH2+][C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000238342830 487572766 /nfs/dbraw/zinc/57/27/66/487572766.db2.gz ILINFHFXQJYIOQ-UPJWGTAASA-N 2 1 212.381 2.256 20 0 BEADMP CC(C)OCCC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352504847 167212727 /nfs/dbraw/zinc/21/27/27/167212727.db2.gz VIJFQJJYCMVWCQ-ZDUSSCGKSA-N 2 1 228.380 2.005 20 0 BEADMP CC1=C[C@H](C)C[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000685839070 487585218 /nfs/dbraw/zinc/58/52/18/487585218.db2.gz YWFMQHHTNUNLGK-CYUUQNCZSA-N 2 1 234.387 2.130 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668820998 487596501 /nfs/dbraw/zinc/59/65/01/487596501.db2.gz ZZCGQSMIIVMAOT-YUELXQCFSA-N 2 1 236.403 2.354 20 0 BEADMP Cc1ccoc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001651697620 1172976648 /nfs/dbraw/zinc/97/66/48/1172976648.db2.gz DRVKPTFTLAACDL-YNEHKIRRSA-N 2 1 234.343 2.018 20 0 BEADMP Cc1ccoc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001651697620 1172976652 /nfs/dbraw/zinc/97/66/52/1172976652.db2.gz DRVKPTFTLAACDL-YNEHKIRRSA-N 2 1 234.343 2.018 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cccs3)[C@H]2C1 ZINC001651698262 1172976750 /nfs/dbraw/zinc/97/67/50/1172976750.db2.gz UDYXAXLYVBCINI-WCFLWFBJSA-N 2 1 236.384 2.178 20 0 BEADMP COCC[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000531780034 487602014 /nfs/dbraw/zinc/60/20/14/487602014.db2.gz ZEBCUCWWHIPQQA-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP COCC[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000531780034 487602018 /nfs/dbraw/zinc/60/20/18/487602018.db2.gz ZEBCUCWWHIPQQA-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP COCC[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000531780034 487602021 /nfs/dbraw/zinc/60/20/21/487602021.db2.gz ZEBCUCWWHIPQQA-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000308965246 487602305 /nfs/dbraw/zinc/60/23/05/487602305.db2.gz LYJNKKINJOAFMZ-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)SCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000336677684 167326525 /nfs/dbraw/zinc/32/65/25/167326525.db2.gz ICNMROKACVWYAC-GFCCVEGCSA-N 2 1 230.421 2.012 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC3CC=CC3)C[C@@H]21 ZINC000662265064 409561576 /nfs/dbraw/zinc/56/15/76/409561576.db2.gz FUCICWBUZLRUSN-HZSPNIEDSA-N 2 1 220.360 2.012 20 0 BEADMP C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C1CCC1 ZINC000662275058 409585210 /nfs/dbraw/zinc/58/52/10/409585210.db2.gz QOTMYEVXRKBPDE-LSDHHAIUSA-N 2 1 236.403 2.498 20 0 BEADMP CO[C@@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)C1CCCC1 ZINC000662277285 409590123 /nfs/dbraw/zinc/59/01/23/409590123.db2.gz PEJVNZFPMCMMCW-STQMWFEESA-N 2 1 242.407 2.155 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000662282906 409607572 /nfs/dbraw/zinc/60/75/72/409607572.db2.gz DGAUQYCKLCWKPF-HBNTYKKESA-N 2 1 234.334 2.479 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCC1CCC1 ZINC000662284758 409615311 /nfs/dbraw/zinc/61/53/11/409615311.db2.gz PGFADEHBDLHCQR-YPMHNXCESA-N 2 1 210.365 2.378 20 0 BEADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CC2CCCCCC2)CCO1 ZINC000132598304 409670567 /nfs/dbraw/zinc/67/05/67/409670567.db2.gz BMRUAPHXVLFIOS-TZMCWYRMSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CC2CCCCCC2)CCO1 ZINC000132598304 409670572 /nfs/dbraw/zinc/67/05/72/409670572.db2.gz BMRUAPHXVLFIOS-TZMCWYRMSA-N 2 1 240.391 2.005 20 0 BEADMP C[N@@H+](Cc1cccs1)[C@H]1CCC[NH2+]CC1 ZINC000082666685 409849594 /nfs/dbraw/zinc/84/95/94/409849594.db2.gz JZZJJDDLCCAHSZ-NSHDSACASA-N 2 1 224.373 2.322 20 0 BEADMP CCC[N@@H+](C[C@@H]1CCCCO1)C1CC[NH2+]CC1 ZINC000037539186 410201865 /nfs/dbraw/zinc/20/18/65/410201865.db2.gz BUURVQQERXDXKB-AWEZNQCLSA-N 2 1 240.391 2.020 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCC1CC1 ZINC000680542746 487614586 /nfs/dbraw/zinc/61/45/86/487614586.db2.gz WCMGGCPUWSJSHO-UHFFFAOYSA-N 2 1 233.359 2.427 20 0 BEADMP C[C@H]1C[N@@H+](Cc2cccc3c2CCC3)CC[C@@H]1[NH3+] ZINC000650703246 410335158 /nfs/dbraw/zinc/33/51/58/410335158.db2.gz QYZUBTWLWWUKFV-LRDDRELGSA-N 2 1 244.382 2.344 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000650703283 410336375 /nfs/dbraw/zinc/33/63/75/410336375.db2.gz SNYHTYYKMFNUCV-TZMCWYRMSA-N 2 1 244.382 2.344 20 0 BEADMP C[C@@H]1C[N@@H+](CCC[NH3+])CCc2ccc(F)cc21 ZINC000650725135 410361682 /nfs/dbraw/zinc/36/16/82/410361682.db2.gz UFJVQLMOOKFDRX-LLVKDONJSA-N 2 1 236.334 2.136 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000650741624 410375782 /nfs/dbraw/zinc/37/57/82/410375782.db2.gz HXYOSUBILFYIRO-XQHKEYJVSA-N 2 1 224.392 2.399 20 0 BEADMP CCC(CC)C[N@@H+](CC)C[C@H]1CC[NH2+]C1 ZINC000051889642 410570654 /nfs/dbraw/zinc/57/06/54/410570654.db2.gz CSCAROODDCDRNL-ZDUSSCGKSA-N 2 1 212.381 2.354 20 0 BEADMP CO[C@H](C[N@H+]1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000393283933 410674601 /nfs/dbraw/zinc/67/46/01/410674601.db2.gz BRSKJNDFRBRNLL-CABCVRRESA-N 2 1 248.370 2.045 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1C ZINC000665245935 410729695 /nfs/dbraw/zinc/72/96/95/410729695.db2.gz VFOFYXCLXWEGDA-CZUORRHYSA-N 2 1 246.398 2.434 20 0 BEADMP C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000665266551 410739254 /nfs/dbraw/zinc/73/92/54/410739254.db2.gz FCYFZUNQTSKRIC-GMTAPVOTSA-N 2 1 232.318 2.152 20 0 BEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccccc1N(C)C ZINC000653299262 410817405 /nfs/dbraw/zinc/81/74/05/410817405.db2.gz MGUCJXNWAHDZBN-GXTWGEPZSA-N 2 1 247.386 2.064 20 0 BEADMP CC(C)OCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127788258 167222986 /nfs/dbraw/zinc/22/29/86/167222986.db2.gz FOPUAUSBUNVECE-ZIAGYGMSSA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)Oc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000342112498 167294598 /nfs/dbraw/zinc/29/45/98/167294598.db2.gz ADOKBCMTGZCUGV-UHFFFAOYSA-N 2 1 248.370 2.445 20 0 BEADMP C[C@H](CCCCO)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000398446649 410963727 /nfs/dbraw/zinc/96/37/27/410963727.db2.gz YUUXFDDIKKMHMZ-OCCSQVGLSA-N 2 1 242.407 2.035 20 0 BEADMP C[C@@H](C[N@@H+](C)C1CC[NH2+]CC1)C(C)(C)C ZINC000399423753 411040096 /nfs/dbraw/zinc/04/00/96/411040096.db2.gz CFPJCWZBDXFLRJ-NSHDSACASA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@H]1C[C@@H]1C ZINC000651865870 411148089 /nfs/dbraw/zinc/14/80/89/411148089.db2.gz KQLCMTSALPHJOK-QWHCGFSZSA-N 2 1 212.381 2.210 20 0 BEADMP [NH3+]CCC[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000655948835 411161070 /nfs/dbraw/zinc/16/10/70/411161070.db2.gz FRDLYCVHWGLLMY-CYBMUJFWSA-N 2 1 210.365 2.380 20 0 BEADMP C[N@H+]1CCC[C@H]2C[NH+](CC3CC=CC3)CC[C@@H]21 ZINC000660009878 411172887 /nfs/dbraw/zinc/17/28/87/411172887.db2.gz CIIKLEYYTBMOOL-GJZGRUSLSA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@H+](CC3CC=CC3)CC[C@@H]21 ZINC000660009878 411172890 /nfs/dbraw/zinc/17/28/90/411172890.db2.gz CIIKLEYYTBMOOL-GJZGRUSLSA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3CC=CC3)CC[C@@H]21 ZINC000660009878 411172893 /nfs/dbraw/zinc/17/28/93/411172893.db2.gz CIIKLEYYTBMOOL-GJZGRUSLSA-N 2 1 234.387 2.369 20 0 BEADMP COC[C@H](CC(C)(C)C)[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC000656193607 411199517 /nfs/dbraw/zinc/19/95/17/411199517.db2.gz OUJPFMCUQFYSSD-UPJWGTAASA-N 2 1 242.407 2.025 20 0 BEADMP CC(C)c1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)on1 ZINC000656196003 411201108 /nfs/dbraw/zinc/20/11/08/411201108.db2.gz SAEYWZCSEQWVKD-MNOVXSKESA-N 2 1 237.347 2.158 20 0 BEADMP COc1c(C)cccc1C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000656201311 411206460 /nfs/dbraw/zinc/20/64/60/411206460.db2.gz VGRQSIDQNNCPRC-QWHCGFSZSA-N 2 1 248.370 2.091 20 0 BEADMP COc1c(C)cccc1C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000656201310 411206499 /nfs/dbraw/zinc/20/64/99/411206499.db2.gz VGRQSIDQNNCPRC-OLZOCXBDSA-N 2 1 248.370 2.091 20 0 BEADMP CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000652343557 411208014 /nfs/dbraw/zinc/20/80/14/411208014.db2.gz WIOQRHMZQYYXJM-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000652343560 411208145 /nfs/dbraw/zinc/20/81/45/411208145.db2.gz WIOQRHMZQYYXJM-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP CCCCC[C@@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000652343687 411208297 /nfs/dbraw/zinc/20/82/97/411208297.db2.gz FTOWCFXDOQZRGQ-CYBMUJFWSA-N 2 1 228.380 2.006 20 0 BEADMP [NH3+]CCC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000652359930 411218274 /nfs/dbraw/zinc/21/82/74/411218274.db2.gz KFSPRTZVOPQMMZ-UHFFFAOYSA-N 2 1 249.358 2.113 20 0 BEADMP CCCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652360348 411218755 /nfs/dbraw/zinc/21/87/55/411218755.db2.gz FXFKFCJNKNJLMK-MGPQQGTHSA-N 2 1 240.391 2.147 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)[C@@H]1C ZINC000423193333 411237979 /nfs/dbraw/zinc/23/79/79/411237979.db2.gz XDRYRUBJHSLGIU-UMVBOHGHSA-N 2 1 247.386 2.195 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655710051 411262592 /nfs/dbraw/zinc/26/25/92/411262592.db2.gz ADXIIUKGINCUFU-JQWIXIFHSA-N 2 1 239.388 2.065 20 0 BEADMP Cc1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000051889912 411284794 /nfs/dbraw/zinc/28/47/94/411284794.db2.gz ABGGVDFTHNHVJK-CQSZACIVSA-N 2 1 218.344 2.036 20 0 BEADMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000051889821 411285979 /nfs/dbraw/zinc/28/59/79/411285979.db2.gz KBOIENMSRJEDCI-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CC2(F)F)CC[N@H+]1C ZINC000658218639 411298942 /nfs/dbraw/zinc/29/89/42/411298942.db2.gz KJLQNQYKDFGRCZ-VWYCJHECSA-N 2 1 232.318 2.104 20 0 BEADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)O1 ZINC000658220348 411299522 /nfs/dbraw/zinc/29/95/22/411299522.db2.gz PTSPCOZABSFFQI-AAVRWANBSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@H]1C[NH2+]C[C@H]([NH2+]CC2CCCCC2)C1 ZINC000401784571 411330649 /nfs/dbraw/zinc/33/06/49/411330649.db2.gz YWAIDSPSSYKKGM-DGCLKSJQSA-N 2 1 210.365 2.154 20 0 BEADMP C[C@@H](c1cccnc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402901438 411320973 /nfs/dbraw/zinc/32/09/73/411320973.db2.gz VGYZTJOXFSAWTN-QEJZJMRPSA-N 2 1 245.370 2.203 20 0 BEADMP CC[C@@H](C)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402980124 411324551 /nfs/dbraw/zinc/32/45/51/411324551.db2.gz HPHLQISGXQDDMM-AGIUHOORSA-N 2 1 210.365 2.093 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC2=CCCC2)[C@H](C)C1 ZINC000658292657 411325800 /nfs/dbraw/zinc/32/58/00/411325800.db2.gz FSUIYMCXJKBWPT-OCCSQVGLSA-N 2 1 222.376 2.417 20 0 BEADMP C[C@H](CC(C)(C)C)[NH2+]CCc1c[nH+]cn1C ZINC000401639147 411257668 /nfs/dbraw/zinc/25/76/68/411257668.db2.gz GCXPWWLJFBZSKN-LLVKDONJSA-N 2 1 223.364 2.377 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783362 411359393 /nfs/dbraw/zinc/35/93/93/411359393.db2.gz PWTFOTXWQBWWOT-YUELXQCFSA-N 2 1 236.403 2.354 20 0 BEADMP FC1(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000656782548 411359405 /nfs/dbraw/zinc/35/94/05/411359405.db2.gz HKGKKZPZPDNPCO-CYBMUJFWSA-N 2 1 240.366 2.200 20 0 BEADMP CC1(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000656782403 411360079 /nfs/dbraw/zinc/36/00/79/411360079.db2.gz FZHUTDSIIJMWAW-AWEZNQCLSA-N 2 1 236.403 2.498 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2ccc(F)cc2)CCCC1 ZINC000656788282 411367419 /nfs/dbraw/zinc/36/74/19/411367419.db2.gz HSWPPPGKOZFEAW-UHFFFAOYSA-N 2 1 222.307 2.187 20 0 BEADMP Cc1cc(F)ccc1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788417 411367931 /nfs/dbraw/zinc/36/79/31/411367931.db2.gz OQDCQPDNBFMWDD-UHFFFAOYSA-N 2 1 236.334 2.495 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2cccc(F)c2)CCCC1 ZINC000656788391 411368252 /nfs/dbraw/zinc/36/82/52/411368252.db2.gz MWJPJLBNBCLAER-UHFFFAOYSA-N 2 1 222.307 2.187 20 0 BEADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]CC2CC2)cc1 ZINC000656788991 411369148 /nfs/dbraw/zinc/36/91/48/411369148.db2.gz LTLGKQWDNHEVQI-HUUCEWRRSA-N 2 1 230.355 2.132 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](CCF)C2)CC[NH2+]1 ZINC000656790834 411370381 /nfs/dbraw/zinc/37/03/81/411370381.db2.gz BITBVESPENEHOB-RDBSUJKOSA-N 2 1 242.382 2.446 20 0 BEADMP C[C@H](Cc1cccs1)[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000401808957 411334536 /nfs/dbraw/zinc/33/45/36/411334536.db2.gz RYLKKWLABHZIIP-TUAOUCFPSA-N 2 1 238.400 2.267 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CCCc2ccco2)CC[N@H+]1C ZINC000658327781 411335756 /nfs/dbraw/zinc/33/57/56/411335756.db2.gz RKCPLCCSXOPDOO-QWHCGFSZSA-N 2 1 236.359 2.285 20 0 BEADMP CC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000336666750 168041352 /nfs/dbraw/zinc/04/13/52/168041352.db2.gz QEWPJIFIPKMESS-UHFFFAOYSA-N 2 1 222.376 2.393 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC=C(C)CC1 ZINC000284188960 168117128 /nfs/dbraw/zinc/11/71/28/168117128.db2.gz RLPDIPQUQVRSIL-CYBMUJFWSA-N 2 1 219.332 2.280 20 0 BEADMP CC1CCC(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000063145739 168153475 /nfs/dbraw/zinc/15/34/75/168153475.db2.gz MKTSOJLVKAKZHW-HHTDUIENSA-N 2 1 224.392 2.482 20 0 BEADMP CC1CCC([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000019917799 168163350 /nfs/dbraw/zinc/16/33/50/168163350.db2.gz VIUJVHFHMOGHTO-UHFFFAOYSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1CCC[N@@H+](Cc2cncs2)[C@@H]1CC[NH3+] ZINC000404277093 411387873 /nfs/dbraw/zinc/38/78/73/411387873.db2.gz BEPXJVMDIFBRJT-CMPLNLGQSA-N 2 1 239.388 2.092 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404324970 411391017 /nfs/dbraw/zinc/39/10/17/411391017.db2.gz UFVNWHBLXICAMD-RWMBFGLXSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H]1CCC[N@@H+](Cc2cccnc2)[C@H]1CC[NH3+] ZINC000404379087 411392408 /nfs/dbraw/zinc/39/24/08/411392408.db2.gz LOKHHMAWBSLIDR-OCCSQVGLSA-N 2 1 233.359 2.031 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000070360813 411409528 /nfs/dbraw/zinc/40/95/28/411409528.db2.gz IVHYBZVNJBERCT-STQMWFEESA-N 2 1 242.407 2.264 20 0 BEADMP C[NH2+]CCC[N@H+]1CCc2ccccc2[C@H](C)C1 ZINC000405004776 411413479 /nfs/dbraw/zinc/41/34/79/411413479.db2.gz JADAFVCSOCOAHA-CYBMUJFWSA-N 2 1 232.371 2.258 20 0 BEADMP Cc1cc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)nc(C)[nH+]1 ZINC000267250876 411419803 /nfs/dbraw/zinc/41/98/03/411419803.db2.gz IJRNUCWREJCUOT-CHWSQXEVSA-N 2 1 248.374 2.378 20 0 BEADMP CC[C@@H]1C[N@H+](Cc2scnc2C)CC[C@@H]1[NH3+] ZINC000122240114 411426297 /nfs/dbraw/zinc/42/62/97/411426297.db2.gz ORXZEECOXJYYKJ-MNOVXSKESA-N 2 1 239.388 2.011 20 0 BEADMP CC[C@@H]1C[N@@H+](Cc2scnc2C)CC[C@@H]1[NH3+] ZINC000122240114 411426298 /nfs/dbraw/zinc/42/62/98/411426298.db2.gz ORXZEECOXJYYKJ-MNOVXSKESA-N 2 1 239.388 2.011 20 0 BEADMP CC[C@@H]1C[N@H+]([C@@H](C)c2ccccn2)CC[C@@H]1[NH3+] ZINC000122269373 411427201 /nfs/dbraw/zinc/42/72/01/411427201.db2.gz VMGMNDIWKUHLMT-XQQFMLRXSA-N 2 1 233.359 2.202 20 0 BEADMP CC1([NH3+])CC[NH+](Cc2ccsc2)CC1 ZINC000307385642 411472452 /nfs/dbraw/zinc/47/24/52/411472452.db2.gz KKCSLURYEIQTRR-UHFFFAOYSA-N 2 1 210.346 2.061 20 0 BEADMP Cc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])c(C)c1 ZINC000415003692 411482201 /nfs/dbraw/zinc/48/22/01/411482201.db2.gz GKHYTSNAFJDDLL-NWDGAFQWSA-N 2 1 206.333 2.129 20 0 BEADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000660415641 411488761 /nfs/dbraw/zinc/48/87/61/411488761.db2.gz GTZHHYLCXBLCCI-XGUBFFRZSA-N 2 1 236.403 2.449 20 0 BEADMP CC(C)=CCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000659925491 411500427 /nfs/dbraw/zinc/50/04/27/411500427.db2.gz JNSBHSZWIRWFEC-CYBMUJFWSA-N 2 1 210.365 2.226 20 0 BEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2C[C@H]3C[C@H]3C2)CC[N@@H+]1C ZINC000659983698 411517664 /nfs/dbraw/zinc/51/76/64/411517664.db2.gz SNBGTCNNFWVOGE-UXXRCYHCSA-N 2 1 236.403 2.447 20 0 BEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2C[C@H]3C[C@H]3C2)CC[N@H+]1C ZINC000659983698 411517665 /nfs/dbraw/zinc/51/76/65/411517665.db2.gz SNBGTCNNFWVOGE-UXXRCYHCSA-N 2 1 236.403 2.447 20 0 BEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2C[C@H]3C[C@H]3C2)CC[NH+]1C ZINC000659983698 411517668 /nfs/dbraw/zinc/51/76/68/411517668.db2.gz SNBGTCNNFWVOGE-UXXRCYHCSA-N 2 1 236.403 2.447 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2C[C@H]3C[C@H]3C2)CC[NH+]1C ZINC000659983698 411517671 /nfs/dbraw/zinc/51/76/71/411517671.db2.gz SNBGTCNNFWVOGE-UXXRCYHCSA-N 2 1 236.403 2.447 20 0 BEADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3CC=CC3)CC[C@@H]21 ZINC000660009877 411527495 /nfs/dbraw/zinc/52/74/95/411527495.db2.gz CIIKLEYYTBMOOL-CABCVRRESA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3CC=CC3)CC[C@@H]21 ZINC000660009877 411527496 /nfs/dbraw/zinc/52/74/96/411527496.db2.gz CIIKLEYYTBMOOL-CABCVRRESA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3CC=CC3)CC[C@@H]21 ZINC000660009877 411527499 /nfs/dbraw/zinc/52/74/99/411527499.db2.gz CIIKLEYYTBMOOL-CABCVRRESA-N 2 1 234.387 2.369 20 0 BEADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cncs2)C1 ZINC000132426648 170007526 /nfs/dbraw/zinc/00/75/26/170007526.db2.gz ZQLWLVXAVOEWLS-QWRGUYRKSA-N 2 1 239.388 2.136 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cncs2)C1 ZINC000132426648 170007528 /nfs/dbraw/zinc/00/75/28/170007528.db2.gz ZQLWLVXAVOEWLS-QWRGUYRKSA-N 2 1 239.388 2.136 20 0 BEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC000037484201 170007833 /nfs/dbraw/zinc/00/78/33/170007833.db2.gz WAGOGPRVDQKLOO-NSHDSACASA-N 2 1 224.373 2.180 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC000037484201 170007834 /nfs/dbraw/zinc/00/78/34/170007834.db2.gz WAGOGPRVDQKLOO-NSHDSACASA-N 2 1 224.373 2.180 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000309953722 170009359 /nfs/dbraw/zinc/00/93/59/170009359.db2.gz HIKPEQRBDDCSHZ-QWHCGFSZSA-N 2 1 222.376 2.251 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCSC(C)C)[C@@H](C)C1 ZINC000336780277 170010967 /nfs/dbraw/zinc/01/09/67/170010967.db2.gz QTCMVVZOZIOSDP-QWHCGFSZSA-N 2 1 244.448 2.448 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCCOC)[C@H](C)C1 ZINC000122666001 170011180 /nfs/dbraw/zinc/01/11/80/170011180.db2.gz HQKOAIOWVOXRMZ-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP CC[N@H+]1CC[C@@H](NCc2cccc(O)c2)[C@H](C)C1 ZINC000173363017 170011491 /nfs/dbraw/zinc/01/14/91/170011491.db2.gz ZRMUKUDKAOYBNI-IUODEOHRSA-N 2 1 248.370 2.212 20 0 BEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(O)c2)[C@H](C)C1 ZINC000173363017 170011495 /nfs/dbraw/zinc/01/14/95/170011495.db2.gz ZRMUKUDKAOYBNI-IUODEOHRSA-N 2 1 248.370 2.212 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(O)c2)[C@H](C)C1 ZINC000173363017 170011497 /nfs/dbraw/zinc/01/14/97/170011497.db2.gz ZRMUKUDKAOYBNI-IUODEOHRSA-N 2 1 248.370 2.212 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2C)C1 ZINC000037643769 170016308 /nfs/dbraw/zinc/01/63/08/170016308.db2.gz LLTJYSAZRBTBAZ-CQSZACIVSA-N 2 1 232.371 2.426 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnccc2C)C1 ZINC000271375133 170016509 /nfs/dbraw/zinc/01/65/09/170016509.db2.gz HKLJGFMTGFBFFR-UONOGXRCSA-N 2 1 247.386 2.382 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC2CC2)[C@H](C)C1 ZINC000336671498 170018484 /nfs/dbraw/zinc/01/84/84/170018484.db2.gz YULJXPKRASGVSH-OCCSQVGLSA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC2CC2)[C@H](C)C1 ZINC000336671498 170018485 /nfs/dbraw/zinc/01/84/85/170018485.db2.gz YULJXPKRASGVSH-OCCSQVGLSA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC2CC2)[C@H](C)C1 ZINC000336671498 170018487 /nfs/dbraw/zinc/01/84/87/170018487.db2.gz YULJXPKRASGVSH-OCCSQVGLSA-N 2 1 224.392 2.449 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CC(C)C)C[C@H]1C ZINC000336643810 170018572 /nfs/dbraw/zinc/01/85/72/170018572.db2.gz DSODZKHMPBFUQF-OLZOCXBDSA-N 2 1 212.381 2.447 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CC(C)C)C[C@H]1C ZINC000336643810 170018573 /nfs/dbraw/zinc/01/85/73/170018573.db2.gz DSODZKHMPBFUQF-OLZOCXBDSA-N 2 1 212.381 2.447 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC(C)C)C[C@H]1C ZINC000336643810 170018575 /nfs/dbraw/zinc/01/85/75/170018575.db2.gz DSODZKHMPBFUQF-OLZOCXBDSA-N 2 1 212.381 2.447 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCSC(C)C)[C@H](C)C1 ZINC000336780276 170021329 /nfs/dbraw/zinc/02/13/29/170021329.db2.gz QTCMVVZOZIOSDP-OLZOCXBDSA-N 2 1 244.448 2.448 20 0 BEADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280490910 170040950 /nfs/dbraw/zinc/04/09/50/170040950.db2.gz QEWCPQVDZXGIBS-GASCZTMLSA-N 2 1 230.355 2.070 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280490910 170040951 /nfs/dbraw/zinc/04/09/51/170040951.db2.gz QEWCPQVDZXGIBS-GASCZTMLSA-N 2 1 230.355 2.070 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280490910 170040952 /nfs/dbraw/zinc/04/09/52/170040952.db2.gz QEWCPQVDZXGIBS-GASCZTMLSA-N 2 1 230.355 2.070 20 0 BEADMP CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000307624118 170041087 /nfs/dbraw/zinc/04/10/87/170041087.db2.gz FJTSJNSPVZSZPB-CVEARBPZSA-N 2 1 244.382 2.460 20 0 BEADMP CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000307624118 170041088 /nfs/dbraw/zinc/04/10/88/170041088.db2.gz FJTSJNSPVZSZPB-CVEARBPZSA-N 2 1 244.382 2.460 20 0 BEADMP CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000307624118 170041089 /nfs/dbraw/zinc/04/10/89/170041089.db2.gz FJTSJNSPVZSZPB-CVEARBPZSA-N 2 1 244.382 2.460 20 0 BEADMP CC[NH2+]CC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000042302684 170113436 /nfs/dbraw/zinc/11/34/36/170113436.db2.gz GIKOPQSOMMGUJO-STQMWFEESA-N 2 1 210.365 2.251 20 0 BEADMP CC[NH2+]CC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000042302684 170113438 /nfs/dbraw/zinc/11/34/38/170113438.db2.gz GIKOPQSOMMGUJO-STQMWFEESA-N 2 1 210.365 2.251 20 0 BEADMP CC[NH2+]CC[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000044381098 170113577 /nfs/dbraw/zinc/11/35/77/170113577.db2.gz UFUBHSPJVRCYBR-CHWSQXEVSA-N 2 1 210.365 2.108 20 0 BEADMP CC[NH2+]CC[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000044381098 170113579 /nfs/dbraw/zinc/11/35/79/170113579.db2.gz UFUBHSPJVRCYBR-CHWSQXEVSA-N 2 1 210.365 2.108 20 0 BEADMP C[NH+]1CCC([NH2+]CC[C@@]2(C)CC2(F)F)CC1 ZINC000657669960 411574701 /nfs/dbraw/zinc/57/47/01/411574701.db2.gz BYDOPGITPDQANX-NSHDSACASA-N 2 1 232.318 2.106 20 0 BEADMP C[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1(F)F ZINC000657663454 411576568 /nfs/dbraw/zinc/57/65/68/411576568.db2.gz BOOHCBWMERGZBC-IJLUTSLNSA-N 2 1 244.329 2.248 20 0 BEADMP CC1(C)C[C@]1(C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657761395 411591489 /nfs/dbraw/zinc/59/14/89/411591489.db2.gz KAOBNEKQXWUZLL-DYEKYZERSA-N 2 1 222.376 2.391 20 0 BEADMP c1coc(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000657781640 411597644 /nfs/dbraw/zinc/59/76/44/411597644.db2.gz FOAJYVQJXKACJN-KGLIPLIRSA-N 2 1 248.370 2.429 20 0 BEADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@@H]1CCSC1 ZINC000657793463 411598590 /nfs/dbraw/zinc/59/85/90/411598590.db2.gz UNPITNCOXLSITJ-LBPRGKRZSA-N 2 1 244.448 2.450 20 0 BEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@@H]1CCSC1 ZINC000657793463 411598592 /nfs/dbraw/zinc/59/85/92/411598592.db2.gz UNPITNCOXLSITJ-LBPRGKRZSA-N 2 1 244.448 2.450 20 0 BEADMP C[N@H+]1CCC[C@]2(CC[NH+](CC3CC=CC3)C2)C1 ZINC000660639332 411610967 /nfs/dbraw/zinc/61/09/67/411610967.db2.gz FGDYSOVFGGKTCC-HNNXBMFYSA-N 2 1 234.387 2.370 20 0 BEADMP C[NH+]1CCC[C@]2(CC[N@H+](CC3CC=CC3)C2)C1 ZINC000660639332 411610969 /nfs/dbraw/zinc/61/09/69/411610969.db2.gz FGDYSOVFGGKTCC-HNNXBMFYSA-N 2 1 234.387 2.370 20 0 BEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CC3CC=CC3)C2)C1 ZINC000660639332 411610970 /nfs/dbraw/zinc/61/09/70/411610970.db2.gz FGDYSOVFGGKTCC-HNNXBMFYSA-N 2 1 234.387 2.370 20 0 BEADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC000660641816 411611154 /nfs/dbraw/zinc/61/11/54/411611154.db2.gz KCJUWGWFDFABCX-FZKCQIBNSA-N 2 1 248.414 2.450 20 0 BEADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC000660641816 411611156 /nfs/dbraw/zinc/61/11/56/411611156.db2.gz KCJUWGWFDFABCX-FZKCQIBNSA-N 2 1 248.414 2.450 20 0 BEADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC000660641816 411611158 /nfs/dbraw/zinc/61/11/58/411611158.db2.gz KCJUWGWFDFABCX-FZKCQIBNSA-N 2 1 248.414 2.450 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCSCC1 ZINC000657863435 411613573 /nfs/dbraw/zinc/61/35/73/411613573.db2.gz ITRMKPJYGXPFND-GFCCVEGCSA-N 2 1 239.388 2.067 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CC(CF)(CF)C1 ZINC000657873851 411615287 /nfs/dbraw/zinc/61/52/87/411615287.db2.gz ZPDOPXKJDYUWJE-LLVKDONJSA-N 2 1 248.361 2.394 20 0 BEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000660662776 411615758 /nfs/dbraw/zinc/61/57/58/411615758.db2.gz WHQNFDJNNGVJGK-QKPAOTATSA-N 2 1 248.414 2.450 20 0 BEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000660662776 411615760 /nfs/dbraw/zinc/61/57/60/411615760.db2.gz WHQNFDJNNGVJGK-QKPAOTATSA-N 2 1 248.414 2.450 20 0 BEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000660662776 411615762 /nfs/dbraw/zinc/61/57/62/411615762.db2.gz WHQNFDJNNGVJGK-QKPAOTATSA-N 2 1 248.414 2.450 20 0 BEADMP Cc1cccc([C@@H](C)[N@@H+](C)CCC[NH3+])c1 ZINC000133229180 411659672 /nfs/dbraw/zinc/65/96/72/411659672.db2.gz HVCXCHZUDZNISP-GFCCVEGCSA-N 2 1 206.333 2.337 20 0 BEADMP Cc1cccc(C)c1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663498634 411682184 /nfs/dbraw/zinc/68/21/84/411682184.db2.gz RKVROQPCZNYSAC-UHFFFAOYSA-N 2 1 230.355 2.145 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000663508473 411689042 /nfs/dbraw/zinc/68/90/42/411689042.db2.gz APVHNICAHOXLMM-NWDGAFQWSA-N 2 1 238.350 2.344 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000663514764 411694817 /nfs/dbraw/zinc/69/48/17/411694817.db2.gz SUETUBSAYQSNEW-SDDRHHMPSA-N 2 1 212.381 2.399 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000663513774 411695934 /nfs/dbraw/zinc/69/59/34/411695934.db2.gz MHZAVKDDWITFJG-GHMZBOCLSA-N 2 1 224.323 2.127 20 0 BEADMP CC[N@H+]1CCN(c2[nH+]ccc3[nH]ccc32)C[C@H]1C ZINC000663743532 411736310 /nfs/dbraw/zinc/73/63/10/411736310.db2.gz BVHGHDBJOSZZDY-LLVKDONJSA-N 2 1 244.342 2.093 20 0 BEADMP C[C@@H]1CN(c2[nH+]ccc3[nH]ccc32)C[C@H](C)[N@@H+]1C ZINC000663943185 411784646 /nfs/dbraw/zinc/78/46/46/411784646.db2.gz WZLKRRYQQMVJBN-PHIMTYICSA-N 2 1 244.342 2.092 20 0 BEADMP C[C@H](CCNc1[nH]c2ccccc2[nH+]1)[NH+](C)C ZINC000664243523 411894644 /nfs/dbraw/zinc/89/46/44/411894644.db2.gz LRHRWDQTXOZVAX-SNVBAGLBSA-N 2 1 232.331 2.315 20 0 BEADMP CCc1cc(NCC[C@@H](C)[NH+](C)C)nc(C)[nH+]1 ZINC000664245148 411897596 /nfs/dbraw/zinc/89/75/96/411897596.db2.gz XZCJAUCUKOFRGK-SNVBAGLBSA-N 2 1 236.363 2.100 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000221516521 487621127 /nfs/dbraw/zinc/62/11/27/487621127.db2.gz RXFKURYNWJQPFN-NEPJUHHUSA-N 2 1 212.381 2.210 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]C1(CC(C)C)CC1 ZINC000662067528 411970127 /nfs/dbraw/zinc/97/01/27/411970127.db2.gz YNUQLGPMNWTXOQ-UHFFFAOYSA-N 2 1 221.348 2.360 20 0 BEADMP C1=CCC(C[N@@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000662233294 412031581 /nfs/dbraw/zinc/03/15/81/412031581.db2.gz DATOOEIBEKLTLK-UHFFFAOYSA-N 2 1 220.360 2.169 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC000662237862 412035009 /nfs/dbraw/zinc/03/50/09/412035009.db2.gz KYTDOXPGTDZRDJ-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@H]1C[NH2+]C ZINC000662243919 412040129 /nfs/dbraw/zinc/04/01/29/412040129.db2.gz GQZGVIFTNRPOIE-MNOVXSKESA-N 2 1 234.334 2.352 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@H]1C[NH2+]C ZINC000662243919 412040131 /nfs/dbraw/zinc/04/01/31/412040131.db2.gz GQZGVIFTNRPOIE-MNOVXSKESA-N 2 1 234.334 2.352 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000662245507 412041945 /nfs/dbraw/zinc/04/19/45/412041945.db2.gz RTNWMUKWTVGKCO-HBNTYKKESA-N 2 1 234.334 2.337 20 0 BEADMP CC[C@@H](C[NH2+][C@@](C)(C[NH3+])C1CC1)CC(F)F ZINC000662247385 412044374 /nfs/dbraw/zinc/04/43/74/412044374.db2.gz GCZDTGSTWVJVHR-SKDRFNHKSA-N 2 1 234.334 2.385 20 0 BEADMP CO[C@@H](C[N@@H+](C)CC[C@H]([NH3+])C(C)C)C1CCC1 ZINC000662248032 412046429 /nfs/dbraw/zinc/04/64/29/412046429.db2.gz RFBVAEXMZFUHHX-KBPBESRZSA-N 2 1 242.407 2.107 20 0 BEADMP CC(C)=CCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000662264109 412056773 /nfs/dbraw/zinc/05/67/73/412056773.db2.gz AYQCGFLQHLDNGK-IHRRRGAJSA-N 2 1 222.376 2.402 20 0 BEADMP CC[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000108324287 171012599 /nfs/dbraw/zinc/01/25/99/171012599.db2.gz STPGQGKHNXUXEP-GFCCVEGCSA-N 2 1 210.365 2.108 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@H](C)[NH+](CC)CC ZINC000336739577 171059229 /nfs/dbraw/zinc/05/92/29/171059229.db2.gz SOUJZLGOIYEMLP-YNEHKIRRSA-N 2 1 212.381 2.495 20 0 BEADMP CO[C@@H](C[N@H+]1CCCC[C@@H]1CC[NH3+])C1CCC1 ZINC000662272586 412062723 /nfs/dbraw/zinc/06/27/23/412062723.db2.gz GVECBOWEVMPQIZ-KGLIPLIRSA-N 2 1 240.391 2.005 20 0 BEADMP C1=CCC(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000662275283 412067406 /nfs/dbraw/zinc/06/74/06/412067406.db2.gz YVTBUCACEUDQEM-HUUCEWRRSA-N 2 1 234.387 2.274 20 0 BEADMP [NH3+]C[C@H]([NH2+]CC1CC=CC1)C1CCCCC1 ZINC000662277789 412069634 /nfs/dbraw/zinc/06/96/34/412069634.db2.gz UJONAECFIBLWLB-AWEZNQCLSA-N 2 1 222.376 2.450 20 0 BEADMP [NH3+]C[C@@H]([NH2+]CC1CC=CC1)C1CCCCC1 ZINC000662277796 412070067 /nfs/dbraw/zinc/07/00/67/412070067.db2.gz UJONAECFIBLWLB-CQSZACIVSA-N 2 1 222.376 2.450 20 0 BEADMP C[C@@H]1C[C@@H](C)[N@@H+](CC2CC=CC2)C[C@H]1C[NH3+] ZINC000662281972 412072695 /nfs/dbraw/zinc/07/26/95/412072695.db2.gz AHOSPJDAPAEIIT-YRGRVCCFSA-N 2 1 222.376 2.258 20 0 BEADMP CC[C@H](C)C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000336650928 171274458 /nfs/dbraw/zinc/27/44/58/171274458.db2.gz UJUOMSXISXUJSO-RWMBFGLXSA-N 2 1 212.381 2.305 20 0 BEADMP CC[C@H](C)C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000336650928 171274460 /nfs/dbraw/zinc/27/44/60/171274460.db2.gz UJUOMSXISXUJSO-RWMBFGLXSA-N 2 1 212.381 2.305 20 0 BEADMP CC[C@H](C)C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000336650928 171274462 /nfs/dbraw/zinc/27/44/62/171274462.db2.gz UJUOMSXISXUJSO-RWMBFGLXSA-N 2 1 212.381 2.305 20 0 BEADMP CC[C@H](C)C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000336650928 171274464 /nfs/dbraw/zinc/27/44/64/171274464.db2.gz UJUOMSXISXUJSO-RWMBFGLXSA-N 2 1 212.381 2.305 20 0 BEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000662283639 412076172 /nfs/dbraw/zinc/07/61/72/412076172.db2.gz CENWYDDRBXYXAI-AICCOOGYSA-N 2 1 234.387 2.093 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000336686533 171281121 /nfs/dbraw/zinc/28/11/21/171281121.db2.gz WNVIOSPCKKQOTF-IHRRRGAJSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@H](C)C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000336686533 171281123 /nfs/dbraw/zinc/28/11/23/171281123.db2.gz WNVIOSPCKKQOTF-IHRRRGAJSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@H](C)C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000336686533 171281125 /nfs/dbraw/zinc/28/11/25/171281125.db2.gz WNVIOSPCKKQOTF-IHRRRGAJSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335620316 171281355 /nfs/dbraw/zinc/28/13/55/171281355.db2.gz XHUTXWDLBGKIBQ-STQMWFEESA-N 2 1 210.365 2.108 20 0 BEADMP C[N@@H+](CCCCC1CCOCC1)CC(C)(C)[NH3+] ZINC000662293675 412082596 /nfs/dbraw/zinc/08/25/96/412082596.db2.gz HYGYXAPYAYAHHD-UHFFFAOYSA-N 2 1 242.407 2.252 20 0 BEADMP C[N@@H+](CCCCC(F)(F)F)CC(C)(C)[NH3+] ZINC000662296106 412084287 /nfs/dbraw/zinc/08/42/87/412084287.db2.gz VYHWJXUFGKGLIY-UHFFFAOYSA-N 2 1 226.286 2.388 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000356874468 171307973 /nfs/dbraw/zinc/30/79/73/171307973.db2.gz QHGNSYVKSLVJDV-BFHYXJOUSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000356874468 171307975 /nfs/dbraw/zinc/30/79/75/171307975.db2.gz QHGNSYVKSLVJDV-BFHYXJOUSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC1(C)C ZINC000308873332 171308234 /nfs/dbraw/zinc/30/82/34/171308234.db2.gz ZURZPKZXFJLBGB-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC1(C)C ZINC000308873332 171308236 /nfs/dbraw/zinc/30/82/36/171308236.db2.gz ZURZPKZXFJLBGB-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000126429554 171342622 /nfs/dbraw/zinc/34/26/22/171342622.db2.gz ZAZTVIGDKVRMDN-NSHDSACASA-N 2 1 244.342 2.464 20 0 BEADMP CC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000038098012 171364640 /nfs/dbraw/zinc/36/46/40/171364640.db2.gz JCJGIRBUXZFRFE-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000049330391 171388569 /nfs/dbraw/zinc/38/85/69/171388569.db2.gz JVCPHWLHXUXRDG-QWRGUYRKSA-N 2 1 209.337 2.216 20 0 BEADMP Cc1cccc([C@@H](C)[N@@H+]2CC3CC2(C[NH3+])C3)c1 ZINC000662304630 412089862 /nfs/dbraw/zinc/08/98/62/412089862.db2.gz SDYBTVHQYNLWDI-DNOWBOINSA-N 2 1 230.355 2.479 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000662305361 412091538 /nfs/dbraw/zinc/09/15/38/412091538.db2.gz GFAUVCRMZADUSQ-AAEUAGOBSA-N 2 1 210.365 2.236 20 0 BEADMP CC1(C)CC[N@@H+](CCOCC[NH3+])CC(C)(C)C1 ZINC000662306663 412091631 /nfs/dbraw/zinc/09/16/31/412091631.db2.gz RSJKNPQKCZUBDA-UHFFFAOYSA-N 2 1 242.407 2.110 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662305247 412091824 /nfs/dbraw/zinc/09/18/24/412091824.db2.gz FVQRFSDAWIDFIB-UHFFFAOYSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1CCC[N@@H+](Cc2ccncc2)[C@@H]1CCC[NH3+] ZINC000662316794 412097386 /nfs/dbraw/zinc/09/73/86/412097386.db2.gz OBAUXXLZTFVNEX-UKRRQHHQSA-N 2 1 247.386 2.421 20 0 BEADMP CC(C)CC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319933 412098595 /nfs/dbraw/zinc/09/85/95/412098595.db2.gz QWXRRTRVUVYXFJ-AWEZNQCLSA-N 2 1 242.407 2.075 20 0 BEADMP [NH3+]CCC[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000662319953 412100752 /nfs/dbraw/zinc/10/07/52/412100752.db2.gz RFLPLXHPWOOUDO-CYBMUJFWSA-N 2 1 210.365 2.380 20 0 BEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC2CC1(C)C2 ZINC000662382579 412134647 /nfs/dbraw/zinc/13/46/47/412134647.db2.gz ZPNNREKYJRSUFW-ROKHWSDSSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC2CC1(C)C2 ZINC000662382579 412134650 /nfs/dbraw/zinc/13/46/50/412134650.db2.gz ZPNNREKYJRSUFW-ROKHWSDSSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC2CC1(C)C2 ZINC000662382579 412134654 /nfs/dbraw/zinc/13/46/54/412134654.db2.gz ZPNNREKYJRSUFW-ROKHWSDSSA-N 2 1 222.376 2.345 20 0 BEADMP Cc1ccncc1CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000665239771 412180397 /nfs/dbraw/zinc/18/03/97/412180397.db2.gz YYFJFYOZMIICTA-DZGCQCFKSA-N 2 1 247.386 2.053 20 0 BEADMP c1cncc([C@H]2CCC[C@H]([NH2+][C@H]3CC[NH2+]C3)C2)c1 ZINC000665241292 412184211 /nfs/dbraw/zinc/18/42/11/412184211.db2.gz HJGMFRGDQRSOLZ-QEJZJMRPSA-N 2 1 245.370 2.059 20 0 BEADMP Cc1ncc([C@H](C)[NH2+]CC2([NH3+])CCCC2)s1 ZINC000665248183 412193516 /nfs/dbraw/zinc/19/35/16/412193516.db2.gz RAJBJZBSEVMHKE-VIFPVBQESA-N 2 1 239.388 2.374 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)[C@H]1CCCC[NH2+]1 ZINC000665264674 412207652 /nfs/dbraw/zinc/20/76/52/412207652.db2.gz FUDDMIOWWIUZMM-ZOBORPQBSA-N 2 1 240.391 2.064 20 0 BEADMP C[C@H]([NH2+]C[C@]1(C)CC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000665264629 412207879 /nfs/dbraw/zinc/20/78/79/412207879.db2.gz FCYFZUNQTSKRIC-AXFHLTTASA-N 2 1 232.318 2.152 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CCC[C@H](C)O1)[C@@H]1CCC[NH2+]1 ZINC000665265156 412208899 /nfs/dbraw/zinc/20/88/99/412208899.db2.gz QMOFDRFKQHZLGT-XUXIUFHCSA-N 2 1 240.391 2.064 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)[C@H]1CCCC[NH2+]1 ZINC000665274069 412215607 /nfs/dbraw/zinc/21/56/07/412215607.db2.gz JGGNYLPYFMQJDO-GMTAPVOTSA-N 2 1 246.345 2.398 20 0 BEADMP C[C@@H]([NH2+]C[C@H](C)c1ccccn1)[C@H]1CCCC[NH2+]1 ZINC000665232051 412169743 /nfs/dbraw/zinc/16/97/43/412169743.db2.gz FCPINYRHYBEMNR-GZBFAFLISA-N 2 1 247.386 2.305 20 0 BEADMP C[C@H]([NH2+]CC1=CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000665274253 412217787 /nfs/dbraw/zinc/21/77/87/412217787.db2.gz MJHIXKUQJQCOOY-AAEUAGOBSA-N 2 1 208.349 2.217 20 0 BEADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc(F)cn1 ZINC000665280618 412224717 /nfs/dbraw/zinc/22/47/17/412224717.db2.gz HSOKWOKOVXZCNG-ZYHUDNBSSA-N 2 1 239.338 2.245 20 0 BEADMP CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)C[NH2+]C ZINC000665298327 412246268 /nfs/dbraw/zinc/24/62/68/412246268.db2.gz UWDGMWCUQCGJMZ-TUAOUCFPSA-N 2 1 200.370 2.399 20 0 BEADMP CCc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)s1 ZINC000036300947 171793405 /nfs/dbraw/zinc/79/34/05/171793405.db2.gz JGYHJUDPFKFYPK-UHFFFAOYSA-N 2 1 238.400 2.494 20 0 BEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)C1CC1 ZINC000337361316 172535017 /nfs/dbraw/zinc/53/50/17/172535017.db2.gz IUWNIEIHUZVYTA-TUVASFSCSA-N 2 1 236.403 2.495 20 0 BEADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cccnc2)CC1 ZINC000336528528 173002988 /nfs/dbraw/zinc/00/29/88/173002988.db2.gz HLDCTWHRXKGQFP-UHFFFAOYSA-N 2 1 245.370 2.142 20 0 BEADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@H]1CCOC1(C)C ZINC000328278710 173007962 /nfs/dbraw/zinc/00/79/62/173007962.db2.gz YSBNICBXVQCCNC-STQMWFEESA-N 2 1 240.391 2.018 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000355173912 173027248 /nfs/dbraw/zinc/02/72/48/173027248.db2.gz PUTUZLDFYPJWLU-MGPQQGTHSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000355173912 173027251 /nfs/dbraw/zinc/02/72/51/173027251.db2.gz PUTUZLDFYPJWLU-MGPQQGTHSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000355173913 173027988 /nfs/dbraw/zinc/02/79/88/173027988.db2.gz PUTUZLDFYPJWLU-MJBXVCDLSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000355173913 173027989 /nfs/dbraw/zinc/02/79/89/173027989.db2.gz PUTUZLDFYPJWLU-MJBXVCDLSA-N 2 1 222.376 2.345 20 0 BEADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccco3)CC[C@@H]21 ZINC000092043243 173036239 /nfs/dbraw/zinc/03/62/39/173036239.db2.gz DBDLLVZVCYAHMO-OCCSQVGLSA-N 2 1 234.343 2.196 20 0 BEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccco3)CC[C@@H]21 ZINC000092043243 173036241 /nfs/dbraw/zinc/03/62/41/173036241.db2.gz DBDLLVZVCYAHMO-OCCSQVGLSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccco3)CC[C@@H]21 ZINC000092043243 173036244 /nfs/dbraw/zinc/03/62/44/173036244.db2.gz DBDLLVZVCYAHMO-OCCSQVGLSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccco3)CC[C@@H]21 ZINC000092043243 173036247 /nfs/dbraw/zinc/03/62/47/173036247.db2.gz DBDLLVZVCYAHMO-OCCSQVGLSA-N 2 1 234.343 2.196 20 0 BEADMP C[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC000334267530 173038711 /nfs/dbraw/zinc/03/87/11/173038711.db2.gz ZULMVAAIYGOVKX-CQSZACIVSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC000334267530 173038713 /nfs/dbraw/zinc/03/87/13/173038713.db2.gz ZULMVAAIYGOVKX-CQSZACIVSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC000334267530 173038717 /nfs/dbraw/zinc/03/87/17/173038717.db2.gz ZULMVAAIYGOVKX-CQSZACIVSA-N 2 1 222.376 2.347 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC000044535439 173041190 /nfs/dbraw/zinc/04/11/90/173041190.db2.gz LTGKJPKMHFOWFL-CYBMUJFWSA-N 2 1 236.334 2.257 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cccs2)CC1 ZINC000076673899 173045850 /nfs/dbraw/zinc/04/58/50/173045850.db2.gz AQGMTOYRBVOPJC-NSHDSACASA-N 2 1 224.373 2.322 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(F)cc2)CC1 ZINC000076683307 173046593 /nfs/dbraw/zinc/04/65/93/173046593.db2.gz XLMVCIAZDBQJSX-AWEZNQCLSA-N 2 1 236.334 2.400 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCC2CC2)[C@H]2CCC[C@@H]21 ZINC000309436396 173151608 /nfs/dbraw/zinc/15/16/08/173151608.db2.gz HHYVFKQGGPIPQI-RDBSUJKOSA-N 2 1 222.376 2.249 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccco2)[C@@H]2CCC[C@H]21 ZINC000353432133 173153154 /nfs/dbraw/zinc/15/31/54/173153154.db2.gz AQNCMAZFNAOPQE-SOUVJXGZSA-N 2 1 248.370 2.285 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2F)[C@@H]2CCC[C@@H]21 ZINC000340525613 173153970 /nfs/dbraw/zinc/15/39/70/173153970.db2.gz WVMNOXKPDVJCNZ-YHQUGGNUSA-N 2 1 240.366 2.339 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC2(C)C)[C@@H]2CCC[C@H]21 ZINC000336726548 173154060 /nfs/dbraw/zinc/15/40/60/173154060.db2.gz CCSCJFYWAXFXHA-WUHRBBMRSA-N 2 1 222.376 2.247 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1c(C)cccc1C ZINC000126242508 173346007 /nfs/dbraw/zinc/34/60/07/173346007.db2.gz IMSXGKRJJZYPRG-UHFFFAOYSA-N 2 1 220.360 2.345 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000309629237 173346832 /nfs/dbraw/zinc/34/68/32/173346832.db2.gz JZISHDHFCXARGZ-GFCCVEGCSA-N 2 1 224.373 2.495 20 0 BEADMP C[NH2+]CCC[N@@H+]1CCc2sccc2[C@@H]1C ZINC000042779744 173347334 /nfs/dbraw/zinc/34/73/34/173347334.db2.gz CLSSTAJCLBVYDL-JTQLQIEISA-N 2 1 224.373 2.277 20 0 BEADMP C[NH2+]CCC[N@H+]1CCc2sccc2[C@@H]1C ZINC000042779744 173347336 /nfs/dbraw/zinc/34/73/36/173347336.db2.gz CLSSTAJCLBVYDL-JTQLQIEISA-N 2 1 224.373 2.277 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000042409660 173347551 /nfs/dbraw/zinc/34/75/51/173347551.db2.gz GJJAFUVRHQJJBH-STQMWFEESA-N 2 1 210.365 2.251 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000238342712 173356814 /nfs/dbraw/zinc/35/68/14/173356814.db2.gz ILINFHFXQJYIOQ-JHJVBQTASA-N 2 1 212.381 2.256 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC000251261701 173367445 /nfs/dbraw/zinc/36/74/45/173367445.db2.gz LHXUCJDWVYSDEG-OLZOCXBDSA-N 2 1 233.359 2.074 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)c2ccccn2)C1 ZINC000251261701 173367447 /nfs/dbraw/zinc/36/74/47/173367447.db2.gz LHXUCJDWVYSDEG-OLZOCXBDSA-N 2 1 233.359 2.074 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+](C/C=C/c2ccccc2)C1 ZINC000071147421 173370023 /nfs/dbraw/zinc/37/00/23/173370023.db2.gz PNVHGPMKHOVKRV-PXTSUWAFSA-N 2 1 230.355 2.241 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000071147421 173370025 /nfs/dbraw/zinc/37/00/25/173370025.db2.gz PNVHGPMKHOVKRV-PXTSUWAFSA-N 2 1 230.355 2.241 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC000251494356 173370842 /nfs/dbraw/zinc/37/08/42/173370842.db2.gz DIMMXLIUXHJEDD-NEPJUHHUSA-N 2 1 236.334 2.428 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC000251494356 173370844 /nfs/dbraw/zinc/37/08/44/173370844.db2.gz DIMMXLIUXHJEDD-NEPJUHHUSA-N 2 1 236.334 2.428 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000071142022 173371166 /nfs/dbraw/zinc/37/11/66/173371166.db2.gz SYLPMUSGNSFYLM-LBPRGKRZSA-N 2 1 244.338 2.474 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000071142022 173371168 /nfs/dbraw/zinc/37/11/68/173371168.db2.gz SYLPMUSGNSFYLM-LBPRGKRZSA-N 2 1 244.338 2.474 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1c(C)cccc1C ZINC000130897555 173380258 /nfs/dbraw/zinc/38/02/58/173380258.db2.gz WVDFYDXRHKNNIW-CQSZACIVSA-N 2 1 232.371 2.487 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+]1Cc1c(C)cccc1C ZINC000130897555 173380259 /nfs/dbraw/zinc/38/02/59/173380259.db2.gz WVDFYDXRHKNNIW-CQSZACIVSA-N 2 1 232.371 2.487 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000053032034 173381526 /nfs/dbraw/zinc/38/15/26/173381526.db2.gz ASPAPIKUNPVDNO-NWDGAFQWSA-N 2 1 236.334 2.428 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000053032034 173381527 /nfs/dbraw/zinc/38/15/27/173381527.db2.gz ASPAPIKUNPVDNO-NWDGAFQWSA-N 2 1 236.334 2.428 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(C)ccc2OC)C1 ZINC000071146818 173382237 /nfs/dbraw/zinc/38/22/37/173382237.db2.gz SNBQOZSZHQZHOV-CYBMUJFWSA-N 2 1 248.370 2.045 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(C)ccc2OC)C1 ZINC000071146818 173382239 /nfs/dbraw/zinc/38/22/39/173382239.db2.gz SNBQOZSZHQZHOV-CYBMUJFWSA-N 2 1 248.370 2.045 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC000071142629 173382249 /nfs/dbraw/zinc/38/22/49/173382249.db2.gz XEUIYDIGGZWCKR-CQSZACIVSA-N 2 1 232.371 2.345 20 0 BEADMP COc1ccc(Cl)cc1C[N@H+](C)CCC[NH3+] ZINC000036867430 175120648 /nfs/dbraw/zinc/12/06/48/175120648.db2.gz AROFKFUAPXEOAS-UHFFFAOYSA-N 2 1 242.750 2.129 20 0 BEADMP COc1ccc(Cl)cc1C[N@@H+](C)CCC[NH3+] ZINC000036867430 175120650 /nfs/dbraw/zinc/12/06/50/175120650.db2.gz AROFKFUAPXEOAS-UHFFFAOYSA-N 2 1 242.750 2.129 20 0 BEADMP COc1cccc(CCC[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC000019933303 175251608 /nfs/dbraw/zinc/25/16/08/175251608.db2.gz SSQIRDGUBVZTBC-AWEZNQCLSA-N 2 1 248.370 2.051 20 0 BEADMP COc1cccc(CCC[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC000019933303 175251609 /nfs/dbraw/zinc/25/16/09/175251609.db2.gz SSQIRDGUBVZTBC-AWEZNQCLSA-N 2 1 248.370 2.051 20 0 BEADMP COc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c1 ZINC000042442300 175255522 /nfs/dbraw/zinc/25/55/22/175255522.db2.gz MCPOTEUIACVSOT-CQSZACIVSA-N 2 1 248.370 2.127 20 0 BEADMP COc1cccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000049713134 175259532 /nfs/dbraw/zinc/25/95/32/175259532.db2.gz PPNDBIXHMNCWLQ-AAEUAGOBSA-N 2 1 234.343 2.007 20 0 BEADMP COc1cccc(C[NH2+][C@@H](C)CC[NH+](C)C)c1 ZINC000049551733 175266214 /nfs/dbraw/zinc/26/62/14/175266214.db2.gz OKIAQASRMWMVDS-LBPRGKRZSA-N 2 1 236.359 2.125 20 0 BEADMP CC(C)C1(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000232672246 487630514 /nfs/dbraw/zinc/63/05/14/487630514.db2.gz AOMFPNGVCOEYIL-ZDUSSCGKSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H](c1cccnc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163375672 176029892 /nfs/dbraw/zinc/02/98/92/176029892.db2.gz ALZILMHMUQIRFN-DYEKYZERSA-N 2 1 233.359 2.059 20 0 BEADMP C[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000124656498 176071551 /nfs/dbraw/zinc/07/15/51/176071551.db2.gz CAJNOULRPRSQJJ-OLZOCXBDSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000124656498 176071553 /nfs/dbraw/zinc/07/15/53/176071553.db2.gz CAJNOULRPRSQJJ-OLZOCXBDSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000124656498 176071555 /nfs/dbraw/zinc/07/15/55/176071555.db2.gz CAJNOULRPRSQJJ-OLZOCXBDSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000353633371 176081501 /nfs/dbraw/zinc/08/15/01/176081501.db2.gz WZYYIPKSFMWHSD-WOPDTQHZSA-N 2 1 233.359 2.435 20 0 BEADMP C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000353633368 176089379 /nfs/dbraw/zinc/08/93/79/176089379.db2.gz WZYYIPKSFMWHSD-GRYCIOLGSA-N 2 1 233.359 2.435 20 0 BEADMP C[C@@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C[NH3+] ZINC000251619436 176101855 /nfs/dbraw/zinc/10/18/55/176101855.db2.gz CLPKYWAHLPJTMT-OCCSQVGLSA-N 2 1 218.344 2.246 20 0 BEADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C[NH3+] ZINC000251619436 176101856 /nfs/dbraw/zinc/10/18/56/176101856.db2.gz CLPKYWAHLPJTMT-OCCSQVGLSA-N 2 1 218.344 2.246 20 0 BEADMP C[C@H](C[NH2+]C[C@H]1C[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000336751420 176103237 /nfs/dbraw/zinc/10/32/37/176103237.db2.gz VHRUUMWKYLJSOO-AAVRWANBSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@H](C[NH2+]C[C@H]1C[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000336751420 176103238 /nfs/dbraw/zinc/10/32/38/176103238.db2.gz VHRUUMWKYLJSOO-AAVRWANBSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1CCC[N@@H+]1C[C@H]([NH3+])Cc1ccccc1 ZINC000037911186 176107983 /nfs/dbraw/zinc/10/79/83/176107983.db2.gz VIAYLUFNZZYLGZ-TZMCWYRMSA-N 2 1 218.344 2.041 20 0 BEADMP C[C@@H]1CCC[N@H+]1C[C@H]([NH3+])Cc1ccccc1 ZINC000037911186 176107984 /nfs/dbraw/zinc/10/79/84/176107984.db2.gz VIAYLUFNZZYLGZ-TZMCWYRMSA-N 2 1 218.344 2.041 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000309153729 176131196 /nfs/dbraw/zinc/13/11/96/176131196.db2.gz WZBDZGKDNVMHTC-AGIUHOORSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000309769223 176143153 /nfs/dbraw/zinc/14/31/53/176143153.db2.gz KCHPGNKXHCYYBZ-OCCSQVGLSA-N 2 1 222.376 2.417 20 0 BEADMP C[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000337693637 176166837 /nfs/dbraw/zinc/16/68/37/176166837.db2.gz QRABICHAEBIDEA-LSMGEYOZSA-N 2 1 222.376 2.226 20 0 BEADMP C[C@H](c1cccnc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229056096 176180967 /nfs/dbraw/zinc/18/09/67/176180967.db2.gz ALZILMHMUQIRFN-BZPMIXESSA-N 2 1 233.359 2.059 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000309749751 176216815 /nfs/dbraw/zinc/21/68/15/176216815.db2.gz GJXIWEMLJXENQK-PWSUYJOCSA-N 2 1 219.332 2.036 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CC[NH3+])c2ccccc21 ZINC000136960739 176232670 /nfs/dbraw/zinc/23/26/70/176232670.db2.gz YHRCBAHRSHTRLI-MFKMUULPSA-N 2 1 204.317 2.173 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000070643241 176232905 /nfs/dbraw/zinc/23/29/05/176232905.db2.gz MVNDERRYBDQOEP-YPMHNXCESA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000336595679 176268751 /nfs/dbraw/zinc/26/87/51/176268751.db2.gz BLXUPCZIAPGCEI-PWSUYJOCSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000336595679 176268753 /nfs/dbraw/zinc/26/87/53/176268753.db2.gz BLXUPCZIAPGCEI-PWSUYJOCSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000105480679 176269976 /nfs/dbraw/zinc/26/99/76/176269976.db2.gz WQPXUVKWDCBGPF-RISCZKNCSA-N 2 1 236.334 2.256 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000358301922 176270779 /nfs/dbraw/zinc/27/07/79/176270779.db2.gz PSPPWDWXLNGYAN-GRYCIOLGSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000358301922 176270782 /nfs/dbraw/zinc/27/07/82/176270782.db2.gz PSPPWDWXLNGYAN-GRYCIOLGSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CSC1(C)C ZINC000309823377 176278057 /nfs/dbraw/zinc/27/80/57/176278057.db2.gz WVTQGNGZADXBRE-WISYIIOYSA-N 2 1 242.432 2.199 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC[C@H](F)C1 ZINC000309798611 176278138 /nfs/dbraw/zinc/27/81/38/176278138.db2.gz QSIZYOUBZNPJIM-BNDIWNMDSA-N 2 1 228.355 2.195 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)C ZINC000040492886 176278359 /nfs/dbraw/zinc/27/83/59/176278359.db2.gz ZERYNCXKMOEEKK-IJLUTSLNSA-N 2 1 212.381 2.351 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000359003338 176279178 /nfs/dbraw/zinc/27/91/78/176279178.db2.gz QTAMMOKJHFZPCH-GMTAPVOTSA-N 2 1 246.345 2.350 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC(C)(F)F ZINC000357719312 176279246 /nfs/dbraw/zinc/27/92/46/176279246.db2.gz ZAPRIVTYXVMETN-MXWKQRLJSA-N 2 1 234.334 2.350 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000300230002 176280628 /nfs/dbraw/zinc/28/06/28/176280628.db2.gz NPCBEIXOGQZEPK-FDYHWXHSSA-N 2 1 242.432 2.058 20 0 BEADMP C[C@@H]1C[N@H+](C2Cc3ccccc3C2)C[C@@]1(C)C[NH3+] ZINC000311073532 176283269 /nfs/dbraw/zinc/28/32/69/176283269.db2.gz ZPGJLRXHCBTOAT-MLGOLLRUSA-N 2 1 244.382 2.071 20 0 BEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)C(C)(C)C1 ZINC000335631443 176294270 /nfs/dbraw/zinc/29/42/70/176294270.db2.gz PBPAGEFQEGDBPY-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[N@H+]([C@@H]2CCCc3ccccc32)C[C@@H]1[NH3+] ZINC000235363645 176315309 /nfs/dbraw/zinc/31/53/09/176315309.db2.gz DEILVRRDRKFJOK-BYCMXARLSA-N 2 1 230.355 2.343 20 0 BEADMP C[C@@H]1CSC[C@@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000304426322 176352434 /nfs/dbraw/zinc/35/24/34/176352434.db2.gz KJCTVENHWCLTIW-NEPJUHHUSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1CSC[C@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000304426328 176355001 /nfs/dbraw/zinc/35/50/01/176355001.db2.gz KJCTVENHWCLTIW-VXGBXAGGSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1C[C@@H](C[N@@H+](C)C2CCCC2)CC[NH2+]1 ZINC000235378712 176367407 /nfs/dbraw/zinc/36/74/07/176367407.db2.gz YVVAQYMKIRUPRE-NEPJUHHUSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCC2(F)CCC2)CC[N@H+]1C ZINC000309808494 176375366 /nfs/dbraw/zinc/37/53/66/176375366.db2.gz SUFSYYKKHQJNID-NEPJUHHUSA-N 2 1 228.355 2.341 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC2(C(F)F)CC2)CC[N@H+]1C ZINC000309810345 176375407 /nfs/dbraw/zinc/37/54/07/176375407.db2.gz UAQJNIJKWHYLAO-ZJUUUORDSA-N 2 1 232.318 2.104 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CCCC3)CC[N@@H+]1C ZINC000309358191 176378611 /nfs/dbraw/zinc/37/86/11/176378611.db2.gz ABFUAJGRVYTCLB-FRRDWIJNSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CCCC3)CC[N@H+]1C ZINC000309358191 176378613 /nfs/dbraw/zinc/37/86/13/176378613.db2.gz ABFUAJGRVYTCLB-FRRDWIJNSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000049530943 177036075 /nfs/dbraw/zinc/03/60/75/177036075.db2.gz XMRDWBJBEDGNIL-GHMZBOCLSA-N 2 1 222.307 2.167 20 0 BEADMP C[C@H](c1cccc(O)c1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000094011026 177036871 /nfs/dbraw/zinc/03/68/71/177036871.db2.gz RNXBLPIFVPIFCW-GFCCVEGCSA-N 2 1 248.370 2.385 20 0 BEADMP C[C@H](c1ccccn1)[N@H+](C)C[C@@H]1CCCN(C)C1 ZINC000177184913 177042413 /nfs/dbraw/zinc/04/24/13/177042413.db2.gz ARZZKJPCPVJVLW-ZIAGYGMSSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@H](c1ccccn1)[N@@H+](C)C[C@@H]1CCCN(C)C1 ZINC000177184913 177042414 /nfs/dbraw/zinc/04/24/14/177042414.db2.gz ARZZKJPCPVJVLW-ZIAGYGMSSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@H](c1ccccn1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000177184913 177042415 /nfs/dbraw/zinc/04/24/15/177042415.db2.gz ARZZKJPCPVJVLW-ZIAGYGMSSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@H](c1ccccn1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000177184913 177042416 /nfs/dbraw/zinc/04/24/16/177042416.db2.gz ARZZKJPCPVJVLW-ZIAGYGMSSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@H](c1ccccn1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000177184913 177042417 /nfs/dbraw/zinc/04/24/17/177042417.db2.gz ARZZKJPCPVJVLW-ZIAGYGMSSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@H](c1ccccn1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000177184913 177042418 /nfs/dbraw/zinc/04/24/18/177042418.db2.gz ARZZKJPCPVJVLW-ZIAGYGMSSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@H](c1cccnc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292100764 177046692 /nfs/dbraw/zinc/04/66/92/177046692.db2.gz HWHQCNQDJRWPIZ-HIFRSBDPSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@H](c1cccnc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292100764 177046693 /nfs/dbraw/zinc/04/66/93/177046693.db2.gz HWHQCNQDJRWPIZ-HIFRSBDPSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@H](c1cccnc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292100764 177046694 /nfs/dbraw/zinc/04/66/94/177046694.db2.gz HWHQCNQDJRWPIZ-HIFRSBDPSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@H](c1cccnc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292100764 177046695 /nfs/dbraw/zinc/04/66/95/177046695.db2.gz HWHQCNQDJRWPIZ-HIFRSBDPSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@H](C[NH2+]C[C@H]1C[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000309744836 177078359 /nfs/dbraw/zinc/07/83/59/177078359.db2.gz IUCHEYXUIADLKP-XJFOESAGSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H](C[NH2+]C[C@H]1C[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000309744836 177078361 /nfs/dbraw/zinc/07/83/61/177078361.db2.gz IUCHEYXUIADLKP-XJFOESAGSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@@H]2C)CC[C@@H]1[NH3+] ZINC000042864366 177085095 /nfs/dbraw/zinc/08/50/95/177085095.db2.gz FSQXNGIFBWULKA-CRWXNKLISA-N 2 1 224.392 2.482 20 0 BEADMP C[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000037248678 177122880 /nfs/dbraw/zinc/12/28/80/177122880.db2.gz KAXPNNBZCDLPKH-WCQYABFASA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1CCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335604326 177126075 /nfs/dbraw/zinc/12/60/75/177126075.db2.gz WYQKMICPHZGGRJ-AAEUAGOBSA-N 2 1 208.349 2.027 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]CC[NH3+])c2ccccc21 ZINC000136960784 177204943 /nfs/dbraw/zinc/20/49/43/177204943.db2.gz YHRCBAHRSHTRLI-GWCFXTLKSA-N 2 1 204.317 2.173 20 0 BEADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000336673292 177233636 /nfs/dbraw/zinc/23/36/36/177233636.db2.gz AKEPWHNPDBBDFQ-ZOBORPQBSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccccc1 ZINC000275296912 177234704 /nfs/dbraw/zinc/23/47/04/177234704.db2.gz PMTQEFRTNMTHJU-DZGCQCFKSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccccc1 ZINC000275296912 177234705 /nfs/dbraw/zinc/23/47/05/177234705.db2.gz PMTQEFRTNMTHJU-DZGCQCFKSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccccc1 ZINC000275296912 177234706 /nfs/dbraw/zinc/23/47/06/177234706.db2.gz PMTQEFRTNMTHJU-DZGCQCFKSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccccc1 ZINC000275296912 177234707 /nfs/dbraw/zinc/23/47/07/177234707.db2.gz PMTQEFRTNMTHJU-DZGCQCFKSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)C1 ZINC000227055034 177259474 /nfs/dbraw/zinc/25/94/74/177259474.db2.gz ILBOPLDSZVRMND-ZOBORPQBSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@H]1C[C@@H](C[N@@H+](C)C2CCCC2)CC[NH2+]1 ZINC000235697136 177323348 /nfs/dbraw/zinc/32/33/48/177323348.db2.gz YVVAQYMKIRUPRE-RYUDHWBXSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1C[C@@H](C[N@H+]2CCC[C@@H](C)CC2)CC[NH2+]1 ZINC000235312878 177324969 /nfs/dbraw/zinc/32/49/69/177324969.db2.gz IASXGRNIGYYJPC-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1C[C@@H]([NH+](C)CC2CCC2)CC[N@@H+]1C ZINC000336084585 177326402 /nfs/dbraw/zinc/32/64/02/177326402.db2.gz CZSXWWFELHDLRB-AAEUAGOBSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]1C[C@@H]([NH+](C)CC2CCC2)CC[N@H+]1C ZINC000336084585 177326404 /nfs/dbraw/zinc/32/64/04/177326404.db2.gz CZSXWWFELHDLRB-AAEUAGOBSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]1C[C@@H]([N@H+](C)CC2CCC2)CC[NH+]1C ZINC000336084585 177326406 /nfs/dbraw/zinc/32/64/06/177326406.db2.gz CZSXWWFELHDLRB-AAEUAGOBSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]1C[C@@H]([N@@H+](C)CC2CCC2)CC[NH+]1C ZINC000336084585 177326408 /nfs/dbraw/zinc/32/64/08/177326408.db2.gz CZSXWWFELHDLRB-AAEUAGOBSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(F)c1 ZINC000049710183 177326808 /nfs/dbraw/zinc/32/68/08/177326808.db2.gz SKEHZVGUWKIZBC-GWCFXTLKSA-N 2 1 222.307 2.137 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(F)c1 ZINC000049710183 177326810 /nfs/dbraw/zinc/32/68/10/177326810.db2.gz SKEHZVGUWKIZBC-GWCFXTLKSA-N 2 1 222.307 2.137 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)C ZINC000040492887 177331203 /nfs/dbraw/zinc/33/12/03/177331203.db2.gz ZERYNCXKMOEEKK-GRYCIOLGSA-N 2 1 212.381 2.351 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C2Cc3ccccc3C2)CC[N@@H+]1C ZINC000156573963 177331439 /nfs/dbraw/zinc/33/14/39/177331439.db2.gz LLDZMPNOZBVHNX-WFASDCNBSA-N 2 1 244.382 2.226 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C2Cc3ccccc3C2)CC[N@H+]1C ZINC000156573963 177331441 /nfs/dbraw/zinc/33/14/41/177331441.db2.gz LLDZMPNOZBVHNX-WFASDCNBSA-N 2 1 244.382 2.226 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccco1 ZINC000036908630 177332488 /nfs/dbraw/zinc/33/24/88/177332488.db2.gz WUWZQZXYEXMLPH-MBNYWOFBSA-N 2 1 236.359 2.140 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CCc2cccs2)CC[N@H+]1C ZINC000129659267 177332550 /nfs/dbraw/zinc/33/25/50/177332550.db2.gz YHDATGJFMAUXTB-RYUDHWBXSA-N 2 1 238.400 2.363 20 0 BEADMP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000361922416 177333756 /nfs/dbraw/zinc/33/37/56/177333756.db2.gz AAVUGKFBMYSNTL-DYEKYZERSA-N 2 1 236.359 2.283 20 0 BEADMP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000361922416 177333757 /nfs/dbraw/zinc/33/37/57/177333757.db2.gz AAVUGKFBMYSNTL-DYEKYZERSA-N 2 1 236.359 2.283 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000235311328 177362409 /nfs/dbraw/zinc/36/24/09/177362409.db2.gz GDUQVBUYTYSRJG-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1C[C@H](C[N@H+]2CCCC(C)(C)C2)CC[NH2+]1 ZINC000235661535 177362510 /nfs/dbraw/zinc/36/25/10/177362510.db2.gz VJSXXZBHWXUWCE-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccs1 ZINC000049712690 177364603 /nfs/dbraw/zinc/36/46/03/177364603.db2.gz RPMZHVZUTQBWJA-VHSXEESVSA-N 2 1 210.346 2.060 20 0 BEADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(F)c1 ZINC000049710180 177364629 /nfs/dbraw/zinc/36/46/29/177364629.db2.gz SKEHZVGUWKIZBC-GXFFZTMASA-N 2 1 222.307 2.137 20 0 BEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(F)c1 ZINC000049710180 177364630 /nfs/dbraw/zinc/36/46/30/177364630.db2.gz SKEHZVGUWKIZBC-GXFFZTMASA-N 2 1 222.307 2.137 20 0 BEADMP C[C@H]1C[C@H](N(C)Cc2ccco2)CC[N@H+]1C ZINC000093643686 177364750 /nfs/dbraw/zinc/36/47/50/177364750.db2.gz RAEVLCSDKRRREY-NWDGAFQWSA-N 2 1 222.332 2.194 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000336781420 177369743 /nfs/dbraw/zinc/36/97/43/177369743.db2.gz UPZKXKVCIPUXBL-YWVKMMECSA-N 2 1 232.318 2.102 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CCc2ccccc2O)CC[N@H+]1C ZINC000154920069 177370138 /nfs/dbraw/zinc/37/01/38/177370138.db2.gz IHAAYCHBXCUWIN-GXTWGEPZSA-N 2 1 248.370 2.007 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccco1 ZINC000036908628 177370501 /nfs/dbraw/zinc/37/05/01/177370501.db2.gz WUWZQZXYEXMLPH-DYEKYZERSA-N 2 1 236.359 2.140 20 0 BEADMP C[C@H]1C[C@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000309506953 177381169 /nfs/dbraw/zinc/38/11/69/177381169.db2.gz WCUPNCZEXPWPDP-WSOGJNRSSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H]1C[C@H]1C[NH2+]CC[N@H+](C)C1CCCC1 ZINC000336763591 177382194 /nfs/dbraw/zinc/38/21/94/177382194.db2.gz PIXQRWCWNSTMRL-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1C[C@H]1C[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000336763591 177382195 /nfs/dbraw/zinc/38/21/95/177382195.db2.gz PIXQRWCWNSTMRL-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCC12CCC2 ZINC000401662299 322932591 /nfs/dbraw/zinc/93/25/91/322932591.db2.gz YKAMPNOQRRYJDL-ZDUSSCGKSA-N 2 1 233.359 2.275 20 0 BEADMP CC(C)OC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000669680746 487644096 /nfs/dbraw/zinc/64/40/96/487644096.db2.gz HYWARZBBPNYRDY-KBPBESRZSA-N 2 1 242.407 2.120 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](C3CC3)C2)CC[NH2+]1 ZINC000400041235 225346284 /nfs/dbraw/zinc/34/62/84/225346284.db2.gz PANXYSCYJMOLHQ-MBNYWOFBSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000307576058 229216392 /nfs/dbraw/zinc/21/63/92/229216392.db2.gz LWVSSRANZONVSB-NFAWXSAZSA-N 2 1 232.371 2.492 20 0 BEADMP CC[C@H](C)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000394413132 487679235 /nfs/dbraw/zinc/67/92/35/487679235.db2.gz RNQDJJQAYLLJBD-AVGNSLFASA-N 2 1 212.381 2.495 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]C/C=C/Cl)CC1(C)C ZINC000898430117 584134681 /nfs/dbraw/zinc/13/46/81/584134681.db2.gz UXAMDJMOODIHSP-DFVUYQKZSA-N 2 1 216.756 2.201 20 0 BEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(O)c2)C[C@@H]1C[NH3+] ZINC000397251754 262920362 /nfs/dbraw/zinc/92/03/62/262920362.db2.gz CWFMYBCJYQGPAS-BZPMIXESSA-N 2 1 248.370 2.197 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)c2ccncc2)C1 ZINC000226332193 487713153 /nfs/dbraw/zinc/71/31/53/487713153.db2.gz MUUPRRMLDMJSTE-OBJOEFQTSA-N 2 1 233.359 2.202 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)C1CC1 ZINC000671743654 487718597 /nfs/dbraw/zinc/71/85/97/487718597.db2.gz GRRBHUQTUIWGHG-BEAPCOKYSA-N 2 1 236.403 2.495 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000336712245 487719795 /nfs/dbraw/zinc/71/97/95/487719795.db2.gz UXDBETCNMITXON-SRVKXCTJSA-N 2 1 230.421 2.058 20 0 BEADMP C[C@]1([NH2+]C[C@@H]([NH3+])CC(F)F)CC=CCC1 ZINC000903929696 584824055 /nfs/dbraw/zinc/82/40/55/584824055.db2.gz JQHWVJAEHNDXAU-ONGXEEELSA-N 2 1 218.291 2.057 20 0 BEADMP FC(F)C1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000681112204 487730792 /nfs/dbraw/zinc/73/07/92/487730792.db2.gz BTCWWZWMLVIQLK-RSJDFQLWSA-N 2 1 244.329 2.247 20 0 BEADMP CC(C)(C)[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000250691609 487739501 /nfs/dbraw/zinc/73/95/01/487739501.db2.gz JWBAPILCSYUBKG-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP CCc1cc(N2CCCC[C@H]2CC[NH3+])nc(C)[nH+]1 ZINC000088760654 487749873 /nfs/dbraw/zinc/74/98/73/487749873.db2.gz YGLOUOWJSBGCGU-ZDUSSCGKSA-N 2 1 248.374 2.055 20 0 BEADMP CCc1cc(N2CCCC[C@@H]2CC[NH3+])nc(C)[nH+]1 ZINC000088760653 487749958 /nfs/dbraw/zinc/74/99/58/487749958.db2.gz YGLOUOWJSBGCGU-CYBMUJFWSA-N 2 1 248.374 2.055 20 0 BEADMP C[NH+]1CCC([NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000675790216 487779318 /nfs/dbraw/zinc/77/93/18/487779318.db2.gz XJGAAANDMFZIKR-UHFFFAOYSA-N 2 1 243.354 2.352 20 0 BEADMP CC[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675882029 487786451 /nfs/dbraw/zinc/78/64/51/487786451.db2.gz PTBLSTWCUOVZNM-JSGCOSHPSA-N 2 1 240.391 2.018 20 0 BEADMP CC[C@H](C)[N@@H+](CC)CC[C@H]1CCC[NH2+]C1 ZINC000251863237 487803781 /nfs/dbraw/zinc/80/37/81/487803781.db2.gz OSROTPFDVIGAMR-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@]1(Cc2ccccc2)CCC[N@H+]1CCC[NH3+] ZINC000414751414 487821636 /nfs/dbraw/zinc/82/16/36/487821636.db2.gz AKUZWHAUYDJRTF-HNNXBMFYSA-N 2 1 232.371 2.432 20 0 BEADMP COc1ccc2c(c1)C[C@@H](C)[N@H+](CCC[NH3+])[C@@H]2C ZINC000414753539 487821542 /nfs/dbraw/zinc/82/15/42/487821542.db2.gz DUHPAQMWWMJJBB-VXGBXAGGSA-N 2 1 248.370 2.352 20 0 BEADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000252714799 322943846 /nfs/dbraw/zinc/94/38/46/322943846.db2.gz SYXDLIYCVKIPGB-MRVWCRGKSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H]1CCCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000252681291 487828697 /nfs/dbraw/zinc/82/86/97/487828697.db2.gz AAGIJTMNFJZHQX-STQMWFEESA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@H]([NH2+]CCC[NH3+])c1nc(C(C)(C)C)cs1 ZINC000415084468 487835988 /nfs/dbraw/zinc/83/59/88/487835988.db2.gz RIRFEQYMCWAADM-SECBINFHSA-N 2 1 241.404 2.440 20 0 BEADMP C[C@@H]1[C@H](C)SCC[N@H+]1CCCCCC[NH3+] ZINC000132462891 591709415 /nfs/dbraw/zinc/70/94/15/591709415.db2.gz VTWGLIPVOOXWIY-NEPJUHHUSA-N 2 1 230.421 2.331 20 0 BEADMP CC(C)CC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000379843827 487850097 /nfs/dbraw/zinc/85/00/97/487850097.db2.gz HFXMNSHQBYBXMC-STQMWFEESA-N 2 1 210.365 2.093 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCCCO ZINC000671770677 487882086 /nfs/dbraw/zinc/88/20/86/487882086.db2.gz XCKVABILBXGPSI-KGLIPLIRSA-N 2 1 242.407 2.002 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCCCO ZINC000671770677 487882093 /nfs/dbraw/zinc/88/20/93/487882093.db2.gz XCKVABILBXGPSI-KGLIPLIRSA-N 2 1 242.407 2.002 20 0 BEADMP C[C@@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C(C)(C)C ZINC000670270311 487887804 /nfs/dbraw/zinc/88/78/04/487887804.db2.gz RYTABQYMGDAEMI-RWMBFGLXSA-N 2 1 224.392 2.162 20 0 BEADMP C[C@@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)C(C)(C)C ZINC000670270311 487887811 /nfs/dbraw/zinc/88/78/11/487887811.db2.gz RYTABQYMGDAEMI-RWMBFGLXSA-N 2 1 224.392 2.162 20 0 BEADMP C[C@@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)C(C)(C)C ZINC000670270311 487887817 /nfs/dbraw/zinc/88/78/17/487887817.db2.gz RYTABQYMGDAEMI-RWMBFGLXSA-N 2 1 224.392 2.162 20 0 BEADMP C[C@@H]([NH2+]Cc1ccccc1C1CC1)[C@H](C)[NH3+] ZINC000666930298 487907833 /nfs/dbraw/zinc/90/78/33/487907833.db2.gz XOWHVBIZEXKWFP-WDEREUQCSA-N 2 1 218.344 2.389 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](C3CCC3)C2)CC[NH2+]1 ZINC000667060773 487935420 /nfs/dbraw/zinc/93/54/20/487935420.db2.gz YGSUZTHQOJNHTM-VNHYZAJKSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000667060727 487935823 /nfs/dbraw/zinc/93/58/23/487935823.db2.gz HZIYSMVTKOUQFW-KBPBESRZSA-N 2 1 224.392 2.482 20 0 BEADMP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000667060698 487935893 /nfs/dbraw/zinc/93/58/93/487935893.db2.gz BXDVMNXYPZHEEI-ZDUSSCGKSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H](C2CCC2)C1 ZINC000667060698 487935896 /nfs/dbraw/zinc/93/58/96/487935896.db2.gz BXDVMNXYPZHEEI-ZDUSSCGKSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(O)cc2)CC[N@@H+]1C ZINC000682405401 487949358 /nfs/dbraw/zinc/94/93/58/487949358.db2.gz VHUPHCYAPSHPHK-TZMCWYRMSA-N 2 1 248.370 2.307 20 0 BEADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(O)cc2)CC[N@H+]1C ZINC000682405401 487949363 /nfs/dbraw/zinc/94/93/63/487949363.db2.gz VHUPHCYAPSHPHK-TZMCWYRMSA-N 2 1 248.370 2.307 20 0 BEADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(O)cc2)CC[NH+]1C ZINC000682405401 487949368 /nfs/dbraw/zinc/94/93/68/487949368.db2.gz VHUPHCYAPSHPHK-TZMCWYRMSA-N 2 1 248.370 2.307 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(O)cc2)CC[NH+]1C ZINC000682405401 487949374 /nfs/dbraw/zinc/94/93/74/487949374.db2.gz VHUPHCYAPSHPHK-TZMCWYRMSA-N 2 1 248.370 2.307 20 0 BEADMP CCC[C@H](C)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000564736285 323014361 /nfs/dbraw/zinc/01/43/61/323014361.db2.gz NQRFKYRAPDDCRK-RYUDHWBXSA-N 2 1 221.348 2.398 20 0 BEADMP C[C@@H]([NH3+])C[C@@H](C)Nc1[nH+]ccc2cc(F)ccc21 ZINC000569694060 323037204 /nfs/dbraw/zinc/03/72/04/323037204.db2.gz IJWLKUAJEDUURH-NXEZZACHSA-N 2 1 247.317 2.334 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccoc1 ZINC000572630636 323039223 /nfs/dbraw/zinc/03/92/23/323039223.db2.gz GTRNROLZIQWTBS-JFGNBEQYSA-N 2 1 208.305 2.071 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC2(F)F)CC[N@H+]1C ZINC000394491619 323055440 /nfs/dbraw/zinc/05/54/40/323055440.db2.gz CPDFKCAMEVZNRW-WOPDTQHZSA-N 2 1 246.345 2.494 20 0 BEADMP C[N@H+](C/C=C\c1ccc(F)cc1)CCC[NH3+] ZINC000570450523 323059934 /nfs/dbraw/zinc/05/99/34/323059934.db2.gz IFWNLIMTPBSCST-RQOWECAXSA-N 2 1 222.307 2.120 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)c1ccoc1)[C@@H]1CCC[NH2+]C1 ZINC000570709441 323068027 /nfs/dbraw/zinc/06/80/27/323068027.db2.gz ZNCVRULUJCPOGG-GRYCIOLGSA-N 2 1 222.332 2.318 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000394824371 323085695 /nfs/dbraw/zinc/08/56/95/323085695.db2.gz JEDMBDYJGQQACR-SYQHCUMBSA-N 2 1 222.376 2.106 20 0 BEADMP C([NH2+][C@H]1CCC[C@H]2C[C@H]21)[C@H]1CC[N@H+](C2CC2)C1 ZINC000408510477 323120583 /nfs/dbraw/zinc/12/05/83/323120583.db2.gz PVMWLGVKMFPXLZ-OSRDXIQISA-N 2 1 234.387 2.249 20 0 BEADMP C[C@@H](CCc1ccco1)[NH2+]CCc1c[nH+]cn1C ZINC000401779997 323120870 /nfs/dbraw/zinc/12/08/70/323120870.db2.gz POEKJWHGHLZUMF-LBPRGKRZSA-N 2 1 247.342 2.167 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000414942549 323152155 /nfs/dbraw/zinc/15/21/55/323152155.db2.gz ZQPCSQGWLSROGD-WQVCFCJDSA-N 2 1 244.382 2.132 20 0 BEADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000394937720 323184703 /nfs/dbraw/zinc/18/47/03/323184703.db2.gz CHCSGVLUGOORJU-SWHYSGLUSA-N 2 1 248.370 2.270 20 0 BEADMP CSCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000535566780 323185824 /nfs/dbraw/zinc/18/58/24/323185824.db2.gz KCIKXAISTUKOAP-UHFFFAOYSA-N 2 1 244.448 2.402 20 0 BEADMP CC1(C)CC(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000530210950 323210970 /nfs/dbraw/zinc/21/09/70/323210970.db2.gz KNDHMLXAQTUPGX-OLZOCXBDSA-N 2 1 222.376 2.249 20 0 BEADMP CC1(C)CC(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000530210950 323210972 /nfs/dbraw/zinc/21/09/72/323210972.db2.gz KNDHMLXAQTUPGX-OLZOCXBDSA-N 2 1 222.376 2.249 20 0 BEADMP CC1(C)CC(C[N@H+]2CCC[C@@H](CC[NH3+])C2)C1 ZINC000530220380 323217905 /nfs/dbraw/zinc/21/79/05/323217905.db2.gz UFQKVZDSVKZGRB-LBPRGKRZSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H]1CC=CCC1 ZINC000530221848 323218621 /nfs/dbraw/zinc/21/86/21/323218621.db2.gz YPLWBVOGJIRORB-RDBSUJKOSA-N 2 1 222.376 2.320 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)o1 ZINC000532450361 323265385 /nfs/dbraw/zinc/26/53/85/323265385.db2.gz CVFGAVALJIIATO-BXUZGUMPSA-N 2 1 236.359 2.060 20 0 BEADMP CCC[C@H](CC)[NH2+]CCc1c[nH+]cn1C ZINC000309140664 323319922 /nfs/dbraw/zinc/31/99/22/323319922.db2.gz GZZBKVCRADEBTI-NSHDSACASA-N 2 1 209.337 2.131 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+]C1CCCCCC1 ZINC000309524599 323423265 /nfs/dbraw/zinc/42/32/65/323423265.db2.gz UTCPODBFQZKDPC-UHFFFAOYSA-N 2 1 221.348 2.275 20 0 BEADMP c1ccc2c(c1)CC([NH2+][C@H]1CC[NH2+]C13CCC3)C2 ZINC000530176609 324507269 /nfs/dbraw/zinc/50/72/69/324507269.db2.gz CRTCFMYUYZIXKW-HNNXBMFYSA-N 2 1 242.366 2.028 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CSC[C@H]2C)C1 ZINC000304365264 325145737 /nfs/dbraw/zinc/14/57/37/325145737.db2.gz FFYHAEMWNOEDRZ-FRRDWIJNSA-N 2 1 242.432 2.058 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000554721341 325734405 /nfs/dbraw/zinc/73/44/05/325734405.db2.gz LSQXOVJSRZWAEY-KBPBESRZSA-N 2 1 233.359 2.131 20 0 BEADMP [NH3+]C1(C[NH2+][C@H](c2cncc(F)c2)C2CC2)CCC1 ZINC000564828050 325813725 /nfs/dbraw/zinc/81/37/25/325813725.db2.gz QUQYVUOFAPOLRR-ZDUSSCGKSA-N 2 1 249.333 2.143 20 0 BEADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1cncs1 ZINC000567226727 326145846 /nfs/dbraw/zinc/14/58/46/326145846.db2.gz RPJCAHOKFFGULD-SNVBAGLBSA-N 2 1 227.377 2.182 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC12CCCC2)c1c[nH+]ccc1N ZINC000567375336 326177946 /nfs/dbraw/zinc/17/79/46/326177946.db2.gz RVRNBYNUJBBRCU-ZWNOBZJWSA-N 2 1 231.343 2.477 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC12CCCC2)c1c[nH+]ccc1N ZINC000567375334 326177975 /nfs/dbraw/zinc/17/79/75/326177975.db2.gz RVRNBYNUJBBRCU-GXFFZTMASA-N 2 1 231.343 2.477 20 0 BEADMP COCC[C@H](C)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000155979257 326215829 /nfs/dbraw/zinc/21/58/29/326215829.db2.gz CTOXVWXNDSBLDW-RDBSUJKOSA-N 2 1 242.407 2.121 20 0 BEADMP COCC[C@H](C)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000155979257 326215826 /nfs/dbraw/zinc/21/58/26/326215826.db2.gz CTOXVWXNDSBLDW-RDBSUJKOSA-N 2 1 242.407 2.121 20 0 BEADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cn1 ZINC000158082309 326308061 /nfs/dbraw/zinc/30/80/61/326308061.db2.gz VQLKABYSSQKQBA-HNNXBMFYSA-N 2 1 247.386 2.210 20 0 BEADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000158082309 326308062 /nfs/dbraw/zinc/30/80/62/326308062.db2.gz VQLKABYSSQKQBA-HNNXBMFYSA-N 2 1 247.386 2.210 20 0 BEADMP COC1(C[NH2+]CCC[NH+]2CCC2)CCCCC1 ZINC000568236269 326331796 /nfs/dbraw/zinc/33/17/96/326331796.db2.gz GGDJGLAEWULRGE-UHFFFAOYSA-N 2 1 240.391 2.021 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c(C)n1 ZINC000568996948 326385731 /nfs/dbraw/zinc/38/57/31/326385731.db2.gz NZBBDBVNQKFUNZ-SMDDNHRTSA-N 2 1 233.359 2.010 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c(C)n1 ZINC000568996948 326385732 /nfs/dbraw/zinc/38/57/32/326385732.db2.gz NZBBDBVNQKFUNZ-SMDDNHRTSA-N 2 1 233.359 2.010 20 0 BEADMP CC[C@H]1C[C@H](C[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000569290963 326398965 /nfs/dbraw/zinc/39/89/65/326398965.db2.gz OEGNOKNKBPXYDT-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)C1CCCC1 ZINC000235509940 487974908 /nfs/dbraw/zinc/97/49/08/487974908.db2.gz RELPJFBLZSPPMI-WCQYABFASA-N 2 1 210.365 2.297 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)C(C)(C)C ZINC000396621080 487990320 /nfs/dbraw/zinc/99/03/20/487990320.db2.gz HPUUWYLRGHGVOF-GRYCIOLGSA-N 2 1 212.381 2.399 20 0 BEADMP C[C@@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)C(C)(C)C ZINC000396621083 487990954 /nfs/dbraw/zinc/99/09/54/487990954.db2.gz HPUUWYLRGHGVOF-SDDRHHMPSA-N 2 1 212.381 2.399 20 0 BEADMP C[C@@H](c1ccccc1)[N@H+](C)CC(C)(C)[NH3+] ZINC000106887160 488016447 /nfs/dbraw/zinc/01/64/47/488016447.db2.gz DNNQAMXXZGWGSZ-NSHDSACASA-N 2 1 206.333 2.417 20 0 BEADMP C[C@@H](c1ccccc1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000106887160 488016451 /nfs/dbraw/zinc/01/64/51/488016451.db2.gz DNNQAMXXZGWGSZ-NSHDSACASA-N 2 1 206.333 2.417 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOCc1ccccc1 ZINC000309705105 488034437 /nfs/dbraw/zinc/03/44/37/488034437.db2.gz HLCFKZKLZJRKSF-HIFRSBDPSA-N 2 1 248.370 2.015 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOCc1ccccc1 ZINC000309705107 488034619 /nfs/dbraw/zinc/03/46/19/488034619.db2.gz HLCFKZKLZJRKSF-UKRRQHHQSA-N 2 1 248.370 2.015 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CCCC(C)C ZINC000663510260 488055201 /nfs/dbraw/zinc/05/52/01/488055201.db2.gz CTEBQZZIGQWHEI-RYUDHWBXSA-N 2 1 200.370 2.399 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000663509731 488055468 /nfs/dbraw/zinc/05/54/68/488055468.db2.gz ACXOMDMBAMVOET-OLZOCXBDSA-N 2 1 220.360 2.378 20 0 BEADMP C[N@H+]1CC[C@H](NCc2cccnc2)CC1(C)C ZINC000084519282 488056801 /nfs/dbraw/zinc/05/68/01/488056801.db2.gz XWNFUGRHEFRBMB-ZDUSSCGKSA-N 2 1 233.359 2.044 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2)CC1(C)C ZINC000084519282 488056810 /nfs/dbraw/zinc/05/68/10/488056810.db2.gz XWNFUGRHEFRBMB-ZDUSSCGKSA-N 2 1 233.359 2.044 20 0 BEADMP Cc1ncc(C[N@H+]2CC[C@H](c3ccco3)C2)n1C ZINC000667618668 488060833 /nfs/dbraw/zinc/06/08/33/488060833.db2.gz DZSCSEKVZJPCCV-LBPRGKRZSA-N 2 1 245.326 2.311 20 0 BEADMP Cc1cc[nH+]c(N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000257655135 488077021 /nfs/dbraw/zinc/07/70/21/488077021.db2.gz PHDBQNQYVLYBBK-GHMZBOCLSA-N 2 1 205.305 2.072 20 0 BEADMP C[C@H]1C[C@H](C)[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000667664538 488079591 /nfs/dbraw/zinc/07/95/91/488079591.db2.gz NLPVPLZAWZTGIK-QWRGUYRKSA-N 2 1 219.332 2.060 20 0 BEADMP C[C@H](c1cccnc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257674667 488079470 /nfs/dbraw/zinc/07/94/70/488079470.db2.gz FMTUFCZIDQZBPJ-HIFRSBDPSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@H](c1cccnc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257674667 488079475 /nfs/dbraw/zinc/07/94/75/488079475.db2.gz FMTUFCZIDQZBPJ-HIFRSBDPSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@H](c1ccccn1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257700974 488082698 /nfs/dbraw/zinc/08/26/98/488082698.db2.gz LGJBDSCWYLDNPS-UKRRQHHQSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@H](c1ccccn1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257700974 488082706 /nfs/dbraw/zinc/08/27/06/488082706.db2.gz LGJBDSCWYLDNPS-UKRRQHHQSA-N 2 1 245.370 2.218 20 0 BEADMP Cn1cncc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000335291770 488088392 /nfs/dbraw/zinc/08/83/92/488088392.db2.gz WGTNUNTUFKPPHP-CQSZACIVSA-N 2 1 227.311 2.367 20 0 BEADMP Cn1cncc1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000335291770 488088396 /nfs/dbraw/zinc/08/83/96/488088396.db2.gz WGTNUNTUFKPPHP-CQSZACIVSA-N 2 1 227.311 2.367 20 0 BEADMP CC(C)[C@@H]1CC[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000667696575 488090222 /nfs/dbraw/zinc/09/02/22/488090222.db2.gz AOGXQBQDPSBWAL-GFCCVEGCSA-N 2 1 233.359 2.307 20 0 BEADMP Cc1ccc([C@@H]2CC[N@@H+](CCC[NH3+])C2)cc1 ZINC000516423696 488098893 /nfs/dbraw/zinc/09/88/93/488098893.db2.gz QSLODHHDXYJZNA-CQSZACIVSA-N 2 1 218.344 2.133 20 0 BEADMP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000378890528 488110150 /nfs/dbraw/zinc/11/01/50/488110150.db2.gz PVMWLGVKMFPXLZ-MYZSUADSSA-N 2 1 234.387 2.249 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](CCO)CC(C)(C)C ZINC000683141221 488117986 /nfs/dbraw/zinc/11/79/86/488117986.db2.gz QLIZSEBEYNLZGO-UHFFFAOYSA-N 2 1 244.423 2.059 20 0 BEADMP C[N@@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)CC(C)(C)C[NH3+] ZINC000403234989 488119112 /nfs/dbraw/zinc/11/91/12/488119112.db2.gz AVFYXKZWXKDTTI-UPJWGTAASA-N 2 1 224.392 2.339 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667820182 488128560 /nfs/dbraw/zinc/12/85/60/488128560.db2.gz RJOHMYOFTQJNCL-XGUBFFRZSA-N 2 1 236.403 2.497 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403721645 488133900 /nfs/dbraw/zinc/13/39/00/488133900.db2.gz IDEXMOFOEYCDLJ-CBBWQLFWSA-N 2 1 236.403 2.354 20 0 BEADMP C(C1CCC1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292370 487541590 /nfs/dbraw/zinc/54/15/90/487541590.db2.gz FBHKPHLBJGEQTB-HNNXBMFYSA-N 2 1 236.403 2.498 20 0 BEADMP C[N@@H+](CCC[NH3+])C[C@@H]1CCCCC1(C)C ZINC000382065922 487530638 /nfs/dbraw/zinc/53/06/38/487530638.db2.gz QCMMLPJBFODWQS-LBPRGKRZSA-N 2 1 212.381 2.483 20 0 BEADMP C[N@@H+](CCCC1CCC1)C1CC[NH2+]CC1 ZINC000662236614 487470778 /nfs/dbraw/zinc/47/07/78/487470778.db2.gz FZELMEXKVMUOJL-UHFFFAOYSA-N 2 1 210.365 2.251 20 0 BEADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(O)cc1 ZINC000684966711 487476552 /nfs/dbraw/zinc/47/65/52/487476552.db2.gz NKJKUJQZENPRDZ-UHFFFAOYSA-N 2 1 248.370 2.310 20 0 BEADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(O)cc1 ZINC000684966711 487476554 /nfs/dbraw/zinc/47/65/54/487476554.db2.gz NKJKUJQZENPRDZ-UHFFFAOYSA-N 2 1 248.370 2.310 20 0 BEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCCCCF)C2 ZINC000381102541 487497258 /nfs/dbraw/zinc/49/72/58/487497258.db2.gz YBBOHAPFAPFGIK-STQMWFEESA-N 2 1 228.355 2.187 20 0 BEADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000300058276 487500434 /nfs/dbraw/zinc/50/04/34/487500434.db2.gz WONDFTPILQDEDV-UPJWGTAASA-N 2 1 210.365 2.297 20 0 BEADMP C[C@H]([NH2+]C1(C(F)F)CC1)C1CC[NH+](C)CC1 ZINC000381322767 487505631 /nfs/dbraw/zinc/50/56/31/487505631.db2.gz PNVVFFQETYAZMJ-VIFPVBQESA-N 2 1 232.318 2.104 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000662273269 487520585 /nfs/dbraw/zinc/52/05/85/487520585.db2.gz KYDFHZIPGMSJCH-UTUOFQBUSA-N 2 1 246.345 2.352 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000662273269 487520591 /nfs/dbraw/zinc/52/05/91/487520591.db2.gz KYDFHZIPGMSJCH-UTUOFQBUSA-N 2 1 246.345 2.352 20 0 BEADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(O)cc2)CC[N@@H+]1C ZINC000682405400 487948885 /nfs/dbraw/zinc/94/88/85/487948885.db2.gz VHUPHCYAPSHPHK-OCCSQVGLSA-N 2 1 248.370 2.307 20 0 BEADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(O)cc2)CC[N@H+]1C ZINC000682405400 487948889 /nfs/dbraw/zinc/94/88/89/487948889.db2.gz VHUPHCYAPSHPHK-OCCSQVGLSA-N 2 1 248.370 2.307 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(O)cc2)CC[NH+]1C ZINC000682405400 487948892 /nfs/dbraw/zinc/94/88/92/487948892.db2.gz VHUPHCYAPSHPHK-OCCSQVGLSA-N 2 1 248.370 2.307 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(O)cc2)CC[NH+]1C ZINC000682405400 487948898 /nfs/dbraw/zinc/94/88/98/487948898.db2.gz VHUPHCYAPSHPHK-OCCSQVGLSA-N 2 1 248.370 2.307 20 0 BEADMP C(=C\c1ccccc1)\C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000311205960 488091717 /nfs/dbraw/zinc/09/17/17/488091717.db2.gz JJNPIWZTIPLCKW-HTEAGGNKSA-N 2 1 242.366 2.241 20 0 BEADMP C(=C\c1ccccc1)\C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000311205960 488091722 /nfs/dbraw/zinc/09/17/22/488091722.db2.gz JJNPIWZTIPLCKW-HTEAGGNKSA-N 2 1 242.366 2.241 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000403752746 488136474 /nfs/dbraw/zinc/13/64/74/488136474.db2.gz PHIPXINHUVOMDZ-SUJAAXHWSA-N 2 1 248.414 2.354 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000677985651 488168662 /nfs/dbraw/zinc/16/86/62/488168662.db2.gz VYDFNNINCUSRQY-ZDUSSCGKSA-N 2 1 245.326 2.274 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](c2ccco2)C1 ZINC000677985651 488168666 /nfs/dbraw/zinc/16/86/66/488168666.db2.gz VYDFNNINCUSRQY-ZDUSSCGKSA-N 2 1 245.326 2.274 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)C(C)(C)C ZINC000310563644 488168763 /nfs/dbraw/zinc/16/87/63/488168763.db2.gz WOTRDOKSYHWAAQ-QWHCGFSZSA-N 2 1 244.423 2.054 20 0 BEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000310563644 488168767 /nfs/dbraw/zinc/16/87/67/488168767.db2.gz WOTRDOKSYHWAAQ-QWHCGFSZSA-N 2 1 244.423 2.054 20 0 BEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000310563644 488168771 /nfs/dbraw/zinc/16/87/71/488168771.db2.gz WOTRDOKSYHWAAQ-QWHCGFSZSA-N 2 1 244.423 2.054 20 0 BEADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CCC1 ZINC000143855647 488176689 /nfs/dbraw/zinc/17/66/89/488176689.db2.gz QZXXOIOZGOLROP-UHFFFAOYSA-N 2 1 230.355 2.317 20 0 BEADMP Cc1ncc(C[N@H+]2CCCC3(CC3)C2)n1C ZINC000667998839 488179568 /nfs/dbraw/zinc/17/95/68/488179568.db2.gz KVNTVGSNXDLYNX-UHFFFAOYSA-N 2 1 219.332 2.105 20 0 BEADMP C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000398109426 488211256 /nfs/dbraw/zinc/21/12/56/488211256.db2.gz WTLQOFJIVZDXAG-AAEUAGOBSA-N 2 1 210.365 2.297 20 0 BEADMP CCc1cc(NC(C)(C)C[NH+](C)C)nc(C)[nH+]1 ZINC000308632075 488213269 /nfs/dbraw/zinc/21/32/69/488213269.db2.gz FHFOUWXPBZTDDJ-UHFFFAOYSA-N 2 1 236.363 2.100 20 0 BEADMP C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000398736515 488223740 /nfs/dbraw/zinc/22/37/40/488223740.db2.gz UWZOFVITVIHWMC-OLZOCXBDSA-N 2 1 208.349 2.003 20 0 BEADMP C(C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000398736515 488223743 /nfs/dbraw/zinc/22/37/43/488223743.db2.gz UWZOFVITVIHWMC-OLZOCXBDSA-N 2 1 208.349 2.003 20 0 BEADMP CC[C@H](C[NH2+][C@@H](C)CCCCO)[NH+]1CCCC1 ZINC000679332796 488335827 /nfs/dbraw/zinc/33/58/27/488335827.db2.gz YWIWQDUJCIGCSX-UONOGXRCSA-N 2 1 242.407 2.002 20 0 BEADMP CC[C@H](C)C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000070585328 490222425 /nfs/dbraw/zinc/22/24/25/490222425.db2.gz XMHJMOOAPNVLBD-STQMWFEESA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000070585328 490222431 /nfs/dbraw/zinc/22/24/31/490222431.db2.gz XMHJMOOAPNVLBD-STQMWFEESA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)C1CC1 ZINC000121862394 490481102 /nfs/dbraw/zinc/48/11/02/490481102.db2.gz AYNYFHNCHHIAKD-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP CCN1CCC([N@@H+](C)Cc2ccc(O)cc2)CC1 ZINC000131418989 490636705 /nfs/dbraw/zinc/63/67/05/490636705.db2.gz ZACFVSZPLXXIHG-UHFFFAOYSA-N 2 1 248.370 2.308 20 0 BEADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(O)cc2)CC1 ZINC000131418989 490636708 /nfs/dbraw/zinc/63/67/08/490636708.db2.gz ZACFVSZPLXXIHG-UHFFFAOYSA-N 2 1 248.370 2.308 20 0 BEADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000662275368 491085705 /nfs/dbraw/zinc/08/57/05/491085705.db2.gz BIORHJFHZDXEDQ-QMHWVQJVSA-N 2 1 248.414 2.497 20 0 BEADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)CCOC)C1 ZINC000088536780 491104706 /nfs/dbraw/zinc/10/47/06/491104706.db2.gz KYWFGCUGDAUKAW-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)CCOC)C1 ZINC000088536780 491104707 /nfs/dbraw/zinc/10/47/07/491104707.db2.gz KYWFGCUGDAUKAW-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)CCOC)C1 ZINC000088536780 491104709 /nfs/dbraw/zinc/10/47/09/491104709.db2.gz KYWFGCUGDAUKAW-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)CCOC)C1 ZINC000088536779 491104867 /nfs/dbraw/zinc/10/48/67/491104867.db2.gz KYWFGCUGDAUKAW-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)CCOC)C1 ZINC000088536779 491104868 /nfs/dbraw/zinc/10/48/68/491104868.db2.gz KYWFGCUGDAUKAW-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)CCOC)C1 ZINC000088536779 491104870 /nfs/dbraw/zinc/10/48/70/491104870.db2.gz KYWFGCUGDAUKAW-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP C[C@H]1CCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667619143 491110138 /nfs/dbraw/zinc/11/01/38/491110138.db2.gz UEXPODYLJXMFAO-LBPRGKRZSA-N 2 1 242.326 2.252 20 0 BEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCSC2)CC[N@@H+]1C ZINC000494935432 533892919 /nfs/dbraw/zinc/89/29/19/533892919.db2.gz JBINGDDRCVPLPM-FRRDWIJNSA-N 2 1 242.432 2.154 20 0 BEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCSC2)CC[N@H+]1C ZINC000494935432 533892930 /nfs/dbraw/zinc/89/29/30/533892930.db2.gz JBINGDDRCVPLPM-FRRDWIJNSA-N 2 1 242.432 2.154 20 0 BEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCSC2)CC[NH+]1C ZINC000494935432 533892939 /nfs/dbraw/zinc/89/29/39/533892939.db2.gz JBINGDDRCVPLPM-FRRDWIJNSA-N 2 1 242.432 2.154 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCSC2)CC[NH+]1C ZINC000494935432 533892949 /nfs/dbraw/zinc/89/29/49/533892949.db2.gz JBINGDDRCVPLPM-FRRDWIJNSA-N 2 1 242.432 2.154 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253226533 535612607 /nfs/dbraw/zinc/61/26/07/535612607.db2.gz JFLMCKHONSKUBU-YNEHKIRRSA-N 2 1 212.381 2.339 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cncc(C)c2)[C@H](C)C1 ZINC000181830291 535770746 /nfs/dbraw/zinc/77/07/46/535770746.db2.gz WAFVRMLEVLBYAQ-HIFRSBDPSA-N 2 1 247.386 2.210 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cncc(C)c2)[C@H](C)C1 ZINC000181830291 535770752 /nfs/dbraw/zinc/77/07/52/535770752.db2.gz WAFVRMLEVLBYAQ-HIFRSBDPSA-N 2 1 247.386 2.210 20 0 BEADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCCO1 ZINC000181741752 535808448 /nfs/dbraw/zinc/80/84/48/535808448.db2.gz RGGMWZABEGYHFN-AAVRWANBSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCCO1 ZINC000181741752 535808449 /nfs/dbraw/zinc/80/84/49/535808449.db2.gz RGGMWZABEGYHFN-AAVRWANBSA-N 2 1 240.391 2.016 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261561597 536178928 /nfs/dbraw/zinc/17/89/28/536178928.db2.gz FZSFWDYBRZCXMJ-HZPDHXFCSA-N 2 1 244.382 2.290 20 0 BEADMP CC(C)(C)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252877790 534604887 /nfs/dbraw/zinc/60/48/87/534604887.db2.gz WWFMSKPLNWUSJC-SRVKXCTJSA-N 2 1 210.365 2.092 20 0 BEADMP CC(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252668353 534612239 /nfs/dbraw/zinc/61/22/39/534612239.db2.gz VJNQQHQMQXDHRS-RYUDHWBXSA-N 2 1 210.365 2.249 20 0 BEADMP C[NH2+][C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC000261576993 536375753 /nfs/dbraw/zinc/37/57/53/536375753.db2.gz KSLHIGZRHCXEJY-CYBMUJFWSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH2+][C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC000261576993 536375757 /nfs/dbraw/zinc/37/57/57/536375757.db2.gz KSLHIGZRHCXEJY-CYBMUJFWSA-N 2 1 224.392 2.497 20 0 BEADMP CCCSC[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000892455275 582891059 /nfs/dbraw/zinc/89/10/59/582891059.db2.gz XNMVOPWSQOUYOS-NSHDSACASA-N 2 1 230.421 2.202 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1C[C@@H]1C ZINC000309100205 527989614 /nfs/dbraw/zinc/98/96/14/527989614.db2.gz GJMNNIMNHSUSID-XQQFMLRXSA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1C[C@@H]1C ZINC000309100205 527989619 /nfs/dbraw/zinc/98/96/19/527989619.db2.gz GJMNNIMNHSUSID-XQQFMLRXSA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@H]1C[C@H]1C ZINC000309100202 527990543 /nfs/dbraw/zinc/99/05/43/527990543.db2.gz GJMNNIMNHSUSID-JHJVBQTASA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@H]1C[C@H]1C ZINC000309100202 527990548 /nfs/dbraw/zinc/99/05/48/527990548.db2.gz GJMNNIMNHSUSID-JHJVBQTASA-N 2 1 212.381 2.352 20 0 BEADMP CCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000308893031 528186684 /nfs/dbraw/zinc/18/66/84/528186684.db2.gz XXYKWDYGTLNJTN-BETUJISGSA-N 2 1 210.365 2.108 20 0 BEADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2C[C@@H]2C)CC1 ZINC000488314553 528195745 /nfs/dbraw/zinc/19/57/45/528195745.db2.gz OJEKVDUNRGUADH-STQMWFEESA-N 2 1 224.392 2.449 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H]1C[C@H]1C ZINC000309037104 528234684 /nfs/dbraw/zinc/23/46/84/528234684.db2.gz ITFUJPQKVHRFIK-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H]1C[C@H]1C ZINC000309037104 528234689 /nfs/dbraw/zinc/23/46/89/528234689.db2.gz ITFUJPQKVHRFIK-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H]1C[C@@H]1C ZINC000309037105 528235002 /nfs/dbraw/zinc/23/50/02/528235002.db2.gz ITFUJPQKVHRFIK-XQQFMLRXSA-N 2 1 210.365 2.106 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H]1C[C@@H]1C ZINC000309037105 528235005 /nfs/dbraw/zinc/23/50/05/528235005.db2.gz ITFUJPQKVHRFIK-XQQFMLRXSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000400006185 528554003 /nfs/dbraw/zinc/55/40/03/528554003.db2.gz RLKLPELXYBQTEU-OLZOCXBDSA-N 2 1 210.365 2.092 20 0 BEADMP CCC(CC)C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309036023 528753567 /nfs/dbraw/zinc/75/35/67/528753567.db2.gz GACAEMHCQMIQIR-DGCLKSJQSA-N 2 1 212.381 2.339 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000309072616 528829833 /nfs/dbraw/zinc/82/98/33/528829833.db2.gz GFJVJBADYYYHHX-YNEHKIRRSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000309072616 528829838 /nfs/dbraw/zinc/82/98/38/528829838.db2.gz GFJVJBADYYYHHX-YNEHKIRRSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2C[C@H]2C)CC1 ZINC000488354934 528990790 /nfs/dbraw/zinc/99/07/90/528990790.db2.gz WYFWKMZAESQJGI-CHWSQXEVSA-N 2 1 224.392 2.447 20 0 BEADMP CC[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000302365365 529356480 /nfs/dbraw/zinc/35/64/80/529356480.db2.gz KKDAZURKEUHPEL-YUELXQCFSA-N 2 1 232.371 2.459 20 0 BEADMP CC[C@H](C[NH2+]CC(C)(C)COC)[NH+]1CCCC1 ZINC000494325062 529360880 /nfs/dbraw/zinc/36/08/80/529360880.db2.gz BJKNCTGQCNKSAM-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP CC(C)(C)[C@@H]([NH2+]CC[NH3+])c1ccc(F)cc1 ZINC000261596822 535055246 /nfs/dbraw/zinc/05/52/46/535055246.db2.gz YYAYBDNNLYWOKD-LBPRGKRZSA-N 2 1 224.323 2.461 20 0 BEADMP CC(C)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000178627717 535134454 /nfs/dbraw/zinc/13/44/54/535134454.db2.gz TYFVEOHVWGMFQO-CHWSQXEVSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000178627717 535134460 /nfs/dbraw/zinc/13/44/60/535134460.db2.gz TYFVEOHVWGMFQO-CHWSQXEVSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000178627717 535134464 /nfs/dbraw/zinc/13/44/64/535134464.db2.gz TYFVEOHVWGMFQO-CHWSQXEVSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)([NH3+])C[NH2+]Cc1ccc(Cl)cc1 ZINC000258788958 535209748 /nfs/dbraw/zinc/20/97/48/535209748.db2.gz JCVHNAGBRLPPMZ-UHFFFAOYSA-N 2 1 212.724 2.167 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1C ZINC000249933611 535590392 /nfs/dbraw/zinc/59/03/92/535590392.db2.gz FKRQBNSLXBNQBZ-FRRDWIJNSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@]1(C)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261554801 535910672 /nfs/dbraw/zinc/91/06/72/535910672.db2.gz UPQHMGHJFJKKTG-QWHCGFSZSA-N 2 1 210.365 2.108 20 0 BEADMP CC[C@@]1(C)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261542676 536049096 /nfs/dbraw/zinc/04/90/96/536049096.db2.gz HDPHWVWEOUHSPO-ZDUSSCGKSA-N 2 1 210.365 2.108 20 0 BEADMP CC[C@H](CSC)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252730747 536126562 /nfs/dbraw/zinc/12/65/62/536126562.db2.gz MRYSGFNAQBSGMJ-UPJWGTAASA-N 2 1 242.432 2.344 20 0 BEADMP CN1CCC([NH2+]Cc2cc3cccnc3o2)CC1 ZINC000336208436 536344249 /nfs/dbraw/zinc/34/42/49/536344249.db2.gz KOKDUDUQQUPVEV-UHFFFAOYSA-N 2 1 245.326 2.012 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000253197884 536345304 /nfs/dbraw/zinc/34/53/04/536345304.db2.gz VIUJVHFHMOGHTO-HAQNSBGRSA-N 2 1 210.365 2.249 20 0 BEADMP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1C ZINC000262016361 536770162 /nfs/dbraw/zinc/77/01/62/536770162.db2.gz VSZYROQXOODIGO-OCCSQVGLSA-N 2 1 248.370 2.173 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC000145838288 537825675 /nfs/dbraw/zinc/82/56/75/537825675.db2.gz WMERLLDQCPOUQM-TZMCWYRMSA-N 2 1 218.344 2.103 20 0 BEADMP C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853240261 588728298 /nfs/dbraw/zinc/72/82/98/588728298.db2.gz OFXGKLOJWMOKPI-BPLDGKMQSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1cc([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1N ZINC000853248051 588728878 /nfs/dbraw/zinc/72/88/78/588728878.db2.gz KOYQUZYHEQIOCA-YRGRVCCFSA-N 2 1 245.370 2.377 20 0 BEADMP Cc1cc([NH2+]C[C@H]2CC[NH2+][C@H](C)C2)ccc1N ZINC000853248295 588729004 /nfs/dbraw/zinc/72/90/04/588729004.db2.gz RENBQPGIWKJPIX-NEPJUHHUSA-N 2 1 233.359 2.377 20 0 BEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1C=CCC1 ZINC000854221602 588780300 /nfs/dbraw/zinc/78/03/00/588780300.db2.gz PUHKGNZNWPCKQF-QEJZJMRPSA-N 2 1 230.355 2.253 20 0 BEADMP CCC[C@@H](C)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000757135095 582514281 /nfs/dbraw/zinc/51/42/81/582514281.db2.gz YKEFQTJKBYWEMV-CHWSQXEVSA-N 2 1 210.365 2.393 20 0 BEADMP CC[C@@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000891780819 582720141 /nfs/dbraw/zinc/72/01/41/582720141.db2.gz CNIMYJDXZMDSEQ-CYBMUJFWSA-N 2 1 210.365 2.203 20 0 BEADMP CCC(C)(C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000892005743 582759513 /nfs/dbraw/zinc/75/95/13/582759513.db2.gz XEZWYFNKDKRFJY-UHFFFAOYSA-N 2 1 212.381 2.449 20 0 BEADMP C[C@@H]1CC[C@@H](C)[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000892069314 582784637 /nfs/dbraw/zinc/78/46/37/582784637.db2.gz HWQYRMNCUJPWDC-CHWSQXEVSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@]1(C)CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000892144230 582800428 /nfs/dbraw/zinc/80/04/28/582800428.db2.gz MNSJGBQPFKDHBP-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCc1cccs1)C2 ZINC000857086551 588887062 /nfs/dbraw/zinc/88/70/62/588887062.db2.gz LRRMGOWWVLEMJF-DGCLKSJQSA-N 2 1 236.384 2.104 20 0 BEADMP CC(C)C[C@@H]1C[C@H]([NH2+]Cc2c[nH]cn2)CCO1 ZINC000894374902 583442077 /nfs/dbraw/zinc/44/20/77/583442077.db2.gz HIHDFQPDDAFSPA-DGCLKSJQSA-N 2 1 237.347 2.093 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](CF)C1 ZINC000880237080 583506478 /nfs/dbraw/zinc/50/64/78/583506478.db2.gz PQJFWUHTRMIKBL-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](CF)C1 ZINC000880237080 583506480 /nfs/dbraw/zinc/50/64/80/583506480.db2.gz PQJFWUHTRMIKBL-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](CF)C1 ZINC000880237080 583506482 /nfs/dbraw/zinc/50/64/82/583506482.db2.gz PQJFWUHTRMIKBL-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@@H](C)[C@H]1C ZINC000894959556 583559416 /nfs/dbraw/zinc/55/94/16/583559416.db2.gz YIRCEFYWDLFQIZ-AGIUHOORSA-N 2 1 224.392 2.305 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC000895188232 583619589 /nfs/dbraw/zinc/61/95/89/583619589.db2.gz IHUAPEAEZALKCP-LBPRGKRZSA-N 2 1 244.329 2.059 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](CF)C2)CC1 ZINC000896000967 583760378 /nfs/dbraw/zinc/76/03/78/583760378.db2.gz ZYQFVERHYUKFAH-ZDUSSCGKSA-N 2 1 228.355 2.010 20 0 BEADMP Cc1ccc(NCCNc2cc[nH+]c(C)c2)[nH+]c1 ZINC000896455905 583803052 /nfs/dbraw/zinc/80/30/52/583803052.db2.gz KHVSCEFLEGCHBC-UHFFFAOYSA-N 2 1 242.326 2.039 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCC=CO2)CC1(C)C ZINC000858158539 588936117 /nfs/dbraw/zinc/93/61/17/588936117.db2.gz LFAPBTNGLSCKHV-CHWSQXEVSA-N 2 1 238.375 2.142 20 0 BEADMP CCO[C@H](C[NH2+][C@H]1CC=C(C)CC1)C[NH+](C)C ZINC000896879972 583845013 /nfs/dbraw/zinc/84/50/13/583845013.db2.gz JUQXUIZOIXBFHT-UONOGXRCSA-N 2 1 240.391 2.042 20 0 BEADMP CCO[C@@H](C[NH2+]C[C@@H](C)CC(C)C)C[NH+](C)C ZINC000896880492 583845293 /nfs/dbraw/zinc/84/52/93/583845293.db2.gz WVKSPKIPUBGMOA-KBPBESRZSA-N 2 1 244.423 2.225 20 0 BEADMP CCO[C@@H](C[NH2+]C[C@@H](C)C(C)(C)C)C[NH+](C)C ZINC000896880215 583845635 /nfs/dbraw/zinc/84/56/35/583845635.db2.gz QXASNQUXAFAMMK-OLZOCXBDSA-N 2 1 244.423 2.225 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCc2cccnc2)CC1(C)C ZINC000858093435 588932260 /nfs/dbraw/zinc/93/22/60/588932260.db2.gz BFOIQCOEVJOOMU-AWEZNQCLSA-N 2 1 247.386 2.087 20 0 BEADMP [NH3+]C1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000144218082 583926622 /nfs/dbraw/zinc/92/66/22/583926622.db2.gz WFNZTJWHNNELBY-DAXSKMNVSA-N 2 1 216.328 2.123 20 0 BEADMP C[N@@H+](CCOC(C)(C)C)CC1CC[NH+](C)CC1 ZINC000729265336 583988192 /nfs/dbraw/zinc/98/81/92/583988192.db2.gz BSIWYNHMSXSNEK-UHFFFAOYSA-N 2 1 242.407 2.075 20 0 BEADMP [NH3+]C[C@@H]([NH2+]Cc1cncc2ccccc21)C1CC1 ZINC000841027898 584025229 /nfs/dbraw/zinc/02/52/29/584025229.db2.gz GJXDQLPNVMHSCF-OAHLLOKOSA-N 2 1 241.338 2.062 20 0 BEADMP F[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000865697167 584026899 /nfs/dbraw/zinc/02/68/99/584026899.db2.gz UKOXHEIBSBABER-FQUUOJAGSA-N 2 1 240.366 2.484 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)[C@@H](C)C1 ZINC000897955917 584065646 /nfs/dbraw/zinc/06/56/46/584065646.db2.gz YZUXVYCFHVOUNC-SBJFKYEJSA-N 2 1 236.403 2.495 20 0 BEADMP C(CC1CC1)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000866666084 584121617 /nfs/dbraw/zinc/12/16/17/584121617.db2.gz NFJZEHRPFQNKHD-GJZGRUSLSA-N 2 1 236.403 2.498 20 0 BEADMP C[N@@H+]1CC[C@@H]([NH2+]C/C=C/Cl)CC1(C)C ZINC000898430117 584134678 /nfs/dbraw/zinc/13/46/78/584134678.db2.gz UXAMDJMOODIHSP-DFVUYQKZSA-N 2 1 216.756 2.201 20 0 BEADMP Cc1[nH+]c(N)ccc1-c1ccc2c(c1)C[C@H]([NH3+])C2 ZINC000899324340 584196828 /nfs/dbraw/zinc/19/68/28/584196828.db2.gz VTEHGQHCDWZHAO-CYBMUJFWSA-N 2 1 239.322 2.065 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2NC)C1 ZINC000902078459 584520390 /nfs/dbraw/zinc/52/03/90/584520390.db2.gz LZXUXAUMRIKEJY-ZDUSSCGKSA-N 2 1 247.386 2.160 20 0 BEADMP Cc1cc(F)ccc1[C@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902406086 584573921 /nfs/dbraw/zinc/57/39/21/584573921.db2.gz LCXWMZIINSZOGM-JTQLQIEISA-N 2 1 222.307 2.276 20 0 BEADMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1cc2c(s1)CCC2 ZINC000902412457 584576461 /nfs/dbraw/zinc/57/64/61/584576461.db2.gz AGSRZJYMAQRPJO-SECBINFHSA-N 2 1 236.384 2.379 20 0 BEADMP Cc1cccc(CC[C@H](C)[NH2+]CC2([NH3+])CC2)c1 ZINC000902415798 584590199 /nfs/dbraw/zinc/59/01/99/584590199.db2.gz JWKITVSEZZDFOR-ZDUSSCGKSA-N 2 1 232.371 2.397 20 0 BEADMP CC[C@@H]([NH2+]CC1([NH3+])CC1)c1cccs1 ZINC000902416679 584590714 /nfs/dbraw/zinc/59/07/14/584590714.db2.gz WFPIXMWZPJJKJA-SECBINFHSA-N 2 1 210.346 2.280 20 0 BEADMP Cc1ccc2c(c1)[C@@H]([NH2+]CC1([NH3+])CC1)CC2 ZINC000902416965 584591168 /nfs/dbraw/zinc/59/11/68/584591168.db2.gz QITFIDCZOVYWHH-ZDUSSCGKSA-N 2 1 216.328 2.063 20 0 BEADMP C[C@@H](CCC1CCCC1)[NH2+]CC1([NH3+])CC1 ZINC000902416993 584591225 /nfs/dbraw/zinc/59/12/25/584591225.db2.gz QRXWRCXHULYKDT-NSHDSACASA-N 2 1 210.365 2.426 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)C1CC1 ZINC000902432264 584595641 /nfs/dbraw/zinc/59/56/41/584595641.db2.gz PFMXRCLYDVDATA-ZYHUDNBSSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902443037 584598596 /nfs/dbraw/zinc/59/85/96/584598596.db2.gz CDFJOUOJBQQXHB-OFIBSPLFSA-N 2 1 240.416 2.001 20 0 BEADMP C[C@H](CCc1ccco1)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902444355 584598909 /nfs/dbraw/zinc/59/89/09/584598909.db2.gz HCJZIBXUVKVOLH-YPMHNXCESA-N 2 1 236.359 2.188 20 0 BEADMP [NH3+]C1(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000902413400 584599784 /nfs/dbraw/zinc/59/97/84/584599784.db2.gz LIUSUDMREHQLCJ-CYBMUJFWSA-N 2 1 234.318 2.358 20 0 BEADMP C[C@H](CCc1ccccc1F)[NH2+]CC1([NH3+])CC1 ZINC000902415098 584601579 /nfs/dbraw/zinc/60/15/79/584601579.db2.gz AJGWCLSWWWUORG-LLVKDONJSA-N 2 1 236.334 2.228 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902448366 584605626 /nfs/dbraw/zinc/60/56/26/584605626.db2.gz ZTPDAMRZIANBNI-XYTAGDGMSA-N 2 1 240.416 2.143 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000902453652 584608931 /nfs/dbraw/zinc/60/89/31/584608931.db2.gz DHFVBKPNYUQPDL-WOPDTQHZSA-N 2 1 246.345 2.400 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCCC(C)(C)O1)[C@@H]1CCC[NH2+]1 ZINC000902461274 584611441 /nfs/dbraw/zinc/61/14/41/584611441.db2.gz NLYXXBHELCNDNC-UPJWGTAASA-N 2 1 240.391 2.064 20 0 BEADMP CNc1ccccc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000902466058 584613790 /nfs/dbraw/zinc/61/37/90/584613790.db2.gz IMAFXFGUKQSGMP-UHFFFAOYSA-N 2 1 245.370 2.080 20 0 BEADMP C1CC2(CCCC2)[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902465735 584614084 /nfs/dbraw/zinc/61/40/84/584614084.db2.gz IUZAXWYQPIOEEN-XQHKEYJVSA-N 2 1 220.360 2.192 20 0 BEADMP C[N@H+]1CCCC[C@@H]1CCN1CCC[C@@H](F)C1 ZINC000903002139 584716245 /nfs/dbraw/zinc/71/62/45/584716245.db2.gz WUOVXZFABKJGLJ-CHWSQXEVSA-N 2 1 228.355 2.295 20 0 BEADMP C[C@@H](C[NH2+][C@@H](c1ccccn1)C1CC1)C[NH+](C)C ZINC000903174932 584732810 /nfs/dbraw/zinc/73/28/10/584732810.db2.gz PJNPXTLUDZJRIQ-SWLSCSKDSA-N 2 1 247.386 2.320 20 0 BEADMP CO[C@H]1CCC[C@H]1[NH2+]CCC[N@@H+](C)CC(C)C ZINC000903195062 584734315 /nfs/dbraw/zinc/73/43/15/584734315.db2.gz URXUWRZKWLZSLO-KGLIPLIRSA-N 2 1 242.407 2.121 20 0 BEADMP CO[C@@H]1CCC[C@@H]1[NH2+]CCC[N@@H+](C)CC(C)C ZINC000903195063 584734466 /nfs/dbraw/zinc/73/44/66/584734466.db2.gz URXUWRZKWLZSLO-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000903255683 584740072 /nfs/dbraw/zinc/74/00/72/584740072.db2.gz ZEXTZWBFZORWJL-OAFXHQAOSA-N 2 1 248.414 2.493 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000903319498 584746019 /nfs/dbraw/zinc/74/60/19/584746019.db2.gz VAKYJBIYYMWXEY-LOGRNBMNSA-N 2 1 234.387 2.105 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)CC[C@@H]1[NH3+] ZINC000903425253 584761021 /nfs/dbraw/zinc/76/10/21/584761021.db2.gz YNMIEXWSIYVZSE-FZMZJTMJSA-N 2 1 243.354 2.337 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)CC[C@H]1[NH3+] ZINC000903425255 584761265 /nfs/dbraw/zinc/76/12/65/584761265.db2.gz YNMIEXWSIYVZSE-SMDDNHRTSA-N 2 1 243.354 2.337 20 0 BEADMP C[C@@H](C1CC1)[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000903430784 584761862 /nfs/dbraw/zinc/76/18/62/584761862.db2.gz AXOMPJOMGIZJDB-MDZLAQPJSA-N 2 1 222.376 2.105 20 0 BEADMP C[C@H](c1cccc(O)c1)[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903435896 584761978 /nfs/dbraw/zinc/76/19/78/584761978.db2.gz ZPUWYBUIZQODTR-BZPMIXESSA-N 2 1 248.370 2.241 20 0 BEADMP C[C@@H](c1cccc(O)c1)[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903435897 584762129 /nfs/dbraw/zinc/76/21/29/584762129.db2.gz ZPUWYBUIZQODTR-DYEKYZERSA-N 2 1 248.370 2.241 20 0 BEADMP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903422071 584763853 /nfs/dbraw/zinc/76/38/53/584763853.db2.gz VJUUJTFBEUIFRT-YFKTTZPYSA-N 2 1 244.329 2.091 20 0 BEADMP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903422071 584763854 /nfs/dbraw/zinc/76/38/54/584763854.db2.gz VJUUJTFBEUIFRT-YFKTTZPYSA-N 2 1 244.329 2.091 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903422642 584764577 /nfs/dbraw/zinc/76/45/77/584764577.db2.gz HGZOJUUOGFXUON-ZDUSSCGKSA-N 2 1 243.354 2.209 20 0 BEADMP CC(C)[N@@H+](CC1CCC1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903459487 584766130 /nfs/dbraw/zinc/76/61/30/584766130.db2.gz UINKEJDKYRRHTR-OCCSQVGLSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903460840 584766848 /nfs/dbraw/zinc/76/68/48/584766848.db2.gz JRHZYIGKZXBHQC-RISCZKNCSA-N 2 1 243.354 2.480 20 0 BEADMP CC[N@@H+](CCc1ccccn1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903442465 584767053 /nfs/dbraw/zinc/76/70/53/584767053.db2.gz RLYOOZZMOPEMDZ-KGLIPLIRSA-N 2 1 247.386 2.073 20 0 BEADMP C[N@@H+](C[C@H]1CC1(C)C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903464552 584770497 /nfs/dbraw/zinc/77/04/97/584770497.db2.gz RFXRHYUEHPJVQR-UTUOFQBUSA-N 2 1 210.365 2.092 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000903453835 584772627 /nfs/dbraw/zinc/77/26/27/584772627.db2.gz NJEYFYSEIRDEMP-QPSCCSFWSA-N 2 1 236.403 2.354 20 0 BEADMP C[N@H+](Cc1ccc2cc[nH]c2c1)[C@H](C[NH3+])C1CC1 ZINC000903453124 584772866 /nfs/dbraw/zinc/77/28/66/584772866.db2.gz ZVFXFTSYCMAYGF-OAHLLOKOSA-N 2 1 243.354 2.337 20 0 BEADMP C[N@@H+](Cc1ccc2cc[nH]c2c1)[C@H](C[NH3+])C1CC1 ZINC000903453124 584772867 /nfs/dbraw/zinc/77/28/67/584772867.db2.gz ZVFXFTSYCMAYGF-OAHLLOKOSA-N 2 1 243.354 2.337 20 0 BEADMP C[N@@H+](Cc1ccc2cc[nH]c2c1)C1CC([NH3+])C1 ZINC000903454023 584772993 /nfs/dbraw/zinc/77/29/93/584772993.db2.gz RNKGHTWRGMRSHA-UHFFFAOYSA-N 2 1 229.327 2.089 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCCC(C)(F)F ZINC000903455139 584773305 /nfs/dbraw/zinc/77/33/05/584773305.db2.gz RDNPXDZKNPDHET-GMTAPVOTSA-N 2 1 234.334 2.398 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000903454407 584773336 /nfs/dbraw/zinc/77/33/36/584773336.db2.gz BMKCVGOQTGQBPZ-NJMOYASZSA-N 2 1 210.365 2.009 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCCC(C)(F)F ZINC000903455140 584773578 /nfs/dbraw/zinc/77/35/78/584773578.db2.gz RDNPXDZKNPDHET-MXWKQRLJSA-N 2 1 234.334 2.398 20 0 BEADMP C[C@]12C[N@@H+](CC3CC[NH2+]CC3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903707108 584791564 /nfs/dbraw/zinc/79/15/64/584791564.db2.gz LOANTTMRFKAEDZ-XUWVNRHRSA-N 2 1 248.414 2.354 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2CF)C1 ZINC000903716756 584791839 /nfs/dbraw/zinc/79/18/39/584791839.db2.gz RPWVINHITUHUTA-GFCCVEGCSA-N 2 1 236.334 2.197 20 0 BEADMP [NH3+]C1CC[NH+](Cc2ccccc2CF)CC1 ZINC000903713477 584793877 /nfs/dbraw/zinc/79/38/77/584793877.db2.gz RZDNNZAIFLBUMZ-UHFFFAOYSA-N 2 1 222.307 2.079 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC2CC(C)C2)C1 ZINC000903716265 584794298 /nfs/dbraw/zinc/79/42/98/584794298.db2.gz LESVNSHWTXHJCB-MVKMKZAISA-N 2 1 210.365 2.092 20 0 BEADMP CC1CC(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)C1 ZINC000903751148 584795751 /nfs/dbraw/zinc/79/57/51/584795751.db2.gz BNCBRBCJXMGNDC-APSDNXJZSA-N 2 1 210.365 2.009 20 0 BEADMP CC1CC(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000903740889 584796067 /nfs/dbraw/zinc/79/60/67/584796067.db2.gz LTJDSCSDCWYTFY-WUCCLRPBSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1CF ZINC000903767215 584797812 /nfs/dbraw/zinc/79/78/12/584797812.db2.gz FSIFYUYSBGDQMF-RISCZKNCSA-N 2 1 236.334 2.468 20 0 BEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccccc1CF)C2 ZINC000903780023 584799892 /nfs/dbraw/zinc/79/98/92/584799892.db2.gz CPTIRILXEKWKOT-LSDHHAIUSA-N 2 1 248.345 2.197 20 0 BEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccccc1CF)C2 ZINC000903780023 584799893 /nfs/dbraw/zinc/79/98/93/584799893.db2.gz CPTIRILXEKWKOT-LSDHHAIUSA-N 2 1 248.345 2.197 20 0 BEADMP C[C@H]1CSCCC[N@H+]1CCCCCC[NH3+] ZINC000903829789 584805823 /nfs/dbraw/zinc/80/58/23/584805823.db2.gz KMWJYMVEMRPQSZ-LBPRGKRZSA-N 2 1 230.421 2.333 20 0 BEADMP C[C@H]1CSCCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903831608 584805958 /nfs/dbraw/zinc/80/59/58/584805958.db2.gz KXEYVSFJAQSKQP-QWHCGFSZSA-N 2 1 242.432 2.204 20 0 BEADMP CCCCCC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903849578 584808340 /nfs/dbraw/zinc/80/83/40/584808340.db2.gz DJSHFTZXKZEKQX-OLZOCXBDSA-N 2 1 210.365 2.380 20 0 BEADMP CCCCCC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903849578 584808341 /nfs/dbraw/zinc/80/83/41/584808341.db2.gz DJSHFTZXKZEKQX-OLZOCXBDSA-N 2 1 210.365 2.380 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@@H]2CC[C@]21CN ZINC000903856535 584808815 /nfs/dbraw/zinc/80/88/15/584808815.db2.gz ABFUZHQDEOEACN-STQMWFEESA-N 2 1 208.349 2.156 20 0 BEADMP CC(C)=CCC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903856535 584808816 /nfs/dbraw/zinc/80/88/16/584808816.db2.gz ABFUZHQDEOEACN-STQMWFEESA-N 2 1 208.349 2.156 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903856535 584808817 /nfs/dbraw/zinc/80/88/17/584808817.db2.gz ABFUZHQDEOEACN-STQMWFEESA-N 2 1 208.349 2.156 20 0 BEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CC1CCCCC1 ZINC000903855296 584809064 /nfs/dbraw/zinc/80/90/64/584809064.db2.gz NSCQBAJTEZPAMR-KGLIPLIRSA-N 2 1 222.376 2.380 20 0 BEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CC1CCCCC1 ZINC000903855296 584809065 /nfs/dbraw/zinc/80/90/65/584809065.db2.gz NSCQBAJTEZPAMR-KGLIPLIRSA-N 2 1 222.376 2.380 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@@H]3CC[C@@]32CN)c1 ZINC000903856179 584809558 /nfs/dbraw/zinc/80/95/58/584809558.db2.gz QUISHCJTVPNDBZ-LSDHHAIUSA-N 2 1 230.355 2.308 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@H]3CC[C@@]32CN)c1 ZINC000903856179 584809559 /nfs/dbraw/zinc/80/95/59/584809559.db2.gz QUISHCJTVPNDBZ-LSDHHAIUSA-N 2 1 230.355 2.308 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC000903856179 584809560 /nfs/dbraw/zinc/80/95/60/584809560.db2.gz QUISHCJTVPNDBZ-LSDHHAIUSA-N 2 1 230.355 2.308 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC000903856179 584809561 /nfs/dbraw/zinc/80/95/61/584809561.db2.gz QUISHCJTVPNDBZ-LSDHHAIUSA-N 2 1 230.355 2.308 20 0 BEADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000903858900 584811135 /nfs/dbraw/zinc/81/11/35/584811135.db2.gz KBRNKZVMNWOHKY-CBBWQLFWSA-N 2 1 234.387 2.236 20 0 BEADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000903858900 584811137 /nfs/dbraw/zinc/81/11/37/584811137.db2.gz KBRNKZVMNWOHKY-CBBWQLFWSA-N 2 1 234.387 2.236 20 0 BEADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCCc1ccccc1 ZINC000903858699 584811186 /nfs/dbraw/zinc/81/11/86/584811186.db2.gz YEHWTIPMXIFRJD-JKSUJKDBSA-N 2 1 244.382 2.432 20 0 BEADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCCc1ccccc1 ZINC000903858699 584811188 /nfs/dbraw/zinc/81/11/88/584811188.db2.gz YEHWTIPMXIFRJD-JKSUJKDBSA-N 2 1 244.382 2.432 20 0 BEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000903858902 584811243 /nfs/dbraw/zinc/81/12/43/584811243.db2.gz KBRNKZVMNWOHKY-KBXIAJHMSA-N 2 1 234.387 2.236 20 0 BEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000903858902 584811244 /nfs/dbraw/zinc/81/12/44/584811244.db2.gz KBRNKZVMNWOHKY-KBXIAJHMSA-N 2 1 234.387 2.236 20 0 BEADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCCC1CCC1 ZINC000903860325 584812124 /nfs/dbraw/zinc/81/21/24/584812124.db2.gz QTPIKXDUYMRZEM-UONOGXRCSA-N 2 1 222.376 2.380 20 0 BEADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCCC1CCC1 ZINC000903860325 584812125 /nfs/dbraw/zinc/81/21/25/584812125.db2.gz QTPIKXDUYMRZEM-UONOGXRCSA-N 2 1 222.376 2.380 20 0 BEADMP CC(C)=CCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869084 584813620 /nfs/dbraw/zinc/81/36/20/584813620.db2.gz BAKGQWUZPIHJAC-CYBMUJFWSA-N 2 1 208.349 2.171 20 0 BEADMP CC(C)=CCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869084 584813622 /nfs/dbraw/zinc/81/36/22/584813622.db2.gz BAKGQWUZPIHJAC-CYBMUJFWSA-N 2 1 208.349 2.171 20 0 BEADMP C(C[N@@H+]1CCC[C@]12CC[NH2+]C2)[C@@H]1C[C@H]1C1CC1 ZINC000903872169 584815360 /nfs/dbraw/zinc/81/53/60/584815360.db2.gz WVITWDAWSXCHJX-QLFBSQMISA-N 2 1 234.387 2.251 20 0 BEADMP C(C[N@H+]1CCC[C@]12CC[NH2+]C2)[C@@H]1C[C@H]1C1CC1 ZINC000903872169 584815362 /nfs/dbraw/zinc/81/53/62/584815362.db2.gz WVITWDAWSXCHJX-QLFBSQMISA-N 2 1 234.387 2.251 20 0 BEADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903922848 584823551 /nfs/dbraw/zinc/82/35/51/584823551.db2.gz GFLKKSBUFZCHMN-BBBLOLIVSA-N 2 1 220.307 2.137 20 0 BEADMP CCc1ccccc1C[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903923120 584823607 /nfs/dbraw/zinc/82/36/07/584823607.db2.gz LTWXHZFFSJUZFM-LBPRGKRZSA-N 2 1 242.313 2.321 20 0 BEADMP C[C@H]([NH2+]C[C@@H]([NH3+])CC(F)F)c1ccccc1 ZINC000903922787 584823735 /nfs/dbraw/zinc/82/37/35/584823735.db2.gz DXLGYXJBLYNIAI-ONGXEEELSA-N 2 1 228.286 2.320 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000903963730 584833395 /nfs/dbraw/zinc/83/33/95/584833395.db2.gz HIGWSMBZIAHWAX-TZMCWYRMSA-N 2 1 232.371 2.162 20 0 BEADMP Cc1ccccc1OCC[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904305356 584862084 /nfs/dbraw/zinc/86/20/84/584862084.db2.gz LROOXOGYMKFCCX-OKILXGFUSA-N 2 1 248.370 2.043 20 0 BEADMP Cc1ccc(OCC[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904305031 584862190 /nfs/dbraw/zinc/86/21/90/584862190.db2.gz BIFGKXYXSFHHFM-OKILXGFUSA-N 2 1 248.370 2.043 20 0 BEADMP CCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1CCCCO1 ZINC000904318550 584863851 /nfs/dbraw/zinc/86/38/51/584863851.db2.gz SAGBJALZAYLLCJ-HZSPNIEDSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904321321 584863959 /nfs/dbraw/zinc/86/39/59/584863959.db2.gz WKZXERGMKPHTTR-PEBLQZBPSA-N 2 1 222.376 2.377 20 0 BEADMP C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904321323 584864139 /nfs/dbraw/zinc/86/41/39/584864139.db2.gz WKZXERGMKPHTTR-XGFWRYKXSA-N 2 1 222.376 2.377 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](c3cccc(F)c3)C2)C1 ZINC000904316980 584864329 /nfs/dbraw/zinc/86/43/29/584864329.db2.gz BPACRROYEJHODE-CORIIIEPSA-N 2 1 248.345 2.352 20 0 BEADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000904322140 584864961 /nfs/dbraw/zinc/86/49/61/584864961.db2.gz PUTNLXFZMAXZTN-VNHYZAJKSA-N 2 1 245.370 2.264 20 0 BEADMP C[C@@H]1CC[C@@]2(CC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)C1 ZINC000904331726 584865892 /nfs/dbraw/zinc/86/58/92/584865892.db2.gz KQXHNBBUUYGZRD-YIYPIFLZSA-N 2 1 222.376 2.236 20 0 BEADMP C[C@H]1CC[C@]2(CC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)C1 ZINC000904331722 584865951 /nfs/dbraw/zinc/86/59/51/584865951.db2.gz KQXHNBBUUYGZRD-FQUUOJAGSA-N 2 1 222.376 2.236 20 0 BEADMP Cc1cc(F)ccc1C[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904342684 584867499 /nfs/dbraw/zinc/86/74/99/584867499.db2.gz NHLCQMNGRTYNID-VDISTLRHSA-N 2 1 236.334 2.303 20 0 BEADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H](N)CCC(C)(C)C ZINC000904354840 584870661 /nfs/dbraw/zinc/87/06/61/584870661.db2.gz JOXBXAPQGHUIRP-CHWSQXEVSA-N 2 1 243.439 2.247 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2Cc3ccc(Cl)cc3C2)C1 ZINC000904372151 584873385 /nfs/dbraw/zinc/87/33/85/584873385.db2.gz YNZXCAJDRDHZPP-SWZMTVOYSA-N 2 1 236.746 2.393 20 0 BEADMP C[C@H]1CC(C)(C)C[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000904372357 584873712 /nfs/dbraw/zinc/87/37/12/584873712.db2.gz CBIVBUCLUMQUHB-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)s1 ZINC000904412777 584879847 /nfs/dbraw/zinc/87/98/47/584879847.db2.gz XPOVGVRLOZEMHS-CMPLNLGQSA-N 2 1 238.400 2.473 20 0 BEADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc2c(c1)CCO2 ZINC000817960982 584992540 /nfs/dbraw/zinc/99/25/40/584992540.db2.gz VQTKIYPJBPCIFO-JTQLQIEISA-N 2 1 234.343 2.009 20 0 BEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H]2CCC=CO2)C1 ZINC000839181975 585096572 /nfs/dbraw/zinc/09/65/72/585096572.db2.gz KVZGWZUMVYZUQT-UONOGXRCSA-N 2 1 238.375 2.001 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000886839889 585182698 /nfs/dbraw/zinc/18/26/98/585182698.db2.gz NYVPVLDRPDJEGI-YXRJLALLSA-N 2 1 236.403 2.399 20 0 BEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000886839886 585182787 /nfs/dbraw/zinc/18/27/87/585182787.db2.gz NYVPVLDRPDJEGI-QFCKPIOYSA-N 2 1 236.403 2.399 20 0 BEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000886839888 585182811 /nfs/dbraw/zinc/18/28/11/585182811.db2.gz NYVPVLDRPDJEGI-VEESAYDSSA-N 2 1 236.403 2.399 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCC1CCC1 ZINC000759158241 585364591 /nfs/dbraw/zinc/36/45/91/585364591.db2.gz BZRXAILGICJTMH-UHFFFAOYSA-N 2 1 233.359 2.427 20 0 BEADMP CC[C@H](C[NH2+]C1CC(C(F)F)C1)[NH+]1CCCC1 ZINC000768677134 585541840 /nfs/dbraw/zinc/54/18/40/585541840.db2.gz UBBPCGPGGIKWJB-HTAVTVPLSA-N 2 1 246.345 2.494 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CC(C(F)F)C2)C1 ZINC000768691191 585541892 /nfs/dbraw/zinc/54/18/92/585541892.db2.gz ZWOLGCWKCSVUNX-VOMCLLRMSA-N 2 1 246.345 2.352 20 0 BEADMP CC[C@@H](C[NH2+]C1CC(C(F)F)C1)[NH+]1CCCC1 ZINC000768677135 585541911 /nfs/dbraw/zinc/54/19/11/585541911.db2.gz UBBPCGPGGIKWJB-MCIGGMRASA-N 2 1 246.345 2.494 20 0 BEADMP CC[N@H+]1CC[C@H](N(C)Cc2ccoc2)[C@@H](C)C1 ZINC000769483321 585558217 /nfs/dbraw/zinc/55/82/17/585558217.db2.gz HUDGFPBTWASJNK-JSGCOSHPSA-N 2 1 236.359 2.442 20 0 BEADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccoc2)[C@@H](C)C1 ZINC000769483319 585558254 /nfs/dbraw/zinc/55/82/54/585558254.db2.gz HUDGFPBTWASJNK-GXTWGEPZSA-N 2 1 236.359 2.442 20 0 BEADMP Cc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(C)o1 ZINC000776256636 585694044 /nfs/dbraw/zinc/69/40/44/585694044.db2.gz FIVGFKDODZIRSI-UHFFFAOYSA-N 2 1 234.343 2.248 20 0 BEADMP C[C@@H](CCO)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000779341418 585751905 /nfs/dbraw/zinc/75/19/05/585751905.db2.gz MLIORNHSTDKUFO-UONOGXRCSA-N 2 1 242.407 2.002 20 0 BEADMP C[C@H](C1CC1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000782184869 585810651 /nfs/dbraw/zinc/81/06/51/585810651.db2.gz GPJOHAPBEWCBOF-OCCSQVGLSA-N 2 1 236.403 2.449 20 0 BEADMP C[C@H](C1CC1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000782184869 585810652 /nfs/dbraw/zinc/81/06/52/585810652.db2.gz GPJOHAPBEWCBOF-OCCSQVGLSA-N 2 1 236.403 2.449 20 0 BEADMP C[C@@H]1[C@H](C)SCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000788480475 585925143 /nfs/dbraw/zinc/92/51/43/585925143.db2.gz KCPRQYVYALVYRU-NEPJUHHUSA-N 2 1 242.432 2.154 20 0 BEADMP CCC[N@H+](CC(F)F)CC1CC[NH+](C)CC1 ZINC000788476935 585925148 /nfs/dbraw/zinc/92/51/48/585925148.db2.gz UDBMCVPJGRPVGR-UHFFFAOYSA-N 2 1 234.334 2.305 20 0 BEADMP CCC[N@@H+](CC(F)F)CC1CC[NH+](C)CC1 ZINC000788476935 585925149 /nfs/dbraw/zinc/92/51/49/585925149.db2.gz UDBMCVPJGRPVGR-UHFFFAOYSA-N 2 1 234.334 2.305 20 0 BEADMP CC[C@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000788471702 585925268 /nfs/dbraw/zinc/92/52/68/585925268.db2.gz YBLXCRTWAFKZEW-ZDUSSCGKSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000788471714 585925369 /nfs/dbraw/zinc/92/53/69/585925369.db2.gz YVABGPKDJVUHNZ-BETUJISGSA-N 2 1 224.392 2.306 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)CC1 ZINC000788487236 585925536 /nfs/dbraw/zinc/92/55/36/585925536.db2.gz FKULEZBWKNMJKI-OAHLLOKOSA-N 2 1 247.386 2.493 20 0 BEADMP CC[N@H+](CC[NH2+][C@@H]1CCC[C@H](OC)C1)C(C)C ZINC000792950031 586007561 /nfs/dbraw/zinc/00/75/61/586007561.db2.gz GJPFXTUFHAHHTM-KGLIPLIRSA-N 2 1 242.407 2.264 20 0 BEADMP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@H](OC)C1)C(C)C ZINC000792950031 586007562 /nfs/dbraw/zinc/00/75/62/586007562.db2.gz GJPFXTUFHAHHTM-KGLIPLIRSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@H]1C[C@@H]1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798956979 586154602 /nfs/dbraw/zinc/15/46/02/586154602.db2.gz SECRWKPFDCMKQF-UONOGXRCSA-N 2 1 236.403 2.450 20 0 BEADMP CC[C@H]([NH2+]CC[NH3+])c1ccc2c(c1)CCCO2 ZINC000817934495 586843423 /nfs/dbraw/zinc/84/34/23/586843423.db2.gz JTXIQBWJLVOWNC-ZDUSSCGKSA-N 2 1 234.343 2.011 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000817954233 586849368 /nfs/dbraw/zinc/84/93/68/586849368.db2.gz XNKRMWROYARVIZ-YNEHKIRRSA-N 2 1 210.365 2.154 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000817957688 586850482 /nfs/dbraw/zinc/85/04/82/586850482.db2.gz DQSDVSNENXZTRS-BXUZGUMPSA-N 2 1 248.370 2.255 20 0 BEADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc2c(c1)CCO2 ZINC000817964736 586853928 /nfs/dbraw/zinc/85/39/28/586853928.db2.gz GOFXKQKMMCDLGY-HZMBPMFUSA-N 2 1 246.354 2.009 20 0 BEADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]([NH3+])C1CC1 ZINC000817964493 586854260 /nfs/dbraw/zinc/85/42/60/586854260.db2.gz ANFFFPLARWZGJU-GJZGRUSLSA-N 2 1 230.355 2.309 20 0 BEADMP CC[C@H]([NH2+][C@H](C)C[NH3+])c1ccc2c(c1)CCO2 ZINC000817966417 586854681 /nfs/dbraw/zinc/85/46/81/586854681.db2.gz NHSUPATXDLUPCP-MFKMUULPSA-N 2 1 234.343 2.009 20 0 BEADMP CC[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc2c(c1)CCO2 ZINC000817971679 586859223 /nfs/dbraw/zinc/85/92/23/586859223.db2.gz OXUCHWOQCHALGT-GXFFZTMASA-N 2 1 234.343 2.009 20 0 BEADMP Cc1cc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)no1 ZINC000823578917 587232165 /nfs/dbraw/zinc/23/21/65/587232165.db2.gz KHWQFGVFCKDOHO-AWEZNQCLSA-N 2 1 249.358 2.120 20 0 BEADMP CC(C)[C@@H]1C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000834894308 587769590 /nfs/dbraw/zinc/76/95/90/587769590.db2.gz SGXDKJXCBKTCGP-MNFFZHCASA-N 2 1 236.403 2.493 20 0 BEADMP COc1c(C)cc(C[NH2+]CC2([NH3+])CCC2)cc1C ZINC000841052495 587939681 /nfs/dbraw/zinc/93/96/81/587939681.db2.gz ZFJWTPVDOIOKPA-UHFFFAOYSA-N 2 1 248.370 2.283 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccnc2Cl)C1 ZINC000841055776 587940731 /nfs/dbraw/zinc/94/07/31/587940731.db2.gz WFQFCFJEDYPUBY-GHMZBOCLSA-N 2 1 239.750 2.095 20 0 BEADMP C[C@@H](C[NH3+])[NH2+]Cc1ccc(C(F)F)cc1 ZINC000841067468 587943239 /nfs/dbraw/zinc/94/32/39/587943239.db2.gz ZKDJGTQHKAZODT-QMMMGPOBSA-N 2 1 214.259 2.061 20 0 BEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cnc2ccccc2c1 ZINC000841076639 587943651 /nfs/dbraw/zinc/94/36/51/587943651.db2.gz KOUZTPWDRASTHO-GHMZBOCLSA-N 2 1 229.327 2.060 20 0 BEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc2c(c1)COC2 ZINC000841088162 587945774 /nfs/dbraw/zinc/94/57/74/587945774.db2.gz ZFBVHNVYWBQPMN-CQSZACIVSA-N 2 1 248.370 2.180 20 0 BEADMP C[C@H](C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)C(C)(C)C ZINC000841105340 587946832 /nfs/dbraw/zinc/94/68/32/587946832.db2.gz KIRODYTYJBEPPE-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCc1cccs1 ZINC000842476761 588030062 /nfs/dbraw/zinc/03/00/62/588030062.db2.gz VBQKHRJCUZGDRA-NQBHXWOUSA-N 2 1 238.400 2.267 20 0 BEADMP C[C@H](N)[C@@H]1CCCC[N@H+]1CCCCCCC[NH3+] ZINC000843347948 588102559 /nfs/dbraw/zinc/10/25/59/588102559.db2.gz YXEAJFDMSLKFBW-KBPBESRZSA-N 2 1 241.423 2.097 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCCCN1CCCCCCC[NH3+] ZINC000843347948 588102560 /nfs/dbraw/zinc/10/25/60/588102560.db2.gz YXEAJFDMSLKFBW-KBPBESRZSA-N 2 1 241.423 2.097 20 0 BEADMP C[C@H](N)[C@H]1CCCC[N@H+]1CCCCCCC[NH3+] ZINC000843347951 588102687 /nfs/dbraw/zinc/10/26/87/588102687.db2.gz YXEAJFDMSLKFBW-UONOGXRCSA-N 2 1 241.423 2.097 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCCCN1CCCCCCC[NH3+] ZINC000843347951 588102689 /nfs/dbraw/zinc/10/26/89/588102689.db2.gz YXEAJFDMSLKFBW-UONOGXRCSA-N 2 1 241.423 2.097 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CCOCC2(CCC2)C1 ZINC000846224534 588261713 /nfs/dbraw/zinc/26/17/13/588261713.db2.gz ZMZPMGLPXXTHID-UHFFFAOYSA-N 2 1 240.391 2.008 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2ccc(Cl)nc2)CCCC1 ZINC000849350484 588474922 /nfs/dbraw/zinc/47/49/22/588474922.db2.gz YVIWVWZKDFOIJB-UHFFFAOYSA-N 2 1 239.750 2.096 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C=CCC2)[C@H]2CCC[C@H]21 ZINC000850506205 588552859 /nfs/dbraw/zinc/55/28/59/588552859.db2.gz CLCOFTAKLSGUJG-YIYPIFLZSA-N 2 1 220.360 2.167 20 0 BEADMP C[N@@H+](Cc1cc(C2CC2)no1)C1CCC([NH3+])CC1 ZINC000852741309 588698424 /nfs/dbraw/zinc/69/84/24/588698424.db2.gz QGFHERVPSCQRFF-UHFFFAOYSA-N 2 1 249.358 2.254 20 0 BEADMP C1=CCC(C[N@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000852746844 588698748 /nfs/dbraw/zinc/69/87/48/588698748.db2.gz RNNIOZOCFFSRGK-UHFFFAOYSA-N 2 1 220.360 2.028 20 0 BEADMP CC[C@@H](CC(F)F)C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000852751153 588698870 /nfs/dbraw/zinc/69/88/70/588698870.db2.gz QZBHNRBJNHUDOG-WCQYABFASA-N 2 1 246.345 2.496 20 0 BEADMP CC[C@@H](CC(F)F)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000852751153 588698871 /nfs/dbraw/zinc/69/88/71/588698871.db2.gz QZBHNRBJNHUDOG-WCQYABFASA-N 2 1 246.345 2.496 20 0 BEADMP CC(C)=CCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000852746703 588698896 /nfs/dbraw/zinc/69/88/96/588698896.db2.gz PHKHHPKTXAVASG-UHFFFAOYSA-N 2 1 222.376 2.418 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852751154 588699008 /nfs/dbraw/zinc/69/90/08/588699008.db2.gz QZBHNRBJNHUDOG-YPMHNXCESA-N 2 1 246.345 2.496 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852751154 588699009 /nfs/dbraw/zinc/69/90/09/588699009.db2.gz QZBHNRBJNHUDOG-YPMHNXCESA-N 2 1 246.345 2.496 20 0 BEADMP CC(C)=CCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000852750680 588699193 /nfs/dbraw/zinc/69/91/93/588699193.db2.gz CAYQPWCWOPZLJQ-CYBMUJFWSA-N 2 1 208.349 2.171 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000852750680 588699194 /nfs/dbraw/zinc/69/91/94/588699194.db2.gz CAYQPWCWOPZLJQ-CYBMUJFWSA-N 2 1 208.349 2.171 20 0 BEADMP C[C@@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C1CC(F)(F)C1 ZINC000862271960 589198112 /nfs/dbraw/zinc/19/81/12/589198112.db2.gz GKUMHMCBKZFXLS-SKDRFNHKSA-N 2 1 246.345 2.350 20 0 BEADMP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000863547679 589298582 /nfs/dbraw/zinc/29/85/82/589298582.db2.gz UYSSBAYJONYPFM-OUAUKWLOSA-N 2 1 230.421 2.247 20 0 BEADMP CCc1cc(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc[nH+]1 ZINC000866206198 589480251 /nfs/dbraw/zinc/48/02/51/589480251.db2.gz BYVAPYLYPSMFKE-WFASDCNBSA-N 2 1 245.370 2.174 20 0 BEADMP CCC[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866583365 589501902 /nfs/dbraw/zinc/50/19/02/589501902.db2.gz KFYMCSRHPGKGIP-RWMBFGLXSA-N 2 1 210.365 2.201 20 0 BEADMP CCC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866583365 589501903 /nfs/dbraw/zinc/50/19/03/589501903.db2.gz KFYMCSRHPGKGIP-RWMBFGLXSA-N 2 1 210.365 2.201 20 0 BEADMP CCC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866583365 589501904 /nfs/dbraw/zinc/50/19/04/589501904.db2.gz KFYMCSRHPGKGIP-RWMBFGLXSA-N 2 1 210.365 2.201 20 0 BEADMP CCC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866583365 589501905 /nfs/dbraw/zinc/50/19/05/589501905.db2.gz KFYMCSRHPGKGIP-RWMBFGLXSA-N 2 1 210.365 2.201 20 0 BEADMP CC(C)C[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866585149 589502039 /nfs/dbraw/zinc/50/20/39/589502039.db2.gz UMEMHDSUFDSGAE-IHRRRGAJSA-N 2 1 224.392 2.447 20 0 BEADMP CC(C)C[C@H](C)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866585149 589502041 /nfs/dbraw/zinc/50/20/41/589502041.db2.gz UMEMHDSUFDSGAE-IHRRRGAJSA-N 2 1 224.392 2.447 20 0 BEADMP CC(C)C[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866585149 589502042 /nfs/dbraw/zinc/50/20/42/589502042.db2.gz UMEMHDSUFDSGAE-IHRRRGAJSA-N 2 1 224.392 2.447 20 0 BEADMP CC(C)C[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866585149 589502043 /nfs/dbraw/zinc/50/20/43/589502043.db2.gz UMEMHDSUFDSGAE-IHRRRGAJSA-N 2 1 224.392 2.447 20 0 BEADMP C[N@@H+](Cc1coc(C2CC2)n1)C1CCC([NH3+])CC1 ZINC000866660933 589508224 /nfs/dbraw/zinc/50/82/24/589508224.db2.gz IXICCLFJBIJNNW-UHFFFAOYSA-N 2 1 249.358 2.254 20 0 BEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000866665320 589509564 /nfs/dbraw/zinc/50/95/64/589509564.db2.gz BFYFCVDJUCDWQM-VXGBXAGGSA-N 2 1 242.407 2.155 20 0 BEADMP FC1(F)CC[C@@H](C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000866665273 589509722 /nfs/dbraw/zinc/50/97/22/589509722.db2.gz AXTHTEVHFDVYIZ-VXGBXAGGSA-N 2 1 244.329 2.250 20 0 BEADMP FC1(F)CC[C@@H](C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000866665273 589509724 /nfs/dbraw/zinc/50/97/24/589509724.db2.gz AXTHTEVHFDVYIZ-VXGBXAGGSA-N 2 1 244.329 2.250 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCCC1CC1 ZINC000866665634 589509833 /nfs/dbraw/zinc/50/98/33/589509833.db2.gz FVEUYONXFUYWKM-WZRBSPASSA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC2CCC2)C1 ZINC000866703583 589513584 /nfs/dbraw/zinc/51/35/84/589513584.db2.gz KBROADZITSRMRS-CQSZACIVSA-N 2 1 224.392 2.483 20 0 BEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccncc2)C1 ZINC000866706413 589514428 /nfs/dbraw/zinc/51/44/28/589514428.db2.gz HZTMUZXNUSBNLU-HNNXBMFYSA-N 2 1 247.386 2.279 20 0 BEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CCCF)C1 ZINC000866709703 589514592 /nfs/dbraw/zinc/51/45/92/589514592.db2.gz ZBNGTQHCPVPSNY-GFCCVEGCSA-N 2 1 216.344 2.043 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000866704865 589514669 /nfs/dbraw/zinc/51/46/69/589514669.db2.gz ZAFAXPRKSYZRKG-CHWSQXEVSA-N 2 1 242.432 2.190 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866706705 589514793 /nfs/dbraw/zinc/51/47/93/589514793.db2.gz CBRCWGPTCHANEN-YRGRVCCFSA-N 2 1 224.392 2.339 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)SC)[C@H](C)C1 ZINC000122160114 589557494 /nfs/dbraw/zinc/55/74/94/589557494.db2.gz GREXUTXZCBMEMX-NEPJUHHUSA-N 2 1 244.448 2.448 20 0 BEADMP CC[C@@H]1C[N@@H+](CCc2cccs2)CC[C@@H]1[NH3+] ZINC000122882848 589642605 /nfs/dbraw/zinc/64/26/05/589642605.db2.gz BYLXOVIVYIJYOQ-YPMHNXCESA-N 2 1 238.400 2.350 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])CCCc1ccncc1 ZINC000872155333 589885941 /nfs/dbraw/zinc/88/59/41/589885941.db2.gz IVSIBKWKEXPQHA-UHFFFAOYSA-N 2 1 249.402 2.465 20 0 BEADMP CC[N@H+]1CCN(c2cc[nH+]cc2C2CC2)C[C@H]1C ZINC000872492131 589944479 /nfs/dbraw/zinc/94/44/79/589944479.db2.gz CLHTUCODGWBRLZ-GFCCVEGCSA-N 2 1 245.370 2.489 20 0 BEADMP Cc1cc(N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc[nH+]1 ZINC000872780119 589969806 /nfs/dbraw/zinc/96/98/06/589969806.db2.gz JQLNXHOTOOJGPE-UONOGXRCSA-N 2 1 231.343 2.063 20 0 BEADMP Cc1cc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc[nH+]1 ZINC000872780117 589970149 /nfs/dbraw/zinc/97/01/49/589970149.db2.gz JQLNXHOTOOJGPE-KBPBESRZSA-N 2 1 231.343 2.063 20 0 BEADMP CC[N@H+](Cc1ccccc1)CC(C)(C)[NH3+] ZINC000019685444 589970788 /nfs/dbraw/zinc/97/07/88/589970788.db2.gz UWWOBIBZCLFRBE-UHFFFAOYSA-N 2 1 206.333 2.246 20 0 BEADMP CC[N@@H+](Cc1ccccc1)CC(C)(C)[NH3+] ZINC000019685444 589970792 /nfs/dbraw/zinc/97/07/92/589970792.db2.gz UWWOBIBZCLFRBE-UHFFFAOYSA-N 2 1 206.333 2.246 20 0 BEADMP CC1(C)CC[C@H](C[NH2+]C2CCSCC2)[NH2+]C1 ZINC000873235871 590004120 /nfs/dbraw/zinc/00/41/20/590004120.db2.gz TVCPVLDRKMYTFY-GFCCVEGCSA-N 2 1 242.432 2.250 20 0 BEADMP COC[C@@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)C(C)C ZINC000873234208 590004141 /nfs/dbraw/zinc/00/41/41/590004141.db2.gz DIYJRHMECVLBDF-QWHCGFSZSA-N 2 1 242.407 2.025 20 0 BEADMP Cc1ccc(OCC[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000124596097 590061513 /nfs/dbraw/zinc/06/15/13/590061513.db2.gz MPGOWJJYQHADGT-UONOGXRCSA-N 2 1 248.370 2.185 20 0 BEADMP CC[N@H+](CC[NH2+]CC1CCSCC1)C(C)C ZINC000876996383 590264730 /nfs/dbraw/zinc/26/47/30/590264730.db2.gz SBBLJVDRZLJTLZ-UHFFFAOYSA-N 2 1 244.448 2.450 20 0 BEADMP CC[N@@H+](CC[NH2+]CC1CCSCC1)C(C)C ZINC000876996383 590264731 /nfs/dbraw/zinc/26/47/31/590264731.db2.gz SBBLJVDRZLJTLZ-UHFFFAOYSA-N 2 1 244.448 2.450 20 0 BEADMP CCC[C@H](C)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877738215 590405250 /nfs/dbraw/zinc/40/52/50/590405250.db2.gz APNSKCTVGOEVJM-BFHYXJOUSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877738215 590405251 /nfs/dbraw/zinc/40/52/51/590405251.db2.gz APNSKCTVGOEVJM-BFHYXJOUSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877738215 590405253 /nfs/dbraw/zinc/40/52/53/590405253.db2.gz APNSKCTVGOEVJM-BFHYXJOUSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877738215 590405255 /nfs/dbraw/zinc/40/52/55/590405255.db2.gz APNSKCTVGOEVJM-BFHYXJOUSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877740161 590406114 /nfs/dbraw/zinc/40/61/14/590406114.db2.gz IUCZJLMTGKADSU-CHWSQXEVSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877740161 590406115 /nfs/dbraw/zinc/40/61/15/590406115.db2.gz IUCZJLMTGKADSU-CHWSQXEVSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877740161 590406117 /nfs/dbraw/zinc/40/61/17/590406117.db2.gz IUCZJLMTGKADSU-CHWSQXEVSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)C1(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000877738846 590406703 /nfs/dbraw/zinc/40/67/03/590406703.db2.gz MOAAABAGEOMOJB-UONOGXRCSA-N 2 1 236.403 2.449 20 0 BEADMP CC(C)C1(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)CC1 ZINC000877738846 590406698 /nfs/dbraw/zinc/40/66/98/590406698.db2.gz MOAAABAGEOMOJB-UONOGXRCSA-N 2 1 236.403 2.449 20 0 BEADMP CC(C)C1(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000877738846 590406700 /nfs/dbraw/zinc/40/67/00/590406700.db2.gz MOAAABAGEOMOJB-UONOGXRCSA-N 2 1 236.403 2.449 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877743348 590412241 /nfs/dbraw/zinc/41/22/41/590412241.db2.gz KANVOGWPARNDAI-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP CCC(CC)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877743348 590412242 /nfs/dbraw/zinc/41/22/42/590412242.db2.gz KANVOGWPARNDAI-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877743348 590412240 /nfs/dbraw/zinc/41/22/40/590412240.db2.gz KANVOGWPARNDAI-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP CCC(CC)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877743348 590412243 /nfs/dbraw/zinc/41/22/43/590412243.db2.gz KANVOGWPARNDAI-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCC2CC2)C1 ZINC000878104827 590495160 /nfs/dbraw/zinc/49/51/60/590495160.db2.gz QHXMKYABYXUKHE-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP C=C/C=C/CC[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000878167687 590513835 /nfs/dbraw/zinc/51/38/35/590513835.db2.gz XTAQYJGBDQPQLC-PSKZRQQASA-N 2 1 222.376 2.392 20 0 BEADMP C=C/C=C/CC[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000878167687 590513838 /nfs/dbraw/zinc/51/38/38/590513838.db2.gz XTAQYJGBDQPQLC-PSKZRQQASA-N 2 1 222.376 2.392 20 0 BEADMP C=C/C=C/CC[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000878167687 590513841 /nfs/dbraw/zinc/51/38/41/590513841.db2.gz XTAQYJGBDQPQLC-PSKZRQQASA-N 2 1 222.376 2.392 20 0 BEADMP CCC[N@H+](C)CC(C)(C)[NH2+]CC[C@@H](O)C(C)C ZINC000878995767 590672678 /nfs/dbraw/zinc/67/26/78/590672678.db2.gz WJJIHYGHTPNOOC-CYBMUJFWSA-N 2 1 244.423 2.103 20 0 BEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CC[C@@H](O)C(C)C ZINC000878995767 590672680 /nfs/dbraw/zinc/67/26/80/590672680.db2.gz WJJIHYGHTPNOOC-CYBMUJFWSA-N 2 1 244.423 2.103 20 0 BEADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000878995026 590673243 /nfs/dbraw/zinc/67/32/43/590673243.db2.gz IGRWBXCZOGHLJB-BETUJISGSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000878995026 590673245 /nfs/dbraw/zinc/67/32/45/590673245.db2.gz IGRWBXCZOGHLJB-BETUJISGSA-N 2 1 242.407 2.121 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1C[C@H](OC)CC[C@@H]1C ZINC000879326838 590747593 /nfs/dbraw/zinc/74/75/93/590747593.db2.gz TZABLFFIELICBA-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP C[N@@H+]1CC[C@H]2C[NH+](CCC3CCC3)CC[C@@H]21 ZINC000879580083 590818703 /nfs/dbraw/zinc/81/87/03/590818703.db2.gz RETARBYKRJESBU-KBPBESRZSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@H+]1CC[C@H]2C[NH+](CCC3CCC3)CC[C@@H]21 ZINC000879580083 590818705 /nfs/dbraw/zinc/81/87/05/590818705.db2.gz RETARBYKRJESBU-KBPBESRZSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](CCC3CCC3)CC[C@@H]21 ZINC000879580083 590818707 /nfs/dbraw/zinc/81/87/07/590818707.db2.gz RETARBYKRJESBU-KBPBESRZSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](CCC3CCC3)CC[C@@H]21 ZINC000879580083 590818710 /nfs/dbraw/zinc/81/87/10/590818710.db2.gz RETARBYKRJESBU-KBPBESRZSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@@H+]1CC[C@H]2C[NH+](CCCCCF)CC[C@H]21 ZINC000879583356 590822015 /nfs/dbraw/zinc/82/20/15/590822015.db2.gz YBCLOSIKXRTLSP-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP C[N@H+]1CC[C@H]2C[NH+](CCCCCF)CC[C@H]21 ZINC000879583356 590822016 /nfs/dbraw/zinc/82/20/16/590822016.db2.gz YBCLOSIKXRTLSP-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](CCCCCF)CC[C@H]21 ZINC000879583356 590822019 /nfs/dbraw/zinc/82/20/19/590822019.db2.gz YBCLOSIKXRTLSP-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](CCCCCF)CC[C@H]21 ZINC000879583356 590822023 /nfs/dbraw/zinc/82/20/23/590822023.db2.gz YBCLOSIKXRTLSP-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(F)CC1 ZINC000880240206 590974145 /nfs/dbraw/zinc/97/41/45/590974145.db2.gz PNRGXAHJAKMHBS-UHFFFAOYSA-N 2 1 239.338 2.406 20 0 BEADMP CCc1ccc(NCc2cncn2CC)[nH+]c1 ZINC000883383777 591638911 /nfs/dbraw/zinc/63/89/11/591638911.db2.gz GJWDQZUTYSKLKG-UHFFFAOYSA-N 2 1 230.315 2.473 20 0 BEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC2(F)F)CC[C@@H]1[NH3+] ZINC000883417810 591653830 /nfs/dbraw/zinc/65/38/30/591653830.db2.gz NSFKDSANWZQVLX-WOPDTQHZSA-N 2 1 246.345 2.481 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ncco1 ZINC000886537206 592251055 /nfs/dbraw/zinc/25/10/55/592251055.db2.gz WIKXCDVLCULCOF-GHMZBOCLSA-N 2 1 248.330 2.166 20 0 BEADMP C[C@@H]1CC[N@@H+](CCC[NH3+])[C@H]1c1ccccc1 ZINC000886857793 592369209 /nfs/dbraw/zinc/36/92/09/592369209.db2.gz ADBFLKNMYIMBQP-TZMCWYRMSA-N 2 1 218.344 2.418 20 0 BEADMP CCCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130847 592449010 /nfs/dbraw/zinc/44/90/10/592449010.db2.gz LRPCIFLAXJDBNT-CYBMUJFWSA-N 2 1 233.359 2.392 20 0 BEADMP Cc1noc(C)c1[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000925707323 634393746 /nfs/dbraw/zinc/39/37/46/634393746.db2.gz PEEQTFKTQFMLER-JTQLQIEISA-N 2 1 249.358 2.204 20 0 BEADMP C[C@H]1Cc2cc(C[NH2+]CCC[NH+](C)C)ccc2O1 ZINC000124208794 634400379 /nfs/dbraw/zinc/40/03/79/634400379.db2.gz URARFUMXULIXNR-LBPRGKRZSA-N 2 1 248.370 2.051 20 0 BEADMP CC[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCS1 ZINC000253056078 634469806 /nfs/dbraw/zinc/46/98/06/634469806.db2.gz AOSMSEJPAJJCTA-OLZOCXBDSA-N 2 1 242.432 2.204 20 0 BEADMP CC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925733273 634580864 /nfs/dbraw/zinc/58/08/64/634580864.db2.gz JGJCYCCIGVCCTI-SECBINFHSA-N 2 1 234.334 2.398 20 0 BEADMP CC(F)(F)C(C)(C)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925733274 634580578 /nfs/dbraw/zinc/58/05/78/634580578.db2.gz JGJCYCCIGVCCTI-VIFPVBQESA-N 2 1 234.334 2.398 20 0 BEADMP CC1(C)C[N@@H+](CCCCCCC[NH3+])CCO1 ZINC000036232714 635555984 /nfs/dbraw/zinc/55/59/84/635555984.db2.gz CEVUVOVAKALPID-UHFFFAOYSA-N 2 1 228.380 2.006 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCCc2cccnc21)[C@H]1CC[NH2+]C1 ZINC000925872163 635586373 /nfs/dbraw/zinc/58/63/73/635586373.db2.gz QGAKDFUDTPMDPK-KWCYVHTRSA-N 2 1 245.370 2.047 20 0 BEADMP C[N@@H+](Cc1ccc(F)cc1)CC(C)(C)C[NH3+] ZINC000051286127 631432138 /nfs/dbraw/zinc/43/21/38/631432138.db2.gz WFDZOCTZSZUYAM-UHFFFAOYSA-N 2 1 224.323 2.242 20 0 BEADMP C[N@H+]1C[C@@H]2C[NH+](CCCC3CCC3)C[C@]2(C)C1 ZINC000933733215 631494350 /nfs/dbraw/zinc/49/43/50/631494350.db2.gz GNMFZKZIDONQFB-CABCVRRESA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+](CCCC3CCC3)C[C@]2(C)C1 ZINC000933733215 631494355 /nfs/dbraw/zinc/49/43/55/631494355.db2.gz GNMFZKZIDONQFB-CABCVRRESA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](CCCC3CCC3)C[C@]2(C)C1 ZINC000933733215 631494360 /nfs/dbraw/zinc/49/43/60/631494360.db2.gz GNMFZKZIDONQFB-CABCVRRESA-N 2 1 236.403 2.450 20 0 BEADMP C[N@@H+](CCC1CC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000308810328 631528442 /nfs/dbraw/zinc/52/84/42/631528442.db2.gz CCVVCUSVWSKDJS-ZDUSSCGKSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000308799395 631645083 /nfs/dbraw/zinc/64/50/83/631645083.db2.gz KJMGOCHIEQQXGH-YVECIDJPSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000308799395 631645085 /nfs/dbraw/zinc/64/50/85/631645085.db2.gz KJMGOCHIEQQXGH-YVECIDJPSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@H]1CC[C@H]1[NH2+]CC[N@H+](C)C1CCCC1 ZINC000308805626 631667293 /nfs/dbraw/zinc/66/72/93/631667293.db2.gz MGJKAPLTMDZSAS-WCQYABFASA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1CC[C@H]1[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000308805626 631667296 /nfs/dbraw/zinc/66/72/96/631667296.db2.gz MGJKAPLTMDZSAS-WCQYABFASA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1CSCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000934303796 631771882 /nfs/dbraw/zinc/77/18/82/631771882.db2.gz MGBJBYKEYXTDQY-QWHCGFSZSA-N 2 1 242.432 2.298 20 0 BEADMP [NH3+][C@@H](CC(F)F)C[NH+]1CCCCCCC1 ZINC000309033011 631806641 /nfs/dbraw/zinc/80/66/41/631806641.db2.gz CVRLXRDOSKJQHC-JTQLQIEISA-N 2 1 220.307 2.235 20 0 BEADMP CC[C@H](c1ccccc1)[N@H+](C)C[C@@H](C)[NH3+] ZINC000309029869 631804236 /nfs/dbraw/zinc/80/42/36/631804236.db2.gz ASPUYPXYSGMAFD-DGCLKSJQSA-N 2 1 206.333 2.417 20 0 BEADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@@H](C)[NH3+] ZINC000309029869 631804239 /nfs/dbraw/zinc/80/42/39/631804239.db2.gz ASPUYPXYSGMAFD-DGCLKSJQSA-N 2 1 206.333 2.417 20 0 BEADMP C[C@H]1CCC[N@@H+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000309039018 631807617 /nfs/dbraw/zinc/80/76/17/631807617.db2.gz IJUGDXMJFKIFAQ-VHSXEESVSA-N 2 1 220.307 2.091 20 0 BEADMP CC[N@H+](CC[NH2+]CC1(C)CCC1)C(C)C ZINC000309027703 631809947 /nfs/dbraw/zinc/80/99/47/631809947.db2.gz BSYYJNFUWZRPFY-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP CC[N@@H+](CC[NH2+]CC1(C)CCC1)C(C)C ZINC000309027703 631809951 /nfs/dbraw/zinc/80/99/51/631809951.db2.gz BSYYJNFUWZRPFY-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+]C1CC(C(F)F)C1 ZINC000309352588 632010401 /nfs/dbraw/zinc/01/04/01/632010401.db2.gz NFPUKFZPFKUWPH-UHFFFAOYSA-N 2 1 234.334 2.350 20 0 BEADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(C)C ZINC000051918976 632013140 /nfs/dbraw/zinc/01/31/40/632013140.db2.gz LAXQYNPOHZWJJC-CYBMUJFWSA-N 2 1 212.381 2.354 20 0 BEADMP C[C@@H]1C[C@H](C[N@@H+](C)C2CCCC2)CC[NH2+]1 ZINC000235364332 632028638 /nfs/dbraw/zinc/02/86/38/632028638.db2.gz YVVAQYMKIRUPRE-VXGBXAGGSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCC2CCC2)CC[N@H+]1C ZINC000161867829 632439888 /nfs/dbraw/zinc/43/98/88/632439888.db2.gz NPOZMAIEMDPEAV-YPMHNXCESA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000157967006 632454714 /nfs/dbraw/zinc/45/47/14/632454714.db2.gz SAQMVCPTEJXAAY-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000219751178 632561486 /nfs/dbraw/zinc/56/14/86/632561486.db2.gz STIHNLVQLMFBQI-MJBXVCDLSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1C[C@H](C[N@@H+](C)CC2CCCC2)CC[NH2+]1 ZINC000235364728 632678387 /nfs/dbraw/zinc/67/83/87/632678387.db2.gz XGJOYLGVOMIHRI-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCc1cccc(F)c1 ZINC000310132272 632702804 /nfs/dbraw/zinc/70/28/04/632702804.db2.gz ZHCMKCOXDKUXFW-AWEZNQCLSA-N 2 1 238.350 2.331 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccccc1 ZINC000924543594 632795403 /nfs/dbraw/zinc/79/54/03/632795403.db2.gz UDAQWDVNQRLRCM-YIONKMFJSA-N 2 1 230.355 2.116 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2CC(C(F)F)C2)CC[N@@H+]1C ZINC000309370509 632984982 /nfs/dbraw/zinc/98/49/82/632984982.db2.gz BYOSGIOYEMXNMO-BZCXBAJXSA-N 2 1 232.318 2.102 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2CC(C(F)F)C2)CC[N@H+]1C ZINC000309370509 632984990 /nfs/dbraw/zinc/98/49/90/632984990.db2.gz BYOSGIOYEMXNMO-BZCXBAJXSA-N 2 1 232.318 2.102 20 0 BEADMP CC[C@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000228740337 633904398 /nfs/dbraw/zinc/90/43/98/633904398.db2.gz OCQSRSRIODELDZ-STQMWFEESA-N 2 1 210.365 2.108 20 0 BEADMP C[C@H](C1CC1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000930575998 633906493 /nfs/dbraw/zinc/90/64/93/633906493.db2.gz AVXSLDMLKSYHIE-OCCSQVGLSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H](C1CC1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000930575998 633906494 /nfs/dbraw/zinc/90/64/94/633906494.db2.gz AVXSLDMLKSYHIE-OCCSQVGLSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H](C1CC1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000930575998 633906496 /nfs/dbraw/zinc/90/64/96/633906496.db2.gz AVXSLDMLKSYHIE-OCCSQVGLSA-N 2 1 222.376 2.203 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000930578245 633906517 /nfs/dbraw/zinc/90/65/17/633906517.db2.gz RIZHGHPTWINCNL-ILXRZTDVSA-N 2 1 236.403 2.450 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000930578245 633906521 /nfs/dbraw/zinc/90/65/21/633906521.db2.gz RIZHGHPTWINCNL-ILXRZTDVSA-N 2 1 236.403 2.450 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000930578245 633906524 /nfs/dbraw/zinc/90/65/24/633906524.db2.gz RIZHGHPTWINCNL-ILXRZTDVSA-N 2 1 236.403 2.450 20 0 BEADMP CC1(C)CCC[N@H+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000309395039 633907306 /nfs/dbraw/zinc/90/73/06/633907306.db2.gz GETUMXLJSRPOAD-JTQLQIEISA-N 2 1 234.334 2.481 20 0 BEADMP CC1(C)CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000309395039 633907310 /nfs/dbraw/zinc/90/73/10/633907310.db2.gz GETUMXLJSRPOAD-JTQLQIEISA-N 2 1 234.334 2.481 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2[C@H](C)CC[C@@H]2C)CC1 ZINC000309666775 633986285 /nfs/dbraw/zinc/98/62/85/633986285.db2.gz ULUGZAPGTFDNOY-IMRBUKKESA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925607831 634138852 /nfs/dbraw/zinc/13/88/52/634138852.db2.gz DNGRQXQRDVYSGT-BXUZGUMPSA-N 2 1 248.370 2.053 20 0 BEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000925619063 634172421 /nfs/dbraw/zinc/17/24/21/634172421.db2.gz KQQQAXMLZMHMMH-ZJUUUORDSA-N 2 1 232.318 2.294 20 0 BEADMP Cc1cccc(CCC[NH2+][C@@H]2CCC[NH2+][C@H]2C)n1 ZINC000925665273 634241112 /nfs/dbraw/zinc/24/11/12/634241112.db2.gz KUKIZIWKIFTIAS-DZGCQCFKSA-N 2 1 247.386 2.053 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000925679315 634277228 /nfs/dbraw/zinc/27/72/28/634277228.db2.gz IURNGFFPXKTMBX-OLZOCXBDSA-N 2 1 247.386 2.089 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925689305 634305846 /nfs/dbraw/zinc/30/58/46/634305846.db2.gz CLOBDTVKHHOLEP-FDYHWXHSSA-N 2 1 210.365 2.151 20 0 BEADMP CSCCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931312360 634329506 /nfs/dbraw/zinc/32/95/06/634329506.db2.gz WKEXYHAKEQHEND-BETUJISGSA-N 2 1 242.432 2.013 20 0 BEADMP CSCCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931312360 634329509 /nfs/dbraw/zinc/32/95/09/634329509.db2.gz WKEXYHAKEQHEND-BETUJISGSA-N 2 1 242.432 2.013 20 0 BEADMP CSCCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931312360 634329513 /nfs/dbraw/zinc/32/95/13/634329513.db2.gz WKEXYHAKEQHEND-BETUJISGSA-N 2 1 242.432 2.013 20 0 BEADMP CSCCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931312360 634329516 /nfs/dbraw/zinc/32/95/16/634329516.db2.gz WKEXYHAKEQHEND-BETUJISGSA-N 2 1 242.432 2.013 20 0 BEADMP CCC[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931314034 634333308 /nfs/dbraw/zinc/33/33/08/634333308.db2.gz ISGHWINWCLGHGB-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@@H](C)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931314034 634333312 /nfs/dbraw/zinc/33/33/12/634333312.db2.gz ISGHWINWCLGHGB-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@@H](C)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931314034 634333318 /nfs/dbraw/zinc/33/33/18/634333318.db2.gz ISGHWINWCLGHGB-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@@H](C)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931314034 634333324 /nfs/dbraw/zinc/33/33/24/634333324.db2.gz ISGHWINWCLGHGB-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000925774565 635236710 /nfs/dbraw/zinc/23/67/10/635236710.db2.gz WNNGZRVXRSQNSC-ZWNOBZJWSA-N 2 1 249.358 2.030 20 0 BEADMP C[C@H](CC[N@@H+](C)CC1CC1)[NH+](C)CC1CC1 ZINC000431598239 635308172 /nfs/dbraw/zinc/30/81/72/635308172.db2.gz BSZUXGCKQJFZJG-GFCCVEGCSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@H](CC[NH+](C)CC1CC1)[N@H+](C)CC1CC1 ZINC000431598239 635308187 /nfs/dbraw/zinc/30/81/87/635308187.db2.gz BSZUXGCKQJFZJG-GFCCVEGCSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@H](CC[NH+](C)CC1CC1)[N@@H+](C)CC1CC1 ZINC000431598239 635308192 /nfs/dbraw/zinc/30/81/92/635308192.db2.gz BSZUXGCKQJFZJG-GFCCVEGCSA-N 2 1 224.392 2.449 20 0 BEADMP c1cn2c([nH+]1)CC[C@@H]([NH2+][C@H]1C[C@H]3C=C[C@@H]1CC3)C2 ZINC000925815079 635381438 /nfs/dbraw/zinc/38/14/38/635381438.db2.gz SXOBMSLMFTYKFC-DGAVXFQQSA-N 2 1 243.354 2.142 20 0 BEADMP Cc1ccc(OCC[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000163197710 636212392 /nfs/dbraw/zinc/21/23/92/636212392.db2.gz LLBUTRIDTFBXIY-KGLIPLIRSA-N 2 1 248.370 2.043 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](CCOC2CCCCCC2)C1 ZINC000430947396 636371351 /nfs/dbraw/zinc/37/13/51/636371351.db2.gz DQOGNGWUIMCEOT-ZDUSSCGKSA-N 2 1 240.391 2.006 20 0 BEADMP CCCCCC[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000041043327 636954942 /nfs/dbraw/zinc/95/49/42/636954942.db2.gz MDXOIWYAGHUEKA-CYBMUJFWSA-N 2 1 212.381 2.498 20 0 BEADMP CCC[C@H](CC)[NH2+]C[C@@H](C[NH+](C)C)OCC ZINC000926957396 636970542 /nfs/dbraw/zinc/97/05/42/636970542.db2.gz AYPVVACTHMEEAH-STQMWFEESA-N 2 1 230.396 2.121 20 0 BEADMP CCO[C@@H](C[NH2+][C@H]1CCCC1(C)C)C[NH+](C)C ZINC000926966208 636977602 /nfs/dbraw/zinc/97/76/02/636977602.db2.gz VZHRMWPXWCRTMC-STQMWFEESA-N 2 1 242.407 2.121 20 0 BEADMP CC1([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC(F)(F)C1 ZINC000873197959 636980944 /nfs/dbraw/zinc/98/09/44/636980944.db2.gz WXFHROSEPOFNTE-MNOVXSKESA-N 2 1 244.329 2.391 20 0 BEADMP CSC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000154215229 637034070 /nfs/dbraw/zinc/03/40/70/637034070.db2.gz LFTDLDLMKHMDRY-QWRGUYRKSA-N 2 1 230.421 2.200 20 0 BEADMP CNc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000902266767 637289742 /nfs/dbraw/zinc/28/97/42/637289742.db2.gz UHFQBHOHBPMOPX-OCCSQVGLSA-N 2 1 247.386 2.301 20 0 BEADMP CO[C@@H]1CCC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000903182506 637351018 /nfs/dbraw/zinc/35/10/18/637351018.db2.gz CGVNWPIEHWFXFC-ZIAGYGMSSA-N 2 1 240.391 2.018 20 0 BEADMP COC1CCC([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903437777 637361751 /nfs/dbraw/zinc/36/17/51/637361751.db2.gz LWCCELFDZSCRFO-KBHBFKLGSA-N 2 1 240.391 2.003 20 0 BEADMP C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903437848 637363337 /nfs/dbraw/zinc/36/33/37/637363337.db2.gz NQGPBMOGAPQCIK-ARILJUKYSA-N 2 1 236.403 2.495 20 0 BEADMP CC1CC(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000903788212 637381372 /nfs/dbraw/zinc/38/13/72/637381372.db2.gz FXSUYVUUWBEIPH-RUXDESIVSA-N 2 1 222.376 2.251 20 0 BEADMP CC1CC(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000903788212 637381364 /nfs/dbraw/zinc/38/13/64/637381364.db2.gz FXSUYVUUWBEIPH-RUXDESIVSA-N 2 1 222.376 2.251 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000904450248 637416277 /nfs/dbraw/zinc/41/62/77/637416277.db2.gz PSEBJTONGBKKTN-UHFFFAOYSA-N 2 1 244.260 2.286 20 0 BEADMP CC1(C)C[NH2+]C[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000904460712 637420420 /nfs/dbraw/zinc/42/04/20/637420420.db2.gz CBSOGVXXQQONIO-SOUVJXGZSA-N 2 1 244.382 2.378 20 0 BEADMP CC(C)Oc1ccccc1C[NH2+]C1CC([NH3+])C1 ZINC000906508587 638180834 /nfs/dbraw/zinc/18/08/34/638180834.db2.gz QTJQPYSQOMRYKM-UHFFFAOYSA-N 2 1 234.343 2.053 20 0 BEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000906516984 638188421 /nfs/dbraw/zinc/18/84/21/638188421.db2.gz BDICFMMZROGOGT-XYPYZODXSA-N 2 1 228.698 2.058 20 0 BEADMP C[N@@H+]1CCCC[C@@H]1CCO[NH+]=C(N)CC1CC1 ZINC000906500094 638194440 /nfs/dbraw/zinc/19/44/40/638194440.db2.gz LWMAOYVNMSAJDG-GFCCVEGCSA-N 2 1 239.363 2.159 20 0 BEADMP C[N@H+]1CCCC[C@@H]1CCO[NH+]=C(N)CC1CC1 ZINC000906500094 638194444 /nfs/dbraw/zinc/19/44/44/638194444.db2.gz LWMAOYVNMSAJDG-GFCCVEGCSA-N 2 1 239.363 2.159 20 0 BEADMP CCCC[NH2+][C@H](C)C[N@H+](CC)CCC ZINC000906532058 638200231 /nfs/dbraw/zinc/20/02/31/638200231.db2.gz XUPJRZYXCFTNQZ-GFCCVEGCSA-N 2 1 200.370 2.497 20 0 BEADMP CCCC[NH2+][C@H](C)C[N@@H+](CC)CCC ZINC000906532058 638200237 /nfs/dbraw/zinc/20/02/37/638200237.db2.gz XUPJRZYXCFTNQZ-GFCCVEGCSA-N 2 1 200.370 2.497 20 0 BEADMP CCCC[NH2+]CCC[N@@H+](C)CC(C)C ZINC000906534012 638202484 /nfs/dbraw/zinc/20/24/84/638202484.db2.gz MGCKBCSBUAUAKO-UHFFFAOYSA-N 2 1 200.370 2.354 20 0 BEADMP CCCC[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC000906537853 638204285 /nfs/dbraw/zinc/20/42/85/638204285.db2.gz NSNADNKXLKWTLG-UHFFFAOYSA-N 2 1 200.370 2.306 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000150284530 639477561 /nfs/dbraw/zinc/47/75/61/639477561.db2.gz VOTZIQZOEXNVHH-NSHDSACASA-N 2 1 240.297 2.405 20 0 BEADMP C[NH+]1C[C@@]2(C)C[NH+](CCCCF)C[C@]2(C)C1 ZINC000931314354 640140732 /nfs/dbraw/zinc/14/07/32/640140732.db2.gz MNIQBESPNFNZCJ-STQMWFEESA-N 2 1 228.355 2.010 20 0 BEADMP C[NH+]1C[C@@]2(C)C[NH+](CC3CCC3)C[C@]2(C)C1 ZINC000931306563 640144249 /nfs/dbraw/zinc/14/42/49/640144249.db2.gz BBYAGNWRQLDFOV-KBPBESRZSA-N 2 1 222.376 2.060 20 0 BEADMP CCSCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310394 640145182 /nfs/dbraw/zinc/14/51/82/640145182.db2.gz JHCAPWHDYDVJQO-STQMWFEESA-N 2 1 242.432 2.013 20 0 BEADMP C[NH+]1C[C@]2(C)C[NH+](C3CCCC3)C[C@@]2(C)C1 ZINC000931310865 640147742 /nfs/dbraw/zinc/14/77/42/640147742.db2.gz IZNOKIMVGXBBAZ-ZIAGYGMSSA-N 2 1 222.376 2.203 20 0 BEADMP CC1CC(C[NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)C1 ZINC000931311308 640148193 /nfs/dbraw/zinc/14/81/93/640148193.db2.gz HJDKRUGPVVXUNO-NEXFUWMNSA-N 2 1 236.403 2.306 20 0 BEADMP C[NH+]1C[C@@]2(C)C[NH+](CC3=CCCC3)C[C@]2(C)C1 ZINC000931318197 640154807 /nfs/dbraw/zinc/15/48/07/640154807.db2.gz SKECLPCYJSUJMG-GJZGRUSLSA-N 2 1 234.387 2.370 20 0 BEADMP CC1CC(C[N@@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931515988 640239008 /nfs/dbraw/zinc/23/90/08/640239008.db2.gz FVFRVNJQGSRZCF-UHFFFAOYSA-N 2 1 231.343 2.068 20 0 BEADMP CC1CC(C[N@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931515988 640239013 /nfs/dbraw/zinc/23/90/13/640239013.db2.gz FVFRVNJQGSRZCF-UHFFFAOYSA-N 2 1 231.343 2.068 20 0 BEADMP Nc1cc[nH+]c2c1C[N@H+](CC1CCCC1)CC2 ZINC000931508083 640239610 /nfs/dbraw/zinc/23/96/10/640239610.db2.gz DUCPSEPDEODHSO-UHFFFAOYSA-N 2 1 231.343 2.212 20 0 BEADMP Nc1cc[nH+]c2c1C[N@@H+](CC1CCCC1)CC2 ZINC000931508083 640239614 /nfs/dbraw/zinc/23/96/14/640239614.db2.gz DUCPSEPDEODHSO-UHFFFAOYSA-N 2 1 231.343 2.212 20 0 BEADMP CCC[C@@H](C)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517444 640245957 /nfs/dbraw/zinc/24/59/57/640245957.db2.gz ITUDOCSORUCLRM-SNVBAGLBSA-N 2 1 219.332 2.211 20 0 BEADMP CCC[C@@H](C)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517444 640245960 /nfs/dbraw/zinc/24/59/60/640245960.db2.gz ITUDOCSORUCLRM-SNVBAGLBSA-N 2 1 219.332 2.211 20 0 BEADMP C[C@H](C1CC1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000931764335 640357590 /nfs/dbraw/zinc/35/75/90/640357590.db2.gz PTIKMRHNJDXJOM-QWHCGFSZSA-N 2 1 245.370 2.391 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@@H]1C ZINC000221706059 640418653 /nfs/dbraw/zinc/41/86/53/640418653.db2.gz KZPNGGIIRSSJII-RDBSUJKOSA-N 2 1 224.392 2.354 20 0 BEADMP CSCC[C@H](C)[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000156903824 640516626 /nfs/dbraw/zinc/51/66/26/640516626.db2.gz CITRJNVQDBHUGK-QWHCGFSZSA-N 2 1 244.448 2.450 20 0 BEADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccoc2)C1 ZINC000165419814 640576431 /nfs/dbraw/zinc/57/64/31/640576431.db2.gz UFLNYQDXASHFDT-STQMWFEESA-N 2 1 222.332 2.242 20 0 BEADMP C[C@H](C[N@H+]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000224206893 640605777 /nfs/dbraw/zinc/60/57/77/640605777.db2.gz AXCCSGLZYHMTOD-OLZOCXBDSA-N 2 1 218.344 2.071 20 0 BEADMP Clc1ccc(CC[NH2+]C[C@@H]2CCC[NH2+]2)s1 ZINC000226349368 640751346 /nfs/dbraw/zinc/75/13/46/640751346.db2.gz ZFNUJTCHCQDGLC-VIFPVBQESA-N 2 1 244.791 2.286 20 0 BEADMP CCC(CC)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734359 640757888 /nfs/dbraw/zinc/75/78/88/640757888.db2.gz RKYYYQGRRIOHQB-UONOGXRCSA-N 2 1 224.392 2.306 20 0 BEADMP CCC(CC)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933734359 640757891 /nfs/dbraw/zinc/75/78/91/640757891.db2.gz RKYYYQGRRIOHQB-UONOGXRCSA-N 2 1 224.392 2.306 20 0 BEADMP CCC(CC)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933734359 640757895 /nfs/dbraw/zinc/75/78/95/640757895.db2.gz RKYYYQGRRIOHQB-UONOGXRCSA-N 2 1 224.392 2.306 20 0 BEADMP CCCCCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933741178 640757965 /nfs/dbraw/zinc/75/79/65/640757965.db2.gz SNTWHKLBNPXWFJ-UONOGXRCSA-N 2 1 224.392 2.450 20 0 BEADMP CCCCCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933741178 640757969 /nfs/dbraw/zinc/75/79/69/640757969.db2.gz SNTWHKLBNPXWFJ-UONOGXRCSA-N 2 1 224.392 2.450 20 0 BEADMP CCCCCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933741178 640757971 /nfs/dbraw/zinc/75/79/71/640757971.db2.gz SNTWHKLBNPXWFJ-UONOGXRCSA-N 2 1 224.392 2.450 20 0 BEADMP CC(C)[C@@H]1CCC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000226564323 640776816 /nfs/dbraw/zinc/77/68/16/640776816.db2.gz IWKCFUXWOQMEID-KBPBESRZSA-N 2 1 224.392 2.497 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]3CCC[C@H]32)C1 ZINC000228226284 640866752 /nfs/dbraw/zinc/86/67/52/640866752.db2.gz NZSLPMSNWYSLSQ-IGQOVBAYSA-N 2 1 222.376 2.378 20 0 BEADMP Cc1ccccc1OCC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000228348546 640871587 /nfs/dbraw/zinc/87/15/87/640871587.db2.gz BOKZDPXUVZSEBS-KGLIPLIRSA-N 2 1 248.370 2.185 20 0 BEADMP CCCCCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000228986599 640909070 /nfs/dbraw/zinc/90/90/70/640909070.db2.gz JHSGXEFDUZQBCQ-OLZOCXBDSA-N 2 1 212.381 2.483 20 0 BEADMP c1ccc([C@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000050599372 641190653 /nfs/dbraw/zinc/19/06/53/641190653.db2.gz GMSNDDHMMIXEQL-ZBFHGGJFSA-N 2 1 244.382 2.476 20 0 BEADMP C[C@@H]1CC[C@@H](C[N@@H+](C)C2(C[NH3+])CCCCC2)O1 ZINC000231997410 641223340 /nfs/dbraw/zinc/22/33/40/641223340.db2.gz FZLKOUQJCFDYAO-OLZOCXBDSA-N 2 1 240.391 2.147 20 0 BEADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccnc(Cl)c1 ZINC000151938120 641485847 /nfs/dbraw/zinc/48/58/47/641485847.db2.gz HGHCHVQHDICPMP-SNVBAGLBSA-N 2 1 241.766 2.337 20 0 BEADMP CC1CC(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000929847633 641762404 /nfs/dbraw/zinc/76/24/04/641762404.db2.gz MPNVKGIDIYDWBA-NEXFUWMNSA-N 2 1 236.403 2.449 20 0 BEADMP CC1CC(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000929847633 641762411 /nfs/dbraw/zinc/76/24/11/641762411.db2.gz MPNVKGIDIYDWBA-NEXFUWMNSA-N 2 1 236.403 2.449 20 0 BEADMP CC1CC(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000929847633 641762413 /nfs/dbraw/zinc/76/24/13/641762413.db2.gz MPNVKGIDIYDWBA-NEXFUWMNSA-N 2 1 236.403 2.449 20 0 BEADMP CC[N@@H+](CC1CC1)C[C@]1(C)CCC[NH2+]C1 ZINC000068947609 642813628 /nfs/dbraw/zinc/81/36/28/642813628.db2.gz YSOSVXWOLZAKGC-CYBMUJFWSA-N 2 1 210.365 2.108 20 0 BEADMP [NH3+][C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC000070585205 643043030 /nfs/dbraw/zinc/04/30/30/643043030.db2.gz JOKNLJCUMRLHPG-CYBMUJFWSA-N 2 1 210.365 2.380 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC000070585205 643043040 /nfs/dbraw/zinc/04/30/40/643043040.db2.gz JOKNLJCUMRLHPG-CYBMUJFWSA-N 2 1 210.365 2.380 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCC2CCC2)[C@H](C)C1 ZINC000090233322 643077972 /nfs/dbraw/zinc/07/79/72/643077972.db2.gz AQOKPWXPDOWZQA-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)CC1 ZINC000082496677 643326854 /nfs/dbraw/zinc/32/68/54/643326854.db2.gz UFKLDOHGGVFOBH-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C1CCCCCC1 ZINC000082560474 643343104 /nfs/dbraw/zinc/34/31/04/643343104.db2.gz VZKJHRYPEHWBRR-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCc1cccs1 ZINC000082602688 643352906 /nfs/dbraw/zinc/35/29/06/643352906.db2.gz CSAOBKPONLOJBB-WCQYABFASA-N 2 1 238.400 2.492 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCc1cccs1 ZINC000082602688 643352909 /nfs/dbraw/zinc/35/29/09/643352909.db2.gz CSAOBKPONLOJBB-WCQYABFASA-N 2 1 238.400 2.492 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCc2cccs2)C1 ZINC000082602425 643353970 /nfs/dbraw/zinc/35/39/70/643353970.db2.gz MLNLMZWHASRVET-LBPRGKRZSA-N 2 1 238.400 2.222 20 0 BEADMP C[C@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)Cc2ccccc21 ZINC000843356219 643362638 /nfs/dbraw/zinc/36/26/38/643362638.db2.gz HTVRRHIWVARPAI-QWHCGFSZSA-N 2 1 230.355 2.215 20 0 BEADMP C[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)CC1 ZINC000082496676 643509459 /nfs/dbraw/zinc/50/94/59/643509459.db2.gz UFKLDOHGGVFOBH-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@H]1CC[C@H](C)[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000084046561 643641734 /nfs/dbraw/zinc/64/17/34/643641734.db2.gz MXNKIBCQPHNFAG-RYUDHWBXSA-N 2 1 210.365 2.249 20 0 BEADMP Cl/C=C/C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000846220063 643652450 /nfs/dbraw/zinc/65/24/50/643652450.db2.gz ABCIQJUHVCROQD-LOKFXGJOSA-N 2 1 242.794 2.451 20 0 BEADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000084384507 643659062 /nfs/dbraw/zinc/65/90/62/643659062.db2.gz JXGKCFBQXJRURJ-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP [NH3+]C[C@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000050245394 643661479 /nfs/dbraw/zinc/66/14/79/643661479.db2.gz NWZIHPNDOZRZIH-DOMZBBRYSA-N 2 1 230.355 2.345 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1C ZINC000050245459 643661808 /nfs/dbraw/zinc/66/18/08/643661808.db2.gz QYQVTZWGNRXXOR-AWEZNQCLSA-N 2 1 218.344 2.084 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000085014378 643680832 /nfs/dbraw/zinc/68/08/32/643680832.db2.gz WYDDCNDIOALUIC-XQHKEYJVSA-N 2 1 210.365 2.092 20 0 BEADMP C[N@H+](Cc1ccc(Cl)nc1)CC(C)(C)C[NH3+] ZINC000086638310 644158761 /nfs/dbraw/zinc/15/87/61/644158761.db2.gz VLZQUWYJKBDURY-UHFFFAOYSA-N 2 1 241.766 2.152 20 0 BEADMP C[N@@H+](Cc1ccc(Cl)nc1)CC(C)(C)C[NH3+] ZINC000086638310 644158763 /nfs/dbraw/zinc/15/87/63/644158763.db2.gz VLZQUWYJKBDURY-UHFFFAOYSA-N 2 1 241.766 2.152 20 0 BEADMP C(C1CC[NH2+]CC1)[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000923273207 644307434 /nfs/dbraw/zinc/30/74/34/644307434.db2.gz UTJJIJUBZBRHRS-HZPDHXFCSA-N 2 1 248.414 2.497 20 0 BEADMP CCCCCC[C@H](O)C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000923282775 644318267 /nfs/dbraw/zinc/31/82/67/644318267.db2.gz XSFSMLKXOWFOLQ-KGLIPLIRSA-N 2 1 242.407 2.131 20 0 BEADMP CCCCCC[C@H](O)C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000923282775 644318272 /nfs/dbraw/zinc/31/82/72/644318272.db2.gz XSFSMLKXOWFOLQ-KGLIPLIRSA-N 2 1 242.407 2.131 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@@H+]1CC1CCC2(CC2)CC1 ZINC000923293166 644329814 /nfs/dbraw/zinc/32/98/14/644329814.db2.gz ONJHYJFHEFVLSR-ZDUSSCGKSA-N 2 1 222.376 2.380 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@H+]1CC1CCC2(CC2)CC1 ZINC000923293166 644329821 /nfs/dbraw/zinc/32/98/21/644329821.db2.gz ONJHYJFHEFVLSR-ZDUSSCGKSA-N 2 1 222.376 2.380 20 0 BEADMP CC(C)[N@H+](CCC[NH2+]C1CC1)Cc1ccccn1 ZINC000923322584 644351455 /nfs/dbraw/zinc/35/14/55/644351455.db2.gz PQSAENYQJQKBJF-UHFFFAOYSA-N 2 1 247.386 2.434 20 0 BEADMP CC(C)[N@@H+](CCC[NH2+]C1CC1)Cc1ccccn1 ZINC000923322584 644351458 /nfs/dbraw/zinc/35/14/58/644351458.db2.gz PQSAENYQJQKBJF-UHFFFAOYSA-N 2 1 247.386 2.434 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@@H]1[NH3+] ZINC000923365561 644375344 /nfs/dbraw/zinc/37/53/44/644375344.db2.gz FXYOPPCJFRBJHW-YPMHNXCESA-N 2 1 222.376 2.236 20 0 BEADMP CCCCCC[C@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000923367250 644377631 /nfs/dbraw/zinc/37/76/31/644377631.db2.gz DRCGRCFVOQQYEG-STQMWFEESA-N 2 1 244.423 2.281 20 0 BEADMP Fc1cccc(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000923359374 644384890 /nfs/dbraw/zinc/38/48/90/644384890.db2.gz QQKBYKFFMCRZKD-ZFWWWQNUSA-N 2 1 248.345 2.052 20 0 BEADMP Fc1cccc(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000923359374 644384893 /nfs/dbraw/zinc/38/48/93/644384893.db2.gz QQKBYKFFMCRZKD-ZFWWWQNUSA-N 2 1 248.345 2.052 20 0 BEADMP c1cncc([C@@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)c1 ZINC000923383563 644396834 /nfs/dbraw/zinc/39/68/34/644396834.db2.gz KASPCZARRDINCO-CQSZACIVSA-N 2 1 245.370 2.013 20 0 BEADMP CCCCCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000923392202 644398139 /nfs/dbraw/zinc/39/81/39/644398139.db2.gz IIOZYAKZXCMRGU-IHRRRGAJSA-N 2 1 242.407 2.129 20 0 BEADMP C[C@H]1C[NH+](CCC[NH2+]C2CC2)C[C@H](C)C1(F)F ZINC000923397743 644404302 /nfs/dbraw/zinc/40/43/02/644404302.db2.gz GIKFAMSPMRHQIE-QWRGUYRKSA-N 2 1 246.345 2.352 20 0 BEADMP C[C@H]1CC[C@H](C)[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000084047060 644415158 /nfs/dbraw/zinc/41/51/58/644415158.db2.gz IKXIBSPLKGSXMV-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H]1CC[C@H](C)[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000084047060 644415161 /nfs/dbraw/zinc/41/51/61/644415161.db2.gz IKXIBSPLKGSXMV-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000085016285 644436053 /nfs/dbraw/zinc/43/60/53/644436053.db2.gz OTICXAHIGWGDEF-XQHKEYJVSA-N 2 1 210.365 2.234 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)C(C)(C)C ZINC000923453919 644441630 /nfs/dbraw/zinc/44/16/30/644441630.db2.gz CZDJFDPZPMTZOZ-RWMBFGLXSA-N 2 1 224.392 2.352 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000923482571 644459468 /nfs/dbraw/zinc/45/94/68/644459468.db2.gz RJKCTYCVPRIXOG-ABAIWWIYSA-N 2 1 248.345 2.484 20 0 BEADMP CCc1cccc(C[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000923480507 644460506 /nfs/dbraw/zinc/46/05/06/644460506.db2.gz HZWQAUHZQUMCKA-AWEZNQCLSA-N 2 1 232.371 2.420 20 0 BEADMP C=C/C=C/CC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923488342 644461268 /nfs/dbraw/zinc/46/12/68/644461268.db2.gz DSKXQBGNUUTHQK-IJWDBEHRSA-N 2 1 208.349 2.035 20 0 BEADMP C=C/C=C\CC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923488344 644462712 /nfs/dbraw/zinc/46/27/12/644462712.db2.gz DSKXQBGNUUTHQK-OEFFGFFESA-N 2 1 208.349 2.035 20 0 BEADMP C[C@@H]1C[N@@H+](CCCC2CCC2)CC[C@H]1C[NH3+] ZINC000923489759 644465373 /nfs/dbraw/zinc/46/53/73/644465373.db2.gz KQXDVSBYSVDLAU-OCCSQVGLSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@H]1C[N@@H+](CC=C(Cl)Cl)CC[C@H]1C[NH3+] ZINC000923488756 644465799 /nfs/dbraw/zinc/46/57/99/644465799.db2.gz GEDLVMKOTBXFLQ-IUCAKERBSA-N 2 1 237.174 2.222 20 0 BEADMP CCc1ccc(CC[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000923491200 644465902 /nfs/dbraw/zinc/46/59/02/644465902.db2.gz KZSAVEMTYYHFEX-INIZCTEOSA-N 2 1 246.398 2.462 20 0 BEADMP C[C@@H]1C[N@@H+](CCCC2CC2)CC[C@H]1C[NH3+] ZINC000923492588 644467506 /nfs/dbraw/zinc/46/75/06/644467506.db2.gz XLVNQWHZORKTIB-YPMHNXCESA-N 2 1 210.365 2.093 20 0 BEADMP C[C@@H]1C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)CC[C@H]1C[NH3+] ZINC000923491936 644467905 /nfs/dbraw/zinc/46/79/05/644467905.db2.gz KUSZMMWIBSJDPJ-RZFFKMDDSA-N 2 1 236.403 2.339 20 0 BEADMP C[C@@H]1C[N@@H+](CCCC2CC2)CC[C@@H]1C[NH3+] ZINC000923492585 644467944 /nfs/dbraw/zinc/46/79/44/644467944.db2.gz XLVNQWHZORKTIB-DGCLKSJQSA-N 2 1 210.365 2.093 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923498720 644472398 /nfs/dbraw/zinc/47/23/98/644472398.db2.gz JJDHUWYLLHNXIQ-HIFRSBDPSA-N 2 1 232.371 2.412 20 0 BEADMP Cc1ccc(CC[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923498338 644473001 /nfs/dbraw/zinc/47/30/01/644473001.db2.gz OEQOSNWYPHSVLZ-ZBFHGGJFSA-N 2 1 246.398 2.454 20 0 BEADMP C[C@@H]1C[N@@H+](CCc2cccs2)CC[C@H]1C[NH3+] ZINC000923497848 644473997 /nfs/dbraw/zinc/47/39/97/644473997.db2.gz MTEMXQLBVYMSRT-NEPJUHHUSA-N 2 1 238.400 2.207 20 0 BEADMP C[C@@H]1C[N@H+]([C@H]2C[C@@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000923515500 644480177 /nfs/dbraw/zinc/48/01/77/644480177.db2.gz XBNIVKHFEAUEFU-NGFQHRJXSA-N 2 1 230.355 2.069 20 0 BEADMP C[C@H](c1ccccc1F)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518546 644483128 /nfs/dbraw/zinc/48/31/28/644483128.db2.gz NDOXJFRXVWSBRX-FRRDWIJNSA-N 2 1 248.345 2.428 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923521138 644483959 /nfs/dbraw/zinc/48/39/59/644483959.db2.gz QSAKRBDJRWWUDU-GOEBONIOSA-N 2 1 244.382 2.345 20 0 BEADMP C([C@H]1CC[NH2+]C1)[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000923526419 644485453 /nfs/dbraw/zinc/48/54/53/644485453.db2.gz PYKZSJZYTJHUEQ-NILFDRSVSA-N 2 1 234.387 2.106 20 0 BEADMP C=C/C=C\CC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530943 644486905 /nfs/dbraw/zinc/48/69/05/644486905.db2.gz NIZVPJVIOYNMMJ-VQTKUKTRSA-N 2 1 220.360 2.337 20 0 BEADMP C=C/C=C\CC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530943 644486909 /nfs/dbraw/zinc/48/69/09/644486909.db2.gz NIZVPJVIOYNMMJ-VQTKUKTRSA-N 2 1 220.360 2.337 20 0 BEADMP C(C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2)C1CCC1 ZINC000923533044 644489118 /nfs/dbraw/zinc/48/91/18/644489118.db2.gz JADHBUKABYKUTD-CQSZACIVSA-N 2 1 222.376 2.395 20 0 BEADMP C(C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)C1CCC1 ZINC000923533044 644489125 /nfs/dbraw/zinc/48/91/25/644489125.db2.gz JADHBUKABYKUTD-CQSZACIVSA-N 2 1 222.376 2.395 20 0 BEADMP C[C@]1(Cc2cccs2)CCC[N@H+]1CCN ZINC000923531782 644490603 /nfs/dbraw/zinc/49/06/03/644490603.db2.gz WBCGTUDDNZSVAY-GFCCVEGCSA-N 2 1 224.373 2.104 20 0 BEADMP C[C@]1(Cc2cccs2)CCCN1CC[NH3+] ZINC000923531782 644490605 /nfs/dbraw/zinc/49/06/05/644490605.db2.gz WBCGTUDDNZSVAY-GFCCVEGCSA-N 2 1 224.373 2.104 20 0 BEADMP C[C@]1(Cc2cccs2)CCC[N@@H+]1CC[NH3+] ZINC000923531782 644490607 /nfs/dbraw/zinc/49/06/07/644490607.db2.gz WBCGTUDDNZSVAY-GFCCVEGCSA-N 2 1 224.373 2.104 20 0 BEADMP C[C@]1(Cc2cccs2)CCC[N@H+]1CC[NH3+] ZINC000923531782 644490610 /nfs/dbraw/zinc/49/06/10/644490610.db2.gz WBCGTUDDNZSVAY-GFCCVEGCSA-N 2 1 224.373 2.104 20 0 BEADMP CCCCC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923542364 644494821 /nfs/dbraw/zinc/49/48/21/644494821.db2.gz OSYBMLGUNZFXLH-CYBMUJFWSA-N 2 1 210.365 2.395 20 0 BEADMP CCCCC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923542364 644494825 /nfs/dbraw/zinc/49/48/25/644494825.db2.gz OSYBMLGUNZFXLH-CYBMUJFWSA-N 2 1 210.365 2.395 20 0 BEADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(F)cc1 ZINC000089749196 644565764 /nfs/dbraw/zinc/56/57/64/644565764.db2.gz DPZBKSDBMHRHKP-LBPRGKRZSA-N 2 1 236.334 2.257 20 0 BEADMP C[N@H+](Cc1ccoc1)CC1CC[NH+](C)CC1 ZINC000093089227 644678041 /nfs/dbraw/zinc/67/80/41/644678041.db2.gz BVAUXTURQWMXNE-UHFFFAOYSA-N 2 1 222.332 2.053 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000251849009 644826573 /nfs/dbraw/zinc/82/65/73/644826573.db2.gz OURFWNYDKLTFAK-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[C@@H](C)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000415135600 644886138 /nfs/dbraw/zinc/88/61/38/644886138.db2.gz GJNRDVJHXIPHDI-OLZOCXBDSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@H]1C ZINC000253068703 644934084 /nfs/dbraw/zinc/93/40/84/644934084.db2.gz KZPNGGIIRSSJII-MCIONIFRSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@H]1CC[N@@H+](CCc2cccs2)C[C@H]1C[NH3+] ZINC000253202447 644944054 /nfs/dbraw/zinc/94/40/54/644944054.db2.gz YXIKOPUIGYRLET-NWDGAFQWSA-N 2 1 238.400 2.207 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCC[C@H]1F ZINC000926588524 645301322 /nfs/dbraw/zinc/30/13/22/645301322.db2.gz ZEHQOHPLPOXMLO-DYPLGBCKSA-N 2 1 240.366 2.197 20 0 BEADMP C[C@@H]([NH3+])[C@@H]([NH2+]CC1CCC1)c1ccccc1 ZINC000925485470 645344739 /nfs/dbraw/zinc/34/47/39/645344739.db2.gz NOBKYXQAFHYGOZ-BXUZGUMPSA-N 2 1 218.344 2.465 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000844924460 645350030 /nfs/dbraw/zinc/35/00/30/645350030.db2.gz QPKSEDFIDKUDGI-RHYQMDGZSA-N 2 1 248.773 2.279 20 0 BEADMP Cc1ccc(OCC[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000011888587 645645939 /nfs/dbraw/zinc/64/59/39/645645939.db2.gz XGGJKPRMFOWHAD-AWEZNQCLSA-N 2 1 248.370 2.045 20 0 BEADMP C[NH+](C)[C@@H](C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2)C1CC1 ZINC000924718016 646096067 /nfs/dbraw/zinc/09/60/67/646096067.db2.gz ORDQNLAKXCRVFM-NEBZKDRISA-N 2 1 234.387 2.271 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CC=CCC1 ZINC000924805590 646108170 /nfs/dbraw/zinc/10/81/70/646108170.db2.gz KPOXQLILXAGQCI-RDGKXADDSA-N 2 1 234.387 2.273 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CC[N@@H+]1C ZINC000925143515 646193486 /nfs/dbraw/zinc/19/34/86/646193486.db2.gz QRNOWPHGSKNJHM-KHMAMNHCSA-N 2 1 234.387 2.413 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CC[N@H+]1C ZINC000925143515 646193488 /nfs/dbraw/zinc/19/34/88/646193488.db2.gz QRNOWPHGSKNJHM-KHMAMNHCSA-N 2 1 234.387 2.413 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000929703818 646259137 /nfs/dbraw/zinc/25/91/37/646259137.db2.gz USLSDFJDUBKWNM-MCIONIFRSA-N 2 1 224.392 2.306 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000929703818 646259146 /nfs/dbraw/zinc/25/91/46/646259146.db2.gz USLSDFJDUBKWNM-MCIONIFRSA-N 2 1 224.392 2.306 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000929703818 646259155 /nfs/dbraw/zinc/25/91/55/646259155.db2.gz USLSDFJDUBKWNM-MCIONIFRSA-N 2 1 224.392 2.306 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(C)CCC1 ZINC000925498570 646300955 /nfs/dbraw/zinc/30/09/55/646300955.db2.gz QTHGDARFAPQRJR-FUNVUKJBSA-N 2 1 222.376 2.106 20 0 BEADMP Cc1ccccc1CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925509356 646309246 /nfs/dbraw/zinc/30/92/46/646309246.db2.gz MDQLBOUKXYZUKO-AWEZNQCLSA-N 2 1 232.371 2.268 20 0 BEADMP C1CCC2(C1)[NH2+]CC[C@@H]2[NH2+][C@@H]1CCCSC1 ZINC000925532954 646319277 /nfs/dbraw/zinc/31/92/77/646319277.db2.gz ZNTOQADOADUONW-NEPJUHHUSA-N 2 1 240.416 2.146 20 0 BEADMP COCCCC[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925560567 646336126 /nfs/dbraw/zinc/33/61/26/646336126.db2.gz ZMNGFUMBILEYAQ-TZMCWYRMSA-N 2 1 236.359 2.091 20 0 BEADMP CO[C@H](C)CCN[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925565429 646337797 /nfs/dbraw/zinc/33/77/97/646337797.db2.gz RBELTDUJQACHDT-BZPMIXESSA-N 2 1 236.359 2.090 20 0 BEADMP C[C@@H]([NH3+])[C@H]([NH2+]CC1(C)CC1)c1ccccc1 ZINC000925577649 646343274 /nfs/dbraw/zinc/34/32/74/646343274.db2.gz VDBRQAQMQIYLQC-YPMHNXCESA-N 2 1 218.344 2.465 20 0 BEADMP CS[C@H](C)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925584043 646346435 /nfs/dbraw/zinc/34/64/35/646346435.db2.gz AMBGLMGFNNPOFC-GHMZBOCLSA-N 2 1 228.405 2.002 20 0 BEADMP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925604625 646354810 /nfs/dbraw/zinc/35/48/10/646354810.db2.gz LXUJLDWEPPZIFE-UTUOFQBUSA-N 2 1 208.349 2.049 20 0 BEADMP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925604623 646355735 /nfs/dbraw/zinc/35/57/35/646355735.db2.gz LXUJLDWEPPZIFE-GRYCIOLGSA-N 2 1 208.349 2.049 20 0 BEADMP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925604624 646355985 /nfs/dbraw/zinc/35/59/85/646355985.db2.gz LXUJLDWEPPZIFE-IJLUTSLNSA-N 2 1 208.349 2.049 20 0 BEADMP C[C@@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccccc1 ZINC000925621707 646367848 /nfs/dbraw/zinc/36/78/48/646367848.db2.gz MGQDFPAPSYSTAQ-IOIVRQTOSA-N 2 1 242.366 2.334 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1cncc(F)c1 ZINC000925635930 646379821 /nfs/dbraw/zinc/37/98/21/646379821.db2.gz VCTNIFGMZRJYAL-TVYUQYBPSA-N 2 1 249.333 2.141 20 0 BEADMP CS[C@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)C(C)(C)C ZINC000925637743 646381990 /nfs/dbraw/zinc/38/19/90/646381990.db2.gz QWPBZPVLUFSIRP-SDDRHHMPSA-N 2 1 244.448 2.494 20 0 BEADMP C[C@H]([NH3+])[C@H]([NH2+]CC[C@@H]1CCOC1)c1ccccc1 ZINC000925638140 646382166 /nfs/dbraw/zinc/38/21/66/646382166.db2.gz YHAYXACXJYWAPJ-GUTXKFCHSA-N 2 1 248.370 2.091 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000925666720 646397878 /nfs/dbraw/zinc/39/78/78/646397878.db2.gz QNNKUJMNQWXRAE-RKDXNWHRSA-N 2 1 238.297 2.305 20 0 BEADMP COCC(C)(C)CCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925673400 646403748 /nfs/dbraw/zinc/40/37/48/646403748.db2.gz NXENTNTUHQFPMD-OLZOCXBDSA-N 2 1 242.407 2.169 20 0 BEADMP Cc1cccnc1CCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925684108 646411878 /nfs/dbraw/zinc/41/18/78/646411878.db2.gz ZUAQPLWOWAWONZ-AWEZNQCLSA-N 2 1 247.386 2.053 20 0 BEADMP CC[NH2+]CCCN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925688242 646414602 /nfs/dbraw/zinc/41/46/02/646414602.db2.gz CFFFUQMCONLLQQ-HNNXBMFYSA-N 2 1 249.402 2.056 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925693110 646418151 /nfs/dbraw/zinc/41/81/51/646418151.db2.gz LLHSZFFKGBNLRB-UPJWGTAASA-N 2 1 222.376 2.295 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CCC(F)CC1 ZINC000925705196 646428846 /nfs/dbraw/zinc/42/88/46/646428846.db2.gz AFKPSNYUZBNXTC-WTIISPKJSA-N 2 1 228.355 2.245 20 0 BEADMP C[C@@H]([NH3+])[C@H]([NH2+][C@H](C)CCCC[NH3+])c1ccccc1 ZINC000925711827 646436023 /nfs/dbraw/zinc/43/60/23/646436023.db2.gz SJWCDQQVADYOBC-NFAWXSAZSA-N 3 1 249.402 2.182 20 0 BEADMP C[C@@H]([NH3+])[C@H](N[C@H](C)CCCC[NH3+])c1ccccc1 ZINC000925711827 646436027 /nfs/dbraw/zinc/43/60/27/646436027.db2.gz SJWCDQQVADYOBC-NFAWXSAZSA-N 2 1 249.402 2.182 20 0 BEADMP CC(C)(F)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925724820 646449858 /nfs/dbraw/zinc/44/98/58/646449858.db2.gz NIBZCGUTBVRNBS-VWYCJHECSA-N 2 1 228.355 2.101 20 0 BEADMP CCC[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)OCC ZINC000925724026 646449985 /nfs/dbraw/zinc/44/99/85/646449985.db2.gz VRNYRNQJEOZAEL-STQMWFEESA-N 2 1 240.391 2.066 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000925732827 646456241 /nfs/dbraw/zinc/45/62/41/646456241.db2.gz DJZVCPJXQHOLJY-WCQYABFASA-N 2 1 222.376 2.154 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000723654825 711531785 /nfs/dbraw/zinc/53/17/85/711531785.db2.gz IKNBHNRUNIMTEZ-FVCCEPFGSA-N 2 1 210.365 2.282 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1F ZINC000925791209 646485081 /nfs/dbraw/zinc/48/50/81/646485081.db2.gz PDNFUKCOATZJRM-UTUOFQBUSA-N 2 1 236.334 2.332 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccns1 ZINC000925811909 646490145 /nfs/dbraw/zinc/49/01/45/646490145.db2.gz FWOJXWRTHRWPNN-ZJUUUORDSA-N 2 1 248.355 2.005 20 0 BEADMP C[C@@H]1CC[C@@H](C)C1[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000925814734 646491518 /nfs/dbraw/zinc/49/15/18/646491518.db2.gz PHFPRWWGSSKXTD-UTUOFQBUSA-N 2 1 233.359 2.222 20 0 BEADMP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccoc1 ZINC000925840894 646505754 /nfs/dbraw/zinc/50/57/54/646505754.db2.gz DBIFLCMQGBRHEM-IACUBPJLSA-N 2 1 234.343 2.462 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000034289457 646554765 /nfs/dbraw/zinc/55/47/65/646554765.db2.gz XNJRTNRWKMAWCR-UHFFFAOYSA-N 2 1 244.382 2.387 20 0 BEADMP CNc1ccccc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000383318470 711578426 /nfs/dbraw/zinc/57/84/26/711578426.db2.gz SBBCXSARHBKWBM-LBPRGKRZSA-N 2 1 235.375 2.158 20 0 BEADMP C[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)[C@H]1C ZINC000393728925 711676663 /nfs/dbraw/zinc/67/66/63/711676663.db2.gz LHLGKFPIHFQZRU-UTLUCORTSA-N 2 1 220.307 2.089 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@H]1C ZINC000393728925 711676665 /nfs/dbraw/zinc/67/66/65/711676665.db2.gz LHLGKFPIHFQZRU-UTLUCORTSA-N 2 1 220.307 2.089 20 0 BEADMP CC[C@H]1C[C@H](C)C[N@H+]1CCC[NH2+]C1CC1 ZINC000399137192 711744253 /nfs/dbraw/zinc/74/42/53/711744253.db2.gz XPEFBDVWXYJPFC-AAEUAGOBSA-N 2 1 210.365 2.249 20 0 BEADMP CCC[N@H+](CC)CC[NH2+]C1CC(C(F)F)C1 ZINC000381399822 711785981 /nfs/dbraw/zinc/78/59/81/711785981.db2.gz QQCJQVYRZLROIU-UHFFFAOYSA-N 2 1 234.334 2.352 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+]C1CC(C(F)F)C1 ZINC000381399822 711785983 /nfs/dbraw/zinc/78/59/83/711785983.db2.gz QQCJQVYRZLROIU-UHFFFAOYSA-N 2 1 234.334 2.352 20 0 BEADMP Cc1ccccc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000160064531 711805756 /nfs/dbraw/zinc/80/57/56/711805756.db2.gz NBFSZIUAWIFNAF-ZDUSSCGKSA-N 2 1 218.344 2.166 20 0 BEADMP Cc1ccsc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229065719 711837326 /nfs/dbraw/zinc/83/73/26/711837326.db2.gz DSFLDCQYYBKWSA-PWSUYJOCSA-N 2 1 238.400 2.473 20 0 BEADMP COC[C@@H](C[N@H+]1CCCC[C@H]1CC[NH3+])C(C)C ZINC000721959265 711947883 /nfs/dbraw/zinc/94/78/83/711947883.db2.gz HGMRSTZDTFIJAJ-KGLIPLIRSA-N 2 1 242.407 2.108 20 0 BEADMP C[C@@H](CC[NH2+]Cc1cccs1)[NH+](C)C ZINC000700489242 711994397 /nfs/dbraw/zinc/99/43/97/711994397.db2.gz PKHYRYLVFMHRIC-JTQLQIEISA-N 2 1 212.362 2.178 20 0 BEADMP C([C@H]1CCC[NH2+]1)[N@H+]1CCCC2(CC2)CC1 ZINC000702513847 712054647 /nfs/dbraw/zinc/05/46/47/712054647.db2.gz UKCQWQYPNZHTKV-GFCCVEGCSA-N 2 1 208.349 2.005 20 0 BEADMP C[C@H]1CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000703804425 712088065 /nfs/dbraw/zinc/08/80/65/712088065.db2.gz GHLFIXXZWFNYSY-WODVXLOZSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@H](C[N@H+]1CC[C@@H](C[NH3+])C1)CC(C)(C)C ZINC000709120945 712209334 /nfs/dbraw/zinc/20/93/34/712209334.db2.gz BADAMCPPXGMCIS-RYUDHWBXSA-N 2 1 212.381 2.339 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CC(C)(C)OC1(C)C ZINC000709698154 712216058 /nfs/dbraw/zinc/21/60/58/712216058.db2.gz YTUXCMXFSCHOCV-LBPRGKRZSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1CSCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000379538599 712387774 /nfs/dbraw/zinc/38/77/74/712387774.db2.gz DRSYCTADWCUIAM-QWHCGFSZSA-N 2 1 242.432 2.061 20 0 BEADMP C[N@@H+](C[C@H]1CCC2(CCC2)O1)CC(C)(C)C[NH3+] ZINC000712437661 712430103 /nfs/dbraw/zinc/43/01/03/712430103.db2.gz KDLFJPGNFGKVPW-GFCCVEGCSA-N 2 1 240.391 2.005 20 0 BEADMP CC[C@H]1CCC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000042302636 712720083 /nfs/dbraw/zinc/72/00/83/712720083.db2.gz VLRPNAIXOPDVMM-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@H]1CCC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000042302636 712720087 /nfs/dbraw/zinc/72/00/87/712720087.db2.gz VLRPNAIXOPDVMM-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP COCC(C)(C)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000718662715 712776518 /nfs/dbraw/zinc/77/65/18/712776518.db2.gz AOJCHHBGBCNLRM-STQMWFEESA-N 2 1 242.407 2.121 20 0 BEADMP C[C@H]1CC[N@@H+](CCCCCCC[NH3+])CCO1 ZINC000719780205 712824920 /nfs/dbraw/zinc/82/49/20/712824920.db2.gz VNUGHENREBEJGQ-ZDUSSCGKSA-N 2 1 228.380 2.006 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000723075314 710724682 /nfs/dbraw/zinc/72/46/82/710724682.db2.gz APBFFVOJZHZJCN-XQQFMLRXSA-N 2 1 210.365 2.093 20 0 BEADMP C[C@H]1SCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000381825926 710724921 /nfs/dbraw/zinc/72/49/21/710724921.db2.gz MHNOWAFARQPAGV-XYTAGDGMSA-N 2 1 240.416 2.095 20 0 BEADMP Cc1ccccc1OCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723669332 710731795 /nfs/dbraw/zinc/73/17/95/710731795.db2.gz HPZGQECYCWJSLQ-AWEZNQCLSA-N 2 1 248.370 2.045 20 0 BEADMP C[C@]1(C[N@H+]2CCC3(CCC3)C2)CCC[NH2+]C1 ZINC000380534490 712901294 /nfs/dbraw/zinc/90/12/94/712901294.db2.gz NAWZWCAYTRBMFD-ZDUSSCGKSA-N 2 1 222.376 2.252 20 0 BEADMP C[C@@H]1OCC[N@@H+](CCCCCCC[NH3+])[C@H]1C ZINC000380492811 712901389 /nfs/dbraw/zinc/90/13/89/712901389.db2.gz AYTFQNFSUKSUIY-STQMWFEESA-N 2 1 228.380 2.005 20 0 BEADMP C[C@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000384298959 710868858 /nfs/dbraw/zinc/86/88/58/710868858.db2.gz HXRAAUPWNWIZOR-VNQPRFMTSA-N 2 1 244.382 2.331 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000385182923 711006922 /nfs/dbraw/zinc/00/69/22/711006922.db2.gz PIJJKLZRHSZHHV-UONOGXRCSA-N 2 1 232.371 2.461 20 0 BEADMP C[C@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000385182930 711006954 /nfs/dbraw/zinc/00/69/54/711006954.db2.gz PIJJKLZRHSZHHV-ZIAGYGMSSA-N 2 1 232.371 2.461 20 0 BEADMP C[C@@H]([N@@H+](C)C[C@]1(C)CCC[NH2+]C1)C1(C)CC1 ZINC000385467754 711013078 /nfs/dbraw/zinc/01/30/78/711013078.db2.gz ORWSYBSOILDMJJ-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)[N@H+](CC(F)F)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000386999718 711039613 /nfs/dbraw/zinc/03/96/13/711039613.db2.gz FDBFGVNVDSBPAA-ZJUUUORDSA-N 2 1 220.307 2.089 20 0 BEADMP CC(C)[N@@H+](CC(F)F)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000386999718 711039615 /nfs/dbraw/zinc/03/96/15/711039615.db2.gz FDBFGVNVDSBPAA-ZJUUUORDSA-N 2 1 220.307 2.089 20 0 BEADMP C[N@H+](CCCCCCC[NH3+])Cc1nccs1 ZINC000387315126 711042018 /nfs/dbraw/zinc/04/20/18/711042018.db2.gz OTTGXFUDEYTNSX-UHFFFAOYSA-N 2 1 241.404 2.484 20 0 BEADMP C[N@@H+](CCCCCCC[NH3+])Cc1nccs1 ZINC000387315126 711042024 /nfs/dbraw/zinc/04/20/24/711042024.db2.gz OTTGXFUDEYTNSX-UHFFFAOYSA-N 2 1 241.404 2.484 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000387697713 711045775 /nfs/dbraw/zinc/04/57/75/711045775.db2.gz JTGGIYYZNKMFBA-HZSPNIEDSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000387697713 711045777 /nfs/dbraw/zinc/04/57/77/711045777.db2.gz JTGGIYYZNKMFBA-HZSPNIEDSA-N 2 1 224.392 2.495 20 0 BEADMP CC1(C)C[N@H+](CCC2CCCC2)C[C@@H]1[NH3+] ZINC000388085856 711052243 /nfs/dbraw/zinc/05/22/43/711052243.db2.gz PQNJKBVVVSDXMM-LBPRGKRZSA-N 2 1 210.365 2.236 20 0 BEADMP CC1(C)C[N@@H+](CCC2CCCC2)C[C@@H]1[NH3+] ZINC000388085856 711052247 /nfs/dbraw/zinc/05/22/47/711052247.db2.gz PQNJKBVVVSDXMM-LBPRGKRZSA-N 2 1 210.365 2.236 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)C/C=C\Cl ZINC000388454645 711061151 /nfs/dbraw/zinc/06/11/51/711061151.db2.gz WFLOSOMPCZUQPT-AYYIZTPMSA-N 2 1 204.745 2.044 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C/C=C\Cl ZINC000388454645 711061154 /nfs/dbraw/zinc/06/11/54/711061154.db2.gz WFLOSOMPCZUQPT-AYYIZTPMSA-N 2 1 204.745 2.044 20 0 BEADMP CC(C)[C@@H]1CCC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000389668975 711084891 /nfs/dbraw/zinc/08/48/91/711084891.db2.gz SJKUAHWRFHJXTG-ZJUUUORDSA-N 2 1 220.307 2.089 20 0 BEADMP CC[C@@H]1C[N@@H+](CCCC2CC2)CC[C@@H]1[NH3+] ZINC000394569086 711195179 /nfs/dbraw/zinc/19/51/79/711195179.db2.gz PDFMDFMPYRTMJC-OLZOCXBDSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1CC[N@@H+](CCCC2CC2)C[C@H]1C[NH3+] ZINC000394668596 711196921 /nfs/dbraw/zinc/19/69/21/711196921.db2.gz RAZGDHCSDURKLG-DGCLKSJQSA-N 2 1 210.365 2.093 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccccc1F ZINC000396539644 711353044 /nfs/dbraw/zinc/35/30/44/711353044.db2.gz ACEJQUKJAVSSPS-FZMZJTMJSA-N 2 1 236.334 2.098 20 0 BEADMP Cc1cccc(CC[NH2+][C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000396535804 711354252 /nfs/dbraw/zinc/35/42/52/711354252.db2.gz JBOYDGQXQJCTQS-DZGCQCFKSA-N 2 1 232.371 2.268 20 0 BEADMP Cc1ccccc1CC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396566351 711355764 /nfs/dbraw/zinc/35/57/64/711355764.db2.gz VVHMUSNIHGWIGZ-DZGCQCFKSA-N 2 1 232.371 2.268 20 0 BEADMP CCC1(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)CCC1 ZINC000396638437 711356018 /nfs/dbraw/zinc/35/60/18/711356018.db2.gz AMJMHTPWXQKBLL-NWDGAFQWSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000396584578 711356776 /nfs/dbraw/zinc/35/67/76/711356776.db2.gz GZIPDPUSTJDSRJ-HBNTYKKESA-N 2 1 232.318 2.152 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000396589141 711356815 /nfs/dbraw/zinc/35/68/15/711356815.db2.gz BLYKYBIXJRVIBE-QJPTWQEYSA-N 2 1 208.349 2.049 20 0 BEADMP CC(C)C1(C[NH2+][C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396703513 711365963 /nfs/dbraw/zinc/36/59/63/711365963.db2.gz LUUKNPROTGXGES-RYUDHWBXSA-N 2 1 210.365 2.153 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000723091634 711501644 /nfs/dbraw/zinc/50/16/44/711501644.db2.gz DDAGIERMTNCFOM-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CO[C@@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000382366589 711503335 /nfs/dbraw/zinc/50/33/35/711503335.db2.gz XZADMMOQHNPRKP-ZFWWWQNUSA-N 2 1 248.370 2.045 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000723106495 711504242 /nfs/dbraw/zinc/50/42/42/711504242.db2.gz MOFQPXWZTMTOCU-HZSPNIEDSA-N 2 1 222.376 2.108 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000723126405 711506541 /nfs/dbraw/zinc/50/65/41/711506541.db2.gz JDTBEXNKZSKIJI-QMVSFRDZSA-N 2 1 222.376 2.092 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c(C)c1 ZINC000723669943 711533220 /nfs/dbraw/zinc/53/32/20/711533220.db2.gz MGMJJYWAOWCYTL-CQSZACIVSA-N 2 1 232.371 2.474 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)ccc1F ZINC000723669550 711533539 /nfs/dbraw/zinc/53/35/39/711533539.db2.gz JKAUGJXVIBUSBB-LBPRGKRZSA-N 2 1 236.334 2.305 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723678359 711533939 /nfs/dbraw/zinc/53/39/39/711533939.db2.gz JZZPOORMCCEWGF-RDBSUJKOSA-N 2 1 224.392 2.483 20 0 BEADMP Cc1cc(C)nc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000723877630 711542168 /nfs/dbraw/zinc/54/21/68/711542168.db2.gz XDTPCUYTHGCNKI-OLZOCXBDSA-N 2 1 233.359 2.010 20 0 BEADMP Cc1cc(C)nc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000723877630 711542170 /nfs/dbraw/zinc/54/21/70/711542170.db2.gz XDTPCUYTHGCNKI-OLZOCXBDSA-N 2 1 233.359 2.010 20 0 BEADMP C[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1CC[NH3+] ZINC000723892014 711543978 /nfs/dbraw/zinc/54/39/78/711543978.db2.gz SPARJNMWOXNVGA-TZMCWYRMSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@@H](c1ccncc1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723890788 711544144 /nfs/dbraw/zinc/54/41/44/711544144.db2.gz IGELBUWASAUJSH-MBNYWOFBSA-N 2 1 233.359 2.059 20 0 BEADMP CO[C@H]1CC[C@@H]1[N@@H+](C)CCCCCCC[NH3+] ZINC000724205276 711569349 /nfs/dbraw/zinc/56/93/49/711569349.db2.gz ADUPICYPVHOILN-STQMWFEESA-N 2 1 228.380 2.005 20 0 BEADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccnnc1 ZINC000926559852 711646688 /nfs/dbraw/zinc/64/66/88/711646688.db2.gz PJHBOMFFVNAMPB-GFCCVEGCSA-N 2 1 248.374 2.002 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926567526 711651603 /nfs/dbraw/zinc/65/16/03/711651603.db2.gz HUWNKQTVQJHODL-DGAVXFQQSA-N 2 1 222.376 2.105 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926567526 711651604 /nfs/dbraw/zinc/65/16/04/711651604.db2.gz HUWNKQTVQJHODL-DGAVXFQQSA-N 2 1 222.376 2.105 20 0 BEADMP C[C@H](Cc1ccco1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925604850 711704782 /nfs/dbraw/zinc/70/47/82/711704782.db2.gz AUZFTLWTICUOQQ-DGCLKSJQSA-N 2 1 234.343 2.085 20 0 BEADMP C[C@@H](Cc1ccco1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925604851 711704991 /nfs/dbraw/zinc/70/49/91/711704991.db2.gz AUZFTLWTICUOQQ-WCQYABFASA-N 2 1 234.343 2.085 20 0 BEADMP C[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccn1 ZINC000925714082 711712227 /nfs/dbraw/zinc/71/22/27/711712227.db2.gz NOVJDYRXKQYSJY-OCCSQVGLSA-N 2 1 245.370 2.059 20 0 BEADMP Cc1ccccc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000160064684 711805531 /nfs/dbraw/zinc/80/55/31/711805531.db2.gz NBFSZIUAWIFNAF-CYBMUJFWSA-N 2 1 218.344 2.166 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000160042536 711805671 /nfs/dbraw/zinc/80/56/71/711805671.db2.gz AZHVIAQPDDHXMT-ZDUSSCGKSA-N 2 1 218.344 2.166 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000706428795 711914210 /nfs/dbraw/zinc/91/42/10/711914210.db2.gz AQLYKZISHOXWTA-XQQFMLRXSA-N 2 1 210.365 2.249 20 0 BEADMP CSC[C@@H]1CCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000700271375 711989444 /nfs/dbraw/zinc/98/94/44/711989444.db2.gz AVROYTOTEGKLJQ-OLZOCXBDSA-N 2 1 242.432 2.204 20 0 BEADMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@H]2CCC=CO2)C1 ZINC000700812279 712006816 /nfs/dbraw/zinc/00/68/16/712006816.db2.gz HRXWHALCXXTDFG-UONOGXRCSA-N 2 1 238.375 2.001 20 0 BEADMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000700812276 712007020 /nfs/dbraw/zinc/00/70/20/712007020.db2.gz HRXWHALCXXTDFG-KBPBESRZSA-N 2 1 238.375 2.001 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CC2(C)C)CC[N@H+]1C ZINC000701980778 712034508 /nfs/dbraw/zinc/03/45/08/712034508.db2.gz JZWZZYPDMXUBJA-MBNYWOFBSA-N 2 1 224.392 2.495 20 0 BEADMP Cc1cc(C[N@@H+](C)CCCCCC[NH3+])ccn1 ZINC000703158678 712066675 /nfs/dbraw/zinc/06/66/75/712066675.db2.gz GCSXYHIHMQNTTR-UHFFFAOYSA-N 2 1 235.375 2.341 20 0 BEADMP C[C@H]1CCCC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000703251663 712069776 /nfs/dbraw/zinc/06/97/76/712069776.db2.gz LLXDAIPUPMVANR-VHSXEESVSA-N 2 1 220.307 2.091 20 0 BEADMP C[C@H]1CCCC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000703251663 712069779 /nfs/dbraw/zinc/06/97/79/712069779.db2.gz LLXDAIPUPMVANR-VHSXEESVSA-N 2 1 220.307 2.091 20 0 BEADMP C[C@H](C[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1)C(C)(C)C ZINC000703441033 712075454 /nfs/dbraw/zinc/07/54/54/712075454.db2.gz ZAXINSMIMCYVSX-UTUOFQBUSA-N 2 1 212.381 2.338 20 0 BEADMP CSC1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000706927320 712161858 /nfs/dbraw/zinc/16/18/58/712161858.db2.gz GSQRQQHTWZHUQP-IGJPJIBNSA-N 2 1 240.416 2.097 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@H](C[NH3+])C1)CC(C)(C)C ZINC000709120949 712209227 /nfs/dbraw/zinc/20/92/27/712209227.db2.gz BADAMCPPXGMCIS-VXGBXAGGSA-N 2 1 212.381 2.339 20 0 BEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCCCC1)C2 ZINC000709824567 712228630 /nfs/dbraw/zinc/22/86/30/712228630.db2.gz FKWDJNUOXWHOMJ-IHRRRGAJSA-N 2 1 222.376 2.378 20 0 BEADMP C1=CCC(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000709919932 712232706 /nfs/dbraw/zinc/23/27/06/712232706.db2.gz OAGSLJOBUOKMOK-AWEZNQCLSA-N 2 1 220.360 2.028 20 0 BEADMP C[C@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C(C)(C)C ZINC000710720033 712255475 /nfs/dbraw/zinc/25/54/75/712255475.db2.gz MCNNFYDAQMKNOB-FRRDWIJNSA-N 2 1 224.392 2.210 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711168756 712287687 /nfs/dbraw/zinc/28/76/87/712287687.db2.gz QABKNUYRAWABTC-BTTYYORXSA-N 2 1 233.359 2.360 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711417447 712299168 /nfs/dbraw/zinc/29/91/68/712299168.db2.gz VWQFIXDFWMODNR-NWDGAFQWSA-N 2 1 216.344 2.041 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](CF)C1 ZINC000711417447 712299170 /nfs/dbraw/zinc/29/91/70/712299170.db2.gz VWQFIXDFWMODNR-NWDGAFQWSA-N 2 1 216.344 2.041 20 0 BEADMP [NH3+]CCCCCCC[N@H+]1CC[C@@H](CF)C1 ZINC000711497431 712306977 /nfs/dbraw/zinc/30/69/77/712306977.db2.gz WXHIKFBHYBZOQJ-LBPRGKRZSA-N 2 1 216.344 2.187 20 0 BEADMP C1=C(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCCC1 ZINC000379586839 712389132 /nfs/dbraw/zinc/38/91/32/712389132.db2.gz KTOXJJYWGJIIDK-BTFPBAQTSA-N 2 1 232.371 2.073 20 0 BEADMP C1=C(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCCC1 ZINC000379586841 712389430 /nfs/dbraw/zinc/38/94/30/712389430.db2.gz KTOXJJYWGJIIDK-XPABHHOTSA-N 2 1 232.371 2.073 20 0 BEADMP CC[C@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000379783113 712399048 /nfs/dbraw/zinc/39/90/48/712399048.db2.gz GUGLZUIIEOBDGJ-UWVGGRQHSA-N 2 1 220.307 2.091 20 0 BEADMP Cc1cc(NC[C@H]2CC[N@@H+]2C)c2ccccc2[nH+]1 ZINC000712525122 712440831 /nfs/dbraw/zinc/44/08/31/712440831.db2.gz BKDBYXIFBPXPKK-GFCCVEGCSA-N 2 1 241.338 2.081 20 0 BEADMP Cc1cnccc1C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713140851 712453284 /nfs/dbraw/zinc/45/32/84/712453284.db2.gz OQEWARAKQWYELG-UHFFFAOYSA-N 2 1 245.370 2.108 20 0 BEADMP Cc1cnccc1C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713140851 712453285 /nfs/dbraw/zinc/45/32/85/712453285.db2.gz OQEWARAKQWYELG-UHFFFAOYSA-N 2 1 245.370 2.108 20 0 BEADMP C=C/C=C\CC[N@H+](C)C1CCC([NH3+])CC1 ZINC000713700930 712469333 /nfs/dbraw/zinc/46/93/33/712469333.db2.gz DQFLEKZRVHFDQX-PLNGDYQASA-N 2 1 208.349 2.320 20 0 BEADMP C=C/C=C/CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000713731293 712470857 /nfs/dbraw/zinc/47/08/57/712470857.db2.gz FDRSGQFQADQSIX-ZIRQINBESA-N 2 1 220.360 2.334 20 0 BEADMP C=C/C=C/CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000713741428 712471023 /nfs/dbraw/zinc/47/10/23/712471023.db2.gz UNIIIYURTYLSOC-UCLKDPGMSA-N 2 1 220.360 2.178 20 0 BEADMP C[N@@H+](C[C@@H]1CCCC(C)(C)O1)CC(C)(C)C[NH3+] ZINC000714379847 712480092 /nfs/dbraw/zinc/48/00/92/712480092.db2.gz LUDIVIZJJGKFOA-LBPRGKRZSA-N 2 1 242.407 2.251 20 0 BEADMP CCC1([NH3+])CC[NH+](Cc2ccncc2C)CC1 ZINC000714755650 712497776 /nfs/dbraw/zinc/49/77/76/712497776.db2.gz AHAZOYDYOXKNPK-UHFFFAOYSA-N 2 1 233.359 2.093 20 0 BEADMP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000714921268 712499916 /nfs/dbraw/zinc/49/99/16/712499916.db2.gz XCBZRUYZNAHTAZ-CBBWQLFWSA-N 2 1 234.387 2.106 20 0 BEADMP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000714921268 712499917 /nfs/dbraw/zinc/49/99/17/712499917.db2.gz XCBZRUYZNAHTAZ-CBBWQLFWSA-N 2 1 234.387 2.106 20 0 BEADMP CC[C@H]1C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)CC[C@H]1[NH3+] ZINC000714833107 712501109 /nfs/dbraw/zinc/50/11/09/712501109.db2.gz RZKKEVAVSHJDMS-PMOUVXMZSA-N 2 1 236.403 2.482 20 0 BEADMP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000714853274 712502059 /nfs/dbraw/zinc/50/20/59/712502059.db2.gz XCBZRUYZNAHTAZ-KBXIAJHMSA-N 2 1 234.387 2.106 20 0 BEADMP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000714853274 712502060 /nfs/dbraw/zinc/50/20/60/712502060.db2.gz XCBZRUYZNAHTAZ-KBXIAJHMSA-N 2 1 234.387 2.106 20 0 BEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccns2)C1 ZINC000715545409 712527443 /nfs/dbraw/zinc/52/74/43/712527443.db2.gz WOMJTEHJXITITK-WDEREUQCSA-N 2 1 239.388 2.106 20 0 BEADMP CCc1cc(N[C@H](C)C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC000716619876 712567539 /nfs/dbraw/zinc/56/75/39/712567539.db2.gz LPNPMFCXVPXORM-SNVBAGLBSA-N 2 1 248.374 2.147 20 0 BEADMP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000716639565 712568618 /nfs/dbraw/zinc/56/86/18/712568618.db2.gz VZPXEEGEBCECHF-VTMBPIDISA-N 2 1 248.414 2.495 20 0 BEADMP C[N@@H+](CCCF)CCCC1CC[NH2+]CC1 ZINC000716807137 712575933 /nfs/dbraw/zinc/57/59/33/712575933.db2.gz AIQNQJFNUDWDIM-UHFFFAOYSA-N 2 1 216.344 2.058 20 0 BEADMP CC1([NH2+]C[C@@H]([NH3+])CC(F)F)CCCCC1 ZINC000379994377 712645267 /nfs/dbraw/zinc/64/52/67/712645267.db2.gz ZIPKXACUTFOOKK-VIFPVBQESA-N 2 1 220.307 2.281 20 0 BEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CC=CC1 ZINC000717321457 712649026 /nfs/dbraw/zinc/64/90/26/712649026.db2.gz OVSJIJCYFUZCNI-AGUYFDCRSA-N 2 1 220.360 2.297 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H]2C)C1 ZINC000379998802 712651559 /nfs/dbraw/zinc/65/15/59/712651559.db2.gz LIUIRKUBVWPABZ-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP Cn1c[nH+]cc1CCC[NH2+]C1(C2CC2)CCC1 ZINC000717815585 712680988 /nfs/dbraw/zinc/68/09/88/712680988.db2.gz YOEQYUINOCVNEI-UHFFFAOYSA-N 2 1 233.359 2.275 20 0 BEADMP CC(C)[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCS1 ZINC000718015618 712736710 /nfs/dbraw/zinc/73/67/10/712736710.db2.gz WBKHHBGFPARRKT-FRRDWIJNSA-N 2 1 242.432 2.187 20 0 BEADMP C[N@@H+](CCCC(C)(F)F)CC(C)(C)[NH3+] ZINC000718613048 712773555 /nfs/dbraw/zinc/77/35/55/712773555.db2.gz SNUYWSWVRHTQAJ-UHFFFAOYSA-N 2 1 208.296 2.091 20 0 BEADMP CC(F)(F)CCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000718639109 712776278 /nfs/dbraw/zinc/77/62/78/712776278.db2.gz ASUVOQXFKKKWMV-SNVBAGLBSA-N 2 1 220.307 2.093 20 0 BEADMP CSCC1CC[NH+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000719222072 712800135 /nfs/dbraw/zinc/80/01/35/712800135.db2.gz VBRJWUKQPLGOQD-CYBMUJFWSA-N 2 1 244.448 2.435 20 0 BEADMP CC(C)CC[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720806741 712867140 /nfs/dbraw/zinc/86/71/40/712867140.db2.gz RAOPMJCQJXMOQS-VHSXEESVSA-N 2 1 238.297 2.102 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(C)CC(F)(F)C1 ZINC000720902317 712876204 /nfs/dbraw/zinc/87/62/04/712876204.db2.gz VVKCLCZDHKKYBR-NXEZZACHSA-N 2 1 232.318 2.152 20 0 BEADMP Cc1cc(C)[nH+]c(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC001164631617 719152020 /nfs/dbraw/zinc/15/20/20/719152020.db2.gz NZGZRMVTMDNIGN-STQMWFEESA-N 2 1 233.359 2.227 20 0 BEADMP Cc1cc(C)[nH+]c(N2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC001164631617 719152025 /nfs/dbraw/zinc/15/20/25/719152025.db2.gz NZGZRMVTMDNIGN-STQMWFEESA-N 2 1 233.359 2.227 20 0 BEADMP CS[C@@H](C)CC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001208141240 957014457 /nfs/dbraw/zinc/01/44/57/957014457.db2.gz JSPYFSKWSDDVMJ-LBPRGKRZSA-N 2 1 244.448 2.402 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC23CCCCC3)C[NH2+]1 ZINC000399013774 958481131 /nfs/dbraw/zinc/48/11/31/958481131.db2.gz ZYMMFMHIIBYHMK-FRRDWIJNSA-N 2 1 222.376 2.439 20 0 BEADMP CCC(CC)C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000308846795 959526835 /nfs/dbraw/zinc/52/68/35/959526835.db2.gz LPOARYKWNJFOKF-ZDUSSCGKSA-N 2 1 212.381 2.483 20 0 BEADMP CC(C)[N@H+](C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140800082 960593931 /nfs/dbraw/zinc/59/39/31/960593931.db2.gz SYUDMIMCJVFPCI-UHFFFAOYSA-N 2 1 203.289 2.403 20 0 BEADMP CC(C)[N@@H+](C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140800082 960593946 /nfs/dbraw/zinc/59/39/46/960593946.db2.gz SYUDMIMCJVFPCI-UHFFFAOYSA-N 2 1 203.289 2.403 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167898232 961529460 /nfs/dbraw/zinc/52/94/60/961529460.db2.gz QDGXRGHPYIDNCU-MQYQWHSLSA-N 2 1 222.376 2.106 20 0 BEADMP CC1(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CCCCC1 ZINC001235166334 966023656 /nfs/dbraw/zinc/02/36/56/966023656.db2.gz RICTZLRAHPNZRH-GXTWGEPZSA-N 2 1 222.376 2.380 20 0 BEADMP CC[C@H]1CCCC[N@H+]1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235926347 966165254 /nfs/dbraw/zinc/16/52/54/966165254.db2.gz ZPGVBXOGNFINIP-STQMWFEESA-N 2 1 240.391 2.366 20 0 BEADMP CC1(C[NH3+])C[NH+](CC2CCC(F)(F)CC2)C1 ZINC001206712173 966259812 /nfs/dbraw/zinc/25/98/12/966259812.db2.gz VIKMAYDUDSYSQK-UHFFFAOYSA-N 2 1 232.318 2.093 20 0 BEADMP C[C@@H]1CCC[C@@H](C)[NH+]1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001204598064 967098007 /nfs/dbraw/zinc/09/80/07/967098007.db2.gz GCOHTKRXOYZGGR-UPJWGTAASA-N 2 1 240.391 2.364 20 0 BEADMP c1cncc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC000249911893 1165831940 /nfs/dbraw/zinc/83/19/40/1165831940.db2.gz OMDWRBNDAQWOAO-ZFWWWQNUSA-N 2 1 245.370 2.218 20 0 BEADMP Cc1csc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205102631 967346585 /nfs/dbraw/zinc/34/65/85/967346585.db2.gz UWUBOUPYXSNAAX-LLVKDONJSA-N 2 1 224.373 2.370 20 0 BEADMP CSCC[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000707909434 967388555 /nfs/dbraw/zinc/38/85/55/967388555.db2.gz HXMJSQJESRDPSZ-RYUDHWBXSA-N 2 1 230.421 2.202 20 0 BEADMP C[C@@H]1c2ccccc2CC[N@@H+]1CCCC[NH3+] ZINC001205164927 967404942 /nfs/dbraw/zinc/40/49/42/967404942.db2.gz WNFYGEBJVWXEDP-GFCCVEGCSA-N 2 1 218.344 2.345 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)s1 ZINC000700631480 967803588 /nfs/dbraw/zinc/80/35/88/967803588.db2.gz PFLUSYQIKIZTGN-LLVKDONJSA-N 2 1 238.400 2.481 20 0 BEADMP C[C@@H]1C[N@@H+](CC(C)(C)C)CCC[C@@H]1C[NH3+] ZINC001205981144 967918905 /nfs/dbraw/zinc/91/89/05/967918905.db2.gz BXWMJAUPGZPUKG-VXGBXAGGSA-N 2 1 212.381 2.339 20 0 BEADMP Cc1cccc2c1C[N@@H+](CCCC[NH3+])C2 ZINC001206082475 968054190 /nfs/dbraw/zinc/05/41/90/968054190.db2.gz ZTKNQMNFEHRIHT-UHFFFAOYSA-N 2 1 204.317 2.050 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206295633 968202966 /nfs/dbraw/zinc/20/29/66/968202966.db2.gz MKAHFTZPPDOLCF-JHJVBQTASA-N 2 1 210.365 2.093 20 0 BEADMP COC(C)(C)CC[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206295764 968200526 /nfs/dbraw/zinc/20/05/26/968200526.db2.gz NJKYYQVRQYUWSO-AWEZNQCLSA-N 2 1 242.407 2.252 20 0 BEADMP CC(C)[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC000167270761 1165964340 /nfs/dbraw/zinc/96/43/40/1165964340.db2.gz JQMXQOZRJXDLKH-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000693336418 1166029810 /nfs/dbraw/zinc/02/98/10/1166029810.db2.gz HOVQZPWVABSQQA-WRWGMCAJSA-N 2 1 246.345 2.241 20 0 BEADMP CC1CC([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC000389566934 1166032098 /nfs/dbraw/zinc/03/20/98/1166032098.db2.gz ABYHRDJLDTZVOC-TYUFSLCMSA-N 2 1 210.365 2.247 20 0 BEADMP [NH3+]CCCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000082790932 1166079301 /nfs/dbraw/zinc/07/93/01/1166079301.db2.gz NIWLLAPDKRVBQY-UHFFFAOYSA-N 2 1 238.762 2.437 20 0 BEADMP CCC[N@@H+](CC)CCC1CC[NH+](C)CC1 ZINC001207480083 968799103 /nfs/dbraw/zinc/79/91/03/968799103.db2.gz TZKUESUPKMAQJM-UHFFFAOYSA-N 2 1 212.381 2.450 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC000129189031 1166159797 /nfs/dbraw/zinc/15/97/97/1166159797.db2.gz UNRGAQPCHRQAEI-KGLIPLIRSA-N 2 1 224.392 2.497 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000129188794 1166159937 /nfs/dbraw/zinc/15/99/37/1166159937.db2.gz UNRGAQPCHRQAEI-ZIAGYGMSSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CCc2cccs2)C[NH2+]1 ZINC000399240334 1166174194 /nfs/dbraw/zinc/17/41/94/1166174194.db2.gz INSRJERSQMHBNI-MNOVXSKESA-N 2 1 224.373 2.021 20 0 BEADMP C[C@@H]1C[C@H](F)C[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208108603 969000936 /nfs/dbraw/zinc/00/09/36/969000936.db2.gz WRRMUQWUDUQTGM-NEPJUHHUSA-N 2 1 228.355 2.151 20 0 BEADMP CSCC[N@@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208110846 969009478 /nfs/dbraw/zinc/00/94/78/969009478.db2.gz HIPIYLOMHWBGSD-UHFFFAOYSA-N 2 1 230.421 2.013 20 0 BEADMP CS[C@@H](C)CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001208145585 969064543 /nfs/dbraw/zinc/06/45/43/969064543.db2.gz YNJPVISGSXKICW-XQQFMLRXSA-N 2 1 242.432 2.012 20 0 BEADMP CS[C@@H](C)CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001208145585 969064551 /nfs/dbraw/zinc/06/45/51/969064551.db2.gz YNJPVISGSXKICW-XQQFMLRXSA-N 2 1 242.432 2.012 20 0 BEADMP CS[C@@H](C)CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001208145585 969064561 /nfs/dbraw/zinc/06/45/61/969064561.db2.gz YNJPVISGSXKICW-XQQFMLRXSA-N 2 1 242.432 2.012 20 0 BEADMP C[N@H+]1CC[C@]2(C1)CCCN(c1cc[nH+]cc1)C2 ZINC000224244296 1166219051 /nfs/dbraw/zinc/21/90/51/1166219051.db2.gz MPNOVHORSSFHBA-AWEZNQCLSA-N 2 1 231.343 2.004 20 0 BEADMP CCC(CC)[N@@H+](CC)C[C@H](O)C[NH+](CC)CC ZINC001253188413 969106101 /nfs/dbraw/zinc/10/61/01/969106101.db2.gz YAAVYMJFCCIXAY-CQSZACIVSA-N 2 1 244.423 2.200 20 0 BEADMP CCC1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208608206 969146580 /nfs/dbraw/zinc/14/65/80/969146580.db2.gz RZJPWTZJOZBNDH-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH+](C)C2)CCC1(F)F ZINC001208609272 969147545 /nfs/dbraw/zinc/14/75/45/969147545.db2.gz ZYJZLEJZRJHNIO-NEPJUHHUSA-N 2 1 246.345 2.305 20 0 BEADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@H+](C)C2)CCC1(F)F ZINC001208609272 969147551 /nfs/dbraw/zinc/14/75/51/969147551.db2.gz ZYJZLEJZRJHNIO-NEPJUHHUSA-N 2 1 246.345 2.305 20 0 BEADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](C)C2)CCC1(F)F ZINC001208609272 969147558 /nfs/dbraw/zinc/14/75/58/969147558.db2.gz ZYJZLEJZRJHNIO-NEPJUHHUSA-N 2 1 246.345 2.305 20 0 BEADMP C[C@@H]1CCC[N@H+](C[C@H]2CCC[NH+](C)C2)[C@@H]1C ZINC001208610188 969171592 /nfs/dbraw/zinc/17/15/92/969171592.db2.gz ZQENPLKDWSZHLX-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH+](C)C2)[C@@H]1C ZINC001208610188 969171597 /nfs/dbraw/zinc/17/15/97/969171597.db2.gz ZQENPLKDWSZHLX-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CCC[NH+](C[C@H]2CCC[N@H+](C)C2)[C@@H]1C ZINC001208610188 969171600 /nfs/dbraw/zinc/17/16/00/969171600.db2.gz ZQENPLKDWSZHLX-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CCC[NH+](C[C@H]2CCC[N@@H+](C)C2)[C@@H]1C ZINC001208610188 969171605 /nfs/dbraw/zinc/17/16/05/969171605.db2.gz ZQENPLKDWSZHLX-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP Cc1cc(C)cc(C[N@@H+]2C[C@H](C)C[C@@H]([NH3+])C2)c1 ZINC000227677099 1166264475 /nfs/dbraw/zinc/26/44/75/1166264475.db2.gz HLTUVKOYFHJCSE-UKRRQHHQSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2C[C@H](C)C[C@@H]([NH3+])C2)c1 ZINC000227677099 1166264483 /nfs/dbraw/zinc/26/44/83/1166264483.db2.gz HLTUVKOYFHJCSE-UKRRQHHQSA-N 2 1 232.371 2.473 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@H+](C)C[C@@H]1CCCCO1 ZINC001207285370 1166272976 /nfs/dbraw/zinc/27/29/76/1166272976.db2.gz IITLRCSTTFDZRJ-ZDUSSCGKSA-N 2 1 242.407 2.075 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@@H+](C)C[C@@H]1CCCCO1 ZINC001207285370 1166272984 /nfs/dbraw/zinc/27/29/84/1166272984.db2.gz IITLRCSTTFDZRJ-ZDUSSCGKSA-N 2 1 242.407 2.075 20 0 BEADMP CC[C@H]1CN(c2cc(C)[nH+]c(C)n2)[C@@H](CC)C[NH2+]1 ZINC000086466405 1166278182 /nfs/dbraw/zinc/27/81/82/1166278182.db2.gz PNXKHVHSLZYFPS-STQMWFEESA-N 2 1 248.374 2.060 20 0 BEADMP CCCCC[C@H](O)C[N@@H+](CC)CCC[NH+](C)C ZINC001253540538 969210997 /nfs/dbraw/zinc/21/09/97/969210997.db2.gz FIYKEFJNKVNPFP-AWEZNQCLSA-N 2 1 244.423 2.201 20 0 BEADMP CC/C=C\CC[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001208733023 969217055 /nfs/dbraw/zinc/21/70/55/969217055.db2.gz AOHOZPHBRQQQJX-YOQOKRQFSA-N 2 1 222.376 2.226 20 0 BEADMP CC/C=C\CC[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001208733023 969217060 /nfs/dbraw/zinc/21/70/60/969217060.db2.gz AOHOZPHBRQQQJX-YOQOKRQFSA-N 2 1 222.376 2.226 20 0 BEADMP CC/C=C\CC[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001208733023 969217067 /nfs/dbraw/zinc/21/70/67/969217067.db2.gz AOHOZPHBRQQQJX-YOQOKRQFSA-N 2 1 222.376 2.226 20 0 BEADMP CC/C=C\CC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001208730482 969218039 /nfs/dbraw/zinc/21/80/39/969218039.db2.gz WMIDUFAUTZFMSY-ARJAWSKDSA-N 2 1 219.332 2.098 20 0 BEADMP CC/C=C\CC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001208730482 969218052 /nfs/dbraw/zinc/21/80/52/969218052.db2.gz WMIDUFAUTZFMSY-ARJAWSKDSA-N 2 1 219.332 2.098 20 0 BEADMP CC[N@H+](C)C1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC001208885912 969275381 /nfs/dbraw/zinc/27/53/81/969275381.db2.gz ROUDYPFAQQPAEG-CQSZACIVSA-N 2 1 238.375 2.095 20 0 BEADMP CC[N@@H+](C)C1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC001208885912 969275392 /nfs/dbraw/zinc/27/53/92/969275392.db2.gz ROUDYPFAQQPAEG-CQSZACIVSA-N 2 1 238.375 2.095 20 0 BEADMP CC[C@H](C[C@@H](C)CC)[N@@H+](C)CCC[NH3+] ZINC000227744761 1166308194 /nfs/dbraw/zinc/30/81/94/1166308194.db2.gz NYICZAMSKZTNLI-NWDGAFQWSA-N 2 1 200.370 2.482 20 0 BEADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000226598143 1166310686 /nfs/dbraw/zinc/31/06/86/1166310686.db2.gz DZKMQXVZBMIEBF-MJBXVCDLSA-N 2 1 224.392 2.482 20 0 BEADMP [NH3+]CCC[N@@H+](C1CCCCC1)[C@@H]1CCCOC1 ZINC000224833550 1166337188 /nfs/dbraw/zinc/33/71/88/1166337188.db2.gz JZLVPYNVCSLTOD-CQSZACIVSA-N 2 1 240.391 2.149 20 0 BEADMP CCCC[N@@H+](C)CCC[NH2+]C[C@H](O)C(C)(C)C ZINC001253740862 969362424 /nfs/dbraw/zinc/36/24/24/969362424.db2.gz LLVHNTXXFKQNJT-ZDUSSCGKSA-N 2 1 244.423 2.105 20 0 BEADMP CC[C@@H](C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078819 969398212 /nfs/dbraw/zinc/39/82/12/969398212.db2.gz HNSQLEUDVURXFO-FVCCEPFGSA-N 2 1 210.365 2.247 20 0 BEADMP CCC[N@@H+](CCCCOC)CCC[NH+](C)C ZINC001209219203 969406190 /nfs/dbraw/zinc/40/61/90/969406190.db2.gz FPKISMUTUOZSFC-UHFFFAOYSA-N 2 1 230.396 2.077 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C)(C)C1)C2 ZINC001169139380 969444540 /nfs/dbraw/zinc/44/45/40/969444540.db2.gz BNKRUECPPNNYTB-ITGUQSILSA-N 2 1 222.376 2.344 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC(C)(C)C1)C2 ZINC001169139380 969444547 /nfs/dbraw/zinc/44/45/47/969444547.db2.gz BNKRUECPPNNYTB-ITGUQSILSA-N 2 1 222.376 2.344 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC(C)(C)C1)C2 ZINC001169139380 969444555 /nfs/dbraw/zinc/44/45/55/969444555.db2.gz BNKRUECPPNNYTB-ITGUQSILSA-N 2 1 222.376 2.344 20 0 BEADMP CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](C)C(C)(C)C)C2 ZINC001169141820 969456741 /nfs/dbraw/zinc/45/67/41/969456741.db2.gz YBFSFECCXNSBCN-GDNZZTSVSA-N 2 1 210.365 2.342 20 0 BEADMP C[N@H+]([C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C)C(C)(C)C ZINC001169141820 969456761 /nfs/dbraw/zinc/45/67/61/969456761.db2.gz YBFSFECCXNSBCN-GDNZZTSVSA-N 2 1 210.365 2.342 20 0 BEADMP C[N@@H+]([C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C)C(C)(C)C ZINC001169141820 969456771 /nfs/dbraw/zinc/45/67/71/969456771.db2.gz YBFSFECCXNSBCN-GDNZZTSVSA-N 2 1 210.365 2.342 20 0 BEADMP C[NH+]([C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)(C)C ZINC001169141820 969456782 /nfs/dbraw/zinc/45/67/82/969456782.db2.gz YBFSFECCXNSBCN-GDNZZTSVSA-N 2 1 210.365 2.342 20 0 BEADMP C[NH+]([C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC001169141820 969456792 /nfs/dbraw/zinc/45/67/92/969456792.db2.gz YBFSFECCXNSBCN-GDNZZTSVSA-N 2 1 210.365 2.342 20 0 BEADMP CC(C)(C)CC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000250691872 1166423210 /nfs/dbraw/zinc/42/32/10/1166423210.db2.gz KBPLCYRFBKIEBP-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP C[N@H+](CCOc1ccccc1)[C@H]1CCCC[C@H]1[NH3+] ZINC000252940463 1166428665 /nfs/dbraw/zinc/42/86/65/1166428665.db2.gz ZMXDIYJNVJILBA-CABCVRRESA-N 2 1 248.370 2.267 20 0 BEADMP C[N@@H+](CCOc1ccccc1)[C@H]1CCCC[C@H]1[NH3+] ZINC000252940463 1166428672 /nfs/dbraw/zinc/42/86/72/1166428672.db2.gz ZMXDIYJNVJILBA-CABCVRRESA-N 2 1 248.370 2.267 20 0 BEADMP C[C@@H]1CCC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254516481 969691091 /nfs/dbraw/zinc/69/10/91/969691091.db2.gz MUROCHZCGBCAPW-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1CCC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254516481 969691103 /nfs/dbraw/zinc/69/11/03/969691103.db2.gz MUROCHZCGBCAPW-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1CCC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254516481 969691110 /nfs/dbraw/zinc/69/11/10/969691110.db2.gz MUROCHZCGBCAPW-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP CSC1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254522486 969706762 /nfs/dbraw/zinc/70/67/62/969706762.db2.gz GTFDACRWZJKWTJ-LBPRGKRZSA-N 2 1 242.432 2.298 20 0 BEADMP CC[C@H]1CCC[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254522077 969707902 /nfs/dbraw/zinc/70/79/02/969707902.db2.gz BMSUZWITJLCNIM-QWHCGFSZSA-N 2 1 210.365 2.345 20 0 BEADMP CC[C@H]1CCC[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254522077 969707909 /nfs/dbraw/zinc/70/79/09/969707909.db2.gz BMSUZWITJLCNIM-QWHCGFSZSA-N 2 1 210.365 2.345 20 0 BEADMP CC[C@H]1CCC[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254522077 969707914 /nfs/dbraw/zinc/70/79/14/969707914.db2.gz BMSUZWITJLCNIM-QWHCGFSZSA-N 2 1 210.365 2.345 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(C(F)F)CC2)CC1 ZINC001254526216 969714871 /nfs/dbraw/zinc/71/48/71/969714871.db2.gz PVMJDPQMFXFBSD-GFCCVEGCSA-N 2 1 246.345 2.448 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2CCC3(CCC3)C2)CC1 ZINC001254525189 969723087 /nfs/dbraw/zinc/72/30/87/969723087.db2.gz HFLALUBRHCSESU-CYBMUJFWSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC3(CCC3)C2)CC1 ZINC001254525189 969723095 /nfs/dbraw/zinc/72/30/95/969723095.db2.gz HFLALUBRHCSESU-CYBMUJFWSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC[C@@H]([N@H+]2CCC3(CCC3)C2)CC1 ZINC001254525189 969723104 /nfs/dbraw/zinc/72/31/04/969723104.db2.gz HFLALUBRHCSESU-CYBMUJFWSA-N 2 1 222.376 2.347 20 0 BEADMP CC(C)(C)[C@@H]1CC[N@@H+](CC2(C[NH3+])CCC2)C1 ZINC000166294581 1166554680 /nfs/dbraw/zinc/55/46/80/1166554680.db2.gz JUGVOQXASYHMQA-GFCCVEGCSA-N 2 1 224.392 2.483 20 0 BEADMP Cc1c[nH+]c(CC[NH3+])n1C1CCCCC1 ZINC000107380753 1166577272 /nfs/dbraw/zinc/57/72/72/1166577272.db2.gz KHCFCXPTCCICHO-UHFFFAOYSA-N 2 1 207.321 2.198 20 0 BEADMP CCCC[C@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001255324869 970106126 /nfs/dbraw/zinc/10/61/26/970106126.db2.gz GXOOZGXZFKRSKI-MJBXVCDLSA-N 2 1 224.392 2.449 20 0 BEADMP CCCC[C@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001255324869 970106132 /nfs/dbraw/zinc/10/61/32/970106132.db2.gz GXOOZGXZFKRSKI-MJBXVCDLSA-N 2 1 224.392 2.449 20 0 BEADMP CCCC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001255324869 970106165 /nfs/dbraw/zinc/10/61/65/970106165.db2.gz GXOOZGXZFKRSKI-MJBXVCDLSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@H](Cc1ccccc1F)[NH2+]C(C)(C)C[NH3+] ZINC001255830137 970504070 /nfs/dbraw/zinc/50/40/70/970504070.db2.gz QLLIJPDZMTUTRW-SNVBAGLBSA-N 2 1 224.323 2.084 20 0 BEADMP CC[C@@H](C)C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000228080215 1166750489 /nfs/dbraw/zinc/75/04/89/1166750489.db2.gz YSNBNHRHEXZVCQ-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCOC[C@@H](C)C1 ZINC001255956733 970587655 /nfs/dbraw/zinc/58/76/55/970587655.db2.gz LVSYCTOZMADNKP-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCOC[C@@H](C)C1 ZINC001255956733 970587662 /nfs/dbraw/zinc/58/76/62/970587662.db2.gz LVSYCTOZMADNKP-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC001255955499 970589280 /nfs/dbraw/zinc/58/92/80/970589280.db2.gz AISVVQZQAAOPFB-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCCO[C@H](C)C1 ZINC001255955499 970589283 /nfs/dbraw/zinc/58/92/83/970589283.db2.gz AISVVQZQAAOPFB-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP C[C@H]1C[NH2+]CC[N@@H+](CCCC2CCCC2)C1 ZINC000225275602 1166858593 /nfs/dbraw/zinc/85/85/93/1166858593.db2.gz CNAVHSFXFPDESM-ZDUSSCGKSA-N 2 1 224.392 2.498 20 0 BEADMP CC[C@@H]1CC[C@H](C)[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000304412141 1166914785 /nfs/dbraw/zinc/91/47/85/1166914785.db2.gz YHBPBYOPSRVIBY-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)CC1 ZINC001256203290 970703073 /nfs/dbraw/zinc/70/30/73/970703073.db2.gz UZYYSWGMEHRGQO-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)CC1 ZINC001256203290 970703081 /nfs/dbraw/zinc/70/30/81/970703081.db2.gz UZYYSWGMEHRGQO-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP CN1CCC([N@H+]2CCC3(CCCC3)C2)CC1 ZINC001256207659 970713589 /nfs/dbraw/zinc/71/35/89/970713589.db2.gz REISMQVAGMRMDZ-UHFFFAOYSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC([N@@H+]2CCC3(CCCC3)C2)CC1 ZINC001256207659 970713604 /nfs/dbraw/zinc/71/36/04/970713604.db2.gz REISMQVAGMRMDZ-UHFFFAOYSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC([N@H+]2CCC3(CCCC3)C2)CC1 ZINC001256207659 970713617 /nfs/dbraw/zinc/71/36/17/970713617.db2.gz REISMQVAGMRMDZ-UHFFFAOYSA-N 2 1 222.376 2.347 20 0 BEADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)[C@H](C)C1 ZINC001167924652 1166958617 /nfs/dbraw/zinc/95/86/17/1166958617.db2.gz SGUCNECCPIFXEC-QMIVOQANSA-N 2 1 236.403 2.493 20 0 BEADMP CCSC[C@H](C)[NH2+][C@H]1C[C@H]2CC[N@H+](C1)[C@@H]2C ZINC001173297900 975186621 /nfs/dbraw/zinc/18/66/21/975186621.db2.gz YIEFUVYPKKXLHR-LOWDOPEQSA-N 2 1 242.432 2.200 20 0 BEADMP CCSC[C@H](C)[NH2+][C@H]1C[C@H]2CC[N@@H+](C1)[C@@H]2C ZINC001173297900 975186631 /nfs/dbraw/zinc/18/66/31/975186631.db2.gz YIEFUVYPKKXLHR-LOWDOPEQSA-N 2 1 242.432 2.200 20 0 BEADMP CC1(C)C[C@H]([N@H+]2CCCC[C@H](C[NH3+])C2)CCO1 ZINC000310449326 1167151075 /nfs/dbraw/zinc/15/10/75/1167151075.db2.gz XRJQEQNYZTUYCW-CHWSQXEVSA-N 2 1 240.391 2.005 20 0 BEADMP CC(C)C[C@H](C)[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000308832364 1167202695 /nfs/dbraw/zinc/20/26/95/1167202695.db2.gz UTLLHFQVUMCFIG-WUHRBBMRSA-N 2 1 212.381 2.397 20 0 BEADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CCCC1 ZINC000309032285 1167242333 /nfs/dbraw/zinc/24/23/33/1167242333.db2.gz FOUQPWHXOJIDTJ-STQMWFEESA-N 2 1 210.365 2.391 20 0 BEADMP CC(C)[C@H](C[NH3+])C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000385505075 1167393715 /nfs/dbraw/zinc/39/37/15/1167393715.db2.gz LOWIRHOQTCDEET-NWDGAFQWSA-N 2 1 212.381 2.338 20 0 BEADMP C([C@H]1CCCC[NH2+]1)[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000227167685 1167446436 /nfs/dbraw/zinc/44/64/36/1167446436.db2.gz CYKPDYNGQBVWRG-MJBXVCDLSA-N 2 1 222.376 2.393 20 0 BEADMP CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000149211601 1167448996 /nfs/dbraw/zinc/44/89/96/1167448996.db2.gz SKZMVIXPGZKCKH-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+](C)Cc1cc(F)cc(C[N@H+](C)CCF)c1 ZINC001232151409 977898143 /nfs/dbraw/zinc/89/81/43/977898143.db2.gz NBVJILAAEZQRQW-UHFFFAOYSA-N 2 1 242.313 2.289 20 0 BEADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)CCF)c1 ZINC001232151409 977898146 /nfs/dbraw/zinc/89/81/46/977898146.db2.gz NBVJILAAEZQRQW-UHFFFAOYSA-N 2 1 242.313 2.289 20 0 BEADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2C=CCC2)c2ccccc21 ZINC000698268333 1167643775 /nfs/dbraw/zinc/64/37/75/1167643775.db2.gz WNMUSLHFJSKRSR-GDLCADMTSA-N 2 1 214.312 2.439 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1cccc2c1CCCC2 ZINC001235435761 1167790089 /nfs/dbraw/zinc/79/00/89/1167790089.db2.gz XXALCXNLGVIPCB-UHFFFAOYSA-N 2 1 232.371 2.346 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(C)c1 ZINC001235980811 1167802453 /nfs/dbraw/zinc/80/24/53/1167802453.db2.gz ORSAJOOVXDXXGQ-GJZGRUSLSA-N 2 1 230.355 2.227 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(C)c1 ZINC001235980811 1167802463 /nfs/dbraw/zinc/80/24/63/1167802463.db2.gz ORSAJOOVXDXXGQ-GJZGRUSLSA-N 2 1 230.355 2.227 20 0 BEADMP CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000070643337 978861997 /nfs/dbraw/zinc/86/19/97/978861997.db2.gz DBURVKNRIMMDND-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235007482 978950227 /nfs/dbraw/zinc/95/02/27/978950227.db2.gz OUISFNUOCAIFDM-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP CCCC[C@@H](CC)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235007482 978950234 /nfs/dbraw/zinc/95/02/34/978950234.db2.gz OUISFNUOCAIFDM-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP CC/C=C\CCC[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235166471 978987210 /nfs/dbraw/zinc/98/72/10/978987210.db2.gz SPVOXRZTHYLURZ-RSNNXLNZSA-N 2 1 208.349 2.156 20 0 BEADMP CC/C=C\CCC[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235166471 978987223 /nfs/dbraw/zinc/98/72/23/978987223.db2.gz SPVOXRZTHYLURZ-RSNNXLNZSA-N 2 1 208.349 2.156 20 0 BEADMP C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCC(C)=C[C@@H]2C)C1 ZINC001235829272 979162683 /nfs/dbraw/zinc/16/26/83/979162683.db2.gz POXMSQAFALKAFC-BFHYXJOUSA-N 2 1 222.376 2.273 20 0 BEADMP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCC(C)=C[C@@H]2C)C1 ZINC001235829272 979162690 /nfs/dbraw/zinc/16/26/90/979162690.db2.gz POXMSQAFALKAFC-BFHYXJOUSA-N 2 1 222.376 2.273 20 0 BEADMP CCC1CCC([N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000310528336 1168239694 /nfs/dbraw/zinc/23/96/94/1168239694.db2.gz NMNBTCYWFBRTIS-RAFNIBEQSA-N 2 1 236.403 2.497 20 0 BEADMP CC1=CC[C@@H](CC[N@@H+]2CC[C@@H]([NH3+])C2)C1(C)C ZINC001236166262 979422320 /nfs/dbraw/zinc/42/23/20/979422320.db2.gz CTSAOVUOVATVCX-QWHCGFSZSA-N 2 1 222.376 2.402 20 0 BEADMP CC1=CC[C@@H](CC[N@H+]2CC[C@@H]([NH3+])C2)C1(C)C ZINC001236166262 979422337 /nfs/dbraw/zinc/42/23/37/979422337.db2.gz CTSAOVUOVATVCX-QWHCGFSZSA-N 2 1 222.376 2.402 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+]C1CCCC1 ZINC000134997672 1168255192 /nfs/dbraw/zinc/25/51/92/1168255192.db2.gz YHYPLRJWLGTABZ-UHFFFAOYSA-N 2 1 219.332 2.180 20 0 BEADMP CCC(CC)C[N@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001236325683 979536164 /nfs/dbraw/zinc/53/61/64/979536164.db2.gz BPJBMZFQUJMWDN-AWEZNQCLSA-N 2 1 242.407 2.123 20 0 BEADMP CCC(CC)C[N@@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001236325683 979536176 /nfs/dbraw/zinc/53/61/76/979536176.db2.gz BPJBMZFQUJMWDN-AWEZNQCLSA-N 2 1 242.407 2.123 20 0 BEADMP CCOC(C)(C)C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206542352 979651961 /nfs/dbraw/zinc/65/19/61/979651961.db2.gz YZQQYFHYWJVSSI-AWEZNQCLSA-N 2 1 242.407 2.252 20 0 BEADMP C[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1ccccn1 ZINC000086817251 1168312004 /nfs/dbraw/zinc/31/20/04/1168312004.db2.gz PKUFLGTTXDKMFZ-STQMWFEESA-N 2 1 233.359 2.217 20 0 BEADMP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccccn1 ZINC000086817251 1168312010 /nfs/dbraw/zinc/31/20/10/1168312010.db2.gz PKUFLGTTXDKMFZ-STQMWFEESA-N 2 1 233.359 2.217 20 0 BEADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCOCC1 ZINC001342606646 979838418 /nfs/dbraw/zinc/83/84/18/979838418.db2.gz GQGUDODNBVHASS-MELADBBJSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000037484633 1168418437 /nfs/dbraw/zinc/41/84/37/1168418437.db2.gz BBTVVGXGKRDVLS-AGIUHOORSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)CC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC000037484739 1168418701 /nfs/dbraw/zinc/41/87/01/1168418701.db2.gz ARIUGHDZUNOUIH-QWHCGFSZSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]1CCC[C@H]([N@@H+](C)CCC[NH+](C)C)C1 ZINC000337344930 1168458793 /nfs/dbraw/zinc/45/87/93/1168458793.db2.gz ZMYRPGAQZSZVOK-OLZOCXBDSA-N 2 1 212.381 2.449 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]2C1 ZINC001170752859 1168591594 /nfs/dbraw/zinc/59/15/94/1168591594.db2.gz KXRQJFKTFORZBU-QKGCVVFFSA-N 2 1 248.414 2.305 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]2C1 ZINC001170752859 1168591602 /nfs/dbraw/zinc/59/16/02/1168591602.db2.gz KXRQJFKTFORZBU-QKGCVVFFSA-N 2 1 248.414 2.305 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]2C1 ZINC001170752859 1168591607 /nfs/dbraw/zinc/59/16/07/1168591607.db2.gz KXRQJFKTFORZBU-QKGCVVFFSA-N 2 1 248.414 2.305 20 0 BEADMP CC(C)CC[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC000257690694 1168600119 /nfs/dbraw/zinc/60/01/19/1168600119.db2.gz NMBYORZWJSDGEV-CYBMUJFWSA-N 2 1 210.365 2.251 20 0 BEADMP Cc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(C)o1 ZINC000257693959 1168604868 /nfs/dbraw/zinc/60/48/68/1168604868.db2.gz OGYBLEWISJUQBE-HNNXBMFYSA-N 2 1 248.370 2.472 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(C)o1 ZINC000257693959 1168604873 /nfs/dbraw/zinc/60/48/73/1168604873.db2.gz OGYBLEWISJUQBE-HNNXBMFYSA-N 2 1 248.370 2.472 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CCCOCC1 ZINC001170840339 1168606908 /nfs/dbraw/zinc/60/69/08/1168606908.db2.gz MFQFLFMQAXVQIW-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP C1C[N@@H+]([C@H]2CCCSC2)[C@]2(C1)CCC[NH2+]C2 ZINC000257696482 1168608058 /nfs/dbraw/zinc/60/80/58/1168608058.db2.gz KHNUJBKVWPHHAZ-STQMWFEESA-N 2 1 240.416 2.100 20 0 BEADMP C1C[N@@H+]([C@@H]2CCCSC2)[C@@]2(C1)CCC[NH2+]C2 ZINC000257696478 1168608088 /nfs/dbraw/zinc/60/80/88/1168608088.db2.gz KHNUJBKVWPHHAZ-CHWSQXEVSA-N 2 1 240.416 2.100 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccccc1F ZINC001348851706 981461708 /nfs/dbraw/zinc/46/17/08/981461708.db2.gz GEPURRBEPWPYON-GHMZBOCLSA-N 2 1 224.323 2.474 20 0 BEADMP CC[C@H](C)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205605134 1168791460 /nfs/dbraw/zinc/79/14/60/1168791460.db2.gz ZFSKTNUGBGMHML-AVGNSLFASA-N 2 1 212.381 2.339 20 0 BEADMP C[NH+](C)CCC[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000348935888 1168838375 /nfs/dbraw/zinc/83/83/75/1168838375.db2.gz QMWSZCMPLBALGS-LBPRGKRZSA-N 2 1 212.381 2.449 20 0 BEADMP CC(C)(C)CC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001202096845 983555835 /nfs/dbraw/zinc/55/58/35/983555835.db2.gz XTLZAHKDCNGMDR-UHFFFAOYSA-N 2 1 221.348 2.177 20 0 BEADMP CC(C)(C)CC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001202096845 983555859 /nfs/dbraw/zinc/55/58/59/983555859.db2.gz XTLZAHKDCNGMDR-UHFFFAOYSA-N 2 1 221.348 2.177 20 0 BEADMP C[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)CC[NH2+]1 ZINC000394902637 1169256834 /nfs/dbraw/zinc/25/68/34/1169256834.db2.gz NRXAQMBWCAOXTI-ZQDZILKHSA-N 2 1 234.387 2.273 20 0 BEADMP CC(C)(C)C1CCC([NH2+][C@@H]2C[C@H]2[NH3+])CC1 ZINC001255497187 1169258175 /nfs/dbraw/zinc/25/81/75/1169258175.db2.gz IPUVSNHFKOAYRT-KIDURHIOSA-N 2 1 210.365 2.281 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H](OC)C1 ZINC001255954437 1169272261 /nfs/dbraw/zinc/27/22/61/1169272261.db2.gz DOQOVZANTXYCGZ-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(N)c1 ZINC001256199554 1169280403 /nfs/dbraw/zinc/28/04/03/1169280403.db2.gz DYRCTTNMTFJAJZ-NSHDSACASA-N 2 1 233.359 2.014 20 0 BEADMP CC[C@H](CC(C)C)N1CCO[C@@H](C[NH+](C)C)C1 ZINC001172398732 974758054 /nfs/dbraw/zinc/75/80/54/974758054.db2.gz VOEJYCILSHYYSF-KGLIPLIRSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@H](CC(C)C)N1CCO[C@H](C[NH+](C)C)C1 ZINC001172398734 974759578 /nfs/dbraw/zinc/75/95/78/974759578.db2.gz VOEJYCILSHYYSF-ZIAGYGMSSA-N 2 1 242.407 2.074 20 0 BEADMP C[C@@H]1C[C@@H](F)C[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256623410 970886754 /nfs/dbraw/zinc/88/67/54/970886754.db2.gz PPDIHFOCCWNNPC-PNKOWGENSA-N 2 1 226.339 2.044 20 0 BEADMP C[C@@H]1C[C@@H](F)C[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256623410 970886757 /nfs/dbraw/zinc/88/67/57/970886757.db2.gz PPDIHFOCCWNNPC-PNKOWGENSA-N 2 1 226.339 2.044 20 0 BEADMP C[C@@H]1C[C@@H](F)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256623410 970886765 /nfs/dbraw/zinc/88/67/65/970886765.db2.gz PPDIHFOCCWNNPC-PNKOWGENSA-N 2 1 226.339 2.044 20 0 BEADMP C[C@@H]1C[C@@H](F)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256623410 970886772 /nfs/dbraw/zinc/88/67/72/970886772.db2.gz PPDIHFOCCWNNPC-PNKOWGENSA-N 2 1 226.339 2.044 20 0 BEADMP C[C@@H](Cc1ccncc1)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001256723707 970944258 /nfs/dbraw/zinc/94/42/58/970944258.db2.gz ZRMWJBHRSDNBLW-GRTSSRMGSA-N 2 1 247.386 2.214 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403507822 970956595 /nfs/dbraw/zinc/95/65/95/970956595.db2.gz BGRWPZMOARQIBQ-RQJABVFESA-N 2 1 222.376 2.093 20 0 BEADMP C[C@@H]1CC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256857835 970999246 /nfs/dbraw/zinc/99/92/46/970999246.db2.gz WSALNIDREQJIET-CYBMUJFWSA-N 2 1 245.370 2.392 20 0 BEADMP COCCC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256898387 971011099 /nfs/dbraw/zinc/01/10/99/971011099.db2.gz YWVOUYDUILUGKH-CYBMUJFWSA-N 2 1 240.391 2.020 20 0 BEADMP COCCC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256898387 971011109 /nfs/dbraw/zinc/01/11/09/971011109.db2.gz YWVOUYDUILUGKH-CYBMUJFWSA-N 2 1 240.391 2.020 20 0 BEADMP CCCC[C@@H](C)[N@@H+](C)CCC[NH+](C)C ZINC000352414550 971025839 /nfs/dbraw/zinc/02/58/39/971025839.db2.gz IIAZRYPPEZFFHT-GFCCVEGCSA-N 2 1 200.370 2.449 20 0 BEADMP CC[C@@H]1C[N@@H+](CCCCCCC[NH3+])[C@H](C)CO1 ZINC000403915626 971090432 /nfs/dbraw/zinc/09/04/32/971090432.db2.gz OPDNKBAPYNHXIM-ZIAGYGMSSA-N 2 1 242.407 2.395 20 0 BEADMP CC(C)[NH+]1CCC([NH+]2CC3CC(C3)C2)CC1 ZINC001257223914 971132034 /nfs/dbraw/zinc/13/20/34/971132034.db2.gz IFPNKSCAVNCQOI-UHFFFAOYSA-N 2 1 222.376 2.201 20 0 BEADMP CC(C)[NH+]1CCC([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC1 ZINC001257220690 971134550 /nfs/dbraw/zinc/13/45/50/971134550.db2.gz SEEKYIXWJAHKPG-FPMFFAJLSA-N 2 1 240.366 2.292 20 0 BEADMP CC(C)[NH+]1CCC([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC1 ZINC001257220690 971134558 /nfs/dbraw/zinc/13/45/58/971134558.db2.gz SEEKYIXWJAHKPG-FPMFFAJLSA-N 2 1 240.366 2.292 20 0 BEADMP CCC[C@@H](CC)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001257261473 971159231 /nfs/dbraw/zinc/15/92/31/971159231.db2.gz YWNCKBHXTUOWGY-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@@H](CC)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001257261473 971159240 /nfs/dbraw/zinc/15/92/40/971159240.db2.gz YWNCKBHXTUOWGY-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@@H](CC)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001257261473 971159249 /nfs/dbraw/zinc/15/92/49/971159249.db2.gz YWNCKBHXTUOWGY-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](CC)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001257261475 971160860 /nfs/dbraw/zinc/16/08/60/971160860.db2.gz YWNCKBHXTUOWGY-RDBSUJKOSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](CC)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001257261475 971160868 /nfs/dbraw/zinc/16/08/68/971160868.db2.gz YWNCKBHXTUOWGY-RDBSUJKOSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](CC)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001257261475 971160873 /nfs/dbraw/zinc/16/08/73/971160873.db2.gz YWNCKBHXTUOWGY-RDBSUJKOSA-N 2 1 224.392 2.449 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)nc1C ZINC000405459083 971261740 /nfs/dbraw/zinc/26/17/40/971261740.db2.gz IIPCNQVIWLMIQV-KBPBESRZSA-N 2 1 245.370 2.058 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2CC[C@@](C)([NH3+])C2)c1 ZINC000405775457 971305717 /nfs/dbraw/zinc/30/57/17/971305717.db2.gz CPFHTPWBSXQISK-CQSZACIVSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CC[C@@](C)([NH3+])C2)c1 ZINC000405775457 971305723 /nfs/dbraw/zinc/30/57/23/971305723.db2.gz CPFHTPWBSXQISK-CQSZACIVSA-N 2 1 218.344 2.227 20 0 BEADMP C[C@@]1([NH3+])CC[N@H+](CCCc2ccccc2)C1 ZINC000405839278 971310234 /nfs/dbraw/zinc/31/02/34/971310234.db2.gz HZCVQRQQTWEULD-CQSZACIVSA-N 2 1 218.344 2.042 20 0 BEADMP C[C@@]1([NH3+])CC[N@@H+](CCCc2ccccc2)C1 ZINC000405839278 971310241 /nfs/dbraw/zinc/31/02/41/971310241.db2.gz HZCVQRQQTWEULD-CQSZACIVSA-N 2 1 218.344 2.042 20 0 BEADMP CC(C)(CC[N@H+]1CC[C@@H](CC[NH3+])C1)C1CC1 ZINC000406016430 971323287 /nfs/dbraw/zinc/32/32/87/971323287.db2.gz WQZCHJIVHCUKEF-GFCCVEGCSA-N 2 1 224.392 2.483 20 0 BEADMP CC(C)[N@H+]1CCC[C@@H](OCCCC[NH+](C)C)C1 ZINC001224991615 974123877 /nfs/dbraw/zinc/12/38/77/974123877.db2.gz XIBNKMZKUBVVLM-CQSZACIVSA-N 2 1 242.407 2.218 20 0 BEADMP CCCCC[C@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001257504664 971421754 /nfs/dbraw/zinc/42/17/54/971421754.db2.gz YZSIGWYNHNHMCI-RYUDHWBXSA-N 2 1 200.370 2.482 20 0 BEADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC001257660922 971458693 /nfs/dbraw/zinc/45/86/93/971458693.db2.gz OZIKRSMHLJRHLW-AVGNSLFASA-N 2 1 242.432 2.344 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCCSC1)C2 ZINC001257657803 971460679 /nfs/dbraw/zinc/46/06/79/971460679.db2.gz PKUZYYSJBVPEQT-RVMXOQNASA-N 2 1 240.416 2.097 20 0 BEADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@@H](C)C2)CC1 ZINC001258013814 971550506 /nfs/dbraw/zinc/55/05/06/971550506.db2.gz XQLNMGDSLGYVQQ-CYBMUJFWSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@H]2C)CC1 ZINC001258012770 971552158 /nfs/dbraw/zinc/55/21/58/971552158.db2.gz GLSHYZCOUZFFDF-GFCCVEGCSA-N 2 1 210.365 2.201 20 0 BEADMP C[N@H+]1CCC[C@@H](Oc2cccc(C[NH3+])c2)CC1 ZINC001218211956 971630362 /nfs/dbraw/zinc/63/03/62/971630362.db2.gz NXZKIKOXWULAJD-CYBMUJFWSA-N 2 1 234.343 2.008 20 0 BEADMP CCCCCC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206154186 974315964 /nfs/dbraw/zinc/31/59/64/974315964.db2.gz HHCBBVOKEVCOHT-NEPJUHHUSA-N 2 1 216.344 2.328 20 0 BEADMP CCCCCC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206154186 974315968 /nfs/dbraw/zinc/31/59/68/974315968.db2.gz HHCBBVOKEVCOHT-NEPJUHHUSA-N 2 1 216.344 2.328 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170721688 971642279 /nfs/dbraw/zinc/64/22/79/971642279.db2.gz YLAOSUQMMSKZBK-FQUUOJAGSA-N 2 1 236.403 2.495 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170721693 971646682 /nfs/dbraw/zinc/64/66/82/971646682.db2.gz YLAOSUQMMSKZBK-XDQVBPFNSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000216861623 971678322 /nfs/dbraw/zinc/67/83/22/971678322.db2.gz VXOJCELMRUMVMI-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP CCOC(=[NH2+])c1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC001218287365 971681746 /nfs/dbraw/zinc/68/17/46/971681746.db2.gz NGHPUXAKQFZCEP-ZDUSSCGKSA-N 2 1 248.326 2.179 20 0 BEADMP COCC(C)(C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172102853 974358966 /nfs/dbraw/zinc/35/89/66/974358966.db2.gz PPRCIIGYOGPLSW-XYYAHUGASA-N 2 1 240.391 2.016 20 0 BEADMP COCC(C)(C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172102853 974358980 /nfs/dbraw/zinc/35/89/80/974358980.db2.gz PPRCIIGYOGPLSW-XYYAHUGASA-N 2 1 240.391 2.016 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC1(C)C)C2 ZINC001172112611 974373028 /nfs/dbraw/zinc/37/30/28/974373028.db2.gz YDIACNBISYQJHC-YVECIDJPSA-N 2 1 222.376 2.390 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC1(C)C)C2 ZINC001172112611 974373041 /nfs/dbraw/zinc/37/30/41/974373041.db2.gz YDIACNBISYQJHC-YVECIDJPSA-N 2 1 222.376 2.390 20 0 BEADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](C)C1CC1)C2 ZINC001172109088 974373320 /nfs/dbraw/zinc/37/33/20/974373320.db2.gz AVFYHKUQZUOVCV-CLLJXQQHSA-N 2 1 208.349 2.096 20 0 BEADMP C[N@H+](C1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172109088 974373330 /nfs/dbraw/zinc/37/33/30/974373330.db2.gz AVFYHKUQZUOVCV-CLLJXQQHSA-N 2 1 208.349 2.096 20 0 BEADMP C[N@@H+](C1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172109088 974373337 /nfs/dbraw/zinc/37/33/37/974373337.db2.gz AVFYHKUQZUOVCV-CLLJXQQHSA-N 2 1 208.349 2.096 20 0 BEADMP C[NH+](C1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172109088 974373346 /nfs/dbraw/zinc/37/33/46/974373346.db2.gz AVFYHKUQZUOVCV-CLLJXQQHSA-N 2 1 208.349 2.096 20 0 BEADMP C[NH+](C1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172109088 974373354 /nfs/dbraw/zinc/37/33/54/974373354.db2.gz AVFYHKUQZUOVCV-CLLJXQQHSA-N 2 1 208.349 2.096 20 0 BEADMP CC(C)[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172112834 974376199 /nfs/dbraw/zinc/37/61/99/974376199.db2.gz FURZUVUFEZEWKP-ITGUQSILSA-N 2 1 210.365 2.342 20 0 BEADMP CC(C)[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172112834 974376206 /nfs/dbraw/zinc/37/62/06/974376206.db2.gz FURZUVUFEZEWKP-ITGUQSILSA-N 2 1 210.365 2.342 20 0 BEADMP CC(C)[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112834 974376214 /nfs/dbraw/zinc/37/62/14/974376214.db2.gz FURZUVUFEZEWKP-ITGUQSILSA-N 2 1 210.365 2.342 20 0 BEADMP CC(C)[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112834 974376226 /nfs/dbraw/zinc/37/62/26/974376226.db2.gz FURZUVUFEZEWKP-ITGUQSILSA-N 2 1 210.365 2.342 20 0 BEADMP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172122071 974393102 /nfs/dbraw/zinc/39/31/02/974393102.db2.gz WLSKMFRFNQGOEX-MQYQWHSLSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172122071 974393112 /nfs/dbraw/zinc/39/31/12/974393112.db2.gz WLSKMFRFNQGOEX-MQYQWHSLSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172122071 974393119 /nfs/dbraw/zinc/39/31/19/974393119.db2.gz WLSKMFRFNQGOEX-MQYQWHSLSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172122071 974393132 /nfs/dbraw/zinc/39/31/32/974393132.db2.gz WLSKMFRFNQGOEX-MQYQWHSLSA-N 2 1 222.376 2.344 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCC2(C)C)C1 ZINC000309681686 971759707 /nfs/dbraw/zinc/75/97/07/971759707.db2.gz ZPYFOHOAOZKXCT-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC2(C)C)C1 ZINC000309681682 971760508 /nfs/dbraw/zinc/76/05/08/971760508.db2.gz ZPYFOHOAOZKXCT-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H](C)OCC[C@@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001172326034 974535126 /nfs/dbraw/zinc/53/51/26/974535126.db2.gz ABXKNBXOUHCQKK-XQQFMLRXSA-N 2 1 230.396 2.107 20 0 BEADMP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCC2)c1 ZINC001232143319 1169682301 /nfs/dbraw/zinc/68/23/01/1169682301.db2.gz AXOBMBRBVRUAJF-UHFFFAOYSA-N 2 1 222.307 2.093 20 0 BEADMP CSC(C)(C)C[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246120597 972184746 /nfs/dbraw/zinc/18/47/46/972184746.db2.gz MZEDVXCSMWGUSX-MNOVXSKESA-N 2 1 230.421 2.248 20 0 BEADMP CC(C)=CCC[C@H](C)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246132253 972191976 /nfs/dbraw/zinc/19/19/76/972191976.db2.gz LHMWNPXTVVXLHO-STQMWFEESA-N 2 1 222.376 2.463 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)s1 ZINC001246167264 972202295 /nfs/dbraw/zinc/20/22/95/972202295.db2.gz FENRPLDPZHJPLA-PWSUYJOCSA-N 2 1 238.400 2.329 20 0 BEADMP CCCc1cc(NC[C@H]2CCCC[NH2+]2)nc(C)[nH+]1 ZINC001160147900 972219216 /nfs/dbraw/zinc/21/92/16/972219216.db2.gz LVADXMOXWNWWBF-CYBMUJFWSA-N 2 1 248.374 2.292 20 0 BEADMP CS[C@H](C)CC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001208141238 957015609 /nfs/dbraw/zinc/01/56/09/957015609.db2.gz JSPYFSKWSDDVMJ-GFCCVEGCSA-N 2 1 244.448 2.402 20 0 BEADMP C[C@@H]1C[N@H+](CC2(C[NH+](C)C)CCCC2)C[C@@H]1F ZINC001208184527 957065639 /nfs/dbraw/zinc/06/56/39/957065639.db2.gz MHACISXZZBDWLO-OLZOCXBDSA-N 2 1 242.382 2.398 20 0 BEADMP C[C@@H]1C[N@@H+](CC2(C[NH+](C)C)CCCC2)C[C@@H]1F ZINC001208184527 957065657 /nfs/dbraw/zinc/06/56/57/957065657.db2.gz MHACISXZZBDWLO-OLZOCXBDSA-N 2 1 242.382 2.398 20 0 BEADMP CC(C)C([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)C(C)C ZINC001246235402 972239896 /nfs/dbraw/zinc/23/98/96/972239896.db2.gz GJTMAJIHPSDGAX-NWDGAFQWSA-N 2 1 212.381 2.397 20 0 BEADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208603583 957095586 /nfs/dbraw/zinc/09/55/86/957095586.db2.gz FCWFVFFKVRVEKZ-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP C[N@@H+]1CCC[C@H](C[NH+]2CC3CCC2CC3)C1 ZINC001208613678 957096666 /nfs/dbraw/zinc/09/66/66/957096666.db2.gz YABQSSXRAFDGOZ-MOKVOYLWSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CC3CCC2CC3)C1 ZINC001208613678 957096682 /nfs/dbraw/zinc/09/66/82/957096682.db2.gz YABQSSXRAFDGOZ-MOKVOYLWSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@H](C[N@@H+]2CC3CCC2CC3)C1 ZINC001208613678 957096695 /nfs/dbraw/zinc/09/66/95/957096695.db2.gz YABQSSXRAFDGOZ-MOKVOYLWSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@H](C[N@H+]2CC3CCC2CC3)C1 ZINC001208613678 957096710 /nfs/dbraw/zinc/09/67/10/957096710.db2.gz YABQSSXRAFDGOZ-MOKVOYLWSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](CCC1CCCC1)C2 ZINC001208696795 957133497 /nfs/dbraw/zinc/13/34/97/957133497.db2.gz ZCTGUHGRZHCIRK-HUUCEWRRSA-N 2 1 236.403 2.450 20 0 BEADMP Cc1cc(F)cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246238715 972244250 /nfs/dbraw/zinc/24/42/50/972244250.db2.gz ZEAGIXHTPNYSMT-SMDDNHRTSA-N 2 1 236.334 2.364 20 0 BEADMP C[C@@H](C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(O)cc1 ZINC001246273550 972254064 /nfs/dbraw/zinc/25/40/64/972254064.db2.gz PKVJQTMTZQVFNI-SCRDCRAPSA-N 2 1 248.370 2.226 20 0 BEADMP C[N@H+]1CC[C@H](Nc2ccc([C@@H]3CCC[NH2+]3)cc2)C1 ZINC001167278819 957627511 /nfs/dbraw/zinc/62/75/11/957627511.db2.gz TYMGJEJLHYVWRC-GJZGRUSLSA-N 2 1 245.370 2.227 20 0 BEADMP CO[C@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000386019273 957777805 /nfs/dbraw/zinc/77/78/05/957777805.db2.gz WRTCWLMSDQTGSF-UKRRQHHQSA-N 2 1 248.370 2.045 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000723138833 958299764 /nfs/dbraw/zinc/29/97/64/958299764.db2.gz RDIPCCZPAMZUDL-MQYQWHSLSA-N 2 1 222.376 2.106 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000723138833 958299780 /nfs/dbraw/zinc/29/97/80/958299780.db2.gz RDIPCCZPAMZUDL-MQYQWHSLSA-N 2 1 222.376 2.106 20 0 BEADMP CC[N@@H+](CCCCCCC[NH3+])[C@@H]1CCCOC1 ZINC000402762869 958328133 /nfs/dbraw/zinc/32/81/33/958328133.db2.gz FUCBZENYLXCBKM-CQSZACIVSA-N 2 1 242.407 2.397 20 0 BEADMP CC(C)C1CCC([NH2+][C@@H]2C[NH2+]C[C@H]3C[C@H]32)CC1 ZINC001246502158 972362783 /nfs/dbraw/zinc/36/27/83/972362783.db2.gz GFQUKWSQJYUIOG-VIGLNQMMSA-N 2 1 236.403 2.399 20 0 BEADMP C[C@@H]1CC[C@@H]([N@@H+]2CCC23CCCC3)C[NH2+]1 ZINC000707628664 958634959 /nfs/dbraw/zinc/63/49/59/958634959.db2.gz WMUGLHQSGLBIQT-VXGBXAGGSA-N 2 1 208.349 2.145 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CCC23CCCC3)C[NH2+]1 ZINC000707628664 958634968 /nfs/dbraw/zinc/63/49/68/958634968.db2.gz WMUGLHQSGLBIQT-VXGBXAGGSA-N 2 1 208.349 2.145 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+]2CCC23CCCC3)C[NH2+]1 ZINC000707628658 958635300 /nfs/dbraw/zinc/63/53/00/958635300.db2.gz WMUGLHQSGLBIQT-NEPJUHHUSA-N 2 1 208.349 2.145 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CCC23CCCC3)C[NH2+]1 ZINC000707628658 958635308 /nfs/dbraw/zinc/63/53/08/958635308.db2.gz WMUGLHQSGLBIQT-NEPJUHHUSA-N 2 1 208.349 2.145 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCc3ccccc3C2)C1 ZINC000693545051 958757567 /nfs/dbraw/zinc/75/75/67/958757567.db2.gz IAUGNDCQZGXYTB-JNSHFYNHSA-N 2 1 230.355 2.172 20 0 BEADMP CCC[C@H](C)C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000308799153 959504065 /nfs/dbraw/zinc/50/40/65/959504065.db2.gz DFKZPGBYUUELOQ-STQMWFEESA-N 2 1 212.381 2.483 20 0 BEADMP Cc1ccc(C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)s1 ZINC000693967026 959622806 /nfs/dbraw/zinc/62/28/06/959622806.db2.gz VQDUADCOLRZCCL-PHIMTYICSA-N 2 1 224.373 2.226 20 0 BEADMP CC[NH2+]CC[N@@H+]1CCCC2(CCCC2)C1 ZINC001222400931 972460897 /nfs/dbraw/zinc/46/08/97/972460897.db2.gz OAPVHGLLGWAVLE-UHFFFAOYSA-N 2 1 210.365 2.252 20 0 BEADMP CC[NH2+]CC[N@H+]1CCCC2(CCCC2)C1 ZINC001222400931 972460902 /nfs/dbraw/zinc/46/09/02/972460902.db2.gz OAPVHGLLGWAVLE-UHFFFAOYSA-N 2 1 210.365 2.252 20 0 BEADMP Cc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc(C)c1O ZINC000708829836 959860424 /nfs/dbraw/zinc/86/04/24/959860424.db2.gz IBAAEDNNGRIPLB-GXTWGEPZSA-N 2 1 248.370 2.036 20 0 BEADMP C[C@H]1C[N@H+]([C@H]2C[C@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC000708873246 959996736 /nfs/dbraw/zinc/99/67/36/959996736.db2.gz YCTKIPWPYCQRNU-MEBFFEOJSA-N 2 1 224.392 2.338 20 0 BEADMP C[C@@H]1CCC[N@@H+](CCNc2cc[nH+]cc2)C1 ZINC000309803130 960129715 /nfs/dbraw/zinc/12/97/15/960129715.db2.gz ROBHYPTUJPTMTE-GFCCVEGCSA-N 2 1 219.332 2.225 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C2(Cl)CC2)C1 ZINC000695635915 960310912 /nfs/dbraw/zinc/31/09/12/960310912.db2.gz DVDWPICQYNDOAZ-NEPJUHHUSA-N 2 1 244.810 2.468 20 0 BEADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H](CF)C2)CC1 ZINC001207484317 960451663 /nfs/dbraw/zinc/45/16/63/960451663.db2.gz JFGIUQOSKXRCFZ-AWEZNQCLSA-N 2 1 242.382 2.400 20 0 BEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccncc1 ZINC000709450319 960615835 /nfs/dbraw/zinc/61/58/35/960615835.db2.gz VUYKELDXDQXQHI-RAQOOLMWSA-N 2 1 231.343 2.015 20 0 BEADMP Cc1[nH+]c(N)ccc1CNc1cccc(C[NH3+])c1 ZINC001167785992 960878461 /nfs/dbraw/zinc/87/84/61/960878461.db2.gz FKTFLQDCOUFAIM-UHFFFAOYSA-N 2 1 242.326 2.043 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)CCF ZINC001167835281 961209468 /nfs/dbraw/zinc/20/94/68/961209468.db2.gz QSRDMBPNSKHYFV-LBPRGKRZSA-N 2 1 218.360 2.398 20 0 BEADMP CCCC[N@H+](CC)CC[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167895455 961513874 /nfs/dbraw/zinc/51/38/74/961513874.db2.gz UCHXZBCGHFHIJQ-BTTYYORXSA-N 2 1 224.392 2.497 20 0 BEADMP CCCC[N@@H+](CC)CC[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167895455 961513899 /nfs/dbraw/zinc/51/38/99/961513899.db2.gz UCHXZBCGHFHIJQ-BTTYYORXSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167903296 961696736 /nfs/dbraw/zinc/69/67/36/961696736.db2.gz UQIUROQKJKTRRM-ZSLBOAEBSA-N 2 1 222.376 2.247 20 0 BEADMP Cc1cc(O)cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206632346 962120600 /nfs/dbraw/zinc/12/06/00/962120600.db2.gz JIBAJXHIDRLDOF-ZDUSSCGKSA-N 2 1 248.370 2.261 20 0 BEADMP Cc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cnc1C ZINC001206632292 962127306 /nfs/dbraw/zinc/12/73/06/962127306.db2.gz IKTSCTZTUUOJQJ-AWEZNQCLSA-N 2 1 247.386 2.259 20 0 BEADMP Cc1c(O)cccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206632376 962127818 /nfs/dbraw/zinc/12/78/18/962127818.db2.gz JZEPOAXPFLAELJ-ZDUSSCGKSA-N 2 1 248.370 2.261 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000710384753 962374617 /nfs/dbraw/zinc/37/46/17/962374617.db2.gz MZFQKCYTDGAPSI-STQMWFEESA-N 2 1 240.391 2.018 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000710384745 962376347 /nfs/dbraw/zinc/37/63/47/962376347.db2.gz MZFQKCYTDGAPSI-CHWSQXEVSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)C1 ZINC000710448744 962382248 /nfs/dbraw/zinc/38/22/48/962382248.db2.gz ZTNXAKBDJYQRAY-AGIUHOORSA-N 2 1 210.365 2.249 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167948472 962592675 /nfs/dbraw/zinc/59/26/75/962592675.db2.gz NFNHFWGWFNJEAB-WDNDVIMCSA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)Cc1ccccn1 ZINC000924955009 962624541 /nfs/dbraw/zinc/62/45/41/962624541.db2.gz MPZOCWADNKUKAA-ZIAGYGMSSA-N 2 1 249.402 2.333 20 0 BEADMP C[C@@H]1C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167959900 962843351 /nfs/dbraw/zinc/84/33/51/962843351.db2.gz UMYZOAQTMHNCJC-MYLLAERPSA-N 2 1 234.387 2.390 20 0 BEADMP COC[C@H]1CCCC[N@@H+](CCCCCC[NH3+])C1 ZINC000696642586 963332101 /nfs/dbraw/zinc/33/21/01/963332101.db2.gz BFXHRVNMBKBNPU-AWEZNQCLSA-N 2 1 242.407 2.254 20 0 BEADMP C[C@@]1([NH3+])CC[N@H+](CCCc2cccc(F)c2)C1 ZINC001204764370 963377968 /nfs/dbraw/zinc/37/79/68/963377968.db2.gz XZHBOVMOPHEIOS-CQSZACIVSA-N 2 1 236.334 2.181 20 0 BEADMP C[C@@]1([NH3+])CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC001204764370 963377975 /nfs/dbraw/zinc/37/79/75/963377975.db2.gz XZHBOVMOPHEIOS-CQSZACIVSA-N 2 1 236.334 2.181 20 0 BEADMP Cn1ccc2c1cccc2C[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001204771993 963418646 /nfs/dbraw/zinc/41/86/46/963418646.db2.gz SFRHMDFNCUECBD-OAHLLOKOSA-N 2 1 243.354 2.101 20 0 BEADMP Cn1ccc2c1cccc2C[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001204771993 963418649 /nfs/dbraw/zinc/41/86/49/963418649.db2.gz SFRHMDFNCUECBD-OAHLLOKOSA-N 2 1 243.354 2.101 20 0 BEADMP Cn1ccc2c1cccc2C[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001204771992 963419887 /nfs/dbraw/zinc/41/98/87/963419887.db2.gz SFRHMDFNCUECBD-HNNXBMFYSA-N 2 1 243.354 2.101 20 0 BEADMP Cn1ccc2c1cccc2C[N@H+]1CC[C@](C)([NH3+])C1 ZINC001204771992 963419896 /nfs/dbraw/zinc/41/98/96/963419896.db2.gz SFRHMDFNCUECBD-HNNXBMFYSA-N 2 1 243.354 2.101 20 0 BEADMP CC1(C)CC([NH3+])CC(C)(C)N1c1[nH+]cccc1N ZINC001156771241 963457796 /nfs/dbraw/zinc/45/77/96/963457796.db2.gz PNQRBLCHNHZHKH-UHFFFAOYSA-N 2 1 248.374 2.149 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000896719338 963473717 /nfs/dbraw/zinc/47/37/17/963473717.db2.gz CWXFJRMGRIPEEJ-BPLDGKMQSA-N 2 1 247.386 2.320 20 0 BEADMP CCCC[N@@H+](CC)CC[NH2+][C@H]1CCO[C@H](C)C1 ZINC001168072581 963604840 /nfs/dbraw/zinc/60/48/40/963604840.db2.gz UKZJLMVMBPATAG-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP CCCC[N@H+](CC)CC[NH2+][C@H]1CCO[C@H](C)C1 ZINC001168072581 963604828 /nfs/dbraw/zinc/60/48/28/963604828.db2.gz UKZJLMVMBPATAG-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1CCO[C@H](C)C1 ZINC001168075750 963614890 /nfs/dbraw/zinc/61/48/90/963614890.db2.gz QNFXQWAFPUFXMK-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)CCO1 ZINC001168080914 963627240 /nfs/dbraw/zinc/62/72/40/963627240.db2.gz XDKLSDWOSHDNKO-XUXIUFHCSA-N 2 1 240.391 2.016 20 0 BEADMP CC(C)[C@H](C)[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000697038393 963665050 /nfs/dbraw/zinc/66/50/50/963665050.db2.gz CJHIPYOXYNVMFA-STQMWFEESA-N 2 1 212.381 2.352 20 0 BEADMP Cc1[nH+]c2ccccn2c1NC1=C[NH2+]CCC1 ZINC001159203491 964021445 /nfs/dbraw/zinc/02/14/45/964021445.db2.gz FRLOIINXRSFVSD-UHFFFAOYSA-N 2 1 228.299 2.279 20 0 BEADMP CCC=CNc1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001159669377 964143528 /nfs/dbraw/zinc/14/35/28/964143528.db2.gz STGVLKJDRGHIRF-YCRREMRBSA-N 2 1 246.358 2.345 20 0 BEADMP CC(C)n1ccc2c1nc[nH+]c2NCC[C@@H](C)[NH3+] ZINC001159777731 964190045 /nfs/dbraw/zinc/19/00/45/964190045.db2.gz BCUGKRPDCRLFJU-SNVBAGLBSA-N 2 1 247.346 2.161 20 0 BEADMP C[NH+](C)C1CCC([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC1 ZINC001168327976 964460084 /nfs/dbraw/zinc/46/00/84/964460084.db2.gz VXAYUSZDJCJXLZ-ASUPZPJHSA-N 2 1 240.366 2.292 20 0 BEADMP COc1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)cc1 ZINC000697921000 964687231 /nfs/dbraw/zinc/68/72/31/964687231.db2.gz RSRIEFYPPAABQN-LBPRGKRZSA-N 2 1 236.359 2.125 20 0 BEADMP CCc1ccc(NCCCC[NH+](C)C)[nH+]c1 ZINC001161730826 964719291 /nfs/dbraw/zinc/71/92/91/964719291.db2.gz RPGQDZKUUIUGQX-UHFFFAOYSA-N 2 1 221.348 2.398 20 0 BEADMP Cc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)c2[nH+]ccn2c1 ZINC001162399542 964958776 /nfs/dbraw/zinc/95/87/76/964958776.db2.gz BRTRRYCANWFCIY-VXGBXAGGSA-N 2 1 244.342 2.325 20 0 BEADMP COC(=[NH2+])c1cccc(N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC001162399246 964960814 /nfs/dbraw/zinc/96/08/14/964960814.db2.gz AKTOEICYAUVCJH-AAEUAGOBSA-N 2 1 247.342 2.340 20 0 BEADMP [NH3+][C@H]1CCC[C@H](Nc2cc3[nH+]c[nH]c3cc2F)C1 ZINC001162404031 964961536 /nfs/dbraw/zinc/96/15/36/964961536.db2.gz IIYAFTYTISIICC-IUCAKERBSA-N 2 1 248.305 2.384 20 0 BEADMP COc1cc[nH+]c(Nc2ccc(C[NH3+])c(F)c2)c1 ZINC001162522869 965024208 /nfs/dbraw/zinc/02/42/08/965024208.db2.gz UCOBHAAFTCUODG-UHFFFAOYSA-N 2 1 247.273 2.432 20 0 BEADMP Cc1ccc(NC[C@]2(F)CCCC[NH2+]C2)[nH+]c1 ZINC001162572599 965050636 /nfs/dbraw/zinc/05/06/36/965050636.db2.gz HKBFNGPDCUADBV-ZDUSSCGKSA-N 2 1 237.322 2.284 20 0 BEADMP C[C@@H]1CCCC[N@H+]1CCCNc1cccc(N)[nH+]1 ZINC000168744370 965119648 /nfs/dbraw/zinc/11/96/48/965119648.db2.gz XZCYSRHYXJNSNU-GFCCVEGCSA-N 2 1 248.374 2.340 20 0 BEADMP FC[C@H]1CCC[N@@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168394509 965134604 /nfs/dbraw/zinc/13/46/04/965134604.db2.gz AEKLSQJMIGGOQL-CQSZACIVSA-N 2 1 240.366 2.295 20 0 BEADMP FC[C@H]1CCC[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168394509 965134617 /nfs/dbraw/zinc/13/46/17/965134617.db2.gz AEKLSQJMIGGOQL-CQSZACIVSA-N 2 1 240.366 2.295 20 0 BEADMP C1=C[C@H](Nc2cc(C3CC3)cc[nH+]2)[C@H]2C[NH2+]C[C@H]12 ZINC001162797340 965186323 /nfs/dbraw/zinc/18/63/23/965186323.db2.gz MAWWJAJLYQYHRF-IHRRRGAJSA-N 2 1 241.338 2.145 20 0 BEADMP Cc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205063804 965283575 /nfs/dbraw/zinc/28/35/75/965283575.db2.gz BWXYNCWNUUEUHE-JSGCOSHPSA-N 2 1 218.344 2.307 20 0 BEADMP Cc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205063804 965283585 /nfs/dbraw/zinc/28/35/85/965283585.db2.gz BWXYNCWNUUEUHE-JSGCOSHPSA-N 2 1 218.344 2.307 20 0 BEADMP C[NH+](C)Cc1cc(F)cc(C[NH+]2CC=CC2)c1 ZINC001232144056 965307260 /nfs/dbraw/zinc/30/72/60/965307260.db2.gz GEPJDHQSUUGSDM-UHFFFAOYSA-N 2 1 234.318 2.259 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](Nc2cc(N)cc[nH+]2)[C@@H](C)C1 ZINC001163356963 965362095 /nfs/dbraw/zinc/36/20/95/965362095.db2.gz HQBRJADVCVMUEN-WCQYABFASA-N 2 1 248.374 2.195 20 0 BEADMP c1[nH]c2ccc(N[C@H]3C[NH+]4CCC3CC4)cc2[nH+]1 ZINC001163395631 965395358 /nfs/dbraw/zinc/39/53/58/965395358.db2.gz UGSAYLHCRCKYQF-AWEZNQCLSA-N 2 1 242.326 2.069 20 0 BEADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(Cl)nc1 ZINC000083453924 965427886 /nfs/dbraw/zinc/42/78/86/965427886.db2.gz SLOYUNURUWKHRB-SNVBAGLBSA-N 2 1 241.766 2.165 20 0 BEADMP CN(CCC[NH+](C)C)c1ccc2c([nH+]1)CCCC2 ZINC001163595217 965472211 /nfs/dbraw/zinc/47/22/11/965472211.db2.gz BSUPNDLNFQOYMF-UHFFFAOYSA-N 2 1 247.386 2.348 20 0 BEADMP COC(=[NH2+])c1cccc(N[C@@H](C)C[NH+](C)C)c1 ZINC001163782937 965590274 /nfs/dbraw/zinc/59/02/74/965590274.db2.gz UXWCDUZKAYUWPS-JTQLQIEISA-N 2 1 235.331 2.020 20 0 BEADMP Cc1[nH+]ccn1CCNc1[nH+]c(C)ccc1C ZINC001163919673 965634420 /nfs/dbraw/zinc/63/44/20/965634420.db2.gz JIQHGUAFRXFFSV-UHFFFAOYSA-N 2 1 230.315 2.315 20 0 BEADMP Cc1[nH+]ccn1CCNc1ccc([C@H](C)[NH3+])cc1 ZINC001163923070 965637997 /nfs/dbraw/zinc/63/79/97/965637997.db2.gz DTTOYMZKRXGMLS-NSHDSACASA-N 2 1 244.342 2.323 20 0 BEADMP CCOc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205094680 965729287 /nfs/dbraw/zinc/72/92/87/965729287.db2.gz OACZNZFMLLKBKB-AWEZNQCLSA-N 2 1 248.370 2.399 20 0 BEADMP Cc1nc(C)c(C[N@H+]2CCC[C@H]([NH3+])CC2)s1 ZINC001205094735 965732416 /nfs/dbraw/zinc/73/24/16/965732416.db2.gz OXLZHMOVQMPWFT-NSHDSACASA-N 2 1 239.388 2.073 20 0 BEADMP COc1cc(C)ccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205094827 965732503 /nfs/dbraw/zinc/73/25/03/965732503.db2.gz QWQHJNNUGYBZJH-CQSZACIVSA-N 2 1 248.370 2.317 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+](CC2Cc3ccccc3C2)CC1 ZINC001205095527 965755854 /nfs/dbraw/zinc/75/58/54/965755854.db2.gz YKTWABWPSPPGJD-INIZCTEOSA-N 2 1 244.382 2.215 20 0 BEADMP C[C@@H](Cc1cccc(F)c1)n1c[nH+]cc1CC[NH3+] ZINC001168455298 965762776 /nfs/dbraw/zinc/76/27/76/965762776.db2.gz WZECAHJZUOWMBY-NSHDSACASA-N 2 1 247.317 2.327 20 0 BEADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC001257660894 1169876435 /nfs/dbraw/zinc/87/64/35/1169876435.db2.gz OZIKRSMHLJRHLW-AGIUHOORSA-N 2 1 242.432 2.344 20 0 BEADMP C[C@H](C[NH+](C)C)Oc1cccc2c1CC[N@@H+](C)C2 ZINC001234421299 965819844 /nfs/dbraw/zinc/81/98/44/965819844.db2.gz CUVFTODSBRFXCY-GFCCVEGCSA-N 2 1 248.370 2.003 20 0 BEADMP COc1ccc(C)c(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205124668 965898894 /nfs/dbraw/zinc/89/88/94/965898894.db2.gz XPOJWCAKZBHZIJ-AWEZNQCLSA-N 2 1 248.370 2.317 20 0 BEADMP Cc1c[nH+]c(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)c(C)c1 ZINC001165185163 965975377 /nfs/dbraw/zinc/97/53/77/965975377.db2.gz USZNPPYVPHBBCZ-ZFWWWQNUSA-N 2 1 245.370 2.086 20 0 BEADMP CC1=C[C@@H](C)[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001234979705 965982696 /nfs/dbraw/zinc/98/26/96/965982696.db2.gz QVNJVQMNUUYYPP-TUVASFSCSA-N 2 1 234.387 2.130 20 0 BEADMP [NH3+]CC1(F)CCN(c2cc(C3CC3)cc[nH+]2)CC1 ZINC001165262652 966011864 /nfs/dbraw/zinc/01/18/64/966011864.db2.gz GRNSVTNNEANBTQ-UHFFFAOYSA-N 2 1 249.333 2.226 20 0 BEADMP CCc1cc(NCC[C@H]2CCC[N@@H+](C)C2)cc[nH+]1 ZINC001165300921 966039124 /nfs/dbraw/zinc/03/91/24/966039124.db2.gz UQWJGAPUSVSKIW-CYBMUJFWSA-N 2 1 247.386 2.210 20 0 BEADMP Cc1c[nH+]c(N2CCC(C3C[NH2+]C3)CC2)c(C)c1 ZINC001165411798 966099286 /nfs/dbraw/zinc/09/92/86/966099286.db2.gz XJTRXABMBDHZHI-UHFFFAOYSA-N 2 1 245.370 2.134 20 0 BEADMP CC[C@H]1CCCC[N@@H+]1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235926347 966165240 /nfs/dbraw/zinc/16/52/40/966165240.db2.gz ZPGVBXOGNFINIP-STQMWFEESA-N 2 1 240.391 2.366 20 0 BEADMP Cc1cc(C)cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1 ZINC001235960513 966176264 /nfs/dbraw/zinc/17/62/64/966176264.db2.gz YNBOFDNQQDWOIW-MUJYYYPQSA-N 2 1 244.382 2.473 20 0 BEADMP CC(C)[N@@H+](CCN)Cc1cccc2c1CCC2 ZINC001235948807 966180887 /nfs/dbraw/zinc/18/08/87/966180887.db2.gz WFPPJSXNIUMMOT-UHFFFAOYSA-N 2 1 232.371 2.344 20 0 BEADMP CCc1ccccc1C[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235986377 966201332 /nfs/dbraw/zinc/20/13/32/966201332.db2.gz DSBYZFMHPASKLN-HUUCEWRRSA-N 2 1 230.355 2.172 20 0 BEADMP CCc1ccccc1C[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235986377 966201345 /nfs/dbraw/zinc/20/13/45/966201345.db2.gz DSBYZFMHPASKLN-HUUCEWRRSA-N 2 1 230.355 2.172 20 0 BEADMP [NH3+][C@H]1CC[N@H+](CCCCCc2ccccc2)C1 ZINC001236170285 966289851 /nfs/dbraw/zinc/28/98/51/966289851.db2.gz USGSHVYLARMCJM-HNNXBMFYSA-N 2 1 232.371 2.432 20 0 BEADMP [NH3+][C@H]1CC[N@@H+](CCCCCc2ccccc2)C1 ZINC001236170285 966289858 /nfs/dbraw/zinc/28/98/58/966289858.db2.gz USGSHVYLARMCJM-HNNXBMFYSA-N 2 1 232.371 2.432 20 0 BEADMP CC1(C[NH3+])C[NH+](Cc2cccc3ncccc23)C1 ZINC001206717890 966399939 /nfs/dbraw/zinc/39/99/39/966399939.db2.gz GSUIAYYMHRKGBO-UHFFFAOYSA-N 2 1 241.338 2.015 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001204175639 966919812 /nfs/dbraw/zinc/91/98/12/966919812.db2.gz YABQDWIXBARESV-HZPDHXFCSA-N 2 1 244.382 2.379 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001204175639 966919818 /nfs/dbraw/zinc/91/98/18/966919818.db2.gz YABQDWIXBARESV-HZPDHXFCSA-N 2 1 244.382 2.379 20 0 BEADMP CC(C)C[N@@H+](C)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001204611198 967105634 /nfs/dbraw/zinc/10/56/34/967105634.db2.gz DKRIRLDNSKUCGO-UHFFFAOYSA-N 2 1 232.371 2.420 20 0 BEADMP Cc1ccc([C@H](C)CC[N@@H+]2CCC[NH2+]CC2)o1 ZINC001204654895 967115680 /nfs/dbraw/zinc/11/56/80/967115680.db2.gz BPAZDJGXPWTWNS-GFCCVEGCSA-N 2 1 236.359 2.377 20 0 BEADMP Cc1ccc([C@H](C)CC[N@H+]2CCC[NH2+]CC2)o1 ZINC001204654895 967115685 /nfs/dbraw/zinc/11/56/85/967115685.db2.gz BPAZDJGXPWTWNS-GFCCVEGCSA-N 2 1 236.359 2.377 20 0 BEADMP CCc1cccc(C)c1C[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001204802037 967174038 /nfs/dbraw/zinc/17/40/38/967174038.db2.gz ZQNPZMVEKLDBKE-OAHLLOKOSA-N 2 1 232.371 2.481 20 0 BEADMP CCc1cccc(C)c1C[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001204802037 967174046 /nfs/dbraw/zinc/17/40/46/967174046.db2.gz ZQNPZMVEKLDBKE-OAHLLOKOSA-N 2 1 232.371 2.481 20 0 BEADMP CN(C)c1cccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205109481 967353141 /nfs/dbraw/zinc/35/31/41/967353141.db2.gz GYHMZXWCVOAAAY-CQSZACIVSA-N 2 1 247.386 2.066 20 0 BEADMP COc1cccc(C)c1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205117753 967363002 /nfs/dbraw/zinc/36/30/02/967363002.db2.gz UISLUXXRFFBTLE-CYBMUJFWSA-N 2 1 248.370 2.317 20 0 BEADMP Cc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)sc1C ZINC001205150482 967393609 /nfs/dbraw/zinc/39/36/09/967393609.db2.gz CXQLUESCDBBXDB-CMPLNLGQSA-N 2 1 238.400 2.392 20 0 BEADMP COc1ccccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205256075 967447514 /nfs/dbraw/zinc/44/75/14/967447514.db2.gz MOAJTPZBEAMOQI-OAHLLOKOSA-N 2 1 248.370 2.399 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C[C@H]1C[NH3+] ZINC001205297120 967496828 /nfs/dbraw/zinc/49/68/28/967496828.db2.gz ZKBTVZOWGRVMSJ-QKGCVVFFSA-N 2 1 234.387 2.115 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205536731 967672641 /nfs/dbraw/zinc/67/26/41/967672641.db2.gz ACXRJZMQXDUUDS-NWDGAFQWSA-N 2 1 216.344 2.185 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205536732 967674762 /nfs/dbraw/zinc/67/47/62/967674762.db2.gz ACXRJZMQXDUUDS-RYUDHWBXSA-N 2 1 216.344 2.185 20 0 BEADMP C[C@H]1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC001205603625 967719933 /nfs/dbraw/zinc/71/99/33/967719933.db2.gz RHXGYYZFKVABAN-DZGCQCFKSA-N 2 1 232.371 2.493 20 0 BEADMP Cc1cncc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1 ZINC001205617583 967723879 /nfs/dbraw/zinc/72/38/79/967723879.db2.gz LCGYTXNEGSYDRW-HIFRSBDPSA-N 2 1 247.386 2.197 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cn1 ZINC001205626319 967732685 /nfs/dbraw/zinc/73/26/85/967732685.db2.gz FQTMEXMALQDEKU-WFASDCNBSA-N 2 1 247.386 2.197 20 0 BEADMP Cc1ccncc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205625596 967735736 /nfs/dbraw/zinc/73/57/36/967735736.db2.gz BSCDQDYIYSIQFM-KBPBESRZSA-N 2 1 247.386 2.197 20 0 BEADMP C[C@H]1CCCC[N@H+](CC[C@H]2COC(C)(C)[NH2+]2)C1 ZINC001205662553 967746957 /nfs/dbraw/zinc/74/69/57/967746957.db2.gz BZSXUNJPDPQIGA-STQMWFEESA-N 2 1 240.391 2.223 20 0 BEADMP C[C@H]1CCCC[N@@H+](CC[C@H]2COC(C)(C)[NH2+]2)C1 ZINC001205662553 967746974 /nfs/dbraw/zinc/74/69/74/967746974.db2.gz BZSXUNJPDPQIGA-STQMWFEESA-N 2 1 240.391 2.223 20 0 BEADMP C[C@@H]1CCCC[N@H+](CC[C@H]2COC(C)(C)[NH2+]2)C1 ZINC001205662547 967748063 /nfs/dbraw/zinc/74/80/63/967748063.db2.gz BZSXUNJPDPQIGA-OLZOCXBDSA-N 2 1 240.391 2.223 20 0 BEADMP C[C@@H]1CCCC[N@@H+](CC[C@H]2COC(C)(C)[NH2+]2)C1 ZINC001205662547 967748074 /nfs/dbraw/zinc/74/80/74/967748074.db2.gz BZSXUNJPDPQIGA-OLZOCXBDSA-N 2 1 240.391 2.223 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)CC1CC(OC)C1 ZINC001205697022 967782657 /nfs/dbraw/zinc/78/26/57/967782657.db2.gz QZYDEDGUXTZCAB-UHFFFAOYSA-N 2 1 242.407 2.075 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)[nH]1 ZINC001205991323 967939002 /nfs/dbraw/zinc/93/90/02/967939002.db2.gz ACJOBCMETNYTFQ-JSGCOSHPSA-N 2 1 249.402 2.438 20 0 BEADMP Cc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC001205992541 967939751 /nfs/dbraw/zinc/93/97/51/967939751.db2.gz FFFFWJSCFQMICT-GXTWGEPZSA-N 2 1 247.386 2.197 20 0 BEADMP CCc1ccc([C@@H](C)[NH2+]CC[C@@H](C)[NH2+]C)o1 ZINC001118122503 968009573 /nfs/dbraw/zinc/00/95/73/968009573.db2.gz YPALYWDXTIBQLS-GHMZBOCLSA-N 2 1 224.348 2.491 20 0 BEADMP CCc1ccc([C@@H](C)[NH2+]CC[C@H](C)[NH2+]C)o1 ZINC001118122506 968010408 /nfs/dbraw/zinc/01/04/08/968010408.db2.gz YPALYWDXTIBQLS-WDEREUQCSA-N 2 1 224.348 2.491 20 0 BEADMP CC(C)C[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699305743 968077209 /nfs/dbraw/zinc/07/72/09/968077209.db2.gz QMXWFOWJCIMANJ-YHWZYXNKSA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206292457 968202005 /nfs/dbraw/zinc/20/20/05/968202005.db2.gz BFJJCTVHWBDPMX-ZDUSSCGKSA-N 2 1 212.381 2.483 20 0 BEADMP Cc1ccncc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206310831 968219677 /nfs/dbraw/zinc/21/96/77/968219677.db2.gz DAHLHSCCWFBVJI-OAHLLOKOSA-N 2 1 247.386 2.341 20 0 BEADMP [NH3+]C[C@]1(F)CCCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC001206335527 968237391 /nfs/dbraw/zinc/23/73/91/968237391.db2.gz FVYGHRJTNMXQEF-UONOGXRCSA-N 2 1 240.366 2.496 20 0 BEADMP [NH3+]C[C@]1(F)CCCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC001206335527 968237403 /nfs/dbraw/zinc/23/74/03/968237403.db2.gz FVYGHRJTNMXQEF-UONOGXRCSA-N 2 1 240.366 2.496 20 0 BEADMP Cc1cccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)n1 ZINC001206542320 968365156 /nfs/dbraw/zinc/36/51/56/968365156.db2.gz YFTYPBRCYXAIHO-OAHLLOKOSA-N 2 1 247.386 2.341 20 0 BEADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(O)cc2)C1 ZINC001206540133 968367010 /nfs/dbraw/zinc/36/70/10/968367010.db2.gz AKRXVNURBVSSSO-OAHLLOKOSA-N 2 1 248.370 2.343 20 0 BEADMP Cc1cncc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206547079 968373753 /nfs/dbraw/zinc/37/37/53/968373753.db2.gz BKFSMMJOKPWQJU-OAHLLOKOSA-N 2 1 247.386 2.341 20 0 BEADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(N)c2)C1 ZINC001206563510 968386746 /nfs/dbraw/zinc/38/67/46/968386746.db2.gz FIMGCSYDTAEMDO-HNNXBMFYSA-N 2 1 247.386 2.220 20 0 BEADMP Cc1cccc2c(C[NH+]3CC(C)(C[NH3+])C3)c[nH]c21 ZINC001206718644 968441052 /nfs/dbraw/zinc/44/10/52/968441052.db2.gz XHMWMKQINSWWIC-UHFFFAOYSA-N 2 1 243.354 2.257 20 0 BEADMP CCCC[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001120281390 968560652 /nfs/dbraw/zinc/56/06/52/968560652.db2.gz CGCZXNPJCQLYRQ-BFHYXJOUSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@H+]1CC2CCC1CC2 ZINC001207282020 968711102 /nfs/dbraw/zinc/71/11/02/968711102.db2.gz CIUAEGFQZZLASK-UHFFFAOYSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CCCC[C@@H](F)C2)CC1 ZINC001207391339 968745656 /nfs/dbraw/zinc/74/56/56/968745656.db2.gz GTRSQTFPECPRHQ-CYBMUJFWSA-N 2 1 228.355 2.152 20 0 BEADMP C[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C[C@H]1C ZINC001207437011 968767880 /nfs/dbraw/zinc/76/78/80/968767880.db2.gz ZNZVGPDXXGLBPT-QWHCGFSZSA-N 2 1 224.392 2.354 20 0 BEADMP C[N@@H+](CCC1CC[NH+](C)CC1)Cc1ccncc1 ZINC001207479084 968793823 /nfs/dbraw/zinc/79/38/23/968793823.db2.gz CXWLRROVPBRHJE-UHFFFAOYSA-N 2 1 247.386 2.245 20 0 BEADMP C[C@@H]1C[C@H](F)C[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207479390 968795332 /nfs/dbraw/zinc/79/53/32/968795332.db2.gz HLZQUQPSZITANX-YPMHNXCESA-N 2 1 228.355 2.151 20 0 BEADMP C[NH+]1CCC(CC[N@@H+]2Cc3ccncc3C2)CC1 ZINC001207485084 968799702 /nfs/dbraw/zinc/79/97/02/968799702.db2.gz RHZOVULDWDNQTK-UHFFFAOYSA-N 2 1 245.370 2.129 20 0 BEADMP C[NH+]1CCC(CC[N@H+]2Cc3ccncc3C2)CC1 ZINC001207485084 968799706 /nfs/dbraw/zinc/79/97/06/968799706.db2.gz RHZOVULDWDNQTK-UHFFFAOYSA-N 2 1 245.370 2.129 20 0 BEADMP C[C@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000829275999 968828480 /nfs/dbraw/zinc/82/84/80/968828480.db2.gz RLPKSISKKRXXLQ-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP CC(C)O[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000404519255 968896404 /nfs/dbraw/zinc/89/64/04/968896404.db2.gz OKOGANPOJZYKQG-AWEZNQCLSA-N 2 1 242.407 2.395 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]CC3(C)CCCC3)[C@@H]2C1 ZINC001207843943 968900162 /nfs/dbraw/zinc/90/01/62/968900162.db2.gz JBODQXVWOWPHTJ-MJBXVCDLSA-N 2 1 236.403 2.497 20 0 BEADMP C[N@@H+]1CC=C(c2ccc([C@@H]3CCC[NH2+]3)cn2)CC1 ZINC001241307571 968970898 /nfs/dbraw/zinc/97/08/98/968970898.db2.gz CPNYPDPZPRYNJY-AWEZNQCLSA-N 2 1 243.354 2.225 20 0 BEADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H](F)C2)CC1 ZINC001208105802 969001777 /nfs/dbraw/zinc/00/17/77/969001777.db2.gz CMCKHKSJVDRPII-LBPRGKRZSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC(C)(C[N@@H+]2Cc3ccncc3C2)CC1 ZINC001208113472 969009872 /nfs/dbraw/zinc/00/98/72/969009872.db2.gz JVCHUMGOBKDCTF-UHFFFAOYSA-N 2 1 245.370 2.129 20 0 BEADMP C[NH+]1CCC(C)(C[N@H+]2Cc3ccncc3C2)CC1 ZINC001208113472 969009877 /nfs/dbraw/zinc/00/98/77/969009877.db2.gz JVCHUMGOBKDCTF-UHFFFAOYSA-N 2 1 245.370 2.129 20 0 BEADMP C[C@@H]1CC[N@@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208185289 969119053 /nfs/dbraw/zinc/11/90/53/969119053.db2.gz ZPVHCWKQHZQQOP-CYBMUJFWSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH+](C)CC1(C[N@@H+](C)C2CC2)CCCC1 ZINC001208183848 969119616 /nfs/dbraw/zinc/11/96/16/969119616.db2.gz IEJXWNLEOVKEBF-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP CCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)[C@@H](C)CC ZINC001253384923 969149187 /nfs/dbraw/zinc/14/91/87/969149187.db2.gz MTUAOUHVOGSHJG-QWHCGFSZSA-N 2 1 244.423 2.246 20 0 BEADMP CC[NH+]1CCC(C[N@@H+](CCOC)C(C)C)CC1 ZINC001208600800 969151629 /nfs/dbraw/zinc/15/16/29/969151629.db2.gz WTWQYDRHMXQFEV-UHFFFAOYSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](C)C2)CC1 ZINC001208595506 969151842 /nfs/dbraw/zinc/15/18/42/969151842.db2.gz UWZYUOWSPKPYGF-ZDUSSCGKSA-N 2 1 224.392 2.450 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001208602870 969153480 /nfs/dbraw/zinc/15/34/80/969153480.db2.gz PSYIBIVOJIBYKW-KGLIPLIRSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208604402 969153861 /nfs/dbraw/zinc/15/38/61/969153861.db2.gz OIEZOHZUNMGNJU-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208604402 969153868 /nfs/dbraw/zinc/15/38/68/969153868.db2.gz OIEZOHZUNMGNJU-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC001208604402 969153874 /nfs/dbraw/zinc/15/38/74/969153874.db2.gz OIEZOHZUNMGNJU-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC001208604402 969153880 /nfs/dbraw/zinc/15/38/80/969153880.db2.gz OIEZOHZUNMGNJU-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]2CF)CC1 ZINC001208603917 969156168 /nfs/dbraw/zinc/15/61/68/969156168.db2.gz IWJDABDDYBEXHM-CYBMUJFWSA-N 2 1 228.355 2.152 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CCCC(F)(F)CC2)C1 ZINC001208604162 969157794 /nfs/dbraw/zinc/15/77/94/969157794.db2.gz LTBXETHRTYDYNW-LBPRGKRZSA-N 2 1 246.345 2.449 20 0 BEADMP C[NH+]1CCC[C@H](C[N@@H+]2CCCC(F)(F)CC2)C1 ZINC001208604162 969157803 /nfs/dbraw/zinc/15/78/03/969157803.db2.gz LTBXETHRTYDYNW-LBPRGKRZSA-N 2 1 246.345 2.449 20 0 BEADMP C[NH+]1CCC[C@H](C[N@H+]2CCCC(F)(F)CC2)C1 ZINC001208604162 969157808 /nfs/dbraw/zinc/15/78/08/969157808.db2.gz LTBXETHRTYDYNW-LBPRGKRZSA-N 2 1 246.345 2.449 20 0 BEADMP CC[N@@H+](Cc1cccnc1)C[C@@H]1CCC[NH+](C)C1 ZINC001208609732 969169839 /nfs/dbraw/zinc/16/98/39/969169839.db2.gz XEBLHDUIQFCYOY-OAHLLOKOSA-N 2 1 247.386 2.245 20 0 BEADMP CC[N@H+](Cc1cccnc1)C[C@@H]1CCC[NH+](C)C1 ZINC001208609732 969169847 /nfs/dbraw/zinc/16/98/47/969169847.db2.gz XEBLHDUIQFCYOY-OAHLLOKOSA-N 2 1 247.386 2.245 20 0 BEADMP CC[NH+](Cc1cccnc1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208609732 969169850 /nfs/dbraw/zinc/16/98/50/969169850.db2.gz XEBLHDUIQFCYOY-OAHLLOKOSA-N 2 1 247.386 2.245 20 0 BEADMP CC[NH+](Cc1cccnc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208609732 969169853 /nfs/dbraw/zinc/16/98/53/969169853.db2.gz XEBLHDUIQFCYOY-OAHLLOKOSA-N 2 1 247.386 2.245 20 0 BEADMP CC[N@@H+]1C[C@@H]2C[NH+](CCC3CCCC3)C[C@@H]2C1 ZINC001208699312 969198725 /nfs/dbraw/zinc/19/87/25/969198725.db2.gz TWYORUIJNNCIKI-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001208699312 969198730 /nfs/dbraw/zinc/19/87/30/969198730.db2.gz TWYORUIJNNCIKI-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001208699312 969198733 /nfs/dbraw/zinc/19/87/33/969198733.db2.gz TWYORUIJNNCIKI-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP Cc1cncc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001205993515 969229206 /nfs/dbraw/zinc/22/92/06/969229206.db2.gz HZDXHXGFXVERKA-UKRRQHHQSA-N 2 1 247.386 2.197 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2cccc(O)c2)CCC[C@H]1C[NH3+] ZINC001205994864 969251591 /nfs/dbraw/zinc/25/15/91/969251591.db2.gz MRXXEWXQTKUXRF-OCCSQVGLSA-N 2 1 248.370 2.199 20 0 BEADMP Cc1ccnc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001205994398 969253170 /nfs/dbraw/zinc/25/31/70/969253170.db2.gz LJYSWOTUGOTCTE-KGLIPLIRSA-N 2 1 247.386 2.197 20 0 BEADMP CC[N@@H+](C[C@H]1CCC=CO1)C1CCN(C)CC1 ZINC001208880132 969271307 /nfs/dbraw/zinc/27/13/07/969271307.db2.gz IVVMIGWXTDOWPJ-CQSZACIVSA-N 2 1 238.375 2.095 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(O)cc1)C2 ZINC001169093101 969387041 /nfs/dbraw/zinc/38/70/41/969387041.db2.gz FNZMGBHQZOKQKP-BTTYYORXSA-N 2 1 246.354 2.107 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CC(F)(F)C1)C2 ZINC001169092830 969387124 /nfs/dbraw/zinc/38/71/24/969387124.db2.gz CTYZVGAQJSZEOA-CNDDSTCGSA-N 2 1 244.329 2.247 20 0 BEADMP CCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099619 969390087 /nfs/dbraw/zinc/39/00/87/969390087.db2.gz CPXDLEUJNIEIRU-LPWJVIDDSA-N 2 1 210.365 2.390 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCC1CCC1)C2 ZINC001169097927 969393224 /nfs/dbraw/zinc/39/32/24/969393224.db2.gz FIRHYKYNRFTWBU-ZSOGYDGISA-N 2 1 222.376 2.391 20 0 BEADMP CCC(C)(C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078830 969398877 /nfs/dbraw/zinc/39/88/77/969398877.db2.gz HVMZTHQGGVSIKU-ZSBIGDGJSA-N 2 1 210.365 2.390 20 0 BEADMP CCCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169081029 969401931 /nfs/dbraw/zinc/40/19/31/969401931.db2.gz PGPQZTMZWGGYQT-XYYAHUGASA-N 2 1 210.365 2.391 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)C2 ZINC001169080309 969404828 /nfs/dbraw/zinc/40/48/28/969404828.db2.gz MKXOZRKMGONXRD-VEGXAWMVSA-N 2 1 226.339 2.092 20 0 BEADMP Cc1ccncc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169091452 969408362 /nfs/dbraw/zinc/40/83/62/969408362.db2.gz RLRUHEIVGGJSGG-QDMKHBRRSA-N 2 1 245.370 2.105 20 0 BEADMP Cc1ccncc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169091452 969408367 /nfs/dbraw/zinc/40/83/67/969408367.db2.gz RLRUHEIVGGJSGG-QDMKHBRRSA-N 2 1 245.370 2.105 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CC13CCC3)C2 ZINC001169116571 969412696 /nfs/dbraw/zinc/41/26/96/969412696.db2.gz RDVRBPYOQUAPQL-FVCCEPFGSA-N 2 1 220.360 2.144 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(F)(F)CC1)C2 ZINC001169124283 969419440 /nfs/dbraw/zinc/41/94/40/969419440.db2.gz BKFCLZPGSUXCJK-ZSBIGDGJSA-N 2 1 244.329 2.343 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(F)(F)CC1)C2 ZINC001169124283 969419449 /nfs/dbraw/zinc/41/94/49/969419449.db2.gz BKFCLZPGSUXCJK-ZSBIGDGJSA-N 2 1 244.329 2.343 20 0 BEADMP C[C@@H]1CCC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123347 969420470 /nfs/dbraw/zinc/42/04/70/969420470.db2.gz JSOKWXSKXYEIOD-NDBYEHHHSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@@H]1CCC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123347 969420472 /nfs/dbraw/zinc/42/04/72/969420472.db2.gz JSOKWXSKXYEIOD-NDBYEHHHSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@@H]1CCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169123347 969420475 /nfs/dbraw/zinc/42/04/75/969420475.db2.gz JSOKWXSKXYEIOD-NDBYEHHHSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@@H]1CCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169123347 969420477 /nfs/dbraw/zinc/42/04/77/969420477.db2.gz JSOKWXSKXYEIOD-NDBYEHHHSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@@H]1C[C@H](F)C[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126108 969423825 /nfs/dbraw/zinc/42/38/25/969423825.db2.gz PPDIHFOCCWNNPC-RXGFPQBGSA-N 2 1 226.339 2.044 20 0 BEADMP C[C@@H]1C[C@H](F)C[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126108 969423832 /nfs/dbraw/zinc/42/38/32/969423832.db2.gz PPDIHFOCCWNNPC-RXGFPQBGSA-N 2 1 226.339 2.044 20 0 BEADMP C[C@@H]1C[C@H](F)C[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126108 969423836 /nfs/dbraw/zinc/42/38/36/969423836.db2.gz PPDIHFOCCWNNPC-RXGFPQBGSA-N 2 1 226.339 2.044 20 0 BEADMP C[C@@H]1C[C@H](F)C[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126108 969423841 /nfs/dbraw/zinc/42/38/41/969423841.db2.gz PPDIHFOCCWNNPC-RXGFPQBGSA-N 2 1 226.339 2.044 20 0 BEADMP C[N@H+](C1CC(F)(F)C1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125884 969428106 /nfs/dbraw/zinc/42/81/06/969428106.db2.gz NAQDMJWVSFDBIC-URLYPYJESA-N 2 1 244.329 2.341 20 0 BEADMP C[N@@H+](C1CC(F)(F)C1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125884 969428108 /nfs/dbraw/zinc/42/81/08/969428108.db2.gz NAQDMJWVSFDBIC-URLYPYJESA-N 2 1 244.329 2.341 20 0 BEADMP C[NH+](C1CC(F)(F)C1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169125884 969428109 /nfs/dbraw/zinc/42/81/09/969428109.db2.gz NAQDMJWVSFDBIC-URLYPYJESA-N 2 1 244.329 2.341 20 0 BEADMP C[NH+](C1CC(F)(F)C1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125884 969428111 /nfs/dbraw/zinc/42/81/11/969428111.db2.gz NAQDMJWVSFDBIC-URLYPYJESA-N 2 1 244.329 2.341 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@@H]3CCC[C@@H]3C1)C2 ZINC001169126546 969434594 /nfs/dbraw/zinc/43/45/94/969434594.db2.gz WCSDJRGANQPYBN-SBAKFKMJSA-N 2 1 234.387 2.344 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1C[C@@H]3CCC[C@@H]3C1)C2 ZINC001169126546 969434597 /nfs/dbraw/zinc/43/45/97/969434597.db2.gz WCSDJRGANQPYBN-SBAKFKMJSA-N 2 1 234.387 2.344 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1C[C@@H]3CCC[C@@H]3C1)C2 ZINC001169126546 969434603 /nfs/dbraw/zinc/43/46/03/969434603.db2.gz WCSDJRGANQPYBN-SBAKFKMJSA-N 2 1 234.387 2.344 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(F)CCC1)C2 ZINC001169109592 969449713 /nfs/dbraw/zinc/44/97/13/969449713.db2.gz FBSPYHCDYMGMEO-ZSBIGDGJSA-N 2 1 226.339 2.093 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(F)CCC1)C2 ZINC001169109592 969449720 /nfs/dbraw/zinc/44/97/20/969449720.db2.gz FBSPYHCDYMGMEO-ZSBIGDGJSA-N 2 1 226.339 2.093 20 0 BEADMP C[NH+](CC1CCC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169141831 969453629 /nfs/dbraw/zinc/45/36/29/969453629.db2.gz SHTTZGFMMLUXDU-WDNDVIMCSA-N 2 1 222.376 2.344 20 0 BEADMP C[NH+](CC1CCC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169141831 969453635 /nfs/dbraw/zinc/45/36/35/969453635.db2.gz SHTTZGFMMLUXDU-WDNDVIMCSA-N 2 1 222.376 2.344 20 0 BEADMP C[N@@H+](CCC1CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155660 969470041 /nfs/dbraw/zinc/47/00/41/969470041.db2.gz ULRCHSPHQABJBW-BTTYYORXSA-N 2 1 222.376 2.344 20 0 BEADMP C[NH+](CCC1CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169155660 969470050 /nfs/dbraw/zinc/47/00/50/969470050.db2.gz ULRCHSPHQABJBW-BTTYYORXSA-N 2 1 222.376 2.344 20 0 BEADMP C[NH+](CCC1CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169155660 969470057 /nfs/dbraw/zinc/47/00/57/969470057.db2.gz ULRCHSPHQABJBW-BTTYYORXSA-N 2 1 222.376 2.344 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@@H]3C[C@H]1C[C@@H]3F)C2 ZINC001169155854 969472541 /nfs/dbraw/zinc/47/25/41/969472541.db2.gz VKBKDWHNFCUOEH-VPCRRHSYSA-N 2 1 238.350 2.044 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3C[C@H]1C[C@@H]3F)C2 ZINC001169155854 969472546 /nfs/dbraw/zinc/47/25/46/969472546.db2.gz VKBKDWHNFCUOEH-VPCRRHSYSA-N 2 1 238.350 2.044 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@@H]3C[C@H]1C[C@@H]3F)C2 ZINC001169155854 969472553 /nfs/dbraw/zinc/47/25/53/969472553.db2.gz VKBKDWHNFCUOEH-VPCRRHSYSA-N 2 1 238.350 2.044 20 0 BEADMP CC[N@@H+](C)C1CC[NH+](C[C@H]2C[C@@H]2C)CC1 ZINC001209427103 969498040 /nfs/dbraw/zinc/49/80/40/969498040.db2.gz OKBCGBXLPYYFHP-NWDGAFQWSA-N 2 1 210.365 2.059 20 0 BEADMP C(C[N@H+]1CCCC12CC2)C[NH+]1CCCCC1 ZINC001209447653 969516645 /nfs/dbraw/zinc/51/66/45/969516645.db2.gz BHMLCTHTHHGWQB-UHFFFAOYSA-N 2 1 222.376 2.491 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](OC)CC2)CC1 ZINC001169244189 969527669 /nfs/dbraw/zinc/52/76/69/969527669.db2.gz GWLLBMOANOAFPM-XBXGTLAGSA-N 2 1 240.391 2.018 20 0 BEADMP CC[NH+]1CCC([N@@H+]2CCC(F)(F)[C@@H](C)C2)CC1 ZINC001169245687 969537197 /nfs/dbraw/zinc/53/71/97/969537197.db2.gz HHHSRCAPFSFODR-NSHDSACASA-N 2 1 246.345 2.448 20 0 BEADMP CC[NH+]1CCC([N@H+]2CCC(F)(F)[C@@H](C)C2)CC1 ZINC001169245687 969537204 /nfs/dbraw/zinc/53/72/04/969537204.db2.gz HHHSRCAPFSFODR-NSHDSACASA-N 2 1 246.345 2.448 20 0 BEADMP CC[NH+]1CCC([N@@H+]2CCC[C@H](CF)C2)CC1 ZINC001169258617 969543865 /nfs/dbraw/zinc/54/38/65/969543865.db2.gz OSHWHUYYEVBKQG-GFCCVEGCSA-N 2 1 228.355 2.152 20 0 BEADMP CC[NH+]1CCC([N@H+]2CCC[C@H](CF)C2)CC1 ZINC001169258617 969543866 /nfs/dbraw/zinc/54/38/66/969543866.db2.gz OSHWHUYYEVBKQG-GFCCVEGCSA-N 2 1 228.355 2.152 20 0 BEADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](C(F)F)C2)CC1 ZINC001169259035 969546258 /nfs/dbraw/zinc/54/62/58/969546258.db2.gz ZIFZXVRKLJUVOA-LLVKDONJSA-N 2 1 246.345 2.448 20 0 BEADMP CC[NH+]1CCC([N@H+]2CCC[C@@H](C(F)F)C2)CC1 ZINC001169259035 969546263 /nfs/dbraw/zinc/54/62/63/969546263.db2.gz ZIFZXVRKLJUVOA-LLVKDONJSA-N 2 1 246.345 2.448 20 0 BEADMP Nc1cc[nH+]cc1C[N@@H+]1CCC12CCCCC2 ZINC001209730050 969587548 /nfs/dbraw/zinc/58/75/48/969587548.db2.gz RTWUKBVZKVMIAS-UHFFFAOYSA-N 2 1 231.343 2.403 20 0 BEADMP Nc1cc[nH+]cc1C[N@H+]1CCC12CCCCC2 ZINC001209730050 969587554 /nfs/dbraw/zinc/58/75/54/969587554.db2.gz RTWUKBVZKVMIAS-UHFFFAOYSA-N 2 1 231.343 2.403 20 0 BEADMP Nc1cc[nH+]cc1C[NH+]1C2CCCC1CCC2 ZINC001209732662 969592336 /nfs/dbraw/zinc/59/23/36/969592336.db2.gz KUTYXFXFMBFBOB-UHFFFAOYSA-N 2 1 231.343 2.401 20 0 BEADMP C[N@@H+]1C[C@@H]2C[NH+](C3CCC4(CC4)CC3)C[C@@H]2C1 ZINC001254445963 969632368 /nfs/dbraw/zinc/63/23/68/969632368.db2.gz SHOCYYWXAYQGEH-BETUJISGSA-N 2 1 234.387 2.203 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+](C3CCC4(CC4)CC3)C[C@@H]2C1 ZINC001254445963 969632377 /nfs/dbraw/zinc/63/23/77/969632377.db2.gz SHOCYYWXAYQGEH-BETUJISGSA-N 2 1 234.387 2.203 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](C3CCC4(CC4)CC3)C[C@@H]2C1 ZINC001254445963 969632380 /nfs/dbraw/zinc/63/23/80/969632380.db2.gz SHOCYYWXAYQGEH-BETUJISGSA-N 2 1 234.387 2.203 20 0 BEADMP Cc1cc(Nc2ccc3[nH]c[nH+]c3c2)cc[nH+]1 ZINC001209841440 969652191 /nfs/dbraw/zinc/65/21/91/969652191.db2.gz ORRAHRFSAFKCFB-UHFFFAOYSA-N 2 1 224.267 2.432 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+]C2(CC3CC3)CC2)CC1 ZINC001254511963 969683164 /nfs/dbraw/zinc/68/31/64/969683164.db2.gz HNSNJVONZXPFMW-CYBMUJFWSA-N 2 1 222.376 2.393 20 0 BEADMP C[N@H+](Cc1cccc(O)c1)[C@@H]1CCC[NH+](C)CC1 ZINC001254517360 969694450 /nfs/dbraw/zinc/69/44/50/969694450.db2.gz UZWKDUJESJBDDH-CQSZACIVSA-N 2 1 248.370 2.308 20 0 BEADMP C[N@@H+](Cc1cccc(O)c1)[C@@H]1CCC[NH+](C)CC1 ZINC001254517360 969694456 /nfs/dbraw/zinc/69/44/56/969694456.db2.gz UZWKDUJESJBDDH-CQSZACIVSA-N 2 1 248.370 2.308 20 0 BEADMP C[NH+](Cc1cccc(O)c1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254517360 969694459 /nfs/dbraw/zinc/69/44/59/969694459.db2.gz UZWKDUJESJBDDH-CQSZACIVSA-N 2 1 248.370 2.308 20 0 BEADMP C[NH+](Cc1cccc(O)c1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254517360 969694470 /nfs/dbraw/zinc/69/44/70/969694470.db2.gz UZWKDUJESJBDDH-CQSZACIVSA-N 2 1 248.370 2.308 20 0 BEADMP C[N@@H+](CCc1ccncc1)[C@H]1CCC[NH+](C)CC1 ZINC001254522153 969711189 /nfs/dbraw/zinc/71/11/89/969711189.db2.gz CZYPOMNLTUHXCK-HNNXBMFYSA-N 2 1 247.386 2.040 20 0 BEADMP C[NH+](CCc1ccncc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254522153 969711203 /nfs/dbraw/zinc/71/12/03/969711203.db2.gz CZYPOMNLTUHXCK-HNNXBMFYSA-N 2 1 247.386 2.040 20 0 BEADMP C[NH+](CCc1ccncc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254522153 969711212 /nfs/dbraw/zinc/71/12/12/969711212.db2.gz CZYPOMNLTUHXCK-HNNXBMFYSA-N 2 1 247.386 2.040 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@H](CF)C2)CC1 ZINC001254524665 969721289 /nfs/dbraw/zinc/72/12/89/969721289.db2.gz YIOFIXUNOWACDW-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@H](CF)C2)CC1 ZINC001254524665 969721297 /nfs/dbraw/zinc/72/12/97/969721297.db2.gz YIOFIXUNOWACDW-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@H](CF)C2)CC1 ZINC001254524665 969721302 /nfs/dbraw/zinc/72/13/02/969721302.db2.gz YIOFIXUNOWACDW-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[N@@H+]1CCC[C@@H]([NH+](CC2CC2)C2CC2)CC1 ZINC001254532792 969728319 /nfs/dbraw/zinc/72/83/19/969728319.db2.gz XBOCCEADBYEMHB-CYBMUJFWSA-N 2 1 222.376 2.345 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+](CC2CC2)C2CC2)CC1 ZINC001254532792 969728326 /nfs/dbraw/zinc/72/83/26/969728326.db2.gz XBOCCEADBYEMHB-CYBMUJFWSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@@H]([N@H+](CC2CC2)C2CC2)CC1 ZINC001254532792 969728334 /nfs/dbraw/zinc/72/83/34/969728334.db2.gz XBOCCEADBYEMHB-CYBMUJFWSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@@H]([N@@H+](CC2CC2)C2CC2)CC1 ZINC001254532792 969728341 /nfs/dbraw/zinc/72/83/41/969728341.db2.gz XBOCCEADBYEMHB-CYBMUJFWSA-N 2 1 222.376 2.345 20 0 BEADMP Cc1cc(NCC[C@H]2CCC[NH2+]2)[nH+]c2cc[nH]c21 ZINC001169568645 969766741 /nfs/dbraw/zinc/76/67/41/969766741.db2.gz FLUKLEIAENBQAV-LLVKDONJSA-N 2 1 244.342 2.425 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)C1Cc2ccccc2C1 ZINC001255026253 969850794 /nfs/dbraw/zinc/85/07/94/969850794.db2.gz RQAKMNAOPNKRPZ-UHFFFAOYSA-N 2 1 246.398 2.427 20 0 BEADMP CNc1ccc(NCC23CC[NH+](CC2)CC3)c[nH+]1 ZINC001169795735 969859943 /nfs/dbraw/zinc/85/99/43/969859943.db2.gz CYRNACMTXSRKDJ-UHFFFAOYSA-N 2 1 246.358 2.021 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)C1CCSCC1 ZINC001255094468 969931118 /nfs/dbraw/zinc/93/11/18/969931118.db2.gz DCDZARCBORIKLG-UHFFFAOYSA-N 2 1 230.421 2.156 20 0 BEADMP CCCCc1ccc(C[NH+]2CC(C[NH3+])C2)cc1 ZINC001210545843 969932134 /nfs/dbraw/zinc/93/21/34/969932134.db2.gz RSNQQSDNBKEORM-UHFFFAOYSA-N 2 1 232.371 2.420 20 0 BEADMP [NH2+]=CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255126485 969943700 /nfs/dbraw/zinc/94/37/00/969943700.db2.gz MUULPGPNIPZGQT-QDMKHBRRSA-N 2 1 243.354 2.379 20 0 BEADMP [NH2+]=CN[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255387975 970126150 /nfs/dbraw/zinc/12/61/50/970126150.db2.gz WQMOBMOGAJFUCV-AWEZNQCLSA-N 2 1 231.343 2.238 20 0 BEADMP C[N@H+]1CCC[C@@H](n2c(C[NH3+])cc3ccccc32)C1 ZINC001255467415 970193362 /nfs/dbraw/zinc/19/33/62/970193362.db2.gz CGTLOGDIMPCANC-CYBMUJFWSA-N 2 1 243.354 2.367 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+]2C)C1 ZINC001170114040 970328705 /nfs/dbraw/zinc/32/87/05/970328705.db2.gz ZTNXAKBDJYQRAY-YNEHKIRRSA-N 2 1 210.365 2.249 20 0 BEADMP COC[C@H](C)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255563505 970349158 /nfs/dbraw/zinc/34/91/58/970349158.db2.gz VMTTXOPSPJSKKY-OBJOEFQTSA-N 2 1 240.391 2.146 20 0 BEADMP C[C@H]1CC[C@@H]([N@@H+](C)C2CCN(C)CC2)C1 ZINC001170124230 970368877 /nfs/dbraw/zinc/36/88/77/970368877.db2.gz FVPPQXYIYHLJOA-WCQYABFASA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@H](F)C[N@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255674119 970453931 /nfs/dbraw/zinc/45/39/31/970453931.db2.gz KZXWAIWTQSFWRU-ZBBUEOHVSA-N 2 1 240.366 2.434 20 0 BEADMP C[C@@H]1C[C@H](F)C[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255674119 970453937 /nfs/dbraw/zinc/45/39/37/970453937.db2.gz KZXWAIWTQSFWRU-ZBBUEOHVSA-N 2 1 240.366 2.434 20 0 BEADMP C[C@@H]1C[C@H](F)C[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255674119 970453942 /nfs/dbraw/zinc/45/39/42/970453942.db2.gz KZXWAIWTQSFWRU-ZBBUEOHVSA-N 2 1 240.366 2.434 20 0 BEADMP [NH3+]CC1([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001255700173 970457621 /nfs/dbraw/zinc/45/76/21/970457621.db2.gz KBSPUKLOZIFONN-IUCAKERBSA-N 2 1 236.281 2.188 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CC[C@H](C)C1 ZINC001170156376 970481403 /nfs/dbraw/zinc/48/14/03/970481403.db2.gz DUDNIHKFWMOWPX-STQMWFEESA-N 2 1 212.381 2.449 20 0 BEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H](C)Cc1ccccc1F ZINC001255841328 970500580 /nfs/dbraw/zinc/50/05/80/970500580.db2.gz RTIAIMVEZPOHGW-VXGBXAGGSA-N 2 1 238.350 2.283 20 0 BEADMP C[C@@H](Cc1ccccc1F)n1c[nH+]cc1CC[NH3+] ZINC001255829170 970502473 /nfs/dbraw/zinc/50/24/73/970502473.db2.gz DXZKQJYIXPIREP-NSHDSACASA-N 2 1 247.317 2.327 20 0 BEADMP CSC[C@H]1CCC[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000400130852 970548706 /nfs/dbraw/zinc/54/87/06/970548706.db2.gz SBEGGUXVCUMSGP-CHWSQXEVSA-N 2 1 242.432 2.204 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000400131572 970549217 /nfs/dbraw/zinc/54/92/17/970549217.db2.gz VGFZHIKAIFMQNU-HHTDUIENSA-N 2 1 222.376 2.093 20 0 BEADMP CSC[C@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000400299570 970574182 /nfs/dbraw/zinc/57/41/82/970574182.db2.gz SYEBHCXOBVNYFS-GFCCVEGCSA-N 2 1 230.421 2.333 20 0 BEADMP C[C@@H]([NH2+]CCSC(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000400461928 970591787 /nfs/dbraw/zinc/59/17/87/970591787.db2.gz UVMHMQOPIWHJFW-MNOVXSKESA-N 2 1 230.421 2.248 20 0 BEADMP Cc1cc[nH+]c(C)c1NC[C@@H]1CCCC[NH2+]1 ZINC000304465652 970601280 /nfs/dbraw/zinc/60/12/80/970601280.db2.gz FKKVQKBJKRIJHA-LBPRGKRZSA-N 2 1 219.332 2.252 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)[C@H]1CCCOC1 ZINC001255969066 970606816 /nfs/dbraw/zinc/60/68/16/970606816.db2.gz STUBICAUXABXCL-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@@H](C(C)=O)C1 ZINC001255970316 970608244 /nfs/dbraw/zinc/60/82/44/970608244.db2.gz CBCNVPUKLKQONW-TZMCWYRMSA-N 2 1 240.391 2.018 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@H](C(C)=O)C1 ZINC001255970316 970608250 /nfs/dbraw/zinc/60/82/50/970608250.db2.gz CBCNVPUKLKQONW-TZMCWYRMSA-N 2 1 240.391 2.018 20 0 BEADMP F[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001256065831 970632189 /nfs/dbraw/zinc/63/21/89/970632189.db2.gz HKQQFOILNYEXNL-TXEJJXNPSA-N 2 1 240.366 2.484 20 0 BEADMP C1CC1[NH+]1CCC([N@@H+]2CCC3(CC3)C2)CC1 ZINC001256075065 970643407 /nfs/dbraw/zinc/64/34/07/970643407.db2.gz BZJNZBVTBICDLN-UHFFFAOYSA-N 2 1 220.360 2.099 20 0 BEADMP C1CC1[NH+]1CCC([N@H+]2CCC3(CC3)C2)CC1 ZINC001256075065 970643420 /nfs/dbraw/zinc/64/34/20/970643420.db2.gz BZJNZBVTBICDLN-UHFFFAOYSA-N 2 1 220.360 2.099 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC001256197797 970689261 /nfs/dbraw/zinc/68/92/61/970689261.db2.gz SLPDFVNOGXVMHS-HUUCEWRRSA-N 2 1 248.345 2.365 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2CCc3sccc32)CC1 ZINC001256201360 970696042 /nfs/dbraw/zinc/69/60/42/970696042.db2.gz HMWBFWQEDAATDS-LBPRGKRZSA-N 2 1 236.384 2.419 20 0 BEADMP C[NH+]1CCC([NH2+]Cc2ccc3ocnc3c2)CC1 ZINC001256200064 970696849 /nfs/dbraw/zinc/69/68/49/970696849.db2.gz LDTNYWHSZWVJSG-UHFFFAOYSA-N 2 1 245.326 2.012 20 0 BEADMP C[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)CC1 ZINC001256203292 970703595 /nfs/dbraw/zinc/70/35/95/970703595.db2.gz UZYYSWGMEHRGQO-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)CC1 ZINC001256203292 970703599 /nfs/dbraw/zinc/70/35/99/970703599.db2.gz UZYYSWGMEHRGQO-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1CCC[N@H+](C2CCN(C)CC2)[C@@H]1C ZINC001256207231 970714857 /nfs/dbraw/zinc/71/48/57/970714857.db2.gz DAHXUSYAADEEHS-VXGBXAGGSA-N 2 1 210.365 2.201 20 0 BEADMP CC(C)CC[C@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001256357583 970733596 /nfs/dbraw/zinc/73/35/96/970733596.db2.gz IBYATORXIZULOB-RYUDHWBXSA-N 2 1 200.370 2.338 20 0 BEADMP CCCCC[C@H](C)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246545983 972660045 /nfs/dbraw/zinc/66/00/45/972660045.db2.gz XUBJYZWDTIIYLM-UONOGXRCSA-N 2 1 242.407 2.131 20 0 BEADMP CSCC[C@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246549578 972696389 /nfs/dbraw/zinc/69/63/89/972696389.db2.gz MMYXUUXDALAISA-RYUDHWBXSA-N 2 1 248.411 2.281 20 0 BEADMP C[C@@]1([NH3+])CCC[N@H+]([C@H]2CCCSC2)CC1 ZINC001246554025 972744192 /nfs/dbraw/zinc/74/41/92/972744192.db2.gz USEODRNRKORXQE-NWDGAFQWSA-N 2 1 228.405 2.085 20 0 BEADMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2CCCSC2)CC1 ZINC001246554023 972745882 /nfs/dbraw/zinc/74/58/82/972745882.db2.gz USEODRNRKORXQE-NEPJUHHUSA-N 2 1 228.405 2.085 20 0 BEADMP CCC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246562873 972787200 /nfs/dbraw/zinc/78/72/00/972787200.db2.gz BQVAXCISEYNAQT-AGIUHOORSA-N 2 1 212.381 2.482 20 0 BEADMP CCC(CC)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246570826 972843712 /nfs/dbraw/zinc/84/37/12/972843712.db2.gz WAOYUPUOOVKNMF-NEPJUHHUSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@]1(F)CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246579574 972909445 /nfs/dbraw/zinc/90/94/45/972909445.db2.gz ZPYGNEHWWOZHPG-PIGZVRMJSA-N 2 1 240.366 2.484 20 0 BEADMP CC1(C)CC[C@H]([N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)C1 ZINC001246595964 973003717 /nfs/dbraw/zinc/00/37/17/973003717.db2.gz YEOJRLSYVYPSRK-TUAOUCFPSA-N 2 1 228.355 2.326 20 0 BEADMP CC1(C)CC[C@H]([N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)C1 ZINC001246595964 973003730 /nfs/dbraw/zinc/00/37/30/973003730.db2.gz YEOJRLSYVYPSRK-TUAOUCFPSA-N 2 1 228.355 2.326 20 0 BEADMP CC[C@H](C)C[C@H](CC)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246616107 973037292 /nfs/dbraw/zinc/03/72/92/973037292.db2.gz YDNAESMJCWAJDZ-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP CCCC[C@H](C)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246655150 973071100 /nfs/dbraw/zinc/07/11/00/973071100.db2.gz GJZJEZIUCIOBBU-XQQFMLRXSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1CC([N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])C[C@H](C)C1 ZINC001246839071 973143989 /nfs/dbraw/zinc/14/39/89/973143989.db2.gz APYZHVUHTQJOEZ-XLFUENPSSA-N 2 1 236.403 2.480 20 0 BEADMP CC(C)CC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246866312 973220121 /nfs/dbraw/zinc/22/01/21/973220121.db2.gz JFMTWUSJTMIABR-IHRRRGAJSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)(C)C1CCC([N@@H+]2C[C@@H]3[NH2+]C[C@H]3C2)CC1 ZINC001246928466 973544910 /nfs/dbraw/zinc/54/49/10/973544910.db2.gz ZYOPJKSKJDISFO-ABXWRUBCSA-N 2 1 236.403 2.495 20 0 BEADMP F[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC001329499109 973800724 /nfs/dbraw/zinc/80/07/24/973800724.db2.gz ONQLGWRDYWNVCG-RFGFWPKPSA-N 2 1 240.366 2.484 20 0 BEADMP Fc1cc2[nH]c[nH+]c2cc1NC[C@H]1CCCC[NH2+]1 ZINC001171335161 973868206 /nfs/dbraw/zinc/86/82/06/973868206.db2.gz NAPLUAYUXXCZRT-SECBINFHSA-N 2 1 248.305 2.256 20 0 BEADMP CC(C)(C[NH3+])[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171397716 974006137 /nfs/dbraw/zinc/00/61/37/974006137.db2.gz SZCCOQZBBKYPNC-LLVKDONJSA-N 2 1 236.334 2.010 20 0 BEADMP CCOC(=[NH2+])CCCCO[C@@H](C)C[NH+](C)C ZINC001224963149 974103343 /nfs/dbraw/zinc/10/33/43/974103343.db2.gz HHYSEPXDQNOLLO-NSHDSACASA-N 2 1 230.352 2.137 20 0 BEADMP COCC[N@@H+](C)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171628690 974107995 /nfs/dbraw/zinc/10/79/95/974107995.db2.gz GKIAJOLXMNLKSA-UHFFFAOYSA-N 2 1 242.407 2.216 20 0 BEADMP CCC(CC)C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206152815 974228173 /nfs/dbraw/zinc/22/81/73/974228173.db2.gz BEJPOQILGXHIMV-VXGBXAGGSA-N 2 1 216.344 2.184 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206152815 974228188 /nfs/dbraw/zinc/22/81/88/974228188.db2.gz BEJPOQILGXHIMV-VXGBXAGGSA-N 2 1 216.344 2.184 20 0 BEADMP [NH3+][C@H]1CC[N@@H+](CCCC(F)(F)F)CC[C@@H]1F ZINC001206153640 974259844 /nfs/dbraw/zinc/25/98/44/974259844.db2.gz CXAMZBPKYKONHI-IUCAKERBSA-N 2 1 242.260 2.090 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(C)CC1)C2 ZINC001172101166 974334464 /nfs/dbraw/zinc/33/44/64/974334464.db2.gz XECFOYRXXZCICW-ZSBIGDGJSA-N 2 1 208.349 2.144 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(C)CC1)C2 ZINC001172101166 974334472 /nfs/dbraw/zinc/33/44/72/974334472.db2.gz XECFOYRXXZCICW-ZSBIGDGJSA-N 2 1 208.349 2.144 20 0 BEADMP C[C@H]([NH3+])c1nccn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098430 974336245 /nfs/dbraw/zinc/33/62/45/974336245.db2.gz DWPHZWXIDWHONC-RVMXOQNASA-N 2 1 248.374 2.091 20 0 BEADMP CCC[C@H](C)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156242 974340811 /nfs/dbraw/zinc/34/08/11/974340811.db2.gz PGFZUGGEWANAQA-SDDRHHMPSA-N 2 1 216.344 2.184 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156242 974340818 /nfs/dbraw/zinc/34/08/18/974340818.db2.gz PGFZUGGEWANAQA-SDDRHHMPSA-N 2 1 216.344 2.184 20 0 BEADMP Cc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156389 974342206 /nfs/dbraw/zinc/34/22/06/974342206.db2.gz QMNIKRVMJWIZPQ-KBPBESRZSA-N 2 1 236.334 2.256 20 0 BEADMP Cc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156389 974342208 /nfs/dbraw/zinc/34/22/08/974342208.db2.gz QMNIKRVMJWIZPQ-KBPBESRZSA-N 2 1 236.334 2.256 20 0 BEADMP CC(C)(C)CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156194 974342418 /nfs/dbraw/zinc/34/24/18/974342418.db2.gz OLHMMTCTTGJHCP-WDEREUQCSA-N 2 1 216.344 2.184 20 0 BEADMP CC(C)(C)CC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156194 974342427 /nfs/dbraw/zinc/34/24/27/974342427.db2.gz OLHMMTCTTGJHCP-WDEREUQCSA-N 2 1 216.344 2.184 20 0 BEADMP CC1CC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172099706 974343385 /nfs/dbraw/zinc/34/33/85/974343385.db2.gz MYUWKPLUOBIAGO-MOIJGLSHSA-N 2 1 222.376 2.390 20 0 BEADMP CC1CC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172099706 974343390 /nfs/dbraw/zinc/34/33/90/974343390.db2.gz MYUWKPLUOBIAGO-MOIJGLSHSA-N 2 1 222.376 2.390 20 0 BEADMP Cc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)on1 ZINC001172100508 974346234 /nfs/dbraw/zinc/34/62/34/974346234.db2.gz CXRGTPBWOBWEAN-XYYAHUGASA-N 2 1 249.358 2.088 20 0 BEADMP Cc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)on1 ZINC001172100508 974346239 /nfs/dbraw/zinc/34/62/39/974346239.db2.gz CXRGTPBWOBWEAN-XYYAHUGASA-N 2 1 249.358 2.088 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1CC1)C2 ZINC001172100135 974346820 /nfs/dbraw/zinc/34/68/20/974346820.db2.gz NMXBIFCJCQQITD-XYYAHUGASA-N 2 1 208.349 2.001 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]3C[C@@H]31)C2 ZINC001172129920 974353394 /nfs/dbraw/zinc/35/33/94/974353394.db2.gz MEPISAUBPCWGPM-MRLBHPIUSA-N 2 1 234.387 2.486 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]3C[C@@H]31)C2 ZINC001172129920 974353403 /nfs/dbraw/zinc/35/34/03/974353403.db2.gz MEPISAUBPCWGPM-MRLBHPIUSA-N 2 1 234.387 2.486 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]3C[C@@H]31)C2 ZINC001172129920 974353412 /nfs/dbraw/zinc/35/34/12/974353412.db2.gz MEPISAUBPCWGPM-MRLBHPIUSA-N 2 1 234.387 2.486 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]3C[C@@H]31)C2 ZINC001172129920 974353420 /nfs/dbraw/zinc/35/34/20/974353420.db2.gz MEPISAUBPCWGPM-MRLBHPIUSA-N 2 1 234.387 2.486 20 0 BEADMP CSCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172103099 974360885 /nfs/dbraw/zinc/36/08/85/974360885.db2.gz RVOAEWQSKWBUJH-CLLJXQQHSA-N 2 1 242.432 2.344 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(F)CCC1)C2 ZINC001172107768 974369860 /nfs/dbraw/zinc/36/98/60/974369860.db2.gz BXFKATZVSGUJSB-XYYAHUGASA-N 2 1 240.366 2.484 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C)[C@@H]1CC1(F)F ZINC001330628004 974374990 /nfs/dbraw/zinc/37/49/90/974374990.db2.gz ZXBZOCNKOSMYJQ-YFKTTZPYSA-N 2 1 246.345 2.493 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC1)C2 ZINC001172115152 974378829 /nfs/dbraw/zinc/37/88/29/974378829.db2.gz VIBFBUBPTJIKHY-CLLJXQQHSA-N 2 1 208.349 2.098 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC1)C2 ZINC001172115152 974378838 /nfs/dbraw/zinc/37/88/38/974378838.db2.gz VIBFBUBPTJIKHY-CLLJXQQHSA-N 2 1 208.349 2.098 20 0 BEADMP C[C@@H]1C[C@@H](F)C[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120479 974380641 /nfs/dbraw/zinc/38/06/41/974380641.db2.gz KZXWAIWTQSFWRU-XGFWRYKXSA-N 2 1 240.366 2.434 20 0 BEADMP C[C@@H]1C[C@@H](F)C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120479 974380649 /nfs/dbraw/zinc/38/06/49/974380649.db2.gz KZXWAIWTQSFWRU-XGFWRYKXSA-N 2 1 240.366 2.434 20 0 BEADMP C[C@@H]1C[C@@H](F)C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120479 974380658 /nfs/dbraw/zinc/38/06/58/974380658.db2.gz KZXWAIWTQSFWRU-XGFWRYKXSA-N 2 1 240.366 2.434 20 0 BEADMP C[C@@H]1C[C@H](F)C[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120486 974384155 /nfs/dbraw/zinc/38/41/55/974384155.db2.gz KZXWAIWTQSFWRU-XHJNMGKDSA-N 2 1 240.366 2.434 20 0 BEADMP C[C@@H]1C[C@H](F)C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120486 974384165 /nfs/dbraw/zinc/38/41/65/974384165.db2.gz KZXWAIWTQSFWRU-XHJNMGKDSA-N 2 1 240.366 2.434 20 0 BEADMP C[C@@H]1C[C@H](F)C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120486 974384175 /nfs/dbraw/zinc/38/41/75/974384175.db2.gz KZXWAIWTQSFWRU-XHJNMGKDSA-N 2 1 240.366 2.434 20 0 BEADMP CC[C@@H](COC)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172118588 974386355 /nfs/dbraw/zinc/38/63/55/974386355.db2.gz RZPJPGUREFEPIF-FQUUOJAGSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@@H](COC)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118588 974386366 /nfs/dbraw/zinc/38/63/66/974386366.db2.gz RZPJPGUREFEPIF-FQUUOJAGSA-N 2 1 240.391 2.016 20 0 BEADMP CC/C=C\CCC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206157453 974391411 /nfs/dbraw/zinc/39/14/11/974391411.db2.gz YTFIQBKWMWNEPC-JXLSXLBDSA-N 2 1 228.355 2.494 20 0 BEADMP CC/C=C\CCC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206157453 974391417 /nfs/dbraw/zinc/39/14/17/974391417.db2.gz YTFIQBKWMWNEPC-JXLSXLBDSA-N 2 1 228.355 2.494 20 0 BEADMP C[C@@H]1CC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121709 974391705 /nfs/dbraw/zinc/39/17/05/974391705.db2.gz SXQTXKMLKDJGFG-FVCCEPFGSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@@H]1CC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121709 974391717 /nfs/dbraw/zinc/39/17/17/974391717.db2.gz SXQTXKMLKDJGFG-FVCCEPFGSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@@H]1CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121709 974391732 /nfs/dbraw/zinc/39/17/32/974391732.db2.gz SXQTXKMLKDJGFG-FVCCEPFGSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@@H]1CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121709 974391740 /nfs/dbraw/zinc/39/17/40/974391740.db2.gz SXQTXKMLKDJGFG-FVCCEPFGSA-N 2 1 208.349 2.096 20 0 BEADMP C[NH+](C)Cc1ccc(O[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001225330816 974405460 /nfs/dbraw/zinc/40/54/60/974405460.db2.gz QRICVQNQGVXDFJ-OAHLLOKOSA-N 2 1 248.370 2.221 20 0 BEADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1COC(C)(C)C1 ZINC001172269558 974486423 /nfs/dbraw/zinc/48/64/23/974486423.db2.gz FWVWHTDCBWWGOJ-ZDUSSCGKSA-N 2 1 242.407 2.266 20 0 BEADMP COCCC[NH+]1CCC([NH2+]C2(C)CCC2)CC1 ZINC001172244148 974510360 /nfs/dbraw/zinc/51/03/60/974510360.db2.gz LOZSXAXJKUKQFQ-UHFFFAOYSA-N 2 1 240.391 2.020 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001172315676 974521625 /nfs/dbraw/zinc/52/16/25/974521625.db2.gz CLAYFPBLKAVOLF-MELADBBJSA-N 2 1 242.407 2.121 20 0 BEADMP Cc1cc(N2CCC[C@@]3(CC[N@H+](C)C3)C2)cc[nH+]1 ZINC001277063963 974641448 /nfs/dbraw/zinc/64/14/48/974641448.db2.gz CUHLZJINYWOQBG-HNNXBMFYSA-N 2 1 245.370 2.312 20 0 BEADMP CC(C)OCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001172437790 974792651 /nfs/dbraw/zinc/79/26/51/974792651.db2.gz JGKDOPFLVYICLU-UONOGXRCSA-N 2 1 242.407 2.264 20 0 BEADMP CC(C)OCC[C@@H](C)n1cc[nH+]c1CCC[NH3+] ZINC001172440923 974797900 /nfs/dbraw/zinc/79/79/00/974797900.db2.gz QROKICUUJJUOHV-GFCCVEGCSA-N 2 1 239.363 2.151 20 0 BEADMP [NH3+][C@H]1CC[N@@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172546175 974879559 /nfs/dbraw/zinc/87/95/59/974879559.db2.gz KHYPTHNTQAKELJ-ILXRZTDVSA-N 2 1 230.355 2.356 20 0 BEADMP [NH3+][C@H]1CC[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172546175 974879563 /nfs/dbraw/zinc/87/95/63/974879563.db2.gz KHYPTHNTQAKELJ-ILXRZTDVSA-N 2 1 230.355 2.356 20 0 BEADMP CC[N@@H+](Cc1ccc(O)cc1)C1CCN(C)CC1 ZINC001204093298 974896461 /nfs/dbraw/zinc/89/64/61/974896461.db2.gz BTTCRWKGOQJHBQ-UHFFFAOYSA-N 2 1 248.370 2.308 20 0 BEADMP c1[nH]c2ccc(NC[C@H]3CCCC[NH2+]3)cc2[nH+]1 ZINC000258760616 974958529 /nfs/dbraw/zinc/95/85/29/974958529.db2.gz ABIPSIMJMUUDOU-LLVKDONJSA-N 2 1 230.315 2.117 20 0 BEADMP CCSC[C@@H](C)[N@@H+](CCC[NH3+])C(C)C ZINC001173293183 975169566 /nfs/dbraw/zinc/16/95/66/975169566.db2.gz XZJMREWWZMIYJJ-LLVKDONJSA-N 2 1 218.410 2.187 20 0 BEADMP CCSC[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001173293204 975170993 /nfs/dbraw/zinc/17/09/93/975170993.db2.gz YQNWEHVLURYLST-STQMWFEESA-N 2 1 244.448 2.450 20 0 BEADMP CC[C@H]1CC[C@@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC001173295143 975176059 /nfs/dbraw/zinc/17/60/59/975176059.db2.gz PZNJVIDUNBCBHR-IGQOVBAYSA-N 2 1 222.376 2.059 20 0 BEADMP CC[C@H]1CC[C@@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC001173295143 975176068 /nfs/dbraw/zinc/17/60/68/975176068.db2.gz PZNJVIDUNBCBHR-IGQOVBAYSA-N 2 1 222.376 2.059 20 0 BEADMP CCSC[C@@H](C)n1c(C)c[nH+]c1CC[NH3+] ZINC001173290260 975256712 /nfs/dbraw/zinc/25/67/12/975256712.db2.gz CODFMKUJGLDJCS-SNVBAGLBSA-N 2 1 227.377 2.007 20 0 BEADMP Cc1ccc(NC(=[NH2+])NCC2([NH+](C)C)CC2)cc1 ZINC001333040190 975380407 /nfs/dbraw/zinc/38/04/07/975380407.db2.gz MNNTUMRLEWZYFQ-UHFFFAOYSA-N 2 1 246.358 2.025 20 0 BEADMP C[NH2+][C@@H](C)CCN[C@H](CCC[NH3+])c1ccccc1 ZINC001334389960 976488459 /nfs/dbraw/zinc/48/84/59/976488459.db2.gz KQKVXBOURRWFEG-DZGCQCFKSA-N 2 1 249.402 2.054 20 0 BEADMP C[NH2+][C@@H](C)CCN[C@@H](CCC[NH3+])c1ccccc1 ZINC001334389964 976489434 /nfs/dbraw/zinc/48/94/34/976489434.db2.gz KQKVXBOURRWFEG-ZFWWWQNUSA-N 2 1 249.402 2.054 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](Cc3ccccc3)C2)C1 ZINC001334775083 976644911 /nfs/dbraw/zinc/64/49/11/976644911.db2.gz QYOGEWTUSZJYEE-OAGGEKHMSA-N 2 1 244.382 2.288 20 0 BEADMP COc1ccc(C[NH2+]CCC[NH+]2CCC2)c(C)c1 ZINC001335149193 976866159 /nfs/dbraw/zinc/86/61/59/976866159.db2.gz CZJVLNCJDYSPMN-UHFFFAOYSA-N 2 1 248.370 2.189 20 0 BEADMP C[C@@H](c1cccc(O[C@@H]2CC[N@@H+](C)C2)c1)[NH+](C)C ZINC001229625594 976916277 /nfs/dbraw/zinc/91/62/77/976916277.db2.gz IDQDXBKJMSGZLZ-SWLSCSKDSA-N 2 1 248.370 2.392 20 0 BEADMP Cn1c[nH+]c2cccc(NC3=CCC[N@H+](C)C3)c21 ZINC001175578611 977598986 /nfs/dbraw/zinc/59/89/86/977598986.db2.gz NFMNQEAGZIFXCE-UHFFFAOYSA-N 2 1 242.326 2.205 20 0 BEADMP Cn1c[nH+]c2cccc(NC3=CCC[N@@H+](C)C3)c21 ZINC001175578611 977598991 /nfs/dbraw/zinc/59/89/91/977598991.db2.gz NFMNQEAGZIFXCE-UHFFFAOYSA-N 2 1 242.326 2.205 20 0 BEADMP C[N@H+]1CCC[C@H]2CN(c3cc[nH+]cc3)CC[C@@H]21 ZINC001336391778 977656595 /nfs/dbraw/zinc/65/65/95/977656595.db2.gz NFGAWVRZIADVHU-JSGCOSHPSA-N 2 1 231.343 2.002 20 0 BEADMP COc1cc[nH+]c(Nc2ccc(C[NH3+])cc2)c1 ZINC001175965133 977831787 /nfs/dbraw/zinc/83/17/87/977831787.db2.gz RAONQPULGXTNFK-UHFFFAOYSA-N 2 1 229.283 2.293 20 0 BEADMP Nc1cccc2[nH+]cn(-c3ccc(C[NH3+])cc3)c21 ZINC001175969550 977839162 /nfs/dbraw/zinc/83/91/62/977839162.db2.gz UYEAXXFAMWAFNR-UHFFFAOYSA-N 2 1 238.294 2.066 20 0 BEADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccoc3)C[C@@H]2C1 ZINC001336889260 978030518 /nfs/dbraw/zinc/03/05/18/978030518.db2.gz QITRCIQNIMPIFD-SOUVJXGZSA-N 2 1 248.370 2.442 20 0 BEADMP c1cc(N2CC3(CC[N@@H+]3C3CCCC3)C2)cc[nH+]1 ZINC001277693035 978207508 /nfs/dbraw/zinc/20/75/08/978207508.db2.gz CTJOSLQVNSLZFF-UHFFFAOYSA-N 2 1 243.354 2.289 20 0 BEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cscn2)CC1 ZINC001206304466 978374409 /nfs/dbraw/zinc/37/44/09/978374409.db2.gz KXSYKEZRODMZAA-GFCCVEGCSA-N 2 1 239.388 2.094 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C)C[C@H]2C)CC1 ZINC001179898652 978781653 /nfs/dbraw/zinc/78/16/53/978781653.db2.gz RKRJEWMOMYGVLV-QWHCGFSZSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000070643336 978861045 /nfs/dbraw/zinc/86/10/45/978861045.db2.gz DBURVKNRIMMDND-AVGNSLFASA-N 2 1 210.365 2.106 20 0 BEADMP Cc1nc(C)c(C[N@H+]2CCC[C@H]3C[C@H]32)[nH]1 ZINC001234656339 978892242 /nfs/dbraw/zinc/89/22/42/978892242.db2.gz YUJRFUIYGSBKBG-CMPLNLGQSA-N 2 1 205.305 2.011 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC001235005051 978947672 /nfs/dbraw/zinc/94/76/72/978947672.db2.gz VWBYIUXOKAPWBI-AJNGGQMLSA-N 2 1 234.387 2.415 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC001235005051 978947677 /nfs/dbraw/zinc/94/76/77/978947677.db2.gz VWBYIUXOKAPWBI-AJNGGQMLSA-N 2 1 234.387 2.415 20 0 BEADMP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21)C1CCCC1 ZINC001235036847 978958236 /nfs/dbraw/zinc/95/82/36/978958236.db2.gz BYKWWERUYDXZCD-QWHCGFSZSA-N 2 1 208.349 2.003 20 0 BEADMP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21)C1CCCC1 ZINC001235036847 978958240 /nfs/dbraw/zinc/95/82/40/978958240.db2.gz BYKWWERUYDXZCD-QWHCGFSZSA-N 2 1 208.349 2.003 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235124237 978976460 /nfs/dbraw/zinc/97/64/60/978976460.db2.gz LIFMWFYSFIMCAN-FZKCQIBNSA-N 2 1 246.398 2.417 20 0 BEADMP [NH3+][C@@]12C[C@@H]1CC[N@H+](CCCc1cccc(F)c1)C2 ZINC001235166812 978988408 /nfs/dbraw/zinc/98/84/08/978988408.db2.gz WCVCAINKAGXTSO-DZGCQCFKSA-N 2 1 248.345 2.181 20 0 BEADMP [NH3+][C@@]12C[C@@H]1CC[N@@H+](CCCc1cccc(F)c1)C2 ZINC001235166812 978988410 /nfs/dbraw/zinc/98/84/10/978988410.db2.gz WCVCAINKAGXTSO-DZGCQCFKSA-N 2 1 248.345 2.181 20 0 BEADMP CC1=C[C@@H](C)[C@@H](C[N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001235189203 978993208 /nfs/dbraw/zinc/99/32/08/978993208.db2.gz XSGUAPZLSMQTMR-APIJFGDWSA-N 2 1 234.387 2.273 20 0 BEADMP CC/C=C\CCCCC[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001235211043 979000734 /nfs/dbraw/zinc/00/07/34/979000734.db2.gz TVDSNXMOPJLDKU-YBVSHCEHSA-N 2 1 222.376 2.402 20 0 BEADMP c1nc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)co1 ZINC001235229528 979000987 /nfs/dbraw/zinc/00/09/87/979000987.db2.gz QDYRMRYCLAIRAI-CQSZACIVSA-N 2 1 249.358 2.029 20 0 BEADMP CC(C)=CCC[C@H](C)C[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001235284136 979016955 /nfs/dbraw/zinc/01/69/55/979016955.db2.gz UGLNMQLGIGRNLH-FQUUOJAGSA-N 2 1 222.376 2.258 20 0 BEADMP [NH3+][C@H]1[C@H]2C[N@H+](CCCCCc3ccccc3)C[C@@H]12 ZINC001235282115 979018335 /nfs/dbraw/zinc/01/83/35/979018335.db2.gz AXYWWWAZLVSHCG-MUJYYYPQSA-N 2 1 244.382 2.288 20 0 BEADMP Cc1ccccc1O[C@H]1CC[N@@H+](CCCC[NH3+])C1 ZINC001235675022 979111622 /nfs/dbraw/zinc/11/16/22/979111622.db2.gz MRIHHIAMNWVUNX-AWEZNQCLSA-N 2 1 248.370 2.187 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C12CC3CC(CC(C3)C1)C2 ZINC001235690060 979118247 /nfs/dbraw/zinc/11/82/47/979118247.db2.gz JUWYMCNXLWGECM-UHFFFAOYSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1ccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)c(C)c1 ZINC001235710789 979129299 /nfs/dbraw/zinc/12/92/99/979129299.db2.gz FBTJBHVZETZPHT-UHFFFAOYSA-N 2 1 244.382 2.489 20 0 BEADMP Cc1ccc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)cc1C ZINC001235710667 979129367 /nfs/dbraw/zinc/12/93/67/979129367.db2.gz DEZBUCPGWYTWJT-UHFFFAOYSA-N 2 1 244.382 2.489 20 0 BEADMP Cc1ccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)cc1C ZINC001235710667 979129375 /nfs/dbraw/zinc/12/93/75/979129375.db2.gz DEZBUCPGWYTWJT-UHFFFAOYSA-N 2 1 244.382 2.489 20 0 BEADMP CCc1cccc(C)c1C[N@@H+]1CCC[C@H]1C[NH3+] ZINC001235727267 979137335 /nfs/dbraw/zinc/13/73/35/979137335.db2.gz WANGNBHEUGAYHI-AWEZNQCLSA-N 2 1 232.371 2.481 20 0 BEADMP CCc1cccc(C)c1C[N@H+]1CCC[C@H]1C[NH3+] ZINC001235727267 979137343 /nfs/dbraw/zinc/13/73/43/979137343.db2.gz WANGNBHEUGAYHI-AWEZNQCLSA-N 2 1 232.371 2.481 20 0 BEADMP Cc1cccc(CC[N@H+]2C[C@H]([NH3+])CC[C@@H]2C)c1 ZINC001235891774 979185089 /nfs/dbraw/zinc/18/50/89/979185089.db2.gz IXVZKHJIAYXYRU-DZGCQCFKSA-N 2 1 232.371 2.349 20 0 BEADMP Cc1cccc(CC[N@@H+]2C[C@H]([NH3+])CC[C@@H]2C)c1 ZINC001235891774 979185093 /nfs/dbraw/zinc/18/50/93/979185093.db2.gz IXVZKHJIAYXYRU-DZGCQCFKSA-N 2 1 232.371 2.349 20 0 BEADMP Cc1cccc(CC[N@H+]2C[C@H]([NH3+])CC[C@H]2C)c1 ZINC001235891968 979185350 /nfs/dbraw/zinc/18/53/50/979185350.db2.gz IXVZKHJIAYXYRU-UKRRQHHQSA-N 2 1 232.371 2.349 20 0 BEADMP Cc1cccc(CC[N@@H+]2C[C@H]([NH3+])CC[C@H]2C)c1 ZINC001235891968 979185353 /nfs/dbraw/zinc/18/53/53/979185353.db2.gz IXVZKHJIAYXYRU-UKRRQHHQSA-N 2 1 232.371 2.349 20 0 BEADMP C[C@@H]1C[C@@H](C)C[NH+](CC[C@H]2COC(C)(C)[NH2+]2)C1 ZINC001235948252 979220417 /nfs/dbraw/zinc/22/04/17/979220417.db2.gz KYXASGKHKKBCBO-UPJWGTAASA-N 2 1 240.391 2.079 20 0 BEADMP [NH3+]CCCC[N@H+]1CC[C@H]1c1ccccc1 ZINC001235949851 979222485 /nfs/dbraw/zinc/22/24/85/979222485.db2.gz VAWUEZKPAQEHLN-ZDUSSCGKSA-N 2 1 204.317 2.172 20 0 BEADMP CC1(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)CCCCC1 ZINC001235981993 979259903 /nfs/dbraw/zinc/25/99/03/979259903.db2.gz ZUAJVVIGKRLKEA-OCCSQVGLSA-N 2 1 222.376 2.380 20 0 BEADMP [NH3+][C@@]12CC[C@H]1C[N@H+](CCCc1cccc(F)c1)C2 ZINC001235981817 979262638 /nfs/dbraw/zinc/26/26/38/979262638.db2.gz XRJVBDNFQWBTCG-DZGCQCFKSA-N 2 1 248.345 2.181 20 0 BEADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](CCCc1cccc(F)c1)C2 ZINC001235981817 979262642 /nfs/dbraw/zinc/26/26/42/979262642.db2.gz XRJVBDNFQWBTCG-DZGCQCFKSA-N 2 1 248.345 2.181 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235983179 979266618 /nfs/dbraw/zinc/26/66/18/979266618.db2.gz YLBQQWILAAJGNA-DZGCQCFKSA-N 2 1 230.355 2.227 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235983179 979266626 /nfs/dbraw/zinc/26/66/26/979266626.db2.gz YLBQQWILAAJGNA-DZGCQCFKSA-N 2 1 230.355 2.227 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235983181 979267940 /nfs/dbraw/zinc/26/79/40/979267940.db2.gz YLBQQWILAAJGNA-UKRRQHHQSA-N 2 1 230.355 2.227 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235983181 979267953 /nfs/dbraw/zinc/26/79/53/979267953.db2.gz YLBQQWILAAJGNA-UKRRQHHQSA-N 2 1 230.355 2.227 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235983182 979268956 /nfs/dbraw/zinc/26/89/56/979268956.db2.gz YLBQQWILAAJGNA-ZFWWWQNUSA-N 2 1 230.355 2.227 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235983182 979268965 /nfs/dbraw/zinc/26/89/65/979268965.db2.gz YLBQQWILAAJGNA-ZFWWWQNUSA-N 2 1 230.355 2.227 20 0 BEADMP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccccc1C1CC1)C2 ZINC001235989220 979272821 /nfs/dbraw/zinc/27/28/21/979272821.db2.gz IJGGFZYPSNIDHV-GOEBONIOSA-N 2 1 242.366 2.487 20 0 BEADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccccc1C1CC1)C2 ZINC001235989220 979272825 /nfs/dbraw/zinc/27/28/25/979272825.db2.gz IJGGFZYPSNIDHV-GOEBONIOSA-N 2 1 242.366 2.487 20 0 BEADMP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1cccc3c1CCC3)C2 ZINC001235996093 979293704 /nfs/dbraw/zinc/29/37/04/979293704.db2.gz QRGICFZBAUNQRV-HOCLYGCPSA-N 2 1 242.366 2.098 20 0 BEADMP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1cccc3c1CCC3)C2 ZINC001235996093 979293719 /nfs/dbraw/zinc/29/37/19/979293719.db2.gz QRGICFZBAUNQRV-HOCLYGCPSA-N 2 1 242.366 2.098 20 0 BEADMP CC/C=C\CCC[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC001236068296 979358029 /nfs/dbraw/zinc/35/80/29/979358029.db2.gz XQBRMCUKSDFHQY-ZFDPJTLLSA-N 2 1 210.365 2.274 20 0 BEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)C1 ZINC001182250415 979481286 /nfs/dbraw/zinc/48/12/86/979481286.db2.gz JKLBVZIULVVZSE-ZQDZILKHSA-N 2 1 236.403 2.497 20 0 BEADMP Fc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236313948 979524650 /nfs/dbraw/zinc/52/46/50/979524650.db2.gz BHGROPYAJHQEMB-OKILXGFUSA-N 2 1 248.345 2.257 20 0 BEADMP CCc1ccc(C[N@@H+]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000085622280 979524935 /nfs/dbraw/zinc/52/49/35/979524935.db2.gz WIADZDXRHAQHPI-ZDUSSCGKSA-N 2 1 232.371 2.433 20 0 BEADMP CCc1ccc(C[N@H+]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000085622280 979524943 /nfs/dbraw/zinc/52/49/43/979524943.db2.gz WIADZDXRHAQHPI-ZDUSSCGKSA-N 2 1 232.371 2.433 20 0 BEADMP Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236314449 979525693 /nfs/dbraw/zinc/52/56/93/979525693.db2.gz MXFYHGHAGQNARQ-IYBDPMFKSA-N 2 1 244.382 2.426 20 0 BEADMP C[N@@H+](CCC1CCCCC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412492 979587583 /nfs/dbraw/zinc/58/75/83/979587583.db2.gz VQILIPBBQHPTKO-WDNDVIMCSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccncc2)C1 ZINC001206541721 979643779 /nfs/dbraw/zinc/64/37/79/979643779.db2.gz IIECEIHZUOUXKH-CQSZACIVSA-N 2 1 233.359 2.033 20 0 BEADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCC(F)(F)F)C1 ZINC001206542349 979655734 /nfs/dbraw/zinc/65/57/34/979655734.db2.gz YTBNZXRKCBHXDY-SNVBAGLBSA-N 2 1 238.297 2.390 20 0 BEADMP CCC(CC)[N@@H+](C[C@@H](C)N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236781974 979730070 /nfs/dbraw/zinc/73/00/70/979730070.db2.gz DBBXKJQGBOXZGE-YRGRVCCFSA-N 2 1 241.423 2.094 20 0 BEADMP C[C@@]1([NH3+])CCC[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001205257230 979755455 /nfs/dbraw/zinc/75/54/55/979755455.db2.gz UQGWMVJBVZGARO-GBJTYRQASA-N 2 1 234.387 2.402 20 0 BEADMP C[N@@H+](CCCC[NH3+])[C@@H]1CCc2ccccc21 ZINC001237256775 979854939 /nfs/dbraw/zinc/85/49/39/979854939.db2.gz AXPWOSIMCKFOKR-CQSZACIVSA-N 2 1 218.344 2.345 20 0 BEADMP C[N@@H+](CCCC[NH3+])[C@H]1CCc2ccccc21 ZINC001237256774 979856289 /nfs/dbraw/zinc/85/62/89/979856289.db2.gz AXPWOSIMCKFOKR-AWEZNQCLSA-N 2 1 218.344 2.345 20 0 BEADMP C1=CC[C@H](C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001237377144 979879609 /nfs/dbraw/zinc/87/96/09/979879609.db2.gz YUFOJZMGAHKLAG-RRFJBIMHSA-N 2 1 234.387 2.417 20 0 BEADMP C1=CC[C@H](C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001237377144 979879614 /nfs/dbraw/zinc/87/96/14/979879614.db2.gz YUFOJZMGAHKLAG-RRFJBIMHSA-N 2 1 234.387 2.417 20 0 BEADMP c1[nH+]cn2c1cccc2C[NH+]1CCCCC1 ZINC001238102455 980151414 /nfs/dbraw/zinc/15/14/14/980151414.db2.gz CTXFTGXKMKLFPI-UHFFFAOYSA-N 2 1 215.300 2.320 20 0 BEADMP F[C@H]1C[N@H+](Cc2cccc3c[nH+]cn32)C[C@@H]2C[C@@H]21 ZINC001238107944 980157359 /nfs/dbraw/zinc/15/73/59/980157359.db2.gz STVHAGLPGVUHJE-BPNCWPANSA-N 2 1 245.301 2.124 20 0 BEADMP F[C@H]1C[N@@H+](Cc2cccc3c[nH+]cn32)C[C@@H]2C[C@@H]21 ZINC001238107944 980157361 /nfs/dbraw/zinc/15/73/61/980157361.db2.gz STVHAGLPGVUHJE-BPNCWPANSA-N 2 1 245.301 2.124 20 0 BEADMP C[N@H+]1CCC2(C1)CC[NH+](CCCCF)CC2 ZINC001278206796 980233535 /nfs/dbraw/zinc/23/35/35/980233535.db2.gz JGRLOAKYAAFKRU-UHFFFAOYSA-N 2 1 228.355 2.154 20 0 BEADMP [NH3+]C[C@]1(F)CCC[N@@H+](C[C@H]2CC=CCC2)CC1 ZINC001205539439 980915149 /nfs/dbraw/zinc/91/51/49/980915149.db2.gz ZDTLOSJQXFDSNE-KBPBESRZSA-N 2 1 240.366 2.496 20 0 BEADMP COC(C)(C)CC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205599917 981152281 /nfs/dbraw/zinc/15/22/81/981152281.db2.gz AMWWIRHSVGSAMJ-OLZOCXBDSA-N 2 1 242.407 2.108 20 0 BEADMP CC(C)CC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205601376 981160920 /nfs/dbraw/zinc/16/09/20/981160920.db2.gz DYELBMKBBNTSGJ-CHWSQXEVSA-N 2 1 212.381 2.339 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)o1 ZINC001205604818 981180461 /nfs/dbraw/zinc/18/04/61/981180461.db2.gz XUUMHOKJVIUUML-AAEUAGOBSA-N 2 1 236.359 2.395 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+]Cc1sccc1Cl ZINC001348514733 981380185 /nfs/dbraw/zinc/38/01/85/981380185.db2.gz GOLPJENOJKSGGJ-MRVPVSSYSA-N 2 1 232.780 2.489 20 0 BEADMP C[N@H+]1CCc2cc(C3=CC[NH2+]CC3)ccc2C1 ZINC001240469440 981405316 /nfs/dbraw/zinc/40/53/16/981405316.db2.gz YSRMQDQTGOCCFX-UHFFFAOYSA-N 2 1 228.339 2.051 20 0 BEADMP Cc1cc(C)c(C2=CC[NH2+]CC2)c(C)[nH+]1 ZINC001240470874 981407877 /nfs/dbraw/zinc/40/78/77/981407877.db2.gz WSBQEJQDXQHXJT-UHFFFAOYSA-N 2 1 202.301 2.384 20 0 BEADMP C[N@@H+](Cc1ccc(C2=CCC[NH2+]C2)nc1)C1CC1 ZINC001240656465 981567314 /nfs/dbraw/zinc/56/73/14/981567314.db2.gz AKWNPASMIQRTGF-UHFFFAOYSA-N 2 1 243.354 2.053 20 0 BEADMP CCOC(=[NH2+])c1ccc(C2=CCC[NH2+]C2)cc1 ZINC001240671466 981582632 /nfs/dbraw/zinc/58/26/32/981582632.db2.gz YMVJAYNBIMTTOD-UHFFFAOYSA-N 2 1 230.311 2.425 20 0 BEADMP c1ccc([C@H]2C[C@H]2C[NH2+][C@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC001580891708 981722196 /nfs/dbraw/zinc/72/21/96/981722196.db2.gz FFTUGPSODQRQTR-OTJKEOIZSA-N 2 1 242.366 2.273 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H]1CCCCO1 ZINC000336713421 982091431 /nfs/dbraw/zinc/09/14/31/982091431.db2.gz PPEZZWVVHGORPB-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP C[C@@H]([NH3+])c1ccc(C2=CC[N@@H+](C)CC2)cc1 ZINC001241327144 982489428 /nfs/dbraw/zinc/48/94/28/982489428.db2.gz IAFRVPLXWVKFTQ-LLVKDONJSA-N 2 1 216.328 2.425 20 0 BEADMP CC[C@@H](C)[C@H](C)[N@H+]1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC001198271598 982688967 /nfs/dbraw/zinc/68/89/67/982688967.db2.gz WYVCKAZKYCUFNZ-RQJABVFESA-N 2 1 224.392 2.305 20 0 BEADMP CC[C@@H](C)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001198271598 982688977 /nfs/dbraw/zinc/68/89/77/982688977.db2.gz WYVCKAZKYCUFNZ-RQJABVFESA-N 2 1 224.392 2.305 20 0 BEADMP CC[C@@H](C)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001198271598 982688996 /nfs/dbraw/zinc/68/89/96/982688996.db2.gz WYVCKAZKYCUFNZ-RQJABVFESA-N 2 1 224.392 2.305 20 0 BEADMP CC[C@@H](C)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001198271598 982689021 /nfs/dbraw/zinc/68/90/21/982689021.db2.gz WYVCKAZKYCUFNZ-RQJABVFESA-N 2 1 224.392 2.305 20 0 BEADMP CC[C@@H](C)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001198271598 982689011 /nfs/dbraw/zinc/68/90/11/982689011.db2.gz WYVCKAZKYCUFNZ-RQJABVFESA-N 2 1 224.392 2.305 20 0 BEADMP C[C@H]([NH3+])c1cccc(C2=CCC[N@@H+](C)C2)c1 ZINC001241570735 982821939 /nfs/dbraw/zinc/82/19/39/982821939.db2.gz OCEPQELISFDSRF-NSHDSACASA-N 2 1 216.328 2.425 20 0 BEADMP Cc1ccc(NCc2c[nH+]ccc2N(C)C)[nH+]c1 ZINC001199498588 982932911 /nfs/dbraw/zinc/93/29/11/982932911.db2.gz OVWGHNCGLVVVAD-UHFFFAOYSA-N 2 1 242.326 2.463 20 0 BEADMP C1=CC[C@@H](C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000037408318 982938585 /nfs/dbraw/zinc/93/85/85/982938585.db2.gz LKDBLTXRTTVDRA-ZIAGYGMSSA-N 2 1 234.387 2.417 20 0 BEADMP CC[N@H+]1C[C@H](C)N(c2cc[nH+]cc2)C[C@H]1C ZINC001354019628 983117138 /nfs/dbraw/zinc/11/71/38/983117138.db2.gz UBOVYSZGSRIGEY-NEPJUHHUSA-N 2 1 219.332 2.001 20 0 BEADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C[C@@H]1CC=CCC1)C2 ZINC001201426302 983226505 /nfs/dbraw/zinc/22/65/05/983226505.db2.gz CUQSANQMDYCELT-RBSFLKMASA-N 2 1 234.387 2.226 20 0 BEADMP Nc1[nH]c2cc(C3=C[C@H]4CC[C@@H](C3)[NH2+]4)ccc2[nH+]1 ZINC001242025924 983237134 /nfs/dbraw/zinc/23/71/34/983237134.db2.gz BWTZALSNCJNLDS-MNOVXSKESA-N 2 1 240.310 2.053 20 0 BEADMP CN1CCC[C@@H]2C[N@@H+](CCc3ccccc3)C[C@@H]21 ZINC001201606092 983375478 /nfs/dbraw/zinc/37/54/78/983375478.db2.gz IJZYYHDXBSEGEN-CVEARBPZSA-N 2 1 244.382 2.255 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1C ZINC000082836862 983384093 /nfs/dbraw/zinc/38/40/93/983384093.db2.gz LXQXEXNCOGRKQX-ZOBORPQBSA-N 2 1 224.392 2.352 20 0 BEADMP Cc1cnccc1O[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001201952032 983520450 /nfs/dbraw/zinc/52/04/50/983520450.db2.gz GBPDSGOBESXJGX-ZDUSSCGKSA-N 2 1 232.327 2.253 20 0 BEADMP [NH3+][C@@H]1CCCC[N@H+](Cc2cccc3c2CCC3)C1 ZINC001205938447 983587618 /nfs/dbraw/zinc/58/76/18/983587618.db2.gz HRJGXDGALFFBMQ-OAHLLOKOSA-N 2 1 244.382 2.489 20 0 BEADMP [NH3+][C@@H]1CCCC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC001205938447 983587628 /nfs/dbraw/zinc/58/76/28/983587628.db2.gz HRJGXDGALFFBMQ-OAHLLOKOSA-N 2 1 244.382 2.489 20 0 BEADMP [NH3+][C@H]1CCCC[N@H+](Cc2cccc3c2CCC3)C1 ZINC001205938438 983591097 /nfs/dbraw/zinc/59/10/97/983591097.db2.gz HRJGXDGALFFBMQ-HNNXBMFYSA-N 2 1 244.382 2.489 20 0 BEADMP [NH3+][C@H]1CCCC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC001205938438 983591100 /nfs/dbraw/zinc/59/11/00/983591100.db2.gz HRJGXDGALFFBMQ-HNNXBMFYSA-N 2 1 244.382 2.489 20 0 BEADMP CC[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)C[C@@H]2C1 ZINC001202190305 983593679 /nfs/dbraw/zinc/59/36/79/983593679.db2.gz NUDUMSVKVOOYBV-OKILXGFUSA-N 2 1 222.376 2.060 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+]C/C=C\c1cccc(F)c1 ZINC001576105052 984155068 /nfs/dbraw/zinc/15/50/68/984155068.db2.gz NABOXLZEIKFCAG-UARRTVENSA-N 2 1 222.307 2.164 20 0 BEADMP CC[C@H](C)CC[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001576983620 984186689 /nfs/dbraw/zinc/18/66/89/984186689.db2.gz CFXWWKONBHOFDU-IUCAKERBSA-N 2 1 226.286 2.292 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCC[C@H]1C[NH3+] ZINC001205985219 984301073 /nfs/dbraw/zinc/30/10/73/984301073.db2.gz WODXCDNADFUUSF-HIFRSBDPSA-N 2 1 232.371 2.493 20 0 BEADMP C[NH2+]Cc1cccc(-c2ccc(N)[nH+]c2C)c1 ZINC001242998190 984364720 /nfs/dbraw/zinc/36/47/20/984364720.db2.gz IBMIVCQVBDWYJC-UHFFFAOYSA-N 2 1 227.311 2.359 20 0 BEADMP C[NH2+]Cc1cccc(-c2cc[nH+]c3c2CCN3)c1 ZINC001242999789 984366055 /nfs/dbraw/zinc/36/60/55/984366055.db2.gz RILWXHZQFXWPFA-UHFFFAOYSA-N 2 1 239.322 2.436 20 0 BEADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2Cc1ccc(CF)cc1 ZINC001580253155 984479518 /nfs/dbraw/zinc/47/95/18/984479518.db2.gz IFPFUPXNLWBVMS-LSDHHAIUSA-N 2 1 248.345 2.469 20 0 BEADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2Cc1ccc(CF)cc1 ZINC001580253155 984479523 /nfs/dbraw/zinc/47/95/23/984479523.db2.gz IFPFUPXNLWBVMS-LSDHHAIUSA-N 2 1 248.345 2.469 20 0 BEADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC001275944004 984740151 /nfs/dbraw/zinc/74/01/51/984740151.db2.gz XCCOWFKGJFMSAH-UHFFFAOYSA-N 2 1 234.343 2.197 20 0 BEADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H](COC)CC(C)(C)C ZINC001578241701 984895845 /nfs/dbraw/zinc/89/58/45/984895845.db2.gz IRPOANCRJWWYTJ-UPJWGTAASA-N 2 1 242.407 2.168 20 0 BEADMP CCn1ccc(C[N@@H+](C)C[C@@H](C[NH3+])C(C)C)c1 ZINC001578350434 984984643 /nfs/dbraw/zinc/98/46/43/984984643.db2.gz OSOWZDPJWPZOTA-CQSZACIVSA-N 2 1 237.391 2.171 20 0 BEADMP C[N@@H+](CCC[NH3+])[C@@H]1CCC[C@H]1C(C)(C)C ZINC001578466476 985098917 /nfs/dbraw/zinc/09/89/17/985098917.db2.gz OERWNFQHXZDKSS-VXGBXAGGSA-N 2 1 212.381 2.482 20 0 BEADMP CCCCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001257517322 985191313 /nfs/dbraw/zinc/19/13/13/985191313.db2.gz UVRABRFMNCFKEI-MELADBBJSA-N 2 1 224.392 2.449 20 0 BEADMP CCCCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001257517322 985191328 /nfs/dbraw/zinc/19/13/28/985191328.db2.gz UVRABRFMNCFKEI-MELADBBJSA-N 2 1 224.392 2.449 20 0 BEADMP CCCCC[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001257517322 985191335 /nfs/dbraw/zinc/19/13/35/985191335.db2.gz UVRABRFMNCFKEI-MELADBBJSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[C@@H](C)[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC000686973756 985232828 /nfs/dbraw/zinc/23/28/28/985232828.db2.gz LACMWLWZHGOIHM-VXGBXAGGSA-N 2 1 212.381 2.399 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC001578638306 985247358 /nfs/dbraw/zinc/24/73/58/985247358.db2.gz KAMSNRNWQRNWTD-WHOHXGKFSA-N 2 1 238.400 2.438 20 0 BEADMP CCC[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000688037645 985509160 /nfs/dbraw/zinc/50/91/60/985509160.db2.gz CSGWFRKCILJRSR-UHFFFAOYSA-N 2 1 224.373 2.236 20 0 BEADMP CO[C@@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)CC(C)C ZINC001578912782 985516817 /nfs/dbraw/zinc/51/68/17/985516817.db2.gz MENBBCLCOXQBFF-NEPJUHHUSA-N 2 1 230.396 2.011 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000688287013 985607018 /nfs/dbraw/zinc/60/70/18/985607018.db2.gz BHKDOOPHPXUONQ-XBFCOCLRSA-N 2 1 222.376 2.106 20 0 BEADMP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000688760804 985719417 /nfs/dbraw/zinc/71/94/17/985719417.db2.gz LUMZCBBJCPFYJO-WDEREUQCSA-N 2 1 234.334 2.339 20 0 BEADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CC34CCC(CC3)C4)C[C@H]21 ZINC001460560646 985861438 /nfs/dbraw/zinc/86/14/38/985861438.db2.gz MQSCEBNOSPNJMI-CROGOQIBSA-N 2 1 234.387 2.059 20 0 BEADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CC34CCC(CC3)C4)C[C@H]21 ZINC001460560646 985861446 /nfs/dbraw/zinc/86/14/46/985861446.db2.gz MQSCEBNOSPNJMI-CROGOQIBSA-N 2 1 234.387 2.059 20 0 BEADMP CSc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)o1 ZINC001579388069 985868970 /nfs/dbraw/zinc/86/89/70/985868970.db2.gz NLIRXHUHNDWADL-UWVGGRQHSA-N 2 1 240.372 2.171 20 0 BEADMP CSc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)o1 ZINC001579388069 985868972 /nfs/dbraw/zinc/86/89/72/985868972.db2.gz NLIRXHUHNDWADL-UWVGGRQHSA-N 2 1 240.372 2.171 20 0 BEADMP C[C@@H]1CC[N@H+](CCCOC(C)(C)C)[C@H](C[NH3+])C1 ZINC001579423398 985890694 /nfs/dbraw/zinc/89/06/94/985890694.db2.gz NEKPREOWDGYUJE-OLZOCXBDSA-N 2 1 242.407 2.251 20 0 BEADMP C[C@@H]1CC[N@@H+](CCCOC(C)(C)C)[C@H](C[NH3+])C1 ZINC001579423398 985890700 /nfs/dbraw/zinc/89/07/00/985890700.db2.gz NEKPREOWDGYUJE-OLZOCXBDSA-N 2 1 242.407 2.251 20 0 BEADMP C[C@@H]1C[N@H+](CC(C)(C)Oc2ccccc2)C[C@H]1[NH3+] ZINC001579439943 985929110 /nfs/dbraw/zinc/92/91/10/985929110.db2.gz DHYHLQZWVIIXBI-TZMCWYRMSA-N 2 1 248.370 2.123 20 0 BEADMP C[C@@H]1C[N@@H+](CC(C)(C)Oc2ccccc2)C[C@H]1[NH3+] ZINC001579439943 985929129 /nfs/dbraw/zinc/92/91/29/985929129.db2.gz DHYHLQZWVIIXBI-TZMCWYRMSA-N 2 1 248.370 2.123 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC001579499312 986030484 /nfs/dbraw/zinc/03/04/84/986030484.db2.gz IYBFKIZBJQQLPV-IJLUTSLNSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC001579499419 986030538 /nfs/dbraw/zinc/03/05/38/986030538.db2.gz OJVQZTYIKBQWAY-IKWCTNDRSA-N 2 1 240.391 2.063 20 0 BEADMP CCCC[C@H](CCC)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001258752890 986114675 /nfs/dbraw/zinc/11/46/75/986114675.db2.gz NAQIJATZUGLOLU-STQMWFEESA-N 2 1 228.380 2.005 20 0 BEADMP CC[C@H]1CC[N@@H+](CC2CC[NH+](CC)CC2)C1 ZINC001461887232 986215152 /nfs/dbraw/zinc/21/51/52/986215152.db2.gz UBOKANDDMXFNEL-ZDUSSCGKSA-N 2 1 224.392 2.450 20 0 BEADMP Cc1cccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1F ZINC001579760248 986216028 /nfs/dbraw/zinc/21/60/28/986216028.db2.gz DDDLDFPQGCHIPN-OCCSQVGLSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1F ZINC001579760248 986216047 /nfs/dbraw/zinc/21/60/47/986216047.db2.gz DDDLDFPQGCHIPN-OCCSQVGLSA-N 2 1 248.345 2.175 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](C)[C@H]2C)CC1 ZINC001461886959 986218031 /nfs/dbraw/zinc/21/80/31/986218031.db2.gz KMHMGFYPKRRJGE-CHWSQXEVSA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CCCSCC2)CC1 ZINC001462068950 986275821 /nfs/dbraw/zinc/27/58/21/986275821.db2.gz DDBJTBCEEWQMDH-UHFFFAOYSA-N 2 1 242.432 2.157 20 0 BEADMP CC[C@H]1C[N@@H+](CCCCCC[NH3+])C[C@@H](C)O1 ZINC000689190733 986384200 /nfs/dbraw/zinc/38/42/00/986384200.db2.gz MUTHBKLIEHYMGQ-OLZOCXBDSA-N 2 1 228.380 2.005 20 0 BEADMP CC(C)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCCOC1 ZINC001254372167 986594609 /nfs/dbraw/zinc/59/46/09/986594609.db2.gz RBELWCUJZGMXPX-MGPQQGTHSA-N 2 1 240.391 2.146 20 0 BEADMP [NH3+][C@H](C[NH2+]CC[C@@H]1CC=CCC1)CC(F)F ZINC001580132986 986597558 /nfs/dbraw/zinc/59/75/58/986597558.db2.gz SNQSTNRTWIHEIK-MNOVXSKESA-N 2 1 232.318 2.305 20 0 BEADMP [NH3+][C@@H](C[NH2+]CC[C@@H]1CC=CCC1)CC(F)F ZINC001580132985 986599666 /nfs/dbraw/zinc/59/96/66/986599666.db2.gz SNQSTNRTWIHEIK-GHMZBOCLSA-N 2 1 232.318 2.305 20 0 BEADMP [NH3+]C[C@@H]([NH2+]C[C@H]1CCCCC1(F)F)C1CC1 ZINC001580228787 986656041 /nfs/dbraw/zinc/65/60/41/986656041.db2.gz FUVFFINUQLMMOA-GHMZBOCLSA-N 2 1 232.318 2.139 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2CC3(C2)CCCC3)CC1 ZINC001254519767 986657968 /nfs/dbraw/zinc/65/79/68/986657968.db2.gz KIGPHJMSGRGHMU-CYBMUJFWSA-N 2 1 222.376 2.347 20 0 BEADMP [NH3+]C[C@H]([NH2+]C[C@H]1CC=CCC1)C1CCCC1 ZINC001580229224 986680360 /nfs/dbraw/zinc/68/03/60/986680360.db2.gz KJNUVLMNBBJDSN-JSGCOSHPSA-N 2 1 222.376 2.450 20 0 BEADMP [NH3+]C[C@@H]([NH2+]C[C@H]1CC=CCC1)C1CCCC1 ZINC001580229223 986681360 /nfs/dbraw/zinc/68/13/60/986681360.db2.gz KJNUVLMNBBJDSN-GXTWGEPZSA-N 2 1 222.376 2.450 20 0 BEADMP C[NH2+]CC[N@H+](C)[C@@H](C)CCCC(C)C ZINC000379979788 986692204 /nfs/dbraw/zinc/69/22/04/986692204.db2.gz GTZHIKKIFGPOIA-LBPRGKRZSA-N 2 1 200.370 2.352 20 0 BEADMP C[NH2+]CC[N@@H+](C)[C@@H](C)CCCC(C)C ZINC000379979788 986692213 /nfs/dbraw/zinc/69/22/13/986692213.db2.gz GTZHIKKIFGPOIA-LBPRGKRZSA-N 2 1 200.370 2.352 20 0 BEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2Cc1ccc(CF)cc1 ZINC001580253152 986704442 /nfs/dbraw/zinc/70/44/42/986704442.db2.gz IFPFUPXNLWBVMS-CABCVRRESA-N 2 1 248.345 2.469 20 0 BEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2Cc1ccc(CF)cc1 ZINC001580253152 986704626 /nfs/dbraw/zinc/70/46/26/986704626.db2.gz IFPFUPXNLWBVMS-CABCVRRESA-N 2 1 248.345 2.469 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC001580288771 986732533 /nfs/dbraw/zinc/73/25/33/986732533.db2.gz XMZPOFUAJMLHHK-BMFZPTHFSA-N 2 1 244.382 2.461 20 0 BEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC1CCSCC1 ZINC001580286309 986734487 /nfs/dbraw/zinc/73/44/87/986734487.db2.gz CKEZVBDIUUKMDR-CYBMUJFWSA-N 2 1 242.432 2.333 20 0 BEADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3[nH]c(C)cc3C)C[C@@H]2C1 ZINC001137333546 986797195 /nfs/dbraw/zinc/79/71/95/986797195.db2.gz KWDIUQOUAKNMNH-OKILXGFUSA-N 2 1 247.386 2.015 20 0 BEADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3[nH]c(C)cc3C)C[C@@H]2C1 ZINC001137333546 986797210 /nfs/dbraw/zinc/79/72/10/986797210.db2.gz KWDIUQOUAKNMNH-OKILXGFUSA-N 2 1 247.386 2.015 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3[nH]c(C)cc3C)C[C@@H]2C1 ZINC001137333546 986797227 /nfs/dbraw/zinc/79/72/27/986797227.db2.gz KWDIUQOUAKNMNH-OKILXGFUSA-N 2 1 247.386 2.015 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3[nH]c(C)cc3C)C[C@@H]2C1 ZINC001137333546 986797239 /nfs/dbraw/zinc/79/72/39/986797239.db2.gz KWDIUQOUAKNMNH-OKILXGFUSA-N 2 1 247.386 2.015 20 0 BEADMP CC[NH+]1C[C@@H]2C[NH+](Cc3[nH]c(C)cc3C)C[C@H]2C1 ZINC001137333547 986799893 /nfs/dbraw/zinc/79/98/93/986799893.db2.gz KWDIUQOUAKNMNH-ZIAGYGMSSA-N 2 1 247.386 2.015 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)C1 ZINC001580387088 986812738 /nfs/dbraw/zinc/81/27/38/986812738.db2.gz KFFOHIZGWYOYLL-OUCADQQQSA-N 2 1 248.374 2.064 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCSC1)C2 ZINC001255277492 986883349 /nfs/dbraw/zinc/88/33/49/986883349.db2.gz SIVRKQLHBYVSIC-ZDEQEGDKSA-N 2 1 240.416 2.097 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCSC1)C2 ZINC001255277492 986883353 /nfs/dbraw/zinc/88/33/53/986883353.db2.gz SIVRKQLHBYVSIC-ZDEQEGDKSA-N 2 1 240.416 2.097 20 0 BEADMP COC[C@@H](C)[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255565419 987017445 /nfs/dbraw/zinc/01/74/45/987017445.db2.gz PNOKCRWCWWEIIG-MGPQQGTHSA-N 2 1 242.407 2.249 20 0 BEADMP Nc1[nH]c2cc(-c3ccc4c[nH+]cn4c3)ccc2[nH+]1 ZINC001245896225 987116492 /nfs/dbraw/zinc/11/64/92/987116492.db2.gz NDENTHGGJPCREE-UHFFFAOYSA-N 2 1 249.277 2.460 20 0 BEADMP Cc1[nH+]c(N)ccc1-c1ccc2c[nH+]cn2c1 ZINC001245897694 987122857 /nfs/dbraw/zinc/12/28/57/987122857.db2.gz WCPZTFDLHMSIKZ-UHFFFAOYSA-N 2 1 224.267 2.287 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000691657813 987288316 /nfs/dbraw/zinc/28/83/16/987288316.db2.gz AIQKXNBCFRNUME-RYKAKRHSSA-N 2 1 236.403 2.482 20 0 BEADMP CC(C)[N@@H+](CC1CC1)C[C@@H]1CCCC[NH2+]C1 ZINC000697054077 987346790 /nfs/dbraw/zinc/34/67/90/987346790.db2.gz ZXRVODIFAAVVOS-CQSZACIVSA-N 2 1 224.392 2.497 20 0 BEADMP CCCCC[C@H](O)C[N@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001246067849 987356766 /nfs/dbraw/zinc/35/67/66/987356766.db2.gz VGKKOGDIYIINPO-KBPBESRZSA-N 2 1 242.407 2.002 20 0 BEADMP CCCCC[C@H](O)C[N@@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001246067849 987356771 /nfs/dbraw/zinc/35/67/71/987356771.db2.gz VGKKOGDIYIINPO-KBPBESRZSA-N 2 1 242.407 2.002 20 0 BEADMP CCC[C@H](C)CC[C@H](C)[NH2+]CC[NH2+]C ZINC001246072967 987359255 /nfs/dbraw/zinc/35/92/55/987359255.db2.gz OBCYAWNDJDVOSA-RYUDHWBXSA-N 2 1 200.370 2.400 20 0 BEADMP CC(C)COCC[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246085835 987384993 /nfs/dbraw/zinc/38/49/93/987384993.db2.gz SJKPCLUOPWLMSI-IHRRRGAJSA-N 2 1 242.407 2.168 20 0 BEADMP CSC(C)(C)C[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246101364 987421903 /nfs/dbraw/zinc/42/19/03/987421903.db2.gz LACURFSXKYLDEO-GRYCIOLGSA-N 2 1 244.448 2.494 20 0 BEADMP CCSC[C@H](C)[NH2+]C[C@@H]1CC[C@H](C)C[NH2+]1 ZINC001246105877 987432607 /nfs/dbraw/zinc/43/26/07/987432607.db2.gz ONCBRDOTWPBIMD-SRVKXCTJSA-N 2 1 230.421 2.106 20 0 BEADMP C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246132108 987480526 /nfs/dbraw/zinc/48/05/26/987480526.db2.gz KWXWBSHNEZVCAJ-SMDDNHRTSA-N 2 1 248.345 2.098 20 0 BEADMP CCCOC1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246130236 987485446 /nfs/dbraw/zinc/48/54/46/987485446.db2.gz UPEKXSSBGQAKDW-MOKVOYLWSA-N 2 1 240.391 2.066 20 0 BEADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246134106 987487762 /nfs/dbraw/zinc/48/77/62/987487762.db2.gz PGEVKRQMVPDVIV-BXUZGUMPSA-N 2 1 248.345 2.098 20 0 BEADMP CC(C)CCC[C@@H](C)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246136010 987491857 /nfs/dbraw/zinc/49/18/57/987491857.db2.gz UJPBDMQWNOMFSL-AGIUHOORSA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)SCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001473703453 987529147 /nfs/dbraw/zinc/52/91/47/987529147.db2.gz NGRNNSCHFWWQGM-OLZOCXBDSA-N 2 1 242.432 2.012 20 0 BEADMP CC(C)SCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001473703453 987529159 /nfs/dbraw/zinc/52/91/59/987529159.db2.gz NGRNNSCHFWWQGM-OLZOCXBDSA-N 2 1 242.432 2.012 20 0 BEADMP CC(C)SCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001473703453 987529170 /nfs/dbraw/zinc/52/91/70/987529170.db2.gz NGRNNSCHFWWQGM-OLZOCXBDSA-N 2 1 242.432 2.012 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(F)CCC[NH2+]C2)C[C@@H]1C ZINC001246183768 987554262 /nfs/dbraw/zinc/55/42/62/987554262.db2.gz SZLUUBCSUMOATO-RFGFWPKPSA-N 2 1 242.382 2.492 20 0 BEADMP Fc1cccc2c1CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)C2 ZINC001246186782 987566618 /nfs/dbraw/zinc/56/66/18/987566618.db2.gz HUPOJBCBJVYTGT-QWHCGFSZSA-N 2 1 248.345 2.025 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c(F)c1 ZINC001246229565 987626215 /nfs/dbraw/zinc/62/62/15/987626215.db2.gz DJRYTQIPPNGYOA-AAEUAGOBSA-N 2 1 236.334 2.364 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC001246231912 987628743 /nfs/dbraw/zinc/62/87/43/987628743.db2.gz UXQFVKLZIFSIEE-HABKJSAYSA-N 2 1 245.370 2.324 20 0 BEADMP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)n1 ZINC001246240364 987642497 /nfs/dbraw/zinc/64/24/97/987642497.db2.gz VXRMXLVVMWQECH-UPJWGTAASA-N 2 1 233.359 2.181 20 0 BEADMP CC(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001246274291 987669528 /nfs/dbraw/zinc/66/95/28/987669528.db2.gz YUBWEJPXUYFSSW-IAQYHMDHSA-N 2 1 246.354 2.119 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(O)cc32)CC[NH2+]1 ZINC001246285035 987679069 /nfs/dbraw/zinc/67/90/69/987679069.db2.gz FDWCCVPCWHXMTQ-IFUGULHKSA-N 2 1 246.354 2.110 20 0 BEADMP Clc1cc(C[NH2+]C2CC[NH2+]CC2)cs1 ZINC001246300171 987699100 /nfs/dbraw/zinc/69/91/00/987699100.db2.gz LYPKEEUZXUELJS-UHFFFAOYSA-N 2 1 230.764 2.243 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCC[C@H](C)C1 ZINC001246330629 987738792 /nfs/dbraw/zinc/73/87/92/987738792.db2.gz WXXBJANRIDGYFV-QNWHQSFQSA-N 2 1 210.365 2.295 20 0 BEADMP Fc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC001246357211 987763582 /nfs/dbraw/zinc/76/35/82/987763582.db2.gz KXHAJXYRNBBECG-LSDHHAIUSA-N 2 1 248.345 2.025 20 0 BEADMP CC1(C)C[C@H]([NH2+][C@@H]2CNc3ccccc32)CC[NH2+]1 ZINC001246357010 987765677 /nfs/dbraw/zinc/76/56/77/987765677.db2.gz SAWFNBZJRLSDSQ-BXUZGUMPSA-N 2 1 245.370 2.273 20 0 BEADMP CC[C@@H]1C[C@@H]([NH2+]C(C)(C)CC[NH3+])C[C@H](CC)[NH2+]1 ZINC001246362483 987767341 /nfs/dbraw/zinc/76/73/41/987767341.db2.gz LWPQJQLCRDVLFV-CLLJXQQHSA-N 3 1 241.423 2.013 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CC2Cc3ccccc3C2)C[NH2+]1 ZINC001246375754 987774476 /nfs/dbraw/zinc/77/44/76/987774476.db2.gz KNQJXEZLICRUOB-WBMJQRKESA-N 2 1 244.382 2.132 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]C(C)(C)CC2CC2)C[NH2+]1 ZINC001246395406 987782016 /nfs/dbraw/zinc/78/20/16/987782016.db2.gz VYRBRTVUYTWNOT-CMPLNLGQSA-N 2 1 210.365 2.295 20 0 BEADMP CC(C)CC[C@H](C)[NH2+]C[C@H]1C[NH2+]CC(C)(C)O1 ZINC001246413875 987790710 /nfs/dbraw/zinc/79/07/10/987790710.db2.gz RPQQBQPCLJQEQQ-QWHCGFSZSA-N 2 1 242.407 2.168 20 0 BEADMP FC1(F)CCC[C@@H](C[NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC001246438460 987798177 /nfs/dbraw/zinc/79/81/77/987798177.db2.gz YBGTZWUBQLBIPG-GHMZBOCLSA-N 2 1 232.318 2.154 20 0 BEADMP FC1(F)CCC[C@H](C[NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC001246438477 987798845 /nfs/dbraw/zinc/79/88/45/987798845.db2.gz YBGTZWUBQLBIPG-WDEREUQCSA-N 2 1 232.318 2.154 20 0 BEADMP C[C@H]1[C@H]2C[C@@H](C[C@H]1[NH2+][C@@H]1CCC[NH2+]C1)C2(C)C ZINC001246442081 987800534 /nfs/dbraw/zinc/80/05/34/987800534.db2.gz GYZDOQPIBKHQMD-ODXJTPSBSA-N 2 1 236.403 2.399 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2Cc3ccc(F)cc3C2)C[NH2+]1 ZINC001246455510 987812140 /nfs/dbraw/zinc/81/21/40/987812140.db2.gz XLIGNWKDSXVSMT-KMUNFCNLSA-N 2 1 248.345 2.023 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1cncc(F)c1 ZINC001246488724 987845463 /nfs/dbraw/zinc/84/54/63/987845463.db2.gz KWJTWNQQFFHKKU-OPQQBVKSSA-N 2 1 237.322 2.012 20 0 BEADMP CC[C@@H](CC(C)C)[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC001246499126 987852328 /nfs/dbraw/zinc/85/23/28/987852328.db2.gz SMUVDAXOOZTSMD-AGIUHOORSA-N 2 1 212.381 2.399 20 0 BEADMP COc1cccc([C@@H](C)C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC001246503534 987856929 /nfs/dbraw/zinc/85/69/29/987856929.db2.gz ZYUJLNIWFBWRAP-GXTWGEPZSA-N 2 1 248.370 2.140 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)C[C@H]1C ZINC001246532802 987890040 /nfs/dbraw/zinc/89/00/40/987890040.db2.gz KFPNBJLESLLKJU-FVCCEPFGSA-N 2 1 222.376 2.234 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]([NH3+])C3(CC3)C2)C[C@H]1C ZINC001246532802 987890048 /nfs/dbraw/zinc/89/00/48/987890048.db2.gz KFPNBJLESLLKJU-FVCCEPFGSA-N 2 1 222.376 2.234 20 0 BEADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246538456 987899018 /nfs/dbraw/zinc/89/90/18/987899018.db2.gz CCUVMRDCXGJJMG-RFQIPJPRSA-N 2 1 242.407 2.107 20 0 BEADMP C[C@H]1C[N@H+]([C@H]2CCC[C@H](C)C2)C[C@H]1C[NH3+] ZINC001246539295 987902214 /nfs/dbraw/zinc/90/22/14/987902214.db2.gz HECQLJLNRQBCLU-RVMXOQNASA-N 2 1 210.365 2.092 20 0 BEADMP C[C@@H](Cc1ccncc1)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246548384 987932826 /nfs/dbraw/zinc/93/28/26/987932826.db2.gz GKXQUCGGILPRRI-DZGCQCFKSA-N 2 1 247.386 2.216 20 0 BEADMP [NH3+][C@H]1CCC[N@H+](C2CCC(F)(F)CC2)CC1 ZINC001246549240 987937510 /nfs/dbraw/zinc/93/75/10/987937510.db2.gz WDEBYTHTJWYKFB-JTQLQIEISA-N 2 1 232.318 2.378 20 0 BEADMP CC(C)OC1CCC([N@H+]2CC[C@@H]([NH3+])[C@H]2C)CC1 ZINC001246548316 987938393 /nfs/dbraw/zinc/93/83/93/987938393.db2.gz HLLSACZWIJHPEF-BLYZHGLHSA-N 2 1 240.391 2.144 20 0 BEADMP C[C@@]1([NH3+])CCC[N@H+](C2CCSCC2)CC1 ZINC001246552429 987949825 /nfs/dbraw/zinc/94/98/25/987949825.db2.gz OJQMSQQWXOPEOT-GFCCVEGCSA-N 2 1 228.405 2.085 20 0 BEADMP C[C@H](Cc1ccccn1)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246553089 987951457 /nfs/dbraw/zinc/95/14/57/987951457.db2.gz QWIAFTSRSYVGNQ-HIFRSBDPSA-N 2 1 247.386 2.216 20 0 BEADMP C[C@@H](Cc1ccccn1)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246553092 987953822 /nfs/dbraw/zinc/95/38/22/987953822.db2.gz QWIAFTSRSYVGNQ-ZFWWWQNUSA-N 2 1 247.386 2.216 20 0 BEADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CCO1 ZINC001246551690 987955354 /nfs/dbraw/zinc/95/53/54/987955354.db2.gz MKFQZNDFZPNPCM-MJBXVCDLSA-N 2 1 240.391 2.147 20 0 BEADMP F[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246556779 987968767 /nfs/dbraw/zinc/96/87/67/987968767.db2.gz DBNMLPBEUJHUAW-FKJOKYEKSA-N 2 1 226.339 2.093 20 0 BEADMP CSCC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246555391 987969979 /nfs/dbraw/zinc/96/99/79/987969979.db2.gz DVSIYTSHRDEUAG-RWMBFGLXSA-N 2 1 244.448 2.435 20 0 BEADMP CC[C@@H]1CC[C@H]([N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)C1 ZINC001246557585 987974162 /nfs/dbraw/zinc/97/41/62/987974162.db2.gz MIZWOROXXRCCCN-UTUOFQBUSA-N 2 1 246.345 2.481 20 0 BEADMP C[C@H]1CC[N@H+](C2CCSCC2)CC[C@H]1C[NH3+] ZINC001246557250 987977432 /nfs/dbraw/zinc/97/74/32/987977432.db2.gz KFXFTQMWIMDWRS-RYUDHWBXSA-N 2 1 242.432 2.189 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+]Cc1scnc1C1CC1 ZINC001118019998 987985892 /nfs/dbraw/zinc/98/58/92/987985892.db2.gz SOABGUMUCLHQKG-SECBINFHSA-N 2 1 239.388 2.108 20 0 BEADMP C[C@H]1C[N@H+](C2CCSCC2)CCC[C@H]1C[NH3+] ZINC001246564959 988021152 /nfs/dbraw/zinc/02/11/52/988021152.db2.gz GWVNVMNDNQAXHU-RYUDHWBXSA-N 2 1 242.432 2.189 20 0 BEADMP CSC(C)(C)C[C@H](C)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246569042 988039763 /nfs/dbraw/zinc/03/97/63/988039763.db2.gz UQJRYHFFWGSONC-OUAUKWLOSA-N 2 1 230.421 2.186 20 0 BEADMP F[C@H]1CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246568998 988041759 /nfs/dbraw/zinc/04/17/59/988041759.db2.gz ULALOPODSKWINL-ACJTYDJDSA-N 2 1 226.339 2.093 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)(F)CC2)CC[NH2+]1 ZINC001246573130 988059444 /nfs/dbraw/zinc/05/94/44/988059444.db2.gz YUBYOFQTQWTFPD-FRRDWIJNSA-N 2 1 228.355 2.341 20 0 BEADMP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2CCCOCC2)CC1 ZINC001246574614 988072565 /nfs/dbraw/zinc/07/25/65/988072565.db2.gz IIBSCVFZIZNWKB-KBPBESRZSA-N 2 1 240.391 2.006 20 0 BEADMP CCCc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC001118196296 988084423 /nfs/dbraw/zinc/08/44/23/988084423.db2.gz AWIJTVKAABTWFF-HNNXBMFYSA-N 2 1 232.371 2.420 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C)[C@@H](C)C2)CC[NH2+]1 ZINC001246578152 988093983 /nfs/dbraw/zinc/09/39/83/988093983.db2.gz YJQMPHGCOLYBLB-RQJABVFESA-N 2 1 224.392 2.495 20 0 BEADMP CCSC[C@H](C)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246582508 988112358 /nfs/dbraw/zinc/11/23/58/988112358.db2.gz NCWSZHBRWQODCA-RYUDHWBXSA-N 2 1 230.421 2.189 20 0 BEADMP CC(C)OCC[C@H](C)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246584166 988128589 /nfs/dbraw/zinc/12/85/89/988128589.db2.gz SOQUJIIKDGVMBP-UONOGXRCSA-N 2 1 242.407 2.251 20 0 BEADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001246585012 988132213 /nfs/dbraw/zinc/13/22/13/988132213.db2.gz NRZXXXUJXNWLTQ-DGAVXFQQSA-N 2 1 222.376 2.236 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@](C)(C[NH3+])C2)CCO1 ZINC001246585587 988134148 /nfs/dbraw/zinc/13/41/48/988134148.db2.gz PIEDEAYFKWHYIY-MGPQQGTHSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](C)CC2)CC[NH2+]1 ZINC001246584423 988135570 /nfs/dbraw/zinc/13/55/70/988135570.db2.gz ALUDKAYKLDXMEI-YNEHKIRRSA-N 2 1 210.365 2.249 20 0 BEADMP C[NH2+]CC1C[NH+]([C@@H](C)Cc2ccc(C)cc2)C1 ZINC001246590909 988165847 /nfs/dbraw/zinc/16/58/47/988165847.db2.gz AWNMEISWVCHKNR-ZDUSSCGKSA-N 2 1 232.371 2.077 20 0 BEADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2CCCOCC2)C1 ZINC001246593918 988184512 /nfs/dbraw/zinc/18/45/12/988184512.db2.gz OTSZHERGZFZJFL-UONOGXRCSA-N 2 1 240.391 2.006 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCC(F)(F)C(C)(C)C2)CC[NH2+]1 ZINC001246593977 988188547 /nfs/dbraw/zinc/18/85/47/988188547.db2.gz CNLSZIJHYAFXDO-GHMZBOCLSA-N 2 1 246.345 2.494 20 0 BEADMP CCC[C@H](CC)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246595238 988192121 /nfs/dbraw/zinc/19/21/21/988192121.db2.gz XYTCYYQWSOLNHJ-TUAOUCFPSA-N 2 1 216.344 2.326 20 0 BEADMP CCC[C@H](CC)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246595238 988192130 /nfs/dbraw/zinc/19/21/30/988192130.db2.gz XYTCYYQWSOLNHJ-TUAOUCFPSA-N 2 1 216.344 2.326 20 0 BEADMP C[C@H](Cc1ccc(F)cc1)[NH+]1CC(C)(C[NH3+])C1 ZINC001246597740 988194878 /nfs/dbraw/zinc/19/48/78/988194878.db2.gz MIUJYGBZJUOHAD-LLVKDONJSA-N 2 1 236.334 2.037 20 0 BEADMP CC(C)CCC[C@@H](C)[NH+]1CC2(C1)CC[NH2+]C2 ZINC001246616464 988257164 /nfs/dbraw/zinc/25/71/64/988257164.db2.gz WPSUBIGHRDZGEI-CYBMUJFWSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@H+](CCCc1c[nH+]cn1C)C(C)(C)C ZINC001118369155 988268063 /nfs/dbraw/zinc/26/80/63/988268063.db2.gz XQDCJEPMWIFECG-UHFFFAOYSA-N 2 1 223.364 2.473 20 0 BEADMP CC[N@@H+](CCCc1c[nH+]cn1C)C(C)(C)C ZINC001118369155 988268069 /nfs/dbraw/zinc/26/80/69/988268069.db2.gz XQDCJEPMWIFECG-UHFFFAOYSA-N 2 1 223.364 2.473 20 0 BEADMP CC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246629746 988303710 /nfs/dbraw/zinc/30/37/10/988303710.db2.gz GEGGVJOEUIMRKL-HRCADAONSA-N 2 1 244.382 2.444 20 0 BEADMP CC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246629746 988303726 /nfs/dbraw/zinc/30/37/26/988303726.db2.gz GEGGVJOEUIMRKL-HRCADAONSA-N 2 1 244.382 2.444 20 0 BEADMP CC(C)C1CCC([N@H+]2CCC3(C[NH2+]C3)C2)CC1 ZINC001246628968 988305207 /nfs/dbraw/zinc/30/52/07/988305207.db2.gz FDSJKQGVJZRUFZ-UHFFFAOYSA-N 2 1 236.403 2.497 20 0 BEADMP CC1CCC([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001246635509 988324861 /nfs/dbraw/zinc/32/48/61/988324861.db2.gz CBSVSPMQVNDZDK-FIYWTHMPSA-N 2 1 208.349 2.001 20 0 BEADMP CC[C@H](CC(C)C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246638658 988338331 /nfs/dbraw/zinc/33/83/31/988338331.db2.gz BSZFQDLWTPNLJJ-FRRDWIJNSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)C[C@@H]1C ZINC001246642106 988347094 /nfs/dbraw/zinc/34/70/94/988347094.db2.gz ZEYVORMFGNMNBC-XVIXHAIJSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH+]2CCC3(CC(F)C3)CC2)CC[NH2+]1 ZINC001246640656 988347584 /nfs/dbraw/zinc/34/75/84/988347584.db2.gz AYQHKPIDDVKHNM-DGCLKSJQSA-N 2 1 240.366 2.341 20 0 BEADMP CCC[C@H](C)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246641307 988348577 /nfs/dbraw/zinc/34/85/77/988348577.db2.gz DHVWQVWJONFZMG-STQMWFEESA-N 2 1 210.365 2.393 20 0 BEADMP CCc1ccc(C[C@H](C)[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001246644104 988357527 /nfs/dbraw/zinc/35/75/27/988357527.db2.gz JJNZLDBIXACQQN-RCBQFDQVSA-N 2 1 244.382 2.213 20 0 BEADMP CCc1ccc(C[C@H](C)[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001246644104 988357534 /nfs/dbraw/zinc/35/75/34/988357534.db2.gz JJNZLDBIXACQQN-RCBQFDQVSA-N 2 1 244.382 2.213 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]32)C[C@@H]1C ZINC001246644879 988358816 /nfs/dbraw/zinc/35/88/16/988358816.db2.gz JKVJDJFCXRXNMX-IKOXMDCHSA-N 2 1 222.376 2.105 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C[C@H]1C ZINC001246647143 988360571 /nfs/dbraw/zinc/36/05/71/988360571.db2.gz ZEYVORMFGNMNBC-PEBLQZBPSA-N 2 1 222.376 2.247 20 0 BEADMP CC[C@@H](Cc1ccccc1)[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246649828 988372971 /nfs/dbraw/zinc/37/29/71/988372971.db2.gz FSQRYPJOCLBMBC-HRCADAONSA-N 2 1 244.382 2.301 20 0 BEADMP CC[C@@H](Cc1ccccc1)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246649828 988372980 /nfs/dbraw/zinc/37/29/80/988372980.db2.gz FSQRYPJOCLBMBC-HRCADAONSA-N 2 1 244.382 2.301 20 0 BEADMP CC(C)C1CCC([N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001246650894 988376104 /nfs/dbraw/zinc/37/61/04/988376104.db2.gz JPSFNXNRRHRUQT-OOJKYFRXSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3CCC[C@H]3C2)CC[NH2+]1 ZINC001246653414 988378947 /nfs/dbraw/zinc/37/89/47/988378947.db2.gz DMLRGTQBXRZTRB-YIYPIFLZSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3CCC[C@H]3C2)CC[NH2+]1 ZINC001246653414 988378958 /nfs/dbraw/zinc/37/89/58/988378958.db2.gz DMLRGTQBXRZTRB-YIYPIFLZSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@H](Cc1ccc(F)cc1)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246656358 988382293 /nfs/dbraw/zinc/38/22/93/988382293.db2.gz NAMZUTOOPVEZSY-OSAQELSMSA-N 2 1 248.345 2.180 20 0 BEADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246656358 988382303 /nfs/dbraw/zinc/38/23/03/988382303.db2.gz NAMZUTOOPVEZSY-OSAQELSMSA-N 2 1 248.345 2.180 20 0 BEADMP CCC[C@H](Cc1ccccc1)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246657929 988386323 /nfs/dbraw/zinc/38/63/23/988386323.db2.gz AOGLKUOMMWXMKW-LVQVYYBASA-N 2 1 244.382 2.287 20 0 BEADMP C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246656185 988387773 /nfs/dbraw/zinc/38/77/73/988387773.db2.gz NAMZUTOOPVEZSY-CORIIIEPSA-N 2 1 248.345 2.180 20 0 BEADMP C[C@@H](Cc1ccc(F)cc1)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246656185 988387784 /nfs/dbraw/zinc/38/77/84/988387784.db2.gz NAMZUTOOPVEZSY-CORIIIEPSA-N 2 1 248.345 2.180 20 0 BEADMP CCC[C@@H](Cc1ccccc1)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246657927 988388600 /nfs/dbraw/zinc/38/86/00/988388600.db2.gz AOGLKUOMMWXMKW-JONQDZQNSA-N 2 1 244.382 2.287 20 0 BEADMP C[C@H]1CCC[C@H]([N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)C1 ZINC001246659252 988391066 /nfs/dbraw/zinc/39/10/66/988391066.db2.gz RIICSFOYHHYGEM-CRWXNKLISA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)C[C@@H]1C ZINC001246661416 988396001 /nfs/dbraw/zinc/39/60/01/988396001.db2.gz XDSBXHAHRYUXKM-KHMAMNHCSA-N 2 1 236.403 2.495 20 0 BEADMP CCCC[C@@H](CC(C)C)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246661857 988400853 /nfs/dbraw/zinc/40/08/53/988400853.db2.gz MHCHQAMZUXPSLY-FQUUOJAGSA-N 2 1 224.392 2.480 20 0 BEADMP CC[C@@H]1CC[C@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC001246666801 988408491 /nfs/dbraw/zinc/40/84/91/988408491.db2.gz RTBDHAAIRCJBPT-YIYPIFLZSA-N 2 1 222.376 2.378 20 0 BEADMP CC[C@H](CC(C)C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246667419 988409007 /nfs/dbraw/zinc/40/90/07/988409007.db2.gz KLKSKHSCSZQZIG-MGPQQGTHSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@H]1CCC[C@@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC001246666661 988410886 /nfs/dbraw/zinc/41/08/86/988410886.db2.gz RPOBIGCGUMYTCB-REWJHTLYSA-N 2 1 222.376 2.378 20 0 BEADMP CC[C@H]1CC[C@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC001246666800 988411834 /nfs/dbraw/zinc/41/18/34/988411834.db2.gz RTBDHAAIRCJBPT-RFQIPJPRSA-N 2 1 222.376 2.378 20 0 BEADMP c1ccc([C@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)nc1 ZINC001246808158 988491003 /nfs/dbraw/zinc/49/10/03/988491003.db2.gz RNBGSGRDZUOBHR-ZDUSSCGKSA-N 2 1 245.370 2.013 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@H]2c2cccnc2)CC[NH2+]1 ZINC001246834770 988532672 /nfs/dbraw/zinc/53/26/72/988532672.db2.gz GRIWUJRGCQAVSH-NWANDNLSSA-N 2 1 245.370 2.359 20 0 BEADMP COc1ccccc1[C@H](C)[N@H+](C)C1CC[NH2+]CC1 ZINC001246841189 988549872 /nfs/dbraw/zinc/54/98/72/988549872.db2.gz UQWFSQFVBKQNES-LBPRGKRZSA-N 2 1 248.370 2.440 20 0 BEADMP COc1ccccc1[C@H](C)[N@@H+](C)C1CC[NH2+]CC1 ZINC001246841189 988549882 /nfs/dbraw/zinc/54/98/82/988549882.db2.gz UQWFSQFVBKQNES-LBPRGKRZSA-N 2 1 248.370 2.440 20 0 BEADMP CC[C@H](CC(C)C)[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001246842848 988550230 /nfs/dbraw/zinc/55/02/30/988550230.db2.gz DZLBQQYOQMZFTN-MELADBBJSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CC2(C)C)CC[NH2+]1 ZINC001246846177 988553386 /nfs/dbraw/zinc/55/33/86/988553386.db2.gz NDDBSKYPKCPMMD-GRYCIOLGSA-N 2 1 210.365 2.105 20 0 BEADMP CCCCC[C@H](C)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001246845910 988554472 /nfs/dbraw/zinc/55/44/72/988554472.db2.gz NERUPRRCAVXVSR-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246850255 988563505 /nfs/dbraw/zinc/56/35/05/988563505.db2.gz BWOUWYNYSLOQBZ-FQUUOJAGSA-N 2 1 240.391 2.003 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246850255 988563518 /nfs/dbraw/zinc/56/35/18/988563518.db2.gz BWOUWYNYSLOQBZ-FQUUOJAGSA-N 2 1 240.391 2.003 20 0 BEADMP FC1CC2(C1)CCC[N@@H+]([C@@H]1CCC[NH2+]C1)CC2 ZINC001246852350 988571861 /nfs/dbraw/zinc/57/18/61/988571861.db2.gz IONLBZQFTWVZRJ-ROKHWSDSSA-N 2 1 240.366 2.343 20 0 BEADMP FC1CC2(C1)CCC[N@H+]([C@@H]1CCC[NH2+]C1)CC2 ZINC001246852350 988571873 /nfs/dbraw/zinc/57/18/73/988571873.db2.gz IONLBZQFTWVZRJ-ROKHWSDSSA-N 2 1 240.366 2.343 20 0 BEADMP [NH3+][C@@]12CC[C@H]1C[N@H+](C1CCC3(CC3)CC1)C2 ZINC001246859343 988584329 /nfs/dbraw/zinc/58/43/29/988584329.db2.gz JWNDMUDRULCZPO-SMDDNHRTSA-N 2 1 220.360 2.132 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)Cc2ccc(C)cc2)C1 ZINC001246863876 988614262 /nfs/dbraw/zinc/61/42/62/988614262.db2.gz LZQIQHZPHLTMDG-GDBMZVCRSA-N 2 1 246.398 2.467 20 0 BEADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246868800 988627813 /nfs/dbraw/zinc/62/78/13/988627813.db2.gz LSHODFREEADKBU-IGQOVBAYSA-N 2 1 224.392 2.480 20 0 BEADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246868800 988627827 /nfs/dbraw/zinc/62/78/27/988627827.db2.gz LSHODFREEADKBU-IGQOVBAYSA-N 2 1 224.392 2.480 20 0 BEADMP [NH3+][C@]12C[C@H]1C[N@@H+](C1CCCCCCC1)C2 ZINC001246871451 988634779 /nfs/dbraw/zinc/63/47/79/988634779.db2.gz QHYULFVWXVLZNV-AAEUAGOBSA-N 2 1 208.349 2.132 20 0 BEADMP [NH3+][C@]12C[C@H]1C[N@H+](C1CCCCCCC1)C2 ZINC001246871451 988634790 /nfs/dbraw/zinc/63/47/90/988634790.db2.gz QHYULFVWXVLZNV-AAEUAGOBSA-N 2 1 208.349 2.132 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@H]2c2ccccn2)CC[NH2+]1 ZINC001246884314 988651823 /nfs/dbraw/zinc/65/18/23/988651823.db2.gz AIIFANYEGHNOCQ-GZBFAFLISA-N 2 1 245.370 2.359 20 0 BEADMP CCC[N@@H+](C1CCOCC1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246900256 988673691 /nfs/dbraw/zinc/67/36/91/988673691.db2.gz UOTJSRDMYYEVPC-GXTWGEPZSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC001118898758 988675526 /nfs/dbraw/zinc/67/55/26/988675526.db2.gz YXDGYHLTOXHJDJ-CYUUQNCZSA-N 2 1 230.355 2.069 20 0 BEADMP CCC[N@@H+](CC(C)C)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246911253 988695195 /nfs/dbraw/zinc/69/51/95/988695195.db2.gz OIIAVQFDHUTTLZ-LBPRGKRZSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1CCC[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246928731 988747616 /nfs/dbraw/zinc/74/76/16/988747616.db2.gz BTMCBCPGVNNINB-KBXIAJHMSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H]1CC[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246935401 988767728 /nfs/dbraw/zinc/76/77/28/988767728.db2.gz VDBMWDDJAWCDJQ-FQUUOJAGSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246935403 988768765 /nfs/dbraw/zinc/76/87/65/988768765.db2.gz VDBMWDDJAWCDJQ-IGQOVBAYSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@H]1CC[C@@H]([N@@H+]2CCCC3(CCC3)C2)C[NH2+]1 ZINC001246943517 988772407 /nfs/dbraw/zinc/77/24/07/988772407.db2.gz UNONMYTYQTZIOO-QWHCGFSZSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@H]1CC[C@@H]([N@H+]2CCCC3(CCC3)C2)C[NH2+]1 ZINC001246943517 988772413 /nfs/dbraw/zinc/77/24/13/988772413.db2.gz UNONMYTYQTZIOO-QWHCGFSZSA-N 2 1 222.376 2.393 20 0 BEADMP CO[C@@H]1C[N@H+]([C@@H](C)C[C@H](C)CC(C)C)C[C@@H]1N ZINC001246983892 988816238 /nfs/dbraw/zinc/81/62/38/988816238.db2.gz VTJDXDOLENTBCH-ZOBORPQBSA-N 2 1 242.407 2.105 20 0 BEADMP CCCC[C@H](CCC)[N@@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246993028 988824007 /nfs/dbraw/zinc/82/40/07/988824007.db2.gz YOJIBYNPBYNZDD-STQMWFEESA-N 2 1 240.391 2.005 20 0 BEADMP CCCC[C@H](CCC)[N@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246993028 988824008 /nfs/dbraw/zinc/82/40/08/988824008.db2.gz YOJIBYNPBYNZDD-STQMWFEESA-N 2 1 240.391 2.005 20 0 BEADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]CCC[C@@H]1CCO1 ZINC001119243788 988859813 /nfs/dbraw/zinc/85/98/13/988859813.db2.gz YEFZANPGCVBPJX-HZSPNIEDSA-N 2 1 240.391 2.018 20 0 BEADMP CCc1ccc(NCC[C@H](C)[NH+](C)C)[nH+]c1 ZINC001515892288 989128479 /nfs/dbraw/zinc/12/84/79/989128479.db2.gz RQIRPPQOTGXQPS-NSHDSACASA-N 2 1 221.348 2.396 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+]Cc1cnc(C(C)C)s1 ZINC001325269500 989136753 /nfs/dbraw/zinc/13/67/53/989136753.db2.gz YMTDSFBCAMJFSI-SNVBAGLBSA-N 2 1 241.404 2.354 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cnc(C)s1 ZINC001325742072 989246332 /nfs/dbraw/zinc/24/63/32/989246332.db2.gz ASGRXNGUUXXJKQ-DTWKUNHWSA-N 2 1 227.377 2.100 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCC(F)F)CC1(C)C ZINC001308550679 991031968 /nfs/dbraw/zinc/03/19/68/991031968.db2.gz SMBSBCJHIAEMSV-VIFPVBQESA-N 2 1 220.307 2.104 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@@H](C)Cc1ccco1 ZINC001258176413 991073995 /nfs/dbraw/zinc/07/39/95/991073995.db2.gz UPAAOARQUZGKEL-LBPRGKRZSA-N 2 1 224.348 2.271 20 0 BEADMP C[C@H](Cc1ccco1)[N@@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001258196919 991111075 /nfs/dbraw/zinc/11/10/75/991111075.db2.gz BNTLSOYACQAMAQ-IPYPFGDCSA-N 2 1 248.370 2.237 20 0 BEADMP CSCC[C@@H](C)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001258223793 991159908 /nfs/dbraw/zinc/15/99/08/991159908.db2.gz FIJPJGUOIDYLBD-JHJVBQTASA-N 2 1 242.432 2.012 20 0 BEADMP CSCC[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001258226763 991162044 /nfs/dbraw/zinc/16/20/44/991162044.db2.gz RHHBGBGAQLLMOE-CHWSQXEVSA-N 2 1 242.432 2.156 20 0 BEADMP CSCC[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001258226763 991162049 /nfs/dbraw/zinc/16/20/49/991162049.db2.gz RHHBGBGAQLLMOE-CHWSQXEVSA-N 2 1 242.432 2.156 20 0 BEADMP CSCC[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001258226763 991162056 /nfs/dbraw/zinc/16/20/56/991162056.db2.gz RHHBGBGAQLLMOE-CHWSQXEVSA-N 2 1 242.432 2.156 20 0 BEADMP CC(C)SCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001308984331 991252727 /nfs/dbraw/zinc/25/27/27/991252727.db2.gz HGSBODJXOVUNOB-FRRDWIJNSA-N 2 1 242.432 2.058 20 0 BEADMP CC(C)[C@@H]1C[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001308986100 991252787 /nfs/dbraw/zinc/25/27/87/991252787.db2.gz BEELJBCUMBWBMI-UONOGXRCSA-N 2 1 222.376 2.247 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CC4(CCC4)C3)[C@@H]2C1 ZINC001308983729 991252871 /nfs/dbraw/zinc/25/28/71/991252871.db2.gz AVYILQVSOFLQMX-IACUBPJLSA-N 2 1 234.387 2.249 20 0 BEADMP CCCCC(CCCC)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001258377860 991332233 /nfs/dbraw/zinc/33/22/33/991332233.db2.gz BYJYRVKZXXYQHK-CQSZACIVSA-N 2 1 242.407 2.395 20 0 BEADMP C[C@@H](CC1CC1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258460588 991413313 /nfs/dbraw/zinc/41/33/13/991413313.db2.gz IWKNYLRXCMONKL-YUTCNCBUSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H](CC1CC1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001258460588 991413320 /nfs/dbraw/zinc/41/33/20/991413320.db2.gz IWKNYLRXCMONKL-YUTCNCBUSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001560622563 991523210 /nfs/dbraw/zinc/52/32/10/991523210.db2.gz KSRMRUOLXDYHLW-PEBLQZBPSA-N 2 1 222.376 2.105 20 0 BEADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H](N)C1 ZINC001258648996 991580686 /nfs/dbraw/zinc/58/06/86/991580686.db2.gz ATTBYRYHCAQSLZ-CABCVRRESA-N 2 1 232.371 2.431 20 0 BEADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC001258648996 991580706 /nfs/dbraw/zinc/58/07/06/991580706.db2.gz ATTBYRYHCAQSLZ-CABCVRRESA-N 2 1 232.371 2.431 20 0 BEADMP CCCCC[C@@H](CCC)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001258661482 991597915 /nfs/dbraw/zinc/59/79/15/991597915.db2.gz GFSMVEDUALUGSB-ZIAGYGMSSA-N 2 1 242.407 2.395 20 0 BEADMP Cc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)ccc1O ZINC001140574361 991674943 /nfs/dbraw/zinc/67/49/43/991674943.db2.gz ANQCYSRKUTYKBL-UHFFFAOYSA-N 2 1 248.370 2.227 20 0 BEADMP Cc1cc(C[N@H+](C)C2CC[NH+](C)CC2)ccc1O ZINC001140574361 991674945 /nfs/dbraw/zinc/67/49/45/991674945.db2.gz ANQCYSRKUTYKBL-UHFFFAOYSA-N 2 1 248.370 2.227 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21)C1CCC1 ZINC001561053645 991712317 /nfs/dbraw/zinc/71/23/17/991712317.db2.gz XZYWYUREPOJRHZ-ZQDZILKHSA-N 2 1 236.403 2.495 20 0 BEADMP CCC[NH+]1CCC([N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001258775280 991738421 /nfs/dbraw/zinc/73/84/21/991738421.db2.gz ILUXDYHHGAIKKS-OKILXGFUSA-N 2 1 236.403 2.449 20 0 BEADMP COCCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001319393512 991857084 /nfs/dbraw/zinc/85/70/84/991857084.db2.gz LUXCNYBRSVJNIM-MELADBBJSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@H](Cc1ccccc1)[NH2+]C1(C[NH3+])CC1 ZINC001258843379 991876366 /nfs/dbraw/zinc/87/63/66/991876366.db2.gz DWKIGRLGEHPZHI-CYBMUJFWSA-N 2 1 218.344 2.089 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)C(C)(C)CN ZINC001258902739 991892067 /nfs/dbraw/zinc/89/20/67/991892067.db2.gz ZBHMPDKCIXFTCZ-CYBMUJFWSA-N 2 1 243.439 2.166 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](OC)C1 ZINC001258907703 991895896 /nfs/dbraw/zinc/89/58/96/991895896.db2.gz MVALTROYWCVYNB-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCOC[C@@H]1C ZINC001258907278 991896995 /nfs/dbraw/zinc/89/69/95/991896995.db2.gz HKWMHHKAZLQWMS-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCOC[C@H]1C ZINC001258907281 991899538 /nfs/dbraw/zinc/89/95/38/991899538.db2.gz HKWMHHKAZLQWMS-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP Cc1ccccc1NC(=[NH2+])NCC[N@@H+](C)C1CC1 ZINC001261566414 992387081 /nfs/dbraw/zinc/38/70/81/992387081.db2.gz GSOOQTTUHKOIHA-UHFFFAOYSA-N 2 1 246.358 2.025 20 0 BEADMP Cc1ccccc1NC(=[NH2+])NCC[N@H+](C)C1CC1 ZINC001261566414 992387091 /nfs/dbraw/zinc/38/70/91/992387091.db2.gz GSOOQTTUHKOIHA-UHFFFAOYSA-N 2 1 246.358 2.025 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]C/C=C/C2CC2)CC1(C)C ZINC001261789259 992507827 /nfs/dbraw/zinc/50/78/27/992507827.db2.gz XYVJRJNCWOSORV-MUBLQREKSA-N 2 1 222.376 2.415 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]CCC(C)(C)C)[C@H]2C1 ZINC001474757048 992524128 /nfs/dbraw/zinc/52/41/28/992524128.db2.gz OTAHFWVGBKLQIC-AVGNSLFASA-N 2 1 224.392 2.352 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC001574270551 992835793 /nfs/dbraw/zinc/83/57/93/992835793.db2.gz HVBUOIHCCLVJEY-ZDUSSCGKSA-N 2 1 243.354 2.339 20 0 BEADMP C1=CCCC(C[NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001574773390 992901165 /nfs/dbraw/zinc/90/11/65/992901165.db2.gz CQBROIGABVPXNU-CYBMUJFWSA-N 2 1 208.349 2.074 20 0 BEADMP C1=C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCCC[NH2+]C1 ZINC001574774709 992902693 /nfs/dbraw/zinc/90/26/93/992902693.db2.gz PFUYORRKZXLQMX-MELADBBJSA-N 2 1 220.360 2.169 20 0 BEADMP C(C1CCC1)[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001574774986 992903451 /nfs/dbraw/zinc/90/34/51/992903451.db2.gz SIWCOGSEKYFQMI-AWEZNQCLSA-N 2 1 222.376 2.395 20 0 BEADMP CC(C)(C[NH3+])C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC001575315745 993012165 /nfs/dbraw/zinc/01/21/65/993012165.db2.gz XMLGEZIALILQJQ-CYBMUJFWSA-N 2 1 247.386 2.449 20 0 BEADMP CC(C)(C[NH3+])C[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC001575315745 993012167 /nfs/dbraw/zinc/01/21/67/993012167.db2.gz XMLGEZIALILQJQ-CYBMUJFWSA-N 2 1 247.386 2.449 20 0 BEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC001575498152 993060805 /nfs/dbraw/zinc/06/08/05/993060805.db2.gz IXNRCRCAOHRLBH-HTVCTNPSSA-N 2 1 224.392 2.397 20 0 BEADMP C[C@H](CO)[N@@H+](CCCCCC[NH3+])C1CCCC1 ZINC001576039274 993165095 /nfs/dbraw/zinc/16/50/95/993165095.db2.gz ZFHQRALFSOPKOO-CYBMUJFWSA-N 2 1 242.407 2.131 20 0 BEADMP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001576051374 993167464 /nfs/dbraw/zinc/16/74/64/993167464.db2.gz ABFGGMGZYQNSQA-QPKOPYBWSA-N 2 1 248.345 2.239 20 0 BEADMP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@@H](C)C[NH3+] ZINC001576053233 993167672 /nfs/dbraw/zinc/16/76/72/993167672.db2.gz UWTWCYSNEZFWSF-OLZOCXBDSA-N 2 1 246.398 2.433 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2F)CC1 ZINC000378668106 993198751 /nfs/dbraw/zinc/19/87/51/993198751.db2.gz HUSFACPHPOANLZ-YNEHKIRRSA-N 2 1 228.355 2.341 20 0 BEADMP CC1(C)[C@H]([NH2+][C@H]2CCCc3cccnc32)C[C@@H]1[NH3+] ZINC001576380194 993286971 /nfs/dbraw/zinc/28/69/71/993286971.db2.gz JVUCDMYXCSTYKS-RWMBFGLXSA-N 2 1 245.370 2.174 20 0 BEADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccsc2)C1 ZINC000379908975 993292879 /nfs/dbraw/zinc/29/28/79/993292879.db2.gz LJSBZNFMPKHUJB-LLVKDONJSA-N 2 1 224.373 2.309 20 0 BEADMP CC1(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)CCC1 ZINC001576502400 993325651 /nfs/dbraw/zinc/32/56/51/993325651.db2.gz CIINHJMKVSDBBL-VXGBXAGGSA-N 2 1 208.349 2.003 20 0 BEADMP CC1(C[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)CCC1 ZINC001576502400 993325656 /nfs/dbraw/zinc/32/56/56/993325656.db2.gz CIINHJMKVSDBBL-VXGBXAGGSA-N 2 1 208.349 2.003 20 0 BEADMP CC1=CCC[C@@H](C)[C@H]1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001576555492 993342065 /nfs/dbraw/zinc/34/20/65/993342065.db2.gz HYVSTPZZCIFQRM-KBXIAJHMSA-N 2 1 234.387 2.130 20 0 BEADMP Cc1ncsc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000380752190 993344902 /nfs/dbraw/zinc/34/49/02/993344902.db2.gz UJJFVYNHAKHNKF-LLVKDONJSA-N 2 1 239.388 2.012 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC12CCC(CC1)C2 ZINC001576608559 993366450 /nfs/dbraw/zinc/36/64/50/993366450.db2.gz UNJIQEHAFMBHIZ-ZIHBUVQPSA-N 2 1 222.376 2.378 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC=CC[C@H]2C)C[NH2+]1 ZINC001576671279 993388110 /nfs/dbraw/zinc/38/81/10/993388110.db2.gz WPVQXYUFPOUKFK-FVCCEPFGSA-N 2 1 208.349 2.071 20 0 BEADMP CC(C)C([NH2+][C@@H]1C[NH2+]C[C@H](C)C1)C(C)C ZINC001576849774 993435183 /nfs/dbraw/zinc/43/51/83/993435183.db2.gz KEFAXJHQERADKR-NEPJUHHUSA-N 2 1 212.381 2.255 20 0 BEADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCC[C@H]2C=CCC2)C1 ZINC001576849832 993434033 /nfs/dbraw/zinc/43/40/33/993434033.db2.gz LEBGHUARJKHCGK-IHRRRGAJSA-N 2 1 222.376 2.320 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C/C=C/C2CC2)CC[N@H+]1C ZINC000382312863 993447571 /nfs/dbraw/zinc/44/75/71/993447571.db2.gz QPCUKPDTDLLCIG-NAGRZINJSA-N 2 1 208.349 2.025 20 0 BEADMP C[C@@H]1Oc2ccccc2[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001576913898 993453696 /nfs/dbraw/zinc/45/36/96/993453696.db2.gz MBJIEGWBAOZAEV-ZOWXZIJZSA-N 2 1 246.354 2.098 20 0 BEADMP CC[C@H](C)[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1)OC ZINC001576961228 993471069 /nfs/dbraw/zinc/47/10/69/993471069.db2.gz LZTCBGMRFQORMR-FQUUOJAGSA-N 2 1 242.407 2.107 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc2occc2c1 ZINC001577124431 993510713 /nfs/dbraw/zinc/51/07/13/993510713.db2.gz AKXIXWYTSHOYGY-LBPRGKRZSA-N 2 1 218.300 2.260 20 0 BEADMP C[C@H]1C[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C[C@@H](C)C1 ZINC000383859963 993528148 /nfs/dbraw/zinc/52/81/48/993528148.db2.gz NPJJPHVDFFGFHV-ZQNQSHIBSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C[C@@H](C)C1 ZINC000383859963 993528158 /nfs/dbraw/zinc/52/81/58/993528158.db2.gz NPJJPHVDFFGFHV-ZQNQSHIBSA-N 2 1 236.403 2.495 20 0 BEADMP CC[C@H]1CCCC[C@H]1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001577249151 993560956 /nfs/dbraw/zinc/56/09/56/993560956.db2.gz FMGZQFKGGKKLAF-BYNSBNAKSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@H]1CCCC[C@H]1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001577249151 993560968 /nfs/dbraw/zinc/56/09/68/993560968.db2.gz FMGZQFKGGKKLAF-BYNSBNAKSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)[C@@H]1C ZINC001577263386 993564375 /nfs/dbraw/zinc/56/43/75/993564375.db2.gz RMWFVMXRIMBMTH-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC001577374833 993630790 /nfs/dbraw/zinc/63/07/90/993630790.db2.gz HGFMBEBNSJSNFQ-TUVASFSCSA-N 2 1 236.403 2.497 20 0 BEADMP CC[N@H+](C[C@H](C)OC)C[C@@H]([NH3+])CCC(C)(C)C ZINC001577672059 993721757 /nfs/dbraw/zinc/72/17/57/993721757.db2.gz SETSLJDYAWDXOO-STQMWFEESA-N 2 1 244.423 2.497 20 0 BEADMP CC[N@@H+](C[C@H](C)OC)C[C@@H]([NH3+])CCC(C)(C)C ZINC001577672059 993721767 /nfs/dbraw/zinc/72/17/67/993721767.db2.gz SETSLJDYAWDXOO-STQMWFEESA-N 2 1 244.423 2.497 20 0 BEADMP C[C@@H]1CC[C@@H]([N@@H+]2CC3CCC2CC3)C[NH2+]1 ZINC000389717388 993763307 /nfs/dbraw/zinc/76/33/07/993763307.db2.gz OJHMESBQGBKMML-IKWCTNDRSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CC3CCC2CC3)C[NH2+]1 ZINC000389717388 993763319 /nfs/dbraw/zinc/76/33/19/993763319.db2.gz OJHMESBQGBKMML-IKWCTNDRSA-N 2 1 208.349 2.001 20 0 BEADMP CC(C)CC[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000390189735 993779031 /nfs/dbraw/zinc/77/90/31/993779031.db2.gz MTCKVGWQGBDUHM-BFHYXJOUSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)CC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000390189735 993779038 /nfs/dbraw/zinc/77/90/38/993779038.db2.gz MTCKVGWQGBDUHM-BFHYXJOUSA-N 2 1 224.392 2.495 20 0 BEADMP C[N@@H+](C[C@@H]1CC1(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000700672772 993846181 /nfs/dbraw/zinc/84/61/81/993846181.db2.gz NJPMFUKPSUBXGJ-ACJTYDJDSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CC1(c2ccccc2)CC1 ZINC000702795652 994049599 /nfs/dbraw/zinc/04/95/99/994049599.db2.gz NTBUBFJZNGYJSD-TZMCWYRMSA-N 2 1 230.355 2.140 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CC1(c2ccccc2)CC1 ZINC000702795652 994049610 /nfs/dbraw/zinc/04/96/10/994049610.db2.gz NTBUBFJZNGYJSD-TZMCWYRMSA-N 2 1 230.355 2.140 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]C2CC3(CCC3)C2)C[NH2+]1 ZINC000829314716 994573379 /nfs/dbraw/zinc/57/33/79/994573379.db2.gz USYYTIJIODJRAT-QWRGUYRKSA-N 2 1 208.349 2.049 20 0 BEADMP Cc1ccc(NCc2cccc(C[NH3+])c2)[nH+]c1 ZINC000036202498 1170200010 /nfs/dbraw/zinc/20/00/10/1170200010.db2.gz JSOLLYVDNYXCMS-UHFFFAOYSA-N 2 1 227.311 2.461 20 0 BEADMP CC[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)[C@@H]1C ZINC001621270275 1170756748 /nfs/dbraw/zinc/75/67/48/1170756748.db2.gz QYSAKBDPOZMOLB-OCCSQVGLSA-N 2 1 224.392 2.449 20 0 BEADMP Cc1coc(C[NH2+]C[C@H]2C[NH+]3CCC2CC3)c1 ZINC001621551473 1170847589 /nfs/dbraw/zinc/84/75/89/1170847589.db2.gz JMQBXIZGQIAOSJ-ZDUSSCGKSA-N 2 1 234.343 2.019 20 0 BEADMP CC(C)CC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037408394 1170942759 /nfs/dbraw/zinc/94/27/59/1170942759.db2.gz PHDHZBVPYOHLED-LBPRGKRZSA-N 2 1 210.365 2.106 20 0 BEADMP CCC[N@@H+](CCc1ccccn1)C1CC[NH2+]CC1 ZINC000037662669 1170964775 /nfs/dbraw/zinc/96/47/75/1170964775.db2.gz ZMJPOXGTRRJQCU-UHFFFAOYSA-N 2 1 247.386 2.088 20 0 BEADMP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043326917 1171280211 /nfs/dbraw/zinc/28/02/11/1171280211.db2.gz DCIHIAUBTFHRTO-GXTWGEPZSA-N 2 1 248.370 2.055 20 0 BEADMP CCCC[C@@H](CC)C[N@@H+](C)CCC[NH3+] ZINC000043454487 1171288817 /nfs/dbraw/zinc/28/88/17/1171288817.db2.gz HXASIGVEWQOPLT-GFCCVEGCSA-N 2 1 200.370 2.483 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000044673829 1171404036 /nfs/dbraw/zinc/40/40/36/1171404036.db2.gz NCIGFVSIISIYDJ-LSDHHAIUSA-N 2 1 230.355 2.226 20 0 BEADMP C[N@@H+](CC[C@H]1CCCC[NH2+]1)CC(C)(C)C ZINC000045074020 1171432926 /nfs/dbraw/zinc/43/29/26/1171432926.db2.gz HVVYVVRRZQGXGY-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CC(C)CCC[C@@H](C)[N@H+]1CCC[NH2+]CC1 ZINC000049660681 1171718331 /nfs/dbraw/zinc/71/83/31/1171718331.db2.gz HKFAXXQAZJSRGA-CYBMUJFWSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2F)CC[N@@H+]1C ZINC000378684324 346808112 /nfs/dbraw/zinc/80/81/12/346808112.db2.gz DHMKHQAICNLNSD-UMSGYPCISA-N 2 1 228.355 2.339 20 0 BEADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2F)CC[N@H+]1C ZINC000378684324 346808114 /nfs/dbraw/zinc/80/81/14/346808114.db2.gz DHMKHQAICNLNSD-UMSGYPCISA-N 2 1 228.355 2.339 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]C1CCC(F)(F)CC1 ZINC000390032485 398155718 /nfs/dbraw/zinc/15/57/18/398155718.db2.gz YXWXILQCVMVJHV-UHFFFAOYSA-N 2 1 243.301 2.359 20 0 BEADMP Cc1cc(C[NH2+][C@@H](C)C[NH3+])ccc1Cl ZINC000162080168 178028099 /nfs/dbraw/zinc/02/80/99/178028099.db2.gz XFIJKYHZJCYCJJ-VIFPVBQESA-N 2 1 212.724 2.085 20 0 BEADMP C[C@@H](C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)C(C)(C)C ZINC000379814369 398170353 /nfs/dbraw/zinc/17/03/53/398170353.db2.gz PTZUNLMPGVRZRO-QJPTWQEYSA-N 2 1 212.381 2.338 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)C1CCC1 ZINC000177794874 136216995 /nfs/dbraw/zinc/21/69/95/136216995.db2.gz RNYQCXVJJWWMRX-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@H+](CC)CC[NH2+]CC1CC(OCC)C1 ZINC000638722514 398161853 /nfs/dbraw/zinc/16/18/53/398161853.db2.gz YWBAKOWUNFZKKU-UHFFFAOYSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+]CC1CC(OCC)C1 ZINC000638722514 398161854 /nfs/dbraw/zinc/16/18/54/398161854.db2.gz YWBAKOWUNFZKKU-UHFFFAOYSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@@H]([NH2+]CC[NH3+])c1cccc(-c2ccncc2)c1 ZINC000423174114 398164074 /nfs/dbraw/zinc/16/40/74/398164074.db2.gz BIIODBZVKBHHSM-GFCCVEGCSA-N 2 1 241.338 2.358 20 0 BEADMP CC[NH2+]CC[NH2+]C1CCC(CSC)CC1 ZINC000423233465 398165210 /nfs/dbraw/zinc/16/52/10/398165210.db2.gz JWZCZYGKTMTGJS-UHFFFAOYSA-N 2 1 230.421 2.107 20 0 BEADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc2ccccc2n1 ZINC000423306766 398165940 /nfs/dbraw/zinc/16/59/40/398165940.db2.gz USFHSJSGMWIDEM-NSHDSACASA-N 2 1 241.338 2.105 20 0 BEADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228152902 178085007 /nfs/dbraw/zinc/08/50/07/178085007.db2.gz PIQNNGBSKFCRMP-AAEUAGOBSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000235751353 178086243 /nfs/dbraw/zinc/08/62/43/178086243.db2.gz BLBFMOZWGLXXAN-CQSZACIVSA-N 2 1 236.334 2.305 20 0 BEADMP CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336696017 398194460 /nfs/dbraw/zinc/19/44/60/398194460.db2.gz LWLTWNFHCPMIDC-ZDEQEGDKSA-N 2 1 240.416 2.097 20 0 BEADMP Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc[nH+]1 ZINC000274390010 178118943 /nfs/dbraw/zinc/11/89/43/178118943.db2.gz VGRLQXQMBQJGFM-OCCSQVGLSA-N 2 1 231.343 2.063 20 0 BEADMP C[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)[C@H]1C ZINC000380602290 398202331 /nfs/dbraw/zinc/20/23/31/398202331.db2.gz HJGSJNOUCVGFNQ-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647801158 398207842 /nfs/dbraw/zinc/20/78/42/398207842.db2.gz PZJIBIHRUHKRNL-LCGIIJARSA-N 2 1 244.382 2.378 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+]CC[N@H+](C)C1CCCC1 ZINC000336763588 398217719 /nfs/dbraw/zinc/21/77/19/398217719.db2.gz PIXQRWCWNSTMRL-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000336763588 398217722 /nfs/dbraw/zinc/21/77/22/398217722.db2.gz PIXQRWCWNSTMRL-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1cc(NCC[N@H+](C)C(C)C)cc[nH+]1 ZINC000229566678 178159342 /nfs/dbraw/zinc/15/93/42/178159342.db2.gz CEYAIWZFOVRSHA-UHFFFAOYSA-N 2 1 207.321 2.142 20 0 BEADMP CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1C[C@H](C)[NH3+] ZINC000649414277 398212934 /nfs/dbraw/zinc/21/29/34/398212934.db2.gz PUXZLDXFCYEOHQ-GXTWGEPZSA-N 2 1 247.386 2.064 20 0 BEADMP CC[C@@H]1CN(C)c2ccccc2C[N@H+]1C[C@H](C)[NH3+] ZINC000649414277 398212935 /nfs/dbraw/zinc/21/29/35/398212935.db2.gz PUXZLDXFCYEOHQ-GXTWGEPZSA-N 2 1 247.386 2.064 20 0 BEADMP Cc1cc(NC[C@@H]2CCC[C@H]([NH3+])C2)nc(C)[nH+]1 ZINC000227670486 178166705 /nfs/dbraw/zinc/16/67/05/178166705.db2.gz JYXOYVRLYRRJTK-NEPJUHHUSA-N 2 1 234.347 2.023 20 0 BEADMP Cc1cc(NC[C@@H]2CCC[C@@H]([NH3+])C2)nc(C)[nH+]1 ZINC000227670477 178167708 /nfs/dbraw/zinc/16/77/08/178167708.db2.gz JYXOYVRLYRRJTK-VXGBXAGGSA-N 2 1 234.347 2.023 20 0 BEADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cccc(O)c1 ZINC000070148780 398220833 /nfs/dbraw/zinc/22/08/33/398220833.db2.gz BSLJZKCXTKPBDJ-CYBMUJFWSA-N 2 1 234.343 2.096 20 0 BEADMP CC(C)C[N@@H+](CCCc1cncn1C)C1CC1 ZINC000576408055 365587900 /nfs/dbraw/zinc/58/79/00/365587900.db2.gz BWZIKVRGSBGLQO-UHFFFAOYSA-N 2 1 235.375 2.473 20 0 BEADMP CC(C)C[N@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000576408055 365587901 /nfs/dbraw/zinc/58/79/01/365587901.db2.gz BWZIKVRGSBGLQO-UHFFFAOYSA-N 2 1 235.375 2.473 20 0 BEADMP CC(C)C[N@@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000576408055 365587902 /nfs/dbraw/zinc/58/79/02/365587902.db2.gz BWZIKVRGSBGLQO-UHFFFAOYSA-N 2 1 235.375 2.473 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)[C@@H]2CCCC[C@H]12 ZINC000647880340 398223194 /nfs/dbraw/zinc/22/31/94/398223194.db2.gz JSMBQFLJUPNZAR-KBUPBQIOSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1cc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)on1 ZINC000336523846 178241060 /nfs/dbraw/zinc/24/10/60/178241060.db2.gz FJWSQMOFZDUBCG-STQMWFEESA-N 2 1 249.358 2.120 20 0 BEADMP Cc1cc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)on1 ZINC000336523846 178241061 /nfs/dbraw/zinc/24/10/61/178241061.db2.gz FJWSQMOFZDUBCG-STQMWFEESA-N 2 1 249.358 2.120 20 0 BEADMP C[C@H]1C[C@@H]([N@@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000229539153 538939430 /nfs/dbraw/zinc/93/94/30/538939430.db2.gz PZHBMFMTNTYDNX-AAEUAGOBSA-N 2 1 210.365 2.391 20 0 BEADMP CCC(CC)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037408346 168361677 /nfs/dbraw/zinc/36/16/77/168361677.db2.gz LAIBNRWEXWPJPP-ZDUSSCGKSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ncc[nH]1 ZINC000285927247 538942446 /nfs/dbraw/zinc/94/24/46/538942446.db2.gz FCBQTUFTIGLGFY-NSHDSACASA-N 2 1 247.346 2.046 20 0 BEADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000062050561 398247828 /nfs/dbraw/zinc/24/78/28/398247828.db2.gz KZJNDPSZCZYTPG-BXUZGUMPSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@@H]1CCC[C@H](C)[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000381615839 398254280 /nfs/dbraw/zinc/25/42/80/398254280.db2.gz VEZKRZHDMVYNPY-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)C(C)(C)C ZINC000381595576 398265205 /nfs/dbraw/zinc/26/52/05/398265205.db2.gz JRISTSNIMWOORZ-FRRDWIJNSA-N 2 1 224.392 2.352 20 0 BEADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1c[nH]nc1C ZINC000179954821 538956469 /nfs/dbraw/zinc/95/64/69/538956469.db2.gz KOWQQGKGZYTYHH-NSHDSACASA-N 2 1 238.379 2.101 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1C[C@H]1C ZINC000321136986 342751210 /nfs/dbraw/zinc/75/12/10/342751210.db2.gz URTIDVHFBVBIRZ-RQJABVFESA-N 2 1 224.392 2.352 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000530513425 342801733 /nfs/dbraw/zinc/80/17/33/342801733.db2.gz ZFQFYVBSKSHUKJ-KGLIPLIRSA-N 2 1 233.359 2.131 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000530513427 342801772 /nfs/dbraw/zinc/80/17/72/342801772.db2.gz ZFQFYVBSKSHUKJ-ZIAGYGMSSA-N 2 1 233.359 2.131 20 0 BEADMP Cc1cc(N)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000335365123 398286956 /nfs/dbraw/zinc/28/69/56/398286956.db2.gz YIPJPUXLBHJZCZ-WFASDCNBSA-N 2 1 247.386 2.150 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(C)n1 ZINC000335614041 136237547 /nfs/dbraw/zinc/23/75/47/136237547.db2.gz NHXKWCRLSNABJM-XHDPSFHLSA-N 2 1 247.386 2.115 20 0 BEADMP Fc1ccc2c(c1)C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000335338223 398285200 /nfs/dbraw/zinc/28/52/00/398285200.db2.gz HKDJGRDSGXJRBX-GFCCVEGCSA-N 2 1 248.345 2.183 20 0 BEADMP Fc1ccc2c(c1)C[N@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000335338223 398285205 /nfs/dbraw/zinc/28/52/05/398285205.db2.gz HKDJGRDSGXJRBX-GFCCVEGCSA-N 2 1 248.345 2.183 20 0 BEADMP CC[C@@H](C)C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000040622286 538971839 /nfs/dbraw/zinc/97/18/39/538971839.db2.gz DVLASFIIZGGXPS-CHWSQXEVSA-N 2 1 212.381 2.352 20 0 BEADMP CCC(CC)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000336660236 168392566 /nfs/dbraw/zinc/39/25/66/168392566.db2.gz RLUMYYKTWBAJQB-LLVKDONJSA-N 2 1 200.370 2.493 20 0 BEADMP CCC(CC)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000336660236 168392568 /nfs/dbraw/zinc/39/25/68/168392568.db2.gz RLUMYYKTWBAJQB-LLVKDONJSA-N 2 1 200.370 2.493 20 0 BEADMP CCOC1CC[NH+](CCC[NH+](CC)CC)CC1 ZINC000189928820 538985991 /nfs/dbraw/zinc/98/59/91/538985991.db2.gz FVZWMOBBFTZZPA-UHFFFAOYSA-N 2 1 242.407 2.219 20 0 BEADMP CC[C@@H](C)C[NH2+][C@@H](C)C[NH+](CC)CC ZINC000045691779 538993001 /nfs/dbraw/zinc/99/30/01/538993001.db2.gz QUYODGQBQPVHQX-NEPJUHHUSA-N 2 1 200.370 2.352 20 0 BEADMP C[C@H]1CC[C@H]([N@@H+](C)C2CCCCC2)CN1 ZINC000062948529 539017074 /nfs/dbraw/zinc/01/70/74/539017074.db2.gz CPSPBZDFXOPRSP-AAEUAGOBSA-N 2 1 210.365 2.391 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CCC2(C)C)CC1 ZINC000308786334 342871385 /nfs/dbraw/zinc/87/13/85/342871385.db2.gz FSXPCLZVPVQAOZ-GFCCVEGCSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)C1CC([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000232537748 342856702 /nfs/dbraw/zinc/85/67/02/342856702.db2.gz SQOQEQDBSVVAEM-IYXRBSQSSA-N 2 1 224.392 2.352 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)s1 ZINC000234157791 342917284 /nfs/dbraw/zinc/91/72/84/342917284.db2.gz GTPHBBKOHKEOJP-ZDUSSCGKSA-N 2 1 238.400 2.481 20 0 BEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000304623325 398339242 /nfs/dbraw/zinc/33/92/42/398339242.db2.gz UITGBJDHMJCIAQ-WDEREUQCSA-N 2 1 234.334 2.385 20 0 BEADMP CC[C@H](CSC)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000162387676 349683524 /nfs/dbraw/zinc/68/35/24/349683524.db2.gz MRYSGFNAQBSGMJ-FRRDWIJNSA-N 2 1 242.432 2.344 20 0 BEADMP C[NH+](CCOC(C)(C)C)CC[C@@H]1CCC[N@H+]1C ZINC000678077782 488192541 /nfs/dbraw/zinc/19/25/41/488192541.db2.gz GUEGFRMKVMWFPF-ZDUSSCGKSA-N 2 1 242.407 2.218 20 0 BEADMP C[N@H+](CCOC(C)(C)C)CC[C@@H]1CCC[NH+]1C ZINC000678077782 488192535 /nfs/dbraw/zinc/19/25/35/488192535.db2.gz GUEGFRMKVMWFPF-ZDUSSCGKSA-N 2 1 242.407 2.218 20 0 BEADMP C[N@@H+](CCOC(C)(C)C)CC[C@@H]1CCC[NH+]1C ZINC000678077782 488192537 /nfs/dbraw/zinc/19/25/37/488192537.db2.gz GUEGFRMKVMWFPF-ZDUSSCGKSA-N 2 1 242.407 2.218 20 0 BEADMP C[NH+](CCOC(C)(C)C)CC[C@@H]1CCC[N@@H+]1C ZINC000678077782 488192540 /nfs/dbraw/zinc/19/25/40/488192540.db2.gz GUEGFRMKVMWFPF-ZDUSSCGKSA-N 2 1 242.407 2.218 20 0 BEADMP Cc1ccc(C[N@@H+](C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000036883956 342993333 /nfs/dbraw/zinc/99/33/33/342993333.db2.gz QKXHWYSPTXQCCX-AWEZNQCLSA-N 2 1 218.344 2.164 20 0 BEADMP Cc1ccc(C[N@H+](C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000036883956 342993335 /nfs/dbraw/zinc/99/33/35/342993335.db2.gz QKXHWYSPTXQCCX-AWEZNQCLSA-N 2 1 218.344 2.164 20 0 BEADMP CCCOc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000562748363 323029663 /nfs/dbraw/zinc/02/96/63/323029663.db2.gz JKTBXEZATYBDCJ-VXGBXAGGSA-N 2 1 236.359 2.301 20 0 BEADMP C[C@H](C[N@@H+](C)CCOCC[NH3+])C1CCCCC1 ZINC000384075629 343037990 /nfs/dbraw/zinc/03/79/90/343037990.db2.gz WIJHAECBFDDVHY-CYBMUJFWSA-N 2 1 242.407 2.110 20 0 BEADMP C[N@@H+](CCOCC[NH3+])CC1CCC(C)(C)CC1 ZINC000383625615 362043911 /nfs/dbraw/zinc/04/39/11/362043911.db2.gz WFOGWMQDWBGHRM-UHFFFAOYSA-N 2 1 242.407 2.110 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000120109123 343108723 /nfs/dbraw/zinc/10/87/23/343108723.db2.gz FEGZLYWWVUJZLL-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000120109123 343108724 /nfs/dbraw/zinc/10/87/24/343108724.db2.gz FEGZLYWWVUJZLL-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000120109123 343108725 /nfs/dbraw/zinc/10/87/25/343108725.db2.gz FEGZLYWWVUJZLL-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1F ZINC000131449017 343183770 /nfs/dbraw/zinc/18/37/70/343183770.db2.gz ASAXKAWYBSHHAV-WCQYABFASA-N 2 1 236.334 2.446 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1F ZINC000131449017 343183771 /nfs/dbraw/zinc/18/37/71/343183771.db2.gz ASAXKAWYBSHHAV-WCQYABFASA-N 2 1 236.334 2.446 20 0 BEADMP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000131473985 343183796 /nfs/dbraw/zinc/18/37/96/343183796.db2.gz IYTBJFSIMGWWNY-GXTWGEPZSA-N 2 1 248.370 2.397 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1F ZINC000131531200 343183852 /nfs/dbraw/zinc/18/38/52/343183852.db2.gz HWWKWLHRGQNCAG-AAEUAGOBSA-N 2 1 236.334 2.446 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1F ZINC000131531200 343183855 /nfs/dbraw/zinc/18/38/55/343183855.db2.gz HWWKWLHRGQNCAG-AAEUAGOBSA-N 2 1 236.334 2.446 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000124495465 343162542 /nfs/dbraw/zinc/16/25/42/343162542.db2.gz PXBUIXSKYSTARG-LRDDRELGSA-N 2 1 244.382 2.487 20 0 BEADMP CCCOc1ccc(C[N@@H+](C)CCC[NH3+])cc1 ZINC000133727840 343186215 /nfs/dbraw/zinc/18/62/15/343186215.db2.gz GZOHVNBXTUUEOD-UHFFFAOYSA-N 2 1 236.359 2.256 20 0 BEADMP C[N@H+](CCC[NH3+])Cc1cc(F)cc(Cl)c1 ZINC000168297975 343209904 /nfs/dbraw/zinc/20/99/04/343209904.db2.gz IZKCHWNFXUJWRR-UHFFFAOYSA-N 2 1 230.714 2.260 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1cc(F)cc(Cl)c1 ZINC000168297975 343209907 /nfs/dbraw/zinc/20/99/07/343209907.db2.gz IZKCHWNFXUJWRR-UHFFFAOYSA-N 2 1 230.714 2.260 20 0 BEADMP C[C@H]1C[C@@H]1CN1CCC2(CCC[N@H+]2C)CC1 ZINC000625291169 343223170 /nfs/dbraw/zinc/22/31/70/343223170.db2.gz XSLNPLORXUHXER-QWHCGFSZSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H]1C[C@@H]1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000625291169 343223172 /nfs/dbraw/zinc/22/31/72/343223172.db2.gz XSLNPLORXUHXER-QWHCGFSZSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H]1C[C@@H]1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000625291169 343223174 /nfs/dbraw/zinc/22/31/74/343223174.db2.gz XSLNPLORXUHXER-QWHCGFSZSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC1CCCC1 ZINC000082492422 136276734 /nfs/dbraw/zinc/27/67/34/136276734.db2.gz BUKQTFOEZZWWCK-ZDUSSCGKSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@H]1CCC[N@H+](CC[NH2+]C(C)(C)C)CC1 ZINC000082489063 136276780 /nfs/dbraw/zinc/27/67/80/136276780.db2.gz MKMYYDZMCJRGPU-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H]1CCC[N@@H+](CC[NH2+]C(C)(C)C)CC1 ZINC000082489063 136276781 /nfs/dbraw/zinc/27/67/81/136276781.db2.gz MKMYYDZMCJRGPU-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CC(C)c1[nH+]ccn1CCC1CC[NH2+]CC1 ZINC000034462426 343271678 /nfs/dbraw/zinc/27/16/78/343271678.db2.gz DTTDVWONUZAPFX-UHFFFAOYSA-N 2 1 221.348 2.396 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000348757858 136297100 /nfs/dbraw/zinc/29/71/00/136297100.db2.gz YTHULJPEYOBXPF-CYBMUJFWSA-N 2 1 236.334 2.039 20 0 BEADMP C[C@H](Cc1cccs1)[NH2+]C1CC[NH+](C)CC1 ZINC000036992632 343329478 /nfs/dbraw/zinc/32/94/78/343329478.db2.gz VPSLEYOZILUVFG-LLVKDONJSA-N 2 1 238.400 2.363 20 0 BEADMP C[C@@H](Cc1cccs1)[NH2+]C1CC[NH+](C)CC1 ZINC000036992631 343329489 /nfs/dbraw/zinc/32/94/89/343329489.db2.gz VPSLEYOZILUVFG-NSHDSACASA-N 2 1 238.400 2.363 20 0 BEADMP CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)C(C)(C)C ZINC000584061422 343309949 /nfs/dbraw/zinc/30/99/49/343309949.db2.gz KUHSWGITAFUXMT-OLZOCXBDSA-N 2 1 244.423 2.103 20 0 BEADMP CCOc1ccccc1C[NH2+]C1CCN(C)CC1 ZINC000037248626 343340903 /nfs/dbraw/zinc/34/09/03/343340903.db2.gz KYCNEDIGQVEFJX-UHFFFAOYSA-N 2 1 248.370 2.269 20 0 BEADMP CCOc1cccc(C[NH2+]C2CC[NH+](C)CC2)c1 ZINC000037678524 343350836 /nfs/dbraw/zinc/35/08/36/343350836.db2.gz ZHRWLWBWPPOIJR-UHFFFAOYSA-N 2 1 248.370 2.269 20 0 BEADMP Cn1ccnc1CNc1cc2c(cn1)CCCC2 ZINC000335659473 136307722 /nfs/dbraw/zinc/30/77/22/136307722.db2.gz KMBAPVSXKIMOLO-UHFFFAOYSA-N 2 1 242.326 2.306 20 0 BEADMP Cc1c[nH+]ccc1N1CCC2(CCC[N@@H+]2C)CC1 ZINC000335679984 136320263 /nfs/dbraw/zinc/32/02/63/136320263.db2.gz FIKAMWHKHWMUGQ-UHFFFAOYSA-N 2 1 245.370 2.455 20 0 BEADMP CC[NH+]1CCC([NH2+]C2CC(OC(C)C)C2)CC1 ZINC000349379115 136343652 /nfs/dbraw/zinc/34/36/52/136343652.db2.gz NDQLPXNPIDCIMQ-UHFFFAOYSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@H](F)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000335703331 136334683 /nfs/dbraw/zinc/33/46/83/136334683.db2.gz PKQNPWYJOSQWBM-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP CC[C@H](F)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000335703331 136334684 /nfs/dbraw/zinc/33/46/84/136334684.db2.gz PKQNPWYJOSQWBM-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP CC[C@H](F)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000335703331 136334685 /nfs/dbraw/zinc/33/46/85/136334685.db2.gz PKQNPWYJOSQWBM-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP CC[C@H](F)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000335703331 136334686 /nfs/dbraw/zinc/33/46/86/136334686.db2.gz PKQNPWYJOSQWBM-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP [NH3+]CC[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000084011089 343513907 /nfs/dbraw/zinc/51/39/07/343513907.db2.gz BYKQEZWZVVQPSD-AWEZNQCLSA-N 2 1 218.344 2.042 20 0 BEADMP [NH3+]CC[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000084011089 343513908 /nfs/dbraw/zinc/51/39/08/343513908.db2.gz BYKQEZWZVVQPSD-AWEZNQCLSA-N 2 1 218.344 2.042 20 0 BEADMP C[N@@H+](CC1CCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000083839912 343504322 /nfs/dbraw/zinc/50/43/22/343504322.db2.gz BEEXTUSKVKEMSY-FUNVUKJBSA-N 2 1 208.349 2.001 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+]CC2(C)CC2)C1 ZINC000379974361 365770627 /nfs/dbraw/zinc/77/06/27/365770627.db2.gz CTADPKYEGWMQNE-GFCCVEGCSA-N 2 1 210.365 2.108 20 0 BEADMP CCc1nc(NC[C@@H]2CCC[N@H+](C)C2)cc(C)[nH+]1 ZINC000310761758 343567972 /nfs/dbraw/zinc/56/79/72/343567972.db2.gz LJRJGBKAAMUYCF-LBPRGKRZSA-N 2 1 248.374 2.101 20 0 BEADMP CCc1nc(NC[C@@H]2CCC[N@@H+](C)C2)cc(C)[nH+]1 ZINC000310761758 343567974 /nfs/dbraw/zinc/56/79/74/343567974.db2.gz LJRJGBKAAMUYCF-LBPRGKRZSA-N 2 1 248.374 2.101 20 0 BEADMP CC[C@@H]1C[N@@H+](CCC2CCC2)CC[C@@H]1[NH3+] ZINC000398751678 488223835 /nfs/dbraw/zinc/22/38/35/488223835.db2.gz BYSHWFOIHCZORA-OLZOCXBDSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000049553267 343602351 /nfs/dbraw/zinc/60/23/51/343602351.db2.gz FHFNWJOBFRHBGR-RYUDHWBXSA-N 2 1 236.359 2.383 20 0 BEADMP C[C@@H]([N@@H+](C)CC1CC[NH2+]CC1)C1(C)CC1 ZINC000087365096 343645436 /nfs/dbraw/zinc/64/54/36/343645436.db2.gz XOICYZCTNLUBCX-LLVKDONJSA-N 2 1 210.365 2.106 20 0 BEADMP CC1(C)CCC[C@@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000576804881 343758919 /nfs/dbraw/zinc/75/89/19/343758919.db2.gz AIJPGQHXPQBVEY-MCIONIFRSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)[C@H]1CC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336665063 537815951 /nfs/dbraw/zinc/81/59/51/537815951.db2.gz LKBNVBQAPVKWGX-ZIAGYGMSSA-N 2 1 222.376 2.273 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@H]2CCCC2(C)C)CC1 ZINC000336511541 346981327 /nfs/dbraw/zinc/98/13/27/346981327.db2.gz BYQYPNSBMLQVHQ-GFCCVEGCSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]CC2(C)CCC2)C1 ZINC000336683338 537823936 /nfs/dbraw/zinc/82/39/36/537823936.db2.gz JWCCTHOVFKOZFR-GFCCVEGCSA-N 2 1 210.365 2.108 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000336707811 537828676 /nfs/dbraw/zinc/82/86/76/537828676.db2.gz RXVZRDDFBLHKFJ-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP CCc1ccc(C[NH2+]CCc2c[nH+]cn2C)s1 ZINC000401875175 343924783 /nfs/dbraw/zinc/92/47/83/343924783.db2.gz NAVDOKCCWGUWKY-UHFFFAOYSA-N 2 1 249.383 2.376 20 0 BEADMP C[N@@H+]1CCC[C@@H]1CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777902 344072178 /nfs/dbraw/zinc/07/21/78/344072178.db2.gz KTYGKAXAHOKFQE-UPJWGTAASA-N 2 1 240.416 2.051 20 0 BEADMP C[N@H+]1CCC[C@@H]1CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777902 344072181 /nfs/dbraw/zinc/07/21/81/344072181.db2.gz KTYGKAXAHOKFQE-UPJWGTAASA-N 2 1 240.416 2.051 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)nc1 ZINC000634732478 344107794 /nfs/dbraw/zinc/10/77/94/344107794.db2.gz HKPANHLDLBDLPP-ZDUSSCGKSA-N 2 1 247.386 2.258 20 0 BEADMP CCC[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)OC ZINC000395209461 362348073 /nfs/dbraw/zinc/34/80/73/362348073.db2.gz UYAVHCMSMASGMU-KBPBESRZSA-N 2 1 242.407 2.121 20 0 BEADMP C[N@@H+](C[C@@H]1CCSC1)CC1CC[NH+](C)CC1 ZINC000494980900 529956939 /nfs/dbraw/zinc/95/69/39/529956939.db2.gz PVYSBCJVSOJFPJ-ZDUSSCGKSA-N 2 1 242.432 2.013 20 0 BEADMP C(C[NH+](C1CC1)C1CC1)C[NH+]1CCCCC1 ZINC000625842602 344093563 /nfs/dbraw/zinc/09/35/63/344093563.db2.gz LEDNLCMLQFMQAD-UHFFFAOYSA-N 2 1 222.376 2.489 20 0 BEADMP Cc1cccc(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000130739153 344225137 /nfs/dbraw/zinc/22/51/37/344225137.db2.gz SWWCGZJOQRVZFE-HOCLYGCPSA-N 2 1 246.398 2.467 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC=CCC2)[C@@H](C)C1 ZINC000228205939 259374803 /nfs/dbraw/zinc/37/48/03/259374803.db2.gz PQEQXRXDTAPIBQ-IHRRRGAJSA-N 2 1 222.376 2.415 20 0 BEADMP c1c[nH]c([C@@H]2CCC[N@H+](Cc3cncs3)C2)n1 ZINC000092071726 344288170 /nfs/dbraw/zinc/28/81/70/344288170.db2.gz GHOOESURNYMXJM-SNVBAGLBSA-N 2 1 248.355 2.246 20 0 BEADMP CC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000132242336 344289928 /nfs/dbraw/zinc/28/99/28/344289928.db2.gz RPTZXAJZMPXLAZ-WCQYABFASA-N 2 1 210.365 2.249 20 0 BEADMP C[N@@H+](C[C@H]1CCSC1)CC1CC[NH+](C)CC1 ZINC000494980899 529972426 /nfs/dbraw/zinc/97/24/26/529972426.db2.gz PVYSBCJVSOJFPJ-CYBMUJFWSA-N 2 1 242.432 2.013 20 0 BEADMP C[C@H]1C[C@@H](N)C[N@H+]1CCCCC1CCOCC1 ZINC000385204666 344376270 /nfs/dbraw/zinc/37/62/70/344376270.db2.gz CABAKJKJDDDKEM-GXTWGEPZSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCCCC1CCOCC1 ZINC000385204666 344376271 /nfs/dbraw/zinc/37/62/71/344376271.db2.gz CABAKJKJDDDKEM-GXTWGEPZSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCCCC1CCOCC1 ZINC000385204666 344376273 /nfs/dbraw/zinc/37/62/73/344376273.db2.gz CABAKJKJDDDKEM-GXTWGEPZSA-N 2 1 240.391 2.005 20 0 BEADMP CCCC[N@H+](CC)CC[NH2+]C(C)(C)C ZINC000042302533 344450086 /nfs/dbraw/zinc/45/00/86/344450086.db2.gz BHGLOBDFIRVZJH-UHFFFAOYSA-N 2 1 200.370 2.497 20 0 BEADMP CCCC[N@@H+](CC)CC[NH2+]C(C)(C)C ZINC000042302533 344450088 /nfs/dbraw/zinc/45/00/88/344450088.db2.gz BHGLOBDFIRVZJH-UHFFFAOYSA-N 2 1 200.370 2.497 20 0 BEADMP CC(C)C[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000042559856 344458294 /nfs/dbraw/zinc/45/82/94/344458294.db2.gz SNXZUDOSNNJVCD-UHFFFAOYSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1[nH+]ccn1CCCCSCC[NH+](C)C ZINC000158172801 323072286 /nfs/dbraw/zinc/07/22/86/323072286.db2.gz VQFYPCGYUQEHLD-UHFFFAOYSA-N 2 1 241.404 2.267 20 0 BEADMP CCCCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152385315 344532930 /nfs/dbraw/zinc/53/29/30/344532930.db2.gz AVIJWZXFOHUYMN-CYBMUJFWSA-N 2 1 212.381 2.450 20 0 BEADMP CCCCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152385315 344532931 /nfs/dbraw/zinc/53/29/31/344532931.db2.gz AVIJWZXFOHUYMN-CYBMUJFWSA-N 2 1 212.381 2.450 20 0 BEADMP CCCCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152385315 344532933 /nfs/dbraw/zinc/53/29/33/344532933.db2.gz AVIJWZXFOHUYMN-CYBMUJFWSA-N 2 1 212.381 2.450 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000336782619 537852649 /nfs/dbraw/zinc/85/26/49/537852649.db2.gz YFWQRDMPWPRRMZ-FPMFFAJLSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1sc(C)nc1C ZINC000049538808 344651914 /nfs/dbraw/zinc/65/19/14/344651914.db2.gz UIFOANBBALSIHK-GMSGAONNSA-N 2 1 227.377 2.148 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000382048202 347078392 /nfs/dbraw/zinc/07/83/92/347078392.db2.gz BDNJXNJFCWFHCZ-RQJABVFESA-N 2 1 224.392 2.495 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@]2(C)CCCS2)C1 ZINC000628174021 344894511 /nfs/dbraw/zinc/89/45/11/344894511.db2.gz UJQKNQIQNIRSLT-QWHCGFSZSA-N 2 1 242.432 2.156 20 0 BEADMP CCc1nc(NCC[N@H+](C)C(C)C)cc(C)[nH+]1 ZINC000306004359 344954422 /nfs/dbraw/zinc/95/44/22/344954422.db2.gz HEQUYPIKIYAIFT-UHFFFAOYSA-N 2 1 236.363 2.100 20 0 BEADMP CCc1nc(NCC[N@@H+](C)C(C)C)cc(C)[nH+]1 ZINC000306004359 344954423 /nfs/dbraw/zinc/95/44/23/344954423.db2.gz HEQUYPIKIYAIFT-UHFFFAOYSA-N 2 1 236.363 2.100 20 0 BEADMP C[C@H]1CC[C@]2(CC[N@@H+](CC34CC(C3)C[NH2+]4)C2)C1 ZINC000634993344 345189977 /nfs/dbraw/zinc/18/99/77/345189977.db2.gz RGXBIWJSOMYDSP-LQULJDIASA-N 2 1 234.387 2.251 20 0 BEADMP C[C@@H]1C[C@H](C)CC[N@H+](CC23CC(C2)CN3)C1 ZINC000634993577 345190648 /nfs/dbraw/zinc/19/06/48/345190648.db2.gz YOOQFVKJAXRWSI-IWMBGFJWSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@@H]1C[C@H](C)CC[N@@H+](CC23CC(C2)CN3)C1 ZINC000634993577 345190650 /nfs/dbraw/zinc/19/06/50/345190650.db2.gz YOOQFVKJAXRWSI-IWMBGFJWSA-N 2 1 222.376 2.106 20 0 BEADMP C([N@@H+]1CCCC[C@H]1C1CCC1)C12CC(C1)CN2 ZINC000634996680 345191131 /nfs/dbraw/zinc/19/11/31/345191131.db2.gz QNTMBJFXOKGISA-BLZCZZARSA-N 2 1 234.387 2.393 20 0 BEADMP C([N@H+]1CCCC[C@H]1C1CCC1)C12CC(C1)CN2 ZINC000634996680 345191132 /nfs/dbraw/zinc/19/11/32/345191132.db2.gz QNTMBJFXOKGISA-BLZCZZARSA-N 2 1 234.387 2.393 20 0 BEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000635024327 345224759 /nfs/dbraw/zinc/22/47/59/345224759.db2.gz WLOHBQLNPJQIOG-UONOGXRCSA-N 2 1 241.338 2.204 20 0 BEADMP CCOc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000634999847 345201294 /nfs/dbraw/zinc/20/12/94/345201294.db2.gz AQURBSVDWVUSQA-GXTWGEPZSA-N 2 1 248.370 2.112 20 0 BEADMP C[C@H](CC1CCC1)[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000635001787 345201368 /nfs/dbraw/zinc/20/13/68/345201368.db2.gz FYULFGKGFONEHK-LOWVWBTDSA-N 2 1 210.365 2.153 20 0 BEADMP CCSCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158467771 345336158 /nfs/dbraw/zinc/33/61/58/345336158.db2.gz CATCVZCDHXHIPW-OLZOCXBDSA-N 2 1 242.432 2.156 20 0 BEADMP CCSCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158467618 345336264 /nfs/dbraw/zinc/33/62/64/345336264.db2.gz CATCVZCDHXHIPW-CHWSQXEVSA-N 2 1 242.432 2.156 20 0 BEADMP CN(CC[NH+](C)C)c1cc[nH+]c2ccsc21 ZINC000080685217 345431326 /nfs/dbraw/zinc/43/13/26/345431326.db2.gz XQOFMBVFUILIAJ-UHFFFAOYSA-N 2 1 235.356 2.294 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081636373 345488612 /nfs/dbraw/zinc/48/86/12/345488612.db2.gz AKYXCMLBQAYLRP-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP CCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000081636373 345488614 /nfs/dbraw/zinc/48/86/14/345488614.db2.gz AKYXCMLBQAYLRP-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP CCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000081636373 345488616 /nfs/dbraw/zinc/48/86/16/345488616.db2.gz AKYXCMLBQAYLRP-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP CC(C)CC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000070558207 345775917 /nfs/dbraw/zinc/77/59/17/345775917.db2.gz ORHMCTIBYHIBRI-CYBMUJFWSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000070558207 345775920 /nfs/dbraw/zinc/77/59/20/345775920.db2.gz ORHMCTIBYHIBRI-CYBMUJFWSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2C[C@@H](C)[C@@H]2C)C1 ZINC000381498343 346156901 /nfs/dbraw/zinc/15/69/01/346156901.db2.gz CEISMJMZVDSYLE-RFGFWPKPSA-N 2 1 224.392 2.351 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccnc2ccccc12 ZINC000577079242 365808009 /nfs/dbraw/zinc/80/80/09/365808009.db2.gz IVAAPRNUIIXZHS-QWRGUYRKSA-N 2 1 229.327 2.060 20 0 BEADMP C[C@H](C[NH2+]C1CC[NH+](C)CC1)C(C)(C)C ZINC000147663544 537956819 /nfs/dbraw/zinc/95/68/19/537956819.db2.gz SXDKTMGVDSKODO-LLVKDONJSA-N 2 1 212.381 2.352 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000163214777 179034928 /nfs/dbraw/zinc/03/49/28/179034928.db2.gz IPURWBODKIZTEQ-ZIAGYGMSSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000226422244 179035117 /nfs/dbraw/zinc/03/51/17/179035117.db2.gz CHZDBOHGPLXYHG-DZGCQCFKSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000130891193 179035701 /nfs/dbraw/zinc/03/57/01/179035701.db2.gz CHZDBOHGPLXYHG-HIFRSBDPSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1cccc(C)c1C[NH2+]CC1([NH3+])CCC1 ZINC000342088747 179036966 /nfs/dbraw/zinc/03/69/66/179036966.db2.gz AINVUJMSZOVGRG-UHFFFAOYSA-N 2 1 218.344 2.274 20 0 BEADMP C[C@H](CC1CC1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000069662176 349952662 /nfs/dbraw/zinc/95/26/62/349952662.db2.gz UXGRXJAZNSKQMP-DGCLKSJQSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H](CC1CC1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000069662170 349952725 /nfs/dbraw/zinc/95/27/25/349952725.db2.gz UXGRXJAZNSKQMP-YPMHNXCESA-N 2 1 210.365 2.106 20 0 BEADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000358102290 179060359 /nfs/dbraw/zinc/06/03/59/179060359.db2.gz SWWCGZJOQRVZFE-GDBMZVCRSA-N 2 1 246.398 2.467 20 0 BEADMP Cc1cccc(C[N@@H+](C)CC2CC[NH2+]CC2)c1 ZINC000042435894 179064462 /nfs/dbraw/zinc/06/44/62/179064462.db2.gz YOHUDHVQMLIDFE-UHFFFAOYSA-N 2 1 232.371 2.426 20 0 BEADMP CC[N@@H+](CC(C)C)C[C@@H]1CCCC[NH2+]C1 ZINC000669379130 537975483 /nfs/dbraw/zinc/97/54/83/537975483.db2.gz SXGIUQIZMWBNFK-CYBMUJFWSA-N 2 1 212.381 2.354 20 0 BEADMP Cc1cccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000122344790 179084831 /nfs/dbraw/zinc/08/48/31/179084831.db2.gz UKQFXGDBFGXMLS-JSGCOSHPSA-N 2 1 218.344 2.164 20 0 BEADMP C[C@@H]1CCC(C)(C)[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000641801052 362752857 /nfs/dbraw/zinc/75/28/57/362752857.db2.gz LYCMVCPFFJSVAM-NEPJUHHUSA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@H](C)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000580211796 346684701 /nfs/dbraw/zinc/68/47/01/346684701.db2.gz JRYRTROLTPEAIO-WDEREUQCSA-N 2 1 207.321 2.008 20 0 BEADMP CC[C@@H](C)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000580211794 346685330 /nfs/dbraw/zinc/68/53/30/346685330.db2.gz JRYRTROLTPEAIO-MNOVXSKESA-N 2 1 207.321 2.008 20 0 BEADMP Cc1cccc(NCCNc2cc[nH+]c(C)c2)[nH+]1 ZINC000357707710 179144911 /nfs/dbraw/zinc/14/49/11/179144911.db2.gz NATUBBJJOGHMCB-UHFFFAOYSA-N 2 1 242.326 2.039 20 0 BEADMP Cc1cccc(N[C@H](C)CC[NH+](C)C)[nH+]1 ZINC000049558648 179155927 /nfs/dbraw/zinc/15/59/27/179155927.db2.gz WLNMLGDRXLZMBD-LLVKDONJSA-N 2 1 207.321 2.142 20 0 BEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccoc1 ZINC000381733178 346772337 /nfs/dbraw/zinc/77/23/37/346772337.db2.gz NXAUZMSYLNCZBB-NSHDSACASA-N 2 1 220.316 2.192 20 0 BEADMP Cc1cccc(OCC[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000011888576 179165438 /nfs/dbraw/zinc/16/54/38/179165438.db2.gz BHWFXGULFDAUQU-AWEZNQCLSA-N 2 1 248.370 2.045 20 0 BEADMP Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000019843383 179271780 /nfs/dbraw/zinc/27/17/80/179271780.db2.gz FTBRAASIOQVPDK-CQSZACIVSA-N 2 1 218.344 2.308 20 0 BEADMP Cc1ccccc1C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000019843383 179271781 /nfs/dbraw/zinc/27/17/81/179271781.db2.gz FTBRAASIOQVPDK-CQSZACIVSA-N 2 1 218.344 2.308 20 0 BEADMP Cc1ccccc1C[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000051890030 179270010 /nfs/dbraw/zinc/27/00/10/179270010.db2.gz FROQAXUHRNBWRW-ZDUSSCGKSA-N 2 1 218.344 2.036 20 0 BEADMP Cc1ccccc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000172196753 179275858 /nfs/dbraw/zinc/27/58/58/179275858.db2.gz CLAZIRNDKZUPEC-CQSZACIVSA-N 2 1 232.371 2.379 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)C2CC2)C1 ZINC000151137390 192371165 /nfs/dbraw/zinc/37/11/65/192371165.db2.gz ZWAFCOFRNMHMNP-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@@H+](CCC1CCC1)C[C@H]1CCC[NH+](C)C1 ZINC000659949755 490113099 /nfs/dbraw/zinc/11/30/99/490113099.db2.gz VYSQWASIBDEMAI-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH+](CCC1CCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000659949755 490113106 /nfs/dbraw/zinc/11/31/06/490113106.db2.gz VYSQWASIBDEMAI-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH+](CCC1CCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000659949755 490113115 /nfs/dbraw/zinc/11/31/15/490113115.db2.gz VYSQWASIBDEMAI-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H](C)[NH3+] ZINC000336405943 179327382 /nfs/dbraw/zinc/32/73/82/179327382.db2.gz DSLRHJMTZVLHKH-JSGCOSHPSA-N 2 1 218.344 2.479 20 0 BEADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CC[NH3+])C1 ZINC000083008560 179332253 /nfs/dbraw/zinc/33/22/53/179332253.db2.gz KLBOPDPJDZOBBV-QWHCGFSZSA-N 2 1 218.344 2.132 20 0 BEADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CC[NH3+])C1 ZINC000083008560 179332256 /nfs/dbraw/zinc/33/22/56/179332256.db2.gz KLBOPDPJDZOBBV-QWHCGFSZSA-N 2 1 218.344 2.132 20 0 BEADMP CC[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000054466859 348020245 /nfs/dbraw/zinc/02/02/45/348020245.db2.gz HNSQLEUDVURXFO-WODVXLOZSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H](CSCCF)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000595011410 348163267 /nfs/dbraw/zinc/16/32/67/348163267.db2.gz DQSVNXMWCQQOOM-CMPLNLGQSA-N 2 1 248.411 2.007 20 0 BEADMP CSCCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595507812 348264987 /nfs/dbraw/zinc/26/49/87/348264987.db2.gz RGWAJMUGHTWVDK-CYBMUJFWSA-N 2 1 242.432 2.157 20 0 BEADMP CSCCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595507812 348264990 /nfs/dbraw/zinc/26/49/90/348264990.db2.gz RGWAJMUGHTWVDK-CYBMUJFWSA-N 2 1 242.432 2.157 20 0 BEADMP CSCCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595507812 348264992 /nfs/dbraw/zinc/26/49/92/348264992.db2.gz RGWAJMUGHTWVDK-CYBMUJFWSA-N 2 1 242.432 2.157 20 0 BEADMP CCSCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595508854 348265085 /nfs/dbraw/zinc/26/50/85/348265085.db2.gz YVXCRVKBVZAPEO-CYBMUJFWSA-N 2 1 242.432 2.157 20 0 BEADMP CCSCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595508854 348265088 /nfs/dbraw/zinc/26/50/88/348265088.db2.gz YVXCRVKBVZAPEO-CYBMUJFWSA-N 2 1 242.432 2.157 20 0 BEADMP CCSCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595508854 348265089 /nfs/dbraw/zinc/26/50/89/348265089.db2.gz YVXCRVKBVZAPEO-CYBMUJFWSA-N 2 1 242.432 2.157 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCOCC2)CC1(C)C ZINC000623484838 362909006 /nfs/dbraw/zinc/90/90/06/362909006.db2.gz DKNBOTCNWXWLQW-OLZOCXBDSA-N 2 1 240.391 2.018 20 0 BEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCS1 ZINC000128074370 187395608 /nfs/dbraw/zinc/39/56/08/187395608.db2.gz RUXARMORPGJVPC-XQQFMLRXSA-N 2 1 240.416 2.098 20 0 BEADMP CCc1ccc(CNC[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000051724954 323190807 /nfs/dbraw/zinc/19/08/07/323190807.db2.gz NLYRHVPBKINLCC-LBPRGKRZSA-N 2 1 236.359 2.273 20 0 BEADMP CSCC1(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000596648917 348604196 /nfs/dbraw/zinc/60/41/96/348604196.db2.gz BEDKRMVTBSPVCF-RYUDHWBXSA-N 2 1 242.432 2.107 20 0 BEADMP C[C@@H]1CC([NH2+]C2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000082829740 348821367 /nfs/dbraw/zinc/82/13/67/348821367.db2.gz QRTSFKYXOJNPDP-RYUDHWBXSA-N 2 1 224.392 2.495 20 0 BEADMP CCC(CC)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250372699 535083579 /nfs/dbraw/zinc/08/35/79/535083579.db2.gz AMBGMZFHRRFJPT-STQMWFEESA-N 2 1 210.365 2.391 20 0 BEADMP CSC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000598965329 349068885 /nfs/dbraw/zinc/06/88/85/349068885.db2.gz XZFGIMGPBLHBSB-WDEREUQCSA-N 2 1 230.421 2.200 20 0 BEADMP C[C@H](C[NH2+][C@@H](C)c1ccoc1)C[NH+](C)C ZINC000308905131 349061885 /nfs/dbraw/zinc/06/18/85/349061885.db2.gz LETLHIWWRHCYSW-MNOVXSKESA-N 2 1 210.321 2.128 20 0 BEADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)CC)C1 ZINC000248375589 349126881 /nfs/dbraw/zinc/12/68/81/349126881.db2.gz XFYATVOPTXIIJU-CHWSQXEVSA-N 2 1 212.381 2.449 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)CC)C1 ZINC000248375589 349126884 /nfs/dbraw/zinc/12/68/84/349126884.db2.gz XFYATVOPTXIIJU-CHWSQXEVSA-N 2 1 212.381 2.449 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)CC)C1 ZINC000248375589 349126888 /nfs/dbraw/zinc/12/68/88/349126888.db2.gz XFYATVOPTXIIJU-CHWSQXEVSA-N 2 1 212.381 2.449 20 0 BEADMP CC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000421873248 192397860 /nfs/dbraw/zinc/39/78/60/192397860.db2.gz HHIUTPUKYSLNGT-DGAVXFQQSA-N 2 1 224.392 2.495 20 0 BEADMP CCOc1cccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000252687380 349210178 /nfs/dbraw/zinc/21/01/78/349210178.db2.gz LDDBVEJWLULUKB-OCCSQVGLSA-N 2 1 248.370 2.397 20 0 BEADMP CC(C)(C)CCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000300835216 349357651 /nfs/dbraw/zinc/35/76/51/349357651.db2.gz ILTZZZLQAAWTPN-LBPRGKRZSA-N 2 1 212.381 2.483 20 0 BEADMP C[C@H](c1ccncc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000603939454 350056741 /nfs/dbraw/zinc/05/67/41/350056741.db2.gz MDFBZUHXMQTVKY-OLZOCXBDSA-N 2 1 233.359 2.026 20 0 BEADMP C[C@H](c1ccncc1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000603939454 350056744 /nfs/dbraw/zinc/05/67/44/350056744.db2.gz MDFBZUHXMQTVKY-OLZOCXBDSA-N 2 1 233.359 2.026 20 0 BEADMP C[C@@H](CC1CC1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000132373186 191030434 /nfs/dbraw/zinc/03/04/34/191030434.db2.gz GDEZDZOWSQBSIV-WCQYABFASA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC[N@@H+]1C ZINC000304424142 350155529 /nfs/dbraw/zinc/15/55/29/350155529.db2.gz AHHRONQSITVESW-MBJXGIAVSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC[N@H+]1C ZINC000304424142 350155531 /nfs/dbraw/zinc/15/55/31/350155531.db2.gz AHHRONQSITVESW-MBJXGIAVSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cccnc1 ZINC000314980039 350177064 /nfs/dbraw/zinc/17/70/64/350177064.db2.gz XLBXPFYVMGAHDE-LBPRGKRZSA-N 2 1 244.342 2.099 20 0 BEADMP Cc1[nH+]ccn1CCC[NH+]1CCC2(CC2)CC1 ZINC000363459784 180239307 /nfs/dbraw/zinc/23/93/07/180239307.db2.gz RPXDOWFEJUNXNX-UHFFFAOYSA-N 2 1 233.359 2.458 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1C ZINC000336705473 180239386 /nfs/dbraw/zinc/23/93/86/180239386.db2.gz QOGOKNMUFRVSHV-LBPRGKRZSA-N 2 1 221.348 2.456 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1C ZINC000336705473 180239388 /nfs/dbraw/zinc/23/93/88/180239388.db2.gz QOGOKNMUFRVSHV-LBPRGKRZSA-N 2 1 221.348 2.456 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)[C@H]1C ZINC000339570161 180233102 /nfs/dbraw/zinc/23/31/02/180233102.db2.gz QKMLIGCVFMANJA-VXGBXAGGSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)[C@H]1C ZINC000339570161 180233103 /nfs/dbraw/zinc/23/31/03/180233103.db2.gz QKMLIGCVFMANJA-VXGBXAGGSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccn1C ZINC000174453597 180235355 /nfs/dbraw/zinc/23/53/55/180235355.db2.gz BBKGIWCVMMPHIQ-UHFFFAOYSA-N 2 1 246.358 2.100 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H]1C[C@H]1C ZINC000336678451 180237926 /nfs/dbraw/zinc/23/79/26/180237926.db2.gz BRXCKQQGLJUQNF-DGCLKSJQSA-N 2 1 221.348 2.217 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[Si](C)(C)C ZINC000179493308 180238083 /nfs/dbraw/zinc/23/80/83/180238083.db2.gz VBFSHNBLLCAGHC-UHFFFAOYSA-N 2 1 239.439 2.391 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[Si](C)(C)C ZINC000179493308 180238085 /nfs/dbraw/zinc/23/80/85/180238085.db2.gz VBFSHNBLLCAGHC-UHFFFAOYSA-N 2 1 239.439 2.391 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000336691805 180238829 /nfs/dbraw/zinc/23/88/29/180238829.db2.gz CIIKWGOAKQHAPF-NEPJUHHUSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000336691805 180238831 /nfs/dbraw/zinc/23/88/31/180238831.db2.gz CIIKWGOAKQHAPF-NEPJUHHUSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC1(C)C ZINC000336702610 180238868 /nfs/dbraw/zinc/23/88/68/180238868.db2.gz NWBVPBPNKIUGNL-UHFFFAOYSA-N 2 1 221.348 2.456 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC1(C)C ZINC000336702610 180238871 /nfs/dbraw/zinc/23/88/71/180238871.db2.gz NWBVPBPNKIUGNL-UHFFFAOYSA-N 2 1 221.348 2.456 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CC1CC1 ZINC000309791337 180246057 /nfs/dbraw/zinc/24/60/57/180246057.db2.gz ULPMQBUPMJKJGF-NSHDSACASA-N 2 1 221.348 2.360 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C(C)C)C1CCC1 ZINC000336691759 180248001 /nfs/dbraw/zinc/24/80/01/180248001.db2.gz CBWRXOOLOSGVPC-UHFFFAOYSA-N 2 1 221.348 2.454 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C(C)C)C1CCC1 ZINC000336691759 180248002 /nfs/dbraw/zinc/24/80/02/180248002.db2.gz CBWRXOOLOSGVPC-UHFFFAOYSA-N 2 1 221.348 2.454 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)CCc1ccccc1 ZINC000270863595 180249723 /nfs/dbraw/zinc/24/97/23/180249723.db2.gz SHNBCQJOMLPUHU-UHFFFAOYSA-N 2 1 243.354 2.366 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)CCc1ccccc1 ZINC000270863595 180249726 /nfs/dbraw/zinc/24/97/26/180249726.db2.gz SHNBCQJOMLPUHU-UHFFFAOYSA-N 2 1 243.354 2.366 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)c1ccncc1 ZINC000271362440 180252062 /nfs/dbraw/zinc/25/20/62/180252062.db2.gz IVLMJYKRKPJFPI-GFCCVEGCSA-N 2 1 244.342 2.280 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)c1ccncc1 ZINC000271362440 180252065 /nfs/dbraw/zinc/25/20/65/180252065.db2.gz IVLMJYKRKPJFPI-GFCCVEGCSA-N 2 1 244.342 2.280 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1C1CC1 ZINC000371205474 180240222 /nfs/dbraw/zinc/24/02/22/180240222.db2.gz SIZCCAZJUPUCLP-AWEZNQCLSA-N 2 1 233.359 2.456 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1C1CC1 ZINC000371205474 180240225 /nfs/dbraw/zinc/24/02/25/180240225.db2.gz SIZCCAZJUPUCLP-AWEZNQCLSA-N 2 1 233.359 2.456 20 0 BEADMP Cc1[nH+]ccn1CCC[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000336698529 180242230 /nfs/dbraw/zinc/24/22/30/180242230.db2.gz JFQZOXXYJCYKGX-VXGBXAGGSA-N 2 1 221.348 2.169 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000355181592 180242720 /nfs/dbraw/zinc/24/27/20/180242720.db2.gz XZWCTUAJSHPBQV-KGLIPLIRSA-N 2 1 233.359 2.456 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000355181592 180242721 /nfs/dbraw/zinc/24/27/21/180242721.db2.gz XZWCTUAJSHPBQV-KGLIPLIRSA-N 2 1 233.359 2.456 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCSC1 ZINC000309697725 180244096 /nfs/dbraw/zinc/24/40/96/180244096.db2.gz LORSJERRSVLOAX-GFCCVEGCSA-N 2 1 239.388 2.067 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+]C1CC(C)(C)C1 ZINC000336736839 180245351 /nfs/dbraw/zinc/24/53/51/180245351.db2.gz MYKZIADKOQRTSL-UHFFFAOYSA-N 2 1 221.348 2.360 20 0 BEADMP C[C@H](F)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623533115 362952625 /nfs/dbraw/zinc/95/26/25/362952625.db2.gz TXTZGDBRMSKNIH-QWRGUYRKSA-N 2 1 216.344 2.197 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(Cl)o1 ZINC000309219777 180260610 /nfs/dbraw/zinc/26/06/10/180260610.db2.gz QFOBCSHMCBNBJE-UHFFFAOYSA-N 2 1 239.706 2.228 20 0 BEADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623533116 362952688 /nfs/dbraw/zinc/95/26/88/362952688.db2.gz TXTZGDBRMSKNIH-WDEREUQCSA-N 2 1 216.344 2.197 20 0 BEADMP Cc1ncsc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000228290473 180316811 /nfs/dbraw/zinc/31/68/11/180316811.db2.gz MYGYFDWLGYLNFM-ONGXEEELSA-N 2 1 239.388 2.011 20 0 BEADMP CC[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)OC ZINC000623538714 362958754 /nfs/dbraw/zinc/95/87/54/362958754.db2.gz RIBKIFNNWZBMRI-TZMCWYRMSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000227192256 350487435 /nfs/dbraw/zinc/48/74/35/350487435.db2.gz SBYCPPSFAXXGGB-RQJABVFESA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000227192256 350487439 /nfs/dbraw/zinc/48/74/39/350487439.db2.gz SBYCPPSFAXXGGB-RQJABVFESA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300802355 490568970 /nfs/dbraw/zinc/56/89/70/490568970.db2.gz DCTPNDQNNGXZQK-QWRGUYRKSA-N 2 1 232.318 2.093 20 0 BEADMP C[C@@H]1CC[N@@H+](CCC[NH3+])[C@@H]2CCCC[C@@H]12 ZINC000577481857 365964207 /nfs/dbraw/zinc/96/42/07/365964207.db2.gz GGONNHQUKJXBBT-FRRDWIJNSA-N 2 1 210.365 2.236 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)CC1(C)C ZINC000623542613 362961202 /nfs/dbraw/zinc/96/12/02/362961202.db2.gz LGTQWMYNLAJUPW-IHRRRGAJSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)O1 ZINC000623545187 362964937 /nfs/dbraw/zinc/96/49/37/362964937.db2.gz AAXAGOUQTLARPD-JHJVBQTASA-N 2 1 240.391 2.016 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428029321 191109452 /nfs/dbraw/zinc/10/94/52/191109452.db2.gz ABSCJAUJNRPTGF-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP COCC[C@@H](C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623548950 362969352 /nfs/dbraw/zinc/96/93/52/362969352.db2.gz KAYCSAXXVSPELE-OLZOCXBDSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1C ZINC000231443683 350624476 /nfs/dbraw/zinc/62/44/76/350624476.db2.gz ARGMJVRECRQJAU-RYUDHWBXSA-N 2 1 206.333 2.383 20 0 BEADMP Cc1ccc(C[NH2+]CC2([NH3+])CCC2)s1 ZINC000088052075 351540456 /nfs/dbraw/zinc/54/04/56/351540456.db2.gz JMVLFIYCDCCXHG-UHFFFAOYSA-N 2 1 210.346 2.028 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]CC2CC=CC2)CC1(C)C ZINC000623612615 363051965 /nfs/dbraw/zinc/05/19/65/363051965.db2.gz BERBWRLFVGNGJG-CYBMUJFWSA-N 2 1 222.376 2.415 20 0 BEADMP Cc1ccc2cc[nH+]c(NCC[C@@H](C)[NH3+])c2c1 ZINC000577729944 366045740 /nfs/dbraw/zinc/04/57/40/366045740.db2.gz FECYPKUCTAGSHW-LLVKDONJSA-N 2 1 229.327 2.114 20 0 BEADMP CCNCC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000414854717 351905708 /nfs/dbraw/zinc/90/57/08/351905708.db2.gz ZWUHDQWRYYQBTI-CYBMUJFWSA-N 2 1 220.360 2.379 20 0 BEADMP CC[NH2+]CC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000414854717 351905711 /nfs/dbraw/zinc/90/57/11/351905711.db2.gz ZWUHDQWRYYQBTI-CYBMUJFWSA-N 2 1 220.360 2.379 20 0 BEADMP CCC[N@@H+](CC1CCC1)C1CC[NH2+]CC1 ZINC000083839902 351957181 /nfs/dbraw/zinc/95/71/81/351957181.db2.gz KROPPIDWOMRNKJ-UHFFFAOYSA-N 2 1 210.365 2.251 20 0 BEADMP CC[C@H](C)[C@@H](C[NH2+]CCC[N@@H+](C)C(C)C)OC ZINC000638337034 352155437 /nfs/dbraw/zinc/15/54/37/352155437.db2.gz BOUGLVCJNMSXDN-UONOGXRCSA-N 2 1 244.423 2.367 20 0 BEADMP CC[C@H](C[NH2+]CCC[C@@H]1CCO1)[NH+]1CCCC1 ZINC000638354463 352169295 /nfs/dbraw/zinc/16/92/95/352169295.db2.gz NRNOMJCFPPTERE-ZIAGYGMSSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@H](c1ccccc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000212584109 363118984 /nfs/dbraw/zinc/11/89/84/363118984.db2.gz WSZJTFIYZKVUHL-BEAPCOKYSA-N 2 1 230.355 2.417 20 0 BEADMP CCC[C@H](C[NH2+]C[C@@H]1CC[N@@H+](CCC)C1)OC ZINC000638410037 352217523 /nfs/dbraw/zinc/21/75/23/352217523.db2.gz TYLJAJMWWOJSKD-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CC(C)[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178973771 535176372 /nfs/dbraw/zinc/17/63/72/535176372.db2.gz UVKOWESIIKSBQR-CQSZACIVSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1ccc(CC[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000638589801 352420871 /nfs/dbraw/zinc/42/08/71/352420871.db2.gz YUSQGFPGBTYZDM-INIZCTEOSA-N 2 1 246.398 2.469 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2C)[C@H](C)C1 ZINC000607956978 352468295 /nfs/dbraw/zinc/46/82/95/352468295.db2.gz CGHGZJKJCROMMM-DOMZBBRYSA-N 2 1 247.386 2.210 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccnc2C)[C@H](C)C1 ZINC000607956978 352468298 /nfs/dbraw/zinc/46/82/98/352468298.db2.gz CGHGZJKJCROMMM-DOMZBBRYSA-N 2 1 247.386 2.210 20 0 BEADMP Cc1ccc(C)c(C[NH2+][C@@H](C)[C@H](C)[NH3+])c1 ZINC000415011575 352546704 /nfs/dbraw/zinc/54/67/04/352546704.db2.gz QSYFVPQXSFYGIO-RYUDHWBXSA-N 2 1 206.333 2.129 20 0 BEADMP Cc1ccc2cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])ccc2n1 ZINC000415014128 352550584 /nfs/dbraw/zinc/55/05/84/352550584.db2.gz LHZQWYKCAWJLGW-NEPJUHHUSA-N 2 1 243.354 2.369 20 0 BEADMP C[N@@H+](CC1CCCCC1)CC1CC[NH2+]CC1 ZINC000042495606 352622092 /nfs/dbraw/zinc/62/20/92/352622092.db2.gz RBTRBMZOEPVUSC-UHFFFAOYSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)C1CCCC1 ZINC000334192766 352784407 /nfs/dbraw/zinc/78/44/07/352784407.db2.gz JQFCCRBHAUPEAK-CMPLNLGQSA-N 2 1 233.359 2.435 20 0 BEADMP C[C@@H]1CN(c2ccncc2Cl)[C@@H](C)C[N@@H+]1C ZINC000334237195 352855585 /nfs/dbraw/zinc/85/55/85/352855585.db2.gz LVCFBGYLRHATNQ-ZJUUUORDSA-N 2 1 239.750 2.264 20 0 BEADMP C[C@@H]1CN(c2ccncc2Cl)[C@@H](C)C[N@H+]1C ZINC000334237195 352855587 /nfs/dbraw/zinc/85/55/87/352855587.db2.gz LVCFBGYLRHATNQ-ZJUUUORDSA-N 2 1 239.750 2.264 20 0 BEADMP C[N@H+]1CCCC12CCN(Cc1cccnc1)CC2 ZINC000334243049 352831257 /nfs/dbraw/zinc/83/12/57/352831257.db2.gz QYUNNVZEFPDOOW-UHFFFAOYSA-N 2 1 245.370 2.142 20 0 BEADMP CCC([NH3+])(CC)C[NH2+]Cc1cccs1 ZINC000086814440 535194188 /nfs/dbraw/zinc/19/41/88/535194188.db2.gz CTJNNIDFLVXWRY-UHFFFAOYSA-N 2 1 212.362 2.355 20 0 BEADMP CC(C)([NH3+])C[N@H+]1CCCC2(CCCC2)C1 ZINC000261582003 535198597 /nfs/dbraw/zinc/19/85/97/535198597.db2.gz NXRSFUFXMMVTEB-UHFFFAOYSA-N 2 1 210.365 2.380 20 0 BEADMP C(C1CCCC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335269668 188161606 /nfs/dbraw/zinc/16/16/06/188161606.db2.gz MJCDWBLOTQAXSL-OKILXGFUSA-N 2 1 222.376 2.108 20 0 BEADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000251323723 188221573 /nfs/dbraw/zinc/22/15/73/188221573.db2.gz OKPGHPGGXNNHFU-MCIONIFRSA-N 2 1 222.376 2.251 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2CCC2)C1 ZINC000336768281 353279304 /nfs/dbraw/zinc/27/93/04/353279304.db2.gz QSIOFSOHALNVRB-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000084517995 538114475 /nfs/dbraw/zinc/11/44/75/538114475.db2.gz DKAIZHSQHYUKNW-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP CC1(C)C[N@@H+](CCC2CC[NH2+]CC2)CCS1 ZINC000133359429 353414710 /nfs/dbraw/zinc/41/47/10/353414710.db2.gz NCMMWPGIYZOMLW-UHFFFAOYSA-N 2 1 242.432 2.204 20 0 BEADMP [NH3+][C@@H](C[NH2+][C@H](c1cccnc1)C1CCC1)C1CC1 ZINC000571669588 353493160 /nfs/dbraw/zinc/49/31/60/353493160.db2.gz CJPZVXGRNMJDAK-GJZGRUSLSA-N 2 1 245.370 2.250 20 0 BEADMP C(CC1CCCC1)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357068183 188422206 /nfs/dbraw/zinc/42/22/06/188422206.db2.gz DKWFPLQEUWACPA-HUUCEWRRSA-N 2 1 236.403 2.498 20 0 BEADMP CC[C@@H]1C[C@H](C)C[N@H+]1CCCn1ccnc1 ZINC000343306099 353524868 /nfs/dbraw/zinc/52/48/68/353524868.db2.gz UPDMOSXZSHPAFQ-QWHCGFSZSA-N 2 1 221.348 2.394 20 0 BEADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000192390365 353549228 /nfs/dbraw/zinc/54/92/28/353549228.db2.gz RYBJEQJLVARLBC-DGCLKSJQSA-N 2 1 224.392 2.495 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000220188286 353820039 /nfs/dbraw/zinc/82/00/39/353820039.db2.gz MPFLJVRKQUVRSD-FZMZJTMJSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000220188286 353820043 /nfs/dbraw/zinc/82/00/43/353820043.db2.gz MPFLJVRKQUVRSD-FZMZJTMJSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1ccc(F)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000220188705 353820143 /nfs/dbraw/zinc/82/01/43/353820143.db2.gz AZJHMHJMJIQWRQ-FZMZJTMJSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1ccc(F)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000220188705 353820146 /nfs/dbraw/zinc/82/01/46/353820146.db2.gz AZJHMHJMJIQWRQ-FZMZJTMJSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000220188213 353820446 /nfs/dbraw/zinc/82/04/46/353820446.db2.gz MPFLJVRKQUVRSD-SMDDNHRTSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000220188213 353820448 /nfs/dbraw/zinc/82/04/48/353820448.db2.gz MPFLJVRKQUVRSD-SMDDNHRTSA-N 2 1 236.334 2.303 20 0 BEADMP CCC[C@@H](C[N@@H+](C)CCC[NH+]1CCCC1)OC ZINC000639132482 353841714 /nfs/dbraw/zinc/84/17/14/353841714.db2.gz OXMHJDXAIAXNLM-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP CCC[NH2+]CC[NH2+]C[C@@H](C)c1ccccc1 ZINC000233091101 353794943 /nfs/dbraw/zinc/79/49/43/353794943.db2.gz PIRUXCRZCCLCJK-CYBMUJFWSA-N 2 1 220.360 2.379 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@H]2CC2(F)F)C1 ZINC000639170765 354125546 /nfs/dbraw/zinc/12/55/46/354125546.db2.gz XOMWPJIQSGXCFW-SDDRHHMPSA-N 2 1 246.345 2.350 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CC2(F)F)C1 ZINC000639170764 354126034 /nfs/dbraw/zinc/12/60/34/354126034.db2.gz XOMWPJIQSGXCFW-QJPTWQEYSA-N 2 1 246.345 2.350 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)CC(C)(C)OC)CC1 ZINC000038098029 358484584 /nfs/dbraw/zinc/48/45/84/358484584.db2.gz IFKVFQNUCGEUCP-LBPRGKRZSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@H](C)[C@@H](C[N@@H+](CC)CCC[NH+](C)C)OC ZINC000639175025 354190568 /nfs/dbraw/zinc/19/05/68/354190568.db2.gz GNOBGTUDKUDURI-UONOGXRCSA-N 2 1 244.423 2.321 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)[C@H](C)C1 ZINC000449742833 202018518 /nfs/dbraw/zinc/01/85/18/202018518.db2.gz RMVGRGVCRSRSRX-UQOMUDLDSA-N 2 1 236.403 2.352 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)C[C@](C)(OC)C1CC1 ZINC000639175765 354206099 /nfs/dbraw/zinc/20/60/99/354206099.db2.gz PSJJBXCHWBLLDR-AWEZNQCLSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[C@H](C[N@@H+](C)[C@@H]1CCN(C)C[C@H]1C)OC ZINC000639180425 354278521 /nfs/dbraw/zinc/27/85/21/354278521.db2.gz WSDMMQOMWOFQNG-MGPQQGTHSA-N 2 1 242.407 2.074 20 0 BEADMP CCC[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)OC ZINC000639180425 354278523 /nfs/dbraw/zinc/27/85/23/354278523.db2.gz WSDMMQOMWOFQNG-MGPQQGTHSA-N 2 1 242.407 2.074 20 0 BEADMP CCC[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)OC ZINC000639180425 354278524 /nfs/dbraw/zinc/27/85/24/354278524.db2.gz WSDMMQOMWOFQNG-MGPQQGTHSA-N 2 1 242.407 2.074 20 0 BEADMP CCC[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C)OC ZINC000639180425 354278526 /nfs/dbraw/zinc/27/85/26/354278526.db2.gz WSDMMQOMWOFQNG-MGPQQGTHSA-N 2 1 242.407 2.074 20 0 BEADMP CCC[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C)OC ZINC000639180425 354278527 /nfs/dbraw/zinc/27/85/27/354278527.db2.gz WSDMMQOMWOFQNG-MGPQQGTHSA-N 2 1 242.407 2.074 20 0 BEADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC1(c2cccc(F)c2)CC1 ZINC000334737895 354540065 /nfs/dbraw/zinc/54/00/65/354540065.db2.gz MYWVTGMDYXEQBP-RISCZKNCSA-N 2 1 248.345 2.355 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]CCC[C@@H]1CCO1 ZINC000639198141 354600045 /nfs/dbraw/zinc/60/00/45/354600045.db2.gz NUAOJFIMYOWEEP-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]CCC[C@@H]1CCO1 ZINC000639198141 354600050 /nfs/dbraw/zinc/60/00/50/354600050.db2.gz NUAOJFIMYOWEEP-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP C[N@@H+]1CCCC12CC[NH+](CC1CCC1)CC2 ZINC000335106957 354692131 /nfs/dbraw/zinc/69/21/31/354692131.db2.gz DBAUDADYNITQQX-UHFFFAOYSA-N 2 1 222.376 2.347 20 0 BEADMP C[N@H+]1CCCC12CC[NH+](CC1CCC1)CC2 ZINC000335106957 354692133 /nfs/dbraw/zinc/69/21/33/354692133.db2.gz DBAUDADYNITQQX-UHFFFAOYSA-N 2 1 222.376 2.347 20 0 BEADMP C[C@@H]1C[C@H](Nc2cc3c(c[nH+]2)CCC3)CC[N@@H+]1C ZINC000639211381 354751866 /nfs/dbraw/zinc/75/18/66/354751866.db2.gz UBERYVMGQJYFFI-BXUZGUMPSA-N 2 1 245.370 2.465 20 0 BEADMP C[C@@H]1C[C@H](Nc2cc3c(c[nH+]2)CCC3)CC[N@H+]1C ZINC000639211381 354751871 /nfs/dbraw/zinc/75/18/71/354751871.db2.gz UBERYVMGQJYFFI-BXUZGUMPSA-N 2 1 245.370 2.465 20 0 BEADMP CSCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366912488 354754348 /nfs/dbraw/zinc/75/43/48/354754348.db2.gz MMAHTPZEDJANFR-UHFFFAOYSA-N 2 1 242.432 2.157 20 0 BEADMP CC[N@@H+](CCC1CC1)C[C@H]1CCC[NH2+]C1 ZINC000233466787 363403851 /nfs/dbraw/zinc/40/38/51/363403851.db2.gz PVOONYAXBSNEBW-ZDUSSCGKSA-N 2 1 210.365 2.108 20 0 BEADMP CCCC[N@@H+](CC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000232962200 363389114 /nfs/dbraw/zinc/38/91/14/363389114.db2.gz VPMCHYHOFSVVDF-STQMWFEESA-N 2 1 212.381 2.497 20 0 BEADMP COc1ccc([C@@H](C)C[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000346075954 354858678 /nfs/dbraw/zinc/85/86/78/354858678.db2.gz AFIAILZXAMZBGF-JSGCOSHPSA-N 2 1 248.370 2.222 20 0 BEADMP COc1ccc([C@@H](C)C[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000346075954 354858682 /nfs/dbraw/zinc/85/86/82/354858682.db2.gz AFIAILZXAMZBGF-JSGCOSHPSA-N 2 1 248.370 2.222 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCc2ccccc21 ZINC000235460381 363444919 /nfs/dbraw/zinc/44/49/19/363444919.db2.gz PODUNBIYBAMVSX-ZWNOBZJWSA-N 2 1 204.317 2.001 20 0 BEADMP Cc1ccncc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000335177667 354947305 /nfs/dbraw/zinc/94/73/05/354947305.db2.gz KITLVIWMKHEEBK-UONOGXRCSA-N 2 1 233.359 2.140 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000335204524 355039850 /nfs/dbraw/zinc/03/98/50/355039850.db2.gz NZPLRDGYJWCREB-CHWSQXEVSA-N 2 1 222.376 2.203 20 0 BEADMP CC[C@H]1C[C@@H](C[N@@H+](C)CC(C)(C)C[NH3+])CCO1 ZINC000346679950 355010977 /nfs/dbraw/zinc/01/09/77/355010977.db2.gz MKZUBORYWRXTRF-STQMWFEESA-N 2 1 242.407 2.108 20 0 BEADMP C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000335229455 355071878 /nfs/dbraw/zinc/07/18/78/355071878.db2.gz FGOHWTAKSAVABB-ZYHUDNBSSA-N 2 1 238.762 2.477 20 0 BEADMP Fc1ccc2c(c1)CC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000335238308 355100171 /nfs/dbraw/zinc/10/01/71/355100171.db2.gz FKNFGLQBQZRWEX-LBPRGKRZSA-N 2 1 248.345 2.183 20 0 BEADMP C[N@H+](CCCOc1ccccc1)CC(C)(C)[NH3+] ZINC000346838303 355132678 /nfs/dbraw/zinc/13/26/78/355132678.db2.gz WVJNSJOPMOTGRM-UHFFFAOYSA-N 2 1 236.359 2.125 20 0 BEADMP C[N@@H+](CCCOc1ccccc1)CC(C)(C)[NH3+] ZINC000346838303 355132679 /nfs/dbraw/zinc/13/26/79/355132679.db2.gz WVJNSJOPMOTGRM-UHFFFAOYSA-N 2 1 236.359 2.125 20 0 BEADMP C[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346975497 355209321 /nfs/dbraw/zinc/20/93/21/355209321.db2.gz JEOZXBLISFPACL-ZIAGYGMSSA-N 2 1 244.382 2.433 20 0 BEADMP CC[C@@]1(C)CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346977890 355211736 /nfs/dbraw/zinc/21/17/36/355211736.db2.gz NECZOWBPQOIPNF-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP CCSCC[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000347012158 355204836 /nfs/dbraw/zinc/20/48/36/355204836.db2.gz UUSFBSJTNKRNJK-CHWSQXEVSA-N 2 1 244.448 2.450 20 0 BEADMP CCSCC[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000347012160 355205174 /nfs/dbraw/zinc/20/51/74/355205174.db2.gz UUSFBSJTNKRNJK-QWHCGFSZSA-N 2 1 244.448 2.450 20 0 BEADMP C[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@@H]1CC1(F)F ZINC000639241484 355226988 /nfs/dbraw/zinc/22/69/88/355226988.db2.gz FOZNLMZLDYFQNW-QWRGUYRKSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@@H]1CC1(F)F ZINC000639241484 355226992 /nfs/dbraw/zinc/22/69/92/355226992.db2.gz FOZNLMZLDYFQNW-QWRGUYRKSA-N 2 1 246.345 2.494 20 0 BEADMP C[N@@H+](CCCC[NH2+]CCC[C@H]1CCO1)C1CC1 ZINC000639244130 355230778 /nfs/dbraw/zinc/23/07/78/355230778.db2.gz GZYCBEIIAFBCND-AWEZNQCLSA-N 2 1 240.391 2.020 20 0 BEADMP CSC1(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)CC1 ZINC000347597954 355250799 /nfs/dbraw/zinc/25/07/99/355250799.db2.gz XAZSBIQDHDBWAG-LBPRGKRZSA-N 2 1 242.432 2.156 20 0 BEADMP CSC1(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000347597954 355250803 /nfs/dbraw/zinc/25/08/03/355250803.db2.gz XAZSBIQDHDBWAG-LBPRGKRZSA-N 2 1 242.432 2.156 20 0 BEADMP CSC1(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000347597954 355250804 /nfs/dbraw/zinc/25/08/04/355250804.db2.gz XAZSBIQDHDBWAG-LBPRGKRZSA-N 2 1 242.432 2.156 20 0 BEADMP C[C@@H](CCc1cccc(F)c1)[NH2+][C@H]1CC[NH2+]C1 ZINC000414864160 191606058 /nfs/dbraw/zinc/60/60/58/191606058.db2.gz BJQXNSVUSOFYBK-FZMZJTMJSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000414932248 191625831 /nfs/dbraw/zinc/62/58/31/191625831.db2.gz QVUWSIHYHLYEBM-MROQNXINSA-N 2 1 210.365 2.153 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCCOC ZINC000353986613 355748074 /nfs/dbraw/zinc/74/80/74/355748074.db2.gz JZTGXDZHBUIQAE-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCCOC ZINC000353986613 355748075 /nfs/dbraw/zinc/74/80/75/355748075.db2.gz JZTGXDZHBUIQAE-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCC[C@@H]1CCO1 ZINC000639328122 355733642 /nfs/dbraw/zinc/73/36/42/355733642.db2.gz VIZCCAQBUNOJPB-CYBMUJFWSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCC[C@@H]1CCO1 ZINC000639328122 355733645 /nfs/dbraw/zinc/73/36/45/355733645.db2.gz VIZCCAQBUNOJPB-CYBMUJFWSA-N 2 1 242.407 2.266 20 0 BEADMP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000216029096 355798288 /nfs/dbraw/zinc/79/82/88/355798288.db2.gz WGAVVGBFHSRTLX-GXTWGEPZSA-N 2 1 248.370 2.254 20 0 BEADMP CCOc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000536598778 355842894 /nfs/dbraw/zinc/84/28/94/355842894.db2.gz JIAHLIPXGAWYGY-UHFFFAOYSA-N 2 1 248.370 2.271 20 0 BEADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccncc2)C1 ZINC000608577959 355865927 /nfs/dbraw/zinc/86/59/27/355865927.db2.gz OPBDUYHDSDXDAT-KBPBESRZSA-N 2 1 247.386 2.416 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccncc2)C1 ZINC000608577959 355865930 /nfs/dbraw/zinc/86/59/30/355865930.db2.gz OPBDUYHDSDXDAT-KBPBESRZSA-N 2 1 247.386 2.416 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccncc2)C1 ZINC000608577959 355865932 /nfs/dbraw/zinc/86/59/32/355865932.db2.gz OPBDUYHDSDXDAT-KBPBESRZSA-N 2 1 247.386 2.416 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2ccncc2)C1 ZINC000608577959 355865936 /nfs/dbraw/zinc/86/59/36/355865936.db2.gz OPBDUYHDSDXDAT-KBPBESRZSA-N 2 1 247.386 2.416 20 0 BEADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccncc2)C1 ZINC000608577960 355866278 /nfs/dbraw/zinc/86/62/78/355866278.db2.gz OPBDUYHDSDXDAT-KGLIPLIRSA-N 2 1 247.386 2.416 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccncc2)C1 ZINC000608577960 355866279 /nfs/dbraw/zinc/86/62/79/355866279.db2.gz OPBDUYHDSDXDAT-KGLIPLIRSA-N 2 1 247.386 2.416 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2ccncc2)C1 ZINC000608577960 355866281 /nfs/dbraw/zinc/86/62/81/355866281.db2.gz OPBDUYHDSDXDAT-KGLIPLIRSA-N 2 1 247.386 2.416 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2ccncc2)C1 ZINC000608577960 355866282 /nfs/dbraw/zinc/86/62/82/355866282.db2.gz OPBDUYHDSDXDAT-KGLIPLIRSA-N 2 1 247.386 2.416 20 0 BEADMP CCC(C)(C)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351494627 356003199 /nfs/dbraw/zinc/00/31/99/356003199.db2.gz OLTYAYQOPFGGGH-YNEHKIRRSA-N 2 1 224.392 2.482 20 0 BEADMP Cc1ccc(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000335906396 356105823 /nfs/dbraw/zinc/10/58/23/356105823.db2.gz DDUNNXGGHUFYTG-CVEARBPZSA-N 2 1 244.382 2.221 20 0 BEADMP C[C@H](F)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000351882135 356120556 /nfs/dbraw/zinc/12/05/56/356120556.db2.gz PAWWWSODHUGBPX-XQQFMLRXSA-N 2 1 228.355 2.151 20 0 BEADMP C[C@H](F)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000351882135 356120563 /nfs/dbraw/zinc/12/05/63/356120563.db2.gz PAWWWSODHUGBPX-XQQFMLRXSA-N 2 1 228.355 2.151 20 0 BEADMP C[C@H](F)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000351882135 356120567 /nfs/dbraw/zinc/12/05/67/356120567.db2.gz PAWWWSODHUGBPX-XQQFMLRXSA-N 2 1 228.355 2.151 20 0 BEADMP C[N@@H+](CCCC[NH2+][C@H]1COC(C)(C)C1)C1CC1 ZINC000418082448 191964131 /nfs/dbraw/zinc/96/41/31/191964131.db2.gz IYPSKZZDJILSCH-GFCCVEGCSA-N 2 1 240.391 2.018 20 0 BEADMP CCc1ccc(CC[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000351861574 356099166 /nfs/dbraw/zinc/09/91/66/356099166.db2.gz KRIDWAGZXOIVOM-CJNGLKHVSA-N 2 1 246.398 2.461 20 0 BEADMP Cc1ccc(CC[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000351861982 356099773 /nfs/dbraw/zinc/09/97/73/356099773.db2.gz MRYFCJPGDDJQNY-ZFWWWQNUSA-N 2 1 232.371 2.207 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCF)[C@@H](C)C1 ZINC000351866490 356102250 /nfs/dbraw/zinc/10/22/50/356102250.db2.gz XDHSWVOCAXCIEJ-QWHCGFSZSA-N 2 1 230.371 2.398 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCF)[C@@H](C)C1 ZINC000351866490 356102252 /nfs/dbraw/zinc/10/22/52/356102252.db2.gz XDHSWVOCAXCIEJ-QWHCGFSZSA-N 2 1 230.371 2.398 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCF)[C@@H](C)C1 ZINC000351866490 356102257 /nfs/dbraw/zinc/10/22/57/356102257.db2.gz XDHSWVOCAXCIEJ-QWHCGFSZSA-N 2 1 230.371 2.398 20 0 BEADMP COC[C@@H](C)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000526114538 356227256 /nfs/dbraw/zinc/22/72/56/356227256.db2.gz CSJFZNWFFWOTSH-ZDUSSCGKSA-N 2 1 242.407 2.074 20 0 BEADMP [NH3+]CCCCNc1cc[nH+]c2ccsc21 ZINC000420234531 192181617 /nfs/dbraw/zinc/18/16/17/192181617.db2.gz NVFJTDMHCSWGHO-UHFFFAOYSA-N 2 1 221.329 2.447 20 0 BEADMP CCCC[N@@H+](C)CC1CC[NH+](CC(C)=O)CC1 ZINC000639455795 356240998 /nfs/dbraw/zinc/24/09/98/356240998.db2.gz WRWCQFNEQJLURM-UHFFFAOYSA-N 2 1 240.391 2.019 20 0 BEADMP C[C@](C[NH3+])([NH2+]CCCCC(F)(F)F)C1CC1 ZINC000420292591 192203829 /nfs/dbraw/zinc/20/38/29/192203829.db2.gz PPTGWLJWGFIDPZ-SNVBAGLBSA-N 2 1 238.297 2.436 20 0 BEADMP Cc1ccc(C[C@H]2CCC[N@@H+]2C[C@H](C)[NH3+])cc1 ZINC000420298199 192204448 /nfs/dbraw/zinc/20/44/48/192204448.db2.gz GZTWYGZGJVVCHT-DZGCQCFKSA-N 2 1 232.371 2.349 20 0 BEADMP CC(C)C[N@H+](Cc1ccccc1)C[C@H](C)[NH3+] ZINC000420296877 192204808 /nfs/dbraw/zinc/20/48/08/192204808.db2.gz CILFCLXPBYHNJA-ZDUSSCGKSA-N 2 1 220.360 2.492 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CCCC2(CCCCC2)C1 ZINC000420298796 192205284 /nfs/dbraw/zinc/20/52/84/192205284.db2.gz HUTGDDYGRABUIM-LBPRGKRZSA-N 2 1 210.365 2.380 20 0 BEADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H](C)C(C)C ZINC000420295765 192205674 /nfs/dbraw/zinc/20/56/74/192205674.db2.gz CQJMFDHACRFTMD-STQMWFEESA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@@H+](C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420302961 192206155 /nfs/dbraw/zinc/20/61/55/192206155.db2.gz KCNMNVIXNKNETO-CYBMUJFWSA-N 2 1 236.359 2.079 20 0 BEADMP CCc1ccccc1C[NH2+]CC1([NH3+])CCC1 ZINC000420299994 192206254 /nfs/dbraw/zinc/20/62/54/192206254.db2.gz CAXWZRRHHNLCDM-UHFFFAOYSA-N 2 1 218.344 2.220 20 0 BEADMP C[N@@H+](CCCCC(F)(F)F)C1CC[NH2+]CC1 ZINC000420273940 192197338 /nfs/dbraw/zinc/19/73/38/192197338.db2.gz NZGYSXSDWYHMLV-UHFFFAOYSA-N 2 1 238.297 2.403 20 0 BEADMP CC(C)C[C@@H](C)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000420286476 192201345 /nfs/dbraw/zinc/20/13/45/192201345.db2.gz GRGADVGONLFVGE-YPMHNXCESA-N 2 1 212.381 2.386 20 0 BEADMP C[C@@H]1CCC[C@@H](CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000420334904 192213679 /nfs/dbraw/zinc/21/36/79/192213679.db2.gz GVUVEDINBJAJHD-BARDWOONSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CCC[C@@H](CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000420334904 192213680 /nfs/dbraw/zinc/21/36/80/192213680.db2.gz GVUVEDINBJAJHD-BARDWOONSA-N 2 1 236.403 2.497 20 0 BEADMP CCCCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331970 192214647 /nfs/dbraw/zinc/21/46/47/192214647.db2.gz CJEJVYJODXASAW-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP C[N@@H+](CCCc1cccc(F)c1)C1CC([NH3+])C1 ZINC000420329986 192215034 /nfs/dbraw/zinc/21/50/34/192215034.db2.gz KRCXWNYOVJRYRF-UHFFFAOYSA-N 2 1 236.334 2.180 20 0 BEADMP CCCCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331971 192215242 /nfs/dbraw/zinc/21/52/42/192215242.db2.gz CJEJVYJODXASAW-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP CCCCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420351729 192218396 /nfs/dbraw/zinc/21/83/96/192218396.db2.gz AFUMPMNYLJTOKZ-CYBMUJFWSA-N 2 1 210.365 2.252 20 0 BEADMP C(C[N@H+]1CCC[C@H]1C1CCC1)[C@@H]1CC[NH2+]C1 ZINC000420306639 192208730 /nfs/dbraw/zinc/20/87/30/192208730.db2.gz QREMSUZPLMMJRH-JSGCOSHPSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H]1CCC[C@H](C)[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420305664 192209152 /nfs/dbraw/zinc/20/91/52/192209152.db2.gz PTKXXBMWMFZTJU-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP CCc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000420311393 192211081 /nfs/dbraw/zinc/21/10/81/192211081.db2.gz RBDVXMNDVUEMCZ-JYJNAYRXSA-N 2 1 244.382 2.418 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC000420312232 192211203 /nfs/dbraw/zinc/21/12/03/192211203.db2.gz RYRRBPFRLOPQTK-VHSXEESVSA-N 2 1 238.297 2.388 20 0 BEADMP C[C@]1(C[NH3+])CC[N@@H+](CCCc2ccsc2)C1 ZINC000420313353 192212185 /nfs/dbraw/zinc/21/21/85/192212185.db2.gz JLUOTOKKOYJSRR-CYBMUJFWSA-N 2 1 238.400 2.351 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])cc1C ZINC000420370570 192227619 /nfs/dbraw/zinc/22/76/19/192227619.db2.gz JOXPGKXWNYVXDZ-RYUDHWBXSA-N 2 1 206.333 2.301 20 0 BEADMP CCSCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420328337 192229573 /nfs/dbraw/zinc/22/95/73/192229573.db2.gz MHXCHPCZPQNTLG-CHWSQXEVSA-N 2 1 242.432 2.061 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000420372128 192230004 /nfs/dbraw/zinc/23/00/04/192230004.db2.gz LCYIHQYKIQHGBT-BDAKNGLRSA-N 2 1 212.724 2.338 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000420355339 192219997 /nfs/dbraw/zinc/21/99/97/192219997.db2.gz FHRCLQPXIFXNBH-OAHLLOKOSA-N 2 1 247.386 2.172 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCCc1cccc(F)c1 ZINC000420361556 192222424 /nfs/dbraw/zinc/22/24/24/192222424.db2.gz YJPIRVYQNGZFQO-FZMZJTMJSA-N 2 1 236.334 2.180 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCCc1cccc(F)c1 ZINC000420361556 192222426 /nfs/dbraw/zinc/22/24/26/192222426.db2.gz YJPIRVYQNGZFQO-FZMZJTMJSA-N 2 1 236.334 2.180 20 0 BEADMP CC(C)CCOCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420360469 192222524 /nfs/dbraw/zinc/22/25/24/192222524.db2.gz HEIGGFAOUULTOF-HZSPNIEDSA-N 2 1 242.407 2.025 20 0 BEADMP C[C@@H]1C[N@H+](CCCc2cccc(F)c2)C[C@H]1[NH3+] ZINC000420383270 192235537 /nfs/dbraw/zinc/23/55/37/192235537.db2.gz SQYZMGZTNUOUGK-BXUZGUMPSA-N 2 1 236.334 2.037 20 0 BEADMP C[C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@H]1[NH3+] ZINC000420383270 192235538 /nfs/dbraw/zinc/23/55/38/192235538.db2.gz SQYZMGZTNUOUGK-BXUZGUMPSA-N 2 1 236.334 2.037 20 0 BEADMP C[NH2+]CCC[N@H+](C)CCOC1CCCCCC1 ZINC000420393597 192237034 /nfs/dbraw/zinc/23/70/34/192237034.db2.gz XYAGHKUYIUFWCS-UHFFFAOYSA-N 2 1 242.407 2.267 20 0 BEADMP C[NH2+]CCC[N@@H+](C)CCOC1CCCCCC1 ZINC000420393597 192237035 /nfs/dbraw/zinc/23/70/35/192237035.db2.gz XYAGHKUYIUFWCS-UHFFFAOYSA-N 2 1 242.407 2.267 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCCCCF ZINC000420375585 192232294 /nfs/dbraw/zinc/23/22/94/192232294.db2.gz TYUXZJYKCWQWIP-UTUOFQBUSA-N 2 1 216.344 2.102 20 0 BEADMP Cc1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)c(C)n1 ZINC000420373406 192232318 /nfs/dbraw/zinc/23/23/18/192232318.db2.gz ZBNKLGCUXWVNSO-ZDUSSCGKSA-N 2 1 235.375 2.161 20 0 BEADMP [NH3+]C[C@H]([NH2+]CC[C@@H]1CCCO1)C1CCCCC1 ZINC000420381161 192233906 /nfs/dbraw/zinc/23/39/06/192233906.db2.gz YYGSPAPOVZAERE-KBPBESRZSA-N 2 1 240.391 2.053 20 0 BEADMP CC(C)(C)CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000336161041 134111076 /nfs/dbraw/zinc/11/10/76/134111076.db2.gz WLWZSFHMBIIMIK-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@@H](C)[NH3+])cc1 ZINC000336170486 134114537 /nfs/dbraw/zinc/11/45/37/134114537.db2.gz HAGMMNDSWCRZMA-TZMCWYRMSA-N 2 1 218.344 2.479 20 0 BEADMP Cc1ccc([C@H]2CCC[N@@H+]2C[C@@H](C)[NH3+])cc1 ZINC000336170486 134114538 /nfs/dbraw/zinc/11/45/38/134114538.db2.gz HAGMMNDSWCRZMA-TZMCWYRMSA-N 2 1 218.344 2.479 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449777988 202031394 /nfs/dbraw/zinc/03/13/94/202031394.db2.gz AMGRYVQPHISKNE-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449777988 202031397 /nfs/dbraw/zinc/03/13/97/202031397.db2.gz AMGRYVQPHISKNE-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)[C@@H]1C ZINC000449778318 202031851 /nfs/dbraw/zinc/03/18/51/202031851.db2.gz BILKTJBPOBMOJR-JHJVBQTASA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)[C@@H]1C ZINC000449778318 202031854 /nfs/dbraw/zinc/03/18/54/202031854.db2.gz BILKTJBPOBMOJR-JHJVBQTASA-N 2 1 224.392 2.495 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c(C)n1 ZINC000639685689 356600669 /nfs/dbraw/zinc/60/06/69/356600669.db2.gz LQQMXPNBHUINOT-OCCSQVGLSA-N 2 1 248.370 2.352 20 0 BEADMP CCC[C@@H](C)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224295620 535325562 /nfs/dbraw/zinc/32/55/62/535325562.db2.gz QWLXGMQOWMZGIR-OLZOCXBDSA-N 2 1 212.381 2.483 20 0 BEADMP C[NH+]1CCC2(CC[N@@H+](CC3CCC3)C2)CC1 ZINC000639754921 356658180 /nfs/dbraw/zinc/65/81/80/356658180.db2.gz CIOZWMSSJPAZQW-UHFFFAOYSA-N 2 1 222.376 2.204 20 0 BEADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CCC1 ZINC000392298126 259469357 /nfs/dbraw/zinc/46/93/57/259469357.db2.gz WSKCBDORHRKEHA-CQSZACIVSA-N 2 1 222.376 2.417 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623341412 356742289 /nfs/dbraw/zinc/74/22/89/356742289.db2.gz AVRJWNSLIMUOCG-PWSUYJOCSA-N 2 1 210.365 2.247 20 0 BEADMP Cc1cc(C[NH2+]CCC[N@@H+](C)C(C)C)ccn1 ZINC000623351108 356773581 /nfs/dbraw/zinc/77/35/81/356773581.db2.gz BDOIXODCTDMRSM-UHFFFAOYSA-N 2 1 235.375 2.210 20 0 BEADMP Cc1cc(C[NH2+]CCC[N@H+](C)C(C)C)ccn1 ZINC000623351108 356773584 /nfs/dbraw/zinc/77/35/84/356773584.db2.gz BDOIXODCTDMRSM-UHFFFAOYSA-N 2 1 235.375 2.210 20 0 BEADMP CC(C)CC[C@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000357099868 356814729 /nfs/dbraw/zinc/81/47/29/356814729.db2.gz DOZINYJNENRKLK-CQSZACIVSA-N 2 1 242.407 2.252 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@H]2CCCO2)CC1(C)C ZINC000623353640 356781581 /nfs/dbraw/zinc/78/15/81/356781581.db2.gz SCFYAGVAKYUVQI-CHWSQXEVSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C1C(C)(C)C1(C)C ZINC000423186547 192615846 /nfs/dbraw/zinc/61/58/46/192615846.db2.gz KIHMYDYUHUSUNI-GHMZBOCLSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000257786746 538765198 /nfs/dbraw/zinc/76/51/98/538765198.db2.gz MJNAFIYCSVUAGF-HZSPNIEDSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2(C3CC3)CC2)CC[N@@H+]1C ZINC000389602807 357001074 /nfs/dbraw/zinc/00/10/74/357001074.db2.gz VXKWGMFKRMREAG-PWSUYJOCSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2(C3CC3)CC2)CC[N@H+]1C ZINC000389602807 357001077 /nfs/dbraw/zinc/00/10/77/357001077.db2.gz VXKWGMFKRMREAG-PWSUYJOCSA-N 2 1 208.349 2.001 20 0 BEADMP CCC(C)(C)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261535052 535355674 /nfs/dbraw/zinc/35/56/74/535355674.db2.gz NPAIHMJSYRRMLS-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000423282345 192675622 /nfs/dbraw/zinc/67/56/22/192675622.db2.gz WLEFDCIFSUCXTG-NXEZZACHSA-N 2 1 241.766 2.241 20 0 BEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000628425709 357253055 /nfs/dbraw/zinc/25/30/55/357253055.db2.gz SNBGIOCXBXMITM-LJISPDSOSA-N 2 1 236.403 2.497 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccccc1F ZINC000423277650 192670552 /nfs/dbraw/zinc/67/05/52/192670552.db2.gz QFCRGSTZPDRLHE-MNOVXSKESA-N 2 1 224.323 2.332 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000393219776 357279625 /nfs/dbraw/zinc/27/96/25/357279625.db2.gz OZAKLGRPFRRQMX-RQJABVFESA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000393219776 357279627 /nfs/dbraw/zinc/27/96/27/357279627.db2.gz OZAKLGRPFRRQMX-RQJABVFESA-N 2 1 224.392 2.493 20 0 BEADMP COC1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000130100606 357319541 /nfs/dbraw/zinc/31/95/41/357319541.db2.gz XKDSCBMZPWYJES-AHPWVWPOSA-N 2 1 240.391 2.016 20 0 BEADMP COC1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000130100606 357319543 /nfs/dbraw/zinc/31/95/43/357319543.db2.gz XKDSCBMZPWYJES-AHPWVWPOSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000394834708 357382848 /nfs/dbraw/zinc/38/28/48/357382848.db2.gz UEDSFJCJNXITAO-NHYWBVRUSA-N 2 1 236.403 2.352 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000394834704 357383015 /nfs/dbraw/zinc/38/30/15/357383015.db2.gz UEDSFJCJNXITAO-ABAIWWIYSA-N 2 1 236.403 2.352 20 0 BEADMP C[C@@H]([NH2+]Cc1cc2ccccc2o1)C1C[NH2+]C1 ZINC000582839271 357411701 /nfs/dbraw/zinc/41/17/01/357411701.db2.gz LOJYMHHJOJHMCD-SNVBAGLBSA-N 2 1 230.311 2.130 20 0 BEADMP Cc1cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])c(C)s1 ZINC000582952023 357444036 /nfs/dbraw/zinc/44/40/36/357444036.db2.gz BPWDKRUKRKFMDT-IUCAKERBSA-N 2 1 212.362 2.190 20 0 BEADMP CSCCC[N@H+](C)CCCc1c[nH+]cn1C ZINC000582912697 357433770 /nfs/dbraw/zinc/43/37/70/357433770.db2.gz CAWWRMZHPSCCDL-UHFFFAOYSA-N 2 1 241.404 2.038 20 0 BEADMP CSCCC[N@@H+](C)CCCc1c[nH+]cn1C ZINC000582912697 357433772 /nfs/dbraw/zinc/43/37/72/357433772.db2.gz CAWWRMZHPSCCDL-UHFFFAOYSA-N 2 1 241.404 2.038 20 0 BEADMP C[C@@H]1Cc2[nH+]cn(CC[C@@H]3CC[NH2+]C3)c2C[C@@H]1C ZINC000395776196 357456000 /nfs/dbraw/zinc/45/60/00/357456000.db2.gz AKKUMOAFQNUJHU-AGIUHOORSA-N 2 1 247.386 2.254 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC(F)(F)F ZINC000063099444 357526137 /nfs/dbraw/zinc/52/61/37/357526137.db2.gz SFDKIKCLOXLEAA-OPRDCNLKSA-N 2 1 238.297 2.257 20 0 BEADMP CC(C)CCOCC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231668616 357618668 /nfs/dbraw/zinc/61/86/68/357618668.db2.gz GZXFROHUJCLFMK-AWEZNQCLSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C[NH3+] ZINC000685939344 538886489 /nfs/dbraw/zinc/88/64/89/538886489.db2.gz WMERLLDQCPOUQM-JSGCOSHPSA-N 2 1 218.344 2.103 20 0 BEADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1cc2ccccc2o1 ZINC000423301592 192690957 /nfs/dbraw/zinc/69/09/57/192690957.db2.gz HWCYJXFORKHBRW-JTQLQIEISA-N 2 1 230.311 2.303 20 0 BEADMP CCC[C@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000233336824 357711704 /nfs/dbraw/zinc/71/17/04/357711704.db2.gz PXURGXIRVGYKBF-ZDUSSCGKSA-N 2 1 235.375 2.340 20 0 BEADMP CSCC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000235055354 357841629 /nfs/dbraw/zinc/84/16/29/357841629.db2.gz QAVJSYGRDGBXOB-RWMBFGLXSA-N 2 1 244.448 2.448 20 0 BEADMP C[C@H](CC[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1)c1ccccc1 ZINC000235371241 357868243 /nfs/dbraw/zinc/86/82/43/357868243.db2.gz ZQXCVGMYELTCKF-NFAWXSAZSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@H](CC[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1)c1ccccc1 ZINC000235371241 357868246 /nfs/dbraw/zinc/86/82/46/357868246.db2.gz ZQXCVGMYELTCKF-NFAWXSAZSA-N 2 1 232.371 2.459 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC2(C)C)CC1(C)C ZINC000623417044 357869382 /nfs/dbraw/zinc/86/93/82/357869382.db2.gz QKKMFYJFBRKAKS-RYUDHWBXSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000075860865 325317829 /nfs/dbraw/zinc/31/78/29/325317829.db2.gz FGQQGMNLEXDXDA-CYBMUJFWSA-N 2 1 212.381 2.449 20 0 BEADMP CC(C)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000075860865 325317833 /nfs/dbraw/zinc/31/78/33/325317833.db2.gz FGQQGMNLEXDXDA-CYBMUJFWSA-N 2 1 212.381 2.449 20 0 BEADMP CC(C)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860865 325317827 /nfs/dbraw/zinc/31/78/27/325317827.db2.gz FGQQGMNLEXDXDA-CYBMUJFWSA-N 2 1 212.381 2.449 20 0 BEADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1csc(Cl)c1 ZINC000423303402 192692510 /nfs/dbraw/zinc/69/25/10/192692510.db2.gz LLROSHHOBAQQFZ-ZETCQYMHSA-N 2 1 230.764 2.272 20 0 BEADMP CCc1ccc(C[NH2+]C[C@H]([NH3+])CC)s1 ZINC000225379832 358240096 /nfs/dbraw/zinc/24/00/96/358240096.db2.gz JNZVUXBWECYAKE-SECBINFHSA-N 2 1 212.362 2.137 20 0 BEADMP CCc1ccc(C[NH2+]CC(C)(C)[NH3+])s1 ZINC000225372487 358240579 /nfs/dbraw/zinc/24/05/79/358240579.db2.gz VCNPEPLQGKYUOB-UHFFFAOYSA-N 2 1 212.362 2.137 20 0 BEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000040621924 358243029 /nfs/dbraw/zinc/24/30/29/358243029.db2.gz DXYQXIPJMSNIGI-CQSZACIVSA-N 2 1 248.370 2.212 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000040621924 358243031 /nfs/dbraw/zinc/24/30/31/358243031.db2.gz DXYQXIPJMSNIGI-CQSZACIVSA-N 2 1 248.370 2.212 20 0 BEADMP C([C@H]1CCC[NH2+]C1)[N@@H+](C1CC1)C1CCCC1 ZINC000226435597 358339814 /nfs/dbraw/zinc/33/98/14/358339814.db2.gz FNJZHTOBJFDSGU-LBPRGKRZSA-N 2 1 222.376 2.393 20 0 BEADMP Cc1nc(C)c(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)s1 ZINC000228180812 358370206 /nfs/dbraw/zinc/37/02/06/358370206.db2.gz FJVOSLWQDHAUNU-LDYMZIIASA-N 2 1 239.388 2.072 20 0 BEADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)s1 ZINC000228180812 358370208 /nfs/dbraw/zinc/37/02/08/358370208.db2.gz FJVOSLWQDHAUNU-LDYMZIIASA-N 2 1 239.388 2.072 20 0 BEADMP C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000219122271 134274423 /nfs/dbraw/zinc/27/44/23/134274423.db2.gz XMRDWBJBEDGNIL-QWRGUYRKSA-N 2 1 222.307 2.167 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1cccc(C2CC2)c1 ZINC000227742522 358363030 /nfs/dbraw/zinc/36/30/30/358363030.db2.gz GVPAPXDABBVUGZ-UHFFFAOYSA-N 2 1 218.344 2.345 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC2CCC2)C1 ZINC000173887053 134278623 /nfs/dbraw/zinc/27/86/23/134278623.db2.gz SKOCIVBENXPSCT-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](CC2CCC2)C1 ZINC000173887053 134278624 /nfs/dbraw/zinc/27/86/24/134278624.db2.gz SKOCIVBENXPSCT-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC000173887053 134278625 /nfs/dbraw/zinc/27/86/25/134278625.db2.gz SKOCIVBENXPSCT-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP C[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000043324810 358537032 /nfs/dbraw/zinc/53/70/32/358537032.db2.gz LDTWOPORHNEUHJ-HIFRSBDPSA-N 2 1 232.371 2.349 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1ccccc1C(F)(F)F ZINC000130892562 358651410 /nfs/dbraw/zinc/65/14/10/358651410.db2.gz AKFAFUPGQIBMMN-UHFFFAOYSA-N 2 1 246.276 2.486 20 0 BEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCc1ccccc1 ZINC000131486387 358678598 /nfs/dbraw/zinc/67/85/98/358678598.db2.gz AOEROUQKYHJYKH-DZGCQCFKSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCc1ccccc1 ZINC000131486164 358678689 /nfs/dbraw/zinc/67/86/89/358678689.db2.gz AOEROUQKYHJYKH-UKRRQHHQSA-N 2 1 232.371 2.288 20 0 BEADMP C[NH+](C)CCCC[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000132078292 358705282 /nfs/dbraw/zinc/70/52/82/358705282.db2.gz XHIBOUBAEPTLBU-LSDHHAIUSA-N 2 1 247.386 2.063 20 0 BEADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccncc1 ZINC000049553106 358694324 /nfs/dbraw/zinc/69/43/24/358694324.db2.gz RAQMKHJUQLAECH-NEPJUHHUSA-N 2 1 221.348 2.072 20 0 BEADMP Cc1nc(C)c([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)s1 ZINC000049538742 358694686 /nfs/dbraw/zinc/69/46/86/358694686.db2.gz UUHDPIIFDSRNHS-KWQFWETISA-N 2 1 241.404 2.394 20 0 BEADMP C[N@@H+](CCCF)CC[C@H]1CCCC[NH+]1C ZINC000133836582 358770631 /nfs/dbraw/zinc/77/06/31/358770631.db2.gz UFKSOCAYYMWFSL-GFCCVEGCSA-N 2 1 216.344 2.152 20 0 BEADMP C[NH+](CCCF)CC[C@H]1CCCC[N@@H+]1C ZINC000133836582 358770634 /nfs/dbraw/zinc/77/06/34/358770634.db2.gz UFKSOCAYYMWFSL-GFCCVEGCSA-N 2 1 216.344 2.152 20 0 BEADMP C[NH+](CCCF)CC[C@H]1CCCC[N@H+]1C ZINC000133836582 358770637 /nfs/dbraw/zinc/77/06/37/358770637.db2.gz UFKSOCAYYMWFSL-GFCCVEGCSA-N 2 1 216.344 2.152 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]CCc1cccc(C)c1 ZINC000051669692 358757055 /nfs/dbraw/zinc/75/70/55/358757055.db2.gz FYWAGGJFANLVRX-UHFFFAOYSA-N 2 1 243.354 2.332 20 0 BEADMP C[C@H]1C[N@@H+](CCCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000052092366 358772190 /nfs/dbraw/zinc/77/21/90/358772190.db2.gz PXJBGWUEEMSGFT-ZFWWWQNUSA-N 2 1 248.370 2.125 20 0 BEADMP C[NH2+]CCC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000050600623 358734159 /nfs/dbraw/zinc/73/41/59/358734159.db2.gz TWLFPRBWCYLNLY-AWEZNQCLSA-N 2 1 218.344 2.085 20 0 BEADMP C[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000137675823 358899388 /nfs/dbraw/zinc/89/93/88/358899388.db2.gz KBOBVPBQYQBLRQ-CYBMUJFWSA-N 2 1 210.365 2.204 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H]2C[C@H]2C)CC1 ZINC000321912472 259481731 /nfs/dbraw/zinc/48/17/31/259481731.db2.gz PSVNIYOBRJDYEA-WZRBSPASSA-N 2 1 210.365 2.105 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCCO1 ZINC000246480467 359115738 /nfs/dbraw/zinc/11/57/38/359115738.db2.gz RGGMWZABEGYHFN-RFQIPJPRSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCCO1 ZINC000246480467 359115744 /nfs/dbraw/zinc/11/57/44/359115744.db2.gz RGGMWZABEGYHFN-RFQIPJPRSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000423328404 192709600 /nfs/dbraw/zinc/70/96/00/192709600.db2.gz OAKSTQRNDXNQNM-BNOWGMLFSA-N 2 1 218.344 2.260 20 0 BEADMP COCC[N@@H+](CCC[NH3+])[C@H](C)c1ccccc1 ZINC000070376043 359052433 /nfs/dbraw/zinc/05/24/33/359052433.db2.gz UBCJUSKUCIBRCJ-CYBMUJFWSA-N 2 1 236.359 2.045 20 0 BEADMP FCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246969061 359178999 /nfs/dbraw/zinc/17/89/99/359178999.db2.gz VIKBEPBGGQMULS-GXTWGEPZSA-N 2 1 240.366 2.295 20 0 BEADMP FCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246969061 359179003 /nfs/dbraw/zinc/17/90/03/359179003.db2.gz VIKBEPBGGQMULS-GXTWGEPZSA-N 2 1 240.366 2.295 20 0 BEADMP FCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246969061 359179005 /nfs/dbraw/zinc/17/90/05/359179005.db2.gz VIKBEPBGGQMULS-GXTWGEPZSA-N 2 1 240.366 2.295 20 0 BEADMP C[C@@H]1C[C@H](C)C[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000246747023 359160981 /nfs/dbraw/zinc/16/09/81/359160981.db2.gz HNXRRYUWJZSYEN-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1C[C@H](C)C[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000246747023 359160984 /nfs/dbraw/zinc/16/09/84/359160984.db2.gz HNXRRYUWJZSYEN-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP CC1CC([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623439115 359331222 /nfs/dbraw/zinc/33/12/22/359331222.db2.gz WVCKQTGEJKPUTM-MOENNCHZSA-N 2 1 210.365 2.247 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCSC2)CC1(C)C ZINC000623439385 359332562 /nfs/dbraw/zinc/33/25/62/359332562.db2.gz GRPPWZBOXXFELC-NWDGAFQWSA-N 2 1 242.432 2.344 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@]2(C)CCCO2)CC1(C)C ZINC000623443994 359335425 /nfs/dbraw/zinc/33/54/25/359335425.db2.gz XNGCHOAUJMOBHC-TZMCWYRMSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3occc32)CC[NH2+]1 ZINC000423386538 192760819 /nfs/dbraw/zinc/76/08/19/192760819.db2.gz SBBAZIYPZJWULC-NQBHXWOUSA-N 2 1 234.343 2.387 20 0 BEADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000423470893 192784239 /nfs/dbraw/zinc/78/42/39/192784239.db2.gz PKKMMMGBWACCGN-MNXVOIDGSA-N 2 1 236.359 2.088 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCS[C@H](C)CC1 ZINC000379530565 359536197 /nfs/dbraw/zinc/53/61/97/359536197.db2.gz CJCXOFFQNDMWDE-NEPJUHHUSA-N 2 1 230.421 2.187 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCS[C@H](C)CC1 ZINC000379530565 359536200 /nfs/dbraw/zinc/53/62/00/359536200.db2.gz CJCXOFFQNDMWDE-NEPJUHHUSA-N 2 1 230.421 2.187 20 0 BEADMP CC(C)C[NH+]1CCC([NH2+]Cc2cccnc2)CC1 ZINC000075760914 359689625 /nfs/dbraw/zinc/68/96/25/359689625.db2.gz JNWGMCWUXCGIFW-UHFFFAOYSA-N 2 1 247.386 2.292 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@](C)(COC)C1 ZINC000451202090 202380523 /nfs/dbraw/zinc/38/05/23/202380523.db2.gz LWZHZFUGPHRKBL-AWEZNQCLSA-N 2 1 242.407 2.077 20 0 BEADMP CC(C)CC[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000088444590 359954281 /nfs/dbraw/zinc/95/42/81/359954281.db2.gz HGVBMBWBDVNKCT-UHFFFAOYSA-N 2 1 224.392 2.497 20 0 BEADMP CCc1cc(NCC[N@H+](C)C(C)C)nc(C)[nH+]1 ZINC000088760381 359977440 /nfs/dbraw/zinc/97/74/40/359977440.db2.gz IUCTWCWOZBQWAT-UHFFFAOYSA-N 2 1 236.363 2.100 20 0 BEADMP CCc1cc(NCC[N@@H+](C)C(C)C)nc(C)[nH+]1 ZINC000088760381 359977445 /nfs/dbraw/zinc/97/74/45/359977445.db2.gz IUCTWCWOZBQWAT-UHFFFAOYSA-N 2 1 236.363 2.100 20 0 BEADMP CCc1cc(NCC2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC000088760317 359977492 /nfs/dbraw/zinc/97/74/92/359977492.db2.gz SPSYFTVAFIZHCB-UHFFFAOYSA-N 2 1 248.374 2.101 20 0 BEADMP CCc1cc(NC[C@H]2CCC[N@H+](C)C2)nc(C)[nH+]1 ZINC000088760320 359977664 /nfs/dbraw/zinc/97/76/64/359977664.db2.gz CLELVHWTOMQGNK-GFCCVEGCSA-N 2 1 248.374 2.101 20 0 BEADMP CCc1cc(NC[C@H]2CCC[N@@H+](C)C2)nc(C)[nH+]1 ZINC000088760320 359977665 /nfs/dbraw/zinc/97/76/65/359977665.db2.gz CLELVHWTOMQGNK-GFCCVEGCSA-N 2 1 248.374 2.101 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(C)CCCC1 ZINC000089555364 360026200 /nfs/dbraw/zinc/02/62/00/360026200.db2.gz IAPZSHYFRUURSX-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP Cc1ccccc1C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000089749188 360037291 /nfs/dbraw/zinc/03/72/91/360037291.db2.gz LHIAZRDVKJSELO-AWEZNQCLSA-N 2 1 232.371 2.426 20 0 BEADMP CCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000090219446 360065974 /nfs/dbraw/zinc/06/59/74/360065974.db2.gz VDXFCZBOUYYXFI-CHWSQXEVSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC000623481308 360443440 /nfs/dbraw/zinc/44/34/40/360443440.db2.gz ZLLZYFCKQAVUSA-JHJVBQTASA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@H](C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156086424 360947320 /nfs/dbraw/zinc/94/73/20/360947320.db2.gz YVGHZDKCZGZPLW-YNEHKIRRSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H](CCC(F)(F)F)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414800005 200765727 /nfs/dbraw/zinc/76/57/27/200765727.db2.gz FKMOHXKESBMQOC-VXNVDRBHSA-N 2 1 224.270 2.044 20 0 BEADMP Cc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1Cl ZINC000414895721 200777837 /nfs/dbraw/zinc/77/78/37/200777837.db2.gz YVJDMAKFZKAUDM-CYBMUJFWSA-N 2 1 238.762 2.475 20 0 BEADMP CC[NH+]1CCC([NH2+]C2CC(C(F)F)C2)CC1 ZINC000309663232 491154045 /nfs/dbraw/zinc/15/40/45/491154045.db2.gz SETXZFKQJTZBAP-UHFFFAOYSA-N 2 1 232.318 2.104 20 0 BEADMP C[C@H](CC1CCC1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629410503 361059465 /nfs/dbraw/zinc/05/94/65/361059465.db2.gz FWKMWWUYEWKQIP-NQBHXWOUSA-N 2 1 210.365 2.295 20 0 BEADMP CCCC[C@H](COC)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000629521592 361118235 /nfs/dbraw/zinc/11/82/35/361118235.db2.gz VTDVVZZIXYIBGB-CHWSQXEVSA-N 2 1 240.391 2.066 20 0 BEADMP CCC[C@@H](C)CCC[N@H+]1CCC[NH2+]CC1 ZINC000629505902 361101015 /nfs/dbraw/zinc/10/10/15/361101015.db2.gz PZUFRXQWDKLYQY-CYBMUJFWSA-N 2 1 212.381 2.498 20 0 BEADMP CCC[C@H](C)CCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000629511422 361105987 /nfs/dbraw/zinc/10/59/87/361105987.db2.gz ILYMBJYWXVFXCP-STQMWFEESA-N 2 1 212.381 2.483 20 0 BEADMP CCO[C@H](C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)C1CC1 ZINC000629512953 361107594 /nfs/dbraw/zinc/10/75/94/361107594.db2.gz JQKOFCYDGHHODR-ZIAGYGMSSA-N 2 1 242.407 2.107 20 0 BEADMP CCC[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)OCC ZINC000629515885 361110242 /nfs/dbraw/zinc/11/02/42/361110242.db2.gz VTXDUMGRXNGFCR-IHRRRGAJSA-N 2 1 242.407 2.312 20 0 BEADMP CCC[C@@H](C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1)OCC ZINC000629515401 361114256 /nfs/dbraw/zinc/11/42/56/361114256.db2.gz RMHXYKTYFZSFQN-MJBXVCDLSA-N 2 1 242.407 2.312 20 0 BEADMP CC1(C)CC(C[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000629534002 361163683 /nfs/dbraw/zinc/16/36/83/361163683.db2.gz HVESJYFKBNBHOH-CHWSQXEVSA-N 2 1 222.376 2.106 20 0 BEADMP CC1(C)CC(C[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000629534002 361163689 /nfs/dbraw/zinc/16/36/89/361163689.db2.gz HVESJYFKBNBHOH-CHWSQXEVSA-N 2 1 222.376 2.106 20 0 BEADMP COC[C@@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533517 361302284 /nfs/dbraw/zinc/30/22/84/361302284.db2.gz UFFIXPNEXTUDKP-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CSC2)C1 ZINC000309783644 491156437 /nfs/dbraw/zinc/15/64/37/491156437.db2.gz NLLAXCCZDAWYJU-LBPRGKRZSA-N 2 1 242.432 2.204 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000429043303 201060154 /nfs/dbraw/zinc/06/01/54/201060154.db2.gz FFMPXNJTYDYNKW-CYBMUJFWSA-N 2 1 212.381 2.306 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000629536660 361399661 /nfs/dbraw/zinc/39/96/61/361399661.db2.gz IJHQVOOMGRQERC-PEBLQZBPSA-N 2 1 222.376 2.010 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2ccccc2)CCCC1 ZINC000040409825 181332730 /nfs/dbraw/zinc/33/27/30/181332730.db2.gz MTKZTYJJOBDSNO-UHFFFAOYSA-N 2 1 204.317 2.048 20 0 BEADMP C[C@H]1C[N@H+](CC[NH2+]C(C)(C)C)C(C)(C)C1 ZINC000380253450 366778833 /nfs/dbraw/zinc/77/88/33/366778833.db2.gz QUMDXLFBTOXNAB-LLVKDONJSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H]1C[N@@H+](CC[NH2+]C(C)(C)C)C(C)(C)C1 ZINC000380253450 366778835 /nfs/dbraw/zinc/77/88/35/366778835.db2.gz QUMDXLFBTOXNAB-LLVKDONJSA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)CC)C1 ZINC000181134726 366789402 /nfs/dbraw/zinc/78/94/02/366789402.db2.gz XFYATVOPTXIIJU-QWHCGFSZSA-N 2 1 212.381 2.449 20 0 BEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)CC)C1 ZINC000181134706 366789708 /nfs/dbraw/zinc/78/97/08/366789708.db2.gz XFYATVOPTXIIJU-STQMWFEESA-N 2 1 212.381 2.449 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC23CCC3)C[NH2+]1 ZINC000629543028 361421661 /nfs/dbraw/zinc/42/16/61/361421661.db2.gz RIHIWJQMNOZSNY-IJLUTSLNSA-N 2 1 208.349 2.049 20 0 BEADMP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)C[C@H](C)C1(F)F ZINC000629553172 361437646 /nfs/dbraw/zinc/43/76/46/361437646.db2.gz VJIZYJRUUSYQBX-TUAOUCFPSA-N 2 1 246.345 2.209 20 0 BEADMP C[C@H]1C[C@@H]1C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000629544039 361418172 /nfs/dbraw/zinc/41/81/72/361418172.db2.gz DAQVGCIEWFGFJB-XJFOESAGSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)C[NH2+]1 ZINC000629542550 361419107 /nfs/dbraw/zinc/41/91/07/361419107.db2.gz FPWFSIMJMDYYME-VZZFWQQMSA-N 2 1 222.376 2.295 20 0 BEADMP CC(C)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563980 361458329 /nfs/dbraw/zinc/45/83/29/361458329.db2.gz IUOSXGIKQBVYGU-NXEZZACHSA-N 2 1 238.297 2.102 20 0 BEADMP CC[C@H](C)[NH2+][C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000151965943 201187383 /nfs/dbraw/zinc/18/73/83/201187383.db2.gz HSBFDGTXXTXDQM-AVGNSLFASA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[NH2+][C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000151965943 201187385 /nfs/dbraw/zinc/18/73/85/201187385.db2.gz HSBFDGTXXTXDQM-AVGNSLFASA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C[NH2+][C@@H](C)C(C)C)[NH+]1CCCC1 ZINC000151669336 201166500 /nfs/dbraw/zinc/16/65/00/201166500.db2.gz KNQFRXPGOHHOLR-QWHCGFSZSA-N 2 1 212.381 2.495 20 0 BEADMP C[N@@H+](CC1CCCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000152390327 201198774 /nfs/dbraw/zinc/19/87/74/201198774.db2.gz CZSBKJHSUQUBRG-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH+](CC1CCCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152390327 201198777 /nfs/dbraw/zinc/19/87/77/201198777.db2.gz CZSBKJHSUQUBRG-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C(C)(C)C ZINC000152459330 201200783 /nfs/dbraw/zinc/20/07/83/201200783.db2.gz VGHMXPUWMHNNPU-RYUDHWBXSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)C[C@H](C)C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629660067 361564829 /nfs/dbraw/zinc/56/48/29/361564829.db2.gz NDLPBLUVMMBSCS-YNEHKIRRSA-N 2 1 212.381 2.399 20 0 BEADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CCCC(C)(C)C1 ZINC000629661262 361594914 /nfs/dbraw/zinc/59/49/14/361594914.db2.gz BSBLSILMHIGATO-ZDUSSCGKSA-N 2 1 242.407 2.110 20 0 BEADMP CCC[C@H](C)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629665245 361595708 /nfs/dbraw/zinc/59/57/08/361595708.db2.gz LGQIKVPDNBPQCH-MELADBBJSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000435378808 201264457 /nfs/dbraw/zinc/26/44/57/201264457.db2.gz KAPBGEUSQXXVEV-HIFRSBDPSA-N 2 1 232.371 2.146 20 0 BEADMP CC[N@@H+](Cc1ccc(C)nc1)[C@@H]1CCC[NH2+]CC1 ZINC000435392198 201267998 /nfs/dbraw/zinc/26/79/98/201267998.db2.gz GHIHOSNWMXMSLR-OAHLLOKOSA-N 2 1 247.386 2.354 20 0 BEADMP Cc1ccc(C[C@H](C)[N@@H+](C)CCC[NH3+])cc1 ZINC000435396779 201269390 /nfs/dbraw/zinc/26/93/90/201269390.db2.gz YJXXQWNACVRMLB-ZDUSSCGKSA-N 2 1 220.360 2.207 20 0 BEADMP CC[N@@H+](CCC[NH2+]C)Cc1ccc(OC)cc1 ZINC000435877931 201292323 /nfs/dbraw/zinc/29/23/23/201292323.db2.gz WJSOPIUAEMNGDC-UHFFFAOYSA-N 2 1 236.359 2.127 20 0 BEADMP C[NH2+]CCC[N@H+]1CCc2ccccc2[C@@H]1C ZINC000435879471 201293615 /nfs/dbraw/zinc/29/36/15/201293615.db2.gz CRJVBGIJAJKUQM-LBPRGKRZSA-N 2 1 218.344 2.215 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC000436399465 201325454 /nfs/dbraw/zinc/32/54/54/201325454.db2.gz DVAOBDLXYDJOCC-YPMHNXCESA-N 2 1 233.359 2.426 20 0 BEADMP CCc1cc(N[C@@H]2CC[NH2+]C23CCC3)nc(C)[nH+]1 ZINC000630520514 364204943 /nfs/dbraw/zinc/20/49/43/364204943.db2.gz DOQJDBVGFGKMJY-GFCCVEGCSA-N 2 1 246.358 2.044 20 0 BEADMP Cc1nc(N[C@H]2CC[NH2+]C23CCC3)c(C)c(C)[nH+]1 ZINC000630520708 364205121 /nfs/dbraw/zinc/20/51/21/364205121.db2.gz GDNRZBXBNNVLPZ-LBPRGKRZSA-N 2 1 246.358 2.098 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CC2CCCCC2)C[NH2+]1 ZINC000398974250 364401413 /nfs/dbraw/zinc/40/14/13/364401413.db2.gz XYGXMIBDNGFSIH-DGCLKSJQSA-N 2 1 210.365 2.297 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CCOc2ccccc2C1 ZINC000063013462 181375455 /nfs/dbraw/zinc/37/54/55/181375455.db2.gz JHHQAMQCPBXMDO-UHFFFAOYSA-N 2 1 248.370 2.400 20 0 BEADMP CCC[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000309843147 541429854 /nfs/dbraw/zinc/42/98/54/541429854.db2.gz RAMQXRTWIOZHSD-STQMWFEESA-N 2 1 210.365 2.108 20 0 BEADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000251782011 541443466 /nfs/dbraw/zinc/44/34/66/541443466.db2.gz FOMJUGQYJFNDNB-XJFOESAGSA-N 2 1 240.391 2.016 20 0 BEADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000251782011 541443472 /nfs/dbraw/zinc/44/34/72/541443472.db2.gz FOMJUGQYJFNDNB-XJFOESAGSA-N 2 1 240.391 2.016 20 0 BEADMP [NH3+]CCC[N@@H+](CC1CC1)CC1CCCC1 ZINC000309589217 181379993 /nfs/dbraw/zinc/37/99/93/181379993.db2.gz YBTJIFRONHPQOM-UHFFFAOYSA-N 2 1 210.365 2.237 20 0 BEADMP C[N@H+](CCC[NH3+])Cc1ccccc1OCC1CC1 ZINC000574691829 365122454 /nfs/dbraw/zinc/12/24/54/365122454.db2.gz SVMBPDDOUPHAOD-UHFFFAOYSA-N 2 1 248.370 2.256 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1ccccc1OCC1CC1 ZINC000574691829 365122460 /nfs/dbraw/zinc/12/24/60/365122460.db2.gz SVMBPDDOUPHAOD-UHFFFAOYSA-N 2 1 248.370 2.256 20 0 BEADMP Cc1ccc(C[C@@H]2CCC[N@H+](CC[NH3+])C2)cc1 ZINC000574859402 365159767 /nfs/dbraw/zinc/15/97/67/365159767.db2.gz NYQPYYVDCBQZFH-HNNXBMFYSA-N 2 1 232.371 2.208 20 0 BEADMP Cc1ccc(C[C@@H]2CCC[N@@H+](CC[NH3+])C2)cc1 ZINC000574859402 365159769 /nfs/dbraw/zinc/15/97/69/365159769.db2.gz NYQPYYVDCBQZFH-HNNXBMFYSA-N 2 1 232.371 2.208 20 0 BEADMP CC1([NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000575101750 365197358 /nfs/dbraw/zinc/19/73/58/365197358.db2.gz JMZJTWUSDNGZQF-UHFFFAOYSA-N 2 1 208.349 2.145 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@@H+](CCCc2ccsc2)C1 ZINC000579712580 366989155 /nfs/dbraw/zinc/98/91/55/366989155.db2.gz RXGFIOPISDBOFU-ZDUSSCGKSA-N 2 1 238.400 2.351 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@@H](C)[C@H]1C ZINC000380238268 367159311 /nfs/dbraw/zinc/15/93/11/367159311.db2.gz MUTFPVFMKOZGGM-LPWJVIDDSA-N 2 1 212.381 2.349 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@@H](C)[C@H]1C ZINC000380238268 367159317 /nfs/dbraw/zinc/15/93/17/367159317.db2.gz MUTFPVFMKOZGGM-LPWJVIDDSA-N 2 1 212.381 2.349 20 0 BEADMP CC(C)[N@H+](Cc1ccccn1)C[C@]1(C)CC[NH2+]C1 ZINC000580893667 367199185 /nfs/dbraw/zinc/19/91/85/367199185.db2.gz ZIXZUZNMVOAQRE-OAHLLOKOSA-N 2 1 247.386 2.292 20 0 BEADMP CC(C)[N@@H+](Cc1ccccn1)C[C@]1(C)CC[NH2+]C1 ZINC000580893667 367199188 /nfs/dbraw/zinc/19/91/88/367199188.db2.gz ZIXZUZNMVOAQRE-OAHLLOKOSA-N 2 1 247.386 2.292 20 0 BEADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2cccc(O)c2)CC[NH2+]1 ZINC000580939947 367210577 /nfs/dbraw/zinc/21/05/77/367210577.db2.gz NKZDVDVQNBLKHF-OCCSQVGLSA-N 2 1 248.370 2.212 20 0 BEADMP CC(C)C[C@@H](N)C[N@H+]1C[C@H](C)CC1(C)C ZINC000380576899 367245572 /nfs/dbraw/zinc/24/55/72/367245572.db2.gz VIWIKQWORONPNJ-VXGBXAGGSA-N 2 1 212.381 2.480 20 0 BEADMP C(=C\c1ccccc1)\C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000381082598 367348847 /nfs/dbraw/zinc/34/88/47/367348847.db2.gz IUNQKCWCRVIKKQ-HQQUCIOCSA-N 2 1 242.366 2.385 20 0 BEADMP C(=C\c1ccccc1)\C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000381082598 367348850 /nfs/dbraw/zinc/34/88/50/367348850.db2.gz IUNQKCWCRVIKKQ-HQQUCIOCSA-N 2 1 242.366 2.385 20 0 BEADMP CC[C@@H]1CCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000381357995 367388025 /nfs/dbraw/zinc/38/80/25/367388025.db2.gz DTBPOCUVBJMZJG-KGLIPLIRSA-N 2 1 222.376 2.417 20 0 BEADMP CC[C@@H](C[N@@H+](C)CCC[NH3+])c1ccccc1 ZINC000382089734 367484650 /nfs/dbraw/zinc/48/46/50/367484650.db2.gz XUSONCOZSCAYFA-ZDUSSCGKSA-N 2 1 220.360 2.461 20 0 BEADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cccc(O)c1 ZINC000382592676 367546195 /nfs/dbraw/zinc/54/61/95/367546195.db2.gz HTRYWAXHDVLMGH-LLVKDONJSA-N 2 1 234.343 2.185 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000383149441 367601102 /nfs/dbraw/zinc/60/11/02/367601102.db2.gz ODGSBXOOELDCEW-FOGDFJRCSA-N 2 1 246.345 2.350 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CC1(C)C ZINC000399124839 367595999 /nfs/dbraw/zinc/59/59/99/367595999.db2.gz JMCSZRLBWOOJHV-WYUUTHIRSA-N 2 1 210.365 2.151 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCCCC1CCOCC1 ZINC000383366520 367616546 /nfs/dbraw/zinc/61/65/46/367616546.db2.gz VIJGSMNKMZCQEZ-JSGCOSHPSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCCCC1CCOCC1 ZINC000383366520 367616552 /nfs/dbraw/zinc/61/65/52/367616552.db2.gz VIJGSMNKMZCQEZ-JSGCOSHPSA-N 2 1 240.391 2.005 20 0 BEADMP CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCC[NH2+]C ZINC000581612321 367635039 /nfs/dbraw/zinc/63/50/39/367635039.db2.gz LVGZUFLGDTUUPD-OLZOCXBDSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@@H]1[C@@H](C)CC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000384009027 367668051 /nfs/dbraw/zinc/66/80/51/367668051.db2.gz KAGFZARRBRTRCG-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H]1[C@@H](C)CC[N@H+]1CC[NH2+]C(C)(C)C ZINC000384009027 367668055 /nfs/dbraw/zinc/66/80/55/367668055.db2.gz KAGFZARRBRTRCG-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP CCCCC[N@@H+](C[C@H](O)CN(C)CC)C(C)C ZINC000384049833 367670080 /nfs/dbraw/zinc/67/00/80/367670080.db2.gz WLXLNYDUXRPNOF-CQSZACIVSA-N 2 1 244.423 2.200 20 0 BEADMP CCCCC[N@H+](C[C@H](O)C[NH+](C)CC)C(C)C ZINC000384049833 367670087 /nfs/dbraw/zinc/67/00/87/367670087.db2.gz WLXLNYDUXRPNOF-CQSZACIVSA-N 2 1 244.423 2.200 20 0 BEADMP CCCCC[N@@H+](C[C@H](O)C[NH+](C)CC)C(C)C ZINC000384049833 367670095 /nfs/dbraw/zinc/67/00/95/367670095.db2.gz WLXLNYDUXRPNOF-CQSZACIVSA-N 2 1 244.423 2.200 20 0 BEADMP CCCCC[NH+](C[C@H](O)C[N@H+](C)CC)C(C)C ZINC000384049833 367670101 /nfs/dbraw/zinc/67/01/01/367670101.db2.gz WLXLNYDUXRPNOF-CQSZACIVSA-N 2 1 244.423 2.200 20 0 BEADMP CCCCC[NH+](C[C@H](O)C[N@@H+](C)CC)C(C)C ZINC000384049833 367670105 /nfs/dbraw/zinc/67/01/05/367670105.db2.gz WLXLNYDUXRPNOF-CQSZACIVSA-N 2 1 244.423 2.200 20 0 BEADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000384156547 367673471 /nfs/dbraw/zinc/67/34/71/367673471.db2.gz LPKOOOMJKVLJIL-YIYPIFLZSA-N 2 1 224.392 2.495 20 0 BEADMP C[NH+]1CCC([NH2+]CC(C)(C)C2CCC2)CC1 ZINC000385017235 367773998 /nfs/dbraw/zinc/77/39/98/367773998.db2.gz ZDKSTMNSBSDNED-UHFFFAOYSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCCc1ccccc1 ZINC000385167494 367803326 /nfs/dbraw/zinc/80/33/26/367803326.db2.gz DRHPSNXCCFRFPR-TZMCWYRMSA-N 2 1 218.344 2.041 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCCc1ccccc1 ZINC000385167494 367803332 /nfs/dbraw/zinc/80/33/32/367803332.db2.gz DRHPSNXCCFRFPR-TZMCWYRMSA-N 2 1 218.344 2.041 20 0 BEADMP C[C@H]([N@@H+](C)CC[C@H]1CCC[NH2+]C1)C1(C)CC1 ZINC000385417291 367827827 /nfs/dbraw/zinc/82/78/27/367827827.db2.gz ZHKIHCMJHOJTFF-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000581824635 367832807 /nfs/dbraw/zinc/83/28/07/367832807.db2.gz RXQZVOSMDTYPGA-LSDHHAIUSA-N 2 1 247.386 2.244 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000581824635 367832812 /nfs/dbraw/zinc/83/28/12/367832812.db2.gz RXQZVOSMDTYPGA-LSDHHAIUSA-N 2 1 247.386 2.244 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2[NH2+]CCCC2(C)C)[C@H]1C ZINC000386192128 367927787 /nfs/dbraw/zinc/92/77/87/367927787.db2.gz DPIMOTBVENEMIT-VOAKCMCISA-N 2 1 224.392 2.399 20 0 BEADMP CSC1(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000386539644 367989071 /nfs/dbraw/zinc/98/90/71/367989071.db2.gz CXSUGOFMJSYPLE-QWRGUYRKSA-N 2 1 228.405 2.002 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000581924708 367938094 /nfs/dbraw/zinc/93/80/94/367938094.db2.gz DZYVMOQKXHKLOK-IGQOVBAYSA-N 2 1 242.407 2.261 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000581924708 367938100 /nfs/dbraw/zinc/93/81/00/367938100.db2.gz DZYVMOQKXHKLOK-IGQOVBAYSA-N 2 1 242.407 2.261 20 0 BEADMP CCC[N@H+](CC[C@@H]1CCC[NH2+]C1)CC(F)F ZINC000386463507 367977120 /nfs/dbraw/zinc/97/71/20/367977120.db2.gz XEZADYYPFQTKBH-NSHDSACASA-N 2 1 234.334 2.353 20 0 BEADMP CCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(F)F ZINC000386463507 367977122 /nfs/dbraw/zinc/97/71/22/367977122.db2.gz XEZADYYPFQTKBH-NSHDSACASA-N 2 1 234.334 2.353 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC12CCCC2)[C@@H]1CCCC[NH2+]1 ZINC000387106850 368051941 /nfs/dbraw/zinc/05/19/41/368051941.db2.gz GLJLYQPPKLWPCG-RWMBFGLXSA-N 2 1 222.376 2.439 20 0 BEADMP C[C@@H](C[N@@H+](C)C[C@H]1CC[NH2+]C1)C(C)(C)C ZINC000399697691 368486612 /nfs/dbraw/zinc/48/66/12/368486612.db2.gz BLUJAYOHLSOWSY-RYUDHWBXSA-N 2 1 212.381 2.210 20 0 BEADMP C[C@H](C[N@@H+](C)C[C@H]1CC[NH2+]C1)C(C)(C)C ZINC000399697686 368487363 /nfs/dbraw/zinc/48/73/63/368487363.db2.gz BLUJAYOHLSOWSY-NEPJUHHUSA-N 2 1 212.381 2.210 20 0 BEADMP CC(C)OC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657093 368998156 /nfs/dbraw/zinc/99/81/56/368998156.db2.gz JRBYVINUVSXNDU-KBPBESRZSA-N 2 1 242.407 2.121 20 0 BEADMP N[C@H]1CCCCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000631834853 369040676 /nfs/dbraw/zinc/04/06/76/369040676.db2.gz HDULDWJHYFQVSX-CRWXNKLISA-N 2 1 222.376 2.236 20 0 BEADMP C[C@H](Cc1ccsc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400483036 369350688 /nfs/dbraw/zinc/35/06/88/369350688.db2.gz WPTAGDQTUUEHOP-NTZNESFSSA-N 2 1 238.400 2.409 20 0 BEADMP C[C@H](c1ccc(F)cc1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107579527 369353912 /nfs/dbraw/zinc/35/39/12/369353912.db2.gz RNZFBYADBQUSHV-RAIGVLPGSA-N 2 1 234.318 2.038 20 0 BEADMP C[C@H](c1ccccc1F)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107578101 369354109 /nfs/dbraw/zinc/35/41/09/369354109.db2.gz ARKMTBNHMRASBO-IJLUTSLNSA-N 2 1 234.318 2.038 20 0 BEADMP CC[C@@H](C)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459723598 203342977 /nfs/dbraw/zinc/34/29/77/203342977.db2.gz AGPISJSQXYJKFF-OLZOCXBDSA-N 2 1 212.381 2.354 20 0 BEADMP C[N@H+]1CCC[C@@H](CC[NH2+]CC(C)(C)C)C1 ZINC000459732721 203345906 /nfs/dbraw/zinc/34/59/06/203345906.db2.gz MPXHIENATIXJQZ-LBPRGKRZSA-N 2 1 212.381 2.354 20 0 BEADMP CC(C)[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459736644 203346349 /nfs/dbraw/zinc/34/63/49/203346349.db2.gz QEFSUWFEHVGBHT-CHWSQXEVSA-N 2 1 212.381 2.352 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459776121 203365301 /nfs/dbraw/zinc/36/53/01/203365301.db2.gz KCANJWWJJMKGRC-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP CCC1CC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459798406 203374323 /nfs/dbraw/zinc/37/43/23/203374323.db2.gz XQAGILBFSYVHQG-MOKVOYLWSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H](C[NH2+][C@@H](C)C1CC1)[NH+]1CCCC1 ZINC000165255801 203383501 /nfs/dbraw/zinc/38/35/01/203383501.db2.gz DINJFUPNAAJJNT-AAEUAGOBSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)[C@H]1C ZINC000459783934 203368027 /nfs/dbraw/zinc/36/80/27/203368027.db2.gz NMJWWDMVZUDEFV-RQJABVFESA-N 2 1 224.392 2.352 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C2CC2)C1 ZINC000165265531 203383775 /nfs/dbraw/zinc/38/37/75/203383775.db2.gz XHSPPKIHNBZQIZ-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459795037 203371838 /nfs/dbraw/zinc/37/18/38/203371838.db2.gz XGVGBIPVMITCNQ-RFGFWPKPSA-N 2 1 222.376 2.249 20 0 BEADMP COc1ccc(C)cc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252698587 370117681 /nfs/dbraw/zinc/11/76/81/370117681.db2.gz NYKAIWCVHBKNNN-CHWSQXEVSA-N 2 1 248.370 2.173 20 0 BEADMP CCOc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000252754354 370122680 /nfs/dbraw/zinc/12/26/80/370122680.db2.gz BAXMBCKYOZUBNV-GXTWGEPZSA-N 2 1 248.370 2.254 20 0 BEADMP COc1cccc([C@H](C)[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000252763349 370125261 /nfs/dbraw/zinc/12/52/61/370125261.db2.gz HLUMIFWZKIFFGL-OBJOEFQTSA-N 2 1 248.370 2.425 20 0 BEADMP CC1CC(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000621770702 370513604 /nfs/dbraw/zinc/51/36/04/370513604.db2.gz WFDRFPFFVSSKDE-ODGNXRKOSA-N 2 1 236.403 2.495 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621784431 370535630 /nfs/dbraw/zinc/53/56/30/370535630.db2.gz OVRSSUCOFLPBTB-MDZLAQPJSA-N 2 1 246.345 2.481 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+][C@@]2(C)CCCOC2)CC1(C)C ZINC000623908127 371150059 /nfs/dbraw/zinc/15/00/59/371150059.db2.gz PULIHWSOCPVZQU-OCCSQVGLSA-N 2 1 240.391 2.018 20 0 BEADMP C[N@H+]1CCCC[C@@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000624120678 371320966 /nfs/dbraw/zinc/32/09/66/371320966.db2.gz DXJKBOQHYVWPOB-LBPRGKRZSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120447 371321384 /nfs/dbraw/zinc/32/13/84/371321384.db2.gz ZKEXPWFGPDJRIO-QWHCGFSZSA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120446 371321452 /nfs/dbraw/zinc/32/14/52/371321452.db2.gz ZKEXPWFGPDJRIO-OLZOCXBDSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccccn1 ZINC000624121864 371323259 /nfs/dbraw/zinc/32/32/59/371323259.db2.gz DZENJSXNZAUYCC-KGLIPLIRSA-N 2 1 247.386 2.464 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccn1 ZINC000624121864 371323262 /nfs/dbraw/zinc/32/32/62/371323262.db2.gz DZENJSXNZAUYCC-KGLIPLIRSA-N 2 1 247.386 2.464 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)[C@H]1C ZINC000624124120 371325061 /nfs/dbraw/zinc/32/50/61/371325061.db2.gz XTDSHSXYNFRKQQ-RFGFWPKPSA-N 2 1 224.392 2.352 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC2(CCC2)C1 ZINC000162256984 371641214 /nfs/dbraw/zinc/64/12/14/371641214.db2.gz IRTCYPVMGRGTSZ-ZDUSSCGKSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC2(CCC2)C1 ZINC000162256984 371641219 /nfs/dbraw/zinc/64/12/19/371641219.db2.gz IRTCYPVMGRGTSZ-ZDUSSCGKSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC2(CCC2)C1 ZINC000162256984 371641224 /nfs/dbraw/zinc/64/12/24/371641224.db2.gz IRTCYPVMGRGTSZ-ZDUSSCGKSA-N 2 1 222.376 2.347 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H](C)O1 ZINC000631218276 372240634 /nfs/dbraw/zinc/24/06/34/372240634.db2.gz MHSCYJOFIRUHJD-LPWJVIDDSA-N 2 1 240.391 2.015 20 0 BEADMP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000631260844 372267475 /nfs/dbraw/zinc/26/74/75/372267475.db2.gz DMTPZAURYGJJCL-LNFKQOIKSA-N 2 1 248.292 2.154 20 0 BEADMP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000631260844 372267476 /nfs/dbraw/zinc/26/74/76/372267476.db2.gz DMTPZAURYGJJCL-LNFKQOIKSA-N 2 1 248.292 2.154 20 0 BEADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCCc2ncccc21 ZINC000631578252 372437089 /nfs/dbraw/zinc/43/70/89/372437089.db2.gz YUCYCJHBBFAAEV-IUODEOHRSA-N 2 1 247.386 2.389 20 0 BEADMP CCCCOCC[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631832779 372615967 /nfs/dbraw/zinc/61/59/67/372615967.db2.gz NEOSWHRTLHDBGG-ZDUSSCGKSA-N 2 1 228.380 2.006 20 0 BEADMP CCCCOCC[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631832779 372615972 /nfs/dbraw/zinc/61/59/72/372615972.db2.gz NEOSWHRTLHDBGG-ZDUSSCGKSA-N 2 1 228.380 2.006 20 0 BEADMP CCO[C@H](C[N@H+]1CCCCC[C@H]([NH3+])C1)C1CC1 ZINC000631835334 372622918 /nfs/dbraw/zinc/62/29/18/372622918.db2.gz SAWBHTAUXOWYSQ-UONOGXRCSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@H](C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C(C)(C)C ZINC000631837059 372627827 /nfs/dbraw/zinc/62/78/27/372627827.db2.gz MJDFPDORDOBHLL-IJLUTSLNSA-N 2 1 212.381 2.195 20 0 BEADMP C[C@@H](C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C(C)(C)C ZINC000631837058 372627845 /nfs/dbraw/zinc/62/78/45/372627845.db2.gz MJDFPDORDOBHLL-GRYCIOLGSA-N 2 1 212.381 2.195 20 0 BEADMP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C[NH3+] ZINC000631837832 372630183 /nfs/dbraw/zinc/63/01/83/372630183.db2.gz FYGCXUVPJRURON-VXGBXAGGSA-N 2 1 212.381 2.339 20 0 BEADMP C[C@@H]1C[N@H+](Cc2ccc(Cl)s2)C[C@H]1C[NH3+] ZINC000631838651 372631463 /nfs/dbraw/zinc/63/14/63/372631463.db2.gz SIDFNTBIXUPLCG-RKDXNWHRSA-N 2 1 244.791 2.428 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)s2)C[C@H]1C[NH3+] ZINC000631838651 372631471 /nfs/dbraw/zinc/63/14/71/372631471.db2.gz SIDFNTBIXUPLCG-RKDXNWHRSA-N 2 1 244.791 2.428 20 0 BEADMP Cc1cc(C)cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631844457 372643283 /nfs/dbraw/zinc/64/32/83/372643283.db2.gz XLDPZFZRFUFVRV-DZGCQCFKSA-N 2 1 232.371 2.330 20 0 BEADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000631873779 372675594 /nfs/dbraw/zinc/67/55/94/372675594.db2.gz WBCADJVWECMQBS-ZFWWWQNUSA-N 2 1 236.403 2.498 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631884991 372682986 /nfs/dbraw/zinc/68/29/86/372682986.db2.gz RKRRVSKXYSJTBB-STQMWFEESA-N 2 1 210.365 2.106 20 0 BEADMP CCC(CC)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890894 372686565 /nfs/dbraw/zinc/68/65/65/372686565.db2.gz UKTZBOFBJFCVSJ-UONOGXRCSA-N 2 1 224.392 2.497 20 0 BEADMP CCC(CC)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890894 372686574 /nfs/dbraw/zinc/68/65/74/372686574.db2.gz UKTZBOFBJFCVSJ-UONOGXRCSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)=CCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890285 372686619 /nfs/dbraw/zinc/68/66/19/372686619.db2.gz OIXJFNMBBZNVGT-KGLIPLIRSA-N 2 1 222.376 2.417 20 0 BEADMP CC(C)=CCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890285 372686625 /nfs/dbraw/zinc/68/66/25/372686625.db2.gz OIXJFNMBBZNVGT-KGLIPLIRSA-N 2 1 222.376 2.417 20 0 BEADMP C[C@@H](C[N@@H+](C)CCC[NH3+])C1CCCCC1 ZINC000379981675 373099949 /nfs/dbraw/zinc/09/99/49/373099949.db2.gz HSHLEADPMODECW-LBPRGKRZSA-N 2 1 212.381 2.483 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCSCC1 ZINC000161585339 205528087 /nfs/dbraw/zinc/52/80/87/205528087.db2.gz NGMYNWHOPGQRMU-NQBHXWOUSA-N 2 1 242.432 2.200 20 0 BEADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]CC1CC1 ZINC000187569667 205804331 /nfs/dbraw/zinc/80/43/31/205804331.db2.gz SOQMCFHUPYRRLO-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC2CCC1CC2 ZINC000336655138 206018922 /nfs/dbraw/zinc/01/89/22/206018922.db2.gz IKAQLNRLJOTWOY-JXQTWKCFSA-N 2 1 233.359 2.360 20 0 BEADMP Cc1cncc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424369359 206039982 /nfs/dbraw/zinc/03/99/82/206039982.db2.gz BNHSBTFBSLNCPK-MRVWCRGKSA-N 2 1 233.359 2.311 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CCC1 ZINC000156881043 206079073 /nfs/dbraw/zinc/07/90/73/206079073.db2.gz OPIWKEYDFFVUAA-MDZLAQPJSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CCC1 ZINC000156881043 206079077 /nfs/dbraw/zinc/07/90/77/206079077.db2.gz OPIWKEYDFFVUAA-MDZLAQPJSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(Cl)cc1F ZINC000220510358 134309646 /nfs/dbraw/zinc/30/96/46/134309646.db2.gz RSXGNSWDUVLPFY-QMMMGPOBSA-N 2 1 230.714 2.306 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H]1CC[C@@H]1CC ZINC000336756115 169122396 /nfs/dbraw/zinc/12/23/96/169122396.db2.gz IKCBZDWUNQABCN-STQMWFEESA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CC[C@@H]1CC ZINC000336756115 169122399 /nfs/dbraw/zinc/12/23/99/169122399.db2.gz IKCBZDWUNQABCN-STQMWFEESA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000356878280 169123102 /nfs/dbraw/zinc/12/31/02/169123102.db2.gz SRKVGKDZCPNCAW-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000356878280 169123103 /nfs/dbraw/zinc/12/31/03/169123103.db2.gz SRKVGKDZCPNCAW-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)CC ZINC000308597412 169124638 /nfs/dbraw/zinc/12/46/38/169124638.db2.gz NARQFMXKEFLPFK-VXGBXAGGSA-N 2 1 200.370 2.495 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)CC ZINC000308597412 169124640 /nfs/dbraw/zinc/12/46/40/169124640.db2.gz NARQFMXKEFLPFK-VXGBXAGGSA-N 2 1 200.370 2.495 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)Nc1cc[nH+]c(C)c1 ZINC000357773365 169127137 /nfs/dbraw/zinc/12/71/37/169127137.db2.gz GJWNCXOERBATPA-ZDUSSCGKSA-N 2 1 235.375 2.344 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000353487279 169127258 /nfs/dbraw/zinc/12/72/58/169127258.db2.gz DQSDHUIOTFLKBZ-MJBXVCDLSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000353487279 169127259 /nfs/dbraw/zinc/12/72/59/169127259.db2.gz DQSDHUIOTFLKBZ-MJBXVCDLSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@@H]1C[C@H]1C ZINC000309100199 169127576 /nfs/dbraw/zinc/12/75/76/169127576.db2.gz GJMNNIMNHSUSID-AGIUHOORSA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@@H]1C[C@H]1C ZINC000309100199 169127578 /nfs/dbraw/zinc/12/75/78/169127578.db2.gz GJMNNIMNHSUSID-AGIUHOORSA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000353487277 169127725 /nfs/dbraw/zinc/12/77/25/169127725.db2.gz DQSDHUIOTFLKBZ-IHRRRGAJSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000353487277 169127728 /nfs/dbraw/zinc/12/77/28/169127728.db2.gz DQSDHUIOTFLKBZ-IHRRRGAJSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@@H+](CC1CC1)C[C@@H]1CCC[NH2+]C1 ZINC000042491162 169138288 /nfs/dbraw/zinc/13/82/88/169138288.db2.gz BRTHZIPZORWRHM-CYBMUJFWSA-N 2 1 210.365 2.108 20 0 BEADMP CCC[N@@H+](CCC[NH+](CC)CC)CC(C)(C)O ZINC000338315904 169155874 /nfs/dbraw/zinc/15/58/74/169155874.db2.gz PUSQHTVUFYSVDR-UHFFFAOYSA-N 2 1 244.423 2.201 20 0 BEADMP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2F)CC1 ZINC000340525043 169189285 /nfs/dbraw/zinc/18/92/85/169189285.db2.gz DMRJIJGSLQXOBW-STQMWFEESA-N 2 1 228.355 2.341 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(OCC)C1 ZINC000353986455 169196452 /nfs/dbraw/zinc/19/64/52/169196452.db2.gz IVQKLAGQONAPNW-ROKHWSDSSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C1CC(OCC)C1 ZINC000353986455 169196454 /nfs/dbraw/zinc/19/64/54/169196454.db2.gz IVQKLAGQONAPNW-ROKHWSDSSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCSCC1 ZINC000336778676 169196628 /nfs/dbraw/zinc/19/66/28/169196628.db2.gz LZLMNKYJGWNPOY-CYBMUJFWSA-N 2 1 242.432 2.346 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCSCC1 ZINC000336778676 169196629 /nfs/dbraw/zinc/19/66/29/169196629.db2.gz LZLMNKYJGWNPOY-CYBMUJFWSA-N 2 1 242.432 2.346 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]CC(C)(C)COC ZINC000353129290 169196935 /nfs/dbraw/zinc/19/69/35/169196935.db2.gz UBRZINVIQHLSRY-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]CC(C)(C)COC ZINC000353129290 169196937 /nfs/dbraw/zinc/19/69/37/169196937.db2.gz UBRZINVIQHLSRY-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](C)CC ZINC000336762285 169200295 /nfs/dbraw/zinc/20/02/95/169200295.db2.gz NOZKKBWXSZPWLW-OLZOCXBDSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](C)CC ZINC000336762285 169200296 /nfs/dbraw/zinc/20/02/96/169200296.db2.gz NOZKKBWXSZPWLW-OLZOCXBDSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+]CCC(C)C)C1 ZINC000076453766 169206968 /nfs/dbraw/zinc/20/69/68/169206968.db2.gz QETFLROOSXLZSY-ZDUSSCGKSA-N 2 1 212.381 2.354 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C(C)(C)OC)C1 ZINC000340197245 169207303 /nfs/dbraw/zinc/20/73/03/169207303.db2.gz DRSAVNJZBYNLOT-STQMWFEESA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+]CCSCC)C1 ZINC000336765290 169207421 /nfs/dbraw/zinc/20/74/21/169207421.db2.gz QSFMMYVUDCVAFL-LBPRGKRZSA-N 2 1 230.421 2.061 20 0 BEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccnc2)C1 ZINC000092740494 169207875 /nfs/dbraw/zinc/20/78/75/169207875.db2.gz RJQWZKLVQPNWJF-UONOGXRCSA-N 2 1 247.386 2.464 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccnc2)C1 ZINC000092740494 169207876 /nfs/dbraw/zinc/20/78/76/169207876.db2.gz RJQWZKLVQPNWJF-UONOGXRCSA-N 2 1 247.386 2.464 20 0 BEADMP c1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)ccn1 ZINC000299313839 183348267 /nfs/dbraw/zinc/34/82/67/183348267.db2.gz GDTSLEIXQADMQG-UHFFFAOYSA-N 2 1 245.370 2.188 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)COC(C)C)C1 ZINC000337339614 169208657 /nfs/dbraw/zinc/20/86/57/169208657.db2.gz OSUIRJSHLPWNBR-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H]2CC)C1 ZINC000336782972 169209092 /nfs/dbraw/zinc/20/90/92/169209092.db2.gz ZDIVGGNMCSDJIH-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP c1cc([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)ccn1 ZINC000132294912 183361167 /nfs/dbraw/zinc/36/11/67/183361167.db2.gz UKBGIKFQLIMVDL-HNNXBMFYSA-N 2 1 245.370 2.218 20 0 BEADMP c1ccc(CC[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000082729011 183393094 /nfs/dbraw/zinc/39/30/94/183393094.db2.gz DDDAPRBYVQIKCF-HZPDHXFCSA-N 2 1 244.382 2.303 20 0 BEADMP c1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)nc1 ZINC000021950187 183397445 /nfs/dbraw/zinc/39/74/45/183397445.db2.gz ALIKBRAELLZBDL-CYBMUJFWSA-N 2 1 245.370 2.046 20 0 BEADMP c1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)nc1 ZINC000021950187 183397448 /nfs/dbraw/zinc/39/74/48/183397448.db2.gz ALIKBRAELLZBDL-CYBMUJFWSA-N 2 1 245.370 2.046 20 0 BEADMP CCC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000049709335 169282417 /nfs/dbraw/zinc/28/24/17/169282417.db2.gz SSLVMFMCBUQXMV-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[C@@H](C)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352539757 169357867 /nfs/dbraw/zinc/35/78/67/169357867.db2.gz CMAJSUOCDKYPOS-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP CC[C@H](C)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000179309689 134320023 /nfs/dbraw/zinc/32/00/23/134320023.db2.gz ZKORIVSUVXKBSW-ZDUSSCGKSA-N 2 1 212.381 2.450 20 0 BEADMP CC[NH+]1CCC([N@H+](C)CC2(SC)CC2)CC1 ZINC000347652525 535457876 /nfs/dbraw/zinc/45/78/76/535457876.db2.gz MSAFGBGDMIEGPD-UHFFFAOYSA-N 2 1 242.432 2.298 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)CC2(SC)CC2)CC1 ZINC000347652525 535457878 /nfs/dbraw/zinc/45/78/78/535457878.db2.gz MSAFGBGDMIEGPD-UHFFFAOYSA-N 2 1 242.432 2.298 20 0 BEADMP NC[C@H]1CCCC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000301020432 383847001 /nfs/dbraw/zinc/84/70/01/383847001.db2.gz ZSWOBXWADCFZCG-GHMZBOCLSA-N 2 1 232.318 2.235 20 0 BEADMP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000301020432 383847014 /nfs/dbraw/zinc/84/70/14/383847014.db2.gz ZSWOBXWADCFZCG-GHMZBOCLSA-N 2 1 232.318 2.235 20 0 BEADMP [NH3+]C[C@H]1CCCC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000301020432 383847020 /nfs/dbraw/zinc/84/70/20/383847020.db2.gz ZSWOBXWADCFZCG-GHMZBOCLSA-N 2 1 232.318 2.235 20 0 BEADMP C[N@@H+](CCc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000088243170 383888302 /nfs/dbraw/zinc/88/83/02/383888302.db2.gz HTZZTINVKYPBKB-HNNXBMFYSA-N 2 1 232.371 2.303 20 0 BEADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)C(C)C ZINC000049330425 383895442 /nfs/dbraw/zinc/89/54/42/383895442.db2.gz KDSJDWWPYCSJJG-GFCCVEGCSA-N 2 1 209.337 2.216 20 0 BEADMP CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C1 ZINC000643543516 383984407 /nfs/dbraw/zinc/98/44/07/383984407.db2.gz VOULAYUESPJFMS-MCIONIFRSA-N 2 1 240.391 2.051 20 0 BEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccncc1 ZINC000037140964 383944820 /nfs/dbraw/zinc/94/48/20/383944820.db2.gz DHNWLYIMSYDYBY-LBPRGKRZSA-N 2 1 245.370 2.359 20 0 BEADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc2c(c1)CCO2 ZINC000037213715 383959743 /nfs/dbraw/zinc/95/97/43/383959743.db2.gz VIVNVHUOHWLNPQ-GFCCVEGCSA-N 2 1 248.370 2.224 20 0 BEADMP Cc1cc(N2CCC([NH2+]C(C)C)CC2)nc(C)[nH+]1 ZINC000113247345 383974075 /nfs/dbraw/zinc/97/40/75/383974075.db2.gz ZIJBPORQWPEBTM-UHFFFAOYSA-N 2 1 248.374 2.060 20 0 BEADMP c1cnc2c(c1)CCC[C@@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000643545121 384009619 /nfs/dbraw/zinc/00/96/19/384009619.db2.gz WGIWESUAXVHEJE-AWEZNQCLSA-N 2 1 245.370 2.191 20 0 BEADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccoc1 ZINC000643545040 384009636 /nfs/dbraw/zinc/00/96/36/384009636.db2.gz YAJFQJZRYKXMTH-SNVBAGLBSA-N 2 1 208.305 2.072 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C)CCC2)[C@H](C)C1 ZINC000090219867 384035613 /nfs/dbraw/zinc/03/56/13/384035613.db2.gz IFGIANBTQISFAK-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564973527 384053770 /nfs/dbraw/zinc/05/37/70/384053770.db2.gz NRQKIIISPOKHPD-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)CC[C@@H]1[NH3+] ZINC000302380967 384156289 /nfs/dbraw/zinc/15/62/89/384156289.db2.gz IGZVMKUIJDWMAZ-UTUOFQBUSA-N 2 1 246.345 2.481 20 0 BEADMP Cc1cnccc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404265906 384166648 /nfs/dbraw/zinc/16/66/48/384166648.db2.gz HHTKPNIPEAPNGK-DOMZBBRYSA-N 2 1 247.386 2.339 20 0 BEADMP C[NH2+]CCC[N@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000309636646 384185551 /nfs/dbraw/zinc/18/55/51/384185551.db2.gz MYGIERPFAZSWBT-AGIUHOORSA-N 2 1 210.365 2.249 20 0 BEADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCC(C)(C)C1 ZINC000234335884 384178133 /nfs/dbraw/zinc/17/81/33/384178133.db2.gz RDPKKIHJHGFTRL-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000163260135 384196262 /nfs/dbraw/zinc/19/62/62/384196262.db2.gz XINJRGVYNJBMMG-DOMZBBRYSA-N 2 1 232.371 2.418 20 0 BEADMP CCCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000336531978 384232443 /nfs/dbraw/zinc/23/24/43/384232443.db2.gz RPOFLCHJOFLHMZ-UHFFFAOYSA-N 2 1 210.365 2.347 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+]1CCC1CCCCC1 ZINC000133240021 384234805 /nfs/dbraw/zinc/23/48/05/384234805.db2.gz FDBOITAWAUGMJH-CYBMUJFWSA-N 2 1 210.365 2.380 20 0 BEADMP [NH3+]C[C@H]1CCC[N@H+]1CCC1CCCCC1 ZINC000133240021 384234810 /nfs/dbraw/zinc/23/48/10/384234810.db2.gz FDBOITAWAUGMJH-CYBMUJFWSA-N 2 1 210.365 2.380 20 0 BEADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cncs1 ZINC000132249819 384222258 /nfs/dbraw/zinc/22/22/58/384222258.db2.gz WAYGJWXJUYWSIP-LLVKDONJSA-N 2 1 239.388 2.280 20 0 BEADMP CSCCC[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000173527570 384224193 /nfs/dbraw/zinc/22/41/93/384224193.db2.gz FXDIFAZOSYUKDS-NWDGAFQWSA-N 2 1 230.421 2.154 20 0 BEADMP CSCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000173527570 384224200 /nfs/dbraw/zinc/22/42/00/384224200.db2.gz FXDIFAZOSYUKDS-NWDGAFQWSA-N 2 1 230.421 2.154 20 0 BEADMP CSCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000173527570 384224209 /nfs/dbraw/zinc/22/42/09/384224209.db2.gz FXDIFAZOSYUKDS-NWDGAFQWSA-N 2 1 230.421 2.154 20 0 BEADMP CSCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000173527570 384224216 /nfs/dbraw/zinc/22/42/16/384224216.db2.gz FXDIFAZOSYUKDS-NWDGAFQWSA-N 2 1 230.421 2.154 20 0 BEADMP CSCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000173527570 384224222 /nfs/dbraw/zinc/22/42/22/384224222.db2.gz FXDIFAZOSYUKDS-NWDGAFQWSA-N 2 1 230.421 2.154 20 0 BEADMP Cc1cc[nH+]c(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000278858156 384249537 /nfs/dbraw/zinc/24/95/37/384249537.db2.gz WBYWONVHXHBKMO-YHWZYXNKSA-N 2 1 231.343 2.427 20 0 BEADMP Cc1cc[nH+]c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000278858156 384249544 /nfs/dbraw/zinc/24/95/44/384249544.db2.gz WBYWONVHXHBKMO-YHWZYXNKSA-N 2 1 231.343 2.427 20 0 BEADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccccc1N(C)C ZINC000093941152 384282661 /nfs/dbraw/zinc/28/26/61/384282661.db2.gz QVKQKJWILYQWOO-CYBMUJFWSA-N 2 1 249.402 2.355 20 0 BEADMP CCC[C@H](C)[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000300055978 384283017 /nfs/dbraw/zinc/28/30/17/384283017.db2.gz LWNBUPILRFOOJA-AVGNSLFASA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccco1 ZINC000168719106 384300519 /nfs/dbraw/zinc/30/05/19/384300519.db2.gz LUWVHJDHMSWQOK-MNOVXSKESA-N 2 1 208.305 2.072 20 0 BEADMP CC[C@@H](C)C[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000083863415 384344905 /nfs/dbraw/zinc/34/49/05/384344905.db2.gz LLAPWQDVRWRQAM-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)CO1 ZINC000401975652 384355939 /nfs/dbraw/zinc/35/59/39/384355939.db2.gz TYHVZPFCXWSQAL-MGPQQGTHSA-N 2 1 240.391 2.018 20 0 BEADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)CC(C)(C)C ZINC000120497668 384358765 /nfs/dbraw/zinc/35/87/65/384358765.db2.gz FIXNWEYKALBDPE-LBPRGKRZSA-N 2 1 212.381 2.449 20 0 BEADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)CC(C)(C)C ZINC000120497668 384358774 /nfs/dbraw/zinc/35/87/74/384358774.db2.gz FIXNWEYKALBDPE-LBPRGKRZSA-N 2 1 212.381 2.449 20 0 BEADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)CC(C)(C)C ZINC000120497668 384358776 /nfs/dbraw/zinc/35/87/76/384358776.db2.gz FIXNWEYKALBDPE-LBPRGKRZSA-N 2 1 212.381 2.449 20 0 BEADMP CCC(C)(C)[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000556419534 384374232 /nfs/dbraw/zinc/37/42/32/384374232.db2.gz CZNDWHXARCMWFQ-NSHDSACASA-N 2 1 212.381 2.495 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000229060492 384415983 /nfs/dbraw/zinc/41/59/83/384415983.db2.gz CZTNHRXIRRGYBT-NWDGAFQWSA-N 2 1 236.334 2.303 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2CC23CCCC3)CC1 ZINC000335602274 384376398 /nfs/dbraw/zinc/37/63/98/384376398.db2.gz AOUSZKFIMVBTKB-GFCCVEGCSA-N 2 1 208.349 2.003 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2CC23CCCC3)CC1 ZINC000335602275 384376569 /nfs/dbraw/zinc/37/65/69/384376569.db2.gz AOUSZKFIMVBTKB-LBPRGKRZSA-N 2 1 208.349 2.003 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC23CCC3)CC1 ZINC000335602319 384378009 /nfs/dbraw/zinc/37/80/09/384378009.db2.gz QCMMQMGGPVTGSN-CYBMUJFWSA-N 2 1 220.360 2.171 20 0 BEADMP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1c[nH+]ccc1N ZINC000566103999 384444912 /nfs/dbraw/zinc/44/49/12/384444912.db2.gz WJAYXVXRAUMNQP-OLUVUFQESA-N 2 1 231.343 2.333 20 0 BEADMP CC[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000449433340 384449836 /nfs/dbraw/zinc/44/98/36/384449836.db2.gz LYNQOLZSQUNUKU-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000393561295 384467735 /nfs/dbraw/zinc/46/77/35/384467735.db2.gz ONGGRQRKKHLWRI-FVCCEPFGSA-N 2 1 210.365 2.105 20 0 BEADMP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000393561295 384467738 /nfs/dbraw/zinc/46/77/38/384467738.db2.gz ONGGRQRKKHLWRI-FVCCEPFGSA-N 2 1 210.365 2.105 20 0 BEADMP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000393561296 384467975 /nfs/dbraw/zinc/46/79/75/384467975.db2.gz ONGGRQRKKHLWRI-QNWHQSFQSA-N 2 1 210.365 2.105 20 0 BEADMP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000393561296 384467981 /nfs/dbraw/zinc/46/79/81/384467981.db2.gz ONGGRQRKKHLWRI-QNWHQSFQSA-N 2 1 210.365 2.105 20 0 BEADMP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000393561294 384468585 /nfs/dbraw/zinc/46/85/85/384468585.db2.gz ONGGRQRKKHLWRI-FDYHWXHSSA-N 2 1 210.365 2.105 20 0 BEADMP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000393561294 384468590 /nfs/dbraw/zinc/46/85/90/384468590.db2.gz ONGGRQRKKHLWRI-FDYHWXHSSA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)([NH3+])C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000335044112 384514041 /nfs/dbraw/zinc/51/40/41/384514041.db2.gz SVGXSGFAVKIMIR-GFCCVEGCSA-N 2 1 222.307 2.140 20 0 BEADMP CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)C1CCC1 ZINC000449080496 384536531 /nfs/dbraw/zinc/53/65/31/384536531.db2.gz WQWYDVGZVFHYNK-AWEZNQCLSA-N 2 1 242.407 2.123 20 0 BEADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccsc1 ZINC000019905723 384556813 /nfs/dbraw/zinc/55/68/13/384556813.db2.gz SXOMAJRQYUUMJH-UHFFFAOYSA-N 2 1 226.389 2.426 20 0 BEADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc(O)c1 ZINC000019905892 384557620 /nfs/dbraw/zinc/55/76/20/384557620.db2.gz YDWMWUZLEGQQNB-UHFFFAOYSA-N 2 1 236.359 2.070 20 0 BEADMP C[C@H]([NH2+]CCC[NH+](C)C)c1cccs1 ZINC000019958525 384563290 /nfs/dbraw/zinc/56/32/90/384563290.db2.gz SGKXPXZKHPMGKS-JTQLQIEISA-N 2 1 212.362 2.350 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1C[NH3+] ZINC000306053942 384568542 /nfs/dbraw/zinc/56/85/42/384568542.db2.gz WXWNKODGXHLZMY-IJLUTSLNSA-N 2 1 246.345 2.339 20 0 BEADMP C(C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)C1CCCC1 ZINC000643065555 384577095 /nfs/dbraw/zinc/57/70/95/384577095.db2.gz CQCKIACQCNNWOI-UONOGXRCSA-N 2 1 222.376 2.251 20 0 BEADMP C(C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)C1CCCC1 ZINC000643065555 384577101 /nfs/dbraw/zinc/57/71/01/384577101.db2.gz CQCKIACQCNNWOI-UONOGXRCSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccs1 ZINC000020148193 384585108 /nfs/dbraw/zinc/58/51/08/384585108.db2.gz VLPYSXDXDSXJEM-SNVBAGLBSA-N 2 1 224.373 2.493 20 0 BEADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(F)cc1 ZINC000019958573 384563837 /nfs/dbraw/zinc/56/38/37/384563837.db2.gz ZOPNEBSCGJCRQP-NSHDSACASA-N 2 1 224.323 2.428 20 0 BEADMP C[N@H+](CCC[NH+]1CCCC1)CCc1ccccn1 ZINC000162402527 384614055 /nfs/dbraw/zinc/61/40/55/384614055.db2.gz QAUHKHTZMOAGRG-UHFFFAOYSA-N 2 1 247.386 2.042 20 0 BEADMP C[N@@H+](CCC[NH+]1CCCC1)CCc1ccccn1 ZINC000162402527 384614060 /nfs/dbraw/zinc/61/40/60/384614060.db2.gz QAUHKHTZMOAGRG-UHFFFAOYSA-N 2 1 247.386 2.042 20 0 BEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000564821984 384620698 /nfs/dbraw/zinc/62/06/98/384620698.db2.gz AVMBTEZDJNYGRX-LBPRGKRZSA-N 2 1 238.379 2.114 20 0 BEADMP CC(C)[NH2+]C1CC[NH+](CCOC(C)(C)C)CC1 ZINC000171693048 384630483 /nfs/dbraw/zinc/63/04/83/384630483.db2.gz NLDAWGCWMJMEAD-UHFFFAOYSA-N 2 1 242.407 2.264 20 0 BEADMP CC(C)CSCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000309608939 384638270 /nfs/dbraw/zinc/63/82/70/384638270.db2.gz MBKQQQBOXFRGLF-CHWSQXEVSA-N 2 1 244.448 2.448 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC000300896324 384638608 /nfs/dbraw/zinc/63/86/08/384638608.db2.gz QGPQAXIKNMGPCI-VXGBXAGGSA-N 2 1 212.381 2.482 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(F)c2)CC1 ZINC000271875021 384646417 /nfs/dbraw/zinc/64/64/17/384646417.db2.gz ZCNDJMVQJZYDAV-UHFFFAOYSA-N 2 1 234.318 2.177 20 0 BEADMP C([NH2+]C[C@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000403385778 384647475 /nfs/dbraw/zinc/64/74/75/384647475.db2.gz QZCKMRSNDYFGMZ-XQLPTFJDSA-N 2 1 248.414 2.497 20 0 BEADMP C[N@@H+](CCC1CC1)CC[C@H]1CCC[NH+]1C ZINC000162615727 384651677 /nfs/dbraw/zinc/65/16/77/384651677.db2.gz BOEXXRDDZKDPBR-CYBMUJFWSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+](CCC1CC1)CC[C@H]1CCC[N@@H+]1C ZINC000162615727 384651681 /nfs/dbraw/zinc/65/16/81/384651681.db2.gz BOEXXRDDZKDPBR-CYBMUJFWSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+](CCC1CC1)CC[C@H]1CCC[N@H+]1C ZINC000162615727 384651684 /nfs/dbraw/zinc/65/16/84/384651684.db2.gz BOEXXRDDZKDPBR-CYBMUJFWSA-N 2 1 210.365 2.203 20 0 BEADMP CC(C)([NH3+])C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000647537938 384654782 /nfs/dbraw/zinc/65/47/82/384654782.db2.gz ZYKDNUZPXUZUEX-CYBMUJFWSA-N 2 1 234.343 2.266 20 0 BEADMP CC(C)([NH3+])C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000647537938 384654787 /nfs/dbraw/zinc/65/47/87/384654787.db2.gz ZYKDNUZPXUZUEX-CYBMUJFWSA-N 2 1 234.343 2.266 20 0 BEADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC000044535267 384657844 /nfs/dbraw/zinc/65/78/44/384657844.db2.gz AWAOOBJZVPXAOG-LLVKDONJSA-N 2 1 224.373 2.180 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC000044535267 384657846 /nfs/dbraw/zinc/65/78/46/384657846.db2.gz AWAOOBJZVPXAOG-LLVKDONJSA-N 2 1 224.373 2.180 20 0 BEADMP Cc1ccncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000162652205 384659127 /nfs/dbraw/zinc/65/91/27/384659127.db2.gz RLRUHEIVGGJSGG-GOOCMWNKSA-N 2 1 245.370 2.105 20 0 BEADMP Cc1ccncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000162652205 384659137 /nfs/dbraw/zinc/65/91/37/384659137.db2.gz RLRUHEIVGGJSGG-GOOCMWNKSA-N 2 1 245.370 2.105 20 0 BEADMP CC1(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647542818 384703480 /nfs/dbraw/zinc/70/34/80/384703480.db2.gz CKOIFMOWLOMTAG-KGLIPLIRSA-N 2 1 236.403 2.498 20 0 BEADMP CC(C)C[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000308457476 384733386 /nfs/dbraw/zinc/73/33/86/384733386.db2.gz FFHDFSNZBZLHPK-RYUDHWBXSA-N 2 1 200.370 2.384 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000423264706 384783500 /nfs/dbraw/zinc/78/35/00/384783500.db2.gz QDXOYYCOHCPOTK-FRRDWIJNSA-N 2 1 212.381 2.384 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000105480648 384783615 /nfs/dbraw/zinc/78/36/15/384783615.db2.gz JPRHVNFZRMBVTD-GWCFXTLKSA-N 2 1 238.400 2.486 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000105480648 384783620 /nfs/dbraw/zinc/78/36/20/384783620.db2.gz JPRHVNFZRMBVTD-GWCFXTLKSA-N 2 1 238.400 2.486 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+]C(C1CC1)C1CC1 ZINC000053377579 384784492 /nfs/dbraw/zinc/78/44/92/384784492.db2.gz NZQLYYNAKPAQJM-NSHDSACASA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C(C1CC1)C1CC1 ZINC000053377579 384784500 /nfs/dbraw/zinc/78/45/00/384784500.db2.gz NZQLYYNAKPAQJM-NSHDSACASA-N 2 1 224.392 2.495 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000423297076 384788723 /nfs/dbraw/zinc/78/87/23/384788723.db2.gz IQRDURJDANMXHL-AGIUHOORSA-N 2 1 210.365 2.282 20 0 BEADMP CCC1CC([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000310039800 384809742 /nfs/dbraw/zinc/80/97/42/384809742.db2.gz XKJGOVHRYOAZGG-UHFFFAOYSA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[C@H]1C)[NH+]1CCCC1 ZINC000336674452 384873057 /nfs/dbraw/zinc/87/30/57/384873057.db2.gz BGVXWAATOQXBDF-REWJHTLYSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH+](C)CC1 ZINC000147654588 384849852 /nfs/dbraw/zinc/84/98/52/384849852.db2.gz NZOWHLULYIRHIF-LBPRGKRZSA-N 2 1 248.370 2.007 20 0 BEADMP C[NH+]1CCC([NH2+]C2(Cc3ccccc3)CC2)CC1 ZINC000186586391 384856891 /nfs/dbraw/zinc/85/68/91/384856891.db2.gz BNIOOBAOIFSKOZ-UHFFFAOYSA-N 2 1 244.382 2.446 20 0 BEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CC1CCC1 ZINC000308616276 384867882 /nfs/dbraw/zinc/86/78/82/384867882.db2.gz WJMXRDNYVCAQKZ-UHFFFAOYSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@H](CC1CC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119696978 384952466 /nfs/dbraw/zinc/95/24/66/384952466.db2.gz JHESFHDIBWIWSO-LLVKDONJSA-N 2 1 222.376 2.391 20 0 BEADMP CC(C)([NH3+])C[NH2+]Cc1coc2ccccc12 ZINC000258943621 384952835 /nfs/dbraw/zinc/95/28/35/384952835.db2.gz WKEGZLVXUFUWCY-UHFFFAOYSA-N 2 1 218.300 2.260 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC1CCCCC1 ZINC000049710728 384897630 /nfs/dbraw/zinc/89/76/30/384897630.db2.gz NFMMOBFVRUZEOH-DGCLKSJQSA-N 2 1 210.365 2.378 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000049707623 384899497 /nfs/dbraw/zinc/89/94/97/384899497.db2.gz DJYGJKUQAAIGTJ-AAEUAGOBSA-N 2 1 234.343 2.007 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)[C@H](C)[NH3+] ZINC000423447064 384899707 /nfs/dbraw/zinc/89/97/07/384899707.db2.gz OSPSHXWFVPPGJI-RWEMILLDSA-N 2 1 222.307 2.138 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000111763713 384902810 /nfs/dbraw/zinc/90/28/10/384902810.db2.gz HUMWVAHQAOEDDW-WCQYABFASA-N 2 1 236.334 2.385 20 0 BEADMP CC[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000251613280 384918348 /nfs/dbraw/zinc/91/83/48/384918348.db2.gz DQMJOFRFMSIZNX-STQMWFEESA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156682391 384927798 /nfs/dbraw/zinc/92/77/98/384927798.db2.gz WJJRVLVDCCSGMU-DGAVXFQQSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156682391 384927807 /nfs/dbraw/zinc/92/78/07/384927807.db2.gz WJJRVLVDCCSGMU-DGAVXFQQSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccoc1 ZINC000087290074 384935620 /nfs/dbraw/zinc/93/56/20/384935620.db2.gz GIVRKPQGKQCSNU-RYUDHWBXSA-N 2 1 222.332 2.272 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccoc1 ZINC000087290074 384935632 /nfs/dbraw/zinc/93/56/32/384935632.db2.gz GIVRKPQGKQCSNU-RYUDHWBXSA-N 2 1 222.332 2.272 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccoc1 ZINC000087290074 384935637 /nfs/dbraw/zinc/93/56/37/384935637.db2.gz GIVRKPQGKQCSNU-RYUDHWBXSA-N 2 1 222.332 2.272 20 0 BEADMP Cc1cncc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000404315866 384969114 /nfs/dbraw/zinc/96/91/14/384969114.db2.gz ZZDRSZXLILVDGA-UKRRQHHQSA-N 2 1 247.386 2.339 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)c2cccnc2)C1 ZINC000226330426 384982362 /nfs/dbraw/zinc/98/23/62/384982362.db2.gz VFUWQVSYVZGFEA-SGMGOOAPSA-N 2 1 233.359 2.202 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000128034867 384983352 /nfs/dbraw/zinc/98/33/52/384983352.db2.gz SNISPNVAIXQXNM-LSDHHAIUSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000128034867 384983362 /nfs/dbraw/zinc/98/33/62/384983362.db2.gz SNISPNVAIXQXNM-LSDHHAIUSA-N 2 1 245.370 2.106 20 0 BEADMP CC(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)CS1 ZINC000336491085 385005486 /nfs/dbraw/zinc/00/54/86/385005486.db2.gz HHSJVJFDGRFHCW-QWHCGFSZSA-N 2 1 242.432 2.200 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)C1CCCC1 ZINC000423516868 385012075 /nfs/dbraw/zinc/01/20/75/385012075.db2.gz YGAPKTZBVLPPJG-IHRRRGAJSA-N 2 1 222.376 2.282 20 0 BEADMP CC(C)C1([NH2+]CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000339521303 385012976 /nfs/dbraw/zinc/01/29/76/385012976.db2.gz JZKQEWAFRLAUMJ-LBPRGKRZSA-N 2 1 210.365 2.249 20 0 BEADMP C[N@@H+](CCc1cccs1)CC1CC[NH2+]CC1 ZINC000086440984 385017655 /nfs/dbraw/zinc/01/76/55/385017655.db2.gz YVEDSCYMMQDWJI-UHFFFAOYSA-N 2 1 238.400 2.222 20 0 BEADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000404736398 385048051 /nfs/dbraw/zinc/04/80/51/385048051.db2.gz AACCIRFEWLLAKH-NEPJUHHUSA-N 2 1 240.297 2.180 20 0 BEADMP CC1(C)[C@H]([NH2+]Cc2ccc(F)c(F)c2)C[C@@H]1[NH3+] ZINC000404736404 385049410 /nfs/dbraw/zinc/04/94/10/385049410.db2.gz AACCIRFEWLLAKH-NWDGAFQWSA-N 2 1 240.297 2.180 20 0 BEADMP C[C@H](CNc1cc[nH+]cc1Cl)[NH+](C)C ZINC000086833077 385052557 /nfs/dbraw/zinc/05/25/57/385052557.db2.gz XYCUWMLMSBMSIL-MRVPVSSYSA-N 2 1 213.712 2.097 20 0 BEADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccccc1F ZINC000404806679 385077058 /nfs/dbraw/zinc/07/70/58/385077058.db2.gz ZCMRCCVHDHZRGY-NEPJUHHUSA-N 2 1 222.307 2.041 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000157116092 385078289 /nfs/dbraw/zinc/07/82/89/385078289.db2.gz CZTNHRXIRRGYBT-NEPJUHHUSA-N 2 1 236.334 2.303 20 0 BEADMP COC[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)C(C)C ZINC000086700179 385039469 /nfs/dbraw/zinc/03/94/69/385039469.db2.gz IBXWHIZYGKGFTE-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP Cc1cc(F)ccc1C[NH2+]CCC[NH+]1CCC1 ZINC000516663002 385121936 /nfs/dbraw/zinc/12/19/36/385121936.db2.gz BEGDKIAZJLJFTL-UHFFFAOYSA-N 2 1 236.334 2.320 20 0 BEADMP COCc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000227056108 385085844 /nfs/dbraw/zinc/08/58/44/385085844.db2.gz ZQNBPLZTTNPUAA-SWLSCSKDSA-N 2 1 248.370 2.002 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CCC1 ZINC000177943968 385140722 /nfs/dbraw/zinc/14/07/22/385140722.db2.gz FHNBTYNGADTUSR-NWDGAFQWSA-N 2 1 222.376 2.249 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000308823640 385194286 /nfs/dbraw/zinc/19/42/86/385194286.db2.gz HFEDIZAONRTMOW-QWHCGFSZSA-N 2 1 210.365 2.106 20 0 BEADMP c1ccc2c(c1)CCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000062944715 385195898 /nfs/dbraw/zinc/19/58/98/385195898.db2.gz MNUVWPRKOCRSNA-UHFFFAOYSA-N 2 1 244.382 2.434 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC23CC3)[C@@H]2CCC[C@H]21 ZINC000424321270 385163378 /nfs/dbraw/zinc/16/33/78/385163378.db2.gz KCMFLPRVTBXEMI-WUHRBBMRSA-N 2 1 220.360 2.001 20 0 BEADMP C[C@H](c1ccncc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000644784182 385170037 /nfs/dbraw/zinc/17/00/37/385170037.db2.gz IRRRTCSORHGISY-UKRRQHHQSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@H](c1ccncc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000644784182 385170043 /nfs/dbraw/zinc/17/00/43/385170043.db2.gz IRRRTCSORHGISY-UKRRQHHQSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@H](c1ccncc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000644784182 385170049 /nfs/dbraw/zinc/17/00/49/385170049.db2.gz IRRRTCSORHGISY-UKRRQHHQSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@H](c1ccncc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000644784182 385170059 /nfs/dbraw/zinc/17/00/59/385170059.db2.gz IRRRTCSORHGISY-UKRRQHHQSA-N 2 1 245.370 2.170 20 0 BEADMP Cc1cccnc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482702 385210305 /nfs/dbraw/zinc/21/03/05/385210305.db2.gz ZEKMJAMZKBXUGM-UHFFFAOYSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1cccnc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482702 385210310 /nfs/dbraw/zinc/21/03/10/385210310.db2.gz ZEKMJAMZKBXUGM-UHFFFAOYSA-N 2 1 245.370 2.106 20 0 BEADMP CC1(C)CCC[N@@H+]1CC[NH2+]C[C@H]1CCSC1 ZINC000449779000 385217417 /nfs/dbraw/zinc/21/74/17/385217417.db2.gz CNBHOBMCNZHKNS-GFCCVEGCSA-N 2 1 242.432 2.204 20 0 BEADMP CC1(C)CCC[N@H+]1CC[NH2+]C[C@H]1CCSC1 ZINC000449779000 385217420 /nfs/dbraw/zinc/21/74/20/385217420.db2.gz CNBHOBMCNZHKNS-GFCCVEGCSA-N 2 1 242.432 2.204 20 0 BEADMP C[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](C)CC1 ZINC000161520714 385228940 /nfs/dbraw/zinc/22/89/40/385228940.db2.gz YEOQXGFBMRJPLD-MRVPVSSYSA-N 2 1 224.270 2.011 20 0 BEADMP CC[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000108324289 385232719 /nfs/dbraw/zinc/23/27/19/385232719.db2.gz STPGQGKHNXUXEP-LBPRGKRZSA-N 2 1 210.365 2.108 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304562939 385238809 /nfs/dbraw/zinc/23/88/09/385238809.db2.gz LOBJZUAVAZXHEG-FQUUOJAGSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@@H](CC1CC1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000308875319 385242133 /nfs/dbraw/zinc/24/21/33/385242133.db2.gz SCDHGTOLXHYREZ-NSHDSACASA-N 2 1 208.349 2.027 20 0 BEADMP CCc1cc(NC[C@H](C)[N@H+](C)C2CC2)nc(C)[nH+]1 ZINC000227865337 385264601 /nfs/dbraw/zinc/26/46/01/385264601.db2.gz DMQGWXXNDQFYMK-JTQLQIEISA-N 2 1 248.374 2.242 20 0 BEADMP CCc1cc(NC[C@H](C)[N@@H+](C)C2CC2)nc(C)[nH+]1 ZINC000227865337 385264611 /nfs/dbraw/zinc/26/46/11/385264611.db2.gz DMQGWXXNDQFYMK-JTQLQIEISA-N 2 1 248.374 2.242 20 0 BEADMP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1F ZINC000110978777 385265367 /nfs/dbraw/zinc/26/53/67/385265367.db2.gz VFKMFWCVACHQGE-CYBMUJFWSA-N 2 1 236.334 2.305 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1F ZINC000110978777 385265370 /nfs/dbraw/zinc/26/53/70/385265370.db2.gz VFKMFWCVACHQGE-CYBMUJFWSA-N 2 1 236.334 2.305 20 0 BEADMP CC(C)(C[N@H+]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000647490638 385282677 /nfs/dbraw/zinc/28/26/77/385282677.db2.gz FSMZCQTZCMQCDG-ZDUSSCGKSA-N 2 1 232.371 2.245 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000647490891 385282964 /nfs/dbraw/zinc/28/29/64/385282964.db2.gz WZPHRBDLOQOUKY-LBPRGKRZSA-N 2 1 241.338 2.015 20 0 BEADMP C[C@H]1C[C@H](C)[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000157893674 385300540 /nfs/dbraw/zinc/30/05/40/385300540.db2.gz MCRPDVMSLZZPJJ-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000131482227 385337985 /nfs/dbraw/zinc/33/79/85/385337985.db2.gz LJILVTIAJYBSFR-MWLCHTKSSA-N 2 1 240.297 2.134 20 0 BEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)c(F)c1 ZINC000131482227 385337993 /nfs/dbraw/zinc/33/79/93/385337993.db2.gz LJILVTIAJYBSFR-MWLCHTKSSA-N 2 1 240.297 2.134 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c(C)c1 ZINC000228149014 385349001 /nfs/dbraw/zinc/34/90/01/385349001.db2.gz LLTNFRPXZNJWMF-ZFWWWQNUSA-N 2 1 232.371 2.473 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CCSC)[C@H](C)C1 ZINC000178978704 385355097 /nfs/dbraw/zinc/35/50/97/385355097.db2.gz MGALPTRIMWGCIE-NEPJUHHUSA-N 2 1 230.421 2.012 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CCSC)[C@H](C)C1 ZINC000178978704 385355100 /nfs/dbraw/zinc/35/51/00/385355100.db2.gz MGALPTRIMWGCIE-NEPJUHHUSA-N 2 1 230.421 2.012 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCSC)[C@H](C)C1 ZINC000178978704 385355103 /nfs/dbraw/zinc/35/51/03/385355103.db2.gz MGALPTRIMWGCIE-NEPJUHHUSA-N 2 1 230.421 2.012 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000228203207 385363085 /nfs/dbraw/zinc/36/30/85/385363085.db2.gz NPBQKRQRYPCKBR-UONOGXRCSA-N 2 1 232.371 2.473 20 0 BEADMP C[NH2+]C[C@H](C)CNc1cc[nH+]cc1Cl ZINC000168360759 385364427 /nfs/dbraw/zinc/36/44/27/385364427.db2.gz BFJDHTKWKSBXME-QMMMGPOBSA-N 2 1 213.712 2.002 20 0 BEADMP CC[NH+](CC)[C@@H](C)C[NH2+]C[C@H]1CCSC1 ZINC000309035241 385382760 /nfs/dbraw/zinc/38/27/60/385382760.db2.gz HRWGPACJVISMTG-NWDGAFQWSA-N 2 1 230.421 2.059 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC2(C)CCC2)CC[N@H+]1C ZINC000181243979 385404432 /nfs/dbraw/zinc/40/44/32/385404432.db2.gz ACEFXFRSGWKDBZ-VXGBXAGGSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000309075397 385406018 /nfs/dbraw/zinc/40/60/18/385406018.db2.gz JRNMQYZXWATVMF-NEPJUHHUSA-N 2 1 230.421 2.058 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000309075397 385406021 /nfs/dbraw/zinc/40/60/21/385406021.db2.gz JRNMQYZXWATVMF-NEPJUHHUSA-N 2 1 230.421 2.058 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000309094955 385406313 /nfs/dbraw/zinc/40/63/13/385406313.db2.gz GFJVJBADYYYHHX-FRRDWIJNSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000309094955 385406318 /nfs/dbraw/zinc/40/63/18/385406318.db2.gz GFJVJBADYYYHHX-FRRDWIJNSA-N 2 1 212.381 2.493 20 0 BEADMP CCC1CC([NH2+]C[C@H](C)[NH+](CC)CC)C1 ZINC000309098260 385407622 /nfs/dbraw/zinc/40/76/22/385407622.db2.gz FSCZZZWOVQNJTG-HIFPTAJRSA-N 2 1 212.381 2.495 20 0 BEADMP CCC1CC([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000309169992 385447638 /nfs/dbraw/zinc/44/76/38/385447638.db2.gz KYTCLGLLONVEEQ-UHFFFAOYSA-N 2 1 208.349 2.027 20 0 BEADMP CC[N@H+](CC[NH2+][C@@H](C)C1(C)CC1)C(C)C ZINC000156632611 385461731 /nfs/dbraw/zinc/46/17/31/385461731.db2.gz DMAPIPKBLYIXON-LBPRGKRZSA-N 2 1 212.381 2.495 20 0 BEADMP CC[N@@H+](CC[NH2+][C@@H](C)C1(C)CC1)C(C)C ZINC000156632611 385461735 /nfs/dbraw/zinc/46/17/35/385461735.db2.gz DMAPIPKBLYIXON-LBPRGKRZSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000309246942 385498957 /nfs/dbraw/zinc/49/89/57/385498957.db2.gz CMSLCOBUKKRLMP-MELADBBJSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)[C@H]1C ZINC000309257500 385501361 /nfs/dbraw/zinc/50/13/61/385501361.db2.gz ARKMMSNHEBZPSY-MBNYWOFBSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)[C@H]1C ZINC000309257500 385501363 /nfs/dbraw/zinc/50/13/63/385501363.db2.gz ARKMMSNHEBZPSY-MBNYWOFBSA-N 2 1 224.392 2.495 20 0 BEADMP CCc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000309256910 385501877 /nfs/dbraw/zinc/50/18/77/385501877.db2.gz CLTRLSNCYUMISR-FZMZJTMJSA-N 2 1 218.344 2.171 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000309256910 385501883 /nfs/dbraw/zinc/50/18/83/385501883.db2.gz CLTRLSNCYUMISR-FZMZJTMJSA-N 2 1 218.344 2.171 20 0 BEADMP CN(c1cc[nH+]c2ccsc21)[C@@H]1CC[NH2+]C1 ZINC000643007079 385504091 /nfs/dbraw/zinc/50/40/91/385504091.db2.gz ZBPAVJYWCJLDGG-SECBINFHSA-N 2 1 233.340 2.094 20 0 BEADMP CC1(C)CC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000309371250 385554424 /nfs/dbraw/zinc/55/44/24/385554424.db2.gz BZWVDASKOFNOOB-YPMHNXCESA-N 2 1 222.376 2.391 20 0 BEADMP Cc1[nH+]ccc(NCC[N@H+](C)C(C)C)c1Cl ZINC000336650088 385603000 /nfs/dbraw/zinc/60/30/00/385603000.db2.gz HJIGGIXOSUPUQN-UHFFFAOYSA-N 2 1 241.766 2.217 20 0 BEADMP C[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C1CC1 ZINC000063074025 385591250 /nfs/dbraw/zinc/59/12/50/385591250.db2.gz ZBMHRBCDQCMLIC-LLVKDONJSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)C1CC1 ZINC000063074025 385591252 /nfs/dbraw/zinc/59/12/52/385591252.db2.gz ZBMHRBCDQCMLIC-LLVKDONJSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccnc1 ZINC000181656310 385592540 /nfs/dbraw/zinc/59/25/40/385592540.db2.gz NQQONUPJSLRVTI-TZMCWYRMSA-N 2 1 233.359 2.217 20 0 BEADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccnc1 ZINC000181656310 385592541 /nfs/dbraw/zinc/59/25/41/385592541.db2.gz NQQONUPJSLRVTI-TZMCWYRMSA-N 2 1 233.359 2.217 20 0 BEADMP Cc1ccncc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000280860438 385612925 /nfs/dbraw/zinc/61/29/25/385612925.db2.gz LYRBRNWKGPHLNH-LSDHHAIUSA-N 2 1 247.386 2.352 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000337411572 385643140 /nfs/dbraw/zinc/64/31/40/385643140.db2.gz XGMNMAVCEAKQPO-BFHYXJOUSA-N 2 1 233.359 2.360 20 0 BEADMP CC(C)([NH3+])C[N@H+](Cc1ccccc1)C1CC1 ZINC000307140727 385660475 /nfs/dbraw/zinc/66/04/75/385660475.db2.gz BEUJKWDGAHNLNR-UHFFFAOYSA-N 2 1 218.344 2.388 20 0 BEADMP CC(C)([NH3+])C[N@@H+](Cc1ccccc1)C1CC1 ZINC000307140727 385660481 /nfs/dbraw/zinc/66/04/81/385660481.db2.gz BEUJKWDGAHNLNR-UHFFFAOYSA-N 2 1 218.344 2.388 20 0 BEADMP CCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020523813 385673088 /nfs/dbraw/zinc/67/30/88/385673088.db2.gz CPXDLEUJNIEIRU-WODVXLOZSA-N 2 1 210.365 2.390 20 0 BEADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C[C@H]1C[C@@H]1C ZINC000309543201 385680259 /nfs/dbraw/zinc/68/02/59/385680259.db2.gz GGFNPRGMBSLKEU-ZOBORPQBSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C[C@H]1C[C@@H]1C ZINC000309543201 385680264 /nfs/dbraw/zinc/68/02/64/385680264.db2.gz GGFNPRGMBSLKEU-ZOBORPQBSA-N 2 1 224.392 2.352 20 0 BEADMP CC[C@@H]1C[C@@H](C[NH2+][C@H](C[NH3+])CC(C)C)CCO1 ZINC000414853132 385684674 /nfs/dbraw/zinc/68/46/74/385684674.db2.gz RWPYICPIWQGKJX-MELADBBJSA-N 2 1 242.407 2.155 20 0 BEADMP [NH3+]C[C@@H]([NH2+][C@H]1CCCOCC1)C1CCCCC1 ZINC000414853717 385688752 /nfs/dbraw/zinc/68/87/52/385688752.db2.gz SVKGZPCWPZEQRC-UONOGXRCSA-N 2 1 240.391 2.053 20 0 BEADMP Cc1cccc(C[NH2+][C@@H](C[NH3+])CC(C)C)c1 ZINC000414854383 385692874 /nfs/dbraw/zinc/69/28/74/385692874.db2.gz UZCSKLMWBITNKO-CQSZACIVSA-N 2 1 220.360 2.458 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000488291046 385734679 /nfs/dbraw/zinc/73/46/79/385734679.db2.gz GVRPXNXETTZCDX-RDBSUJKOSA-N 2 1 222.376 2.060 20 0 BEADMP CC(C)CSCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000309608942 385739832 /nfs/dbraw/zinc/73/98/32/385739832.db2.gz MBKQQQBOXFRGLF-STQMWFEESA-N 2 1 244.448 2.448 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414944967 385786335 /nfs/dbraw/zinc/78/63/35/385786335.db2.gz OXOOBEMRXSSOGI-QEJZJMRPSA-N 2 1 232.371 2.434 20 0 BEADMP CC(C)CCC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000363854203 385747644 /nfs/dbraw/zinc/74/76/44/385747644.db2.gz MXILQICIJBYOFT-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000363854203 385747648 /nfs/dbraw/zinc/74/76/48/385747648.db2.gz MXILQICIJBYOFT-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CCC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000363854203 385747651 /nfs/dbraw/zinc/74/76/51/385747651.db2.gz MXILQICIJBYOFT-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CCC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000363854203 385747654 /nfs/dbraw/zinc/74/76/54/385747654.db2.gz MXILQICIJBYOFT-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CCC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000363854204 385747804 /nfs/dbraw/zinc/74/78/04/385747804.db2.gz MXILQICIJBYOFT-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000363854204 385747810 /nfs/dbraw/zinc/74/78/10/385747810.db2.gz MXILQICIJBYOFT-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CCC[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000363854204 385747813 /nfs/dbraw/zinc/74/78/13/385747813.db2.gz MXILQICIJBYOFT-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CCC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000363854204 385747816 /nfs/dbraw/zinc/74/78/16/385747816.db2.gz MXILQICIJBYOFT-KGLIPLIRSA-N 2 1 224.392 2.449 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2ccncc2)CCCCCC1 ZINC000414864560 385765155 /nfs/dbraw/zinc/76/51/55/385765155.db2.gz ZNKAYAVTTLGTPC-UHFFFAOYSA-N 2 1 233.359 2.223 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414944966 385787394 /nfs/dbraw/zinc/78/73/94/385787394.db2.gz OXOOBEMRXSSOGI-NWANDNLSSA-N 2 1 232.371 2.434 20 0 BEADMP CC[N@H+](CCn1cc[nH+]c1C)Cc1ccncc1 ZINC000271050748 385778781 /nfs/dbraw/zinc/77/87/81/385778781.db2.gz XGAYRKDMAYGYIZ-UHFFFAOYSA-N 2 1 244.342 2.109 20 0 BEADMP CC[N@@H+](CCn1cc[nH+]c1C)Cc1ccncc1 ZINC000271050748 385778784 /nfs/dbraw/zinc/77/87/84/385778784.db2.gz XGAYRKDMAYGYIZ-UHFFFAOYSA-N 2 1 244.342 2.109 20 0 BEADMP CC(C)[C@H](C[NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000414866525 385779762 /nfs/dbraw/zinc/77/97/62/385779762.db2.gz FITSDYZSLWXBIL-CABCVRRESA-N 2 1 232.371 2.378 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCSC1 ZINC000336735773 385722521 /nfs/dbraw/zinc/72/25/21/385722521.db2.gz MAWKXCMBFYPEIA-CHWSQXEVSA-N 2 1 244.448 2.450 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCSC1 ZINC000336735773 385722525 /nfs/dbraw/zinc/72/25/25/385722525.db2.gz MAWKXCMBFYPEIA-CHWSQXEVSA-N 2 1 244.448 2.450 20 0 BEADMP C[C@H]([NH2+]CCc1cccc(F)c1)[C@H]1CCC[NH2+]1 ZINC000400424670 385816001 /nfs/dbraw/zinc/81/60/01/385816001.db2.gz YERMNKJXLBSPIT-SMDDNHRTSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@@H]([NH2+]CCc1cccc(F)c1)[C@@H]1CCC[NH2+]1 ZINC000400424669 385816829 /nfs/dbraw/zinc/81/68/29/385816829.db2.gz YERMNKJXLBSPIT-RISCZKNCSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000414948922 385820230 /nfs/dbraw/zinc/82/02/30/385820230.db2.gz YMTZSYGWBAVMAW-QWRGUYRKSA-N 2 1 224.323 2.084 20 0 BEADMP C[C@@H](C[NH3+])[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000414948844 385820908 /nfs/dbraw/zinc/82/09/08/385820908.db2.gz YHPPDQVNSDQLPM-LBPRGKRZSA-N 2 1 241.338 2.185 20 0 BEADMP CC(C)[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000084126315 385858131 /nfs/dbraw/zinc/85/81/31/385858131.db2.gz SWBQQTGRENNTLU-AWEZNQCLSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H](C[NH2+]C[C@H]1CCSC1)[NH+]1CCCC1 ZINC000309687728 385788750 /nfs/dbraw/zinc/78/87/50/385788750.db2.gz HWBDGFSFQUWFKV-CHWSQXEVSA-N 2 1 242.432 2.204 20 0 BEADMP CC(C)CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000122132903 385888148 /nfs/dbraw/zinc/88/81/48/385888148.db2.gz GSDHUHDQDJRVIO-STQMWFEESA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H](CC1CCCC1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414874828 385889016 /nfs/dbraw/zinc/88/90/16/385889016.db2.gz ZMJLQANOVLTIKJ-DGCLKSJQSA-N 2 1 210.365 2.297 20 0 BEADMP CC(C)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000122132513 385889260 /nfs/dbraw/zinc/88/92/60/385889260.db2.gz GSDHUHDQDJRVIO-QWHCGFSZSA-N 2 1 212.381 2.495 20 0 BEADMP CCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000335038401 385928761 /nfs/dbraw/zinc/92/87/61/385928761.db2.gz QALSWPDQFPIQHP-ZDUSSCGKSA-N 2 1 210.365 2.204 20 0 BEADMP CCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000335038401 385928767 /nfs/dbraw/zinc/92/87/67/385928767.db2.gz QALSWPDQFPIQHP-ZDUSSCGKSA-N 2 1 210.365 2.204 20 0 BEADMP CCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000335038401 385928771 /nfs/dbraw/zinc/92/87/71/385928771.db2.gz QALSWPDQFPIQHP-ZDUSSCGKSA-N 2 1 210.365 2.204 20 0 BEADMP CC[NH2+][C@H](C)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000414963634 385898559 /nfs/dbraw/zinc/89/85/59/385898559.db2.gz UIYCIHHFIHEDSF-SNPRPXQTSA-N 2 1 232.371 2.378 20 0 BEADMP Cc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1F ZINC000291718254 385902114 /nfs/dbraw/zinc/90/21/14/385902114.db2.gz METKFPRIBFABCS-NSHDSACASA-N 2 1 238.350 2.421 20 0 BEADMP Cc1ccc(CN2CC[C@@H]3CC[N@H+](C)C[C@H]32)o1 ZINC000272544113 385910600 /nfs/dbraw/zinc/91/06/00/385910600.db2.gz CGCXPEIMNBVDPR-GXTWGEPZSA-N 2 1 234.343 2.114 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C)C[C@H]32)o1 ZINC000272544113 385910607 /nfs/dbraw/zinc/91/06/07/385910607.db2.gz CGCXPEIMNBVDPR-GXTWGEPZSA-N 2 1 234.343 2.114 20 0 BEADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(F)cc1 ZINC000342101545 385927262 /nfs/dbraw/zinc/92/72/62/385927262.db2.gz LHCAHPOHNVAMMH-JTQLQIEISA-N 2 1 222.307 2.358 20 0 BEADMP C[N@@H+](CCCn1ccnc1)Cc1ccsc1 ZINC000272070024 385873017 /nfs/dbraw/zinc/87/30/17/385873017.db2.gz FCPWKUMVSBXAPQ-UHFFFAOYSA-N 2 1 235.356 2.467 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1C ZINC000414136457 385983597 /nfs/dbraw/zinc/98/35/97/385983597.db2.gz FOTWEPLOBQCXGB-MROQNXINSA-N 2 1 212.381 2.349 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1C ZINC000414136457 385983601 /nfs/dbraw/zinc/98/36/01/385983601.db2.gz FOTWEPLOBQCXGB-MROQNXINSA-N 2 1 212.381 2.349 20 0 BEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000414135916 385985190 /nfs/dbraw/zinc/98/51/90/385985190.db2.gz FCBGWSRJXZPIAM-RQJABVFESA-N 2 1 240.391 2.015 20 0 BEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000414135916 385985197 /nfs/dbraw/zinc/98/51/97/385985197.db2.gz FCBGWSRJXZPIAM-RQJABVFESA-N 2 1 240.391 2.015 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]C/C=C\c1ccccc1 ZINC000414972700 385988545 /nfs/dbraw/zinc/98/85/45/385988545.db2.gz BISNYNKZMUZTJA-XURPKSDJSA-N 2 1 204.317 2.027 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]C/C=C\c1ccccc1 ZINC000414972696 385988616 /nfs/dbraw/zinc/98/86/16/385988616.db2.gz BISNYNKZMUZTJA-OYVUYXNMSA-N 2 1 204.317 2.027 20 0 BEADMP C[C@@H]1CSCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000189041724 385932295 /nfs/dbraw/zinc/93/22/95/385932295.db2.gz IZOYSSHHNOAQHO-CYBMUJFWSA-N 2 1 242.432 2.300 20 0 BEADMP C[C@@H]1CSCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000189041724 385932300 /nfs/dbraw/zinc/93/23/00/385932300.db2.gz IZOYSSHHNOAQHO-CYBMUJFWSA-N 2 1 242.432 2.300 20 0 BEADMP Cc1ccc(F)cc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000291742467 385935136 /nfs/dbraw/zinc/93/51/36/385935136.db2.gz PBONNNWXAZLDLT-NSHDSACASA-N 2 1 238.350 2.421 20 0 BEADMP CC[C@H](C[NH2+][C@H](C)[C@H]1C[C@H]1C)[NH+]1CCCC1 ZINC000414059802 385936348 /nfs/dbraw/zinc/93/63/48/385936348.db2.gz IUGAICCSYWAYAH-SYQHCUMBSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](C[NH2+][C@H](C)[C@@H]1C[C@@H]1C)[NH+]1CCCC1 ZINC000414059801 385936647 /nfs/dbraw/zinc/93/66/47/385936647.db2.gz IUGAICCSYWAYAH-REWJHTLYSA-N 2 1 224.392 2.495 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2C[C@@H]2C)C1 ZINC000414066980 385943128 /nfs/dbraw/zinc/94/31/28/385943128.db2.gz IMGYRMKSBHITDD-DGAVXFQQSA-N 2 1 224.392 2.352 20 0 BEADMP CCc1cccc(OCC[NH2+]CC2([NH3+])CCC2)c1 ZINC000342141395 385943982 /nfs/dbraw/zinc/94/39/82/385943982.db2.gz UVXDBIJGIQFBSG-UHFFFAOYSA-N 2 1 248.370 2.099 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000414067625 385944935 /nfs/dbraw/zinc/94/49/35/385944935.db2.gz JDLRBWCGZFAQJF-LOWVWBTDSA-N 2 1 221.348 2.216 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000335013361 385968516 /nfs/dbraw/zinc/96/85/16/385968516.db2.gz UEBFBFPMVWTYNZ-UONOGXRCSA-N 2 1 233.359 2.140 20 0 BEADMP C[C@@H](C[NH3+])C[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000414880529 385971307 /nfs/dbraw/zinc/97/13/07/385971307.db2.gz QXDFQNVNNJGJKW-VIFPVBQESA-N 2 1 241.404 2.125 20 0 BEADMP CCC1CC([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000336727678 386002067 /nfs/dbraw/zinc/00/20/67/386002067.db2.gz HPNMJLQVWVZUBB-HIFPTAJRSA-N 2 1 212.381 2.493 20 0 BEADMP CCC1CC([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000336727678 386002072 /nfs/dbraw/zinc/00/20/72/386002072.db2.gz HPNMJLQVWVZUBB-HIFPTAJRSA-N 2 1 212.381 2.493 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000414974428 386008051 /nfs/dbraw/zinc/00/80/51/386008051.db2.gz DMPPTWZRGOXADI-JTQLQIEISA-N 2 1 244.285 2.115 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]C/C=C\c1ccccc1OC ZINC000414976296 386015496 /nfs/dbraw/zinc/01/54/96/386015496.db2.gz HXAYDWSJXPTKOR-WOLRVDTOSA-N 2 1 234.343 2.035 20 0 BEADMP COC(C)(C)[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414169827 386016861 /nfs/dbraw/zinc/01/68/61/386016861.db2.gz BODLPBZMNOWFFD-STQMWFEESA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(C)cc1C ZINC000414975428 386017045 /nfs/dbraw/zinc/01/70/45/386017045.db2.gz GMFAQTMDGHOPAA-ZDUSSCGKSA-N 2 1 206.333 2.130 20 0 BEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccnc1 ZINC000414185504 386024796 /nfs/dbraw/zinc/02/47/96/386024796.db2.gz OTDAYPUSAYMWGX-KBPBESRZSA-N 2 1 247.386 2.464 20 0 BEADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1(C)CC1 ZINC000414202931 386039708 /nfs/dbraw/zinc/03/97/08/386039708.db2.gz ZONDGVKEAGMPBV-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CCc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000334997508 386053217 /nfs/dbraw/zinc/05/32/17/386053217.db2.gz DHWYBVVNHABFIP-DOMZBBRYSA-N 2 1 232.371 2.418 20 0 BEADMP Cc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)ccc1Cl ZINC000414885315 386055610 /nfs/dbraw/zinc/05/56/10/386055610.db2.gz GJKLYADDYDQSMX-CYBMUJFWSA-N 2 1 238.762 2.475 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)C2(OC)CCC2)CC1 ZINC000414307538 386110580 /nfs/dbraw/zinc/11/05/80/386110580.db2.gz FHUIHFDYRNOMDG-LBPRGKRZSA-N 2 1 240.391 2.018 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCC(C)(F)F ZINC000296007832 386121318 /nfs/dbraw/zinc/12/13/18/386121318.db2.gz LIQXRFJQOBJRLA-UHFFFAOYSA-N 2 1 243.301 2.283 20 0 BEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)C1(C2CC2)CC1 ZINC000336728159 386064044 /nfs/dbraw/zinc/06/40/44/386064044.db2.gz WMKJNUMDTCNLJW-UHFFFAOYSA-N 2 1 234.387 2.393 20 0 BEADMP Fc1ccc(F)c(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000129254919 386070043 /nfs/dbraw/zinc/07/00/43/386070043.db2.gz CSPRUOWDSUDDIQ-LBPRGKRZSA-N 2 1 240.297 2.197 20 0 BEADMP CC[NH+](CC)C[C@@H](C)Nc1cc(C)[nH+]c(C)n1 ZINC000041677363 386072658 /nfs/dbraw/zinc/07/26/58/386072658.db2.gz JYKUCMRIVFFTDA-LLVKDONJSA-N 2 1 236.363 2.236 20 0 BEADMP C[C@H]1C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)CC[C@@H]1[NH3+] ZINC000414653886 386072799 /nfs/dbraw/zinc/07/27/99/386072799.db2.gz FIAUZWUGQSRHIK-TUUVXOQKSA-N 2 1 244.382 2.459 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@H]1CC1(C)C ZINC000414227778 386077703 /nfs/dbraw/zinc/07/77/03/386077703.db2.gz XOLBYBXNFITZAE-RHYQMDGZSA-N 2 1 210.365 2.103 20 0 BEADMP C1CC1[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000414886546 386078917 /nfs/dbraw/zinc/07/89/17/386078917.db2.gz HLQWSKKLQKDFLP-MCIONIFRSA-N 2 1 222.376 2.297 20 0 BEADMP COc1ccccc1/C=C/C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414886609 386081481 /nfs/dbraw/zinc/08/14/81/386081481.db2.gz CQQICJVKAZVDDF-YVZNUBBCSA-N 2 1 246.354 2.035 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000414984518 386094453 /nfs/dbraw/zinc/09/44/53/386094453.db2.gz UXTMLCPJWVWOGK-OOPCZODUSA-N 2 1 222.307 2.166 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000414985673 386099212 /nfs/dbraw/zinc/09/92/12/386099212.db2.gz WMKNQBBGSSGBGK-AWEZNQCLSA-N 2 1 243.354 2.370 20 0 BEADMP C[C@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000414892529 386148396 /nfs/dbraw/zinc/14/83/96/386148396.db2.gz QBNWHYTVCMRRRZ-XQQFMLRXSA-N 2 1 210.365 2.154 20 0 BEADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)CC[N@@H+]1C ZINC000414349998 386150406 /nfs/dbraw/zinc/15/04/06/386150406.db2.gz YUFCXKYZYQPTRU-UMSGYPCISA-N 2 1 234.343 2.208 20 0 BEADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)CC[N@H+]1C ZINC000414349998 386150411 /nfs/dbraw/zinc/15/04/11/386150411.db2.gz YUFCXKYZYQPTRU-UMSGYPCISA-N 2 1 234.343 2.208 20 0 BEADMP Cc1ccccc1C[C@H]1CCC[N@H+]1CCC[NH3+] ZINC000414691619 386187124 /nfs/dbraw/zinc/18/71/24/386187124.db2.gz JXPDYPDNUAMDJT-OAHLLOKOSA-N 2 1 232.371 2.351 20 0 BEADMP C[NH+]1CCC([NH2+]CC(C)(C)c2cccnc2)CC1 ZINC000414339535 386130056 /nfs/dbraw/zinc/13/00/56/386130056.db2.gz ZIGWWSIRGKOFCC-UHFFFAOYSA-N 2 1 247.386 2.043 20 0 BEADMP CO[C@H](C)C[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000414691357 386189243 /nfs/dbraw/zinc/18/92/43/386189243.db2.gz BJWMLFVSFYSUIV-BFHYXJOUSA-N 2 1 242.407 2.120 20 0 BEADMP C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCC[NH3+] ZINC000414702791 386210598 /nfs/dbraw/zinc/21/05/98/386210598.db2.gz LXCUNFJNPDJMBZ-GXTWGEPZSA-N 2 1 218.344 2.213 20 0 BEADMP [NH3+][C@H](C[NH2+]Cc1cccc2cccnc21)C1CC1 ZINC000414897806 386211951 /nfs/dbraw/zinc/21/19/51/386211951.db2.gz RYECUAVLSHQSCZ-CQSZACIVSA-N 2 1 241.338 2.062 20 0 BEADMP CC[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C1CCC1 ZINC000414704295 386213123 /nfs/dbraw/zinc/21/31/23/386213123.db2.gz MVBZBSBYDOSZIV-RYUDHWBXSA-N 2 1 210.365 2.249 20 0 BEADMP [NH3+]CCC[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000414707055 386216460 /nfs/dbraw/zinc/21/64/60/386216460.db2.gz OZXQYTOOUICRNE-UHFFFAOYSA-N 2 1 236.334 2.387 20 0 BEADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCC[NH3+] ZINC000414707118 386217415 /nfs/dbraw/zinc/21/74/15/386217415.db2.gz PBKJOHPPOVUFOY-YPMHNXCESA-N 2 1 236.334 2.352 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccc1F ZINC000132183124 386227774 /nfs/dbraw/zinc/22/77/74/386227774.db2.gz UNXGNJYWVVAGFH-VXGBXAGGSA-N 2 1 236.334 2.476 20 0 BEADMP Fc1ccc(F)c(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000132262341 386229903 /nfs/dbraw/zinc/22/99/03/386229903.db2.gz DIRAKOLWDHHDBI-SNVBAGLBSA-N 2 1 240.297 2.054 20 0 BEADMP CCC[C@H](CC)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000125231057 386235656 /nfs/dbraw/zinc/23/56/56/386235656.db2.gz DOHFINOLJHAOKA-OLZOCXBDSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414716425 386238895 /nfs/dbraw/zinc/23/88/95/386238895.db2.gz XWIZKGBXHVGLFA-FVCCEPFGSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC000415003366 386255967 /nfs/dbraw/zinc/25/59/67/386255967.db2.gz FVSTXYVOKXASRJ-PLEIZWCUSA-N 2 1 204.317 2.025 20 0 BEADMP CCCOc1cccc(C[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000414899687 386256579 /nfs/dbraw/zinc/25/65/79/386256579.db2.gz VAXYBUWGEHMLIR-OAHLLOKOSA-N 2 1 248.370 2.302 20 0 BEADMP CCc1nc(N2CCCC[C@H]2CC[NH3+])cc(C)[nH+]1 ZINC000310756019 386282121 /nfs/dbraw/zinc/28/21/21/386282121.db2.gz JTDMAWHABRSHLT-LBPRGKRZSA-N 2 1 248.374 2.055 20 0 BEADMP CC[C@H]1c2ccccc2CC[N@H+]1C[C@@H](C)[NH3+] ZINC000647885812 386286283 /nfs/dbraw/zinc/28/62/83/386286283.db2.gz SPMDJOGBIFSYLQ-RISCZKNCSA-N 2 1 218.344 2.343 20 0 BEADMP CC[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](C)[NH3+] ZINC000647885812 386286286 /nfs/dbraw/zinc/28/62/86/386286286.db2.gz SPMDJOGBIFSYLQ-RISCZKNCSA-N 2 1 218.344 2.343 20 0 BEADMP Fc1ccc2c(c1)CC[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000335263380 386292233 /nfs/dbraw/zinc/29/22/33/386292233.db2.gz DMYXVPYDJSIAHI-LBPRGKRZSA-N 2 1 248.345 2.183 20 0 BEADMP Fc1ccc2c(c1)CC[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000335263380 386292237 /nfs/dbraw/zinc/29/22/37/386292237.db2.gz DMYXVPYDJSIAHI-LBPRGKRZSA-N 2 1 248.345 2.183 20 0 BEADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647885882 386297837 /nfs/dbraw/zinc/29/78/37/386297837.db2.gz DRFTWKROMNKOCK-FMKPAKJESA-N 2 1 244.382 2.474 20 0 BEADMP CSCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336682357 386340746 /nfs/dbraw/zinc/34/07/46/386340746.db2.gz RPNOCJGNKIBCKM-CYBMUJFWSA-N 2 1 242.432 2.013 20 0 BEADMP CSCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000336682357 386340751 /nfs/dbraw/zinc/34/07/51/386340751.db2.gz RPNOCJGNKIBCKM-CYBMUJFWSA-N 2 1 242.432 2.013 20 0 BEADMP CSCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000336682357 386340767 /nfs/dbraw/zinc/34/07/67/386340767.db2.gz RPNOCJGNKIBCKM-CYBMUJFWSA-N 2 1 242.432 2.013 20 0 BEADMP CC(C)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335278951 386361101 /nfs/dbraw/zinc/36/11/01/386361101.db2.gz MVYUTFHMGCPUQH-LBPRGKRZSA-N 2 1 210.365 2.106 20 0 BEADMP c1nc2c([nH]1)C[N@@H+](CCc1ccccc1)CC2 ZINC000647933529 386365854 /nfs/dbraw/zinc/36/58/54/386365854.db2.gz RVYAJMGXQAUSQN-UHFFFAOYSA-N 2 1 227.311 2.011 20 0 BEADMP CC[N@@H+](CCCO)CCCc1cnccc1C ZINC000290041845 386387064 /nfs/dbraw/zinc/38/70/64/386387064.db2.gz OBGZKBVFTPNCTE-UHFFFAOYSA-N 2 1 236.359 2.027 20 0 BEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccoc2C)C1 ZINC000414418033 386370064 /nfs/dbraw/zinc/37/00/64/386370064.db2.gz YQLPHINLUFEXEO-ZDUSSCGKSA-N 2 1 236.359 2.362 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccoc2C)C1 ZINC000414418033 386370072 /nfs/dbraw/zinc/37/00/72/386370072.db2.gz YQLPHINLUFEXEO-ZDUSSCGKSA-N 2 1 236.359 2.362 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccoc2C)C1 ZINC000414418033 386370076 /nfs/dbraw/zinc/37/00/76/386370076.db2.gz YQLPHINLUFEXEO-ZDUSSCGKSA-N 2 1 236.359 2.362 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccoc2C)C1 ZINC000414418033 386370081 /nfs/dbraw/zinc/37/00/81/386370081.db2.gz YQLPHINLUFEXEO-ZDUSSCGKSA-N 2 1 236.359 2.362 20 0 BEADMP C[C@@H]1C[C@@H](C[N@@H+](C)[C@@H]2CC2(C)C)CC[NH2+]1 ZINC000414741518 386325696 /nfs/dbraw/zinc/32/56/96/386325696.db2.gz MNYYBZLLZOINKV-GRYCIOLGSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCC[NH3+] ZINC000414740224 386330106 /nfs/dbraw/zinc/33/01/06/386330106.db2.gz JRCHLIUSXOGVSI-DZGCQCFKSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](C)C(F)(F)C2)CC[NH2+]1 ZINC000414740186 386330928 /nfs/dbraw/zinc/33/09/28/386330928.db2.gz JOCSLEFLFIXIQT-UTUOFQBUSA-N 2 1 246.345 2.352 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](C)C(F)(F)C2)CC[NH2+]1 ZINC000414740186 386330931 /nfs/dbraw/zinc/33/09/31/386330931.db2.gz JOCSLEFLFIXIQT-UTUOFQBUSA-N 2 1 246.345 2.352 20 0 BEADMP C[C@H]1CCC[C@H](C[NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000414903209 386335608 /nfs/dbraw/zinc/33/56/08/386335608.db2.gz LFHCVPGZQVEYMQ-AVGNSLFASA-N 2 1 210.365 2.154 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)COC)C[C@@H]1C ZINC000527366089 386446124 /nfs/dbraw/zinc/44/61/24/386446124.db2.gz FQKANPPILBFWEV-IHRRRGAJSA-N 2 1 242.407 2.074 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)COC)C[C@@H]1C ZINC000527366089 386446133 /nfs/dbraw/zinc/44/61/33/386446133.db2.gz FQKANPPILBFWEV-IHRRRGAJSA-N 2 1 242.407 2.074 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)COC)C[C@@H]1C ZINC000527366089 386446136 /nfs/dbraw/zinc/44/61/36/386446136.db2.gz FQKANPPILBFWEV-IHRRRGAJSA-N 2 1 242.407 2.074 20 0 BEADMP CC1CCC([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000414908868 386403128 /nfs/dbraw/zinc/40/31/28/386403128.db2.gz BKXJXRBHMZLXST-POOIEITISA-N 2 1 210.365 2.153 20 0 BEADMP CCC[C@]1(CO)CCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414758174 386404189 /nfs/dbraw/zinc/40/41/89/386404189.db2.gz MFWPIRATDQYPNV-CQSZACIVSA-N 2 1 242.407 2.002 20 0 BEADMP CCC[C@]1(CO)CCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000414758174 386404191 /nfs/dbraw/zinc/40/41/91/386404191.db2.gz MFWPIRATDQYPNV-CQSZACIVSA-N 2 1 242.407 2.002 20 0 BEADMP CC(C)(C)[C@@H]1CCC[N@@H+](CCOCC[NH3+])CC1 ZINC000093232487 386406782 /nfs/dbraw/zinc/40/67/82/386406782.db2.gz CQNRAQCXWHNVRV-CYBMUJFWSA-N 2 1 242.407 2.110 20 0 BEADMP Cc1cc(C)c2c(c1)C[N@H+](C[C@H]1CC[NH2+]C1)CC2 ZINC000647991291 386419594 /nfs/dbraw/zinc/41/95/94/386419594.db2.gz WSSJSTJHFBFDHW-AWEZNQCLSA-N 2 1 244.382 2.271 20 0 BEADMP C[C@H](Cc1ccncc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000347416886 386420839 /nfs/dbraw/zinc/42/08/39/386420839.db2.gz PGZONTJGHVUCID-UMVBOHGHSA-N 2 1 247.386 2.085 20 0 BEADMP C[C@H](Cc1ccncc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000347416886 386420843 /nfs/dbraw/zinc/42/08/43/386420843.db2.gz PGZONTJGHVUCID-UMVBOHGHSA-N 2 1 247.386 2.085 20 0 BEADMP COC[C@@H](C)C[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000527361283 386422512 /nfs/dbraw/zinc/42/25/12/386422512.db2.gz LCGCDUAMABSXLQ-ZDUSSCGKSA-N 2 1 242.407 2.123 20 0 BEADMP COC[C@@H](C)C[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000527361283 386422524 /nfs/dbraw/zinc/42/25/24/386422524.db2.gz LCGCDUAMABSXLQ-ZDUSSCGKSA-N 2 1 242.407 2.123 20 0 BEADMP CC[C@@H]1C[C@@H](C)C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000399148416 386427166 /nfs/dbraw/zinc/42/71/66/386427166.db2.gz GCVIQBLCXQRYEQ-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]1C[C@@H](C)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000399164033 386428208 /nfs/dbraw/zinc/42/82/08/386428208.db2.gz LUZQSENITHRGKH-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@@H](C)C2)CC[NH2+]1 ZINC000414765495 386431368 /nfs/dbraw/zinc/43/13/68/386431368.db2.gz ZXXREUTUXGURLN-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CC12CC2 ZINC000417345927 386488520 /nfs/dbraw/zinc/48/85/20/386488520.db2.gz YMAJJKXIYJALCK-JHJVBQTASA-N 2 1 220.360 2.003 20 0 BEADMP C[C@@H]([NH2+]C/C=C\c1ccc(F)cc1F)[C@H](C)[NH3+] ZINC000415014989 386500692 /nfs/dbraw/zinc/50/06/92/386500692.db2.gz MQUADZKUHNETQZ-RWCMCFKCSA-N 2 1 240.297 2.303 20 0 BEADMP c1c[nH+]c(N2CC[NH+](CC3CCCCC3)CC2)[nH]1 ZINC000519622339 386509892 /nfs/dbraw/zinc/50/98/92/386509892.db2.gz ZOKNSTVVOOHVNR-UHFFFAOYSA-N 2 1 248.374 2.112 20 0 BEADMP c1cn(CC[N@H+]2CC[C@@H](CC3CC3)C2)cn1 ZINC000339674267 386515817 /nfs/dbraw/zinc/51/58/17/386515817.db2.gz UJVBSKNSXPAEKB-ZDUSSCGKSA-N 2 1 219.332 2.005 20 0 BEADMP CC[C@@H](C)C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415032416 386518868 /nfs/dbraw/zinc/51/88/68/386518868.db2.gz AKKKHPBHVHISAH-VHDGCEQUSA-N 2 1 232.371 2.378 20 0 BEADMP COc1cccc(C[NH2+][C@H](C[NH3+])C2CCCC2)c1 ZINC000415033662 386520858 /nfs/dbraw/zinc/52/08/58/386520858.db2.gz BTTKFRVNAOIPRV-OAHLLOKOSA-N 2 1 248.370 2.302 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1F ZINC000094339028 386457336 /nfs/dbraw/zinc/45/73/36/386457336.db2.gz NBEMEEUMRNYEJA-BXUZGUMPSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1F ZINC000094339028 386457341 /nfs/dbraw/zinc/45/73/41/386457341.db2.gz NBEMEEUMRNYEJA-BXUZGUMPSA-N 2 1 236.334 2.303 20 0 BEADMP CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000094338823 386457635 /nfs/dbraw/zinc/45/76/35/386457635.db2.gz BTFFKLRFYNDOMV-DOMZBBRYSA-N 2 1 248.370 2.254 20 0 BEADMP CC(C)([NH3+])C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000414797456 386579369 /nfs/dbraw/zinc/57/93/69/386579369.db2.gz DGVGBPYWQAFYLL-UHFFFAOYSA-N 2 1 244.285 2.115 20 0 BEADMP [NH3+]C[C@@H]([NH2+]Cc1coc2ccccc12)C1CC1 ZINC000414797273 386579505 /nfs/dbraw/zinc/57/95/05/386579505.db2.gz IMCZSENNHUBYOZ-CYBMUJFWSA-N 2 1 230.311 2.260 20 0 BEADMP CCC([NH3+])(CC)C[NH2+]Cc1cccc(OC)c1 ZINC000414798123 386584329 /nfs/dbraw/zinc/58/43/29/386584329.db2.gz DXDBSHPNAVLUSD-UHFFFAOYSA-N 2 1 236.359 2.302 20 0 BEADMP C[C@H](C[NH3+])[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000414921453 386585441 /nfs/dbraw/zinc/58/54/41/386585441.db2.gz BKZZARXNULKGQO-VHSXEESVSA-N 2 1 226.751 2.380 20 0 BEADMP CCc1ccc(C[NH2+][C@@H](CN)C2CC2)cc1 ZINC000414800061 386592182 /nfs/dbraw/zinc/59/21/82/386592182.db2.gz KOEWNYSQZRNYNM-AWEZNQCLSA-N 2 1 218.344 2.076 20 0 BEADMP CCc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000414800061 386592189 /nfs/dbraw/zinc/59/21/89/386592189.db2.gz KOEWNYSQZRNYNM-AWEZNQCLSA-N 2 1 218.344 2.076 20 0 BEADMP CC[C@H](COC)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000414799913 386594411 /nfs/dbraw/zinc/59/44/11/386594411.db2.gz FFOBEZDPIYWWNS-CYBMUJFWSA-N 2 1 242.407 2.313 20 0 BEADMP CC[C@@H](COC)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000414799914 386594614 /nfs/dbraw/zinc/59/46/14/386594614.db2.gz FFOBEZDPIYWWNS-ZDUSSCGKSA-N 2 1 242.407 2.313 20 0 BEADMP C[N@@H+](CCCC[NH2+]C1CCSCC1)C1CC1 ZINC000453405386 386595054 /nfs/dbraw/zinc/59/50/54/386595054.db2.gz QMDGKDITBLIHNH-UHFFFAOYSA-N 2 1 242.432 2.346 20 0 BEADMP C[C@@H](C[NH2+][C@@H](C[NH3+])C1CC1)Cc1ccccc1 ZINC000414802736 386595805 /nfs/dbraw/zinc/59/58/05/386595805.db2.gz NASHBRRIAHYRJH-DOMZBBRYSA-N 2 1 232.371 2.192 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789065 386535077 /nfs/dbraw/zinc/53/50/77/386535077.db2.gz XUFANYGWCGZELO-BFHYXJOUSA-N 2 1 224.392 2.354 20 0 BEADMP CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](CCN)C1 ZINC000647995410 386538629 /nfs/dbraw/zinc/53/86/29/386538629.db2.gz VVLGEQQQTKVPKV-NEPJUHHUSA-N 2 1 210.365 2.093 20 0 BEADMP CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](CC[NH3+])C1 ZINC000647995410 386538639 /nfs/dbraw/zinc/53/86/39/386538639.db2.gz VVLGEQQQTKVPKV-NEPJUHHUSA-N 2 1 210.365 2.093 20 0 BEADMP CC[C@]1(C)CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000399386458 386538597 /nfs/dbraw/zinc/53/85/97/386538597.db2.gz RIUVNBMEEYTJOP-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP [NH3+]C[C@H]([NH2+]C/C=C/c1ccccc1)C1CC1 ZINC000414793023 386561540 /nfs/dbraw/zinc/56/15/40/386561540.db2.gz CYBSNLQDURFVGK-GBXSZLQWSA-N 2 1 216.328 2.027 20 0 BEADMP C[C@H](C[NH2+][C@H](C[NH3+])C1CC1)c1ccc(F)cc1 ZINC000414807478 386619339 /nfs/dbraw/zinc/61/93/39/386619339.db2.gz OCGFIJJNBZSFDH-QMTHXVAHSA-N 2 1 236.334 2.256 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CCCCC1 ZINC000414924249 386621060 /nfs/dbraw/zinc/62/10/60/386621060.db2.gz IMZXRMRYKBOPAY-AAEUAGOBSA-N 2 1 210.365 2.154 20 0 BEADMP CCN1CCC([N@@H+](C)CC(C)(C)COC)CC1 ZINC000426047938 386625255 /nfs/dbraw/zinc/62/52/55/386625255.db2.gz SHRBHZIEXASHRX-UHFFFAOYSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+]1CCC([N@H+](C)CC(C)(C)COC)CC1 ZINC000426047938 386625277 /nfs/dbraw/zinc/62/52/77/386625277.db2.gz SHRBHZIEXASHRX-UHFFFAOYSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)CC(C)(C)COC)CC1 ZINC000426047938 386625283 /nfs/dbraw/zinc/62/52/83/386625283.db2.gz SHRBHZIEXASHRX-UHFFFAOYSA-N 2 1 242.407 2.075 20 0 BEADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CC(C)C ZINC000417379455 386655823 /nfs/dbraw/zinc/65/58/23/386655823.db2.gz UOIPWPRXNZVQHU-MJBXVCDLSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)c1ccc(CC[NH2+][C@H](C)C[NH3+])cc1 ZINC000414924813 386630498 /nfs/dbraw/zinc/63/04/98/386630498.db2.gz HPZRDDCWYAITTH-GFCCVEGCSA-N 2 1 220.360 2.289 20 0 BEADMP Cc1ccnc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c1 ZINC000425919256 386631768 /nfs/dbraw/zinc/63/17/68/386631768.db2.gz IUTXPZZDDPQYOF-STQMWFEESA-N 2 1 235.375 2.238 20 0 BEADMP Cc1cc(Cl)ccc1C[NH2+][C@H](C[NH3+])C1CC1 ZINC000414811021 386633006 /nfs/dbraw/zinc/63/30/06/386633006.db2.gz VXICOEKTZUXNPU-CYBMUJFWSA-N 2 1 238.762 2.475 20 0 BEADMP [NH3+]C[C@H]([NH2+]Cc1ccc(C2CC2)cc1)C1CC1 ZINC000414814769 386650909 /nfs/dbraw/zinc/65/09/09/386650909.db2.gz RZYJCDPBNGTLGW-HNNXBMFYSA-N 2 1 230.355 2.391 20 0 BEADMP C[C@H](C[NH2+][C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000414815734 386651843 /nfs/dbraw/zinc/65/18/43/386651843.db2.gz UVESCBWTHWORTC-BXUZGUMPSA-N 2 1 218.344 2.117 20 0 BEADMP C[C@@H](CCc1ccccc1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414817101 386652613 /nfs/dbraw/zinc/65/26/13/386652613.db2.gz ZECXBKPBDMNUFC-WFASDCNBSA-N 2 1 232.371 2.335 20 0 BEADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CC(C)C ZINC000417379456 386654424 /nfs/dbraw/zinc/65/44/24/386654424.db2.gz UOIPWPRXNZVQHU-RDBSUJKOSA-N 2 1 242.407 2.120 20 0 BEADMP C[C@@]1(C[NH2+]Cc2ccc(F)cc2F)CC[NH2+]C1 ZINC000415085295 386601844 /nfs/dbraw/zinc/60/18/44/386601844.db2.gz PUQBXEMYKSKOTO-CYBMUJFWSA-N 2 1 240.297 2.054 20 0 BEADMP CCC(CC)(CCO)C[NH2+]CC[NH2+]C(C)(C)C ZINC000415087085 386606554 /nfs/dbraw/zinc/60/65/54/386606554.db2.gz TVXAMXABDGDDLC-UHFFFAOYSA-N 2 1 244.423 2.153 20 0 BEADMP Cc1cscc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000335489988 386606759 /nfs/dbraw/zinc/60/67/59/386606759.db2.gz ANEVWMOGXFNLQN-WDEREUQCSA-N 2 1 210.346 2.026 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+]Cc1cccc(F)c1 ZINC000414805121 386609147 /nfs/dbraw/zinc/60/91/47/386609147.db2.gz ABJWJARCBRVJLR-CYBMUJFWSA-N 2 1 224.323 2.433 20 0 BEADMP CC(C)([NH3+])C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000414804656 386609498 /nfs/dbraw/zinc/60/94/98/386609498.db2.gz NVLWFIPLIIHBPI-ARJAWSKDSA-N 2 1 222.307 2.166 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)C(C)(C)c1ccccc1 ZINC000415091714 386611841 /nfs/dbraw/zinc/61/18/41/386611841.db2.gz ZQRAPLDKYGZTPC-OCCSQVGLSA-N 2 1 232.371 2.304 20 0 BEADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cccc(OC)c1 ZINC000414807023 386617260 /nfs/dbraw/zinc/61/72/60/386617260.db2.gz CBLPFJKTTZRFPR-ZDUSSCGKSA-N 2 1 236.359 2.302 20 0 BEADMP CCCC[N@@H+](C[C@]1(C)CC[NH2+]C1)C1CC1 ZINC000062911735 386655341 /nfs/dbraw/zinc/65/53/41/386655341.db2.gz QNSXWTSVCPOCQX-CYBMUJFWSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@H](C[NH3+])[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000414926127 386659547 /nfs/dbraw/zinc/65/95/47/386659547.db2.gz JHXVKYIODPCUCV-SECBINFHSA-N 2 1 226.389 2.482 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000414822010 386671087 /nfs/dbraw/zinc/67/10/87/386671087.db2.gz FZFVPEMITMTTHD-VHDGCEQUSA-N 2 1 232.371 2.378 20 0 BEADMP CC[NH2+]CC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000414822696 386674438 /nfs/dbraw/zinc/67/44/38/386674438.db2.gz FINFGDYGBYHDGD-NSHDSACASA-N 2 1 224.323 2.128 20 0 BEADMP CCCC[C@@H](C[NH3+])[NH2+]C1Cc2ccccc2C1 ZINC000414818443 386657434 /nfs/dbraw/zinc/65/74/34/386657434.db2.gz VUTHKIZBPDQBHM-AWEZNQCLSA-N 2 1 232.371 2.261 20 0 BEADMP CC[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)CC[C@H]1[NH3+] ZINC000302380965 386710833 /nfs/dbraw/zinc/71/08/33/386710833.db2.gz IGZVMKUIJDWMAZ-QJPTWQEYSA-N 2 1 246.345 2.481 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CCCC[C@H]1C ZINC000394834711 386691862 /nfs/dbraw/zinc/69/18/62/386691862.db2.gz QDKDOBKEPNTEEC-OLZOCXBDSA-N 2 1 212.381 2.354 20 0 BEADMP COc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1C ZINC000268824765 386702864 /nfs/dbraw/zinc/70/28/64/386702864.db2.gz MZMDCTAEVITMGF-UHFFFAOYSA-N 2 1 248.370 2.187 20 0 BEADMP CC[C@H](Cc1ccc(C)cc1)[NH2+]CC[NH2+]C ZINC000414830171 386706185 /nfs/dbraw/zinc/70/61/85/386706185.db2.gz NMAIVOGKJTVQIT-CQSZACIVSA-N 2 1 220.360 2.125 20 0 BEADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC[NH2+]C ZINC000414830168 386707124 /nfs/dbraw/zinc/70/71/24/386707124.db2.gz NMAIVOGKJTVQIT-AWEZNQCLSA-N 2 1 220.360 2.125 20 0 BEADMP Cc1ccccc1C[NH2+][C@H](C[NH3+])CC(C)C ZINC000414837226 386736344 /nfs/dbraw/zinc/73/63/44/386736344.db2.gz JEVUDHYKIRGWON-AWEZNQCLSA-N 2 1 220.360 2.458 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](CC)Cc1ccccc1 ZINC000414833481 386712902 /nfs/dbraw/zinc/71/29/02/386712902.db2.gz SEUUUKNXPLRTON-CQSZACIVSA-N 2 1 220.360 2.207 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000414832515 386716568 /nfs/dbraw/zinc/71/65/68/386716568.db2.gz DQMVRKBVKSIOGW-CYBMUJFWSA-N 2 1 246.358 2.026 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000414928934 386724787 /nfs/dbraw/zinc/72/47/87/386724787.db2.gz QSPKIPKQDPKCGA-YVECIDJPSA-N 2 1 210.365 2.153 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H](CC)C[C@@H](C)CC ZINC000414835565 386727892 /nfs/dbraw/zinc/72/78/92/386727892.db2.gz VDOKHXVVPRGKOV-RYUDHWBXSA-N 2 1 200.370 2.400 20 0 BEADMP COC1(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000336663982 386753160 /nfs/dbraw/zinc/75/31/60/386753160.db2.gz WSABQULOYXKJDD-CHWSQXEVSA-N 2 1 240.391 2.018 20 0 BEADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000414843942 386767077 /nfs/dbraw/zinc/76/70/77/386767077.db2.gz KINJMZCTXWBCDU-ZJUUUORDSA-N 2 1 238.297 2.307 20 0 BEADMP [NH3+]C[C@@H]([NH2+]C[C@H]1CCSC1)C1CCCCC1 ZINC000414838975 386743748 /nfs/dbraw/zinc/74/37/48/386743748.db2.gz LDYNQODVJDSZAH-DGCLKSJQSA-N 2 1 242.432 2.237 20 0 BEADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cncc(F)c1 ZINC000336667524 386789731 /nfs/dbraw/zinc/78/97/31/386789731.db2.gz ACCUSAZSCNGUMD-WDEREUQCSA-N 2 1 239.338 2.069 20 0 BEADMP C[N@@H+](Cc1cccc(F)c1)CC(C)(C)C[NH3+] ZINC000051214181 386778635 /nfs/dbraw/zinc/77/86/35/386778635.db2.gz KWJXRZSZAYZDRW-UHFFFAOYSA-N 2 1 224.323 2.242 20 0 BEADMP CCSc1cccc(C[NH2+][C@H](C)C[NH3+])c1 ZINC000414935917 386819086 /nfs/dbraw/zinc/81/90/86/386819086.db2.gz WJPPWGHXYWLADJ-SNVBAGLBSA-N 2 1 224.373 2.235 20 0 BEADMP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414936464 386831977 /nfs/dbraw/zinc/83/19/77/386831977.db2.gz UXVWMGDEXDIMON-OPRDCNLKSA-N 2 1 238.297 2.305 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]C2CC3(CCC3)C2)CC1 ZINC000334787535 386848672 /nfs/dbraw/zinc/84/86/72/386848672.db2.gz RVHSKCZEEWQOST-UHFFFAOYSA-N 2 1 220.360 2.171 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000414938426 386852218 /nfs/dbraw/zinc/85/22/18/386852218.db2.gz YMTZSYGWBAVMAW-GHMZBOCLSA-N 2 1 224.323 2.084 20 0 BEADMP C[C@H](C[NH3+])[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000414939558 386860907 /nfs/dbraw/zinc/86/09/07/386860907.db2.gz YWUMETSTWLJWDQ-QWHCGFSZSA-N 2 1 220.360 2.192 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCCC3(CC3)C2)CC[NH2+]1 ZINC000334833059 386871283 /nfs/dbraw/zinc/87/12/83/386871283.db2.gz MLXQMHFWYILIHR-CHWSQXEVSA-N 2 1 222.376 2.251 20 0 BEADMP Cc1cncc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c1 ZINC000293741742 386872662 /nfs/dbraw/zinc/87/26/62/386872662.db2.gz QRXGDMFVCLCEPS-STQMWFEESA-N 2 1 235.375 2.238 20 0 BEADMP c1cncc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000334867975 386925688 /nfs/dbraw/zinc/92/56/88/386925688.db2.gz HEOBKYZNFJNTQQ-CABCVRRESA-N 2 1 245.370 2.046 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000093977907 386927318 /nfs/dbraw/zinc/92/73/18/386927318.db2.gz WFDMGXKNUNUYAG-RAIGVLPGSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@@H]1CC[C@@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC000334890108 386962814 /nfs/dbraw/zinc/96/28/14/386962814.db2.gz MSJUVDAKKWLQKF-ZIAGYGMSSA-N 2 1 233.359 2.395 20 0 BEADMP CS[C@@H]1CC[C@H]1[NH2+]CCC[N@@H+](C)C(C)C ZINC000425359398 386978169 /nfs/dbraw/zinc/97/81/69/386978169.db2.gz PXXPEUNPIYTMNL-VXGBXAGGSA-N 2 1 230.421 2.200 20 0 BEADMP CC/C=C/CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368631203 386996292 /nfs/dbraw/zinc/99/62/92/386996292.db2.gz GTXSFJOHKOJEKF-ISZGNANSSA-N 2 1 222.376 2.370 20 0 BEADMP CC/C=C/CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368631203 386996295 /nfs/dbraw/zinc/99/62/95/386996295.db2.gz GTXSFJOHKOJEKF-ISZGNANSSA-N 2 1 222.376 2.370 20 0 BEADMP CC/C=C/CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368631203 386996300 /nfs/dbraw/zinc/99/63/00/386996300.db2.gz GTXSFJOHKOJEKF-ISZGNANSSA-N 2 1 222.376 2.370 20 0 BEADMP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)cc1 ZINC000109347987 387056211 /nfs/dbraw/zinc/05/62/11/387056211.db2.gz HCMDVEMZFNJBRA-CQSZACIVSA-N 2 1 248.370 2.127 20 0 BEADMP CCOc1ccc(C[N@H+]2CC[C@H](C[NH2+]C)C2)cc1 ZINC000109347987 387056217 /nfs/dbraw/zinc/05/62/17/387056217.db2.gz HCMDVEMZFNJBRA-CQSZACIVSA-N 2 1 248.370 2.127 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000126922524 387073968 /nfs/dbraw/zinc/07/39/68/387073968.db2.gz PRCNGZXCSUWUII-HIFRSBDPSA-N 2 1 232.371 2.473 20 0 BEADMP [NH3+]C[C@@H]1CC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000334998255 387090143 /nfs/dbraw/zinc/09/01/43/387090143.db2.gz MXVCDUAJPSKNBP-XHDPSFHLSA-N 2 1 248.345 2.484 20 0 BEADMP C[N@H+](Cc1ccccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000111824614 387091605 /nfs/dbraw/zinc/09/16/05/387091605.db2.gz ILFOVGFZLSJHHW-CYBMUJFWSA-N 2 1 236.334 2.400 20 0 BEADMP C[N@@H+](Cc1ccccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000111824614 387091609 /nfs/dbraw/zinc/09/16/09/387091609.db2.gz ILFOVGFZLSJHHW-CYBMUJFWSA-N 2 1 236.334 2.400 20 0 BEADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(C)n1 ZINC000334998960 387091815 /nfs/dbraw/zinc/09/18/15/387091815.db2.gz XFYXEXVXOMYSJJ-TZMCWYRMSA-N 2 1 247.386 2.258 20 0 BEADMP CC[C@](C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)OC ZINC000322514414 387092579 /nfs/dbraw/zinc/09/25/79/387092579.db2.gz JTUQVBUJCCDHNK-MELADBBJSA-N 2 1 240.391 2.018 20 0 BEADMP CCOc1ccccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000228409589 387093548 /nfs/dbraw/zinc/09/35/48/387093548.db2.gz LLFRFZIKZOHTAR-UHFFFAOYSA-N 2 1 248.370 2.317 20 0 BEADMP C[C@H]([NH2+]C1CC(C)(F)C1)c1c[nH+]ccc1N ZINC000335007502 387102830 /nfs/dbraw/zinc/10/28/30/387102830.db2.gz OXICFLUFGYXVCA-QTZUAFFRSA-N 2 1 223.295 2.035 20 0 BEADMP CC1=CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000335025087 387116019 /nfs/dbraw/zinc/11/60/19/387116019.db2.gz GXTCBZABIDJWPE-CYBMUJFWSA-N 2 1 208.349 2.123 20 0 BEADMP CC1=CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000335025087 387116024 /nfs/dbraw/zinc/11/60/24/387116024.db2.gz GXTCBZABIDJWPE-CYBMUJFWSA-N 2 1 208.349 2.123 20 0 BEADMP CC1=CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000335025087 387116030 /nfs/dbraw/zinc/11/60/30/387116030.db2.gz GXTCBZABIDJWPE-CYBMUJFWSA-N 2 1 208.349 2.123 20 0 BEADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccccc1F ZINC000335025858 387119422 /nfs/dbraw/zinc/11/94/22/387119422.db2.gz MUAHSTMZKIUNLD-SMDDNHRTSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000335028902 387122260 /nfs/dbraw/zinc/12/22/60/387122260.db2.gz ZSNJXHFXILSWEH-HUUCEWRRSA-N 2 1 247.386 2.448 20 0 BEADMP CCOc1ccccc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000250508308 387124399 /nfs/dbraw/zinc/12/43/99/387124399.db2.gz GWXAQLAIUSSMOU-OLZOCXBDSA-N 2 1 248.370 2.254 20 0 BEADMP CC[C@@H]([NH2+]CC1C[NH2+]C1)c1cc(C)ccc1OC ZINC000423306143 387142212 /nfs/dbraw/zinc/14/22/12/387142212.db2.gz SCECLHDSHQFDRI-CQSZACIVSA-N 2 1 248.370 2.264 20 0 BEADMP C[C@H](F)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000352402821 387146883 /nfs/dbraw/zinc/14/68/83/387146883.db2.gz QBWYJLQYHDSWQV-NWDGAFQWSA-N 2 1 216.344 2.151 20 0 BEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000643495510 387147084 /nfs/dbraw/zinc/14/70/84/387147084.db2.gz IYUXXRZSFSGAPD-FVCCEPFGSA-N 2 1 234.343 2.385 20 0 BEADMP C[C@@H](F)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000352402820 387147253 /nfs/dbraw/zinc/14/72/53/387147253.db2.gz QBWYJLQYHDSWQV-NEPJUHHUSA-N 2 1 216.344 2.151 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423312838 387150719 /nfs/dbraw/zinc/15/07/19/387150719.db2.gz DUQKZPYQMLQLAQ-RISCZKNCSA-N 2 1 218.344 2.383 20 0 BEADMP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423313442 387151311 /nfs/dbraw/zinc/15/13/11/387151311.db2.gz FUCPGLOQAUNTEX-CABCVRRESA-N 2 1 230.355 2.309 20 0 BEADMP Cc1ccc(C[C@@H]([NH2+][C@H](C)C[NH3+])C2CC2)cc1 ZINC000423316253 387157198 /nfs/dbraw/zinc/15/71/98/387157198.db2.gz AXYNDNLMBXFCPA-IUODEOHRSA-N 2 1 232.371 2.253 20 0 BEADMP COc1ccc2c(c1)[C@@H]([NH2+]CC1([NH3+])CCC1)CC2 ZINC000423319437 387161506 /nfs/dbraw/zinc/16/15/06/387161506.db2.gz FHMJMJYUJFMOBA-AWEZNQCLSA-N 2 1 246.354 2.154 20 0 BEADMP COc1ccc2c(c1)[C@H]([NH2+]CC1([NH3+])CCC1)CC2 ZINC000423319438 387163193 /nfs/dbraw/zinc/16/31/93/387163193.db2.gz FHMJMJYUJFMOBA-CQSZACIVSA-N 2 1 246.354 2.154 20 0 BEADMP [NH3+][C@@H](C[NH2+][C@H]1CCCc2sccc21)C1CC1 ZINC000423323891 387168258 /nfs/dbraw/zinc/16/82/58/387168258.db2.gz PCQVBWSPVXPSSR-RYUDHWBXSA-N 2 1 236.384 2.452 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000423324340 387168528 /nfs/dbraw/zinc/16/85/28/387168528.db2.gz KOYQBQRMLSSAPL-WDEREUQCSA-N 2 1 232.327 2.301 20 0 BEADMP COc1cccc2c1CC[C@H]2[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423328082 387170520 /nfs/dbraw/zinc/17/05/20/387170520.db2.gz RYAPUJHWTUHDOE-ZIAGYGMSSA-N 2 1 246.354 2.009 20 0 BEADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc2c(c1)COC2 ZINC000423342578 387193431 /nfs/dbraw/zinc/19/34/31/387193431.db2.gz YYFFNRAKVTXZQL-NSHDSACASA-N 2 1 246.354 2.249 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423331282 387175471 /nfs/dbraw/zinc/17/54/71/387175471.db2.gz QARNTNGNXSYQTE-YRGRVCCFSA-N 2 1 233.359 2.045 20 0 BEADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)CC2 ZINC000423333157 387178335 /nfs/dbraw/zinc/17/83/35/387178335.db2.gz VMEODQKRMFLQGP-HUUCEWRRSA-N 2 1 230.355 2.309 20 0 BEADMP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423332461 387178414 /nfs/dbraw/zinc/17/84/14/387178414.db2.gz VFOXDHOCKMIGFM-MWLCHTKSSA-N 2 1 224.373 2.444 20 0 BEADMP CC(C)[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccnc1 ZINC000423337384 387186216 /nfs/dbraw/zinc/18/62/16/387186216.db2.gz YHBCITKATZYZHY-KGLIPLIRSA-N 2 1 233.359 2.106 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H]1COCC ZINC000423302627 387134578 /nfs/dbraw/zinc/13/45/78/387134578.db2.gz VYDQXCJNAXTKBK-MCIONIFRSA-N 2 1 242.407 2.299 20 0 BEADMP CC(C)(C)[C@H]1CC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423353892 387205024 /nfs/dbraw/zinc/20/50/24/387205024.db2.gz FFIKPTSZOWRXDZ-WOPDTQHZSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)[C@@H](C)C1 ZINC000423359842 387210364 /nfs/dbraw/zinc/21/03/64/387210364.db2.gz KZIHCXXDEFHQNC-IKOXMDCHSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@@H]1CC[C@@H](C)[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000423358433 387210511 /nfs/dbraw/zinc/21/05/11/387210511.db2.gz NFDWZBKHGGITSA-FDYHWXHSSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)[C@@H]1CC1(C)C ZINC000423360378 387213398 /nfs/dbraw/zinc/21/33/98/387213398.db2.gz LIFVRQDMDKETSW-RHYQMDGZSA-N 2 1 210.365 2.009 20 0 BEADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C[NH3+])CCC2 ZINC000423362822 387216574 /nfs/dbraw/zinc/21/65/74/387216574.db2.gz IIOGVCSUSAIZSQ-IINYFYTJSA-N 2 1 234.343 2.009 20 0 BEADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C[NH3+])CCC2 ZINC000423362821 387216941 /nfs/dbraw/zinc/21/69/41/387216941.db2.gz IIOGVCSUSAIZSQ-HZMBPMFUSA-N 2 1 234.343 2.009 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000423366434 387217339 /nfs/dbraw/zinc/21/73/39/387217339.db2.gz LKWIVSCCVISRJL-UFBFGSQYSA-N 2 1 224.735 2.264 20 0 BEADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C)C[NH3+] ZINC000423367528 387218120 /nfs/dbraw/zinc/21/81/20/387218120.db2.gz MRGKYIGINCQNRE-MDZLAQPJSA-N 2 1 218.344 2.480 20 0 BEADMP CCc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])s1 ZINC000423367470 387219376 /nfs/dbraw/zinc/21/93/76/387219376.db2.gz MLYPYFBXMOCFCE-IUCAKERBSA-N 2 1 212.362 2.308 20 0 BEADMP Cc1cccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])c1C ZINC000423368395 387222177 /nfs/dbraw/zinc/22/21/77/387222177.db2.gz NFBBPPOSOXMXBI-CMPLNLGQSA-N 2 1 206.333 2.301 20 0 BEADMP CCOc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000094339171 387223325 /nfs/dbraw/zinc/22/33/25/387223325.db2.gz QJMRYCNSBGAUPI-DOMZBBRYSA-N 2 1 248.370 2.254 20 0 BEADMP CCC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccc(OC)cc1 ZINC000423371444 387224574 /nfs/dbraw/zinc/22/45/74/387224574.db2.gz QLQWLAJQXQUGOY-FZMZJTMJSA-N 2 1 236.359 2.473 20 0 BEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C[NH3+])C12CCCCC2 ZINC000423369804 387224618 /nfs/dbraw/zinc/22/46/18/387224618.db2.gz OSELUCJGJXTKJE-YNEHKIRRSA-N 2 1 240.391 2.051 20 0 BEADMP Cc1ccc([C@H]([NH2+][C@@H](C)C[NH3+])C2CC2)cc1 ZINC000423372044 387226190 /nfs/dbraw/zinc/22/61/90/387226190.db2.gz QWJUUGYMUBWNRM-FZMZJTMJSA-N 2 1 218.344 2.383 20 0 BEADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C[NH3+] ZINC000423371985 387226610 /nfs/dbraw/zinc/22/66/10/387226610.db2.gz QRZLZXBJFFSKEL-SMDDNHRTSA-N 2 1 238.350 2.330 20 0 BEADMP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+][C@H](C)C[NH3+] ZINC000423326339 387229247 /nfs/dbraw/zinc/22/92/47/387229247.db2.gz MRGKYIGINCQNRE-LOWVWBTDSA-N 2 1 218.344 2.480 20 0 BEADMP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+][C@H](C)C[NH3+] ZINC000423326335 387229638 /nfs/dbraw/zinc/22/96/38/387229638.db2.gz MRGKYIGINCQNRE-DMDPSCGWSA-N 2 1 218.344 2.480 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1(F)CC1 ZINC000572080594 387230585 /nfs/dbraw/zinc/23/05/85/387230585.db2.gz MGAFGFKDVUULTR-UHFFFAOYSA-N 2 1 225.311 2.016 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)CC1(F)CC1 ZINC000572080594 387230587 /nfs/dbraw/zinc/23/05/87/387230587.db2.gz MGAFGFKDVUULTR-UHFFFAOYSA-N 2 1 225.311 2.016 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000423400215 387235781 /nfs/dbraw/zinc/23/57/81/387235781.db2.gz QARNTNGNXSYQTE-SGMGOOAPSA-N 2 1 233.359 2.045 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000423406828 387243252 /nfs/dbraw/zinc/24/32/52/387243252.db2.gz VCZUAZPRSROULT-IINYFYTJSA-N 2 1 243.354 2.482 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000423406819 387244625 /nfs/dbraw/zinc/24/46/25/387244625.db2.gz VCZUAZPRSROULT-HZMBPMFUSA-N 2 1 243.354 2.482 20 0 BEADMP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423409723 387247058 /nfs/dbraw/zinc/24/70/58/387247058.db2.gz ZBPUVVLANGQORM-SGMGOOAPSA-N 2 1 247.386 2.293 20 0 BEADMP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423421141 387250874 /nfs/dbraw/zinc/25/08/74/387250874.db2.gz CBKCKQBZFSESGH-KZVDOYCCSA-N 2 1 246.379 2.031 20 0 BEADMP Cc1ccnc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC000423349307 387200479 /nfs/dbraw/zinc/20/04/79/387200479.db2.gz VMZKGHDMYHVRFA-UKRRQHHQSA-N 2 1 247.386 2.430 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000423376720 387257810 /nfs/dbraw/zinc/25/78/10/387257810.db2.gz YMNQBTMLBFVBSO-ZRJCITRHSA-N 2 1 222.376 2.153 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCC1CC1 ZINC000161717270 387259512 /nfs/dbraw/zinc/25/95/12/387259512.db2.gz JXOHPAMIXXVZAG-DYEKYZERSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCCC2CC2)CC[N@H+]1C ZINC000161713063 387259980 /nfs/dbraw/zinc/25/99/80/387259980.db2.gz WSAYBROODFHCRM-DGCLKSJQSA-N 2 1 210.365 2.249 20 0 BEADMP COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423386751 387271403 /nfs/dbraw/zinc/27/14/03/387271403.db2.gz ROSNDGGNVRIKSP-FRRDWIJNSA-N 2 1 248.370 2.486 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3occc32)CC[NH2+]1 ZINC000423386540 387271431 /nfs/dbraw/zinc/27/14/31/387271431.db2.gz SBBAZIYPZJWULC-NTZNESFSSA-N 2 1 234.343 2.387 20 0 BEADMP C[C@@H](C[NH3+])[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423389347 387274825 /nfs/dbraw/zinc/27/48/25/387274825.db2.gz JJMJGRKLZKSKAU-DCBWTQNWSA-N 2 1 240.391 2.194 20 0 BEADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000423433407 387283758 /nfs/dbraw/zinc/28/37/58/387283758.db2.gz CIFCUPUGVHXOAD-MXWKQRLJSA-N 2 1 249.358 2.031 20 0 BEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cnc(C)s1 ZINC000643499033 387284735 /nfs/dbraw/zinc/28/47/35/387284735.db2.gz NOZUUBOMKWAORF-VIFPVBQESA-N 2 1 227.377 2.102 20 0 BEADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc2c(s1)CCC2 ZINC000423434525 387286958 /nfs/dbraw/zinc/28/69/58/387286958.db2.gz OCBVZWJIWCOOPT-GJTWSCIVSA-N 2 1 248.395 2.105 20 0 BEADMP CCSCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000121034034 387290873 /nfs/dbraw/zinc/29/08/73/387290873.db2.gz PLJLBKPLNICDAH-LBPRGKRZSA-N 2 1 230.421 2.013 20 0 BEADMP CCSCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000121034034 387290878 /nfs/dbraw/zinc/29/08/78/387290878.db2.gz PLJLBKPLNICDAH-LBPRGKRZSA-N 2 1 230.421 2.013 20 0 BEADMP CCSCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000121034034 387290886 /nfs/dbraw/zinc/29/08/86/387290886.db2.gz PLJLBKPLNICDAH-LBPRGKRZSA-N 2 1 230.421 2.013 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000423440099 387291618 /nfs/dbraw/zinc/29/16/18/387291618.db2.gz AMSRVYMJWWJWCG-RYUDHWBXSA-N 2 1 236.359 2.392 20 0 BEADMP CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(F)cc1 ZINC000423443532 387293727 /nfs/dbraw/zinc/29/37/27/387293727.db2.gz VQOVJIACHAUDKS-RQJABVFESA-N 2 1 234.318 2.084 20 0 BEADMP CC1CC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459790941 387297855 /nfs/dbraw/zinc/29/78/55/387297855.db2.gz RCBPQPDTCZZUSA-CPCZMJQVSA-N 2 1 210.365 2.106 20 0 BEADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])CCC2 ZINC000423449744 387300025 /nfs/dbraw/zinc/30/00/25/387300025.db2.gz RZDMGIMPLMBYFE-ZIBATOQPSA-N 2 1 248.370 2.398 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1C[C@H]1C ZINC000321768445 387301626 /nfs/dbraw/zinc/30/16/26/387301626.db2.gz DXLMGEWOTBGLPA-LBELIVKGSA-N 2 1 210.365 2.103 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1C[C@H]1C ZINC000321768445 387301631 /nfs/dbraw/zinc/30/16/31/387301631.db2.gz DXLMGEWOTBGLPA-LBELIVKGSA-N 2 1 210.365 2.103 20 0 BEADMP Cc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000514873812 387302107 /nfs/dbraw/zinc/30/21/07/387302107.db2.gz XHJJXYRRXYHMCI-UHFFFAOYSA-N 2 1 218.344 2.180 20 0 BEADMP CC[C@@H](Cc1cccs1)[NH2+][C@H]1CC[NH2+]C1 ZINC000643499683 387303335 /nfs/dbraw/zinc/30/33/35/387303335.db2.gz AKDZHEDOUHJVBZ-QWRGUYRKSA-N 2 1 224.373 2.021 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000423456589 387303617 /nfs/dbraw/zinc/30/36/17/387303617.db2.gz DRRWBJXDYPQJHY-SKDRFNHKSA-N 2 1 210.296 2.214 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000423461019 387309398 /nfs/dbraw/zinc/30/93/98/387309398.db2.gz JFVSBUYPYVSPLS-JSGCOSHPSA-N 2 1 218.344 2.309 20 0 BEADMP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])c(C)c1 ZINC000423480631 387360416 /nfs/dbraw/zinc/36/04/16/387360416.db2.gz WHERPHHILWSSGO-WOPDTQHZSA-N 2 1 236.359 2.390 20 0 BEADMP C([NH2+]C1CCC2(CC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000643502272 387362856 /nfs/dbraw/zinc/36/28/56/387362856.db2.gz BFLYIEZPENYPPB-ZDUSSCGKSA-N 2 1 222.376 2.441 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2ccccc21 ZINC000423481488 387363587 /nfs/dbraw/zinc/36/35/87/387363587.db2.gz WTESXJWQWRYWOF-DGCLKSJQSA-N 2 1 204.317 2.001 20 0 BEADMP CC[C@H](C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423540180 387365979 /nfs/dbraw/zinc/36/59/79/387365979.db2.gz DAJJHZUIZUMWPK-UWVGGRQHSA-N 2 1 207.321 2.191 20 0 BEADMP C([NH2+][C@H]1CCCC12CCC2)[C@@H]1CCCC[NH2+]1 ZINC000643502694 387368056 /nfs/dbraw/zinc/36/80/56/387368056.db2.gz OCYKOBCUWQNEFH-STQMWFEESA-N 2 1 222.376 2.441 20 0 BEADMP CCC[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccccn1 ZINC000643453403 387369502 /nfs/dbraw/zinc/36/95/02/387369502.db2.gz QFBGVMYKUVGYQZ-BXUZGUMPSA-N 2 1 233.359 2.120 20 0 BEADMP c1cc2c(o1)CCC[C@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423559758 387376228 /nfs/dbraw/zinc/37/62/28/387376228.db2.gz OYNCAGDZBMNSOE-CYBMUJFWSA-N 2 1 234.343 2.389 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000423471787 387319749 /nfs/dbraw/zinc/31/97/49/387319749.db2.gz PZPJTNCHOKEXRM-RISCZKNCSA-N 2 1 234.343 2.009 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccccc1N(C)C ZINC000423472561 387319942 /nfs/dbraw/zinc/31/99/42/387319942.db2.gz QGPPNFUXJSXBPX-VXGBXAGGSA-N 2 1 235.375 2.141 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000423482996 387328508 /nfs/dbraw/zinc/32/85/08/387328508.db2.gz XRJJVWWKBFEQDD-HZMBPMFUSA-N 2 1 234.343 2.105 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000423485379 387332291 /nfs/dbraw/zinc/33/22/91/387332291.db2.gz ZFSKMZAUOOXVQL-SWLSCSKDSA-N 2 1 248.370 2.400 20 0 BEADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000575512102 387382999 /nfs/dbraw/zinc/38/29/99/387382999.db2.gz KRKKJSZENUJHEB-JSGCOSHPSA-N 2 1 218.344 2.259 20 0 BEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cnccc2C)C1 ZINC000354147989 387336796 /nfs/dbraw/zinc/33/67/96/387336796.db2.gz VVWLIYICKLXHAJ-CQSZACIVSA-N 2 1 247.386 2.212 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cnccc2C)C1 ZINC000354147989 387336801 /nfs/dbraw/zinc/33/68/01/387336801.db2.gz VVWLIYICKLXHAJ-CQSZACIVSA-N 2 1 247.386 2.212 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000354178731 387340333 /nfs/dbraw/zinc/34/03/33/387340333.db2.gz XQLVYIOZKBFTPA-RDBSUJKOSA-N 2 1 222.376 2.060 20 0 BEADMP C[C@@H]1C[C@H]1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000354178731 387340337 /nfs/dbraw/zinc/34/03/37/387340337.db2.gz XQLVYIOZKBFTPA-RDBSUJKOSA-N 2 1 222.376 2.060 20 0 BEADMP C[C@@H]1C[C@H]1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000354178731 387340341 /nfs/dbraw/zinc/34/03/41/387340341.db2.gz XQLVYIOZKBFTPA-RDBSUJKOSA-N 2 1 222.376 2.060 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423508227 387345349 /nfs/dbraw/zinc/34/53/49/387345349.db2.gz HWMZQDRQIHGBGP-ZFWWWQNUSA-N 2 1 248.370 2.024 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423508221 387345389 /nfs/dbraw/zinc/34/53/89/387345389.db2.gz HWMZQDRQIHGBGP-DZGCQCFKSA-N 2 1 248.370 2.024 20 0 BEADMP C[C@H](Cc1ccoc1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423518745 387352985 /nfs/dbraw/zinc/35/29/85/387352985.db2.gz ZRKOGZUNLVFRIU-RISCZKNCSA-N 2 1 236.359 2.318 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCOC[C@H]1C ZINC000515859441 387430936 /nfs/dbraw/zinc/43/09/36/387430936.db2.gz RNBUGZRFWBLHMN-MCIONIFRSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCOC[C@H]1C ZINC000515859441 387430939 /nfs/dbraw/zinc/43/09/39/387430939.db2.gz RNBUGZRFWBLHMN-MCIONIFRSA-N 2 1 242.407 2.121 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccccc2)CC1 ZINC000271789764 387447156 /nfs/dbraw/zinc/44/71/56/387447156.db2.gz GISNCLLHUYZECU-UHFFFAOYSA-N 2 1 216.328 2.038 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CC[NH2+]C2CC2)C[C@@H](C)C1 ZINC000643506745 387459912 /nfs/dbraw/zinc/45/99/12/387459912.db2.gz HGQKRQHALLEVMZ-PJXYFTJBSA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)c1cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])on1 ZINC000643455191 387390525 /nfs/dbraw/zinc/39/05/25/387390525.db2.gz DSINFAZVFKPNMI-ZYHUDNBSSA-N 2 1 237.347 2.015 20 0 BEADMP CC(C)[C@H]1CCC[C@@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643506910 387460464 /nfs/dbraw/zinc/46/04/64/387460464.db2.gz MIROEFOKNHEXSY-OLZOCXBDSA-N 2 1 210.365 2.153 20 0 BEADMP Cc1occc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000321544759 387403855 /nfs/dbraw/zinc/40/38/55/387403855.db2.gz LEHILBWPEQSWRR-LBPRGKRZSA-N 2 1 222.332 2.019 20 0 BEADMP Cc1occc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000321544759 387403861 /nfs/dbraw/zinc/40/38/61/387403861.db2.gz LEHILBWPEQSWRR-LBPRGKRZSA-N 2 1 222.332 2.019 20 0 BEADMP CC[C@@H](C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000361173607 387411243 /nfs/dbraw/zinc/41/12/43/387411243.db2.gz JWLTYZXZJSLAKL-CYBMUJFWSA-N 2 1 240.391 2.020 20 0 BEADMP CC(C)(C)CCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000304598009 387495350 /nfs/dbraw/zinc/49/53/50/387495350.db2.gz QEDQSSXKOFCJQI-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCSCC2)C1 ZINC000040622658 387500008 /nfs/dbraw/zinc/50/00/08/387500008.db2.gz GBLVZYISLAPOAF-LBPRGKRZSA-N 2 1 242.432 2.202 20 0 BEADMP CC(C)C1CC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000300046381 387521375 /nfs/dbraw/zinc/52/13/75/387521375.db2.gz ULXBDYQRRGDCIX-NELGMTEASA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)C1CC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000300046381 387521378 /nfs/dbraw/zinc/52/13/78/387521378.db2.gz ULXBDYQRRGDCIX-NELGMTEASA-N 2 1 224.392 2.493 20 0 BEADMP CO[C@H]1CC[N@H+](CCCC(C)(C)C)[C@H](C[NH3+])C1 ZINC000309996761 387532268 /nfs/dbraw/zinc/53/22/68/387532268.db2.gz YHRNEVZPNBXNDZ-STQMWFEESA-N 2 1 242.407 2.251 20 0 BEADMP CO[C@H]1CC[N@@H+](CCCC(C)(C)C)[C@H](C[NH3+])C1 ZINC000309996761 387532271 /nfs/dbraw/zinc/53/22/71/387532271.db2.gz YHRNEVZPNBXNDZ-STQMWFEESA-N 2 1 242.407 2.251 20 0 BEADMP COC[C@H](CC(C)C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000361772911 387533343 /nfs/dbraw/zinc/53/33/43/387533343.db2.gz ZAFCOAFTZRDVQL-RDBSUJKOSA-N 2 1 242.407 2.120 20 0 BEADMP COC[C@H](CC(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000361772911 387533347 /nfs/dbraw/zinc/53/33/47/387533347.db2.gz ZAFCOAFTZRDVQL-RDBSUJKOSA-N 2 1 242.407 2.120 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000300801438 387540268 /nfs/dbraw/zinc/54/02/68/387540268.db2.gz FBBKAEUAJVILLU-SNVBAGLBSA-N 2 1 232.318 2.106 20 0 BEADMP CCc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000352778738 387476379 /nfs/dbraw/zinc/47/63/79/387476379.db2.gz WJPWTWWNHLRVCV-SWLSCSKDSA-N 2 1 247.386 2.216 20 0 BEADMP CCc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000352778738 387476381 /nfs/dbraw/zinc/47/63/81/387476381.db2.gz WJPWTWWNHLRVCV-SWLSCSKDSA-N 2 1 247.386 2.216 20 0 BEADMP CCc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000352778735 387476911 /nfs/dbraw/zinc/47/69/11/387476911.db2.gz WJPWTWWNHLRVCV-DOMZBBRYSA-N 2 1 247.386 2.216 20 0 BEADMP CCc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000352778735 387476917 /nfs/dbraw/zinc/47/69/17/387476917.db2.gz WJPWTWWNHLRVCV-DOMZBBRYSA-N 2 1 247.386 2.216 20 0 BEADMP C(C[NH2+][C@H]1CCCC12CCCC2)[NH2+]C1CC1 ZINC000643507918 387482374 /nfs/dbraw/zinc/48/23/74/387482374.db2.gz WBEWBPIUBMAPRI-ZDUSSCGKSA-N 2 1 222.376 2.441 20 0 BEADMP COC[C@H](C)C[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000527115919 387483924 /nfs/dbraw/zinc/48/39/24/387483924.db2.gz GGFVBXYHQZHONI-MGPQQGTHSA-N 2 1 242.407 2.121 20 0 BEADMP COC[C@H](C)C[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000527115919 387483927 /nfs/dbraw/zinc/48/39/27/387483927.db2.gz GGFVBXYHQZHONI-MGPQQGTHSA-N 2 1 242.407 2.121 20 0 BEADMP c1ccc2c(c1)CCC([NH2+]CC[NH2+]C1CC1)CC2 ZINC000643507352 387483969 /nfs/dbraw/zinc/48/39/69/387483969.db2.gz ANYCETBCSXYOGX-UHFFFAOYSA-N 2 1 244.382 2.276 20 0 BEADMP C[C@H](CCCC(F)(F)F)[NH2+]CC[NH2+]C1CC1 ZINC000643507411 387484131 /nfs/dbraw/zinc/48/41/31/387484131.db2.gz CFRRFAJGFHMRHJ-SECBINFHSA-N 2 1 238.297 2.449 20 0 BEADMP Cc1ccncc1[C@@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000643508384 387488434 /nfs/dbraw/zinc/48/84/34/387488434.db2.gz YGEVWAYNTGPCCK-CYBMUJFWSA-N 2 1 235.375 2.429 20 0 BEADMP C1CC1[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000337641533 387593511 /nfs/dbraw/zinc/59/35/11/387593511.db2.gz GOXAHRRFPZTWFQ-BYCMXARLSA-N 2 1 234.387 2.391 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])c(C)n1 ZINC000643513351 387596143 /nfs/dbraw/zinc/59/61/43/387596143.db2.gz ZVKUDYDMSBIXFU-SNVBAGLBSA-N 2 1 221.348 2.086 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)c(C)n1 ZINC000643512598 387596896 /nfs/dbraw/zinc/59/68/96/387596896.db2.gz HZWVBWBNQHTZIT-BXUZGUMPSA-N 2 1 233.359 2.086 20 0 BEADMP CCCCOCCN1CC[C@H](C[N@@H+](C)CC)C1 ZINC000362348478 387597830 /nfs/dbraw/zinc/59/78/30/387597830.db2.gz JIGVCGGBLAOXQY-CQSZACIVSA-N 2 1 242.407 2.077 20 0 BEADMP CCCCOCC[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000362348478 387597836 /nfs/dbraw/zinc/59/78/36/387597836.db2.gz JIGVCGGBLAOXQY-CQSZACIVSA-N 2 1 242.407 2.077 20 0 BEADMP CCCCOCC[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000362348478 387597840 /nfs/dbraw/zinc/59/78/40/387597840.db2.gz JIGVCGGBLAOXQY-CQSZACIVSA-N 2 1 242.407 2.077 20 0 BEADMP CCCCOCC[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000362348478 387597845 /nfs/dbraw/zinc/59/78/45/387597845.db2.gz JIGVCGGBLAOXQY-CQSZACIVSA-N 2 1 242.407 2.077 20 0 BEADMP CCCCOCC[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000362348478 387597850 /nfs/dbraw/zinc/59/78/50/387597850.db2.gz JIGVCGGBLAOXQY-CQSZACIVSA-N 2 1 242.407 2.077 20 0 BEADMP CC(C)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000375998371 387599506 /nfs/dbraw/zinc/59/95/06/387599506.db2.gz GEPZXZVWHGBHFN-UHFFFAOYSA-N 2 1 224.392 2.450 20 0 BEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccnc(C)c2)C1 ZINC000527533017 387622641 /nfs/dbraw/zinc/62/26/41/387622641.db2.gz HBFYBXKAMPIDOL-HNNXBMFYSA-N 2 1 247.386 2.164 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccnc(C)c2)C1 ZINC000527533017 387622647 /nfs/dbraw/zinc/62/26/47/387622647.db2.gz HBFYBXKAMPIDOL-HNNXBMFYSA-N 2 1 247.386 2.164 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccnc(C)c2)C1 ZINC000527533017 387622654 /nfs/dbraw/zinc/62/26/54/387622654.db2.gz HBFYBXKAMPIDOL-HNNXBMFYSA-N 2 1 247.386 2.164 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccnc(C)c2)C1 ZINC000527533017 387622656 /nfs/dbraw/zinc/62/26/56/387622656.db2.gz HBFYBXKAMPIDOL-HNNXBMFYSA-N 2 1 247.386 2.164 20 0 BEADMP C[C@@](C[NH3+])([NH2+]Cc1ccc(F)cc1)C1CC1 ZINC000430545685 387626881 /nfs/dbraw/zinc/62/68/81/387626881.db2.gz IKYGQJZIWQFGBI-ZDUSSCGKSA-N 2 1 222.307 2.043 20 0 BEADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCCF)CC1 ZINC000375652377 387563204 /nfs/dbraw/zinc/56/32/04/387563204.db2.gz KZHSLTWDCSCNLL-LBPRGKRZSA-N 2 1 216.344 2.152 20 0 BEADMP CC(C)Oc1ccccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422720293 387633451 /nfs/dbraw/zinc/63/34/51/387633451.db2.gz SHZNRYPGSJCMAD-GFCCVEGCSA-N 2 1 248.370 2.171 20 0 BEADMP C[C@H]([NH2+]Cc1ccccc1Cl)C1C[NH2+]C1 ZINC000422727133 387635748 /nfs/dbraw/zinc/63/57/48/387635748.db2.gz GUUOEOVEFPHXFI-VIFPVBQESA-N 2 1 224.735 2.038 20 0 BEADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H]2CCC=CO2)CC1 ZINC000376475693 387637690 /nfs/dbraw/zinc/63/76/90/387637690.db2.gz BPNLQFIYHSROMQ-UONOGXRCSA-N 2 1 238.375 2.095 20 0 BEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCCC1 ZINC000422732540 387640764 /nfs/dbraw/zinc/64/07/64/387640764.db2.gz OXOGQAMYXNNCMU-IUODEOHRSA-N 2 1 232.371 2.477 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527636763 387647319 /nfs/dbraw/zinc/64/73/19/387647319.db2.gz DPTFUOZMFVDAFT-KNPMLCFXSA-N 2 1 248.414 2.495 20 0 BEADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccoc1 ZINC000643518390 387649805 /nfs/dbraw/zinc/64/98/05/387649805.db2.gz BQXDRCOEGBOIPH-WCQYABFASA-N 2 1 222.332 2.320 20 0 BEADMP CCC[C@H](CC)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000125483452 387656889 /nfs/dbraw/zinc/65/68/89/387656889.db2.gz KSEDWRBMDLJQQP-BFHYXJOUSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[C@H](CC)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000125483452 387656893 /nfs/dbraw/zinc/65/68/93/387656893.db2.gz KSEDWRBMDLJQQP-BFHYXJOUSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1ccccc1OCCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430924292 387660600 /nfs/dbraw/zinc/66/06/00/387660600.db2.gz AATSZAWQOYAEAX-AWEZNQCLSA-N 2 1 248.370 2.045 20 0 BEADMP Cc1ccccc1CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422756610 387661779 /nfs/dbraw/zinc/66/17/79/387661779.db2.gz LWOWQDABMPXESO-HIFRSBDPSA-N 2 1 232.371 2.125 20 0 BEADMP CCc1ccc(CC[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000430924475 387661768 /nfs/dbraw/zinc/66/17/68/387661768.db2.gz IHYWJEMLJLRUAW-HNNXBMFYSA-N 2 1 232.371 2.072 20 0 BEADMP C[C@@H]([NH2+]CCc1cccs1)c1c[nH+]ccc1N ZINC000422759541 387664179 /nfs/dbraw/zinc/66/41/79/387664179.db2.gz PLQTYBHBWCKQAC-SNVBAGLBSA-N 2 1 247.367 2.449 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)[C@@H]1C[C@H]1C1CC1 ZINC000527714010 387670088 /nfs/dbraw/zinc/67/00/88/387670088.db2.gz YDJWVYMNYCHPOS-XEZLXBQYSA-N 2 1 245.370 2.291 20 0 BEADMP Cc1cc(C)cc(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000422794155 387696208 /nfs/dbraw/zinc/69/62/08/387696208.db2.gz YRAFCZSDEPLYIC-ZBFHGGJFSA-N 2 1 246.398 2.434 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+](CCCOc2ccccc2)C1 ZINC000044530184 387684811 /nfs/dbraw/zinc/68/48/11/387684811.db2.gz GBEXMMYXBDXPIX-CQSZACIVSA-N 2 1 248.370 2.126 20 0 BEADMP CC(C)[C@H](O)CC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422788033 387685571 /nfs/dbraw/zinc/68/55/71/387685571.db2.gz VANHHNKOJYFUEA-RRFJBIMHSA-N 2 1 248.370 2.128 20 0 BEADMP CCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422786384 387687943 /nfs/dbraw/zinc/68/79/43/387687943.db2.gz QIISXFFQIMKBPG-ZIAGYGMSSA-N 2 1 218.344 2.218 20 0 BEADMP Cn1cc[nH+]c1CC1CC[NH+](CC2CCC2)CC1 ZINC000441314454 387745241 /nfs/dbraw/zinc/74/52/41/387745241.db2.gz YBKMSZCPDIFJRY-UHFFFAOYSA-N 2 1 247.386 2.475 20 0 BEADMP CC[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(F)cc1 ZINC000643526212 387748582 /nfs/dbraw/zinc/74/85/82/387748582.db2.gz URGITXVWXBSARK-SKDRFNHKSA-N 2 1 210.296 2.214 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CC23CC3)CC1 ZINC000527843071 387750188 /nfs/dbraw/zinc/75/01/88/387750188.db2.gz ABZCXWKLJRKCLP-AAEUAGOBSA-N 2 1 222.376 2.249 20 0 BEADMP CC[C@H]([NH2+]C[C@H](C)[NH3+])c1ccc(F)cc1 ZINC000643526210 387750561 /nfs/dbraw/zinc/75/05/61/387750561.db2.gz URGITXVWXBSARK-CABZTGNLSA-N 2 1 210.296 2.214 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cccnc32)CC[NH2+]1 ZINC000643526175 387750840 /nfs/dbraw/zinc/75/08/40/387750840.db2.gz RUDCHOOVYGMSGO-XBFCOCLRSA-N 2 1 245.370 2.189 20 0 BEADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](C)[NH3+] ZINC000643525726 387752671 /nfs/dbraw/zinc/75/26/71/387752671.db2.gz CRTFKENDBAAZKR-YGRLFVJLSA-N 2 1 234.343 2.009 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC12CC2 ZINC000527846513 387752675 /nfs/dbraw/zinc/75/26/75/387752675.db2.gz FPKRAKOIHQRHSD-SCRDCRAPSA-N 2 1 234.387 2.249 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCCS1)c1c[nH+]ccc1N ZINC000422874303 387752856 /nfs/dbraw/zinc/75/28/56/387752856.db2.gz NHTBYVDBEDVVBE-VHSXEESVSA-N 2 1 237.372 2.040 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCCS1)[C@H]1CCCC[NH2+]1 ZINC000422876866 387754691 /nfs/dbraw/zinc/75/46/91/387754691.db2.gz QUWKHNBHAHUXKQ-GRYCIOLGSA-N 2 1 228.405 2.002 20 0 BEADMP Cc1ccc2nc(C[NH2+][C@H](C)CCC[NH3+])[nH]c2c1 ZINC000422808681 387707920 /nfs/dbraw/zinc/70/79/20/387707920.db2.gz LIMXSXQTWGXPPV-LLVKDONJSA-N 2 1 246.358 2.088 20 0 BEADMP CCO[C@H](CC[NH2+][C@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000422814301 387711080 /nfs/dbraw/zinc/71/10/80/387711080.db2.gz UFQDSVVEBQCIBZ-HZSPNIEDSA-N 2 1 242.407 2.025 20 0 BEADMP CC[C@H]([NH2+]C[C@H](OC)C(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000422812437 387712339 /nfs/dbraw/zinc/71/23/39/387712339.db2.gz QIQVNLBTLAROEM-AVGNSLFASA-N 2 1 242.407 2.168 20 0 BEADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000422824502 387720481 /nfs/dbraw/zinc/72/04/81/387720481.db2.gz NWDHSLRWNRGWDR-MBNYWOFBSA-N 2 1 248.370 2.139 20 0 BEADMP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000422824503 387720830 /nfs/dbraw/zinc/72/08/30/387720830.db2.gz NWDHSLRWNRGWDR-YRGRVCCFSA-N 2 1 248.370 2.139 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CC12CC2 ZINC000527864756 387737485 /nfs/dbraw/zinc/73/74/85/387737485.db2.gz KLOGLHBIYSUOHG-YVECIDJPSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CC12CC2 ZINC000527864756 387737489 /nfs/dbraw/zinc/73/74/89/387737489.db2.gz KLOGLHBIYSUOHG-YVECIDJPSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000643527106 387762320 /nfs/dbraw/zinc/76/23/20/387762320.db2.gz DAPZOIULUCGSOY-ZWNOBZJWSA-N 2 1 218.344 2.346 20 0 BEADMP CC(C)c1csc(C[NH2+][C@H](C)C[C@H](C)[NH3+])n1 ZINC000422891111 387762563 /nfs/dbraw/zinc/76/25/63/387762563.db2.gz JZISXJFOSSYZTC-VHSXEESVSA-N 2 1 241.404 2.482 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000643528667 387769043 /nfs/dbraw/zinc/76/90/43/387769043.db2.gz MSIOADGWSNCKHX-QPUJVOFHSA-N 2 1 224.735 2.264 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000643528665 387769874 /nfs/dbraw/zinc/76/98/74/387769874.db2.gz MSIOADGWSNCKHX-PELKAZGASA-N 2 1 224.735 2.264 20 0 BEADMP CSc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643528624 387770126 /nfs/dbraw/zinc/77/01/26/387770126.db2.gz MELTXMRCERDBPW-ZJUUUORDSA-N 2 1 224.373 2.406 20 0 BEADMP CSc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643528623 387770417 /nfs/dbraw/zinc/77/04/17/387770417.db2.gz MELTXMRCERDBPW-VHSXEESVSA-N 2 1 224.373 2.406 20 0 BEADMP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643529411 387777766 /nfs/dbraw/zinc/77/77/66/387777766.db2.gz ZLYUGGCPTWEZDH-NEPJUHHUSA-N 2 1 236.359 2.472 20 0 BEADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643529412 387778053 /nfs/dbraw/zinc/77/80/53/387778053.db2.gz ZLYUGGCPTWEZDH-NWDGAFQWSA-N 2 1 236.359 2.472 20 0 BEADMP CCCC1(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422929199 387781044 /nfs/dbraw/zinc/78/10/44/387781044.db2.gz ORNWFJURQGSDNM-NEPJUHHUSA-N 2 1 210.365 2.154 20 0 BEADMP CCCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422901582 387787485 /nfs/dbraw/zinc/78/74/85/387787485.db2.gz SFMUYLAIYQSEJN-GJZGRUSLSA-N 2 1 248.370 2.445 20 0 BEADMP CCC[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432424863 387789011 /nfs/dbraw/zinc/78/90/11/387789011.db2.gz KEYPZWMOGLYQDQ-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432424863 387789014 /nfs/dbraw/zinc/78/90/14/387789014.db2.gz KEYPZWMOGLYQDQ-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422980134 387791584 /nfs/dbraw/zinc/79/15/84/387791584.db2.gz KZIDMKTVSVYNAZ-GZBFAFLISA-N 2 1 248.370 2.184 20 0 BEADMP C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422980133 387791755 /nfs/dbraw/zinc/79/17/55/387791755.db2.gz KZIDMKTVSVYNAZ-GUTXKFCHSA-N 2 1 248.370 2.184 20 0 BEADMP CCCC(O)(CCC)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422980176 387791963 /nfs/dbraw/zinc/79/19/63/387791963.db2.gz OTHASFRLQUHXKM-QWHCGFSZSA-N 2 1 242.407 2.048 20 0 BEADMP c1ccc([C@@H]2CC[C@@H]([NH2+][C@H]3CC[NH2+]C3)C2)cc1 ZINC000422987299 387798456 /nfs/dbraw/zinc/79/84/56/387798456.db2.gz IEUFMSZRTZBVRI-KFWWJZLASA-N 2 1 230.355 2.274 20 0 BEADMP Cc1ncccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000527983052 387800826 /nfs/dbraw/zinc/80/08/26/387800826.db2.gz BTTHFXRXLHLRCQ-TYNCELHUSA-N 2 1 247.386 2.208 20 0 BEADMP Cc1ncccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000527983052 387800828 /nfs/dbraw/zinc/80/08/28/387800828.db2.gz BTTHFXRXLHLRCQ-TYNCELHUSA-N 2 1 247.386 2.208 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000422995002 387801714 /nfs/dbraw/zinc/80/17/14/387801714.db2.gz WUJJJHQGJTUXDI-OUAUKWLOSA-N 2 1 232.318 2.152 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000422994598 387803507 /nfs/dbraw/zinc/80/35/07/387803507.db2.gz VWEOONVUFKEQAU-AXFHLTTASA-N 2 1 232.318 2.294 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000422999182 387805438 /nfs/dbraw/zinc/80/54/38/387805438.db2.gz DVIJNVRXOBAZAG-WCQYABFASA-N 2 1 222.376 2.154 20 0 BEADMP C[C@H]([NH2+]C1(c2cccc(F)c2)CC1)C1C[NH2+]C1 ZINC000422949521 387807468 /nfs/dbraw/zinc/80/74/68/387807468.db2.gz VLHCLYPATQLWGT-JTQLQIEISA-N 2 1 234.318 2.012 20 0 BEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCC1 ZINC000422954233 387808818 /nfs/dbraw/zinc/80/88/18/387808818.db2.gz HKQXHESKKIICEW-FZMZJTMJSA-N 2 1 218.344 2.087 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000643527040 387759480 /nfs/dbraw/zinc/75/94/80/387759480.db2.gz CFBIPNJURWATFP-GXFFZTMASA-N 2 1 204.317 2.075 20 0 BEADMP C[C@@H]([NH2+]CCc1ccccc1O)[C@@H]1CCCC[NH2+]1 ZINC000422973466 387821850 /nfs/dbraw/zinc/82/18/50/387821850.db2.gz OTRMWNJIPGDDJK-OCCSQVGLSA-N 2 1 248.370 2.055 20 0 BEADMP Cc1cnccc1CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423008382 387832087 /nfs/dbraw/zinc/83/20/87/387832087.db2.gz ABJOKCJOCZNILF-HIFRSBDPSA-N 2 1 247.386 2.053 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC12CCCC2)[C@H]1CCC[NH2+]1 ZINC000423075355 387873678 /nfs/dbraw/zinc/87/36/78/387873678.db2.gz OGLNIVZLJCSARS-IJLUTSLNSA-N 2 1 208.349 2.049 20 0 BEADMP C[N@@H+]1C[C@@H]2C[NH+](CCCC3CCCC3)C[C@@H]2C1 ZINC000193606677 387858811 /nfs/dbraw/zinc/85/88/11/387858811.db2.gz UNKDCEWIMVLXAI-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](CCCC3CCCC3)C[C@@H]2C1 ZINC000193606677 387858814 /nfs/dbraw/zinc/85/88/14/387858814.db2.gz UNKDCEWIMVLXAI-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP CCc1ccccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193645715 387859936 /nfs/dbraw/zinc/85/99/36/387859936.db2.gz XAROQLACVRGBMJ-IYBDPMFKSA-N 2 1 244.382 2.242 20 0 BEADMP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C1CC1 ZINC000036908632 387861421 /nfs/dbraw/zinc/86/14/21/387861421.db2.gz WUSBWJKUCHKNBM-BLFANLJRSA-N 2 1 210.365 2.103 20 0 BEADMP CC(C)C(C)(C)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423056447 387862207 /nfs/dbraw/zinc/86/22/07/387862207.db2.gz FTJRTFJFYUMYMQ-NEPJUHHUSA-N 2 1 212.381 2.256 20 0 BEADMP CCC(O)(CC)CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423066276 387869843 /nfs/dbraw/zinc/86/98/43/387869843.db2.gz DHSWEGUDQHVBBT-QWHCGFSZSA-N 2 1 242.407 2.048 20 0 BEADMP Cc1c[nH+]ccc1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000528207105 387871555 /nfs/dbraw/zinc/87/15/55/387871555.db2.gz AAQSZEIOENEDBM-CQSZACIVSA-N 2 1 245.370 2.241 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)c1ccco1)[C@@H]1CCC[NH2+]C1 ZINC000422964220 387814756 /nfs/dbraw/zinc/81/47/56/387814756.db2.gz KUHMDJOFSDODGN-GRYCIOLGSA-N 2 1 222.332 2.318 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000442660757 387816921 /nfs/dbraw/zinc/81/69/21/387816921.db2.gz MOKSMMHYXKVHCJ-OUCADQQQSA-N 2 1 218.344 2.212 20 0 BEADMP CC[C@@H]([NH2+]CCc1ccccc1O)[C@@H]1CCC[NH2+]1 ZINC000422970281 387818351 /nfs/dbraw/zinc/81/83/51/387818351.db2.gz FSYKGJRQBALZGC-KGLIPLIRSA-N 2 1 248.370 2.055 20 0 BEADMP CC1=CCC[C@@H](C)[C@H]1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194543023 387893268 /nfs/dbraw/zinc/89/32/68/387893268.db2.gz ADKJSMTXAOIOAS-WCVJEAGWSA-N 2 1 248.414 2.472 20 0 BEADMP CC1=CCC[C@@H](C)[C@H]1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194543023 387893273 /nfs/dbraw/zinc/89/32/73/387893273.db2.gz ADKJSMTXAOIOAS-WCVJEAGWSA-N 2 1 248.414 2.472 20 0 BEADMP CC1=CCC[C@@H](C)[C@H]1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000194543023 387893280 /nfs/dbraw/zinc/89/32/80/387893280.db2.gz ADKJSMTXAOIOAS-WCVJEAGWSA-N 2 1 248.414 2.472 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1C[C@@H]1C ZINC000322068554 387875904 /nfs/dbraw/zinc/87/59/04/387875904.db2.gz SECLLWXUOXFXOR-MRTXSQPYSA-N 2 1 224.392 2.493 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1C[C@@H]1C ZINC000322068554 387875908 /nfs/dbraw/zinc/87/59/08/387875908.db2.gz SECLLWXUOXFXOR-MRTXSQPYSA-N 2 1 224.392 2.493 20 0 BEADMP C[C@H]([NH3+])C[C@H](C)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000423163722 387899427 /nfs/dbraw/zinc/89/94/27/387899427.db2.gz RNTWLLBWAVDEEM-AVGNSLFASA-N 2 1 242.432 2.331 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCCC1(C)C ZINC000423137243 387913268 /nfs/dbraw/zinc/91/32/68/387913268.db2.gz QJJNECLRYLEGOM-FRRDWIJNSA-N 2 1 224.392 2.400 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000423138039 387915755 /nfs/dbraw/zinc/91/57/55/387915755.db2.gz RUMXLBMWUSBFSW-WCQYABFASA-N 2 1 224.392 2.400 20 0 BEADMP CCCc1nc(C)c(C[NH2+][C@H](C)C[C@H](C)[NH3+])o1 ZINC000423138541 387916500 /nfs/dbraw/zinc/91/65/00/387916500.db2.gz XVWTYCXIGLYZBD-VHSXEESVSA-N 2 1 239.363 2.151 20 0 BEADMP C=Cc1ccc(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000423139523 387916514 /nfs/dbraw/zinc/91/65/14/387916514.db2.gz LAQHEVZJPRNSPZ-CZUORRHYSA-N 2 1 244.382 2.460 20 0 BEADMP CC/C=C/C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423155076 387933800 /nfs/dbraw/zinc/93/38/00/387933800.db2.gz ITJYVUSLZHXWCS-ORAHPGNNSA-N 2 1 205.305 2.111 20 0 BEADMP CC/C=C\C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423155077 387935579 /nfs/dbraw/zinc/93/55/79/387935579.db2.gz ITJYVUSLZHXWCS-UMCURTJPSA-N 2 1 205.305 2.111 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000423157825 387936725 /nfs/dbraw/zinc/93/67/25/387936725.db2.gz VYKSHUMMMFJIRX-VWYCJHECSA-N 2 1 232.318 2.152 20 0 BEADMP CC[C@H]([NH2+]C1CC(C)(F)C1)[C@H]1CCCC[NH2+]1 ZINC000423144900 387920777 /nfs/dbraw/zinc/92/07/77/387920777.db2.gz IGECKRFHQYLHCX-CMOBGSAGSA-N 2 1 228.355 2.387 20 0 BEADMP CC[C@@H]([NH2+]CCC(C)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423145319 387922783 /nfs/dbraw/zinc/92/27/83/387922783.db2.gz KBTKKJGNATWCMO-ZJUUUORDSA-N 2 1 220.307 2.152 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000423150060 387927998 /nfs/dbraw/zinc/92/79/98/387927998.db2.gz YOKGPIHKTNRGQV-WOPDTQHZSA-N 2 1 246.345 2.400 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1(C)CC1 ZINC000044533950 387937177 /nfs/dbraw/zinc/93/71/77/387937177.db2.gz HQTBDDFTVQZHTD-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)CC[N@H+]1C ZINC000424287752 387951814 /nfs/dbraw/zinc/95/18/14/387951814.db2.gz HWUZDLKXFKCEFO-BEAPCOKYSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1C[C@H]1C ZINC000321159190 387955310 /nfs/dbraw/zinc/95/53/10/387955310.db2.gz XBTPULVAWUTXJN-QMVSFRDZSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H](CC[NH+](C)C)Nc1[nH+]c2ccccc2n1C ZINC000079046117 387938513 /nfs/dbraw/zinc/93/85/13/387938513.db2.gz KHXWQHAVSIXDDM-NSHDSACASA-N 2 1 246.358 2.325 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1C[C@H]1C ZINC000321056696 387938519 /nfs/dbraw/zinc/93/85/19/387938519.db2.gz HVZMEESONKCQFP-MBJXGIAVSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1C[C@H]1C ZINC000321056696 387938521 /nfs/dbraw/zinc/93/85/21/387938521.db2.gz HVZMEESONKCQFP-MBJXGIAVSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H](CCC[NH3+])[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000423161416 387942638 /nfs/dbraw/zinc/94/26/38/387942638.db2.gz NUOBNXWEWZNJFC-CHWSQXEVSA-N 2 1 242.432 2.333 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000321089844 387945488 /nfs/dbraw/zinc/94/54/88/387945488.db2.gz NGRCTPBNKSXJRZ-UPJWGTAASA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000321089844 387945493 /nfs/dbraw/zinc/94/54/93/387945493.db2.gz NGRCTPBNKSXJRZ-UPJWGTAASA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000321089847 387945607 /nfs/dbraw/zinc/94/56/07/387945607.db2.gz NGRCTPBNKSXJRZ-YNEHKIRRSA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000321089847 387945612 /nfs/dbraw/zinc/94/56/12/387945612.db2.gz NGRCTPBNKSXJRZ-YNEHKIRRSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]([NH2+]CC[NH3+])c1cccc(C2CC2)c1 ZINC000423177009 387961283 /nfs/dbraw/zinc/96/12/83/387961283.db2.gz DJOOQQDTTOYKOZ-SNVBAGLBSA-N 2 1 204.317 2.173 20 0 BEADMP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CC[NH3+])C1 ZINC000423176384 387962753 /nfs/dbraw/zinc/96/27/53/387962753.db2.gz BZDRVAYGRBGGJF-ZIAGYGMSSA-N 2 1 218.344 2.045 20 0 BEADMP CC[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245594210 387963850 /nfs/dbraw/zinc/96/38/50/387963850.db2.gz HBBJFUQGDKIZKQ-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245594210 387963855 /nfs/dbraw/zinc/96/38/55/387963855.db2.gz HBBJFUQGDKIZKQ-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000245594210 387963857 /nfs/dbraw/zinc/96/38/57/387963857.db2.gz HBBJFUQGDKIZKQ-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)CC(F)(F)F ZINC000423182880 387968148 /nfs/dbraw/zinc/96/81/48/387968148.db2.gz LVOSINCBDSENEB-AEJSXWLSSA-N 2 1 238.297 2.163 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccncc1 ZINC000453067926 387978804 /nfs/dbraw/zinc/97/88/04/387978804.db2.gz SFIQSVDKJLMBDD-ZFWWWQNUSA-N 2 1 247.386 2.464 20 0 BEADMP C[C@H]([NH2+]CC(C)(C)c1cccnc1)[C@H]1CCC[NH2+]1 ZINC000423196320 387981428 /nfs/dbraw/zinc/98/14/28/387981428.db2.gz ZJJJVTLQCKMHAG-GXTWGEPZSA-N 2 1 247.386 2.089 20 0 BEADMP CC(C)[C@H](CSc1ccccc1)[NH2+]CC[NH3+] ZINC000423186484 387972459 /nfs/dbraw/zinc/97/24/59/387972459.db2.gz OKGAGBXRBQCANM-ZDUSSCGKSA-N 2 1 238.400 2.352 20 0 BEADMP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC[NH3+] ZINC000423189214 387972825 /nfs/dbraw/zinc/97/28/25/387972825.db2.gz QNPSGUNDSKHKFM-ZJUUUORDSA-N 2 1 249.383 2.337 20 0 BEADMP CC[C@H]1CC[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423188570 387973392 /nfs/dbraw/zinc/97/33/92/387973392.db2.gz OBZOIOIMRFBKOY-GJZGRUSLSA-N 2 1 247.386 2.340 20 0 BEADMP c1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868239 387973744 /nfs/dbraw/zinc/97/37/44/387973744.db2.gz IONPZCPSSSCTFZ-HZPDHXFCSA-N 2 1 244.382 2.446 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423188571 387973818 /nfs/dbraw/zinc/97/38/18/387973818.db2.gz OBZOIOIMRFBKOY-HUUCEWRRSA-N 2 1 247.386 2.340 20 0 BEADMP c1ccc(C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423191274 387976523 /nfs/dbraw/zinc/97/65/23/387976523.db2.gz OWLBUENDFMWBPH-HZPDHXFCSA-N 2 1 244.382 2.349 20 0 BEADMP CC(C)=CCC[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423192143 387977657 /nfs/dbraw/zinc/97/76/57/387977657.db2.gz PNYDHRXVCVLODA-STQMWFEESA-N 2 1 210.365 2.463 20 0 BEADMP [NH3+]CC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000423192034 387977798 /nfs/dbraw/zinc/97/77/98/387977798.db2.gz VEPULRPNHJWIGW-QWHCGFSZSA-N 2 1 222.307 2.010 20 0 BEADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[NH3+] ZINC000423193072 387977917 /nfs/dbraw/zinc/97/79/17/387977917.db2.gz WLMSSTFOBLLGLW-SECBINFHSA-N 2 1 246.276 2.185 20 0 BEADMP [NH3+]CC[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000423192033 387978054 /nfs/dbraw/zinc/97/80/54/387978054.db2.gz VEPULRPNHJWIGW-OLZOCXBDSA-N 2 1 222.307 2.010 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453068858 387978461 /nfs/dbraw/zinc/97/84/61/387978461.db2.gz TVYMFRFXPSYVCW-IUODEOHRSA-N 2 1 236.403 2.497 20 0 BEADMP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000423202234 387988245 /nfs/dbraw/zinc/98/82/45/387988245.db2.gz QJOFOPKKMHANNA-VIFPVBQESA-N 2 1 228.286 2.225 20 0 BEADMP C[NH2+]CCC[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000423199157 387985209 /nfs/dbraw/zinc/98/52/09/387985209.db2.gz JIBLEEJVTWTTEX-SECBINFHSA-N 2 1 228.286 2.225 20 0 BEADMP C[NH2+]CCC[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000423200049 387986123 /nfs/dbraw/zinc/98/61/23/387986123.db2.gz LNSPFLFUSIEKTC-SNVBAGLBSA-N 2 1 240.322 2.094 20 0 BEADMP Cc1ccnc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000423214583 387997725 /nfs/dbraw/zinc/99/77/25/387997725.db2.gz PFXVEBGAQRJSFE-CHWSQXEVSA-N 2 1 233.359 2.040 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1cccc(F)c1F ZINC000420409310 387999354 /nfs/dbraw/zinc/99/93/54/387999354.db2.gz QLDGAYBAALHYLT-VHSXEESVSA-N 2 1 240.297 2.225 20 0 BEADMP COC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000156568307 388000349 /nfs/dbraw/zinc/00/03/49/388000349.db2.gz NRNSRKRTDPIDDY-AVGNSLFASA-N 2 1 242.407 2.262 20 0 BEADMP COC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156568307 388000350 /nfs/dbraw/zinc/00/03/50/388000350.db2.gz NRNSRKRTDPIDDY-AVGNSLFASA-N 2 1 242.407 2.262 20 0 BEADMP c1cncc([C@@H]2CCC[C@H]([NH2+][C@H]3CC[NH2+]C3)C2)c1 ZINC000423210321 387996170 /nfs/dbraw/zinc/99/61/70/387996170.db2.gz HJGMFRGDQRSOLZ-SNPRPXQTSA-N 2 1 245.370 2.059 20 0 BEADMP C[NH2+]CC[NH2+][C@@H](Cc1ccccc1C)C1CC1 ZINC000423240009 388024538 /nfs/dbraw/zinc/02/45/38/388024538.db2.gz GRSQJNXHGQGGBM-HNNXBMFYSA-N 2 1 232.371 2.125 20 0 BEADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000530460310 322813641 /nfs/dbraw/zinc/81/36/41/322813641.db2.gz JXITUXYYOGSRTJ-UONOGXRCSA-N 2 1 235.375 2.377 20 0 BEADMP CC[C@H](C)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246151567 388013786 /nfs/dbraw/zinc/01/37/86/388013786.db2.gz CDPFHFWLGWJEDL-KBPBESRZSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH2+]CC[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000423227767 388013884 /nfs/dbraw/zinc/01/38/84/388013884.db2.gz WYFDDWUTYGXPSB-HNNXBMFYSA-N 2 1 232.371 2.125 20 0 BEADMP CC[C@H](C)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246158475 388014421 /nfs/dbraw/zinc/01/44/21/388014421.db2.gz CZETXKOTKWDPAU-RWMBFGLXSA-N 2 1 212.381 2.447 20 0 BEADMP CC[C@H](C)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246158475 388014423 /nfs/dbraw/zinc/01/44/23/388014423.db2.gz CZETXKOTKWDPAU-RWMBFGLXSA-N 2 1 212.381 2.447 20 0 BEADMP CC[C@H](C)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246158475 388014426 /nfs/dbraw/zinc/01/44/26/388014426.db2.gz CZETXKOTKWDPAU-RWMBFGLXSA-N 2 1 212.381 2.447 20 0 BEADMP CC[C@H](C)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246158475 388014429 /nfs/dbraw/zinc/01/44/29/388014429.db2.gz CZETXKOTKWDPAU-RWMBFGLXSA-N 2 1 212.381 2.447 20 0 BEADMP C[NH2+]CC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423234988 388019402 /nfs/dbraw/zinc/01/94/02/388019402.db2.gz AFAQTMRPVMGJNL-UHFFFAOYSA-N 2 1 240.391 2.066 20 0 BEADMP CCCC[C@H](C)[C@H](C)[NH2+]CC[NH2+]CC ZINC000423239011 388022856 /nfs/dbraw/zinc/02/28/56/388022856.db2.gz RNFVROBRYKPQRF-RYUDHWBXSA-N 2 1 200.370 2.400 20 0 BEADMP CCCCO[C@H]1C[C@H]([NH2+]CC[NH2+]CC)C1(C)C ZINC000423252194 388033523 /nfs/dbraw/zinc/03/35/23/388033523.db2.gz XIFTXXAGSYWJCS-STQMWFEESA-N 2 1 242.407 2.169 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H](CC)C1CC1 ZINC000156819513 388037782 /nfs/dbraw/zinc/03/77/82/388037782.db2.gz FPYQVZGRTYZSIT-ZDUSSCGKSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H](CC)C1CC1 ZINC000156819513 388037784 /nfs/dbraw/zinc/03/77/84/388037784.db2.gz FPYQVZGRTYZSIT-ZDUSSCGKSA-N 2 1 212.381 2.497 20 0 BEADMP COC[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)C(C)C ZINC000423258138 388037981 /nfs/dbraw/zinc/03/79/81/388037981.db2.gz BDAKDAMZIUQBQR-KGLIPLIRSA-N 2 1 242.407 2.155 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCC12CCC2 ZINC000423257882 388038725 /nfs/dbraw/zinc/03/87/25/388038725.db2.gz ANAOBHKJWWCISB-NEPJUHHUSA-N 2 1 210.365 2.282 20 0 BEADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccsc1 ZINC000423265938 388044553 /nfs/dbraw/zinc/04/45/53/388044553.db2.gz BKZIKAOOYIPSIM-LDYMZIIASA-N 2 1 210.346 2.136 20 0 BEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)Cc1ccoc1 ZINC000423264316 388042608 /nfs/dbraw/zinc/04/26/08/388042608.db2.gz PVWPOIKFBPPPGZ-YPMHNXCESA-N 2 1 224.348 2.174 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000423265330 388043773 /nfs/dbraw/zinc/04/37/73/388043773.db2.gz CVJWDZBBWOGGON-HUUCEWRRSA-N 2 1 247.386 2.496 20 0 BEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc2c(c1)COC2 ZINC000423265891 388044125 /nfs/dbraw/zinc/04/41/25/388044125.db2.gz BHIBIMSRXBJOTQ-BONVTDFDSA-N 2 1 246.354 2.105 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000423247395 388029659 /nfs/dbraw/zinc/02/96/59/388029659.db2.gz PBAWILXRHVXRLY-ZIAGYGMSSA-N 2 1 247.386 2.225 20 0 BEADMP C[NH2+]CC[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000423247392 388030289 /nfs/dbraw/zinc/03/02/89/388030289.db2.gz PBAWILXRHVXRLY-KBPBESRZSA-N 2 1 247.386 2.225 20 0 BEADMP CC[NH2+]CC[NH2+][C@H]1C[C@@H](OCC)C1(CC)CC ZINC000423246211 388030754 /nfs/dbraw/zinc/03/07/54/388030754.db2.gz MZVQWZONABTOAW-QWHCGFSZSA-N 2 1 242.407 2.169 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000423271977 388052007 /nfs/dbraw/zinc/05/20/07/388052007.db2.gz JNDRSFLUHLLPKC-ZJUUUORDSA-N 2 1 242.313 2.471 20 0 BEADMP Cc1ccsc1[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423273452 388053141 /nfs/dbraw/zinc/05/31/41/388053141.db2.gz IXGZCBRQGFYHON-GXSJLCMTSA-N 2 1 224.373 2.444 20 0 BEADMP [NH3+]C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)C1CC1 ZINC000423275023 388054423 /nfs/dbraw/zinc/05/44/23/388054423.db2.gz LHZLZFGBYWVDSD-UONOGXRCSA-N 2 1 234.318 2.140 20 0 BEADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000453350585 388055738 /nfs/dbraw/zinc/05/57/38/388055738.db2.gz LOJOATCZCYOPRJ-XDQVBPFNSA-N 2 1 224.392 2.208 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCc2occc21 ZINC000423275834 388056468 /nfs/dbraw/zinc/05/64/68/388056468.db2.gz NRGZKKXFTWWWEB-ZYHUDNBSSA-N 2 1 222.332 2.102 20 0 BEADMP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H]([NH3+])C(C)C ZINC000423277445 388058602 /nfs/dbraw/zinc/05/86/02/388058602.db2.gz PPSBXRKOBQRMKY-KBPBESRZSA-N 2 1 248.370 2.255 20 0 BEADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000083701085 388059047 /nfs/dbraw/zinc/05/90/47/388059047.db2.gz OKPGHPGGXNNHFU-MGPQQGTHSA-N 2 1 222.376 2.251 20 0 BEADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000083701135 388059543 /nfs/dbraw/zinc/05/95/43/388059543.db2.gz IRPUNYSVHOHOHY-UONOGXRCSA-N 2 1 222.376 2.251 20 0 BEADMP Cc1ccccc1[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423279002 388059902 /nfs/dbraw/zinc/05/99/02/388059902.db2.gz QSLPCVOWJLYYJT-SMDDNHRTSA-N 2 1 218.344 2.383 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccncc1 ZINC000423277984 388060367 /nfs/dbraw/zinc/06/03/67/388060367.db2.gz QEYZBBCJQALBOY-OLZOCXBDSA-N 2 1 221.348 2.106 20 0 BEADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(OC)cc1 ZINC000423279883 388061983 /nfs/dbraw/zinc/06/19/83/388061983.db2.gz RYEYMKDODFNTCV-GJZGRUSLSA-N 2 1 248.370 2.473 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000423280432 388061990 /nfs/dbraw/zinc/06/19/90/388061990.db2.gz UDJROWLSSCAKBN-UONOGXRCSA-N 2 1 248.370 2.343 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000423280433 388062428 /nfs/dbraw/zinc/06/24/28/388062428.db2.gz UDJROWLSSCAKBN-ZIAGYGMSSA-N 2 1 248.370 2.343 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@H](C)O1 ZINC000453389446 388066859 /nfs/dbraw/zinc/06/68/59/388066859.db2.gz CKGXFVVMLJCCNM-DYEKYZERSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@H](C)O1 ZINC000453389447 388068005 /nfs/dbraw/zinc/06/80/05/388068005.db2.gz CKGXFVVMLJCCNM-MBNYWOFBSA-N 2 1 240.391 2.016 20 0 BEADMP CCC[C@@H]([NH2+]C[C@H](C)C[NH2+]C)c1ccccn1 ZINC000423285577 388068386 /nfs/dbraw/zinc/06/83/86/388068386.db2.gz ZPMJXKZLUBWSAI-CHWSQXEVSA-N 2 1 235.375 2.368 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cccc(F)c1F ZINC000423285050 388068496 /nfs/dbraw/zinc/06/84/96/388068496.db2.gz ZFIHLJCKOSLSHF-VHSXEESVSA-N 2 1 242.313 2.471 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000423285683 388068718 /nfs/dbraw/zinc/06/87/18/388068718.db2.gz ZTOUTALUQAJZGA-NXEZZACHSA-N 2 1 242.313 2.471 20 0 BEADMP CCn1cc([C@@H](C)[NH2+]CC([NH3+])(CC)CC)cn1 ZINC000423286739 388071664 /nfs/dbraw/zinc/07/16/64/388071664.db2.gz IMIVQHDGLVNKOY-LLVKDONJSA-N 2 1 238.379 2.071 20 0 BEADMP C[C@H]1CCC[C@H](C[NH2+]C2CC[NH+](C)CC2)C1 ZINC000084340860 388076418 /nfs/dbraw/zinc/07/64/18/388076418.db2.gz ULTNISVWZAPNJP-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP C[N@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC000084538379 388078839 /nfs/dbraw/zinc/07/88/39/388078839.db2.gz WPYNQBPLOKNYAO-UHFFFAOYSA-N 2 1 240.297 2.149 20 0 BEADMP C[N@@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC000084538379 388078844 /nfs/dbraw/zinc/07/88/44/388078844.db2.gz WPYNQBPLOKNYAO-UHFFFAOYSA-N 2 1 240.297 2.149 20 0 BEADMP CC[C@@H](C)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000453581265 388086318 /nfs/dbraw/zinc/08/63/18/388086318.db2.gz LEDXHPVATZDKAP-SNVBAGLBSA-N 2 1 207.321 2.036 20 0 BEADMP CC(C)[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000324266135 388115770 /nfs/dbraw/zinc/11/57/70/388115770.db2.gz MPIYNNKVIKPTTH-QWHCGFSZSA-N 2 1 210.365 2.153 20 0 BEADMP C(C[N@H+]1C[C@@H]2CCC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000162728888 388106799 /nfs/dbraw/zinc/10/67/99/388106799.db2.gz DNFGVZUXGHICIJ-MELADBBJSA-N 2 1 222.376 2.108 20 0 BEADMP CC(C)[C@@H](C)[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000086702082 388107148 /nfs/dbraw/zinc/10/71/48/388107148.db2.gz CCBOMXSBPVNABF-GFCCVEGCSA-N 2 1 224.392 2.495 20 0 BEADMP COc1cccc2c1CC[C@H]2[NH2+][C@H](C[NH3+])C1CC1 ZINC000423266692 388045680 /nfs/dbraw/zinc/04/56/80/388045680.db2.gz BYCCHSYQVPFQHG-ZIAGYGMSSA-N 2 1 246.354 2.009 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC12CCCC2)C1CC1 ZINC000423267638 388046382 /nfs/dbraw/zinc/04/63/82/388046382.db2.gz CZLVLXWNHWQZBK-NWDGAFQWSA-N 2 1 208.349 2.036 20 0 BEADMP Cc1cccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000423268512 388047169 /nfs/dbraw/zinc/04/71/69/388047169.db2.gz DWPMCYKNCBRCCZ-RISCZKNCSA-N 2 1 218.344 2.383 20 0 BEADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)CC2 ZINC000423270592 388048988 /nfs/dbraw/zinc/04/89/88/388048988.db2.gz ICSILLFYEPVABM-GJZGRUSLSA-N 2 1 248.370 2.255 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1sccc1OC ZINC000423270357 388050144 /nfs/dbraw/zinc/05/01/44/388050144.db2.gz HVWDILRPXWPTFF-ZJUUUORDSA-N 2 1 242.388 2.263 20 0 BEADMP CC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccncc1 ZINC000423270436 388050173 /nfs/dbraw/zinc/05/01/73/388050173.db2.gz WRKAFYDIPWJRKU-UONOGXRCSA-N 2 1 235.375 2.496 20 0 BEADMP C[NH+](C)CCC[NH2+]Cc1cccc2ccoc21 ZINC000449063230 388137420 /nfs/dbraw/zinc/13/74/20/388137420.db2.gz MAGHMGCQZOJLPU-UHFFFAOYSA-N 2 1 232.327 2.474 20 0 BEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)CC(C)(C)C ZINC000449076457 388139959 /nfs/dbraw/zinc/13/99/59/388139959.db2.gz HMVQNIOBLRQHTP-ZDUSSCGKSA-N 2 1 244.423 2.369 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CC[C@H](C)C1 ZINC000165123236 388250849 /nfs/dbraw/zinc/25/08/49/388250849.db2.gz UTWGXNNTVBHEKZ-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CC[C@H](C)C1 ZINC000165123236 388250851 /nfs/dbraw/zinc/25/08/51/388250851.db2.gz UTWGXNNTVBHEKZ-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(C)c2)[C@H](C)C1 ZINC000449402887 388195516 /nfs/dbraw/zinc/19/55/16/388195516.db2.gz NQMREMRKCPZOHM-IUODEOHRSA-N 2 1 247.386 2.210 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(C)c2)[C@H](C)C1 ZINC000449402887 388195517 /nfs/dbraw/zinc/19/55/17/388195517.db2.gz NQMREMRKCPZOHM-IUODEOHRSA-N 2 1 247.386 2.210 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)C2CC2)[C@@H](C)C1 ZINC000449440038 388206887 /nfs/dbraw/zinc/20/68/87/388206887.db2.gz KAAVRKKGRUQBIK-DMDPSCGWSA-N 2 1 210.365 2.105 20 0 BEADMP C[N@@H+](CCCn1ccnc1)[C@H]1CC1(C)C ZINC000489431736 388214162 /nfs/dbraw/zinc/21/41/62/388214162.db2.gz RSXWVGGZKRMIGA-NSHDSACASA-N 2 1 207.321 2.004 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000449485825 388215885 /nfs/dbraw/zinc/21/58/85/388215885.db2.gz ROIROUFOMRXRIZ-YIYPIFLZSA-N 2 1 224.392 2.352 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CC1(C)C ZINC000489458809 388216635 /nfs/dbraw/zinc/21/66/35/388216635.db2.gz SGEOVDFKSLUVSA-GFCCVEGCSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CC1(C)C ZINC000489458809 388216637 /nfs/dbraw/zinc/21/66/37/388216637.db2.gz SGEOVDFKSLUVSA-GFCCVEGCSA-N 2 1 221.348 2.312 20 0 BEADMP C[C@@H](Cc1ccoc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561258 388232533 /nfs/dbraw/zinc/23/25/33/388232533.db2.gz TWGOTNVPZXUEOL-PRTUASRFSA-N 2 1 248.370 2.425 20 0 BEADMP CC[C@H]1CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561478 388232680 /nfs/dbraw/zinc/23/26/80/388232680.db2.gz VNWBGGMUHYIRLH-APYLGABCSA-N 2 1 222.376 2.390 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561480 388232791 /nfs/dbraw/zinc/23/27/91/388232791.db2.gz VNWBGGMUHYIRLH-RKFYDKJMSA-N 2 1 222.376 2.390 20 0 BEADMP CC[C@H]([NH2+][C@H](C)C[NH3+])c1ccc(C)cc1 ZINC000234050706 388352420 /nfs/dbraw/zinc/35/24/20/388352420.db2.gz BCIUVVHQDKLOMR-YPMHNXCESA-N 2 1 206.333 2.383 20 0 BEADMP CSc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000235118559 388365169 /nfs/dbraw/zinc/36/51/69/388365169.db2.gz WJIDEEUXEXZHCD-VHSXEESVSA-N 2 1 224.373 2.406 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000235460235 388369443 /nfs/dbraw/zinc/36/94/43/388369443.db2.gz JCMULZMCBMJUIK-IWSPIJDZSA-N 2 1 224.270 2.044 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC2CCSCC2)CC[N@H+]1C ZINC000133657895 388388554 /nfs/dbraw/zinc/38/85/54/388388554.db2.gz HSGPWRDXQASNIR-DGCLKSJQSA-N 2 1 242.432 2.202 20 0 BEADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CC1(C)C ZINC000397580201 388480543 /nfs/dbraw/zinc/48/05/43/388480543.db2.gz HAXIBJAHGBGZGO-CHWSQXEVSA-N 2 1 224.392 2.495 20 0 BEADMP CSCCC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308628479 388446176 /nfs/dbraw/zinc/44/61/76/388446176.db2.gz PVASBJAGQKHFSD-UHFFFAOYSA-N 2 1 230.421 2.204 20 0 BEADMP FC1(C[NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000525989061 388452847 /nfs/dbraw/zinc/45/28/47/388452847.db2.gz XVNUSLARNGNEEE-UHFFFAOYSA-N 2 1 240.366 2.485 20 0 BEADMP c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252674329 388455327 /nfs/dbraw/zinc/45/53/27/388455327.db2.gz QFWSRKSYZUNQFS-GJZGRUSLSA-N 2 1 230.355 2.403 20 0 BEADMP c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252674328 388455342 /nfs/dbraw/zinc/45/53/42/388455342.db2.gz QFWSRKSYZUNQFS-CABCVRRESA-N 2 1 230.355 2.403 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)nc1 ZINC000397264796 388455551 /nfs/dbraw/zinc/45/55/51/388455551.db2.gz IQWDKXVMOISJGX-MJBXVCDLSA-N 2 1 247.386 2.195 20 0 BEADMP Cc1ncccc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397264293 388455964 /nfs/dbraw/zinc/45/59/64/388455964.db2.gz IOWKMBYEMAIDHS-JMSVASOKSA-N 2 1 247.386 2.195 20 0 BEADMP CCC[C@@H](C)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309532862 388456650 /nfs/dbraw/zinc/45/66/50/388456650.db2.gz WKOATDYKFWGMSH-MCIONIFRSA-N 2 1 224.392 2.354 20 0 BEADMP CCC[C@H](C)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309532863 388456707 /nfs/dbraw/zinc/45/67/07/388456707.db2.gz WKOATDYKFWGMSH-MELADBBJSA-N 2 1 224.392 2.354 20 0 BEADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)CCC[NH2+]C)C1 ZINC000336719422 388468103 /nfs/dbraw/zinc/46/81/03/388468103.db2.gz YEMQVQMZHDTJJW-VXGBXAGGSA-N 2 1 230.421 2.202 20 0 BEADMP CC(C)C[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000307824514 388427704 /nfs/dbraw/zinc/42/77/04/388427704.db2.gz XIOYNJJQUXQFRW-KBPBESRZSA-N 2 1 224.392 2.354 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CCC2)[C@H](C)C1 ZINC000175721104 388438597 /nfs/dbraw/zinc/43/85/97/388438597.db2.gz IDHMLTMCCNZIHW-TZMCWYRMSA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CCC2)[C@H](C)C1 ZINC000175721104 388438598 /nfs/dbraw/zinc/43/85/98/388438598.db2.gz IDHMLTMCCNZIHW-TZMCWYRMSA-N 2 1 224.392 2.449 20 0 BEADMP F[C@@H]1CCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340529479 388492667 /nfs/dbraw/zinc/49/26/67/388492667.db2.gz JVIAENNPGYMVAX-XQHKEYJVSA-N 2 1 226.339 2.093 20 0 BEADMP F[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340529479 388492670 /nfs/dbraw/zinc/49/26/70/388492670.db2.gz JVIAENNPGYMVAX-XQHKEYJVSA-N 2 1 226.339 2.093 20 0 BEADMP F[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340529479 388492671 /nfs/dbraw/zinc/49/26/71/388492671.db2.gz JVIAENNPGYMVAX-XQHKEYJVSA-N 2 1 226.339 2.093 20 0 BEADMP C1[C@@H]2C[C@@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C[C@H]12 ZINC000397749363 388496478 /nfs/dbraw/zinc/49/64/78/388496478.db2.gz OQNQRWGVYOPSGC-ZUWCUPBKSA-N 2 1 220.360 2.001 20 0 BEADMP CC(C)C[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346832535 388520451 /nfs/dbraw/zinc/52/04/51/388520451.db2.gz QXEGAEZHXGSDSM-ZIAGYGMSSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346842709 388520511 /nfs/dbraw/zinc/52/05/11/388520511.db2.gz IKDRWOKRBYQDHF-UXXRCYHCSA-N 2 1 236.403 2.482 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@@H]2C)C1 ZINC000346663851 388520826 /nfs/dbraw/zinc/52/08/26/388520826.db2.gz XDRUCEFOGTUPED-IGQOVBAYSA-N 2 1 224.392 2.482 20 0 BEADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](C[NH3+])C2)C1 ZINC000347093875 388521718 /nfs/dbraw/zinc/52/17/18/388521718.db2.gz GUQGYRUDRCRMGF-HZSPNIEDSA-N 2 1 224.392 2.483 20 0 BEADMP C/C(Cl)=C/CN1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000528508129 388536489 /nfs/dbraw/zinc/53/64/89/388536489.db2.gz LQTDRZCBVWQJKI-JUYDSFNJSA-N 2 1 228.767 2.298 20 0 BEADMP C[C@H]1CCC[C@@H](C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)C1 ZINC000220396911 388604844 /nfs/dbraw/zinc/60/48/44/388604844.db2.gz GXQFRDSJRVWWGQ-LJISPDSOSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1[nH+]ccn1CCC[NH+]1[C@H](C)C[C@H]1C ZINC000548753049 388557525 /nfs/dbraw/zinc/55/75/25/388557525.db2.gz KGNVUUBDXPRKLM-GHMZBOCLSA-N 2 1 207.321 2.064 20 0 BEADMP CCSCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000245445643 388579862 /nfs/dbraw/zinc/57/98/62/388579862.db2.gz ZBRAWCMEJDBGLS-STQMWFEESA-N 2 1 244.448 2.402 20 0 BEADMP CCSCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000245445643 388579865 /nfs/dbraw/zinc/57/98/65/388579865.db2.gz ZBRAWCMEJDBGLS-STQMWFEESA-N 2 1 244.448 2.402 20 0 BEADMP CCSCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000245445643 388579866 /nfs/dbraw/zinc/57/98/66/388579866.db2.gz ZBRAWCMEJDBGLS-STQMWFEESA-N 2 1 244.448 2.402 20 0 BEADMP CC[C@H](O)C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000521029776 256834418 /nfs/dbraw/zinc/83/44/18/256834418.db2.gz QXRZLJLVOVPQAK-KBPBESRZSA-N 2 1 242.407 2.002 20 0 BEADMP Cc1ccnc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)c1 ZINC000552065707 388666538 /nfs/dbraw/zinc/66/65/38/388666538.db2.gz KNGMJJWKMDBZSL-GFCCVEGCSA-N 2 1 244.342 2.017 20 0 BEADMP CC[C@H](C)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000248373987 388677365 /nfs/dbraw/zinc/67/73/65/388677365.db2.gz NBMUDDKVYMFFPT-STQMWFEESA-N 2 1 212.381 2.449 20 0 BEADMP CCc1ccc(C[NH2+]CC2([NH3+])CCC2)s1 ZINC000225366764 388678563 /nfs/dbraw/zinc/67/85/63/388678563.db2.gz JBCVLGCTTIDEFB-UHFFFAOYSA-N 2 1 224.373 2.282 20 0 BEADMP C[C@H](CCc1ccco1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178662 388622091 /nfs/dbraw/zinc/62/20/91/388622091.db2.gz PNNCRCNOMWMRSK-OCCSQVGLSA-N 2 1 248.370 2.475 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000530209322 388627637 /nfs/dbraw/zinc/62/76/37/388627637.db2.gz IWZWHMZYLBSAPM-LBPRGKRZSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000530213070 388628267 /nfs/dbraw/zinc/62/82/67/388628267.db2.gz TTYLTTHMKOAKFU-WCQYABFASA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000530213068 388628289 /nfs/dbraw/zinc/62/82/89/388628289.db2.gz TTYLTTHMKOAKFU-DGCLKSJQSA-N 2 1 224.392 2.482 20 0 BEADMP CC[C@H]1C[N@@H+](CC2CC(C)(C)C2)CC[C@H]1[NH3+] ZINC000530217919 388630282 /nfs/dbraw/zinc/63/02/82/388630282.db2.gz JCWDBKXJBDBPEG-QWHCGFSZSA-N 2 1 224.392 2.482 20 0 BEADMP CS[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000222355324 388632451 /nfs/dbraw/zinc/63/24/51/388632451.db2.gz CIFBWXJYROYSBR-IRCOFANPSA-N 2 1 230.421 2.056 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ncccc1F ZINC000530222129 388633026 /nfs/dbraw/zinc/63/30/26/388633026.db2.gz GSQQPVDQSXKNSJ-GARJFASQSA-N 2 1 237.322 2.141 20 0 BEADMP C[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C[C@H]1C[NH3+] ZINC000530222912 388634714 /nfs/dbraw/zinc/63/47/14/388634714.db2.gz IRNCGANPUMHQSV-DGCLKSJQSA-N 2 1 224.392 2.339 20 0 BEADMP CC1(C)[C@@H](c2ccc(F)cc2)CC[N@@H+]1CC[NH3+] ZINC000530233303 388636375 /nfs/dbraw/zinc/63/63/75/388636375.db2.gz WWFCJHBPOVEBCL-CYBMUJFWSA-N 2 1 236.334 2.352 20 0 BEADMP CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1CC[NH3+] ZINC000530233303 388636378 /nfs/dbraw/zinc/63/63/78/388636378.db2.gz WWFCJHBPOVEBCL-CYBMUJFWSA-N 2 1 236.334 2.352 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1nccs1 ZINC000223022976 388647654 /nfs/dbraw/zinc/64/76/54/388647654.db2.gz UOCGUTIMSZUAOM-IVZWLZJFSA-N 2 1 225.361 2.064 20 0 BEADMP C[C@H](CCC(F)(F)F)[NH2+]CCc1c[nH+]cn1C ZINC000530354917 388651729 /nfs/dbraw/zinc/65/17/29/388651729.db2.gz HCQRNCTWYICYEL-SECBINFHSA-N 2 1 249.280 2.283 20 0 BEADMP C[C@H](Cc1ccsc1)[NH2+]CCc1c[nH+]cn1C ZINC000530354956 388652204 /nfs/dbraw/zinc/65/22/04/388652204.db2.gz LTNRSOUCWUNJQJ-LLVKDONJSA-N 2 1 249.383 2.245 20 0 BEADMP CCOCCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000246871914 388653759 /nfs/dbraw/zinc/65/37/59/388653759.db2.gz DMWNNKBDYCGZJE-HZSPNIEDSA-N 2 1 242.407 2.121 20 0 BEADMP CCOCCCC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246899427 388654732 /nfs/dbraw/zinc/65/47/32/388654732.db2.gz FTTJJHLURWJWDW-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP CCOC[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227539998 388752022 /nfs/dbraw/zinc/75/20/22/388752022.db2.gz SEDYFUOBIWWWDQ-ZLKJLUDKSA-N 2 1 234.343 2.146 20 0 BEADMP C[N@@H+](CCC(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000226448853 388719531 /nfs/dbraw/zinc/71/95/31/388719531.db2.gz XTZBEMOJDLYEEF-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC=C(C)C)[C@@H](C)C1 ZINC000249692548 388731630 /nfs/dbraw/zinc/73/16/30/388731630.db2.gz XHCPIYDFYBWYDN-STQMWFEESA-N 2 1 210.365 2.273 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)s1 ZINC000228060908 388767753 /nfs/dbraw/zinc/76/77/53/388767753.db2.gz PQXMVIBZBVQHSA-MWLCHTKSSA-N 2 1 224.373 2.226 20 0 BEADMP CSCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703049 388771909 /nfs/dbraw/zinc/77/19/09/388771909.db2.gz BVZGTHZHIBGPLJ-STQMWFEESA-N 2 1 242.432 2.346 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000554721349 388828963 /nfs/dbraw/zinc/82/89/63/388828963.db2.gz LSQXOVJSRZWAEY-ZIAGYGMSSA-N 2 1 233.359 2.131 20 0 BEADMP CC(C)[C@H]([NH2+][C@H](C)C[NH3+])c1ccccc1 ZINC000232728698 388856645 /nfs/dbraw/zinc/85/66/45/388856645.db2.gz YYOUJZUUECYFDS-YPMHNXCESA-N 2 1 206.333 2.321 20 0 BEADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H](C)C[NH3+] ZINC000232749998 388858266 /nfs/dbraw/zinc/85/82/66/388858266.db2.gz WGPPWDMEYYUMDH-XQHKEYJVSA-N 2 1 212.381 2.384 20 0 BEADMP CC(C)COCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129838800 388872288 /nfs/dbraw/zinc/87/22/88/388872288.db2.gz ALMFLNALDHYSHP-KGLIPLIRSA-N 2 1 242.407 2.121 20 0 BEADMP C[NH2+]CCC[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000564989822 388906268 /nfs/dbraw/zinc/90/62/68/388906268.db2.gz IPAUNGXKZNNPLS-IHRRRGAJSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC23CC3)CC[N@H+]1C ZINC000565242200 388931022 /nfs/dbraw/zinc/93/10/22/388931022.db2.gz CMTPTHPKVIRNEC-UPJWGTAASA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC23CC3)CC[N@@H+]1C ZINC000565242200 388931019 /nfs/dbraw/zinc/93/10/19/388931019.db2.gz CMTPTHPKVIRNEC-UPJWGTAASA-N 2 1 222.376 2.391 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000565510478 388949905 /nfs/dbraw/zinc/94/99/05/388949905.db2.gz FJISVXVKFYOBQT-MJBXVCDLSA-N 2 1 242.407 2.121 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000565510478 388949909 /nfs/dbraw/zinc/94/99/09/388949909.db2.gz FJISVXVKFYOBQT-MJBXVCDLSA-N 2 1 242.407 2.121 20 0 BEADMP C[NH+](C)C1CC([NH2+]C/C=C\c2ccccc2)C1 ZINC000565550308 388954720 /nfs/dbraw/zinc/95/47/20/388954720.db2.gz WBNNVKSFRRTLGB-TWGQIWQCSA-N 2 1 230.355 2.382 20 0 BEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000566009782 388983243 /nfs/dbraw/zinc/98/32/43/388983243.db2.gz LPCWZMVINIWHGU-FQUUOJAGSA-N 3 1 241.423 2.013 20 0 BEADMP C[C@@H]([NH2+]CCc1cccs1)[C@@H]1CCC[NH2+]1 ZINC000400504514 533405488 /nfs/dbraw/zinc/40/54/88/533405488.db2.gz HNMWAYRHZFZOQD-PWSUYJOCSA-N 2 1 224.373 2.021 20 0 BEADMP Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc[nH+]1 ZINC000274918803 132204534 /nfs/dbraw/zinc/20/45/34/132204534.db2.gz OTPKBPGOFJQGFP-ZFWWWQNUSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cccc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)[nH+]1 ZINC000277112460 132207176 /nfs/dbraw/zinc/20/71/76/132207176.db2.gz YDBMYVLSRMLQSJ-UONOGXRCSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cccc(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)[nH+]1 ZINC000277112460 132207178 /nfs/dbraw/zinc/20/71/78/132207178.db2.gz YDBMYVLSRMLQSJ-UONOGXRCSA-N 2 1 245.370 2.311 20 0 BEADMP CC[N@H+]1C[C@@H](C)N(c2cc[nH+]c(C)c2)C[C@H]1C ZINC000357701758 132274885 /nfs/dbraw/zinc/27/48/85/132274885.db2.gz XNDFOTDPSARFNU-CHWSQXEVSA-N 2 1 233.359 2.309 20 0 BEADMP Cc1c[nH+]ccc1N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000358915265 132275766 /nfs/dbraw/zinc/27/57/66/132275766.db2.gz NKDMNEQYAZGXIU-AWEZNQCLSA-N 2 1 233.359 2.166 20 0 BEADMP Cc1cc(N2CCC[C@H]([NH2+]C(C)C)C2)nc(C)[nH+]1 ZINC000370760641 132318561 /nfs/dbraw/zinc/31/85/61/132318561.db2.gz SFNHXSMWJFVRNR-ZDUSSCGKSA-N 2 1 248.374 2.060 20 0 BEADMP [NH3+]C1(C[NH2+][C@@H]2CCc3ccc(F)cc32)CCC1 ZINC000335985687 134038784 /nfs/dbraw/zinc/03/87/84/134038784.db2.gz GFQNVUGAUIGCTQ-CYBMUJFWSA-N 2 1 234.318 2.284 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCCF)C1 ZINC000352031258 134045045 /nfs/dbraw/zinc/04/50/45/134045045.db2.gz ZHICPUFROUQVQA-ZDUSSCGKSA-N 2 1 230.371 2.400 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCCF)C1 ZINC000352031258 134045046 /nfs/dbraw/zinc/04/50/46/134045046.db2.gz ZHICPUFROUQVQA-ZDUSSCGKSA-N 2 1 230.371 2.400 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H]3CC=CCC3)C2)C1 ZINC000336114475 134087940 /nfs/dbraw/zinc/08/79/40/134087940.db2.gz CFVMCDKAAGDXDM-CABCVRRESA-N 2 1 234.387 2.370 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3CC=CCC3)C2)C1 ZINC000336114475 134087941 /nfs/dbraw/zinc/08/79/41/134087941.db2.gz CFVMCDKAAGDXDM-CABCVRRESA-N 2 1 234.387 2.370 20 0 BEADMP C[N@H+]1CC[C@]2(CC[NH+](CC3CCCC3)C2)C1 ZINC000336125087 134092469 /nfs/dbraw/zinc/09/24/69/134092469.db2.gz ZUDGLIKITDRSEW-AWEZNQCLSA-N 2 1 222.376 2.204 20 0 BEADMP C[C@H]1C[C@@H]([NH+](C)CC2CC(F)(F)C2)CC[N@@H+]1C ZINC000336185996 134121313 /nfs/dbraw/zinc/12/13/13/134121313.db2.gz JQXVIZQWZINGKG-JQWIXIFHSA-N 2 1 246.345 2.446 20 0 BEADMP C[C@H]1C[C@@H]([NH+](C)CC2CC(F)(F)C2)CC[N@H+]1C ZINC000336185996 134121314 /nfs/dbraw/zinc/12/13/14/134121314.db2.gz JQXVIZQWZINGKG-JQWIXIFHSA-N 2 1 246.345 2.446 20 0 BEADMP C[C@H]1C[C@@H]([N@H+](C)CC2CC(F)(F)C2)CC[NH+]1C ZINC000336185996 134121315 /nfs/dbraw/zinc/12/13/15/134121315.db2.gz JQXVIZQWZINGKG-JQWIXIFHSA-N 2 1 246.345 2.446 20 0 BEADMP C[C@H]1C[C@@H]([N@@H+](C)CC2CC(F)(F)C2)CC[NH+]1C ZINC000336185996 134121316 /nfs/dbraw/zinc/12/13/16/134121316.db2.gz JQXVIZQWZINGKG-JQWIXIFHSA-N 2 1 246.345 2.446 20 0 BEADMP CCc1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)cc[nH+]1 ZINC000336201593 134130981 /nfs/dbraw/zinc/13/09/81/134130981.db2.gz ZTLMDJDLBSEUCS-HNNXBMFYSA-N 2 1 245.370 2.176 20 0 BEADMP Cc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000168805473 134247143 /nfs/dbraw/zinc/24/71/43/134247143.db2.gz BMAPWJDSBYMSDL-CQSZACIVSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000168805473 134247144 /nfs/dbraw/zinc/24/71/44/134247144.db2.gz BMAPWJDSBYMSDL-CQSZACIVSA-N 2 1 218.344 2.227 20 0 BEADMP C[C@@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000217529610 134248488 /nfs/dbraw/zinc/24/84/88/134248488.db2.gz QIKLPOPRTBEGTO-KBPBESRZSA-N 2 1 232.371 2.461 20 0 BEADMP C[C@@H](CC[NH3+])[NH2+]Cc1cc(Cl)ccc1F ZINC000220529493 134309785 /nfs/dbraw/zinc/30/97/85/134309785.db2.gz OUYYRRXDIWGWDN-QMMMGPOBSA-N 2 1 230.714 2.306 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCCS2)CC[N@H+]1C ZINC000224566450 134348576 /nfs/dbraw/zinc/34/85/76/134348576.db2.gz SPGWQVHLELUAQB-FRRDWIJNSA-N 2 1 242.432 2.344 20 0 BEADMP Cc1c[nH+]ccc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC000248664176 135017991 /nfs/dbraw/zinc/01/79/91/135017991.db2.gz KQEJKFKPIIBOSG-ZDUSSCGKSA-N 2 1 231.343 2.065 20 0 BEADMP COCC[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000249837292 135046034 /nfs/dbraw/zinc/04/60/34/135046034.db2.gz XFELAOGTECLDIA-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP c1coc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000250090124 135049248 /nfs/dbraw/zinc/04/92/48/135049248.db2.gz OUOOAHJYDHTKBJ-OLZOCXBDSA-N 2 1 234.343 2.039 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](C)C2)C1 ZINC000250330343 135052745 /nfs/dbraw/zinc/05/27/45/135052745.db2.gz OKIIXYJIHKVQRS-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP CCC[C@@H](C)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000251347841 135068586 /nfs/dbraw/zinc/06/85/86/135068586.db2.gz PYEUMORPPLPSMQ-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCOC1 ZINC000251556846 135071685 /nfs/dbraw/zinc/07/16/85/135071685.db2.gz ADVDMASHOYPGNI-KBPBESRZSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1(C)CC1 ZINC000251699889 135074469 /nfs/dbraw/zinc/07/44/69/135074469.db2.gz XFXDIWCKFYAMSY-XQQFMLRXSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C[C@H]1C ZINC000251734829 135075741 /nfs/dbraw/zinc/07/57/41/135075741.db2.gz JBHJTWQDTNZBKZ-NDBYEHHHSA-N 2 1 210.365 2.153 20 0 BEADMP CC[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000251763025 135076857 /nfs/dbraw/zinc/07/68/57/135076857.db2.gz HTLOIIFJKSVNMK-QNWHQSFQSA-N 2 1 212.381 2.351 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000252171361 135086088 /nfs/dbraw/zinc/08/60/88/135086088.db2.gz OACOQGIYOAHRGI-ZOBORPQBSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000252171361 135086090 /nfs/dbraw/zinc/08/60/90/135086090.db2.gz OACOQGIYOAHRGI-ZOBORPQBSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000252205670 135086304 /nfs/dbraw/zinc/08/63/04/135086304.db2.gz VBELMGPTCORLOO-OLZOCXBDSA-N 2 1 210.365 2.108 20 0 BEADMP CCC[C@H](C)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086637537 135091562 /nfs/dbraw/zinc/09/15/62/135091562.db2.gz DZZPIIIZJXTYJB-NSHDSACASA-N 2 1 200.370 2.339 20 0 BEADMP Cc1ccsc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086884473 135099845 /nfs/dbraw/zinc/09/98/45/135099845.db2.gz SNXWKUQNDKWVLI-MNOVXSKESA-N 2 1 224.373 2.226 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCC(F)(F)F ZINC000252710539 135099862 /nfs/dbraw/zinc/09/98/62/135099862.db2.gz GYMNCFCUHOAHMO-VHSXEESVSA-N 2 1 238.297 2.259 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CS1 ZINC000086935160 135102376 /nfs/dbraw/zinc/10/23/76/135102376.db2.gz ZSTUVBBQMVLBRX-ZYHUDNBSSA-N 2 1 240.416 2.097 20 0 BEADMP CCC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000252731048 135103598 /nfs/dbraw/zinc/10/35/98/135103598.db2.gz OAQAORWHXKEUOQ-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000252731157 135103780 /nfs/dbraw/zinc/10/37/80/135103780.db2.gz ONGGRQRKKHLWRI-RNJOBUHISA-N 2 1 210.365 2.105 20 0 BEADMP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000252731157 135103782 /nfs/dbraw/zinc/10/37/82/135103782.db2.gz ONGGRQRKKHLWRI-RNJOBUHISA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CC=CCC1 ZINC000252729951 135104070 /nfs/dbraw/zinc/10/40/70/135104070.db2.gz JBPTWSKNXNWMFB-JHJVBQTASA-N 2 1 208.349 2.025 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CC=CCC1 ZINC000252729951 135104071 /nfs/dbraw/zinc/10/40/71/135104071.db2.gz JBPTWSKNXNWMFB-JHJVBQTASA-N 2 1 208.349 2.025 20 0 BEADMP COc1ccc(C)cc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252791000 135110572 /nfs/dbraw/zinc/11/05/72/135110572.db2.gz ZKKNUYLSCFVGML-STQMWFEESA-N 2 1 248.370 2.173 20 0 BEADMP CCSCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252806712 135111199 /nfs/dbraw/zinc/11/11/99/135111199.db2.gz CIMDOSMHFSGGJD-VXGBXAGGSA-N 2 1 230.421 2.059 20 0 BEADMP CCSCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252816519 135111879 /nfs/dbraw/zinc/11/18/79/135111879.db2.gz KMJVVIQMIYHQLA-STQMWFEESA-N 2 1 242.432 2.346 20 0 BEADMP CC(C)CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252861962 135114302 /nfs/dbraw/zinc/11/43/02/135114302.db2.gz NUCLYPABRYEUJQ-RWMBFGLXSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000252892585 135116369 /nfs/dbraw/zinc/11/63/69/135116369.db2.gz NYOWOXNMTHBALP-SMDDNHRTSA-N 2 1 236.334 2.256 20 0 BEADMP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000252890552 135116426 /nfs/dbraw/zinc/11/64/26/135116426.db2.gz HSGQEBFLXRMXIJ-UKRRQHHQSA-N 2 1 232.371 2.425 20 0 BEADMP C(C1CC[NH2+]CC1)[N@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000262304728 135117726 /nfs/dbraw/zinc/11/77/26/135117726.db2.gz XZGWGISIPAZPMI-PJPHBNEVSA-N 2 1 248.414 2.497 20 0 BEADMP C[C@@H]1CC[N@@H+](CCc2ccccc2)C[C@H]1C[NH3+] ZINC000253237441 135124945 /nfs/dbraw/zinc/12/49/45/135124945.db2.gz OYSUCDPVLWUZII-UKRRQHHQSA-N 2 1 232.371 2.146 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c(C)c1 ZINC000258769531 135133735 /nfs/dbraw/zinc/13/37/35/135133735.db2.gz AZWOYXUAUQZFNZ-KBPBESRZSA-N 2 1 218.344 2.273 20 0 BEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000259167335 135137803 /nfs/dbraw/zinc/13/78/03/135137803.db2.gz VSNKKMOBFSPMQY-STQMWFEESA-N 2 1 230.311 2.402 20 0 BEADMP C[C@@H](c1cccnc1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257663132 135138605 /nfs/dbraw/zinc/13/86/05/135138605.db2.gz CEHQDCDNAUAGAI-ZFWWWQNUSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@@H](c1cccnc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257663132 135138606 /nfs/dbraw/zinc/13/86/06/135138606.db2.gz CEHQDCDNAUAGAI-ZFWWWQNUSA-N 2 1 245.370 2.218 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1C ZINC000257684126 135139272 /nfs/dbraw/zinc/13/92/72/135139272.db2.gz LSTXSQCSZOEVFO-INIZCTEOSA-N 2 1 244.382 2.489 20 0 BEADMP C(C1CCCCC1)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000257690648 135139352 /nfs/dbraw/zinc/13/93/52/135139352.db2.gz NKRPDRPJGXNMJL-AWEZNQCLSA-N 2 1 222.376 2.395 20 0 BEADMP C(C1CCCC1)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000257686826 135139449 /nfs/dbraw/zinc/13/94/49/135139449.db2.gz MLALDHNTQRQGGS-CYBMUJFWSA-N 2 1 208.349 2.005 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000257737986 135140832 /nfs/dbraw/zinc/14/08/32/135140832.db2.gz YJESFOKPQNOMDY-MRXNPFEDSA-N 2 1 244.382 2.489 20 0 BEADMP Fc1ccc2c(cc[nH+]c2NC[C@H]2CC[NH2+]C2)c1 ZINC000259465517 135142693 /nfs/dbraw/zinc/14/26/93/135142693.db2.gz QZXWFQYXTCWGBC-JTQLQIEISA-N 2 1 245.301 2.395 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000261527264 135150937 /nfs/dbraw/zinc/15/09/37/135150937.db2.gz ILINFHFXQJYIOQ-RWMBFGLXSA-N 2 1 212.381 2.256 20 0 BEADMP C[C@H](C1CC1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261530767 135158359 /nfs/dbraw/zinc/15/83/59/135158359.db2.gz CZKPCMOMCASSEL-IJLUTSLNSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000261531336 135159898 /nfs/dbraw/zinc/15/98/98/135159898.db2.gz GDUQVBUYTYSRJG-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H](C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000261533333 135165256 /nfs/dbraw/zinc/16/52/56/135165256.db2.gz GPMHLKIBQHNTNL-MBNYWOFBSA-N 2 1 218.344 2.069 20 0 BEADMP CC[C@H](c1ccccc1)[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261534494 135166777 /nfs/dbraw/zinc/16/67/77/135166777.db2.gz RHULSGUGHGXAJQ-FPMFFAJLSA-N 2 1 218.344 2.417 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000261534733 135167724 /nfs/dbraw/zinc/16/77/24/135167724.db2.gz TYIMXBXKLXKSEE-CRWXNKLISA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000261534735 135168320 /nfs/dbraw/zinc/16/83/20/135168320.db2.gz TYIMXBXKLXKSEE-RQJABVFESA-N 2 1 224.392 2.352 20 0 BEADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1cccc(F)c1 ZINC000261536164 135171076 /nfs/dbraw/zinc/17/10/76/135171076.db2.gz QPFGKIXCYPFLIM-VIFPVBQESA-N 2 1 210.296 2.214 20 0 BEADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000261537021 135173053 /nfs/dbraw/zinc/17/30/53/135173053.db2.gz UPBDOCGOENLOID-UTLUCORTSA-N 2 1 210.296 2.212 20 0 BEADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261539800 135178625 /nfs/dbraw/zinc/17/86/25/135178625.db2.gz DEPZGYNZQVWNCI-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261543632 135184478 /nfs/dbraw/zinc/18/44/78/135184478.db2.gz DCEQMKUTDBWVDG-YUELXQCFSA-N 2 1 230.355 2.431 20 0 BEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261543631 135184640 /nfs/dbraw/zinc/18/46/40/135184640.db2.gz DCEQMKUTDBWVDG-VHDGCEQUSA-N 2 1 230.355 2.431 20 0 BEADMP C[C@H]([N@@H+](C)C[C@@]1(C)CC[NH2+]C1)C1(C)CC1 ZINC000261543742 135185018 /nfs/dbraw/zinc/18/50/18/135185018.db2.gz ICLORWCZVGKEHU-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP C(C1CCCCCC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261553547 135193025 /nfs/dbraw/zinc/19/30/25/135193025.db2.gz NZMDATUUTGIFAF-CABCVRRESA-N 2 1 236.403 2.498 20 0 BEADMP COc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])cc1F ZINC000261556834 135196930 /nfs/dbraw/zinc/19/69/30/135196930.db2.gz REEPOJVVEKZDNJ-VIFPVBQESA-N 2 1 240.322 2.222 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261557177 135197963 /nfs/dbraw/zinc/19/79/63/135197963.db2.gz RLZVQNJHRDCDOK-LSDHHAIUSA-N 2 1 230.355 2.179 20 0 BEADMP C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000261560150 135201434 /nfs/dbraw/zinc/20/14/34/135201434.db2.gz UFZXTCGQTKOVBL-KFWWJZLASA-N 2 1 236.403 2.498 20 0 BEADMP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCCC1 ZINC000261560692 135202075 /nfs/dbraw/zinc/20/20/75/135202075.db2.gz AEJADTCRJHQOOG-KBPBESRZSA-N 2 1 222.376 2.108 20 0 BEADMP Cc1ccccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261561710 135202734 /nfs/dbraw/zinc/20/27/34/135202734.db2.gz VRTWUIFDHCVLAI-ZFWWWQNUSA-N 2 1 230.355 2.036 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261561383 135202921 /nfs/dbraw/zinc/20/29/21/135202921.db2.gz VHFYVHGZICLGLM-GJZGRUSLSA-N 2 1 230.355 2.036 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261562010 135203522 /nfs/dbraw/zinc/20/35/22/135203522.db2.gz VXJZSGZBIAIVKM-HUUCEWRRSA-N 2 1 230.355 2.036 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000261562347 135203556 /nfs/dbraw/zinc/20/35/56/135203556.db2.gz BFRHYRMGELWQRP-YPMHNXCESA-N 2 1 236.384 2.240 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000261562347 135203557 /nfs/dbraw/zinc/20/35/57/135203557.db2.gz BFRHYRMGELWQRP-YPMHNXCESA-N 2 1 236.384 2.240 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261562008 135203790 /nfs/dbraw/zinc/20/37/90/135203790.db2.gz VXJZSGZBIAIVKM-CABCVRRESA-N 2 1 230.355 2.036 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)s1 ZINC000261562344 135203834 /nfs/dbraw/zinc/20/38/34/135203834.db2.gz BFRHYRMGELWQRP-WCQYABFASA-N 2 1 236.384 2.240 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)s1 ZINC000261562344 135203835 /nfs/dbraw/zinc/20/38/35/135203835.db2.gz BFRHYRMGELWQRP-WCQYABFASA-N 2 1 236.384 2.240 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(C)c1 ZINC000261562768 135204309 /nfs/dbraw/zinc/20/43/09/135204309.db2.gz GQAOJNDEPBCGAN-CVEARBPZSA-N 2 1 244.382 2.487 20 0 BEADMP CCOc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000261563263 135205106 /nfs/dbraw/zinc/20/51/06/135205106.db2.gz WWNIUKMBJZUMLE-NSHDSACASA-N 2 1 236.359 2.473 20 0 BEADMP C[C@]1(C[NH3+])CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000261563751 135205195 /nfs/dbraw/zinc/20/51/95/135205195.db2.gz XITDHPRILIATHH-SBJJXXPASA-N 2 1 230.355 2.371 20 0 BEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCCC1 ZINC000163886463 135209878 /nfs/dbraw/zinc/20/98/78/135209878.db2.gz VRWGALLVCHJGQC-NSHDSACASA-N 2 1 221.348 2.360 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1C ZINC000261569481 135210911 /nfs/dbraw/zinc/21/09/11/135210911.db2.gz JWNAPEQBXWNWAX-ZBFHGGJFSA-N 2 1 244.382 2.345 20 0 BEADMP CCSCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000164021886 135213296 /nfs/dbraw/zinc/21/32/96/135213296.db2.gz CIMDOSMHFSGGJD-NWDGAFQWSA-N 2 1 230.421 2.059 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1C ZINC000261572172 135214148 /nfs/dbraw/zinc/21/41/48/135214148.db2.gz LMSLJIOOTXITCN-JKSUJKDBSA-N 2 1 244.382 2.487 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261574270 135215775 /nfs/dbraw/zinc/21/57/75/135215775.db2.gz MQROYXJMEJMJKV-GDBMZVCRSA-N 2 1 244.382 2.487 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261576446 135217370 /nfs/dbraw/zinc/21/73/70/135217370.db2.gz NQMWSZNUDYXOOT-HOTGVXAUSA-N 2 1 244.382 2.433 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261578012 135218845 /nfs/dbraw/zinc/21/88/45/135218845.db2.gz ORUGOYHYMZZVAS-CWRNSKLLSA-N 2 1 244.382 2.473 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000261578957 135219543 /nfs/dbraw/zinc/21/95/43/135219543.db2.gz PFJODEJQBYDGGN-MRXNPFEDSA-N 2 1 244.382 2.489 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c(C)c1 ZINC000261579235 135220143 /nfs/dbraw/zinc/22/01/43/135220143.db2.gz MGCLVKJCRNLOPU-JSGCOSHPSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c(C)c1 ZINC000261579235 135220144 /nfs/dbraw/zinc/22/01/44/135220144.db2.gz MGCLVKJCRNLOPU-JSGCOSHPSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261579963 135220439 /nfs/dbraw/zinc/22/04/39/135220439.db2.gz PTNREIRGPOHRAD-UKRRQHHQSA-N 2 1 248.345 2.318 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261579963 135220440 /nfs/dbraw/zinc/22/04/40/135220440.db2.gz PTNREIRGPOHRAD-UKRRQHHQSA-N 2 1 248.345 2.318 20 0 BEADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261579964 135220607 /nfs/dbraw/zinc/22/06/07/135220607.db2.gz PTNREIRGPOHRAD-ZFWWWQNUSA-N 2 1 248.345 2.318 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261579964 135220609 /nfs/dbraw/zinc/22/06/09/135220609.db2.gz PTNREIRGPOHRAD-ZFWWWQNUSA-N 2 1 248.345 2.318 20 0 BEADMP CC1(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCC1 ZINC000261580793 135221366 /nfs/dbraw/zinc/22/13/66/135221366.db2.gz NDJFEOZGWJGZGI-XQQFMLRXSA-N 2 1 222.376 2.236 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261583186 135224118 /nfs/dbraw/zinc/22/41/18/135224118.db2.gz RQZSOLQXXCRMCT-JYJNAYRXSA-N 2 1 244.382 2.473 20 0 BEADMP C(C1CCCCC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261584822 135226263 /nfs/dbraw/zinc/22/62/63/135226263.db2.gz QBAJWFPYERFNAI-KBPBESRZSA-N 2 1 222.376 2.108 20 0 BEADMP COCc1cccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000261584606 135226334 /nfs/dbraw/zinc/22/63/34/135226334.db2.gz SKNXHTFUFDLAPF-HNNXBMFYSA-N 2 1 248.370 2.004 20 0 BEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCC3CCCC3)C[C@@H]12 ZINC000261589703 135229987 /nfs/dbraw/zinc/22/99/87/135229987.db2.gz UCSIQIRFKKDSBG-MGPQQGTHSA-N 2 1 222.376 2.236 20 0 BEADMP Cc1ccc(F)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261591020 135231853 /nfs/dbraw/zinc/23/18/53/135231853.db2.gz XJACCEMKZAKCRO-WHOFXGATSA-N 2 1 248.345 2.303 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261546220 135238271 /nfs/dbraw/zinc/23/82/71/135238271.db2.gz GRGCUMVSEXEEKM-RRFJBIMHSA-N 2 1 230.355 2.164 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccccc1F ZINC000261547502 135240020 /nfs/dbraw/zinc/24/00/20/135240020.db2.gz IFVIVCOJUZZXFV-MJVIPROJSA-N 2 1 236.334 2.474 20 0 BEADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000261547390 135240271 /nfs/dbraw/zinc/24/02/71/135240271.db2.gz MHSPCQAWSLPLQQ-MCIONIFRSA-N 2 1 222.376 2.108 20 0 BEADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(N)c2)CC[N@@H+]1C ZINC000261613988 135244075 /nfs/dbraw/zinc/24/40/75/135244075.db2.gz APCUMVYQUZTZOP-DOMZBBRYSA-N 2 1 247.386 2.183 20 0 BEADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(N)c2)CC[N@H+]1C ZINC000261613988 135244078 /nfs/dbraw/zinc/24/40/78/135244078.db2.gz APCUMVYQUZTZOP-DOMZBBRYSA-N 2 1 247.386 2.183 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(N)c2)CC[NH+]1C ZINC000261613988 135244081 /nfs/dbraw/zinc/24/40/81/135244081.db2.gz APCUMVYQUZTZOP-DOMZBBRYSA-N 2 1 247.386 2.183 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(N)c2)CC[NH+]1C ZINC000261613988 135244083 /nfs/dbraw/zinc/24/40/83/135244083.db2.gz APCUMVYQUZTZOP-DOMZBBRYSA-N 2 1 247.386 2.183 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261682785 135245892 /nfs/dbraw/zinc/24/58/92/135245892.db2.gz HBZMKQIFUMZRRY-RDBSUJKOSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@H]1CC2(CCC2)C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261749102 135249992 /nfs/dbraw/zinc/24/99/92/135249992.db2.gz LRJOZIXNYFPQDR-STQMWFEESA-N 2 1 222.376 2.251 20 0 BEADMP CS[C@H]1CCCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261759670 135250941 /nfs/dbraw/zinc/25/09/41/135250941.db2.gz LDLMSKSTNMGGJA-STQMWFEESA-N 2 1 242.432 2.204 20 0 BEADMP CC(C)([NH3+])C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000261770402 135251806 /nfs/dbraw/zinc/25/18/06/135251806.db2.gz DRFKGVJHYZFUJN-UHFFFAOYSA-N 2 1 247.386 2.073 20 0 BEADMP C(C1CC1)[N@@H+](CC1CCC1)C[C@@H]1CCC[NH2+]C1 ZINC000261783768 135252924 /nfs/dbraw/zinc/25/29/24/135252924.db2.gz OALNXKYHHSTHOE-OAHLLOKOSA-N 2 1 236.403 2.498 20 0 BEADMP C[C@H](C[N@@H+]1CCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000261790090 135253354 /nfs/dbraw/zinc/25/33/54/135253354.db2.gz GCBBSZBMKDIWNN-BXUZGUMPSA-N 2 1 236.334 2.352 20 0 BEADMP C[C@H](C[N@H+]1CCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000261790090 135253355 /nfs/dbraw/zinc/25/33/55/135253355.db2.gz GCBBSZBMKDIWNN-BXUZGUMPSA-N 2 1 236.334 2.352 20 0 BEADMP C[C@@]1(C[NH3+])CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000261815866 135255440 /nfs/dbraw/zinc/25/54/40/135255440.db2.gz PCMFQBMUHYHXNT-GJZGRUSLSA-N 2 1 248.345 2.484 20 0 BEADMP Cn1cccc1[C@@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261867951 135258370 /nfs/dbraw/zinc/25/83/70/135258370.db2.gz OGEBFWIOUGWAFJ-GJZGRUSLSA-N 2 1 247.386 2.162 20 0 BEADMP C(C1CC1)[N@@H+](CC1CCC1)CC1CC[NH2+]CC1 ZINC000261905250 135262048 /nfs/dbraw/zinc/26/20/48/135262048.db2.gz YYZJHDUTCGIJFH-UHFFFAOYSA-N 2 1 236.403 2.498 20 0 BEADMP CC[C@]1(C)CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261918608 135262729 /nfs/dbraw/zinc/26/27/29/135262729.db2.gz ZZFDMFIRTSZNFN-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP CC(C)[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261982467 135269806 /nfs/dbraw/zinc/26/98/06/135269806.db2.gz RNYHWSMDDPKJTN-UONOGXRCSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@H]1C[C@@H]1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262017361 135272920 /nfs/dbraw/zinc/27/29/20/135272920.db2.gz VUNZJOKHBPPRGI-XZDPQHSOSA-N 2 1 244.382 2.317 20 0 BEADMP C[C@H]1C[C@@H]1C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000262033412 135275074 /nfs/dbraw/zinc/27/50/74/135275074.db2.gz XKPOAMOZFVKAQV-PMOUVXMZSA-N 2 1 230.355 2.069 20 0 BEADMP C[C@H]1C[C@@H]1C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000262033412 135275075 /nfs/dbraw/zinc/27/50/75/135275075.db2.gz XKPOAMOZFVKAQV-PMOUVXMZSA-N 2 1 230.355 2.069 20 0 BEADMP CC(C)[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000262054189 135276665 /nfs/dbraw/zinc/27/66/65/135276665.db2.gz ZZTZVFLLTCVKON-CQSZACIVSA-N 2 1 224.392 2.354 20 0 BEADMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCC(C)(C)C1 ZINC000262075163 135277374 /nfs/dbraw/zinc/27/73/74/135277374.db2.gz SKYXHOWRNMGDKB-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP c1ccc2c(c1)CCC[C@H]2C[NH2+][C@H]1CC[NH2+]C1 ZINC000262115420 135279244 /nfs/dbraw/zinc/27/92/44/135279244.db2.gz MYNXBCWJKNZZFE-KBPBESRZSA-N 2 1 230.355 2.058 20 0 BEADMP C[C@H]1Cc2ccccc2C[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262118909 135279484 /nfs/dbraw/zinc/27/94/84/135279484.db2.gz XDZSNOYQAKZAKZ-BBRMVZONSA-N 2 1 244.382 2.433 20 0 BEADMP C[C@@]1(C[N@@H+]2CCc3ccsc3C2)CC[NH2+]C1 ZINC000262123880 135280298 /nfs/dbraw/zinc/28/02/98/135280298.db2.gz XOKFTMOVISQCHU-CYBMUJFWSA-N 2 1 236.384 2.106 20 0 BEADMP C[C@@]1(C[N@H+]2CCc3ccsc3C2)CC[NH2+]C1 ZINC000262123880 135280300 /nfs/dbraw/zinc/28/03/00/135280300.db2.gz XOKFTMOVISQCHU-CYBMUJFWSA-N 2 1 236.384 2.106 20 0 BEADMP [NH3+]CC[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000263069959 135330600 /nfs/dbraw/zinc/33/06/00/135330600.db2.gz WIWQEPCYAPYIBN-ZDUSSCGKSA-N 2 1 222.307 2.215 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000334356231 135369668 /nfs/dbraw/zinc/36/96/68/135369668.db2.gz MTUINFFTJLUFAL-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CC[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000334356231 135369669 /nfs/dbraw/zinc/36/96/69/135369669.db2.gz MTUINFFTJLUFAL-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CC[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000334356231 135369670 /nfs/dbraw/zinc/36/96/70/135369670.db2.gz MTUINFFTJLUFAL-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)(C)CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334357193 135372647 /nfs/dbraw/zinc/37/26/47/135372647.db2.gz PKVGWNDIYMADCN-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP CCC[C@H](C)C[N@@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000299894573 135381074 /nfs/dbraw/zinc/38/10/74/135381074.db2.gz XXZBUSFFINEQTL-AVGNSLFASA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1nccs1 ZINC000334404853 135392994 /nfs/dbraw/zinc/39/29/94/135392994.db2.gz HBJLATHWPZMGEK-IUCAKERBSA-N 2 1 248.355 2.074 20 0 BEADMP [NH3+]C1(C[NH2+][C@H]2CCCc3c(O)cccc32)CCC1 ZINC000335022391 135879524 /nfs/dbraw/zinc/87/95/24/135879524.db2.gz GIYAPELNFHYGCJ-ZDUSSCGKSA-N 2 1 246.354 2.241 20 0 BEADMP C[C@@H](c1ccco1)[N@H+](C)CCc1c[nH+]cn1C ZINC000347729112 136004055 /nfs/dbraw/zinc/00/40/55/136004055.db2.gz FNNXOBBHWDFVPZ-NSHDSACASA-N 2 1 233.315 2.249 20 0 BEADMP C[C@@H](c1ccco1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000347729112 136004056 /nfs/dbraw/zinc/00/40/56/136004056.db2.gz FNNXOBBHWDFVPZ-NSHDSACASA-N 2 1 233.315 2.249 20 0 BEADMP CC(C)C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000335312707 136030577 /nfs/dbraw/zinc/03/05/77/136030577.db2.gz FGCAWORTECJLEN-CHWSQXEVSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000335312707 136030578 /nfs/dbraw/zinc/03/05/78/136030578.db2.gz FGCAWORTECJLEN-CHWSQXEVSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000335312707 136030579 /nfs/dbraw/zinc/03/05/79/136030579.db2.gz FGCAWORTECJLEN-CHWSQXEVSA-N 2 1 210.365 2.059 20 0 BEADMP Cc1cc(N)cc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000335356512 136062016 /nfs/dbraw/zinc/06/20/16/136062016.db2.gz DKUGESOVWICPHD-DOMZBBRYSA-N 2 1 247.386 2.007 20 0 BEADMP F[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000335399954 136093964 /nfs/dbraw/zinc/09/39/64/136093964.db2.gz QGRJJPXHMASNQO-AAEUAGOBSA-N 2 1 240.366 2.484 20 0 BEADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC[NH3+] ZINC000335564033 136107130 /nfs/dbraw/zinc/10/71/30/136107130.db2.gz JSHBJOZTBRXTJT-ZYHUDNBSSA-N 2 1 204.317 2.092 20 0 BEADMP COc1ccsc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647531278 397779506 /nfs/dbraw/zinc/77/95/06/397779506.db2.gz LMCQQJJENLYPEL-UHFFFAOYSA-N 2 1 240.372 2.070 20 0 BEADMP Cc1ccccc1C[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414817070 398044242 /nfs/dbraw/zinc/04/42/42/398044242.db2.gz ZAQGXJZABVVAMW-SWLSCSKDSA-N 2 1 232.371 2.253 20 0 BEADMP [NH3+][C@@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414659164 398007627 /nfs/dbraw/zinc/00/76/27/398007627.db2.gz SFXAMAQQTSORPN-ZNMIVQPWSA-N 2 1 230.355 2.213 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414659164 398007634 /nfs/dbraw/zinc/00/76/34/398007634.db2.gz SFXAMAQQTSORPN-ZNMIVQPWSA-N 2 1 230.355 2.213 20 0 BEADMP C[NH2+]CC[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000414823311 398047216 /nfs/dbraw/zinc/04/72/16/398047216.db2.gz IFUWVURTGJYDRN-CQSZACIVSA-N 2 1 220.360 2.235 20 0 BEADMP CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C[NH3+])C2CC2)C1 ZINC000414792245 398039011 /nfs/dbraw/zinc/03/90/11/398039011.db2.gz BYVJQOWQSFHGHI-RTXFEEFZSA-N 2 1 210.365 2.282 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+]1CCCc1ccccc1 ZINC000019843310 397983866 /nfs/dbraw/zinc/98/38/66/397983866.db2.gz LTQMRPNCLOKBQW-CQSZACIVSA-N 2 1 218.344 2.042 20 0 BEADMP [NH3+]C[C@H]1CCC[N@H+]1CCCc1ccccc1 ZINC000019843310 397983869 /nfs/dbraw/zinc/98/38/69/397983869.db2.gz LTQMRPNCLOKBQW-CQSZACIVSA-N 2 1 218.344 2.042 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@@H+]1CCCc1ccccc1 ZINC000019843309 397983901 /nfs/dbraw/zinc/98/39/01/397983901.db2.gz LTQMRPNCLOKBQW-AWEZNQCLSA-N 2 1 218.344 2.042 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@H+]1CCCc1ccccc1 ZINC000019843309 397983903 /nfs/dbraw/zinc/98/39/03/397983903.db2.gz LTQMRPNCLOKBQW-AWEZNQCLSA-N 2 1 218.344 2.042 20 0 BEADMP CC(C)C[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000052381135 167005901 /nfs/dbraw/zinc/00/59/01/167005901.db2.gz JRFUGOVQXMBRCH-OLZOCXBDSA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)C[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000052381135 167005905 /nfs/dbraw/zinc/00/59/05/167005905.db2.gz JRFUGOVQXMBRCH-OLZOCXBDSA-N 2 1 212.381 2.352 20 0 BEADMP COc1ccc(C)cc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000259076312 322881926 /nfs/dbraw/zinc/88/19/26/322881926.db2.gz SIFDCAJTFUYZII-CQSZACIVSA-N 2 1 248.370 2.235 20 0 BEADMP Fc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1F ZINC000259149871 322882248 /nfs/dbraw/zinc/88/22/48/322882248.db2.gz XPQKVLKDVPWBDQ-LLVKDONJSA-N 2 1 240.297 2.197 20 0 BEADMP CC(C)(C[NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043327327 487563874 /nfs/dbraw/zinc/56/38/74/487563874.db2.gz PCJVXFIIGRLTGV-CQSZACIVSA-N 2 1 232.371 2.306 20 0 BEADMP CC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)CC1 ZINC001651698335 1172976200 /nfs/dbraw/zinc/97/62/00/1172976200.db2.gz VIELEPHZLKWKGJ-VIGLNQMMSA-N 2 1 236.403 2.495 20 0 BEADMP CC(C)(C[NH2+]C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000232522979 487601981 /nfs/dbraw/zinc/60/19/81/487601981.db2.gz ANGYXPNVAQRYFB-AWEZNQCLSA-N 2 1 232.371 2.306 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000662267746 409568479 /nfs/dbraw/zinc/56/84/79/409568479.db2.gz YIDDHVDQEMDAMA-GMTAPVOTSA-N 2 1 234.334 2.337 20 0 BEADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+])C1CCC1 ZINC000662236389 409524193 /nfs/dbraw/zinc/52/41/93/409524193.db2.gz XCHSBDKAPOXROO-MRVWCRGKSA-N 2 1 240.391 2.003 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000662244508 409533442 /nfs/dbraw/zinc/53/34/42/409533442.db2.gz HUDMYJSGVJZGNW-WCQYABFASA-N 2 1 208.349 2.012 20 0 BEADMP CO[C@@H](CN1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000662243266 409534770 /nfs/dbraw/zinc/53/47/70/409534770.db2.gz AILBNKWHNYZGHA-KGLIPLIRSA-N 2 1 240.391 2.005 20 0 BEADMP CO[C@@H](C[N@@H+]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000662243266 409534777 /nfs/dbraw/zinc/53/47/77/409534777.db2.gz AILBNKWHNYZGHA-KGLIPLIRSA-N 2 1 240.391 2.005 20 0 BEADMP CO[C@@H](C[N@H+]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000662243266 409534785 /nfs/dbraw/zinc/53/47/85/409534785.db2.gz AILBNKWHNYZGHA-KGLIPLIRSA-N 2 1 240.391 2.005 20 0 BEADMP CCC[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C1CC[NH2+]CC1 ZINC000662261729 409554589 /nfs/dbraw/zinc/55/45/89/409554589.db2.gz AJVSXYPNIYMPPE-BTTYYORXSA-N 2 1 236.403 2.497 20 0 BEADMP FCC[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000662310191 409633058 /nfs/dbraw/zinc/63/30/58/409633058.db2.gz HNWZVAKUMNKLJA-STQMWFEESA-N 2 1 228.355 2.058 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000662272875 409578517 /nfs/dbraw/zinc/57/85/17/409578517.db2.gz JNKHIPRRSUWAOL-PWSUYJOCSA-N 2 1 234.334 2.339 20 0 BEADMP CO[C@H](C[N@H+]1CC[C@H]([NH3+])C[C@H]1C)C1CCCC1 ZINC000662284277 409615437 /nfs/dbraw/zinc/61/54/37/409615437.db2.gz MJIRHMJSRGEEBY-KWCYVHTRSA-N 2 1 240.391 2.003 20 0 BEADMP CC(C)SCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000308837581 167332134 /nfs/dbraw/zinc/33/21/34/167332134.db2.gz XDZATKQUDSQGQH-NWDGAFQWSA-N 2 1 230.421 2.058 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000308778197 409905917 /nfs/dbraw/zinc/90/59/17/409905917.db2.gz BITYDJCGAZNBRK-WOPDTQHZSA-N 2 1 212.381 2.338 20 0 BEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc2c1CCC2 ZINC000650703184 410336494 /nfs/dbraw/zinc/33/64/94/410336494.db2.gz ORTMJTLUAYOFAR-CHWSQXEVSA-N 2 1 244.382 2.344 20 0 BEADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CCC2CCCCC2)CCO1 ZINC000123799538 410301668 /nfs/dbraw/zinc/30/16/68/410301668.db2.gz UPFVUDPQJKPSAJ-TZMCWYRMSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCC2CCCCC2)CCO1 ZINC000123799538 410301675 /nfs/dbraw/zinc/30/16/75/410301675.db2.gz UPFVUDPQJKPSAJ-TZMCWYRMSA-N 2 1 240.391 2.005 20 0 BEADMP CO[C@@H](C[N@H+]1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000393283941 410674424 /nfs/dbraw/zinc/67/44/24/410674424.db2.gz BRSKJNDFRBRNLL-LSDHHAIUSA-N 2 1 248.370 2.045 20 0 BEADMP C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1c[nH+]ccc1N ZINC000665266550 410739660 /nfs/dbraw/zinc/73/96/60/410739660.db2.gz DZTLERHHLGCTKK-LDYMZIIASA-N 2 1 241.285 2.190 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1N(C)C ZINC000653299264 410817254 /nfs/dbraw/zinc/81/72/54/410817254.db2.gz MGUCJXNWAHDZBN-OCCSQVGLSA-N 2 1 247.386 2.064 20 0 BEADMP CC(C)[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000108370483 167094355 /nfs/dbraw/zinc/09/43/55/167094355.db2.gz AJRCQNBAPQLTCB-UHFFFAOYSA-N 2 1 247.386 2.087 20 0 BEADMP CC(C)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000125208574 167110729 /nfs/dbraw/zinc/11/07/29/167110729.db2.gz KFCFKSDHARFPLN-ZDUSSCGKSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040668395 167114119 /nfs/dbraw/zinc/11/41/19/167114119.db2.gz SDCFIEBGHKXLIW-CHWSQXEVSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)OCC[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352519930 167228193 /nfs/dbraw/zinc/22/81/93/167228193.db2.gz SWIZCSUHMFOCGB-UHFFFAOYSA-N 2 1 242.407 2.252 20 0 BEADMP CC(C)OCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000336716959 167228209 /nfs/dbraw/zinc/22/82/09/167228209.db2.gz XAXBCZNRMCLKKV-UHFFFAOYSA-N 2 1 242.407 2.216 20 0 BEADMP CC(C)OCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000160037747 167244512 /nfs/dbraw/zinc/24/45/12/167244512.db2.gz SVGFDUBGYMKNFK-UONOGXRCSA-N 2 1 234.343 2.146 20 0 BEADMP CC(C)OC[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000337342705 167255019 /nfs/dbraw/zinc/25/50/19/167255019.db2.gz RLTBHSAIBJARSH-GFCCVEGCSA-N 2 1 240.391 2.016 20 0 BEADMP CC(C)OC[C@@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000374325891 167259708 /nfs/dbraw/zinc/25/97/08/167259708.db2.gz CYTZAOKQVUYKID-RDBSUJKOSA-N 2 1 240.391 2.016 20 0 BEADMP CC(C)SCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000309408776 167332904 /nfs/dbraw/zinc/33/29/04/167332904.db2.gz VGUWPJDESYXNGT-YNEHKIRRSA-N 2 1 244.448 2.446 20 0 BEADMP CC(C)[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000308700146 167383620 /nfs/dbraw/zinc/38/36/20/167383620.db2.gz URXCLIJHYGLYOJ-NWDGAFQWSA-N 2 1 200.370 2.349 20 0 BEADMP CC(C)[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000308700146 167383623 /nfs/dbraw/zinc/38/36/23/167383623.db2.gz URXCLIJHYGLYOJ-NWDGAFQWSA-N 2 1 200.370 2.349 20 0 BEADMP CCC1CC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000310013061 410996459 /nfs/dbraw/zinc/99/64/59/410996459.db2.gz JMTKCPPXYJJJGY-YIOUJQMASA-N 2 1 222.376 2.391 20 0 BEADMP CC(C)CCC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000309477746 410947873 /nfs/dbraw/zinc/94/78/73/410947873.db2.gz CKCRJCGGIRGTCG-STQMWFEESA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000309477746 410947877 /nfs/dbraw/zinc/94/78/77/410947877.db2.gz CKCRJCGGIRGTCG-STQMWFEESA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H](C)C[NH2+]C[C@H](CC)[NH+]1CCCC1 ZINC000093056126 411136907 /nfs/dbraw/zinc/13/69/07/411136907.db2.gz CZRZOJNNKSOWPF-OLZOCXBDSA-N 2 1 212.381 2.497 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@@H]1C[C@H]1C ZINC000651865869 411147604 /nfs/dbraw/zinc/14/76/04/411147604.db2.gz KQLCMTSALPHJOK-OLZOCXBDSA-N 2 1 212.381 2.210 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCSC1 ZINC000651865689 411147959 /nfs/dbraw/zinc/14/79/59/411147959.db2.gz DNCWUENLYACNDP-GFCCVEGCSA-N 2 1 230.421 2.059 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2CC(CF)(CF)C2)CC[N@@H+]1C ZINC000657888756 411154435 /nfs/dbraw/zinc/15/44/35/411154435.db2.gz KFGZYORMLUGTPW-MNOVXSKESA-N 2 1 246.345 2.147 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2CC(CF)(CF)C2)CC[N@H+]1C ZINC000657888756 411154438 /nfs/dbraw/zinc/15/44/38/411154438.db2.gz KFGZYORMLUGTPW-MNOVXSKESA-N 2 1 246.345 2.147 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2CC(CF)(CF)C2)CC[N@@H+]1C ZINC000657888755 411154534 /nfs/dbraw/zinc/15/45/34/411154534.db2.gz KFGZYORMLUGTPW-GHMZBOCLSA-N 2 1 246.345 2.147 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2CC(CF)(CF)C2)CC[N@H+]1C ZINC000657888755 411154536 /nfs/dbraw/zinc/15/45/36/411154536.db2.gz KFGZYORMLUGTPW-GHMZBOCLSA-N 2 1 246.345 2.147 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C2CC(CF)(CF)C2)CC[N@@H+]1C ZINC000657888759 411154548 /nfs/dbraw/zinc/15/45/48/411154548.db2.gz KFGZYORMLUGTPW-WDEREUQCSA-N 2 1 246.345 2.147 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C2CC(CF)(CF)C2)CC[N@H+]1C ZINC000657888759 411154551 /nfs/dbraw/zinc/15/45/51/411154551.db2.gz KFGZYORMLUGTPW-WDEREUQCSA-N 2 1 246.345 2.147 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000123690569 411161352 /nfs/dbraw/zinc/16/13/52/411161352.db2.gz UQTGCGLPEDRPQH-JSGCOSHPSA-N 2 1 235.375 2.448 20 0 BEADMP c1csc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000043501215 411119670 /nfs/dbraw/zinc/11/96/70/411119670.db2.gz WFBKXIXZVJUQOU-UHFFFAOYSA-N 2 1 236.384 2.465 20 0 BEADMP c1csc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000043501215 411119671 /nfs/dbraw/zinc/11/96/71/411119671.db2.gz WFBKXIXZVJUQOU-UHFFFAOYSA-N 2 1 236.384 2.465 20 0 BEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)CC[C@@H]21 ZINC000660012303 411173884 /nfs/dbraw/zinc/17/38/84/411173884.db2.gz SQHRIZRNLLIPMM-LJIZCISZSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)CC[C@@H]21 ZINC000660012303 411173887 /nfs/dbraw/zinc/17/38/87/411173887.db2.gz SQHRIZRNLLIPMM-LJIZCISZSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)CC[C@@H]21 ZINC000660012303 411173893 /nfs/dbraw/zinc/17/38/93/411173893.db2.gz SQHRIZRNLLIPMM-LJIZCISZSA-N 2 1 248.414 2.449 20 0 BEADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1cn[nH]c1 ZINC000652222567 411175586 /nfs/dbraw/zinc/17/55/86/411175586.db2.gz RRNQMXWDNLUKOY-GFCCVEGCSA-N 2 1 238.379 2.038 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1cn[nH]c1 ZINC000652222567 411175589 /nfs/dbraw/zinc/17/55/89/411175589.db2.gz RRNQMXWDNLUKOY-GFCCVEGCSA-N 2 1 238.379 2.038 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCOC1(C)C ZINC000652222383 411175793 /nfs/dbraw/zinc/17/57/93/411175793.db2.gz MUUKBJVALXKKIB-CYBMUJFWSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000652221937 411175901 /nfs/dbraw/zinc/17/59/01/411175901.db2.gz AIQRZAKXYBCGJH-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP FC1(F)CCC([NH2+]CCC[NH+]2CCC2)CC1 ZINC000655753774 411184236 /nfs/dbraw/zinc/18/42/36/411184236.db2.gz DKITVIBCNFZIAG-UHFFFAOYSA-N 2 1 232.318 2.250 20 0 BEADMP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)[C@H]1CCCCO1 ZINC000656202096 411205872 /nfs/dbraw/zinc/20/58/72/411205872.db2.gz YHCRWVSVHSQVBU-XJFOESAGSA-N 2 1 240.391 2.064 20 0 BEADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)[C@H]1CCCCO1 ZINC000656202098 411206088 /nfs/dbraw/zinc/20/60/88/411206088.db2.gz YHCRWVSVHSQVBU-ZOBORPQBSA-N 2 1 240.391 2.064 20 0 BEADMP Cc1nccc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000656226189 411215185 /nfs/dbraw/zinc/21/51/85/411215185.db2.gz LLZXDBHCPNDIMN-CHWSQXEVSA-N 2 1 246.358 2.214 20 0 BEADMP CCCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652360346 411217567 /nfs/dbraw/zinc/21/75/67/411217567.db2.gz FXFKFCJNKNJLMK-BFHYXJOUSA-N 2 1 240.391 2.147 20 0 BEADMP C([C@@H]1CC[NH2+]C1)[N@@H+](C1CC1)C1CCCC1 ZINC000309720080 411218874 /nfs/dbraw/zinc/21/88/74/411218874.db2.gz VQJDEJDWVJZTCB-LLVKDONJSA-N 2 1 208.349 2.003 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H](C)SC2)CC1 ZINC000655683617 411225077 /nfs/dbraw/zinc/22/50/77/411225077.db2.gz SOHHAIROGUUEDK-AAEUAGOBSA-N 2 1 242.432 2.344 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccn1 ZINC000658064215 411229418 /nfs/dbraw/zinc/22/94/18/411229418.db2.gz MLMRGAKYBRSXMV-MGPQQGTHSA-N 2 1 247.386 2.257 20 0 BEADMP CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CC[NH3+] ZINC000423193551 411237594 /nfs/dbraw/zinc/23/75/94/411237594.db2.gz WXJYNSOKTURFCQ-OLZOCXBDSA-N 2 1 218.344 2.117 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](C)SC2)C1 ZINC000655693956 411239524 /nfs/dbraw/zinc/23/95/24/411239524.db2.gz BIQKVFOAOLXVQU-YNEHKIRRSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CCC2CCCCC2)CCO1 ZINC000123798933 411167179 /nfs/dbraw/zinc/16/71/79/411167179.db2.gz UPFVUDPQJKPSAJ-JSGCOSHPSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCC2CCCCC2)CCO1 ZINC000123798933 411167181 /nfs/dbraw/zinc/16/71/81/411167181.db2.gz UPFVUDPQJKPSAJ-JSGCOSHPSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000050952811 411269725 /nfs/dbraw/zinc/26/97/25/411269725.db2.gz AFNYKXLSHVEBQC-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP CC[C@H](C)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000050952587 411269801 /nfs/dbraw/zinc/26/98/01/411269801.db2.gz TWZVOOJWQPXRKS-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000309843142 411276540 /nfs/dbraw/zinc/27/65/40/411276540.db2.gz RAMQXRTWIOZHSD-OLZOCXBDSA-N 2 1 210.365 2.108 20 0 BEADMP CCC[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000309843144 411276639 /nfs/dbraw/zinc/27/66/39/411276639.db2.gz RAMQXRTWIOZHSD-QWHCGFSZSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@H]1c2ccsc2CC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000051889973 411285193 /nfs/dbraw/zinc/28/51/93/411285193.db2.gz UOQMBUSWTYWYBS-WDEREUQCSA-N 2 1 236.384 2.277 20 0 BEADMP C[C@H]1c2ccsc2CC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000051889973 411285197 /nfs/dbraw/zinc/28/51/97/411285197.db2.gz UOQMBUSWTYWYBS-WDEREUQCSA-N 2 1 236.384 2.277 20 0 BEADMP CCC(CC)C[N@@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC000051889640 411285767 /nfs/dbraw/zinc/28/57/67/411285767.db2.gz CSCAROODDCDRNL-CYBMUJFWSA-N 2 1 212.381 2.354 20 0 BEADMP CC[NH+]1CCC([NH2+][C@]2(C)CC2(C)C)CC1 ZINC000658305819 411328800 /nfs/dbraw/zinc/32/88/00/411328800.db2.gz BBOJBEZJAQBACC-CYBMUJFWSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)F)CC[N@H+]1C ZINC000658193776 411288366 /nfs/dbraw/zinc/28/83/66/411288366.db2.gz YONYOEUHWPJUGN-MNOVXSKESA-N 2 1 216.344 2.197 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)F)[C@H](C)C1 ZINC000658193403 411288468 /nfs/dbraw/zinc/28/84/68/411288468.db2.gz UNMRRPBMMIOHCU-NEPJUHHUSA-N 2 1 230.371 2.445 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccoc2)[C@@H](C)C1 ZINC000658202197 411291113 /nfs/dbraw/zinc/29/11/13/411291113.db2.gz VGODWZBLQMKEJB-JSGCOSHPSA-N 2 1 236.359 2.142 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)CC[N@H+]1C ZINC000658204772 411291920 /nfs/dbraw/zinc/29/19/20/411291920.db2.gz BIPUTNQOVLDKGD-GZBLMMOJSA-N 2 1 236.403 2.495 20 0 BEADMP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)[C@@H]2C1 ZINC000660226880 411300655 /nfs/dbraw/zinc/30/06/55/411300655.db2.gz ZNNDPRLLOODFBH-DGXTUMSLSA-N 2 1 248.414 2.449 20 0 BEADMP C[N@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)[C@@H]2C1 ZINC000660226880 411300657 /nfs/dbraw/zinc/30/06/57/411300657.db2.gz ZNNDPRLLOODFBH-DGXTUMSLSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2CC[N@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)[C@@H]2C1 ZINC000660226880 411300658 /nfs/dbraw/zinc/30/06/58/411300658.db2.gz ZNNDPRLLOODFBH-DGXTUMSLSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)[C@@H]2C1 ZINC000660226880 411300659 /nfs/dbraw/zinc/30/06/59/411300659.db2.gz ZNNDPRLLOODFBH-DGXTUMSLSA-N 2 1 248.414 2.449 20 0 BEADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC000658236330 411305873 /nfs/dbraw/zinc/30/58/73/411305873.db2.gz INWQLCYMKMXVCQ-OLZOCXBDSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C)C1 ZINC000401786325 411330959 /nfs/dbraw/zinc/33/09/59/411330959.db2.gz ZTSXBUSTUVDUNS-WUHRBBMRSA-N 2 1 210.365 2.153 20 0 BEADMP C[N@@H+](C/C=C\c1ccccc1)C1CC[NH2+]CC1 ZINC000082182939 411306684 /nfs/dbraw/zinc/30/66/84/411306684.db2.gz PFMPDTRROMGAJB-YVMONPNESA-N 2 1 230.355 2.384 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C(C)(C)C2(F)F)CC[N@H+]1C ZINC000658279764 411319429 /nfs/dbraw/zinc/31/94/29/411319429.db2.gz CPDBQPQESAMTIX-OUAUKWLOSA-N 2 1 246.345 2.350 20 0 BEADMP C[C@@H](c1ccncc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402907791 411321314 /nfs/dbraw/zinc/32/13/14/411321314.db2.gz XVRULQZTEPBFFP-QEJZJMRPSA-N 2 1 245.370 2.203 20 0 BEADMP c1ccc2c(c1)CCC[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000062944702 411324956 /nfs/dbraw/zinc/32/49/56/411324956.db2.gz HCOQZDXWFLRSFP-ZDUSSCGKSA-N 2 1 230.355 2.044 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)s1 ZINC000050248242 411256484 /nfs/dbraw/zinc/25/64/84/411256484.db2.gz IPRIUBLYWMWBCL-JTQLQIEISA-N 2 1 224.373 2.091 20 0 BEADMP C[N@H+](Cc1cccc2cccnc21)CC(C)(C)[NH3+] ZINC000656782993 411359473 /nfs/dbraw/zinc/35/94/73/411359473.db2.gz KXFYTWCUCJNHPI-UHFFFAOYSA-N 2 1 243.354 2.404 20 0 BEADMP C[N@@H+](Cc1cccc2cccnc21)CC(C)(C)[NH3+] ZINC000656782993 411359476 /nfs/dbraw/zinc/35/94/76/411359476.db2.gz KXFYTWCUCJNHPI-UHFFFAOYSA-N 2 1 243.354 2.404 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656789345 411368969 /nfs/dbraw/zinc/36/89/69/411368969.db2.gz WEHDNRVCCFLPKG-SLBVQIDZSA-N 2 1 244.382 2.378 20 0 BEADMP C[C@H]1C[C@H]1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656789342 411369596 /nfs/dbraw/zinc/36/95/96/411369596.db2.gz WEHDNRVCCFLPKG-ARLBYUKCSA-N 2 1 244.382 2.378 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661974249 411341185 /nfs/dbraw/zinc/34/11/85/411341185.db2.gz VSHQCSNYXYSZEP-KBPBESRZSA-N 2 1 233.359 2.314 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000661974249 411341190 /nfs/dbraw/zinc/34/11/90/411341190.db2.gz VSHQCSNYXYSZEP-KBPBESRZSA-N 2 1 233.359 2.314 20 0 BEADMP CC(C[NH+]1CC[C@@H]2C[C@@H]2C1)C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661974293 411341340 /nfs/dbraw/zinc/34/13/40/411341340.db2.gz VSSSVRQTAOLSOC-KLHDSHLOSA-N 2 1 248.414 2.306 20 0 BEADMP CSc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000659850182 411342414 /nfs/dbraw/zinc/34/24/14/411342414.db2.gz OBIXNUAUYYMLQE-CHWSQXEVSA-N 2 1 248.395 2.060 20 0 BEADMP CC1=CC[C@H]([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000308926342 168120535 /nfs/dbraw/zinc/12/05/35/168120535.db2.gz IISQCWGALXNFSM-LBPRGKRZSA-N 2 1 208.349 2.169 20 0 BEADMP CC1=C[C@H](C)C[C@H](C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000356392090 168131382 /nfs/dbraw/zinc/13/13/82/168131382.db2.gz JRXNXWFSZXHSLI-QCEMKRCNSA-N 2 1 248.414 2.472 20 0 BEADMP CC1=C[C@H](C)C[C@H](C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC000356392090 168131384 /nfs/dbraw/zinc/13/13/84/168131384.db2.gz JRXNXWFSZXHSLI-QCEMKRCNSA-N 2 1 248.414 2.472 20 0 BEADMP CC1=C[C@H](C)C[C@H](C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC000356392090 168131387 /nfs/dbraw/zinc/13/13/87/168131387.db2.gz JRXNXWFSZXHSLI-QCEMKRCNSA-N 2 1 248.414 2.472 20 0 BEADMP CC1CC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000309759813 168148038 /nfs/dbraw/zinc/14/80/38/168148038.db2.gz IKWIIXKQTMMFGP-YTPFDHIKSA-N 2 1 222.376 2.247 20 0 BEADMP CC1CC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000309759811 168148357 /nfs/dbraw/zinc/14/83/57/168148357.db2.gz IKWIIXKQTMMFGP-YAWVXEGQSA-N 2 1 222.376 2.247 20 0 BEADMP CC1CC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000309759807 168148520 /nfs/dbraw/zinc/14/85/20/168148520.db2.gz IKWIIXKQTMMFGP-LFGDDXOXSA-N 2 1 222.376 2.247 20 0 BEADMP CC1CCC([N@@H+](C)CC2CC[NH2+]CC2)CC1 ZINC000042488228 168157642 /nfs/dbraw/zinc/15/76/42/168157642.db2.gz KSAFXJWHFIIURS-UHFFFAOYSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CCC[N@@H+](Cc2ccccn2)[C@@H]1CC[NH3+] ZINC000404360305 411391422 /nfs/dbraw/zinc/39/14/22/411391422.db2.gz DWXVNHHJYKQGQV-TZMCWYRMSA-N 2 1 233.359 2.031 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC2CCC2)[C@H]1CC[NH3+] ZINC000404392557 411393174 /nfs/dbraw/zinc/39/31/74/411393174.db2.gz YWNJMKYYKWIFNA-YPMHNXCESA-N 2 1 210.365 2.236 20 0 BEADMP Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cn1 ZINC000404431449 411396203 /nfs/dbraw/zinc/39/62/03/411396203.db2.gz OTYRJTZEUWDYRR-WFASDCNBSA-N 2 1 247.386 2.339 20 0 BEADMP C[C@@H]1C[N@@H+](CC(C)(C)[NH3+])CCc2ccccc21 ZINC000404804930 411407884 /nfs/dbraw/zinc/40/78/84/411407884.db2.gz XKYVVFDFUNLWMN-GFCCVEGCSA-N 2 1 232.371 2.386 20 0 BEADMP CC[C@@H]1C[C@H]([NH2+][C@@H](C)C[NH+](CC)CC)CCO1 ZINC000070360814 411409487 /nfs/dbraw/zinc/40/94/87/411409487.db2.gz VREOMMASCXLJPV-BFHYXJOUSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCc2ccccc21 ZINC000404880769 411410806 /nfs/dbraw/zinc/41/08/06/411410806.db2.gz FVQYXAYFJZRMOH-UONOGXRCSA-N 2 1 244.382 2.258 20 0 BEADMP CC(C)[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000653568440 411423557 /nfs/dbraw/zinc/42/35/57/411423557.db2.gz WNNKOPDJYZTPPR-ZDUSSCGKSA-N 2 1 235.375 2.331 20 0 BEADMP CC(C)[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000653568440 411423558 /nfs/dbraw/zinc/42/35/58/411423558.db2.gz WNNKOPDJYZTPPR-ZDUSSCGKSA-N 2 1 235.375 2.331 20 0 BEADMP Cc1cc[nH+]c(N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000276996656 411442796 /nfs/dbraw/zinc/44/27/96/411442796.db2.gz HJJMPSATOHIQIC-CYBMUJFWSA-N 2 1 233.359 2.311 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2C[C@H](OC(C)(C)C)C2)CC1 ZINC000655838338 411532722 /nfs/dbraw/zinc/53/27/22/411532722.db2.gz AGTNVCMMNVWKGI-JOCQHMNTSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@@H]1OCC[C@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000657369581 411483440 /nfs/dbraw/zinc/48/34/40/411483440.db2.gz FASFIZPQJIBVCX-MJBXVCDLSA-N 2 1 240.391 2.018 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)[C@@H]2C)CC1 ZINC000308932104 169957232 /nfs/dbraw/zinc/95/72/32/169957232.db2.gz ROMRLWUKUUNXHC-NTZNESFSSA-N 2 1 210.365 2.105 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)[C@]2(C)CCCO2)CC1 ZINC000340179487 169957267 /nfs/dbraw/zinc/95/72/67/169957267.db2.gz DDQUNQSANYZQBC-OCCSQVGLSA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)=CCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000659925493 411500096 /nfs/dbraw/zinc/50/00/96/411500096.db2.gz JNSBHSZWIRWFEC-ZDUSSCGKSA-N 2 1 210.365 2.226 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccsc2C)C1 ZINC000293726439 170007558 /nfs/dbraw/zinc/00/75/58/170007558.db2.gz YWHGABBKOFQLDE-LBPRGKRZSA-N 2 1 238.400 2.488 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000224996906 170008648 /nfs/dbraw/zinc/00/86/48/170008648.db2.gz MHZUPRZVHCWLDL-KGLIPLIRSA-N 2 1 222.376 2.274 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC23CCC3)C1 ZINC000309953723 170010152 /nfs/dbraw/zinc/01/01/52/170010152.db2.gz HIKPEQRBDDCSHZ-STQMWFEESA-N 2 1 222.376 2.251 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC000037643771 170015093 /nfs/dbraw/zinc/01/50/93/170015093.db2.gz XSLPMLYMGOCXFU-OAHLLOKOSA-N 2 1 232.371 2.426 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC2CC2)[C@@H](C)C1 ZINC000336671497 170018030 /nfs/dbraw/zinc/01/80/30/170018030.db2.gz YULJXPKRASGVSH-JSGCOSHPSA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC2CC2)[C@@H](C)C1 ZINC000336671497 170018031 /nfs/dbraw/zinc/01/80/31/170018031.db2.gz YULJXPKRASGVSH-JSGCOSHPSA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC2CC2)[C@@H](C)C1 ZINC000336671497 170018032 /nfs/dbraw/zinc/01/80/32/170018032.db2.gz YULJXPKRASGVSH-JSGCOSHPSA-N 2 1 224.392 2.449 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccn2C)[C@H](C)C1 ZINC000093639676 170018883 /nfs/dbraw/zinc/01/88/83/170018883.db2.gz NLSGIZXCDASZHO-HIFRSBDPSA-N 2 1 249.402 2.187 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccn2C)[C@H](C)C1 ZINC000093639676 170018884 /nfs/dbraw/zinc/01/88/84/170018884.db2.gz NLSGIZXCDASZHO-HIFRSBDPSA-N 2 1 249.402 2.187 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccn2C)[C@H](C)C1 ZINC000093639676 170018885 /nfs/dbraw/zinc/01/88/85/170018885.db2.gz NLSGIZXCDASZHO-HIFRSBDPSA-N 2 1 249.402 2.187 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccn2C)[C@H](C)C1 ZINC000093639676 170018886 /nfs/dbraw/zinc/01/88/86/170018886.db2.gz NLSGIZXCDASZHO-HIFRSBDPSA-N 2 1 249.402 2.187 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CC2)C[C@@H]1C ZINC000336648177 170019224 /nfs/dbraw/zinc/01/92/24/170019224.db2.gz NRSAZOIPPIDPJF-AAEUAGOBSA-N 2 1 210.365 2.201 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CC2)C[C@@H]1C ZINC000336648177 170019226 /nfs/dbraw/zinc/01/92/26/170019226.db2.gz NRSAZOIPPIDPJF-AAEUAGOBSA-N 2 1 210.365 2.201 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CC2)C[C@@H]1C ZINC000336648177 170019228 /nfs/dbraw/zinc/01/92/28/170019228.db2.gz NRSAZOIPPIDPJF-AAEUAGOBSA-N 2 1 210.365 2.201 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC2(C)C)[C@@H](C)C1 ZINC000309426296 170021568 /nfs/dbraw/zinc/02/15/68/170021568.db2.gz FIFFYMMZZJRRNB-AVGNSLFASA-N 2 1 224.392 2.352 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2F)[C@H](C)C1 ZINC000340524095 170022414 /nfs/dbraw/zinc/02/24/14/170022414.db2.gz KBFBNRPZMZVMDU-MROQNXINSA-N 2 1 228.355 2.197 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2F)[C@H](C)C1 ZINC000340524095 170022415 /nfs/dbraw/zinc/02/24/15/170022415.db2.gz KBFBNRPZMZVMDU-MROQNXINSA-N 2 1 228.355 2.197 20 0 BEADMP CC[N@H+]1C[C@H](NCc2cscc2C)[C@@H](C)C1 ZINC000309648239 170036528 /nfs/dbraw/zinc/03/65/28/170036528.db2.gz NBDAJQINQUBLGW-GWCFXTLKSA-N 2 1 238.400 2.486 20 0 BEADMP CC(C)(C)[N@@H+]1CC[C@H]1CNCc1cccnc1 ZINC000657524755 411542426 /nfs/dbraw/zinc/54/24/26/411542426.db2.gz QXJSAGXEOFOBLU-ZDUSSCGKSA-N 2 1 233.359 2.044 20 0 BEADMP CC(C)(C)[N@H+]1CC[C@H]1CNCc1cccnc1 ZINC000657524755 411542427 /nfs/dbraw/zinc/54/24/27/411542427.db2.gz QXJSAGXEOFOBLU-ZDUSSCGKSA-N 2 1 233.359 2.044 20 0 BEADMP CC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000334445243 170166650 /nfs/dbraw/zinc/16/66/50/170166650.db2.gz IYTYRZNDFIPHQF-KBPBESRZSA-N 2 1 218.344 2.431 20 0 BEADMP CC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000334445243 170166652 /nfs/dbraw/zinc/16/66/52/170166652.db2.gz IYTYRZNDFIPHQF-KBPBESRZSA-N 2 1 218.344 2.431 20 0 BEADMP C([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CC1 ZINC000663346968 411632547 /nfs/dbraw/zinc/63/25/47/411632547.db2.gz YWUIKBXVRYDWCM-AWEZNQCLSA-N 2 1 222.376 2.108 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CC1 ZINC000663346264 411634146 /nfs/dbraw/zinc/63/41/46/411634146.db2.gz RUJBOCFBQVTNAD-JSGCOSHPSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1cc2cnccc2o1 ZINC000657814865 411604478 /nfs/dbraw/zinc/60/44/78/411604478.db2.gz AEUMCVOEBCRPOW-LLVKDONJSA-N 2 1 247.342 2.430 20 0 BEADMP CCOC1CCC([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000657824855 411607797 /nfs/dbraw/zinc/60/77/97/411607797.db2.gz WBERLWJVFCVFDS-UHFFFAOYSA-N 2 1 240.391 2.018 20 0 BEADMP CC[C@@H](C)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654952 411613047 /nfs/dbraw/zinc/61/30/47/411613047.db2.gz DGUNANXNJUXBCR-KGLIPLIRSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@@H](C)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654952 411613048 /nfs/dbraw/zinc/61/30/48/411613048.db2.gz DGUNANXNJUXBCR-KGLIPLIRSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@@H](C)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654952 411613049 /nfs/dbraw/zinc/61/30/49/411613049.db2.gz DGUNANXNJUXBCR-KGLIPLIRSA-N 2 1 224.392 2.450 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCSCC2)C1 ZINC000657875881 411615280 /nfs/dbraw/zinc/61/52/80/411615280.db2.gz IOJCBXXMDKMEIV-STQMWFEESA-N 2 1 242.432 2.204 20 0 BEADMP C[N@H+]1CCC[C@@H](CNc2[nH+]ccc3[nH]ccc32)C1 ZINC000663578765 411705478 /nfs/dbraw/zinc/70/54/78/411705478.db2.gz LYMBUUDYILWBEY-NSHDSACASA-N 2 1 244.342 2.317 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660933289 411682612 /nfs/dbraw/zinc/68/26/12/411682612.db2.gz NWNDTDLMVYNWMB-KBPBESRZSA-N 2 1 233.359 2.456 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660933289 411682615 /nfs/dbraw/zinc/68/26/15/411682615.db2.gz NWNDTDLMVYNWMB-KBPBESRZSA-N 2 1 233.359 2.456 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000663510014 411693063 /nfs/dbraw/zinc/69/30/63/411693063.db2.gz NRQSUPVOZHSFNO-UONOGXRCSA-N 2 1 234.387 2.453 20 0 BEADMP C[C@@H](CCNc1[nH]c2ccccc2[nH+]1)[NH+](C)C ZINC000664243522 411895240 /nfs/dbraw/zinc/89/52/40/411895240.db2.gz LRHRWDQTXOZVAX-JTQLQIEISA-N 2 1 232.331 2.315 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661966891 411924011 /nfs/dbraw/zinc/92/40/11/411924011.db2.gz AMHJFAFQSWOGRB-CHWSQXEVSA-N 2 1 210.365 2.060 20 0 BEADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1cncn1C ZINC000662127452 411994915 /nfs/dbraw/zinc/99/49/15/411994915.db2.gz ABQGBJMEBOTQKI-YHWZYXNKSA-N 2 1 233.359 2.226 20 0 BEADMP CCC[N@H+](C)CC(C)(C)[NH2+]CC[C@@H]1CCCO1 ZINC000662178137 412019003 /nfs/dbraw/zinc/01/90/03/412019003.db2.gz OYAAKDBAVNCLTA-ZDUSSCGKSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CC[C@@H]1CCCO1 ZINC000662178137 412019005 /nfs/dbraw/zinc/01/90/05/412019005.db2.gz OYAAKDBAVNCLTA-ZDUSSCGKSA-N 2 1 242.407 2.266 20 0 BEADMP CC[C@@H]1C[N@@H+](Cc2cccc(OC)c2)CC[C@@H]1[NH3+] ZINC000134100231 412058859 /nfs/dbraw/zinc/05/88/59/412058859.db2.gz YOBRXQPRMUSGAU-HIFRSBDPSA-N 2 1 248.370 2.254 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000662245509 412040951 /nfs/dbraw/zinc/04/09/51/412040951.db2.gz RTNWMUKWTVGKCO-MXWKQRLJSA-N 2 1 234.334 2.337 20 0 BEADMP CC[C@@H](C[NH2+][C@](C)(C[NH3+])C1CC1)CC(F)F ZINC000662247378 412045339 /nfs/dbraw/zinc/04/53/39/412045339.db2.gz GCZDTGSTWVJVHR-BXKDBHETSA-N 2 1 234.334 2.385 20 0 BEADMP CO[C@H](C[N@@H+](C)CC[C@H]([NH3+])C(C)C)C1CCC1 ZINC000662248034 412047740 /nfs/dbraw/zinc/04/77/40/412047740.db2.gz RFBVAEXMZFUHHX-UONOGXRCSA-N 2 1 242.407 2.107 20 0 BEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCC1CCC1 ZINC000662265500 412055911 /nfs/dbraw/zinc/05/59/11/412055911.db2.gz PRZLWABROQEWKW-AAEUAGOBSA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000662263445 412055976 /nfs/dbraw/zinc/05/59/76/412055976.db2.gz BHSBLUQHHPYEKX-AXFHLTTASA-N 2 1 234.334 2.337 20 0 BEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCC1CCC1 ZINC000662265501 412056651 /nfs/dbraw/zinc/05/66/51/412056651.db2.gz PRZLWABROQEWKW-DGCLKSJQSA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000336660804 171059494 /nfs/dbraw/zinc/05/94/94/171059494.db2.gz BXABFRUWHKBKTL-YNEHKIRRSA-N 2 1 212.381 2.493 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000336660804 171059497 /nfs/dbraw/zinc/05/94/97/171059497.db2.gz BXABFRUWHKBKTL-YNEHKIRRSA-N 2 1 212.381 2.493 20 0 BEADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cc(C2CC2)no1 ZINC000662273214 412065854 /nfs/dbraw/zinc/06/58/54/412065854.db2.gz MZQIDALOGVMOAB-LBPRGKRZSA-N 2 1 249.358 2.255 20 0 BEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc(C2CC2)no1 ZINC000662273214 412065858 /nfs/dbraw/zinc/06/58/58/412065858.db2.gz MZQIDALOGVMOAB-LBPRGKRZSA-N 2 1 249.358 2.255 20 0 BEADMP CC(C)=CCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000662275830 412067766 /nfs/dbraw/zinc/06/77/66/412067766.db2.gz FBJBXYJQKHTBOL-FRRDWIJNSA-N 2 1 210.365 2.319 20 0 BEADMP C(CC1CCC1)C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662276683 412069909 /nfs/dbraw/zinc/06/99/09/412069909.db2.gz OIXUGDGQTKZLAO-ZIAGYGMSSA-N 2 1 222.376 2.251 20 0 BEADMP C(CC1CCC1)C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662276683 412069910 /nfs/dbraw/zinc/06/99/10/412069910.db2.gz OIXUGDGQTKZLAO-ZIAGYGMSSA-N 2 1 222.376 2.251 20 0 BEADMP CC[C@H](C)C[NH2+]CCC[N@@H+](C)C(C)C ZINC000128857392 171285340 /nfs/dbraw/zinc/28/53/40/171285340.db2.gz HCDKFSKVKCSXCM-LBPRGKRZSA-N 2 1 200.370 2.352 20 0 BEADMP CC[C@H](C)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036996358 171287928 /nfs/dbraw/zinc/28/79/28/171287928.db2.gz KQQHOWAEAOROFD-RWMBFGLXSA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@H](C)C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036996358 171287929 /nfs/dbraw/zinc/28/79/29/171287929.db2.gz KQQHOWAEAOROFD-RWMBFGLXSA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293856 412082730 /nfs/dbraw/zinc/08/27/30/412082730.db2.gz OSDQDVFDNJQEMX-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]([NH3+])C[N@@H+]1CCCC2(CCCC2)CC1 ZINC000662298252 412084252 /nfs/dbraw/zinc/08/42/52/412084252.db2.gz ASVSNKWFICQVML-GFCCVEGCSA-N 2 1 210.365 2.380 20 0 BEADMP C[C@@H]([NH3+])C[N@H+]1CCCC2(CCCC2)CC1 ZINC000662298252 412084254 /nfs/dbraw/zinc/08/42/54/412084254.db2.gz ASVSNKWFICQVML-GFCCVEGCSA-N 2 1 210.365 2.380 20 0 BEADMP CC[C@H](C)[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336729577 171364428 /nfs/dbraw/zinc/36/44/28/171364428.db2.gz JDKSUNLPZLSPQU-NWDGAFQWSA-N 2 1 210.365 2.273 20 0 BEADMP CC[C@H](C)[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000049330387 171364845 /nfs/dbraw/zinc/36/48/45/171364845.db2.gz JVCPHWLHXUXRDG-WDEREUQCSA-N 2 1 209.337 2.216 20 0 BEADMP CC[C@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294071 412081820 /nfs/dbraw/zinc/08/18/20/412081820.db2.gz OSDQDVFDNJQEMX-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H](C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)OC ZINC000362974924 171393656 /nfs/dbraw/zinc/39/36/56/171393656.db2.gz CCHNPYVECONCFP-DGAVXFQQSA-N 2 1 242.407 2.120 20 0 BEADMP Cc1cccc([C@H](C)[N@@H+]2CC3CC2(C[NH3+])C3)c1 ZINC000662304631 412088562 /nfs/dbraw/zinc/08/85/62/412088562.db2.gz SDYBTVHQYNLWDI-OPFPJEHXSA-N 2 1 230.355 2.479 20 0 BEADMP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000662305436 412091415 /nfs/dbraw/zinc/09/14/15/412091415.db2.gz HPXQXOMYECBDKN-DZGCQCFKSA-N 2 1 236.403 2.498 20 0 BEADMP CCOCCC[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315388 412096558 /nfs/dbraw/zinc/09/65/58/412096558.db2.gz SJPOBAMLKXCQQM-ZIAGYGMSSA-N 2 1 242.407 2.252 20 0 BEADMP C(C[N@H+]1CCC[C@H](C2CCC2)C1)[C@H]1CC[NH2+]C1 ZINC000662317272 412098030 /nfs/dbraw/zinc/09/80/30/412098030.db2.gz OBGLBTOOXMSJLK-HIFRSBDPSA-N 2 1 236.403 2.498 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000662324383 412102375 /nfs/dbraw/zinc/10/23/75/412102375.db2.gz WTEKODURVZWMTK-CQSZACIVSA-N 2 1 232.371 2.258 20 0 BEADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1CC1(C)C ZINC000662331579 412104941 /nfs/dbraw/zinc/10/49/41/412104941.db2.gz NRLNLXGRGYMEPO-STQMWFEESA-N 2 1 224.392 2.354 20 0 BEADMP CC12CC(C1)C[N@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000662337249 412108714 /nfs/dbraw/zinc/10/87/14/412108714.db2.gz KJSGKHPNTIKSFX-UHFFFAOYSA-N 2 1 242.366 2.317 20 0 BEADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1CC1(C)C ZINC000662345689 412115505 /nfs/dbraw/zinc/11/55/05/412115505.db2.gz LCEFZRZFNCCBPN-STQMWFEESA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@@H]1CC1(C)C ZINC000662345689 412115510 /nfs/dbraw/zinc/11/55/10/412115510.db2.gz LCEFZRZFNCCBPN-STQMWFEESA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@@H]1CC1(C)C ZINC000662345689 412115514 /nfs/dbraw/zinc/11/55/14/412115514.db2.gz LCEFZRZFNCCBPN-STQMWFEESA-N 2 1 224.392 2.449 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1C ZINC000665245934 412191477 /nfs/dbraw/zinc/19/14/77/412191477.db2.gz VFOFYXCLXWEGDA-CJNGLKHVSA-N 2 1 246.398 2.434 20 0 BEADMP Cc1cncc([C@H](C)[NH2+]CC2([NH3+])CCCC2)c1 ZINC000665248053 412193626 /nfs/dbraw/zinc/19/36/26/412193626.db2.gz OCXTYLVTVUGCBE-LBPRGKRZSA-N 2 1 233.359 2.312 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)[C@H]1CCC[NH2+]1 ZINC000665273731 412215147 /nfs/dbraw/zinc/21/51/47/412215147.db2.gz CKQMDMNMGXRJTR-BBBLOLIVSA-N 2 1 232.318 2.008 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000665274072 412215233 /nfs/dbraw/zinc/21/52/33/412215233.db2.gz JGGNYLPYFMQJDO-OUAUKWLOSA-N 2 1 246.345 2.398 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1c[nH+]ccc1N ZINC000665264595 412206986 /nfs/dbraw/zinc/20/69/86/412206986.db2.gz DGKXGNLWJLTTRR-IJLUTSLNSA-N 2 1 249.358 2.102 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)[C@@H]1CCC[NH2+]1 ZINC000665273737 412215482 /nfs/dbraw/zinc/21/54/82/412215482.db2.gz CKQMDMNMGXRJTR-UTLUCORTSA-N 2 1 232.318 2.008 20 0 BEADMP C[C@@H]([NH2+]C[C@H](C)c1ccccn1)[C@@H]1CCCC[NH2+]1 ZINC000665232050 412170384 /nfs/dbraw/zinc/17/03/84/412170384.db2.gz FCPINYRHYBEMNR-GUTXKFCHSA-N 2 1 247.386 2.305 20 0 BEADMP C[C@@H]([NH2+]CC1=CCCC1)c1c[nH+]ccc1N ZINC000665274483 412217001 /nfs/dbraw/zinc/21/70/01/412217001.db2.gz QWEWFFHDTBDYQK-SNVBAGLBSA-N 2 1 217.316 2.255 20 0 BEADMP C[C@H]([NH2+]CCCc1ccco1)[C@@H]1CCCC[NH2+]1 ZINC000665283551 412228558 /nfs/dbraw/zinc/22/85/58/412228558.db2.gz PSOFIRHJWWRSES-JSGCOSHPSA-N 2 1 236.359 2.332 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000665298560 412245887 /nfs/dbraw/zinc/24/58/87/412245887.db2.gz YHAYLSWVDRSTCY-IDKOKCKLSA-N 2 1 220.307 2.008 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000665298428 412246542 /nfs/dbraw/zinc/24/65/42/412246542.db2.gz VXONITORHYNHEC-GHMZBOCLSA-N 2 1 200.370 2.399 20 0 BEADMP C[N@@H+](Cc1cccs1)C1CCC([NH3+])CC1 ZINC000055144347 172892400 /nfs/dbraw/zinc/89/24/00/172892400.db2.gz JGDISJRLMJURQF-UHFFFAOYSA-N 2 1 224.373 2.450 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)CC1 ZINC000076683309 173021225 /nfs/dbraw/zinc/02/12/25/173021225.db2.gz XLMVCIAZDBQJSX-CQSZACIVSA-N 2 1 236.334 2.400 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCCCC1 ZINC000124616693 173029080 /nfs/dbraw/zinc/02/90/80/173029080.db2.gz UBPLILOIEIEQRR-CYBMUJFWSA-N 2 1 210.365 2.347 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1c1cccs1 ZINC000069796360 173042231 /nfs/dbraw/zinc/04/22/31/173042231.db2.gz DPKWXOKHANQUNA-MWLCHTKSSA-N 2 1 210.346 2.090 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccccc2)CC1 ZINC000076647099 173045553 /nfs/dbraw/zinc/04/55/53/173045553.db2.gz UNVBVZINQUNNCC-AWEZNQCLSA-N 2 1 218.344 2.261 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC2CCC1CC2 ZINC000371390479 173051737 /nfs/dbraw/zinc/05/17/37/173051737.db2.gz WPKPDMHOBNZETO-MOKVOYLWSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC2CCC1CC2 ZINC000371390479 173051739 /nfs/dbraw/zinc/05/17/39/173051739.db2.gz WPKPDMHOBNZETO-MOKVOYLWSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC2CCC1CC2 ZINC000371390479 173051740 /nfs/dbraw/zinc/05/17/40/173051740.db2.gz WPKPDMHOBNZETO-MOKVOYLWSA-N 2 1 222.376 2.345 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2)[C@H]2CCC[C@@H]21 ZINC000367620689 173153586 /nfs/dbraw/zinc/15/35/86/173153586.db2.gz QUGOVTIOUXRJRX-ILXRZTDVSA-N 2 1 245.370 2.044 20 0 BEADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccsc3)C2)C1 ZINC000292882646 173167269 /nfs/dbraw/zinc/16/72/69/173167269.db2.gz XWTSNUJAZRJTFO-ZDUSSCGKSA-N 2 1 236.384 2.276 20 0 BEADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccsc3)C2)C1 ZINC000292882646 173167272 /nfs/dbraw/zinc/16/72/72/173167272.db2.gz XWTSNUJAZRJTFO-ZDUSSCGKSA-N 2 1 236.384 2.276 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000292882646 173167274 /nfs/dbraw/zinc/16/72/74/173167274.db2.gz XWTSNUJAZRJTFO-ZDUSSCGKSA-N 2 1 236.384 2.276 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000292882646 173167276 /nfs/dbraw/zinc/16/72/76/173167276.db2.gz XWTSNUJAZRJTFO-ZDUSSCGKSA-N 2 1 236.384 2.276 20 0 BEADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000375733656 173197896 /nfs/dbraw/zinc/19/78/96/173197896.db2.gz BWHAPWVFJWFTFO-XQQFMLRXSA-N 2 1 222.376 2.059 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000375733656 173197897 /nfs/dbraw/zinc/19/78/97/173197897.db2.gz BWHAPWVFJWFTFO-XQQFMLRXSA-N 2 1 222.376 2.059 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000375733656 173197899 /nfs/dbraw/zinc/19/78/99/173197899.db2.gz BWHAPWVFJWFTFO-XQQFMLRXSA-N 2 1 222.376 2.059 20 0 BEADMP C[NH2+]CCC[N@@H+](C)CCCC(C)(C)C ZINC000300804458 173345695 /nfs/dbraw/zinc/34/56/95/173345695.db2.gz FAJXQSHRWBKPRU-UHFFFAOYSA-N 2 1 200.370 2.354 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc2c(c1)CCC2 ZINC000124983640 173346279 /nfs/dbraw/zinc/34/62/79/173346279.db2.gz GFIAHMRVRGLBDJ-UHFFFAOYSA-N 2 1 232.371 2.217 20 0 BEADMP C[NH2+]CCC[N@@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC000124777315 173346338 /nfs/dbraw/zinc/34/63/38/173346338.db2.gz DNPQAZSOXVYNGK-GFCCVEGCSA-N 2 1 236.359 2.298 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000045086635 173347415 /nfs/dbraw/zinc/34/74/15/173347415.db2.gz REEPJCOEBWXTEO-ZDUSSCGKSA-N 2 1 210.365 2.251 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000011888700 173367518 /nfs/dbraw/zinc/36/75/18/173367518.db2.gz GQFMWUDJPLSKEB-ZDUSSCGKSA-N 2 1 236.334 2.257 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000011888700 173367521 /nfs/dbraw/zinc/36/75/21/173367521.db2.gz GQFMWUDJPLSKEB-ZDUSSCGKSA-N 2 1 236.334 2.257 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(OC)c2)C1 ZINC000011888742 173368316 /nfs/dbraw/zinc/36/83/16/173368316.db2.gz DZPWBRRMTPAMQT-AWEZNQCLSA-N 2 1 248.370 2.127 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000011888742 173368317 /nfs/dbraw/zinc/36/83/17/173368317.db2.gz DZPWBRRMTPAMQT-AWEZNQCLSA-N 2 1 248.370 2.127 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC000124396854 173369589 /nfs/dbraw/zinc/36/95/89/173369589.db2.gz BZVFUWVNKDBQEN-JTQLQIEISA-N 2 1 238.297 2.260 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000336578219 173370786 /nfs/dbraw/zinc/37/07/86/173370786.db2.gz XWAMORDMIVXZQN-XHDPSFHLSA-N 2 1 248.345 2.354 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2coc3ccccc23)C1 ZINC000131032935 173370987 /nfs/dbraw/zinc/37/09/87/173370987.db2.gz HPFWIPDSJIIIHT-LBPRGKRZSA-N 2 1 244.338 2.474 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(C)c2C)C1 ZINC000071142595 173371075 /nfs/dbraw/zinc/37/10/75/173371075.db2.gz MJCJUUVQPGBFGO-AWEZNQCLSA-N 2 1 232.371 2.345 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](C)c2ccccc2)C1 ZINC000251074332 173371198 /nfs/dbraw/zinc/37/11/98/173371198.db2.gz GCKDVGNWRPGYLR-KBPBESRZSA-N 2 1 232.371 2.331 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC000011888677 173379292 /nfs/dbraw/zinc/37/92/92/173379292.db2.gz CFKBBMDKVJFXRF-CQSZACIVSA-N 2 1 232.371 2.426 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000053032035 173381272 /nfs/dbraw/zinc/38/12/72/173381272.db2.gz ASPAPIKUNPVDNO-VXGBXAGGSA-N 2 1 236.334 2.428 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000053032035 173381274 /nfs/dbraw/zinc/38/12/74/173381274.db2.gz ASPAPIKUNPVDNO-VXGBXAGGSA-N 2 1 236.334 2.428 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000011892052 173381865 /nfs/dbraw/zinc/38/18/65/173381865.db2.gz YBNCTWRPIRHPKI-OAHLLOKOSA-N 2 1 232.371 2.161 20 0 BEADMP CC1(C)CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000087255012 487627903 /nfs/dbraw/zinc/62/79/03/487627903.db2.gz RSIQLAPDYNZKQN-UHFFFAOYSA-N 2 1 224.392 2.498 20 0 BEADMP COCCCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000122695103 174184178 /nfs/dbraw/zinc/18/41/78/174184178.db2.gz YZQSYCIJLHGKED-HZSPNIEDSA-N 2 1 242.407 2.121 20 0 BEADMP COc1ccc(C)cc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000234858042 175074950 /nfs/dbraw/zinc/07/49/50/175074950.db2.gz IONCKPMFXIOTOO-OAHLLOKOSA-N 2 1 248.370 2.174 20 0 BEADMP COc1cccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000070074238 175258207 /nfs/dbraw/zinc/25/82/07/175258207.db2.gz KKCALSCCZZHGOH-ZDUSSCGKSA-N 2 1 248.370 2.256 20 0 BEADMP COc1cccc([C@H](C)NCc2c[nH]cn2)c1 ZINC000054765030 175293561 /nfs/dbraw/zinc/29/35/61/175293561.db2.gz ZYHIJRSFBDHISN-JTQLQIEISA-N 2 1 231.299 2.269 20 0 BEADMP COc1ccccc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000042442367 175325109 /nfs/dbraw/zinc/32/51/09/175325109.db2.gz TWORQPIEADGYGL-UHFFFAOYSA-N 2 1 248.370 2.127 20 0 BEADMP COc1ccccc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000049708126 175327728 /nfs/dbraw/zinc/32/77/28/175327728.db2.gz OTRVHPZESPHBNN-YPMHNXCESA-N 2 1 234.343 2.007 20 0 BEADMP COc1ccccc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000049708126 175327729 /nfs/dbraw/zinc/32/77/29/175327729.db2.gz OTRVHPZESPHBNN-YPMHNXCESA-N 2 1 234.343 2.007 20 0 BEADMP C[C@@H](c1cccc(O)c1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000094011025 176017743 /nfs/dbraw/zinc/01/77/43/176017743.db2.gz RNXBLPIFVPIFCW-LBPRGKRZSA-N 2 1 248.370 2.385 20 0 BEADMP C[C@@H](c1ccccc1F)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107578088 176024510 /nfs/dbraw/zinc/02/45/10/176024510.db2.gz ARKMTBNHMRASBO-SDDRHHMPSA-N 2 1 234.318 2.038 20 0 BEADMP C[C@@H](c1ccccc1F)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107578088 176024511 /nfs/dbraw/zinc/02/45/11/176024511.db2.gz ARKMTBNHMRASBO-SDDRHHMPSA-N 2 1 234.318 2.038 20 0 BEADMP C[C@@H](c1ccccn1)[N@@H+](C)C[C@@H]1CCCN(C)C1 ZINC000177184901 176026483 /nfs/dbraw/zinc/02/64/83/176026483.db2.gz ARZZKJPCPVJVLW-UONOGXRCSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@@H](c1ccccn1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000177184901 176026484 /nfs/dbraw/zinc/02/64/84/176026484.db2.gz ARZZKJPCPVJVLW-UONOGXRCSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@@H](c1ccccn1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000177184901 176026486 /nfs/dbraw/zinc/02/64/86/176026486.db2.gz ARZZKJPCPVJVLW-UONOGXRCSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@@H](c1ccccn1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000177184901 176026488 /nfs/dbraw/zinc/02/64/88/176026488.db2.gz ARZZKJPCPVJVLW-UONOGXRCSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@@H](c1ccccn1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000177184901 176026490 /nfs/dbraw/zinc/02/64/90/176026490.db2.gz ARZZKJPCPVJVLW-UONOGXRCSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@@H](c1ccncc1)[N@@H+](C)CCCn1ccnc1 ZINC000181085130 176034157 /nfs/dbraw/zinc/03/41/57/176034157.db2.gz KOVZRVDPPJQFEN-ZDUSSCGKSA-N 2 1 244.342 2.361 20 0 BEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc[nH]c1 ZINC000080773208 176070485 /nfs/dbraw/zinc/07/04/85/176070485.db2.gz JNRSRWGBLCEWQO-CYBMUJFWSA-N 2 1 235.375 2.369 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357045036 176077060 /nfs/dbraw/zinc/07/70/60/176077060.db2.gz HMEVJWXMEMXBFD-LXTVHRRPSA-N 2 1 236.403 2.354 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)[C@@H]1C ZINC000050564932 176096342 /nfs/dbraw/zinc/09/63/42/176096342.db2.gz KCSAISMNIWUKGG-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CCC[C@@H]([N@@H+](C)C[C@@H]2CCC[NH2+]C2)C1 ZINC000042495706 176120928 /nfs/dbraw/zinc/12/09/28/176120928.db2.gz LCBANQWDZGQMCW-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300244543 176128396 /nfs/dbraw/zinc/12/83/96/176128396.db2.gz YBPNIFVWULNFES-SYQHCUMBSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000336751978 176128754 /nfs/dbraw/zinc/12/87/54/176128754.db2.gz CRNNJBUSBORSKR-AAVRWANBSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000309153730 176150800 /nfs/dbraw/zinc/15/08/00/176150800.db2.gz WZBDZGKDNVMHTC-FRRDWIJNSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000336347245 176169750 /nfs/dbraw/zinc/16/97/50/176169750.db2.gz AXBYJNWFTCSNGK-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000336347245 176169752 /nfs/dbraw/zinc/16/97/52/176169752.db2.gz AXBYJNWFTCSNGK-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000336347245 176169753 /nfs/dbraw/zinc/16/97/53/176169753.db2.gz AXBYJNWFTCSNGK-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000059535378 176176149 /nfs/dbraw/zinc/17/61/49/176176149.db2.gz FKMJKEQHUVZBJG-OCCSQVGLSA-N 2 1 218.344 2.103 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CC[NH3+])c2ccccc21 ZINC000136960827 176212273 /nfs/dbraw/zinc/21/22/73/176212273.db2.gz YHRCBAHRSHTRLI-ZWNOBZJWSA-N 2 1 204.317 2.173 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000069674861 176233569 /nfs/dbraw/zinc/23/35/69/176233569.db2.gz DOTSREYMHRSYNQ-LPWJVIDDSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000358302580 176269557 /nfs/dbraw/zinc/26/95/57/176269557.db2.gz PSPPWDWXLNGYAN-WOPDTQHZSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000358302580 176269559 /nfs/dbraw/zinc/26/95/59/176269559.db2.gz PSPPWDWXLNGYAN-WOPDTQHZSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC1(C)C ZINC000308838231 176269677 /nfs/dbraw/zinc/26/96/77/176269677.db2.gz METDLQFUNQPELY-GRYCIOLGSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC1(C)C ZINC000308838231 176269679 /nfs/dbraw/zinc/26/96/79/176269679.db2.gz METDLQFUNQPELY-GRYCIOLGSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCCC1 ZINC000036907483 176277955 /nfs/dbraw/zinc/27/79/55/176277955.db2.gz DPAJTUCYATWMFY-NQBHXWOUSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CSC1(C)C ZINC000309823378 176278210 /nfs/dbraw/zinc/27/82/10/176278210.db2.gz WVTQGNGZADXBRE-WYUUTHIRSA-N 2 1 242.432 2.199 20 0 BEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000131760383 176367544 /nfs/dbraw/zinc/36/75/44/176367544.db2.gz OXGZFWVRIBTNJD-OCCSQVGLSA-N 2 1 244.382 2.344 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC(C)(C)C2)CC[NH2+]1 ZINC000235380805 176369156 /nfs/dbraw/zinc/36/91/56/176369156.db2.gz VJSXXZBHWXUWCE-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC000235413641 176369194 /nfs/dbraw/zinc/36/91/94/176369194.db2.gz HNOUVSUKFPDUMS-KGLIPLIRSA-N 2 1 244.382 2.433 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccs1 ZINC000049712691 176370750 /nfs/dbraw/zinc/37/07/50/176370750.db2.gz RPMZHVZUTQBWJA-ZJUUUORDSA-N 2 1 210.346 2.060 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(F)cc1 ZINC000049709454 176371273 /nfs/dbraw/zinc/37/12/73/176371273.db2.gz RVFKYRHUJKJHFY-MFKMUULPSA-N 2 1 222.307 2.137 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(F)cc1 ZINC000049709454 176371274 /nfs/dbraw/zinc/37/12/74/176371274.db2.gz RVFKYRHUJKJHFY-MFKMUULPSA-N 2 1 222.307 2.137 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC2(C)C)CC[N@@H+]1C ZINC000336714785 176379200 /nfs/dbraw/zinc/37/92/00/176379200.db2.gz WHBOPQOZOYFPCL-GRYCIOLGSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC2(C)C)CC[N@H+]1C ZINC000336714785 176379201 /nfs/dbraw/zinc/37/92/01/176379201.db2.gz WHBOPQOZOYFPCL-GRYCIOLGSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@H](F)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000340471973 176740923 /nfs/dbraw/zinc/74/09/23/176740923.db2.gz XXZDUYROMVARHS-NOOOWODRSA-N 2 1 216.344 2.053 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cccc(O)c1 ZINC000261551883 176899075 /nfs/dbraw/zinc/89/90/75/176899075.db2.gz MMOGRWDOGFTHOK-UHIISALHSA-N 2 1 234.343 2.041 20 0 BEADMP C[C@H](c1ccncc1)[N@@H+](C)CCCn1ccnc1 ZINC000181085149 177050251 /nfs/dbraw/zinc/05/02/51/177050251.db2.gz KOVZRVDPPJQFEN-CYBMUJFWSA-N 2 1 244.342 2.361 20 0 BEADMP C[C@H]1CCCC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000309819639 177082568 /nfs/dbraw/zinc/08/25/68/177082568.db2.gz WBJZRQZYJNLVIB-AAEUAGOBSA-N 2 1 221.348 2.131 20 0 BEADMP C[C@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000042856410 177086328 /nfs/dbraw/zinc/08/63/28/177086328.db2.gz RFJLHSSBKWKONS-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000124631131 177099596 /nfs/dbraw/zinc/09/95/96/177099596.db2.gz CEFHIKARRVAVCP-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000124631131 177099598 /nfs/dbraw/zinc/09/95/98/177099598.db2.gz CEFHIKARRVAVCP-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000124631131 177099600 /nfs/dbraw/zinc/09/96/00/177099600.db2.gz CEFHIKARRVAVCP-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000134197523 177116668 /nfs/dbraw/zinc/11/66/68/177116668.db2.gz QOJGMBZILUXYAD-FRRDWIJNSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1CCC[C@@H](CC[N@@H+]2CC[C@@H]([NH3+])C2)C1 ZINC000226869457 177118274 /nfs/dbraw/zinc/11/82/74/177118274.db2.gz HCRQXGXLRVFCLG-RWMBFGLXSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]1CCC[C@@H](CC[N@H+]2CC[C@@H]([NH3+])C2)C1 ZINC000226869457 177118275 /nfs/dbraw/zinc/11/82/75/177118275.db2.gz HCRQXGXLRVFCLG-RWMBFGLXSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]1CCC[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)C1 ZINC000042495700 177120360 /nfs/dbraw/zinc/12/03/60/177120360.db2.gz HUMOLXMHUWORFZ-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1CCC[C@H]([N@@H+](C)CC2CC[NH2+]CC2)C1 ZINC000042495696 177133966 /nfs/dbraw/zinc/13/39/66/177133966.db2.gz HUMOLXMHUWORFZ-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1CC[N@H+](CC[NH2+]C(C)(C)C)C[C@H]1C ZINC000253073841 177160386 /nfs/dbraw/zinc/16/03/86/177160386.db2.gz PDQRTUXZLVQQRN-NWDGAFQWSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@H]1CC[N@@H+](CC[NH2+]C(C)(C)C)C[C@H]1C ZINC000253073841 177160388 /nfs/dbraw/zinc/16/03/88/177160388.db2.gz PDQRTUXZLVQQRN-NWDGAFQWSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1 ZINC000242522261 177234422 /nfs/dbraw/zinc/23/44/22/177234422.db2.gz IOHGIIBXOUYHLW-GXTWGEPZSA-N 2 1 218.344 2.116 20 0 BEADMP C[C@H]1C[N@@H+](CCCC(C)(C)C)CC[C@H]1[NH3+] ZINC000300836075 177248781 /nfs/dbraw/zinc/24/87/81/177248781.db2.gz INTNPPMNVQNEMS-NWDGAFQWSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)C(C)(C)C1 ZINC000335631444 177254958 /nfs/dbraw/zinc/25/49/58/177254958.db2.gz PBPAGEFQEGDBPY-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000310290934 177284619 /nfs/dbraw/zinc/28/46/19/177284619.db2.gz ROEWUUKWAPZMCI-ZANVPECISA-N 2 1 240.297 2.052 20 0 BEADMP C[C@H]1C[C@@H](C[N@@H+](C)CC2CCCC2)CC[NH2+]1 ZINC000235697274 177323331 /nfs/dbraw/zinc/32/33/31/177323331.db2.gz XGJOYLGVOMIHRI-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1cccs1 ZINC000049712300 177326912 /nfs/dbraw/zinc/32/69/12/177326912.db2.gz DDKJDMUDZFHXEL-QWRGUYRKSA-N 2 1 224.373 2.102 20 0 BEADMP C[C@H](C[NH2+]C[C@H]1C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000336751423 177345497 /nfs/dbraw/zinc/34/54/97/177345497.db2.gz VHRUUMWKYLJSOO-XJFOESAGSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@H](C[NH2+]C[C@H]1C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000336751423 177345498 /nfs/dbraw/zinc/34/54/98/177345498.db2.gz VHRUUMWKYLJSOO-XJFOESAGSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@H]1C[C@H]([NH+](C)CCC2CC2)CC[N@@H+]1C ZINC000336699513 177365272 /nfs/dbraw/zinc/36/52/72/177365272.db2.gz XQDQGVRDLOREHC-WCQYABFASA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]1C[C@H]([NH+](C)CCC2CC2)CC[N@H+]1C ZINC000336699513 177365274 /nfs/dbraw/zinc/36/52/74/177365274.db2.gz XQDQGVRDLOREHC-WCQYABFASA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]1C[C@H]([N@H+](C)CCC2CC2)CC[NH+]1C ZINC000336699513 177365277 /nfs/dbraw/zinc/36/52/77/177365277.db2.gz XQDQGVRDLOREHC-WCQYABFASA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]1C[C@H]([N@@H+](C)CCC2CC2)CC[NH+]1C ZINC000336699513 177365278 /nfs/dbraw/zinc/36/52/78/177365278.db2.gz XQDQGVRDLOREHC-WCQYABFASA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CC2(C)CCC2)CC[N@H+]1C ZINC000181243998 177369685 /nfs/dbraw/zinc/36/96/85/177369685.db2.gz ACEFXFRSGWKDBZ-NWDGAFQWSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(O)cc2)CC[N@H+]1C ZINC000156113507 177371109 /nfs/dbraw/zinc/37/11/09/177371109.db2.gz STRYNYQFCVQJRC-GXTWGEPZSA-N 2 1 248.370 2.007 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C/C=C\c2ccncc2)CC[N@H+]1C ZINC000487321844 225299185 /nfs/dbraw/zinc/29/91/85/225299185.db2.gz RMAGFDVJMFTMLE-SQLJOLKNSA-N 2 1 245.370 2.167 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000488358716 225386874 /nfs/dbraw/zinc/38/68/74/225386874.db2.gz XZNGOGZDKFIUBI-RBSFLKMASA-N 2 1 236.403 2.450 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C3CC3)C2)CC[NH2+]1 ZINC000400041230 225346514 /nfs/dbraw/zinc/34/65/14/225346514.db2.gz PANXYSCYJMOLHQ-BZPMIXESSA-N 2 1 222.376 2.106 20 0 BEADMP COCC(C)(C)C[NH2+]CC[NH+](C(C)C)C(C)C ZINC000494332868 226264038 /nfs/dbraw/zinc/26/40/38/226264038.db2.gz RHGMUJOLWGDTQL-UHFFFAOYSA-N 2 1 244.423 2.367 20 0 BEADMP C[C@H](Cc1cccs1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400457252 226344034 /nfs/dbraw/zinc/34/40/34/226344034.db2.gz QGTXZYHWYFYWPY-NQBHXWOUSA-N 2 1 238.400 2.409 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCCC12CCCC2 ZINC000308882330 229255921 /nfs/dbraw/zinc/25/59/21/229255921.db2.gz DLGZFHSEOREELO-NWDGAFQWSA-N 2 1 210.365 2.426 20 0 BEADMP C[N@@H+]1CC[C@H]([NH2+]C/C=C\Cl)CC1(C)C ZINC000898430118 584134528 /nfs/dbraw/zinc/13/45/28/584134528.db2.gz UXAMDJMOODIHSP-OAQKJQOQSA-N 2 1 216.756 2.201 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C/C=C\Cl)CC1(C)C ZINC000898430118 584134529 /nfs/dbraw/zinc/13/45/29/584134529.db2.gz UXAMDJMOODIHSP-OAQKJQOQSA-N 2 1 216.756 2.201 20 0 BEADMP C[NH2+]CC[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC000414838042 487694095 /nfs/dbraw/zinc/69/40/95/487694095.db2.gz YJHRLQGDOZLHCT-OLZOCXBDSA-N 2 1 212.381 2.400 20 0 BEADMP C[C@H](c1ccncc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226325634 487710949 /nfs/dbraw/zinc/71/09/49/487710949.db2.gz LNVKLPADSXMBRT-OLZOCXBDSA-N 2 1 233.359 2.203 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000336712243 487719031 /nfs/dbraw/zinc/71/90/31/487719031.db2.gz UXDBETCNMITXON-SDDRHHMPSA-N 2 1 230.421 2.058 20 0 BEADMP CC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000308891330 487722817 /nfs/dbraw/zinc/72/28/17/487722817.db2.gz HPHLQISGXQDDMM-AVGNSLFASA-N 2 1 210.365 2.093 20 0 BEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCSCC)C1 ZINC000081578981 487728240 /nfs/dbraw/zinc/72/82/40/487728240.db2.gz QFCRGDJBNYLMPL-CYBMUJFWSA-N 2 1 244.448 2.403 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCSCC)C1 ZINC000081578981 487728243 /nfs/dbraw/zinc/72/82/43/487728243.db2.gz QFCRGDJBNYLMPL-CYBMUJFWSA-N 2 1 244.448 2.403 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCSCC)C1 ZINC000081578981 487728251 /nfs/dbraw/zinc/72/82/51/487728251.db2.gz QFCRGDJBNYLMPL-CYBMUJFWSA-N 2 1 244.448 2.403 20 0 BEADMP C[C@H](CCCCO)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000651482238 487752442 /nfs/dbraw/zinc/75/24/42/487752442.db2.gz PFTXBQLFKXEMJX-CYBMUJFWSA-N 2 1 242.407 2.002 20 0 BEADMP C[C@H](CCCCO)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000651482238 487752446 /nfs/dbraw/zinc/75/24/46/487752446.db2.gz PFTXBQLFKXEMJX-CYBMUJFWSA-N 2 1 242.407 2.002 20 0 BEADMP CC[C@H]1C[N@@H+](Cc2ccc(OC)cc2)CC[C@H]1[NH3+] ZINC000251770954 487796524 /nfs/dbraw/zinc/79/65/24/487796524.db2.gz MLFBPYQMOPIRBW-DZGCQCFKSA-N 2 1 248.370 2.254 20 0 BEADMP CC[C@@H]1C[N@@H+](CC2CCCC2)CC[C@H]1[NH3+] ZINC000251784113 487798498 /nfs/dbraw/zinc/79/84/98/487798498.db2.gz NFNSFCFEEKOLCQ-CHWSQXEVSA-N 2 1 210.365 2.236 20 0 BEADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000051889550 487812321 /nfs/dbraw/zinc/81/23/21/487812321.db2.gz VREHMDIWTGXLNE-RDBSUJKOSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000252126013 487816821 /nfs/dbraw/zinc/81/68/21/487816821.db2.gz KBOIENMSRJEDCI-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000252209816 487822008 /nfs/dbraw/zinc/82/20/08/487822008.db2.gz WAEQMMVZWAVTNX-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252417670 487823879 /nfs/dbraw/zinc/82/38/79/487823879.db2.gz SUSIWNCPSNUWKN-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000494506509 487834558 /nfs/dbraw/zinc/83/45/58/487834558.db2.gz FILYVAHYYKAPHM-XJFOESAGSA-N 2 1 240.391 2.016 20 0 BEADMP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000494506509 487834567 /nfs/dbraw/zinc/83/45/67/487834567.db2.gz FILYVAHYYKAPHM-XJFOESAGSA-N 2 1 240.391 2.016 20 0 BEADMP C1=CC[N@H+](CCC[NH+]2CCCCC2)CC1 ZINC000682029652 487883199 /nfs/dbraw/zinc/88/31/99/487883199.db2.gz PJBOAYIPEFTKIQ-UHFFFAOYSA-N 2 1 208.349 2.124 20 0 BEADMP C1=CC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC000682029652 487883204 /nfs/dbraw/zinc/88/32/04/487883204.db2.gz PJBOAYIPEFTKIQ-UHFFFAOYSA-N 2 1 208.349 2.124 20 0 BEADMP CCCOc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000666834160 487887809 /nfs/dbraw/zinc/88/78/09/487887809.db2.gz MRKSCXZLICVECP-HNNXBMFYSA-N 2 1 248.370 2.302 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2ccc3cnccc3c2)CCC1 ZINC000666827604 487888430 /nfs/dbraw/zinc/88/84/30/487888430.db2.gz LJZYYEOCZWPOHL-UHFFFAOYSA-N 2 1 241.338 2.206 20 0 BEADMP C[NH2+]CCC[N@H+](C)Cc1nccc2ccccc21 ZINC000667055263 487917666 /nfs/dbraw/zinc/91/76/66/487917666.db2.gz AGSBNQZGQBVZOH-UHFFFAOYSA-N 2 1 243.354 2.276 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1nccc2ccccc21 ZINC000667055263 487917668 /nfs/dbraw/zinc/91/76/68/487917668.db2.gz AGSBNQZGQBVZOH-UHFFFAOYSA-N 2 1 243.354 2.276 20 0 BEADMP Oc1cccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666998347 487924617 /nfs/dbraw/zinc/92/46/17/487924617.db2.gz OQTITJBDVDFZRU-ZDUSSCGKSA-N 2 1 246.354 2.157 20 0 BEADMP C[C@@H](Cc1cccs1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000235154868 487925775 /nfs/dbraw/zinc/92/57/75/487925775.db2.gz JAHBPOIVHAGJCR-NWDGAFQWSA-N 2 1 238.400 2.411 20 0 BEADMP C[C@@H]1C[N@@H+](CCC(C)(C)C2CC2)CC[C@@H]1[NH3+] ZINC000382254338 487935226 /nfs/dbraw/zinc/93/52/26/487935226.db2.gz VVZDTUNYIIWSMK-YPMHNXCESA-N 2 1 224.392 2.482 20 0 BEADMP CCc1cc(N[C@H]2CC[N@H+](C3CC3)C2)cc[nH+]1 ZINC000307767734 487945060 /nfs/dbraw/zinc/94/50/60/487945060.db2.gz IIHYXTUWSNEOOR-ZDUSSCGKSA-N 2 1 231.343 2.293 20 0 BEADMP COCC[N@@H+](C)CCC[NH2+]C1CCC(C)CC1 ZINC000561359705 323000287 /nfs/dbraw/zinc/00/02/87/323000287.db2.gz CVIFGPXTZQDCPO-UHFFFAOYSA-N 2 1 242.407 2.123 20 0 BEADMP CC(C)CSCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000397441112 323009554 /nfs/dbraw/zinc/00/95/54/323009554.db2.gz ILMWXKRPEDMCLS-STQMWFEESA-N 2 1 244.448 2.496 20 0 BEADMP Cc1ccc(C[NH2+]C2CC(N(C)C)C2)cc1C ZINC000566805556 323016247 /nfs/dbraw/zinc/01/62/47/323016247.db2.gz INPCLALPSOFQAP-UHFFFAOYSA-N 2 1 232.371 2.486 20 0 BEADMP [NH3+]CC[N@@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000562328126 323016448 /nfs/dbraw/zinc/01/64/48/323016448.db2.gz LZBRLGFYXHUVEO-OAHLLOKOSA-N 2 1 232.371 2.432 20 0 BEADMP [NH3+]CC[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000562328126 323016449 /nfs/dbraw/zinc/01/64/49/323016449.db2.gz LZBRLGFYXHUVEO-OAHLLOKOSA-N 2 1 232.371 2.432 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(SC)CC2)[C@@H](C)C1 ZINC000248638380 323028489 /nfs/dbraw/zinc/02/84/89/323028489.db2.gz AUXBKSGEKVYTBZ-RYUDHWBXSA-N 2 1 242.432 2.202 20 0 BEADMP CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](C)OC ZINC000569897532 323043671 /nfs/dbraw/zinc/04/36/71/323043671.db2.gz PASRFZRZWZUBOW-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](C)OC ZINC000569897532 323043672 /nfs/dbraw/zinc/04/36/72/323043672.db2.gz PASRFZRZWZUBOW-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000394824369 323085692 /nfs/dbraw/zinc/08/56/92/323085692.db2.gz JEDMBDYJGQQACR-MQYQWHSLSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000394824367 323085701 /nfs/dbraw/zinc/08/57/01/323085701.db2.gz JEDMBDYJGQQACR-DGAVXFQQSA-N 2 1 222.376 2.106 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403531970 323097102 /nfs/dbraw/zinc/09/71/02/323097102.db2.gz OOCZUDJRMVYOSZ-FRRDWIJNSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cc1 ZINC000401766494 323120177 /nfs/dbraw/zinc/12/01/77/323120177.db2.gz GOEYBUVAQSRWOP-LLVKDONJSA-N 2 1 247.317 2.453 20 0 BEADMP C[C@H](CCc1ccco1)[NH2+]CCc1c[nH+]cn1C ZINC000401779995 323120888 /nfs/dbraw/zinc/12/08/88/323120888.db2.gz POEKJWHGHLZUMF-GFCCVEGCSA-N 2 1 247.342 2.167 20 0 BEADMP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)C[C@H](C)S1 ZINC000535469758 323173317 /nfs/dbraw/zinc/17/33/17/323173317.db2.gz VNOFLIJHDVSIMK-FRRDWIJNSA-N 2 1 242.432 2.297 20 0 BEADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@H](C)S1 ZINC000535469758 323173318 /nfs/dbraw/zinc/17/33/18/323173318.db2.gz VNOFLIJHDVSIMK-FRRDWIJNSA-N 2 1 242.432 2.297 20 0 BEADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)C[C@H](C)S1 ZINC000535469758 323173319 /nfs/dbraw/zinc/17/33/19/323173319.db2.gz VNOFLIJHDVSIMK-FRRDWIJNSA-N 2 1 242.432 2.297 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOC(C)(C)C ZINC000308722982 323177318 /nfs/dbraw/zinc/17/73/18/323177318.db2.gz FBDIXWRTDBIDFR-UPJWGTAASA-N 2 1 242.407 2.120 20 0 BEADMP C[N@@H+](CCCOCc1ccccc1)C1CC([NH3+])C1 ZINC000395117082 323187582 /nfs/dbraw/zinc/18/75/82/323187582.db2.gz VVDLTXCLQZCEJV-UHFFFAOYSA-N 2 1 248.370 2.015 20 0 BEADMP Cc1nc(C)c([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)s1 ZINC000399336155 323204254 /nfs/dbraw/zinc/20/42/54/323204254.db2.gz QBXZJZHAFNHRSM-HQJQHLMTSA-N 2 1 239.388 2.148 20 0 BEADMP Cc1nc(C)c([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)s1 ZINC000399336154 323204327 /nfs/dbraw/zinc/20/43/27/323204327.db2.gz QBXZJZHAFNHRSM-CPCISQLKSA-N 2 1 239.388 2.148 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000530213026 323216898 /nfs/dbraw/zinc/21/68/98/323216898.db2.gz UBKMNAROPOIBEH-RGDJUOJXSA-N 2 1 222.376 2.010 20 0 BEADMP C[NH+]1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC000309173014 323323486 /nfs/dbraw/zinc/32/34/86/323323486.db2.gz LUJFYQSVBDSMNY-UHFFFAOYSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000152472979 323336098 /nfs/dbraw/zinc/33/60/98/323336098.db2.gz CBAQYHSGINJPBW-WFASDCNBSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@H]1C[C@H]1C ZINC000321658951 323387143 /nfs/dbraw/zinc/38/71/43/323387143.db2.gz WLHQNWREKIFLDQ-UPJWGTAASA-N 2 1 224.392 2.495 20 0 BEADMP C[NH+](C)[C@@H](C[NH2+][C@H]1CCCC12CC2)C1CC1 ZINC000572379928 323613484 /nfs/dbraw/zinc/61/34/84/323613484.db2.gz ULHJCPHXDRQPOD-STQMWFEESA-N 2 1 222.376 2.249 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ncccc1F ZINC000530222130 324540084 /nfs/dbraw/zinc/54/00/84/324540084.db2.gz GSQQPVDQSXKNSJ-HBNTYKKESA-N 2 1 237.322 2.141 20 0 BEADMP C[N@@H+](CCC[NH+]1CCCC1)CC1(C)CC1 ZINC000545992573 325254716 /nfs/dbraw/zinc/25/47/16/325254716.db2.gz KDLVCBLEOVMAEL-UHFFFAOYSA-N 2 1 210.365 2.204 20 0 BEADMP CCSCC[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076002914 325325533 /nfs/dbraw/zinc/32/55/33/325325533.db2.gz UZJHEXOIRIRWQG-CYBMUJFWSA-N 2 1 244.448 2.403 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000547769861 325392040 /nfs/dbraw/zinc/39/20/40/325392040.db2.gz UQGAMNQTQFQKPM-XQQFMLRXSA-N 2 1 210.365 2.344 20 0 BEADMP C[C@@H]1C[C@H](C)[NH+]1CC[C@@H]1CCCC[N@@H+]1C ZINC000547769861 325392041 /nfs/dbraw/zinc/39/20/41/325392041.db2.gz UQGAMNQTQFQKPM-XQQFMLRXSA-N 2 1 210.365 2.344 20 0 BEADMP C[C@@H]1C[C@H](C)[NH+]1CC[C@@H]1CCCC[N@H+]1C ZINC000547769861 325392043 /nfs/dbraw/zinc/39/20/43/325392043.db2.gz UQGAMNQTQFQKPM-XQQFMLRXSA-N 2 1 210.365 2.344 20 0 BEADMP [NH3+][C@H](C[NH2+]Cc1ccnc2ccccc12)C1CC1 ZINC000566725669 326077048 /nfs/dbraw/zinc/07/70/48/326077048.db2.gz FWVDUDDKRKPWIA-CQSZACIVSA-N 2 1 241.338 2.062 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000309741976 326166848 /nfs/dbraw/zinc/16/68/48/326166848.db2.gz DMMKPZRCNOPSKV-NEPJUHHUSA-N 2 1 221.348 2.131 20 0 BEADMP C[C@H]1CCC[C@@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000309741980 326167011 /nfs/dbraw/zinc/16/70/11/326167011.db2.gz DMMKPZRCNOPSKV-NWDGAFQWSA-N 2 1 221.348 2.131 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C(C2CC2)C2CC2)CC[N@@H+]1C ZINC000156117412 326219221 /nfs/dbraw/zinc/21/92/21/326219221.db2.gz ARCGDFCDHIFVMB-MFKMUULPSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C(C2CC2)C2CC2)CC[N@H+]1C ZINC000156117412 326219223 /nfs/dbraw/zinc/21/92/23/326219223.db2.gz ARCGDFCDHIFVMB-MFKMUULPSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C(C2CC2)C2CC2)CC[N@@H+]1C ZINC000156117197 326219386 /nfs/dbraw/zinc/21/93/86/326219386.db2.gz ARCGDFCDHIFVMB-ZWNOBZJWSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C(C2CC2)C2CC2)CC[N@H+]1C ZINC000156117197 326219390 /nfs/dbraw/zinc/21/93/90/326219390.db2.gz ARCGDFCDHIFVMB-ZWNOBZJWSA-N 2 1 222.376 2.247 20 0 BEADMP COC[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000157897439 326299175 /nfs/dbraw/zinc/29/91/75/326299175.db2.gz TXPQUMGADNBVOA-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c(C)n1 ZINC000568996946 326385500 /nfs/dbraw/zinc/38/55/00/326385500.db2.gz NZBBDBVNQKFUNZ-RISCZKNCSA-N 2 1 233.359 2.010 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c(C)n1 ZINC000568996946 326385501 /nfs/dbraw/zinc/38/55/01/326385501.db2.gz NZBBDBVNQKFUNZ-RISCZKNCSA-N 2 1 233.359 2.010 20 0 BEADMP C1=C(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000401027253 488000150 /nfs/dbraw/zinc/00/01/50/488000150.db2.gz KOZRYILJPMTYTG-KGLIPLIRSA-N 2 1 220.360 2.313 20 0 BEADMP Cc1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)s1 ZINC000309636516 488004479 /nfs/dbraw/zinc/00/44/79/488004479.db2.gz MSMVTDNRZZZNEO-LLVKDONJSA-N 2 1 224.373 2.098 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424377034 533716480 /nfs/dbraw/zinc/71/64/80/533716480.db2.gz LPAQFAIXCILICM-JHJVBQTASA-N 2 1 222.376 2.106 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c(Cl)c1 ZINC000235887045 488028478 /nfs/dbraw/zinc/02/84/78/488028478.db2.gz QWHDSGCUVAMONU-LLVKDONJSA-N 2 1 238.762 2.429 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)c(Cl)c1 ZINC000235887045 488028485 /nfs/dbraw/zinc/02/84/85/488028485.db2.gz QWHDSGCUVAMONU-LLVKDONJSA-N 2 1 238.762 2.429 20 0 BEADMP FC1(F)CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000383941468 488032085 /nfs/dbraw/zinc/03/20/85/488032085.db2.gz FABOSPBEQOZXNJ-NSHDSACASA-N 2 1 244.329 2.391 20 0 BEADMP CC[C@H](C)[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667505280 488033297 /nfs/dbraw/zinc/03/32/97/488033297.db2.gz KHQJBBUQWGIJEL-LBPRGKRZSA-N 2 1 244.342 2.498 20 0 BEADMP C[C@H]([N@@H+](C)CC[C@@H]1CC[NH2+]C1)C(C)(C)C ZINC000084385448 488049962 /nfs/dbraw/zinc/04/99/62/488049962.db2.gz GTOFTBSJCQXCOL-RYUDHWBXSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]([N@@H+](C)CC[C@@H]1CC[NH2+]C1)C(C)(C)C ZINC000084385450 488049659 /nfs/dbraw/zinc/04/96/59/488049659.db2.gz GTOFTBSJCQXCOL-NEPJUHHUSA-N 2 1 212.381 2.352 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]C2CCCC2)CC1(C)C ZINC000084477026 488053867 /nfs/dbraw/zinc/05/38/67/488053867.db2.gz VVCSDTXYKGFAGZ-GFCCVEGCSA-N 2 1 210.365 2.391 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CCCC(C)C ZINC000663510262 488055074 /nfs/dbraw/zinc/05/50/74/488055074.db2.gz CTEBQZZIGQWHEI-VXGBXAGGSA-N 2 1 200.370 2.399 20 0 BEADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(O)cc1 ZINC000221783351 488059109 /nfs/dbraw/zinc/05/91/09/488059109.db2.gz DPTDNABRENMHJZ-UHFFFAOYSA-N 2 1 236.359 2.212 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(O)cc1 ZINC000221783351 488059114 /nfs/dbraw/zinc/05/91/14/488059114.db2.gz DPTDNABRENMHJZ-UHFFFAOYSA-N 2 1 236.359 2.212 20 0 BEADMP Cc1ncc(C[N@H+]2CC[C@@H](c3ccco3)C2)n1C ZINC000667618667 488060389 /nfs/dbraw/zinc/06/03/89/488060389.db2.gz DZSCSEKVZJPCCV-GFCCVEGCSA-N 2 1 245.326 2.311 20 0 BEADMP Cc1ncc(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)n1C ZINC000667649646 488073374 /nfs/dbraw/zinc/07/33/74/488073374.db2.gz ZPDPZCTXZTZVPH-MNOVXSKESA-N 2 1 221.348 2.206 20 0 BEADMP CCn1ccc(C[N@H+](C)CC[C@H]2CCC[NH+]2C)c1 ZINC000683029058 488100936 /nfs/dbraw/zinc/10/09/36/488100936.db2.gz IUEAPGZKWCDBKO-OAHLLOKOSA-N 2 1 249.402 2.424 20 0 BEADMP CCn1ccc(C[N@@H+](C)CC[C@H]2CCC[NH+]2C)c1 ZINC000683029058 488100939 /nfs/dbraw/zinc/10/09/39/488100939.db2.gz IUEAPGZKWCDBKO-OAHLLOKOSA-N 2 1 249.402 2.424 20 0 BEADMP CCn1ccc(C[NH+](C)CC[C@H]2CCC[N@@H+]2C)c1 ZINC000683029058 488100942 /nfs/dbraw/zinc/10/09/42/488100942.db2.gz IUEAPGZKWCDBKO-OAHLLOKOSA-N 2 1 249.402 2.424 20 0 BEADMP CCn1ccc(C[NH+](C)CC[C@H]2CCC[N@H+]2C)c1 ZINC000683029058 488100944 /nfs/dbraw/zinc/10/09/44/488100944.db2.gz IUEAPGZKWCDBKO-OAHLLOKOSA-N 2 1 249.402 2.424 20 0 BEADMP CCO[C@H]1CCC[N@H+](CCC[NH+](CC)CC)C1 ZINC000683140632 488118195 /nfs/dbraw/zinc/11/81/95/488118195.db2.gz DKBWBOAYWUZIQU-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP CCO[C@H]1CCC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000683140632 488118204 /nfs/dbraw/zinc/11/82/04/488118204.db2.gz DKBWBOAYWUZIQU-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403506643 488124759 /nfs/dbraw/zinc/12/47/59/488124759.db2.gz BAQZPTLXGCIHPS-MEBFFEOJSA-N 2 1 222.376 2.092 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000094528203 487539115 /nfs/dbraw/zinc/53/91/15/487539115.db2.gz BGSXLELWNBWRQN-GFCCVEGCSA-N 2 1 230.355 2.345 20 0 BEADMP CC[C@H](C[NH2+][C@@H](C)C[NH2+]C)c1ccccc1 ZINC000162108841 487539164 /nfs/dbraw/zinc/53/91/64/487539164.db2.gz OVJDIKIKMNPSDQ-QWHCGFSZSA-N 2 1 220.360 2.378 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000392789847 487555192 /nfs/dbraw/zinc/55/51/92/487555192.db2.gz DVNNCVLGFCPFEU-LBPRGKRZSA-N 2 1 224.392 2.354 20 0 BEADMP C([NH2+]C[C@@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000078845393 487487735 /nfs/dbraw/zinc/48/77/35/487487735.db2.gz LXHVWWXETDMGNW-ZDUSSCGKSA-N 2 1 210.365 2.298 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)c(C)n1 ZINC000678411269 488151732 /nfs/dbraw/zinc/15/17/32/488151732.db2.gz ABBSQFQTLHDPGD-GFCCVEGCSA-N 2 1 235.375 2.301 20 0 BEADMP C[N@@H+](CC1CC=CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662266372 490042917 /nfs/dbraw/zinc/04/29/17/490042917.db2.gz WZCHZYKRGFBQOP-PBWFPOADSA-N 2 1 220.360 2.167 20 0 BEADMP C([C@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000403752736 488135956 /nfs/dbraw/zinc/13/59/56/488135956.db2.gz PHIPXINHUVOMDZ-NPJQDHAYSA-N 2 1 248.414 2.354 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)c(C)n1 ZINC000678411282 488151671 /nfs/dbraw/zinc/15/16/71/488151671.db2.gz ABBSQFQTLHDPGD-LBPRGKRZSA-N 2 1 235.375 2.301 20 0 BEADMP Cc1[nH+]ccn1CC[NH+]1CCC2(CC2)CC1 ZINC000677988818 488168846 /nfs/dbraw/zinc/16/88/46/488168846.db2.gz VOLIMCJLZCPHFI-UHFFFAOYSA-N 2 1 219.332 2.068 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC(F)(F)C2)[C@H](C)C1 ZINC000679073691 488304455 /nfs/dbraw/zinc/30/44/55/488304455.db2.gz NFROUMNEVSRKOK-WOPDTQHZSA-N 2 1 246.345 2.494 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](C)CC(O)(CC)CC ZINC000679134496 488311771 /nfs/dbraw/zinc/31/17/71/488311771.db2.gz ZJORPIZYYRCYDN-UHFFFAOYSA-N 2 1 244.423 2.201 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+](C/C=C\c2ccccc2)C1 ZINC000214449407 490113387 /nfs/dbraw/zinc/11/33/87/490113387.db2.gz PNVHGPMKHOVKRV-GTBONMDNSA-N 2 1 230.355 2.241 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000214449407 490113394 /nfs/dbraw/zinc/11/33/94/490113394.db2.gz PNVHGPMKHOVKRV-GTBONMDNSA-N 2 1 230.355 2.241 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCC(OC)CC1 ZINC000130046367 490215027 /nfs/dbraw/zinc/21/50/27/490215027.db2.gz IOXQUIXFVWDXRQ-IYXRBSQSSA-N 2 1 242.407 2.264 20 0 BEADMP [NH3+][C@@H](C[NH2+]Cc1ccc(C2CC2)cc1)C1CC1 ZINC000414892608 490306200 /nfs/dbraw/zinc/30/62/00/490306200.db2.gz QFWOSULURFXAEH-HNNXBMFYSA-N 2 1 230.355 2.391 20 0 BEADMP C[NH+](C)CCC[NH2+]Cc1cc2ccccc2[nH]1 ZINC000124213737 490332237 /nfs/dbraw/zinc/33/22/37/490332237.db2.gz OYBUIZUPKUIWIN-UHFFFAOYSA-N 2 1 231.343 2.209 20 0 BEADMP Cc1cc(C)cc(C[N@H+](C)CC2CN(C)C2)c1 ZINC000668539819 490357798 /nfs/dbraw/zinc/35/77/98/490357798.db2.gz NHNVNJWTQRJAAU-UHFFFAOYSA-N 2 1 232.371 2.297 20 0 BEADMP CCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293304 491087496 /nfs/dbraw/zinc/08/74/96/491087496.db2.gz GIPJTHSLXNLLKU-ZDUSSCGKSA-N 2 1 210.365 2.108 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)C[NH+](CC)CC ZINC000309168666 491091462 /nfs/dbraw/zinc/09/14/62/491091462.db2.gz KFTNVWDBCXQEQF-XQQFMLRXSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]2C)C1 ZINC000228756333 491103103 /nfs/dbraw/zinc/10/31/03/491103103.db2.gz FNPKKXROKDRZFD-RWMBFGLXSA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]2C)C1 ZINC000228756333 491103104 /nfs/dbraw/zinc/10/31/04/491103104.db2.gz FNPKKXROKDRZFD-RWMBFGLXSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2Cc3ccccc32)CC[N@H+]1C ZINC000121596803 491106560 /nfs/dbraw/zinc/10/65/60/491106560.db2.gz UJPRUQVFDISSBM-SNPRPXQTSA-N 2 1 244.382 2.399 20 0 BEADMP C[C@@H](C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)C(C)(C)C ZINC000304311235 491109990 /nfs/dbraw/zinc/10/99/90/491109990.db2.gz QMSCXPASFUPQKU-RWMBFGLXSA-N 2 1 224.392 2.352 20 0 BEADMP Cc1c[nH+]ccc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000070047291 491117553 /nfs/dbraw/zinc/11/75/53/491117553.db2.gz VNDVFXAAEZWMMH-LLVKDONJSA-N 2 1 217.316 2.039 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]CC2(C)CCC2)CC1 ZINC000308965922 491141521 /nfs/dbraw/zinc/14/15/21/491141521.db2.gz VPGSPUOJXNXXMN-UHFFFAOYSA-N 2 1 208.349 2.028 20 0 BEADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]CCc1c[nH+]cn1C ZINC000401874800 533730532 /nfs/dbraw/zinc/73/05/32/533730532.db2.gz MTLSMVKPHNBLIG-VXGBXAGGSA-N 2 1 235.375 2.377 20 0 BEADMP CSC[C@H]1CCC[N@H+]1C[C@H]([NH3+])CC(C)C ZINC000400010307 533816152 /nfs/dbraw/zinc/81/61/52/533816152.db2.gz VLFZEFHMCMCZIZ-VXGBXAGGSA-N 2 1 230.421 2.187 20 0 BEADMP CC[C@@H](C)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000251798059 535512454 /nfs/dbraw/zinc/51/24/54/535512454.db2.gz KHIXURKDGLDEJI-OLZOCXBDSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H]([NH2+]CCc1ccsc1)[C@@H]1CCC[NH2+]1 ZINC000400495590 533874404 /nfs/dbraw/zinc/87/44/04/533874404.db2.gz FSGSIHGVLZJVQP-JQWIXIFHSA-N 2 1 224.373 2.021 20 0 BEADMP C[C@H]([NH2+]CCc1ccsc1)[C@H]1CCC[NH2+]1 ZINC000400495589 533875812 /nfs/dbraw/zinc/87/58/12/533875812.db2.gz FSGSIHGVLZJVQP-CMPLNLGQSA-N 2 1 224.373 2.021 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCCC2)[C@H](C)C1 ZINC000166861135 535768374 /nfs/dbraw/zinc/76/83/74/535768374.db2.gz BZYHWXRVAGGKKO-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP CCc1nc(NCC([NH3+])(CC)CC)cc(C)[nH+]1 ZINC000261548552 536126052 /nfs/dbraw/zinc/12/60/52/536126052.db2.gz JPTIFNOGYLVNTL-UHFFFAOYSA-N 2 1 236.363 2.277 20 0 BEADMP CCc1nc(NC[C@@H]2CCC[C@H]([NH3+])C2)cc(C)[nH+]1 ZINC000261585866 536126905 /nfs/dbraw/zinc/12/69/05/536126905.db2.gz UABYPYVSTOBLAI-NEPJUHHUSA-N 2 1 248.374 2.277 20 0 BEADMP C[C@H]1C[C@H](C)[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000892105238 582792530 /nfs/dbraw/zinc/79/25/30/582792530.db2.gz XSWFJTQSIBHGRP-RYUDHWBXSA-N 2 1 210.365 2.059 20 0 BEADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@@]1(C)C[NH3+] ZINC000309061066 534460471 /nfs/dbraw/zinc/46/04/71/534460471.db2.gz VWVLUDIHKVIXLQ-DGCLKSJQSA-N 2 1 212.381 2.339 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](C2CC2)C1 ZINC000348072805 536389980 /nfs/dbraw/zinc/38/99/80/536389980.db2.gz KVDDBXDTMMDJRG-KBPBESRZSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](C2CC2)C1 ZINC000348072805 536389982 /nfs/dbraw/zinc/38/99/82/536389982.db2.gz KVDDBXDTMMDJRG-KBPBESRZSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](C2CC2)C1 ZINC000348072805 536389985 /nfs/dbraw/zinc/38/99/85/536389985.db2.gz KVDDBXDTMMDJRG-KBPBESRZSA-N 2 1 222.376 2.203 20 0 BEADMP CC(C)CC[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000414929480 527844648 /nfs/dbraw/zinc/84/46/48/527844648.db2.gz NYUJBOPHJMTHRI-AGIUHOORSA-N 2 1 212.381 2.399 20 0 BEADMP CC[NH+](CC)CCC[NH2+]C/C=C\c1ccncc1 ZINC000486924689 528111693 /nfs/dbraw/zinc/11/16/93/528111693.db2.gz DKGQYTMNPOHUOX-ALCCZGGFSA-N 2 1 247.386 2.416 20 0 BEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2C)C1 ZINC000488351660 528175697 /nfs/dbraw/zinc/17/56/97/528175697.db2.gz FSKVYUXDQYLKJT-RDBSUJKOSA-N 2 1 224.392 2.306 20 0 BEADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCSC2)CC1 ZINC000495093093 528972085 /nfs/dbraw/zinc/97/20/85/528972085.db2.gz JZIRLHHZFGXPQC-LBPRGKRZSA-N 2 1 242.432 2.156 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCSC2)CC1 ZINC000495093093 528972093 /nfs/dbraw/zinc/97/20/93/528972093.db2.gz JZIRLHHZFGXPQC-LBPRGKRZSA-N 2 1 242.432 2.156 20 0 BEADMP CCC[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261699300 534963778 /nfs/dbraw/zinc/96/37/78/534963778.db2.gz JPJCFAUAVGAMAI-KGLIPLIRSA-N 2 1 218.344 2.071 20 0 BEADMP CC(C)(C)[C@@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262110973 535074768 /nfs/dbraw/zinc/07/47/68/535074768.db2.gz WKHVMTRERXNDMK-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccccc1 ZINC000034415418 535306847 /nfs/dbraw/zinc/30/68/47/535306847.db2.gz BWRKSBCTUZLIJJ-CYBMUJFWSA-N 2 1 206.333 2.150 20 0 BEADMP CC(C)C[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261812443 535327384 /nfs/dbraw/zinc/32/73/84/535327384.db2.gz RQCCKTWESOLVSL-CQSZACIVSA-N 2 1 224.392 2.497 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000227202129 535590137 /nfs/dbraw/zinc/59/01/37/535590137.db2.gz UKNNFNSXEOVPDB-AGIUHOORSA-N 2 1 212.381 2.495 20 0 BEADMP CCC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226867026 535614600 /nfs/dbraw/zinc/61/46/00/535614600.db2.gz ZAJNUGLUQJHGEL-AVGNSLFASA-N 2 1 212.381 2.495 20 0 BEADMP CC[N@@H+](CC1CC1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261536035 535698054 /nfs/dbraw/zinc/69/80/54/535698054.db2.gz QEDHLTREQHCBGO-YPMHNXCESA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC000251451816 535902401 /nfs/dbraw/zinc/90/24/01/535902401.db2.gz ACOZWPOTZYBXTO-IGQOVBAYSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC000251451816 535902404 /nfs/dbraw/zinc/90/24/04/535902404.db2.gz ACOZWPOTZYBXTO-IGQOVBAYSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@@]1(C)CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261557553 536048222 /nfs/dbraw/zinc/04/82/22/536048222.db2.gz XKGPJDLZNUOWIV-QWHCGFSZSA-N 2 1 210.365 2.108 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1ccc(Cl)c(F)c1 ZINC000227745369 536342956 /nfs/dbraw/zinc/34/29/56/536342956.db2.gz QCSPJEFOEAVUEH-UHFFFAOYSA-N 2 1 230.714 2.260 20 0 BEADMP C[N@H+](CCC[NH3+])Cc1ccc(Cl)c(F)c1 ZINC000227745369 536342954 /nfs/dbraw/zinc/34/29/54/536342954.db2.gz QCSPJEFOEAVUEH-UHFFFAOYSA-N 2 1 230.714 2.260 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000348204968 536370958 /nfs/dbraw/zinc/37/09/58/536370958.db2.gz VZRTUGDZVJDDRO-UPJWGTAASA-N 2 1 222.376 2.059 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000348204968 536370959 /nfs/dbraw/zinc/37/09/59/536370959.db2.gz VZRTUGDZVJDDRO-UPJWGTAASA-N 2 1 222.376 2.059 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000348204968 536370961 /nfs/dbraw/zinc/37/09/61/536370961.db2.gz VZRTUGDZVJDDRO-UPJWGTAASA-N 2 1 222.376 2.059 20 0 BEADMP C([NH2+][C@H]1CC[C@@H]1C1CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000348072192 566261408 /nfs/dbraw/zinc/26/14/08/566261408.db2.gz ABIZOJKEJDVDJJ-GLQYFDAESA-N 2 1 234.387 2.249 20 0 BEADMP CCCSC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000892946695 583015309 /nfs/dbraw/zinc/01/53/09/583015309.db2.gz KTVTYQGNBKVFRE-QWHCGFSZSA-N 2 1 244.448 2.450 20 0 BEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1C=CCC1 ZINC000854221600 588780338 /nfs/dbraw/zinc/78/03/38/588780338.db2.gz PUHKGNZNWPCKQF-CFVMTHIKSA-N 2 1 230.355 2.253 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000348089611 582495926 /nfs/dbraw/zinc/49/59/26/582495926.db2.gz UBUDWFOKDOFFKN-YUELXQCFSA-N 2 1 236.403 2.497 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000348089610 582495938 /nfs/dbraw/zinc/49/59/38/582495938.db2.gz UBUDWFOKDOFFKN-VHDGCEQUSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC000892066936 582782905 /nfs/dbraw/zinc/78/29/05/582782905.db2.gz ZRLYIJGNCUPQJM-STQMWFEESA-N 2 1 224.392 2.306 20 0 BEADMP CC[C@@H]1C[C@@H](C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000892068941 582784501 /nfs/dbraw/zinc/78/45/01/582784501.db2.gz WPFSVMAEUONXSZ-TZMCWYRMSA-N 2 1 224.392 2.449 20 0 BEADMP Cc1noc(C)c1[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000092339352 582855746 /nfs/dbraw/zinc/85/57/46/582855746.db2.gz NXXCKWMMBZSXOZ-SECBINFHSA-N 2 1 248.330 2.147 20 0 BEADMP CC(C)[C@H]1CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000892403614 582877512 /nfs/dbraw/zinc/87/75/12/582877512.db2.gz OPIYXLDEFYFKJW-CYBMUJFWSA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@@H]1[C@H](C)CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000893674302 583193637 /nfs/dbraw/zinc/19/36/37/583193637.db2.gz YUNFREATYGOHLA-TZMCWYRMSA-N 2 1 224.392 2.449 20 0 BEADMP CCCCCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000857086987 588887106 /nfs/dbraw/zinc/88/71/06/588887106.db2.gz OZSAIIDWCOHLON-STQMWFEESA-N 2 1 210.365 2.380 20 0 BEADMP C[NH+](C)CCc1ccc(NCc2cnc[nH]2)cc1 ZINC000894122748 583312040 /nfs/dbraw/zinc/31/20/40/583312040.db2.gz NQRRPKXLYIYURA-UHFFFAOYSA-N 2 1 244.342 2.126 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CCC[C@@](C)(F)C2)CC1 ZINC000894659281 583504397 /nfs/dbraw/zinc/50/43/97/583504397.db2.gz QAWJSFSKNCCWMV-CYBMUJFWSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000894722039 583514549 /nfs/dbraw/zinc/51/45/49/583514549.db2.gz HPHIPUKTJULXPK-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP C(=C/c1ccccc1)\CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000323665572 583532519 /nfs/dbraw/zinc/53/25/19/583532519.db2.gz DMKRXWINOLZRMX-POTOTVBWSA-N 2 1 242.366 2.241 20 0 BEADMP C[C@@H](CC[NH2+]Cc1cc2cccnc2o1)[NH+](C)C ZINC000895294644 583638491 /nfs/dbraw/zinc/63/84/91/583638491.db2.gz YVIKKBYOEZHBCB-NSHDSACASA-N 2 1 247.342 2.258 20 0 BEADMP CCO[C@@H](C[NH2+][C@@H]1CC=C(C)CC1)C[NH+](C)C ZINC000896879971 583845147 /nfs/dbraw/zinc/84/51/47/583845147.db2.gz JUQXUIZOIXBFHT-KGLIPLIRSA-N 2 1 240.391 2.042 20 0 BEADMP CCO[C@H](C[NH2+]C[C@@H](C)C(C)(C)C)C[NH+](C)C ZINC000896880214 583845370 /nfs/dbraw/zinc/84/53/70/583845370.db2.gz QXASNQUXAFAMMK-CHWSQXEVSA-N 2 1 244.423 2.225 20 0 BEADMP Cl/C=C/CN1CCC[C@@H](n2ccnc2)C1 ZINC000729932030 584030382 /nfs/dbraw/zinc/03/03/82/584030382.db2.gz SXKNIFONDUNLMI-JRBALWBOSA-N 2 1 225.723 2.273 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cncc2ccccc21 ZINC000841031674 584031103 /nfs/dbraw/zinc/03/11/03/584031103.db2.gz VEEPIWHZTGMRKZ-OAHLLOKOSA-N 2 1 243.354 2.308 20 0 BEADMP C[N@H+]1C[C@@H]2C[NH+](CC3(C)CCCC3)C[C@]2(C)C1 ZINC000897620367 584032598 /nfs/dbraw/zinc/03/25/98/584032598.db2.gz NXGGCIYJCBUZTG-HIFRSBDPSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+](CC3(C)CCCC3)C[C@]2(C)C1 ZINC000897620367 584032601 /nfs/dbraw/zinc/03/26/01/584032601.db2.gz NXGGCIYJCBUZTG-HIFRSBDPSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](CC3(C)CCCC3)C[C@]2(C)C1 ZINC000897620367 584032602 /nfs/dbraw/zinc/03/26/02/584032602.db2.gz NXGGCIYJCBUZTG-HIFRSBDPSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1CCC([NH2+]CC[C@@H]2CCC(F)(F)C2)CC1 ZINC000898018004 584075421 /nfs/dbraw/zinc/07/54/21/584075421.db2.gz WRAFHDQDTOSSTH-NSHDSACASA-N 2 1 246.345 2.496 20 0 BEADMP CC(C)C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC000898308263 584109631 /nfs/dbraw/zinc/10/96/31/584109631.db2.gz VNNVATTYWVVIDF-UHFFFAOYSA-N 2 1 200.370 2.162 20 0 BEADMP C(CC1CC1)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000866666083 584121632 /nfs/dbraw/zinc/12/16/32/584121632.db2.gz NFJZEHRPFQNKHD-CABCVRRESA-N 2 1 236.403 2.498 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000902399706 584585907 /nfs/dbraw/zinc/58/59/07/584585907.db2.gz VUBJJEAYGUBORL-LBPRGKRZSA-N 2 1 236.359 2.456 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]CC2([NH3+])CC2)c(C)c1 ZINC000902416194 584590218 /nfs/dbraw/zinc/59/02/18/584590218.db2.gz UDOLPWRHEUXFJE-GFCCVEGCSA-N 2 1 218.344 2.445 20 0 BEADMP [NH3+]C1(C[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000902415878 584590250 /nfs/dbraw/zinc/59/02/50/584590250.db2.gz LRLWPHOTNUJQRO-LBPRGKRZSA-N 2 1 236.746 2.408 20 0 BEADMP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC1([NH3+])CC1 ZINC000902416277 584590440 /nfs/dbraw/zinc/59/04/40/584590440.db2.gz MLUMKHRMPTWXLJ-WDEREUQCSA-N 2 1 210.365 2.282 20 0 BEADMP [NH3+]C1(C[NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000902416339 584590664 /nfs/dbraw/zinc/59/06/64/584590664.db2.gz NAZARGGPRCXOEQ-LBPRGKRZSA-N 2 1 236.746 2.408 20 0 BEADMP Cc1cc(C)cc([C@@H](C)[NH2+]CC2([NH3+])CC2)c1 ZINC000902416898 584591152 /nfs/dbraw/zinc/59/11/52/584591152.db2.gz PDBIRKDJMVILEZ-GFCCVEGCSA-N 2 1 218.344 2.445 20 0 BEADMP Cc1ccc(CC[C@@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902417549 584591336 /nfs/dbraw/zinc/59/13/36/584591336.db2.gz SQQCRVZHPWPUIV-CYBMUJFWSA-N 2 1 232.371 2.397 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)C1CC1 ZINC000902432198 584595250 /nfs/dbraw/zinc/59/52/50/584595250.db2.gz OGXITIPAILNLEG-PWSUYJOCSA-N 2 1 210.365 2.010 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)C1CC1 ZINC000902432262 584595674 /nfs/dbraw/zinc/59/56/74/584595674.db2.gz PFMXRCLYDVDATA-JQWIXIFHSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H](Cc1cccs1)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902443154 584598374 /nfs/dbraw/zinc/59/83/74/584598374.db2.gz DGLFVRNDYQLTER-JQWIXIFHSA-N 2 1 238.400 2.267 20 0 BEADMP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000902444422 584599206 /nfs/dbraw/zinc/59/92/06/584599206.db2.gz NLDMGOPEFXZCDB-NEPJUHHUSA-N 2 1 222.376 2.297 20 0 BEADMP C[C@@H](CCc1ccco1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902472662 584601196 /nfs/dbraw/zinc/60/11/96/584601196.db2.gz DOLCYTSXFBFOEZ-UZGDPCLZSA-N 2 1 234.343 2.083 20 0 BEADMP C[C@@H](Cc1ccsc1)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902448454 584605801 /nfs/dbraw/zinc/60/58/01/584605801.db2.gz FVPZJEXNQGKRSS-CMPLNLGQSA-N 2 1 238.400 2.267 20 0 BEADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902464591 584613271 /nfs/dbraw/zinc/61/32/71/584613271.db2.gz AORHWIFDRGYLID-QKPAOTATSA-N 2 1 244.382 2.490 20 0 BEADMP C([NH2+][C@@H]1CCCSC1)[C@H]1CCCCC[NH2+]1 ZINC000902485284 584624989 /nfs/dbraw/zinc/62/49/89/584624989.db2.gz ZEHYHNRAOHIGHT-VXGBXAGGSA-N 2 1 228.405 2.004 20 0 BEADMP CC1(C)[C@H]([NH2+]C/C=C\Cl)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902520586 584631500 /nfs/dbraw/zinc/63/15/00/584631500.db2.gz PJFFCGSURMFGBR-CMFHHEJOSA-N 2 1 228.767 2.105 20 0 BEADMP CNc1ccc(C)cc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000902571278 584636440 /nfs/dbraw/zinc/63/64/40/584636440.db2.gz HDBOZKJEBABAEV-CYBMUJFWSA-N 2 1 249.402 2.324 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902957538 584705804 /nfs/dbraw/zinc/70/58/04/584705804.db2.gz KEYOSOWOZRBNFU-RYUDHWBXSA-N 2 1 233.359 2.131 20 0 BEADMP C[C@H](C[NH2+][C@@H](c1ccccn1)C1CC1)C[NH+](C)C ZINC000903174931 584732498 /nfs/dbraw/zinc/73/24/98/584732498.db2.gz PJNPXTLUDZJRIQ-IUODEOHRSA-N 2 1 247.386 2.320 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCCc1ccccc1 ZINC000903431157 584761488 /nfs/dbraw/zinc/76/14/88/584761488.db2.gz FPXAXJMMMDVUFZ-ZBFHGGJFSA-N 2 1 246.398 2.407 20 0 BEADMP C[C@H](C1CC1)[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000903431060 584761599 /nfs/dbraw/zinc/76/15/99/584761599.db2.gz KYQNNFWPUZEMLD-WZRBSPASSA-N 2 1 222.376 2.377 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C1CC1)C1CCCC1 ZINC000903431449 584761952 /nfs/dbraw/zinc/76/19/52/584761952.db2.gz OUDUZUMAAPTRTM-NEPJUHHUSA-N 2 1 222.376 2.249 20 0 BEADMP COCC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CCCC1 ZINC000903435386 584762340 /nfs/dbraw/zinc/76/23/40/584762340.db2.gz RLNZIALSXUMCTC-OLZOCXBDSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000903439074 584762798 /nfs/dbraw/zinc/76/27/98/584762798.db2.gz CLSZDBGCMWJJHR-OSAQELSMSA-N 2 1 248.345 2.428 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000903439074 584762799 /nfs/dbraw/zinc/76/27/99/584762799.db2.gz CLSZDBGCMWJJHR-OSAQELSMSA-N 2 1 248.345 2.428 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H](C)CCC[C@H]1C ZINC000903440168 584763410 /nfs/dbraw/zinc/76/34/10/584763410.db2.gz VIHVLHLIIJHKFT-DGAVXFQQSA-N 2 1 224.392 2.352 20 0 BEADMP CCSCC[C@@H](C)[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903441413 584763498 /nfs/dbraw/zinc/76/34/98/584763498.db2.gz QWGKRZKOXYSPFB-UPJWGTAASA-N 2 1 244.448 2.305 20 0 BEADMP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903422070 584764067 /nfs/dbraw/zinc/76/40/67/584764067.db2.gz VJUUJTFBEUIFRT-WISYIIOYSA-N 2 1 244.329 2.091 20 0 BEADMP [NH3+]C[C@H]1CCCC[N@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903422070 584764068 /nfs/dbraw/zinc/76/40/68/584764068.db2.gz VJUUJTFBEUIFRT-WISYIIOYSA-N 2 1 244.329 2.091 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903447136 584770908 /nfs/dbraw/zinc/77/09/08/584770908.db2.gz GOFGYSHYKISOQK-BXUZGUMPSA-N 2 1 243.354 2.337 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2c2cccnc2)C1 ZINC000903454438 584773462 /nfs/dbraw/zinc/77/34/62/584773462.db2.gz CBZSBCUYMLQFMF-NWANDNLSSA-N 2 1 245.370 2.346 20 0 BEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903455498 584774070 /nfs/dbraw/zinc/77/40/70/584774070.db2.gz WXODGAKPHPKEJO-LMLFDSFASA-N 2 1 246.345 2.241 20 0 BEADMP C[C@@H]1CCC(C)(C)[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903482860 584778503 /nfs/dbraw/zinc/77/85/03/584778503.db2.gz WEFHDMZNWCXEEV-UTUOFQBUSA-N 2 1 210.365 2.377 20 0 BEADMP CCSCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903484785 584779504 /nfs/dbraw/zinc/77/95/04/584779504.db2.gz FEVRVYUPTAZBIV-LLVKDONJSA-N 2 1 228.405 2.004 20 0 BEADMP CCCC[N@@H+](CCOC)C[C@H]1CCCC[NH2+]C1 ZINC000903729707 584792977 /nfs/dbraw/zinc/79/29/77/584792977.db2.gz QWPUYEXSNHXPGO-AWEZNQCLSA-N 2 1 242.407 2.125 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccccc2CF)CC[C@@H]1[NH3+] ZINC000903716019 584794097 /nfs/dbraw/zinc/79/40/97/584794097.db2.gz GCIMUIGWBYCARK-FZMZJTMJSA-N 2 1 236.334 2.325 20 0 BEADMP CC1CC(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000903743089 584796618 /nfs/dbraw/zinc/79/66/18/584796618.db2.gz IEPBWOKAWSQDSP-TYCJUYHCSA-N 2 1 222.376 2.092 20 0 BEADMP NC[C@@]12CC[C@H]1CCC[N@H+]2CCc1ccccc1 ZINC000903795031 584798935 /nfs/dbraw/zinc/79/89/35/584798935.db2.gz HXXZJBYKJVMXCS-CVEARBPZSA-N 2 1 244.382 2.432 20 0 BEADMP [NH3+]C[C@@]12CC[C@H]1CCC[N@H+]2CCc1ccccc1 ZINC000903795031 584798938 /nfs/dbraw/zinc/79/89/38/584798938.db2.gz HXXZJBYKJVMXCS-CVEARBPZSA-N 2 1 244.382 2.432 20 0 BEADMP CC1CC(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000903784707 584800077 /nfs/dbraw/zinc/80/00/77/584800077.db2.gz QKMZQPXVPJJZLW-NRXISQOPSA-N 2 1 236.403 2.498 20 0 BEADMP Cc1cccc(C)c1C[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000903827476 584805051 /nfs/dbraw/zinc/80/50/51/584805051.db2.gz UFPFDNVVNQVVHT-AWEZNQCLSA-N 2 1 232.371 2.345 20 0 BEADMP C[C@H]1CSCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000903829232 584805845 /nfs/dbraw/zinc/80/58/45/584805845.db2.gz CLCZCZXQNJLULC-STQMWFEESA-N 2 1 242.432 2.204 20 0 BEADMP C[C@@H]1CSCCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903831607 584806051 /nfs/dbraw/zinc/80/60/51/584806051.db2.gz KXEYVSFJAQSKQP-OLZOCXBDSA-N 2 1 242.432 2.204 20 0 BEADMP FCCC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCC[NH2+]1 ZINC000903831894 584806248 /nfs/dbraw/zinc/80/62/48/584806248.db2.gz MXBQSKMUWVJLID-CPIKKWJDSA-N 2 1 240.366 2.341 20 0 BEADMP FCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCC[NH2+]1 ZINC000903831894 584806249 /nfs/dbraw/zinc/80/62/49/584806249.db2.gz MXBQSKMUWVJLID-CPIKKWJDSA-N 2 1 240.366 2.341 20 0 BEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1CF)C2 ZINC000903840971 584807038 /nfs/dbraw/zinc/80/70/38/584807038.db2.gz VLZTWAXMFRAQPU-GLQYFDAESA-N 2 1 248.345 2.468 20 0 BEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CC1CCCCC1 ZINC000903855293 584808700 /nfs/dbraw/zinc/80/87/00/584808700.db2.gz NSCQBAJTEZPAMR-KBPBESRZSA-N 2 1 222.376 2.380 20 0 BEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CC1CCCCC1 ZINC000903855293 584808701 /nfs/dbraw/zinc/80/87/01/584808701.db2.gz NSCQBAJTEZPAMR-KBPBESRZSA-N 2 1 222.376 2.380 20 0 BEADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCC1CCCC1 ZINC000903856897 584810207 /nfs/dbraw/zinc/81/02/07/584810207.db2.gz SJXYRTFCBFRTBN-UONOGXRCSA-N 2 1 222.376 2.380 20 0 BEADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCC1CCCC1 ZINC000903856897 584810208 /nfs/dbraw/zinc/81/02/08/584810208.db2.gz SJXYRTFCBFRTBN-UONOGXRCSA-N 2 1 222.376 2.380 20 0 BEADMP CCC(CC)C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903860634 584811724 /nfs/dbraw/zinc/81/17/24/584811724.db2.gz SMHIZBBCJQWRMR-CHWSQXEVSA-N 2 1 210.365 2.236 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903860634 584811725 /nfs/dbraw/zinc/81/17/25/584811725.db2.gz SMHIZBBCJQWRMR-CHWSQXEVSA-N 2 1 210.365 2.236 20 0 BEADMP C(CC1CC1)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903870629 584814290 /nfs/dbraw/zinc/81/42/90/584814290.db2.gz OSKFXDXYYYCSDG-ZDUSSCGKSA-N 2 1 208.349 2.005 20 0 BEADMP C(CC1CC1)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903870629 584814291 /nfs/dbraw/zinc/81/42/91/584814291.db2.gz OSKFXDXYYYCSDG-ZDUSSCGKSA-N 2 1 208.349 2.005 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869172 584814340 /nfs/dbraw/zinc/81/43/40/584814340.db2.gz CXJNFWPPCHVEPI-DGCLKSJQSA-N 2 1 246.345 2.496 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869172 584814341 /nfs/dbraw/zinc/81/43/41/584814341.db2.gz CXJNFWPPCHVEPI-DGCLKSJQSA-N 2 1 246.345 2.496 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903871435 584815149 /nfs/dbraw/zinc/81/51/49/584815149.db2.gz UNDNXJWGVGCXSX-KBXIAJHMSA-N 2 1 234.387 2.251 20 0 BEADMP C[C@@]1(C2CC2)COCC[N@H+]1CCCCCC[NH3+] ZINC000903883661 584818377 /nfs/dbraw/zinc/81/83/77/584818377.db2.gz ZBEGIYANTBHGCQ-AWEZNQCLSA-N 2 1 240.391 2.006 20 0 BEADMP C[C@@H]1CC[C@]2(CC[N@H+](C[C@@H]([NH3+])CC(F)F)C2)C1 ZINC000903903573 584821097 /nfs/dbraw/zinc/82/10/97/584821097.db2.gz VWLPCKNEXVLGIH-MDZLAQPJSA-N 2 1 246.345 2.481 20 0 BEADMP C[C@@H]1CC[C@]2(CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C2)C1 ZINC000903903573 584821099 /nfs/dbraw/zinc/82/10/99/584821099.db2.gz VWLPCKNEXVLGIH-MDZLAQPJSA-N 2 1 246.345 2.481 20 0 BEADMP Cc1cc(C[NH2+]C[C@@H]([NH3+])CC(F)F)ccc1F ZINC000903923203 584823514 /nfs/dbraw/zinc/82/35/14/584823514.db2.gz NRKPFIUFFPDVEA-JTQLQIEISA-N 2 1 246.276 2.206 20 0 BEADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903922849 584823585 /nfs/dbraw/zinc/82/35/85/584823585.db2.gz GFLKKSBUFZCHMN-KXUCPTDWSA-N 2 1 220.307 2.137 20 0 BEADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903922851 584823687 /nfs/dbraw/zinc/82/36/87/584823687.db2.gz GFLKKSBUFZCHMN-UTLUCORTSA-N 2 1 220.307 2.137 20 0 BEADMP C[C@H]1CC(C)(C)C[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903929184 584824099 /nfs/dbraw/zinc/82/40/99/584824099.db2.gz BMZXJIGGAGSABT-IUCAKERBSA-N 2 1 220.307 2.089 20 0 BEADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000903929152 584824259 /nfs/dbraw/zinc/82/42/59/584824259.db2.gz AZYCGOWJADZVPY-GHMZBOCLSA-N 2 1 232.318 2.091 20 0 BEADMP C[C@@H](C[NH2+][C@@H]1C[NH2+]C[C@H]1C)Cc1ccccc1 ZINC000903964414 584833893 /nfs/dbraw/zinc/83/38/93/584833893.db2.gz PUNJSQHBLVPEIA-UMVBOHGHSA-N 2 1 232.371 2.063 20 0 BEADMP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@H](C)c1ccccc1 ZINC000903965082 584834552 /nfs/dbraw/zinc/83/45/52/584834552.db2.gz ZOHQEOHGKYFVPN-QVHKTLOISA-N 2 1 232.371 2.376 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[NH2+]C(C)(C)/C=C/Cl ZINC000903987408 584836140 /nfs/dbraw/zinc/83/61/40/584836140.db2.gz GBHTVTLBOOAZRT-BRAIEQGRSA-N 2 1 218.772 2.481 20 0 BEADMP COCCC[N@H+](C)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904314444 584863183 /nfs/dbraw/zinc/86/31/83/584863183.db2.gz XIZQESIFRWHMKE-LBPRGKRZSA-N 2 1 230.396 2.108 20 0 BEADMP COCCC[N@@H+](C)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904314444 584863184 /nfs/dbraw/zinc/86/31/84/584863184.db2.gz XIZQESIFRWHMKE-LBPRGKRZSA-N 2 1 230.396 2.108 20 0 BEADMP C[C@@H](C[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000904316553 584863334 /nfs/dbraw/zinc/86/33/34/584863334.db2.gz PRKMZBGTBHSTBQ-KCQAQPDRSA-N 2 1 232.371 2.459 20 0 BEADMP COCCC[N@H+](C)C[C@H]([NH3+])CCC(C)(C)C ZINC000904314443 584863462 /nfs/dbraw/zinc/86/34/62/584863462.db2.gz XIZQESIFRWHMKE-GFCCVEGCSA-N 2 1 230.396 2.108 20 0 BEADMP COCCC[N@@H+](C)C[C@H]([NH3+])CCC(C)(C)C ZINC000904314443 584863464 /nfs/dbraw/zinc/86/34/64/584863464.db2.gz XIZQESIFRWHMKE-GFCCVEGCSA-N 2 1 230.396 2.108 20 0 BEADMP C[C@H]1c2ccccc2CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904317167 584863794 /nfs/dbraw/zinc/86/37/94/584863794.db2.gz CUIXBLSIQSFCJW-SGMGOOAPSA-N 2 1 230.355 2.343 20 0 BEADMP CCCC[N@@H+](CCOC)C[C@@]1(C)CCC[NH2+]C1 ZINC000904321529 584863867 /nfs/dbraw/zinc/86/38/67/584863867.db2.gz ZNWXRYJKAYFZGQ-AWEZNQCLSA-N 2 1 242.407 2.125 20 0 BEADMP CCCO[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904320045 584863918 /nfs/dbraw/zinc/86/39/18/584863918.db2.gz BUGHFMUWJDRJHT-HZSPNIEDSA-N 2 1 240.391 2.005 20 0 BEADMP CCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1CCCCO1 ZINC000904318551 584864197 /nfs/dbraw/zinc/86/41/97/584864197.db2.gz SAGBJALZAYLLCJ-MJBXVCDLSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904321322 584864205 /nfs/dbraw/zinc/86/42/05/584864205.db2.gz WKZXERGMKPHTTR-POQQGIQPSA-N 2 1 222.376 2.377 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCS[C@@H]3CCCC[C@H]32)C1 ZINC000904324223 584864777 /nfs/dbraw/zinc/86/47/77/584864777.db2.gz FRHGMWYGPUUNJQ-YVECIDJPSA-N 2 1 240.416 2.084 20 0 BEADMP CCSCC[C@H](C)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904327010 584865252 /nfs/dbraw/zinc/86/52/52/584865252.db2.gz WSHBILUMXCZOJZ-SDDRHHMPSA-N 2 1 230.421 2.187 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[NH2+]c2ccc3c(c2)CCCN3)C1 ZINC000904354470 584870398 /nfs/dbraw/zinc/87/03/98/584870398.db2.gz ZISJSWRPSYKBKL-KLPPZKSPSA-N 2 1 231.343 2.194 20 0 BEADMP C[C@]1(C[N@H+]2CC[C@@H](C3CCC3)C2)CCC[NH2+]C1 ZINC000904372692 584873770 /nfs/dbraw/zinc/87/37/70/584873770.db2.gz GRIGVQYNELRCEF-CABCVRRESA-N 2 1 236.403 2.498 20 0 BEADMP C[C@@H]1CC(C)(C)C[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000904372359 584873902 /nfs/dbraw/zinc/87/39/02/584873902.db2.gz CBIVBUCLUMQUHB-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)Cc2ccccc21 ZINC000904383808 584877180 /nfs/dbraw/zinc/87/71/80/584877180.db2.gz DXMXDHYKGPHWPQ-BZPMIXESSA-N 2 1 230.355 2.343 20 0 BEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CC[C@H](CF)C1 ZINC000904386409 584877735 /nfs/dbraw/zinc/87/77/35/584877735.db2.gz YWBQMXNMVIJKPH-VXGBXAGGSA-N 2 1 230.371 2.431 20 0 BEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CC[C@H](CF)C1 ZINC000904386409 584877736 /nfs/dbraw/zinc/87/77/36/584877736.db2.gz YWBQMXNMVIJKPH-VXGBXAGGSA-N 2 1 230.371 2.431 20 0 BEADMP COc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)ccc1C ZINC000904405798 584878566 /nfs/dbraw/zinc/87/85/66/584878566.db2.gz PTGLIRBYROJIRX-ZDUSSCGKSA-N 2 1 248.370 2.174 20 0 BEADMP C[C@H]1C[N@@H+](CC2(C)CCC2)CC[C@H]1C[NH3+] ZINC000904409386 584879313 /nfs/dbraw/zinc/87/93/13/584879313.db2.gz ASWKSAOBKIMVPI-RYUDHWBXSA-N 2 1 210.365 2.093 20 0 BEADMP C(=C/c1ccccc1)\C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420664 584881843 /nfs/dbraw/zinc/88/18/43/584881843.db2.gz DCGNNVGEXMVEBG-YOSLTCIPSA-N 2 1 242.366 2.241 20 0 BEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccoc2)C1 ZINC000839182662 585096714 /nfs/dbraw/zinc/09/67/14/585096714.db2.gz OSFKUMMOEXJNSQ-LBPRGKRZSA-N 2 1 222.332 2.101 20 0 BEADMP C[C@H](c1ccccn1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000750043118 585209713 /nfs/dbraw/zinc/20/97/13/585209713.db2.gz RGPKEAKAXJZLCH-CYBMUJFWSA-N 2 1 247.386 2.416 20 0 BEADMP Cn1ccnc1[C@@H]1CC[N@@H+](C[Si](C)(C)C)C1 ZINC000757641842 585343605 /nfs/dbraw/zinc/34/36/05/585343605.db2.gz IFVNJGUXNCSIEH-LLVKDONJSA-N 2 1 237.423 2.087 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](C)CCCF ZINC000766085626 585497469 /nfs/dbraw/zinc/49/74/69/585497469.db2.gz GIUONRCCWZBNSU-UHFFFAOYSA-N 2 1 204.333 2.010 20 0 BEADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CCO ZINC000779398052 585753351 /nfs/dbraw/zinc/75/33/51/585753351.db2.gz DDRSRRJEGHACGM-ZIAGYGMSSA-N 2 1 242.407 2.002 20 0 BEADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CCO ZINC000779398052 585753352 /nfs/dbraw/zinc/75/33/52/585753352.db2.gz DDRSRRJEGHACGM-ZIAGYGMSSA-N 2 1 242.407 2.002 20 0 BEADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CCO ZINC000779398050 585753464 /nfs/dbraw/zinc/75/34/64/585753464.db2.gz DDRSRRJEGHACGM-UONOGXRCSA-N 2 1 242.407 2.002 20 0 BEADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CCO ZINC000779398050 585753465 /nfs/dbraw/zinc/75/34/65/585753465.db2.gz DDRSRRJEGHACGM-UONOGXRCSA-N 2 1 242.407 2.002 20 0 BEADMP C[C@H](C1CC1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000782182445 585810386 /nfs/dbraw/zinc/81/03/86/585810386.db2.gz HDFFEUIWFGNBND-CHWSQXEVSA-N 2 1 222.376 2.203 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C2CC2)C1 ZINC000782191547 585811483 /nfs/dbraw/zinc/81/14/83/585811483.db2.gz XAVGKFIIMJSRHD-NWDGAFQWSA-N 2 1 210.365 2.059 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C2CC2)C1 ZINC000782191547 585811484 /nfs/dbraw/zinc/81/14/84/585811484.db2.gz XAVGKFIIMJSRHD-NWDGAFQWSA-N 2 1 210.365 2.059 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C2CC2)C1 ZINC000782191547 585811485 /nfs/dbraw/zinc/81/14/85/585811485.db2.gz XAVGKFIIMJSRHD-NWDGAFQWSA-N 2 1 210.365 2.059 20 0 BEADMP NC(CC1CC1)=[NH+]OCCC[NH+]1CCCCC1 ZINC000808258863 586469060 /nfs/dbraw/zinc/46/90/60/586469060.db2.gz YYDBKDRPEFVJDE-UHFFFAOYSA-N 2 1 239.363 2.161 20 0 BEADMP C(C[NH2+]C1CCCCCCC1)[NH2+]C1CC1 ZINC000817952663 586848583 /nfs/dbraw/zinc/84/85/83/586848583.db2.gz HNMTZOKUCDWANG-UHFFFAOYSA-N 2 1 210.365 2.441 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000817957690 586850365 /nfs/dbraw/zinc/85/03/65/586850365.db2.gz DQSDVSNENXZTRS-FZMZJTMJSA-N 2 1 248.370 2.255 20 0 BEADMP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H](C[NH3+])C1CC1 ZINC000817961337 586852675 /nfs/dbraw/zinc/85/26/75/586852675.db2.gz XKVIIFYBFRPTFM-HUUCEWRRSA-N 2 1 230.355 2.309 20 0 BEADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C[NH3+])C1CC1 ZINC000817961336 586853389 /nfs/dbraw/zinc/85/33/89/586853389.db2.gz XKVIIFYBFRPTFM-GJZGRUSLSA-N 2 1 230.355 2.309 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc2c(c1)CCO2 ZINC000817964738 586853823 /nfs/dbraw/zinc/85/38/23/586853823.db2.gz GOFXKQKMMCDLGY-QMTHXVAHSA-N 2 1 246.354 2.009 20 0 BEADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccnc(Cl)c1 ZINC000817965041 586854454 /nfs/dbraw/zinc/85/44/54/586854454.db2.gz NXCWRECEFFSLAL-SECBINFHSA-N 2 1 239.750 2.267 20 0 BEADMP CC[C@H]([NH2+][C@H](C)C[NH3+])c1ccc2c(c1)CCCO2 ZINC000817966073 586854759 /nfs/dbraw/zinc/85/47/59/586854759.db2.gz FSCNQIXEZYPQKA-RISCZKNCSA-N 2 1 248.370 2.400 20 0 BEADMP CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccc2c(c1)CCO2 ZINC000817977144 586862002 /nfs/dbraw/zinc/86/20/02/586862002.db2.gz CHQXAIDREVAXNL-SUNKGSAMSA-N 2 1 248.370 2.398 20 0 BEADMP CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccc2c(c1)CCO2 ZINC000817977142 586862096 /nfs/dbraw/zinc/86/20/96/586862096.db2.gz CHQXAIDREVAXNL-GYSYKLTISA-N 2 1 248.370 2.398 20 0 BEADMP CC(C)[N@@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000201325328 589082337 /nfs/dbraw/zinc/08/23/37/589082337.db2.gz CLMJSKRUUFXRIZ-UHFFFAOYSA-N 2 1 210.365 2.201 20 0 BEADMP CC(C)(C)SCC[N@H+]1CCn2cncc2C1 ZINC000821270166 587104476 /nfs/dbraw/zinc/10/44/76/587104476.db2.gz KJQOMJKUSYNKMI-UHFFFAOYSA-N 2 1 239.388 2.230 20 0 BEADMP CC(C)(C)SCCN1CCn2cncc2C1 ZINC000821270166 587104477 /nfs/dbraw/zinc/10/44/77/587104477.db2.gz KJQOMJKUSYNKMI-UHFFFAOYSA-N 2 1 239.388 2.230 20 0 BEADMP C[C@H]1CC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000834909622 587770341 /nfs/dbraw/zinc/77/03/41/587770341.db2.gz SPQUITOBSMPDLN-WCQYABFASA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000841076884 587943687 /nfs/dbraw/zinc/94/36/87/587943687.db2.gz RZTHYHALRZYSIJ-MNOVXSKESA-N 2 1 248.370 2.225 20 0 BEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCc1ccccc1F ZINC000841085373 587945422 /nfs/dbraw/zinc/94/54/22/587945422.db2.gz ATDVIUDRZIATII-CYBMUJFWSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)C(C)(C)C ZINC000841105337 587946175 /nfs/dbraw/zinc/94/61/75/587946175.db2.gz KIRODYTYJBEPPE-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@@H+](Cc1ccc2c(c1)COC2)CC(C)(C)C[NH3+] ZINC000843056619 588077972 /nfs/dbraw/zinc/07/79/72/588077972.db2.gz SSESEBAITLAEDF-UHFFFAOYSA-N 2 1 248.370 2.134 20 0 BEADMP [NH3+]CCCCCC[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000846217387 588259820 /nfs/dbraw/zinc/25/98/20/588259820.db2.gz GBNOXWQHEILHDX-CYBMUJFWSA-N 2 1 240.391 2.006 20 0 BEADMP Cl/C=C/C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000846220766 588260238 /nfs/dbraw/zinc/26/02/38/588260238.db2.gz PTNWAUUOOZYMGF-JKNNBXRXSA-N 2 1 228.767 2.203 20 0 BEADMP Cl/C=C/C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000846220766 588260239 /nfs/dbraw/zinc/26/02/39/588260239.db2.gz PTNWAUUOOZYMGF-JKNNBXRXSA-N 2 1 228.767 2.203 20 0 BEADMP CC1(C)C[N@@H+](CCCCCC[NH3+])C(C)(C)CO1 ZINC000846218974 588260829 /nfs/dbraw/zinc/26/08/29/588260829.db2.gz AYHZPLITXZTUBS-UHFFFAOYSA-N 2 1 242.407 2.395 20 0 BEADMP CC(C)C[C@H]1COCC[N@H+]1CCCCCC[NH3+] ZINC000846217913 588260888 /nfs/dbraw/zinc/26/08/88/588260888.db2.gz INGZJAPYLGKNPK-AWEZNQCLSA-N 2 1 242.407 2.252 20 0 BEADMP CCOC[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846218832 588260983 /nfs/dbraw/zinc/26/09/83/588260983.db2.gz YCKUATSPGYRZRE-AWEZNQCLSA-N 2 1 242.407 2.254 20 0 BEADMP [NH3+]C[C@@H]([NH2+]C/C=C\Cl)C1CCCCC1 ZINC000846220354 588261266 /nfs/dbraw/zinc/26/12/66/588261266.db2.gz GWHCMGDNJJPMGY-MEQVVJDKSA-N 2 1 216.756 2.236 20 0 BEADMP [NH3+]CCCCCC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000846221045 588261291 /nfs/dbraw/zinc/26/12/91/588261291.db2.gz RERVLTWNIYRXEE-CQSZACIVSA-N 3 1 241.423 2.003 20 0 BEADMP Cc1cccc(NC(=[NH2+])NCC[N@@H+](C)C2CC2)c1 ZINC000848997545 588429464 /nfs/dbraw/zinc/42/94/64/588429464.db2.gz OLLWJEJMJJTSFV-UHFFFAOYSA-N 2 1 246.358 2.025 20 0 BEADMP Cc1cccc(NC(=[NH2+])NCC[N@H+](C)C2CC2)c1 ZINC000848997545 588429466 /nfs/dbraw/zinc/42/94/66/588429466.db2.gz OLLWJEJMJJTSFV-UHFFFAOYSA-N 2 1 246.358 2.025 20 0 BEADMP CCc1ccc(NC(=[NH2+])NC[C@H](C)[NH+](C)C)cc1 ZINC000848996663 588429495 /nfs/dbraw/zinc/42/94/95/588429495.db2.gz NZKKVRMZYVLIHJ-NSHDSACASA-N 2 1 248.374 2.135 20 0 BEADMP C[C@H]([NH3+])C[N@H+](C)Cc1cccc2ncccc12 ZINC000852754774 588700746 /nfs/dbraw/zinc/70/07/46/588700746.db2.gz LMYYXHLOGNFTES-NSHDSACASA-N 2 1 229.327 2.014 20 0 BEADMP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc2ncccc12 ZINC000852754774 588700747 /nfs/dbraw/zinc/70/07/47/588700747.db2.gz LMYYXHLOGNFTES-NSHDSACASA-N 2 1 229.327 2.014 20 0 BEADMP C[C@@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C1CC(F)(F)C1 ZINC000862271955 589197965 /nfs/dbraw/zinc/19/79/65/589197965.db2.gz GKUMHMCBKZFXLS-BXKDBHETSA-N 2 1 246.345 2.350 20 0 BEADMP CCC[C@@H](C)CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000863544649 589298106 /nfs/dbraw/zinc/29/81/06/589298106.db2.gz AJDCQWDNUAQDJO-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[C@@H](C)CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000863544649 589298107 /nfs/dbraw/zinc/29/81/07/589298107.db2.gz AJDCQWDNUAQDJO-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP CCC(CC)NC(=[NH2+])NCCC[N@@H+](C)C(C)C ZINC000864452597 589365525 /nfs/dbraw/zinc/36/55/25/589365525.db2.gz OJYUOHHRXMRFKI-UHFFFAOYSA-N 2 1 242.411 2.019 20 0 BEADMP CCCC[N@@H+](C)CCNC(=[NH2+])NC(CC)CC ZINC000864458832 589368177 /nfs/dbraw/zinc/36/81/77/589368177.db2.gz UHTBWRVNBXAPFP-UHFFFAOYSA-N 2 1 242.411 2.021 20 0 BEADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2F)CC[N@@H+]1C ZINC000866449555 589493971 /nfs/dbraw/zinc/49/39/71/589493971.db2.gz DHMKHQAICNLNSD-QNWHQSFQSA-N 2 1 228.355 2.339 20 0 BEADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2F)CC[N@H+]1C ZINC000866449555 589493973 /nfs/dbraw/zinc/49/39/73/589493973.db2.gz DHMKHQAICNLNSD-QNWHQSFQSA-N 2 1 228.355 2.339 20 0 BEADMP CS[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000866487722 589496824 /nfs/dbraw/zinc/49/68/24/589496824.db2.gz GCWBJECOCRRKFH-AULYBMBSSA-N 2 1 240.416 2.097 20 0 BEADMP CCC[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866583367 589501955 /nfs/dbraw/zinc/50/19/55/589501955.db2.gz KFYMCSRHPGKGIP-YNEHKIRRSA-N 2 1 210.365 2.201 20 0 BEADMP CCC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866583367 589501956 /nfs/dbraw/zinc/50/19/56/589501956.db2.gz KFYMCSRHPGKGIP-YNEHKIRRSA-N 2 1 210.365 2.201 20 0 BEADMP CCC[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866583367 589501957 /nfs/dbraw/zinc/50/19/57/589501957.db2.gz KFYMCSRHPGKGIP-YNEHKIRRSA-N 2 1 210.365 2.201 20 0 BEADMP CCC[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866583367 589501958 /nfs/dbraw/zinc/50/19/58/589501958.db2.gz KFYMCSRHPGKGIP-YNEHKIRRSA-N 2 1 210.365 2.201 20 0 BEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC000866665702 589509614 /nfs/dbraw/zinc/50/96/14/589509614.db2.gz ZLZKIEMWXZWDGC-LLVKDONJSA-N 2 1 249.358 2.113 20 0 BEADMP N[C@@H]1CCCCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000866671696 589510827 /nfs/dbraw/zinc/51/08/27/589510827.db2.gz YLVZRVORNFAXNO-CQSZACIVSA-N 2 1 241.423 2.099 20 0 BEADMP [NH3+]CCCCCCCN1CCCCC[C@@H]([NH3+])C1 ZINC000866671696 589510828 /nfs/dbraw/zinc/51/08/28/589510828.db2.gz YLVZRVORNFAXNO-CQSZACIVSA-N 2 1 241.423 2.099 20 0 BEADMP CC(C)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866704181 589513658 /nfs/dbraw/zinc/51/36/58/589513658.db2.gz RNGXSVWXLVRMTO-CYBMUJFWSA-N 2 1 212.381 2.339 20 0 BEADMP C(C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21)C1CCC1 ZINC000866723068 589515234 /nfs/dbraw/zinc/51/52/34/589515234.db2.gz GAOFZTFDZRLYDB-QWHCGFSZSA-N 2 1 208.349 2.003 20 0 BEADMP C(C[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21)C1CCC1 ZINC000866723068 589515235 /nfs/dbraw/zinc/51/52/35/589515235.db2.gz GAOFZTFDZRLYDB-QWHCGFSZSA-N 2 1 208.349 2.003 20 0 BEADMP C(C[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21)C1CCC1 ZINC000866723067 589515345 /nfs/dbraw/zinc/51/53/45/589515345.db2.gz GAOFZTFDZRLYDB-OLZOCXBDSA-N 2 1 208.349 2.003 20 0 BEADMP C(C[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21)C1CCC1 ZINC000866723067 589515347 /nfs/dbraw/zinc/51/53/47/589515347.db2.gz GAOFZTFDZRLYDB-OLZOCXBDSA-N 2 1 208.349 2.003 20 0 BEADMP CC1(C)CC(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC000866725246 589516351 /nfs/dbraw/zinc/51/63/51/589516351.db2.gz RGKAEZDCDNUBHE-STQMWFEESA-N 2 1 222.376 2.249 20 0 BEADMP CC1(C)CC(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC000866725246 589516352 /nfs/dbraw/zinc/51/63/52/589516352.db2.gz RGKAEZDCDNUBHE-STQMWFEESA-N 2 1 222.376 2.249 20 0 BEADMP C(CC1CC1)C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866725080 589516571 /nfs/dbraw/zinc/51/65/71/589516571.db2.gz QNEKGLNEYCWXJB-STQMWFEESA-N 2 1 208.349 2.003 20 0 BEADMP C(CC1CC1)C[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866725080 589516572 /nfs/dbraw/zinc/51/65/72/589516572.db2.gz QNEKGLNEYCWXJB-STQMWFEESA-N 2 1 208.349 2.003 20 0 BEADMP CC[C@H]1C[N@@H+](CCc2cccs2)CC[C@@H]1[NH3+] ZINC000122883060 589642614 /nfs/dbraw/zinc/64/26/14/589642614.db2.gz BYLXOVIVYIJYOQ-AAEUAGOBSA-N 2 1 238.400 2.350 20 0 BEADMP C[NH+]1CCC([NH2+]CCC[C@H]2C=CCC2)CC1 ZINC000872106910 589872956 /nfs/dbraw/zinc/87/29/56/589872956.db2.gz IUXOQLBSNKTNIQ-ZDUSSCGKSA-N 2 1 222.376 2.417 20 0 BEADMP C[NH2+]CCC[N@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000872146127 589884981 /nfs/dbraw/zinc/88/49/81/589884981.db2.gz GIIVXRYRJAOJME-MRXNPFEDSA-N 2 1 244.382 2.186 20 0 BEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCC1CCCC1)C2 ZINC000872153345 589885331 /nfs/dbraw/zinc/88/53/31/589885331.db2.gz JTHAIHNWOZXHPP-LSDHHAIUSA-N 2 1 236.403 2.498 20 0 BEADMP Cc1cnc([C@@H](C)[N@@H+](C)CCCCCC[NH3+])o1 ZINC000872155869 589886207 /nfs/dbraw/zinc/88/62/07/589886207.db2.gz ZDKYURBYFHJREK-GFCCVEGCSA-N 2 1 239.363 2.495 20 0 BEADMP CCc1nocc1C[N@@H+](C)CCCCCC[NH3+] ZINC000872155843 589886417 /nfs/dbraw/zinc/88/64/17/589886417.db2.gz YCWTWHZRMDWVQI-UHFFFAOYSA-N 2 1 239.363 2.188 20 0 BEADMP C[C@H]1C[N@H+](CC(C)(C)[NH3+])Cc2ccccc21 ZINC000873227618 590000742 /nfs/dbraw/zinc/00/07/42/590000742.db2.gz LVCIXXZSYHSWBQ-NSHDSACASA-N 2 1 218.344 2.343 20 0 BEADMP C[C@H]1C[N@@H+](CC(C)(C)[NH3+])Cc2ccccc21 ZINC000873227618 590000744 /nfs/dbraw/zinc/00/07/44/590000744.db2.gz LVCIXXZSYHSWBQ-NSHDSACASA-N 2 1 218.344 2.343 20 0 BEADMP CC1(C)CC[C@H](C[NH2+][C@H]2CCCSC2)[NH2+]C1 ZINC000873236737 590004479 /nfs/dbraw/zinc/00/44/79/590004479.db2.gz JJWQAMFSIAAJOD-NEPJUHHUSA-N 2 1 242.432 2.250 20 0 BEADMP C[N@H+]1CC[C@H]2C[NH+](CCc3ccccc3)CC[C@@H]21 ZINC000877743493 590410730 /nfs/dbraw/zinc/41/07/30/590410730.db2.gz WJSQAVRBSNHSPY-HOTGVXAUSA-N 2 1 244.382 2.255 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](CCc3ccccc3)CC[C@@H]21 ZINC000877743493 590410731 /nfs/dbraw/zinc/41/07/31/590410731.db2.gz WJSQAVRBSNHSPY-HOTGVXAUSA-N 2 1 244.382 2.255 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](CCc3ccccc3)CC[C@@H]21 ZINC000877743493 590410732 /nfs/dbraw/zinc/41/07/32/590410732.db2.gz WJSQAVRBSNHSPY-HOTGVXAUSA-N 2 1 244.382 2.255 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C2(C)CC(F)(F)C2)CC[N@@H+]1C ZINC000877834315 590428900 /nfs/dbraw/zinc/42/89/00/590428900.db2.gz QFZMQZLXCZYPHG-UWVGGRQHSA-N 2 1 232.318 2.247 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]C2(C)CC(F)(F)C2)CC[N@H+]1C ZINC000877834315 590428902 /nfs/dbraw/zinc/42/89/02/590428902.db2.gz QFZMQZLXCZYPHG-UWVGGRQHSA-N 2 1 232.318 2.247 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C2(C)CC(F)(F)C2)CC[N@@H+]1C ZINC000877834363 590429384 /nfs/dbraw/zinc/42/93/84/590429384.db2.gz QFZMQZLXCZYPHG-VHSXEESVSA-N 2 1 232.318 2.247 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C2(C)CC(F)(F)C2)CC[N@H+]1C ZINC000877834363 590429386 /nfs/dbraw/zinc/42/93/86/590429386.db2.gz QFZMQZLXCZYPHG-VHSXEESVSA-N 2 1 232.318 2.247 20 0 BEADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCC3CC3)C2)C1 ZINC000878644672 590600533 /nfs/dbraw/zinc/60/05/33/590600533.db2.gz AYMYPEJUQIKCIY-CQSZACIVSA-N 2 1 222.376 2.204 20 0 BEADMP C[N@H+]1CC[C@]2(CC[NH+](CCCC3CC3)C2)C1 ZINC000878644671 590600812 /nfs/dbraw/zinc/60/08/12/590600812.db2.gz AYMYPEJUQIKCIY-AWEZNQCLSA-N 2 1 222.376 2.204 20 0 BEADMP CC(C)C[N@@H+](CCF)CC1CC[NH+](C)CC1 ZINC000879704837 590852861 /nfs/dbraw/zinc/85/28/61/590852861.db2.gz VHIZCTGWXKBPIF-UHFFFAOYSA-N 2 1 230.371 2.256 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](CF)C1 ZINC000880236886 590968724 /nfs/dbraw/zinc/96/87/24/590968724.db2.gz LGUOOBRXWSILCW-ZDUSSCGKSA-N 2 1 239.338 2.263 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](CF)C1 ZINC000880236886 590968725 /nfs/dbraw/zinc/96/87/25/590968725.db2.gz LGUOOBRXWSILCW-ZDUSSCGKSA-N 2 1 239.338 2.263 20 0 BEADMP CCCC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880262605 590980834 /nfs/dbraw/zinc/98/08/34/590980834.db2.gz QELUMYRJUPIPRU-ZDUSSCGKSA-N 2 1 233.359 2.392 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259549 590980975 /nfs/dbraw/zinc/98/09/75/590980975.db2.gz WAPLJJHDWAPPTG-HZSPNIEDSA-N 2 1 245.370 2.248 20 0 BEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](CF)C1 ZINC000880295315 590988887 /nfs/dbraw/zinc/98/88/87/590988887.db2.gz JWBVFNTVTPONEU-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](CF)C1 ZINC000880295315 590988890 /nfs/dbraw/zinc/98/88/90/590988890.db2.gz JWBVFNTVTPONEU-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](CF)C1 ZINC000880295315 590988894 /nfs/dbraw/zinc/98/88/94/590988894.db2.gz JWBVFNTVTPONEU-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2C=CCC2)[C@H](C)C1 ZINC000883247013 591588219 /nfs/dbraw/zinc/58/82/19/591588219.db2.gz XHBYMRZJMNKGCK-RDBSUJKOSA-N 2 1 222.376 2.273 20 0 BEADMP C=C/C=C/CC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000883267772 591601277 /nfs/dbraw/zinc/60/12/77/591601277.db2.gz POWNVQCDJDBCPQ-JLVOYYQZSA-N 2 1 222.376 2.439 20 0 BEADMP FC1(F)CCC[C@H]1CC[N@@H+]1CCC[NH2+]CC1 ZINC000883415502 591652486 /nfs/dbraw/zinc/65/24/86/591652486.db2.gz WYXQEFBFPDGBNG-NSHDSACASA-N 2 1 232.318 2.107 20 0 BEADMP FC1(F)CCC[C@H]1CC[N@H+]1CCC[NH2+]CC1 ZINC000883415502 591652491 /nfs/dbraw/zinc/65/24/91/591652491.db2.gz WYXQEFBFPDGBNG-NSHDSACASA-N 2 1 232.318 2.107 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883417171 591652610 /nfs/dbraw/zinc/65/26/10/591652610.db2.gz PUBFCCGRABVPQD-WDEREUQCSA-N 2 1 232.318 2.093 20 0 BEADMP C[N@@H+](CC[C@H]1CCCC1(F)F)C1CC[NH2+]CC1 ZINC000883416132 591653282 /nfs/dbraw/zinc/65/32/82/591653282.db2.gz MMEKMQOXZAHTHW-LLVKDONJSA-N 2 1 246.345 2.496 20 0 BEADMP C=C/C=C\CC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000883429636 591660542 /nfs/dbraw/zinc/66/05/42/591660542.db2.gz AORYCBUOGPINEW-BDTQGIJQSA-N 2 1 208.349 2.095 20 0 BEADMP COCCCCC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883458629 591674394 /nfs/dbraw/zinc/67/43/94/591674394.db2.gz QVALEBDDEYFOAG-UHFFFAOYSA-N 2 1 240.391 2.021 20 0 BEADMP c1ccc2c(c1)OCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000132117819 591687917 /nfs/dbraw/zinc/68/79/17/591687917.db2.gz XHBIAOWJFZFSII-OCCSQVGLSA-N 2 1 246.354 2.099 20 0 BEADMP CC[C@H]1C[N@@H+](CCCCCC[NH3+])CCS1 ZINC000133055971 591761548 /nfs/dbraw/zinc/76/15/48/591761548.db2.gz FBQIGRVPGNITEO-LBPRGKRZSA-N 2 1 230.421 2.333 20 0 BEADMP C[C@]1(Cc2ccc(F)cc2)CCC[N@@H+]1CC[NH3+] ZINC000886843294 592362583 /nfs/dbraw/zinc/36/25/83/592362583.db2.gz UYDDIDKSRWTDQV-CQSZACIVSA-N 2 1 236.334 2.181 20 0 BEADMP C[C@]1(Cc2ccc(F)cc2)CCC[N@H+]1CC[NH3+] ZINC000886843294 592362588 /nfs/dbraw/zinc/36/25/88/592362588.db2.gz UYDDIDKSRWTDQV-CQSZACIVSA-N 2 1 236.334 2.181 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886860271 592369841 /nfs/dbraw/zinc/36/98/41/592369841.db2.gz YGXJYBMBYVNFSB-KGLIPLIRSA-N 2 1 240.391 2.006 20 0 BEADMP C[C@@H]1CC[N@@H+](CCOCC[NH3+])[C@H]1c1ccccc1 ZINC000886858262 592370757 /nfs/dbraw/zinc/37/07/57/592370757.db2.gz UAJGODNDOHIWCP-UKRRQHHQSA-N 2 1 248.370 2.045 20 0 BEADMP CC(C)CC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865163 592373307 /nfs/dbraw/zinc/37/33/07/592373307.db2.gz BZWYFOLTVDSAKE-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP Cl/C=C\C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874425 592376261 /nfs/dbraw/zinc/37/62/61/592376261.db2.gz NOWIGVGAHMXNNC-GCLPIYDQSA-N 2 1 228.767 2.205 20 0 BEADMP Cl/C=C\C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874425 592376266 /nfs/dbraw/zinc/37/62/66/592376266.db2.gz NOWIGVGAHMXNNC-GCLPIYDQSA-N 2 1 228.767 2.205 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886873926 592377117 /nfs/dbraw/zinc/37/71/17/592377117.db2.gz BOFYTCMINVOAHK-MCIONIFRSA-N 2 1 222.376 2.108 20 0 BEADMP c1ccc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)nc1 ZINC000886872390 592378250 /nfs/dbraw/zinc/37/82/50/592378250.db2.gz RHZGVINWZOAOQB-OAHLLOKOSA-N 2 1 245.370 2.047 20 0 BEADMP c1ccc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)nc1 ZINC000886872390 592378254 /nfs/dbraw/zinc/37/82/54/592378254.db2.gz RHZGVINWZOAOQB-OAHLLOKOSA-N 2 1 245.370 2.047 20 0 BEADMP FC(F)C[N@H+](CCC1CC[NH2+]CC1)C1CCC1 ZINC000886880779 592381150 /nfs/dbraw/zinc/38/11/50/592381150.db2.gz CRUGVMOIUCJNHR-UHFFFAOYSA-N 2 1 246.345 2.496 20 0 BEADMP FC(F)C[N@@H+](CCC1CC[NH2+]CC1)C1CCC1 ZINC000886880779 592381155 /nfs/dbraw/zinc/38/11/55/592381155.db2.gz CRUGVMOIUCJNHR-UHFFFAOYSA-N 2 1 246.345 2.496 20 0 BEADMP CC[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134911 592448394 /nfs/dbraw/zinc/44/83/94/592448394.db2.gz SGHDYNFTKFLCNZ-CHWSQXEVSA-N 2 1 233.359 2.391 20 0 BEADMP CCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130510 592448495 /nfs/dbraw/zinc/44/84/95/592448495.db2.gz FRQWYKDCZUTZCX-LBPRGKRZSA-N 2 1 219.332 2.002 20 0 BEADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC1CC1 ZINC000887132917 592448959 /nfs/dbraw/zinc/44/89/59/592448959.db2.gz QAVYXJWFYXUYSB-LBPRGKRZSA-N 2 1 231.343 2.002 20 0 BEADMP c1coc(CCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000925716386 634446877 /nfs/dbraw/zinc/44/68/77/634446877.db2.gz PNBIFLHMMFCCFC-CQSZACIVSA-N 2 1 248.370 2.477 20 0 BEADMP C[C@H](c1ccncc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257696374 634467769 /nfs/dbraw/zinc/46/77/69/634467769.db2.gz KEMSOKTYPOIRMF-UKRRQHHQSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@H](c1ccncc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257696374 634467773 /nfs/dbraw/zinc/46/77/73/634467773.db2.gz KEMSOKTYPOIRMF-UKRRQHHQSA-N 2 1 245.370 2.218 20 0 BEADMP c1ccc(CCC[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000257741589 634488774 /nfs/dbraw/zinc/48/87/74/634488774.db2.gz YXAGKOPREFEQQD-INIZCTEOSA-N 2 1 244.382 2.447 20 0 BEADMP c1ccc(CCC[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000257741589 634488787 /nfs/dbraw/zinc/48/87/87/634488787.db2.gz YXAGKOPREFEQQD-INIZCTEOSA-N 2 1 244.382 2.447 20 0 BEADMP Nc1cc[nH+]c2c1C[N@H+](CCC1CCC1)CC2 ZINC000931515581 634531617 /nfs/dbraw/zinc/53/16/17/634531617.db2.gz GVDUXOJIZWXGBU-UHFFFAOYSA-N 2 1 231.343 2.212 20 0 BEADMP Nc1cc[nH+]c2c1C[N@@H+](CCC1CCC1)CC2 ZINC000931515581 634531631 /nfs/dbraw/zinc/53/16/31/634531631.db2.gz GVDUXOJIZWXGBU-UHFFFAOYSA-N 2 1 231.343 2.212 20 0 BEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000125577372 634565484 /nfs/dbraw/zinc/56/54/84/634565484.db2.gz AJZCAGQMIPGRKK-JTQLQIEISA-N 2 1 240.297 2.136 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1C=CCC1)c1c[nH+]ccc1N ZINC000925731537 634566835 /nfs/dbraw/zinc/56/68/35/634566835.db2.gz LUUWYROTLVRYDJ-WDEREUQCSA-N 2 1 217.316 2.111 20 0 BEADMP Cc1cc(F)c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c(F)c1 ZINC000925873704 635593116 /nfs/dbraw/zinc/59/31/16/635593116.db2.gz CIOLWZZDPOBDBF-ZJUUUORDSA-N 2 1 242.313 2.489 20 0 BEADMP CC(C)[C@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000891618376 631411049 /nfs/dbraw/zinc/41/10/49/631411049.db2.gz PUTXQXVVTGSQIA-CQSZACIVSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)C[C@H](C)S1 ZINC000891822067 631504992 /nfs/dbraw/zinc/50/49/92/631504992.db2.gz KZLMZSQMPRRMSC-TXEJJXNPSA-N 2 1 242.432 2.154 20 0 BEADMP CC[C@H](c1ccccc1)[N@H+](C)C[C@H](C)[NH3+] ZINC000309029870 631804397 /nfs/dbraw/zinc/80/43/97/631804397.db2.gz ASPUYPXYSGMAFD-WCQYABFASA-N 2 1 206.333 2.417 20 0 BEADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@H](C)[NH3+] ZINC000309029870 631804401 /nfs/dbraw/zinc/80/44/01/631804401.db2.gz ASPUYPXYSGMAFD-WCQYABFASA-N 2 1 206.333 2.417 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CC(C(F)F)C1 ZINC000309338140 632003522 /nfs/dbraw/zinc/00/35/22/632003522.db2.gz JMCQRXRLTLHOFB-KPPDAEKUSA-N 2 1 234.334 2.348 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CC(C(F)F)C1 ZINC000309338140 632003526 /nfs/dbraw/zinc/00/35/26/632003526.db2.gz JMCQRXRLTLHOFB-KPPDAEKUSA-N 2 1 234.334 2.348 20 0 BEADMP CC[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000051919035 632011908 /nfs/dbraw/zinc/01/19/08/632011908.db2.gz XKEBKRCVTQBFQV-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP CCCCCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000308890424 632093620 /nfs/dbraw/zinc/09/36/20/632093620.db2.gz XWVIZZMDRKBCKP-CYBMUJFWSA-N 2 1 210.365 2.252 20 0 BEADMP COc1ccccc1/C=C/C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414792562 635818800 /nfs/dbraw/zinc/81/88/00/635818800.db2.gz JDDDHLBFTVZAAK-IZPAUZPXSA-N 2 1 248.370 2.281 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](CC[NH3+])C2)C1 ZINC000309480283 632416804 /nfs/dbraw/zinc/41/68/04/632416804.db2.gz WNQIBEFJYSKGLK-RDBSUJKOSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@H](C1CC1)[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000219754930 632564137 /nfs/dbraw/zinc/56/41/37/632564137.db2.gz NRYXWBRWGQJGMK-YPMHNXCESA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000309150049 632648424 /nfs/dbraw/zinc/64/84/24/632648424.db2.gz WEOANGUCQCFJGC-PJXYFTJBSA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCc1cccc(F)c1 ZINC000310132273 632702192 /nfs/dbraw/zinc/70/21/92/632702192.db2.gz ZHCMKCOXDKUXFW-CQSZACIVSA-N 2 1 238.350 2.331 20 0 BEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000235416090 632704816 /nfs/dbraw/zinc/70/48/16/632704816.db2.gz FIPXVRBDYOSUNV-INIZCTEOSA-N 2 1 244.382 2.346 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000924570660 632924659 /nfs/dbraw/zinc/92/46/59/632924659.db2.gz QYAGQJHDYXVLAO-GUTXKFCHSA-N 2 1 234.387 2.415 20 0 BEADMP CC[C@@H]1CCC[N@H+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000309437243 633071100 /nfs/dbraw/zinc/07/11/00/633071100.db2.gz NCJAJHXWTKWOAI-GHMZBOCLSA-N 2 1 234.334 2.481 20 0 BEADMP CC[C@@H]1CCC[N@@H+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000309437243 633071107 /nfs/dbraw/zinc/07/11/07/633071107.db2.gz NCJAJHXWTKWOAI-GHMZBOCLSA-N 2 1 234.334 2.481 20 0 BEADMP C[C@H]1CC[N@@H+](CCc2cccs2)C[C@@H]1C[NH3+] ZINC000167664665 633130896 /nfs/dbraw/zinc/13/08/96/633130896.db2.gz YXIKOPUIGYRLET-RYUDHWBXSA-N 2 1 238.400 2.207 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CC(C(F)F)C1 ZINC000309629719 633214836 /nfs/dbraw/zinc/21/48/36/633214836.db2.gz HJTADYACADUWCT-KPPDAEKUSA-N 2 1 234.334 2.350 20 0 BEADMP C[N@H+]1CC[C@]2(CC[NH+](CC3(C)CCC3)C2)C1 ZINC000334907633 636068714 /nfs/dbraw/zinc/06/87/14/636068714.db2.gz SPXRQZVKAWNHIX-AWEZNQCLSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@H+](CC3(C)CCC3)C2)C1 ZINC000334907633 636068716 /nfs/dbraw/zinc/06/87/16/636068716.db2.gz SPXRQZVKAWNHIX-AWEZNQCLSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@@H+](CC3(C)CCC3)C2)C1 ZINC000334907633 636068717 /nfs/dbraw/zinc/06/87/17/636068717.db2.gz SPXRQZVKAWNHIX-AWEZNQCLSA-N 2 1 222.376 2.204 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]C1[C@@H](C)CC[C@@H]1C ZINC000309783261 633735811 /nfs/dbraw/zinc/73/58/11/633735811.db2.gz NKFNIGMBTVSWPR-QWRGUYRKSA-N 2 1 221.348 2.216 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCNc1ccccc1 ZINC000925502935 633826787 /nfs/dbraw/zinc/82/67/87/633826787.db2.gz JIYPYLVOMPXISY-DZGCQCFKSA-N 2 1 247.386 2.219 20 0 BEADMP C[C@@H]1CC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000309317433 633894771 /nfs/dbraw/zinc/89/47/71/633894771.db2.gz POQUPOPWKWYCKB-RKFYDKJMSA-N 2 1 222.376 2.390 20 0 BEADMP C[C@@H]1CC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000309317433 633894775 /nfs/dbraw/zinc/89/47/75/633894775.db2.gz POQUPOPWKWYCKB-RKFYDKJMSA-N 2 1 222.376 2.390 20 0 BEADMP [NH3+]CCC[C@H]([NH2+]Cc1ccon1)c1ccccc1 ZINC000925528719 633917154 /nfs/dbraw/zinc/91/71/54/633917154.db2.gz AALAZILKTBHXNL-AWEZNQCLSA-N 2 1 245.326 2.244 20 0 BEADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925607832 634139403 /nfs/dbraw/zinc/13/94/03/634139403.db2.gz DNGRQXQRDVYSGT-FZMZJTMJSA-N 2 1 248.370 2.053 20 0 BEADMP CCCC(O)(CCC)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925611615 634150882 /nfs/dbraw/zinc/15/08/82/634150882.db2.gz NNYCWLOECAQBEL-GFCCVEGCSA-N 2 1 242.407 2.048 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000925679317 634276170 /nfs/dbraw/zinc/27/61/70/634276170.db2.gz IURNGFFPXKTMBX-STQMWFEESA-N 2 1 247.386 2.089 20 0 BEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000925682911 634286121 /nfs/dbraw/zinc/28/61/21/634286121.db2.gz HMTBLZDPDYBIGC-NXEZZACHSA-N 2 1 232.318 2.152 20 0 BEADMP FC1(F)CCC[C@H]1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925683384 634287994 /nfs/dbraw/zinc/28/79/94/634287994.db2.gz PPQBQHGBKXFKPH-WDEREUQCSA-N 2 1 244.329 2.296 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925689311 634306046 /nfs/dbraw/zinc/30/60/46/634306046.db2.gz CLOBDTVKHHOLEP-UMSGYPCISA-N 2 1 210.365 2.151 20 0 BEADMP C[NH+]1C[C@]2(C)C[NH+](CCC3CCC3)C[C@@]2(C)C1 ZINC000931319556 634339198 /nfs/dbraw/zinc/33/91/98/634339198.db2.gz YKVHNPZANQQEIQ-HUUCEWRRSA-N 2 1 236.403 2.450 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)CS1 ZINC000925700154 634370025 /nfs/dbraw/zinc/37/00/25/634370025.db2.gz ZDIMMSPWVRPQLC-IJLUTSLNSA-N 2 1 240.416 2.145 20 0 BEADMP C[NH2+]CCC[N@H+](C)Cc1ccc2c(c1)CCCO2 ZINC000258730297 635192654 /nfs/dbraw/zinc/19/26/54/635192654.db2.gz JYCPFXDWACZVHW-UHFFFAOYSA-N 2 1 248.370 2.053 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc2c(c1)CCCO2 ZINC000258730297 635192656 /nfs/dbraw/zinc/19/26/56/635192656.db2.gz JYCPFXDWACZVHW-UHFFFAOYSA-N 2 1 248.370 2.053 20 0 BEADMP C[C@@]1(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)CCC[NH2+]C1 ZINC000126288953 635748745 /nfs/dbraw/zinc/74/87/45/635748745.db2.gz BJLBOJAGXAMSQV-HZSPNIEDSA-N 2 1 222.376 2.108 20 0 BEADMP C[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)[C@H]1C ZINC000252175612 636780935 /nfs/dbraw/zinc/78/09/35/636780935.db2.gz OXFMRIAUDDFZDK-NEPJUHHUSA-N 2 1 210.365 2.249 20 0 BEADMP CCC[C@H](C)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897621547 636825342 /nfs/dbraw/zinc/82/53/42/636825342.db2.gz HVZCBCHSXNRICU-MELADBBJSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[C@H](C)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000897621547 636825345 /nfs/dbraw/zinc/82/53/45/636825345.db2.gz HVZCBCHSXNRICU-MELADBBJSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[C@H](C)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000897621547 636825347 /nfs/dbraw/zinc/82/53/47/636825347.db2.gz HVZCBCHSXNRICU-MELADBBJSA-N 2 1 224.392 2.306 20 0 BEADMP C[N@H+](CCc1cccs1)CC[C@@H]1CC[NH2+]C1 ZINC000086442353 636886725 /nfs/dbraw/zinc/88/67/25/636886725.db2.gz FRUMPCPTDQOMMX-LBPRGKRZSA-N 2 1 238.400 2.222 20 0 BEADMP COCC[C@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866707716 636932170 /nfs/dbraw/zinc/93/21/70/636932170.db2.gz VSFVKUPGYMOCQR-JSGCOSHPSA-N 2 1 242.407 2.108 20 0 BEADMP CC(C)(C)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000041051409 636958457 /nfs/dbraw/zinc/95/84/57/636958457.db2.gz JHXLCIWCZUAJGC-NSHDSACASA-N 2 1 210.365 2.106 20 0 BEADMP C1=C[C@@H]2CC[C@H]1C[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000924650062 636974510 /nfs/dbraw/zinc/97/45/10/636974510.db2.gz POUNTDNKBLZQFX-AYDFFVQHSA-N 2 1 246.398 2.415 20 0 BEADMP C1=C[C@@H]2CC[C@H]1C[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000924650068 636974531 /nfs/dbraw/zinc/97/45/31/636974531.db2.gz POUNTDNKBLZQFX-NHIYQJMISA-N 2 1 246.398 2.415 20 0 BEADMP C[NH+](C)[C@H](C[NH2+]C1C[C@@H]2CCC[C@H]2C1)C1CC1 ZINC000902754507 637330774 /nfs/dbraw/zinc/33/07/74/637330774.db2.gz DXKMTPSQLBRCEQ-KCQAQPDRSA-N 2 1 236.403 2.495 20 0 BEADMP CO[C@H]1CCC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000903182504 637352011 /nfs/dbraw/zinc/35/20/11/637352011.db2.gz CGVNWPIEHWFXFC-KGLIPLIRSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903436754 637360861 /nfs/dbraw/zinc/36/08/61/637360861.db2.gz BFWRXEQQTZLPQR-XJFOESAGSA-N 2 1 222.376 2.391 20 0 BEADMP CC1CC(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000903788211 637381836 /nfs/dbraw/zinc/38/18/36/637381836.db2.gz FXSUYVUUWBEIPH-JXQTWKCFSA-N 2 1 222.376 2.251 20 0 BEADMP CC1CC(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000903788211 637381838 /nfs/dbraw/zinc/38/18/38/637381838.db2.gz FXSUYVUUWBEIPH-JXQTWKCFSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H](CC[NH2+]CC1([NH3+])CC1)c1ccccc1 ZINC000904443297 637411040 /nfs/dbraw/zinc/41/10/40/637411040.db2.gz IWPAIWCFFQZFGW-LBPRGKRZSA-N 2 1 218.344 2.261 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000904444353 637412777 /nfs/dbraw/zinc/41/27/77/637412777.db2.gz QRVGFEPNFKXMQP-UHFFFAOYSA-N 2 1 216.328 2.145 20 0 BEADMP [NH3+]C1CC([NH2+]Cc2cccc(Cl)c2F)C1 ZINC000906511195 638184028 /nfs/dbraw/zinc/18/40/28/638184028.db2.gz XLSCHVJVIKGCLR-UHFFFAOYSA-N 2 1 228.698 2.058 20 0 BEADMP COc1ccc2oc(C[NH2+][C@H]3C[C@H]([NH3+])C3)cc2c1 ZINC000906517774 638187222 /nfs/dbraw/zinc/18/72/22/638187222.db2.gz PYIBYDUJNVLUSL-XYPYZODXSA-N 2 1 246.310 2.021 20 0 BEADMP C[C@@H]1C[C@H]1C(N)=[NH+]OCC[C@@H]1CCCC[N@@H+]1C ZINC000906507122 638196511 /nfs/dbraw/zinc/19/65/11/638196511.db2.gz FJXVMQFQTHOCQL-GRYCIOLGSA-N 2 1 239.363 2.015 20 0 BEADMP C[C@@H]1C[C@H]1C(N)=[NH+]OCC[C@@H]1CCCC[N@H+]1C ZINC000906507122 638196516 /nfs/dbraw/zinc/19/65/16/638196516.db2.gz FJXVMQFQTHOCQL-GRYCIOLGSA-N 2 1 239.363 2.015 20 0 BEADMP C[C@@H]1C[C@@H]1C(N)=[NH+]OCC[C@H]1CCCC[N@@H+]1C ZINC000906507124 638197155 /nfs/dbraw/zinc/19/71/55/638197155.db2.gz FJXVMQFQTHOCQL-UTUOFQBUSA-N 2 1 239.363 2.015 20 0 BEADMP C[C@@H]1C[C@@H]1C(N)=[NH+]OCC[C@H]1CCCC[N@H+]1C ZINC000906507124 638197162 /nfs/dbraw/zinc/19/71/62/638197162.db2.gz FJXVMQFQTHOCQL-UTUOFQBUSA-N 2 1 239.363 2.015 20 0 BEADMP CCCC[N@@H+](CCC)CCC[NH+](C)C ZINC000906530738 638198568 /nfs/dbraw/zinc/19/85/68/638198568.db2.gz AOLPQHIDJDPADQ-UHFFFAOYSA-N 2 1 200.370 2.450 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280363 640134553 /nfs/dbraw/zinc/13/45/53/640134553.db2.gz YRZUSXWLKZZYTJ-ZSHCYNCHSA-N 2 1 244.382 2.295 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280363 640134559 /nfs/dbraw/zinc/13/45/59/640134559.db2.gz YRZUSXWLKZZYTJ-ZSHCYNCHSA-N 2 1 244.382 2.295 20 0 BEADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCCc3ccccc3)C[C@H]21 ZINC000931281929 640136354 /nfs/dbraw/zinc/13/63/54/640136354.db2.gz ATVBKOMGSDVUMA-ZSHCYNCHSA-N 2 1 244.382 2.111 20 0 BEADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCCc3ccccc3)C[C@H]21 ZINC000931281929 640136359 /nfs/dbraw/zinc/13/63/59/640136359.db2.gz ATVBKOMGSDVUMA-ZSHCYNCHSA-N 2 1 244.382 2.111 20 0 BEADMP CCSCC[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931310392 640147020 /nfs/dbraw/zinc/14/70/20/640147020.db2.gz JHCAPWHDYDVJQO-BETUJISGSA-N 2 1 242.432 2.013 20 0 BEADMP CCSCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310392 640147026 /nfs/dbraw/zinc/14/70/26/640147026.db2.gz JHCAPWHDYDVJQO-BETUJISGSA-N 2 1 242.432 2.013 20 0 BEADMP CCSCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310392 640147033 /nfs/dbraw/zinc/14/70/33/640147033.db2.gz JHCAPWHDYDVJQO-BETUJISGSA-N 2 1 242.432 2.013 20 0 BEADMP C[NH+]1C[C@]2(C)C[NH+](CCCCCF)C[C@@]2(C)C1 ZINC000931313852 640152181 /nfs/dbraw/zinc/15/21/81/640152181.db2.gz GYKSFOBCNXWWQY-ZIAGYGMSSA-N 2 1 242.382 2.400 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931316026 640155402 /nfs/dbraw/zinc/15/54/02/640155402.db2.gz FYDVDRXTJHYZCU-BARDWOONSA-N 2 1 236.403 2.306 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931316026 640155406 /nfs/dbraw/zinc/15/54/06/640155406.db2.gz FYDVDRXTJHYZCU-BARDWOONSA-N 2 1 236.403 2.306 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931316026 640155409 /nfs/dbraw/zinc/15/54/09/640155409.db2.gz FYDVDRXTJHYZCU-BARDWOONSA-N 2 1 236.403 2.306 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931316026 640155412 /nfs/dbraw/zinc/15/54/12/640155412.db2.gz FYDVDRXTJHYZCU-BARDWOONSA-N 2 1 236.403 2.306 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931316028 640156269 /nfs/dbraw/zinc/15/62/69/640156269.db2.gz FYDVDRXTJHYZCU-QPSCCSFWSA-N 2 1 236.403 2.306 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CCCC3)C[C@@H]2C1 ZINC000931432689 640199278 /nfs/dbraw/zinc/19/92/78/640199278.db2.gz ABYOIGVCOANJHG-KGLIPLIRSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CCCC3)C[C@@H]2C1 ZINC000931432689 640199282 /nfs/dbraw/zinc/19/92/82/640199282.db2.gz ABYOIGVCOANJHG-KGLIPLIRSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CCCC3)C[C@@H]2C1 ZINC000931432689 640199284 /nfs/dbraw/zinc/19/92/84/640199284.db2.gz ABYOIGVCOANJHG-KGLIPLIRSA-N 2 1 222.376 2.060 20 0 BEADMP CC/C=C\CC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435470 640203492 /nfs/dbraw/zinc/20/34/92/640203492.db2.gz DXYOLJINUXRKMC-OQOSRZTISA-N 2 1 222.376 2.226 20 0 BEADMP CC/C=C\CC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931435470 640203497 /nfs/dbraw/zinc/20/34/97/640203497.db2.gz DXYOLJINUXRKMC-OQOSRZTISA-N 2 1 222.376 2.226 20 0 BEADMP CC/C=C\CC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931435470 640203501 /nfs/dbraw/zinc/20/35/01/640203501.db2.gz DXYOLJINUXRKMC-OQOSRZTISA-N 2 1 222.376 2.226 20 0 BEADMP CCC(CC)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931441925 640208191 /nfs/dbraw/zinc/20/81/91/640208191.db2.gz QWTOIJWORXVLOI-UONOGXRCSA-N 2 1 224.392 2.306 20 0 BEADMP CCC(CC)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931441925 640208200 /nfs/dbraw/zinc/20/82/00/640208200.db2.gz QWTOIJWORXVLOI-UONOGXRCSA-N 2 1 224.392 2.306 20 0 BEADMP CCC(CC)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931441925 640208207 /nfs/dbraw/zinc/20/82/07/640208207.db2.gz QWTOIJWORXVLOI-UONOGXRCSA-N 2 1 224.392 2.306 20 0 BEADMP CC(C)CC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931508997 640239740 /nfs/dbraw/zinc/23/97/40/640239740.db2.gz MTDAONCPMOTNQT-UHFFFAOYSA-N 2 1 219.332 2.068 20 0 BEADMP CC(C)CC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931508997 640239742 /nfs/dbraw/zinc/23/97/42/640239742.db2.gz MTDAONCPMOTNQT-UHFFFAOYSA-N 2 1 219.332 2.068 20 0 BEADMP CCCCC[N@H+]1CCc2nccc(N)c2C1 ZINC000931512175 640242596 /nfs/dbraw/zinc/24/25/96/640242596.db2.gz GGKDOMVGAKLLJS-UHFFFAOYSA-N 2 1 219.332 2.212 20 0 BEADMP CCCCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931512175 640242608 /nfs/dbraw/zinc/24/26/08/640242608.db2.gz GGKDOMVGAKLLJS-UHFFFAOYSA-N 2 1 219.332 2.212 20 0 BEADMP CC1CC(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC000931547312 640268211 /nfs/dbraw/zinc/26/82/11/640268211.db2.gz QJTAXPCAYGHPFY-PQAZSJQKSA-N 2 1 222.376 2.059 20 0 BEADMP CC1CC(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000931547312 640268217 /nfs/dbraw/zinc/26/82/17/640268217.db2.gz QJTAXPCAYGHPFY-PQAZSJQKSA-N 2 1 222.376 2.059 20 0 BEADMP CC1CC(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000931547312 640268220 /nfs/dbraw/zinc/26/82/20/640268220.db2.gz QJTAXPCAYGHPFY-PQAZSJQKSA-N 2 1 222.376 2.059 20 0 BEADMP CC1CC(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC000931547312 640268223 /nfs/dbraw/zinc/26/82/23/640268223.db2.gz QJTAXPCAYGHPFY-PQAZSJQKSA-N 2 1 222.376 2.059 20 0 BEADMP CC1CC(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC000931547312 640268225 /nfs/dbraw/zinc/26/82/25/640268225.db2.gz QJTAXPCAYGHPFY-PQAZSJQKSA-N 2 1 222.376 2.059 20 0 BEADMP CC(C)OCCC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000151031484 640276781 /nfs/dbraw/zinc/27/67/81/640276781.db2.gz QQFYNVCZRMLTMS-UHFFFAOYSA-N 2 1 242.407 2.075 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000165069700 640530807 /nfs/dbraw/zinc/53/08/07/640530807.db2.gz GPXWHFKJRPPSLN-LBPRGKRZSA-N 2 1 241.338 2.015 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C1CCC(C)CC1 ZINC000223931987 640593715 /nfs/dbraw/zinc/59/37/15/640593715.db2.gz OEBILXHHFQLXCU-DKNRTOFZSA-N 2 1 224.392 2.352 20 0 BEADMP CC(C)[C@H]1CC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000166056835 640609760 /nfs/dbraw/zinc/60/97/60/640609760.db2.gz LWHCXNMCXYOVQW-LBPRGKRZSA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)[C@H]1CC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000166056835 640609767 /nfs/dbraw/zinc/60/97/67/640609767.db2.gz LWHCXNMCXYOVQW-LBPRGKRZSA-N 2 1 212.381 2.352 20 0 BEADMP CCCCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933732186 640753370 /nfs/dbraw/zinc/75/33/70/640753370.db2.gz MEZKVEZSAWMGSH-QWHCGFSZSA-N 2 1 210.365 2.060 20 0 BEADMP CCCCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933732186 640753375 /nfs/dbraw/zinc/75/33/75/640753375.db2.gz MEZKVEZSAWMGSH-QWHCGFSZSA-N 2 1 210.365 2.060 20 0 BEADMP CCCCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933732186 640753380 /nfs/dbraw/zinc/75/33/80/640753380.db2.gz MEZKVEZSAWMGSH-QWHCGFSZSA-N 2 1 210.365 2.060 20 0 BEADMP C[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)C[C@]2(C)C1 ZINC000933732135 640754436 /nfs/dbraw/zinc/75/44/36/640754436.db2.gz KAWMLPGAQMSYPW-KGLIPLIRSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)C[C@]2(C)C1 ZINC000933732135 640754440 /nfs/dbraw/zinc/75/44/40/640754440.db2.gz KAWMLPGAQMSYPW-KGLIPLIRSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)C[C@]2(C)C1 ZINC000933732135 640754443 /nfs/dbraw/zinc/75/44/43/640754443.db2.gz KAWMLPGAQMSYPW-KGLIPLIRSA-N 2 1 222.376 2.060 20 0 BEADMP CC(C)=CCC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933734901 640756629 /nfs/dbraw/zinc/75/66/29/640756629.db2.gz TZZYYDUDDPGFFP-KGLIPLIRSA-N 2 1 222.376 2.226 20 0 BEADMP CC(C)=CCC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933734901 640756634 /nfs/dbraw/zinc/75/66/34/640756634.db2.gz TZZYYDUDDPGFFP-KGLIPLIRSA-N 2 1 222.376 2.226 20 0 BEADMP CC(C)=CCC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933734901 640756641 /nfs/dbraw/zinc/75/66/41/640756641.db2.gz TZZYYDUDDPGFFP-KGLIPLIRSA-N 2 1 222.376 2.226 20 0 BEADMP C[N@H+]1C[C@@H]2C[NH+](CC3CC4(CCC4)C3)C[C@]2(C)C1 ZINC000933733623 640761588 /nfs/dbraw/zinc/76/15/88/640761588.db2.gz GGRIYGWJRQLDTN-CABCVRRESA-N 2 1 248.414 2.450 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@]2(C)C1 ZINC000933733623 640761590 /nfs/dbraw/zinc/76/15/90/640761590.db2.gz GGRIYGWJRQLDTN-CABCVRRESA-N 2 1 248.414 2.450 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@]2(C)C1 ZINC000933733623 640761592 /nfs/dbraw/zinc/76/15/92/640761592.db2.gz GGRIYGWJRQLDTN-CABCVRRESA-N 2 1 248.414 2.450 20 0 BEADMP C[C@@H]1C[N@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@H](C)S1 ZINC000226682748 640788516 /nfs/dbraw/zinc/78/85/16/640788516.db2.gz WCFJTWBLMOOWIT-XQQFMLRXSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1C[C@H](N[C@@H]2CCc3cccnc32)CC[N@H+]1C ZINC000226826123 640797891 /nfs/dbraw/zinc/79/78/91/640797891.db2.gz ASAKNLLKELPBQP-MRVWCRGKSA-N 2 1 245.370 2.141 20 0 BEADMP C([C@H]1CCC[NH2+]1)[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000228015532 640855164 /nfs/dbraw/zinc/85/51/64/640855164.db2.gz FCBHVLLQMLDUJW-YNEHKIRRSA-N 2 1 208.349 2.003 20 0 BEADMP CC[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000228740328 640892864 /nfs/dbraw/zinc/89/28/64/640892864.db2.gz OCQSRSRIODELDZ-OLZOCXBDSA-N 2 1 210.365 2.108 20 0 BEADMP [NH3+]C1CC([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000087651884 640957647 /nfs/dbraw/zinc/95/76/47/640957647.db2.gz PKQTVDGXBXKWDP-UHFFFAOYSA-N 2 1 228.698 2.058 20 0 BEADMP COC(C)(C)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000231026197 641133272 /nfs/dbraw/zinc/13/32/72/641133272.db2.gz QTJUNDPTUFDZHM-CHWSQXEVSA-N 2 1 240.391 2.018 20 0 BEADMP C[NH2+][C@@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC000063145723 641138589 /nfs/dbraw/zinc/13/85/89/641138589.db2.gz UKBSTPCZRXOBFD-WXRRBKDZSA-N 2 1 210.365 2.106 20 0 BEADMP C[NH2+][C@@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC000063145723 641138592 /nfs/dbraw/zinc/13/85/92/641138592.db2.gz UKBSTPCZRXOBFD-WXRRBKDZSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1CC[C@H](C[N@@H+](C)C2(C[NH3+])CCCCC2)O1 ZINC000231997416 641225709 /nfs/dbraw/zinc/22/57/09/641225709.db2.gz FZLKOUQJCFDYAO-QWHCGFSZSA-N 2 1 240.391 2.147 20 0 BEADMP CSCC(C)(C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000934670618 641242777 /nfs/dbraw/zinc/24/27/77/641242777.db2.gz VGVLYHIYGXSJQK-NSHDSACASA-N 2 1 230.421 2.202 20 0 BEADMP CC[C@@H]1CO[C@H](C)C[N@H+]1CCCCCCC[NH3+] ZINC000042452097 641552283 /nfs/dbraw/zinc/55/22/83/641552283.db2.gz GQAXKTIRMLKWPH-ZIAGYGMSSA-N 2 1 242.407 2.395 20 0 BEADMP CC[C@@H]1CO[C@H](C)C[N@H+]1CCCCCC[NH3+] ZINC000042452025 641552430 /nfs/dbraw/zinc/55/24/30/641552430.db2.gz VJAPJVZTJPQNLF-CHWSQXEVSA-N 2 1 228.380 2.005 20 0 BEADMP C1C[NH2+]C[C@H]([NH2+]C2CCCCCCC2)C1 ZINC000043324022 641560842 /nfs/dbraw/zinc/56/08/42/641560842.db2.gz HAPUUTUMXGLCMZ-CYBMUJFWSA-N 2 1 210.365 2.441 20 0 BEADMP [NH3+]CCCCCCC[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000043428043 641563453 /nfs/dbraw/zinc/56/34/53/641563453.db2.gz BBVNGFFCALAWHZ-UONOGXRCSA-N 2 1 240.391 2.149 20 0 BEADMP Cc1ccc(CC[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000076679630 641821138 /nfs/dbraw/zinc/82/11/38/641821138.db2.gz UZTCGNBXKHLGJL-OAHLLOKOSA-N 2 1 232.371 2.208 20 0 BEADMP CC[NH+](CC)CCSC[C@H]1CCC[N@H+]1C ZINC000917110466 642012209 /nfs/dbraw/zinc/01/22/09/642012209.db2.gz RXVOEECXBLUPHN-GFCCVEGCSA-N 2 1 230.421 2.156 20 0 BEADMP C[C@@H]1C[N@H+](CCCCCC[NH3+])C[C@H](C)S1 ZINC000069910029 642932439 /nfs/dbraw/zinc/93/24/39/642932439.db2.gz SQJHSOBCUBVQSX-TXEJJXNPSA-N 2 1 230.421 2.331 20 0 BEADMP C[NH+](C)CCC[NH2+]Cc1ccc(F)c(F)c1 ZINC000019958164 643052062 /nfs/dbraw/zinc/05/20/62/643052062.db2.gz DLRZDZRCQKRCPP-UHFFFAOYSA-N 2 1 228.286 2.006 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000082491036 643325511 /nfs/dbraw/zinc/32/55/11/643325511.db2.gz VXOJCELMRUMVMI-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP CCC1(CC)CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000232889760 643345194 /nfs/dbraw/zinc/34/51/94/643345194.db2.gz ZOXZUXPDEMVDMT-OLZOCXBDSA-N 2 1 224.392 2.354 20 0 BEADMP CC[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000084386095 643659600 /nfs/dbraw/zinc/65/96/00/643659600.db2.gz IJTWVYMJHXWYNI-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP CC[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000084386098 643659760 /nfs/dbraw/zinc/65/97/60/643659760.db2.gz IJTWVYMJHXWYNI-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP [NH3+]C[C@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000050245395 643660859 /nfs/dbraw/zinc/66/08/59/643660859.db2.gz NWZIHPNDOZRZIH-IUODEOHRSA-N 2 1 230.355 2.345 20 0 BEADMP CC(C)C[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000307826095 643674645 /nfs/dbraw/zinc/67/46/45/643674645.db2.gz YTGGONKADYDMPQ-RDBSUJKOSA-N 2 1 224.392 2.210 20 0 BEADMP CC[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000085014697 643678659 /nfs/dbraw/zinc/67/86/59/643678659.db2.gz KINPNUYVSSBICA-UPJWGTAASA-N 2 1 210.365 2.236 20 0 BEADMP C[NH+](C)C1CC[NH+](CCCc2cccnc2)CC1 ZINC000929259495 643840493 /nfs/dbraw/zinc/84/04/93/643840493.db2.gz DRFXDSZDHPKPFM-UHFFFAOYSA-N 2 1 247.386 2.040 20 0 BEADMP C[N@H+](CCc1cccs1)CC[C@H]1CC[NH2+]C1 ZINC000086442355 644137221 /nfs/dbraw/zinc/13/72/21/644137221.db2.gz FRUMPCPTDQOMMX-GFCCVEGCSA-N 2 1 238.400 2.222 20 0 BEADMP CC[N@@H+](CC1CC[NH2+]CC1)[C@H](C)C(C)C ZINC000086701841 644166392 /nfs/dbraw/zinc/16/63/92/644166392.db2.gz UBJFXSYGIPQGHO-GFCCVEGCSA-N 2 1 212.381 2.352 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@]12C[C@H]1CCC2 ZINC000922965116 644203890 /nfs/dbraw/zinc/20/38/90/644203890.db2.gz VTSYESDTVNHHRX-HIFRSBDPSA-N 2 1 245.370 2.427 20 0 BEADMP CC(C)CC[C@H](O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000923298986 644336965 /nfs/dbraw/zinc/33/69/65/644336965.db2.gz VWERRYRLOORYNW-KBPBESRZSA-N 2 1 244.423 2.089 20 0 BEADMP Fc1cccc(CC[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000923382342 644394282 /nfs/dbraw/zinc/39/42/82/644394282.db2.gz STFQYFBZGIQIHW-UHFFFAOYSA-N 2 1 248.345 2.196 20 0 BEADMP CC12CC(C1)C[N@H+]2CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923397040 644404993 /nfs/dbraw/zinc/40/49/93/644404993.db2.gz AYWUUUCBDSIYKY-QRFUTXMCSA-N 2 1 234.387 2.391 20 0 BEADMP C[C@H]1CCC(C)(C)[N@H+]1CCC[NH2+]C1CC1 ZINC000923420441 644424772 /nfs/dbraw/zinc/42/47/72/644424772.db2.gz IUWIDPMXXJABRW-NSHDSACASA-N 2 1 210.365 2.391 20 0 BEADMP CCc1cccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000923480508 644458873 /nfs/dbraw/zinc/45/88/73/644458873.db2.gz HZWQAUHZQUMCKA-CQSZACIVSA-N 2 1 232.371 2.420 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000923482572 644458918 /nfs/dbraw/zinc/45/89/18/644458918.db2.gz RJKCTYCVPRIXOG-IAQYHMDHSA-N 2 1 248.345 2.484 20 0 BEADMP C[C@H]1C[N@@H+](CCCC2CCC2)CC[C@H]1C[NH3+] ZINC000923489757 644464468 /nfs/dbraw/zinc/46/44/68/644464468.db2.gz KQXDVSBYSVDLAU-JSGCOSHPSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@@H]1C[N@@H+](CC=C(Cl)Cl)CC[C@H]1C[NH3+] ZINC000923488754 644465110 /nfs/dbraw/zinc/46/51/10/644465110.db2.gz GEDLVMKOTBXFLQ-BDAKNGLRSA-N 2 1 237.174 2.222 20 0 BEADMP C[C@H]1C[N@@H+](CC2CC(C)(C)C2)CC[C@H]1C[NH3+] ZINC000923489830 644465633 /nfs/dbraw/zinc/46/56/33/644465633.db2.gz LQHWOVBKBYSZJF-AAEUAGOBSA-N 2 1 224.392 2.339 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CC(C)(C)C2)CC[C@H]1C[NH3+] ZINC000923489833 644465872 /nfs/dbraw/zinc/46/58/72/644465872.db2.gz LQHWOVBKBYSZJF-YPMHNXCESA-N 2 1 224.392 2.339 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923499600 644473493 /nfs/dbraw/zinc/47/34/93/644473493.db2.gz TWWMEEUONJVDHO-OCCSQVGLSA-N 2 1 248.370 2.112 20 0 BEADMP Cc1ccc(CC[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923498334 644474262 /nfs/dbraw/zinc/47/42/62/644474262.db2.gz OEQOSNWYPHSVLZ-GDBMZVCRSA-N 2 1 246.398 2.454 20 0 BEADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000923515501 644479352 /nfs/dbraw/zinc/47/93/52/644479352.db2.gz XBNIVKHFEAUEFU-RZFFKMDDSA-N 2 1 230.355 2.069 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530669 644486615 /nfs/dbraw/zinc/48/66/15/644486615.db2.gz MBMPRGYASYSCGP-RDBSUJKOSA-N 2 1 222.376 2.251 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530669 644486620 /nfs/dbraw/zinc/48/66/20/644486620.db2.gz MBMPRGYASYSCGP-RDBSUJKOSA-N 2 1 222.376 2.251 20 0 BEADMP C=C/C=C/CC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530942 644488560 /nfs/dbraw/zinc/48/85/60/644488560.db2.gz NIZVPJVIOYNMMJ-RDFMZFSFSA-N 2 1 220.360 2.337 20 0 BEADMP C=C/C=C/CC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530942 644488563 /nfs/dbraw/zinc/48/85/63/644488563.db2.gz NIZVPJVIOYNMMJ-RDFMZFSFSA-N 2 1 220.360 2.337 20 0 BEADMP C1=CCC(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000923532353 644489307 /nfs/dbraw/zinc/48/93/07/644489307.db2.gz CLRADAHNNYPGII-AWEZNQCLSA-N 2 1 220.360 2.171 20 0 BEADMP CC(C)[C@H](C)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923533726 644489364 /nfs/dbraw/zinc/48/93/64/644489364.db2.gz NTCZIMVQRRNAMK-QWHCGFSZSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)CCOCC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091847629 644641984 /nfs/dbraw/zinc/64/19/84/644641984.db2.gz OCFPMYHMAXECBE-UHFFFAOYSA-N 2 1 242.407 2.251 20 0 BEADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccnc1 ZINC000093513264 644692368 /nfs/dbraw/zinc/69/23/68/644692368.db2.gz XYKQCIPMSRYMOP-ZFWWWQNUSA-N 2 1 247.386 2.482 20 0 BEADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccnc1 ZINC000093513266 644693959 /nfs/dbraw/zinc/69/39/59/644693959.db2.gz XYKQCIPMSRYMOP-DZGCQCFKSA-N 2 1 247.386 2.482 20 0 BEADMP CC[N@H+](Cc1ccccn1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000094918316 644733507 /nfs/dbraw/zinc/73/35/07/644733507.db2.gz XAMZBMXRPUVRBM-OLZOCXBDSA-N 2 1 233.359 2.031 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000793241804 644802124 /nfs/dbraw/zinc/80/21/24/644802124.db2.gz XVQSRTDFIBTDLH-MJBXVCDLSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000251718972 644819115 /nfs/dbraw/zinc/81/91/15/644819115.db2.gz PPDICNYAKYCLDD-RLAWYHOSSA-N 2 1 222.376 2.249 20 0 BEADMP C(CC1CCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252730991 644891597 /nfs/dbraw/zinc/89/15/97/644891597.db2.gz NVQOWWBZIZOMPD-KBPBESRZSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000252754384 644899945 /nfs/dbraw/zinc/89/99/45/644899945.db2.gz BBLMGAFLDVWLFC-RFGFWPKPSA-N 2 1 224.392 2.482 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000252787539 644906696 /nfs/dbraw/zinc/90/66/96/644906696.db2.gz BBEPVTJNTYGMKM-STQMWFEESA-N 2 1 242.432 2.204 20 0 BEADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@@H]1CC)C[NH+](C)C ZINC000926965694 645497629 /nfs/dbraw/zinc/49/76/29/645497629.db2.gz SFKYJYPPWSGEKY-BFHYXJOUSA-N 2 1 242.407 2.121 20 0 BEADMP CCO[C@H](C[NH2+][C@H]1CCC[C@@H]1CC)C[NH+](C)C ZINC000926965697 645498338 /nfs/dbraw/zinc/49/83/38/645498338.db2.gz SFKYJYPPWSGEKY-MJBXVCDLSA-N 2 1 242.407 2.121 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)OC)[C@H](C)C1 ZINC000866503729 645729423 /nfs/dbraw/zinc/72/94/23/645729423.db2.gz VTACXWYQWOGZQB-CHWSQXEVSA-N 2 1 242.407 2.121 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCCCC1 ZINC000924542626 646061630 /nfs/dbraw/zinc/06/16/30/646061630.db2.gz MYGNFJPIINBOKX-ONXXMXGDSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1CC[C@@H](C)C1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000924646784 646084167 /nfs/dbraw/zinc/08/41/67/646084167.db2.gz HGBYFLNIJIGYAC-UPJWGTAASA-N 2 1 236.403 2.495 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000929703819 646258366 /nfs/dbraw/zinc/25/83/66/646258366.db2.gz USLSDFJDUBKWNM-MJBXVCDLSA-N 2 1 224.392 2.306 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000929703819 646258367 /nfs/dbraw/zinc/25/83/67/646258367.db2.gz USLSDFJDUBKWNM-MJBXVCDLSA-N 2 1 224.392 2.306 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000929703819 646258373 /nfs/dbraw/zinc/25/83/73/646258373.db2.gz USLSDFJDUBKWNM-MJBXVCDLSA-N 2 1 224.392 2.306 20 0 BEADMP C[C@H]([NH3+])[C@H](NC[C@@]1(C)CCOC1)c1ccccc1 ZINC000925489467 646299180 /nfs/dbraw/zinc/29/91/80/646299180.db2.gz ZECKEFPINOMOFT-AEGPPILISA-N 2 1 248.370 2.091 20 0 BEADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@@]1(C)CCOC1)c1ccccc1 ZINC000925489467 646299185 /nfs/dbraw/zinc/29/91/85/646299185.db2.gz ZECKEFPINOMOFT-AEGPPILISA-N 2 1 248.370 2.091 20 0 BEADMP Fc1ccc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925488775 646299606 /nfs/dbraw/zinc/29/96/06/646299606.db2.gz LGJINMXGGBZKQG-AWEZNQCLSA-N 2 1 248.345 2.242 20 0 BEADMP CC1CC(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000929780355 646308565 /nfs/dbraw/zinc/30/85/65/646308565.db2.gz GAZXCJIXOUNLCP-FKZOYECMSA-N 2 1 224.392 2.447 20 0 BEADMP CC1CC(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000929780355 646308569 /nfs/dbraw/zinc/30/85/69/646308569.db2.gz GAZXCJIXOUNLCP-FKZOYECMSA-N 2 1 224.392 2.447 20 0 BEADMP CC1CC(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000929780355 646308576 /nfs/dbraw/zinc/30/85/76/646308576.db2.gz GAZXCJIXOUNLCP-FKZOYECMSA-N 2 1 224.392 2.447 20 0 BEADMP CC1CC(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000929780355 646308579 /nfs/dbraw/zinc/30/85/79/646308579.db2.gz GAZXCJIXOUNLCP-FKZOYECMSA-N 2 1 224.392 2.447 20 0 BEADMP CC1CC(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000929780359 646310008 /nfs/dbraw/zinc/31/00/08/646310008.db2.gz GAZXCJIXOUNLCP-HHTDUIENSA-N 2 1 224.392 2.447 20 0 BEADMP CC1CC(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000929780359 646310013 /nfs/dbraw/zinc/31/00/13/646310013.db2.gz GAZXCJIXOUNLCP-HHTDUIENSA-N 2 1 224.392 2.447 20 0 BEADMP CC1CC(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000929780359 646310018 /nfs/dbraw/zinc/31/00/18/646310018.db2.gz GAZXCJIXOUNLCP-HHTDUIENSA-N 2 1 224.392 2.447 20 0 BEADMP CC1CC(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000929780359 646310023 /nfs/dbraw/zinc/31/00/23/646310023.db2.gz GAZXCJIXOUNLCP-HHTDUIENSA-N 2 1 224.392 2.447 20 0 BEADMP C1CCC2(C1)[NH2+]CC[C@H]2[NH2+][C@@H]1CCCSC1 ZINC000925532957 646315155 /nfs/dbraw/zinc/31/51/55/646315155.db2.gz ZNTOQADOADUONW-VXGBXAGGSA-N 2 1 240.416 2.146 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC000929792346 646322544 /nfs/dbraw/zinc/32/25/44/646322544.db2.gz ZIZJWOZUKFQNFS-MOKVOYLWSA-N 2 1 224.392 2.306 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC000929792346 646322546 /nfs/dbraw/zinc/32/25/46/646322546.db2.gz ZIZJWOZUKFQNFS-MOKVOYLWSA-N 2 1 224.392 2.306 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccncc1 ZINC000925543559 646323413 /nfs/dbraw/zinc/32/34/13/646323413.db2.gz VTPZBXDDOHGRPW-TZMCWYRMSA-N 2 1 245.370 2.059 20 0 BEADMP C[C@H]([NH3+])[C@H]([NH2+]CC1(C)CC1)c1ccccc1 ZINC000925577644 646343512 /nfs/dbraw/zinc/34/35/12/646343512.db2.gz VDBRQAQMQIYLQC-AAEUAGOBSA-N 2 1 218.344 2.465 20 0 BEADMP C[C@H]([NH3+])[C@H]([NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000925583776 646346987 /nfs/dbraw/zinc/34/69/87/646346987.db2.gz NIHVXGZXLXPHQL-MJVIPROJSA-N 2 1 218.344 2.463 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)o1 ZINC000925606145 646356827 /nfs/dbraw/zinc/35/68/27/646356827.db2.gz LXPPMICQOZAVJM-ZDUSSCGKSA-N 2 1 234.343 2.005 20 0 BEADMP CC(C)CSCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925624865 646369363 /nfs/dbraw/zinc/36/93/63/646369363.db2.gz DPFHHXXOFFCNLZ-NSHDSACASA-N 2 1 230.421 2.106 20 0 BEADMP Cc1ccsc1CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925628930 646374456 /nfs/dbraw/zinc/37/44/56/646374456.db2.gz HOQKPXXCFAWYOJ-VXGBXAGGSA-N 2 1 238.400 2.329 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCc1cccs1 ZINC000925629276 646375181 /nfs/dbraw/zinc/37/51/81/646375181.db2.gz IKDOCQZAKYUZPX-AAEUAGOBSA-N 2 1 238.400 2.411 20 0 BEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCCS1 ZINC000925635195 646378867 /nfs/dbraw/zinc/37/88/67/646378867.db2.gz PDSRXOZCHRJXAK-GHMZBOCLSA-N 2 1 228.405 2.002 20 0 BEADMP CC[C@@H](CSC)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925636925 646380293 /nfs/dbraw/zinc/38/02/93/646380293.db2.gz WBMMZTKPVNHKSK-QWRGUYRKSA-N 2 1 228.405 2.002 20 0 BEADMP CC[C@@H](CSC)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925636926 646380733 /nfs/dbraw/zinc/38/07/33/646380733.db2.gz WBMMZTKPVNHKSK-WDEREUQCSA-N 2 1 228.405 2.002 20 0 BEADMP C[C@H]([NH3+])[C@@H]([NH2+]CC[C@H]1CCOC1)c1ccccc1 ZINC000925638145 646382451 /nfs/dbraw/zinc/38/24/51/646382451.db2.gz YHAYXACXJYWAPJ-KCQAQPDRSA-N 2 1 248.370 2.091 20 0 BEADMP FC1(CC[NH2+][C@H]2CC[NH2+]C23CCC3)CCC1 ZINC000925671305 646401206 /nfs/dbraw/zinc/40/12/06/646401206.db2.gz BWKXYBCFMKHMGV-NSHDSACASA-N 2 1 226.339 2.143 20 0 BEADMP C[C@@H]([NH3+])[C@@H]([NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000925681302 646409732 /nfs/dbraw/zinc/40/97/32/646409732.db2.gz NIHVXGZXLXPHQL-JTNHKYCSSA-N 2 1 218.344 2.463 20 0 BEADMP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2ncc[nH]2)cc1 ZINC000925699423 646422920 /nfs/dbraw/zinc/42/29/20/646422920.db2.gz ONPSHLDSZTZPMJ-GHMZBOCLSA-N 2 1 244.342 2.280 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000925706271 646430663 /nfs/dbraw/zinc/43/06/63/646430663.db2.gz MSQNGNQCDAFLDT-DOERSZECSA-N 2 1 222.376 2.153 20 0 BEADMP CCSC1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925707634 646433192 /nfs/dbraw/zinc/43/31/92/646433192.db2.gz PMQXAUSWEFJUKN-NSHDSACASA-N 2 1 240.416 2.146 20 0 BEADMP C[C@H](CCCC[NH3+])[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925711829 646436145 /nfs/dbraw/zinc/43/61/45/646436145.db2.gz SJWCDQQVADYOBC-VNHYZAJKSA-N 3 1 249.402 2.182 20 0 BEADMP C[C@H](CCCC[NH3+])N[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925711829 646436150 /nfs/dbraw/zinc/43/61/50/646436150.db2.gz SJWCDQQVADYOBC-VNHYZAJKSA-N 2 1 249.402 2.182 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C)c1c[nH+]ccc1N ZINC000925773445 646472589 /nfs/dbraw/zinc/47/25/89/646472589.db2.gz NSCJXQKZLTWAFZ-NWBUJAPZSA-N 2 1 245.370 2.437 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000925802498 646486851 /nfs/dbraw/zinc/48/68/51/646486851.db2.gz NFXGRBBWVABLHW-RUZUBIRVSA-N 2 1 222.376 2.010 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000925802497 646487075 /nfs/dbraw/zinc/48/70/75/646487075.db2.gz NFXGRBBWVABLHW-GHYVTOPFSA-N 2 1 222.376 2.010 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC000925804585 646488695 /nfs/dbraw/zinc/48/86/95/646488695.db2.gz JXQVHROJBOADDR-QMVSFRDZSA-N 2 1 222.376 2.010 20 0 BEADMP CCC[C@H](O)CC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000925856608 646510957 /nfs/dbraw/zinc/51/09/57/646510957.db2.gz JZFANHMKYTZZQQ-GLQYFDAESA-N 2 1 248.370 2.272 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)C(C)(C)CO ZINC000926456516 646645199 /nfs/dbraw/zinc/64/51/99/646645199.db2.gz IWEJDWZDDGAKIQ-CHWSQXEVSA-N 2 1 244.423 2.103 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)C(C)(C)CO ZINC000926456516 646645203 /nfs/dbraw/zinc/64/52/03/646645203.db2.gz IWEJDWZDDGAKIQ-CHWSQXEVSA-N 2 1 244.423 2.103 20 0 BEADMP CCOC[C@@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000707565409 712175451 /nfs/dbraw/zinc/17/54/51/712175451.db2.gz SUYMAUFROKHINP-CQSZACIVSA-N 2 1 242.407 2.254 20 0 BEADMP C[C@@H](C[N@@H+](C)CCC[NH3+])CC(C)(C)C ZINC000708315135 712186736 /nfs/dbraw/zinc/18/67/36/712186736.db2.gz SRXBGHWLIOQFBY-LLVKDONJSA-N 2 1 200.370 2.339 20 0 BEADMP C[N@@H+](C[C@H]1CC(C)(C)CO1)C1CCC([NH3+])CC1 ZINC000708330007 712187198 /nfs/dbraw/zinc/18/71/98/712187198.db2.gz FSQMDCFETCTSFH-WXRRBKDZSA-N 2 1 240.391 2.003 20 0 BEADMP CCC[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000708503625 712212027 /nfs/dbraw/zinc/21/20/27/712212027.db2.gz XCPLGCPFILZMHB-MCIONIFRSA-N 2 1 224.392 2.354 20 0 BEADMP C[NH2+][C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC000709994884 712238789 /nfs/dbraw/zinc/23/87/89/712238789.db2.gz BBEGETYXIOWLLF-CYBMUJFWSA-N 2 1 222.376 2.251 20 0 BEADMP C[NH2+][C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000709994884 712238791 /nfs/dbraw/zinc/23/87/91/712238791.db2.gz BBEGETYXIOWLLF-CYBMUJFWSA-N 2 1 222.376 2.251 20 0 BEADMP Cl/C=C\C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000379590455 712389962 /nfs/dbraw/zinc/38/99/62/712389962.db2.gz PBJVENMRFVYUCE-VCUMLDNESA-N 2 1 228.767 2.203 20 0 BEADMP Cl/C=C\C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000379590455 712389964 /nfs/dbraw/zinc/38/99/64/712389964.db2.gz PBJVENMRFVYUCE-VCUMLDNESA-N 2 1 228.767 2.203 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000712464925 712430658 /nfs/dbraw/zinc/43/06/58/712430658.db2.gz POHYQIRAUXRQPZ-HTVCTNPSSA-N 2 1 222.376 2.295 20 0 BEADMP C=C/C=C\CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000713691411 712469174 /nfs/dbraw/zinc/46/91/74/712469174.db2.gz BJJDWECBBMIAPC-NTQVKLLNSA-N 2 1 208.349 2.191 20 0 BEADMP C=C/C=C/CC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000713729163 712470843 /nfs/dbraw/zinc/47/08/43/712470843.db2.gz AVBPUGFJUPAANG-OOPCZODUSA-N 2 1 208.349 2.180 20 0 BEADMP C=C/C=C/CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000713741426 712471059 /nfs/dbraw/zinc/47/10/59/712471059.db2.gz UNIIIYURTYLSOC-PYDIIWFVSA-N 2 1 220.360 2.178 20 0 BEADMP C[C@@]1(C[NH3+])CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714921496 712499754 /nfs/dbraw/zinc/49/97/54/712499754.db2.gz ZEKKKAICNKDVIN-RDBSUJKOSA-N 2 1 222.376 2.093 20 0 BEADMP CCC1([NH3+])CC[NH+](Cc2ccsc2)CC1 ZINC000714756705 712497943 /nfs/dbraw/zinc/49/79/43/712497943.db2.gz MEWDNCMZIOULFK-UHFFFAOYSA-N 2 1 224.373 2.451 20 0 BEADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1cccs1 ZINC000717310733 712646403 /nfs/dbraw/zinc/64/64/03/712646403.db2.gz UQRMSDXKSGBDSZ-VIFPVBQESA-N 2 1 246.326 2.083 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)C(C)C ZINC000037484317 712650781 /nfs/dbraw/zinc/65/07/81/712650781.db2.gz VKYVUPSRQKSDCK-QWHCGFSZSA-N 2 1 212.381 2.352 20 0 BEADMP CCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000037484312 712650949 /nfs/dbraw/zinc/65/09/49/712650949.db2.gz GALKURQDIPGZHO-OLZOCXBDSA-N 2 1 212.381 2.497 20 0 BEADMP CC1(C)CC[C@H]([NH2+]CC[NH3+])c2ccccc21 ZINC000037712724 712745040 /nfs/dbraw/zinc/74/50/40/712745040.db2.gz MOPCGOZNIOGCGH-ZDUSSCGKSA-N 2 1 218.344 2.347 20 0 BEADMP COCC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000718662711 712776835 /nfs/dbraw/zinc/77/68/35/712776835.db2.gz AOJCHHBGBCNLRM-QWHCGFSZSA-N 2 1 242.407 2.121 20 0 BEADMP CCCCC[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720809506 712867350 /nfs/dbraw/zinc/86/73/50/712867350.db2.gz ZVYWWTYZEJTZFG-VHSXEESVSA-N 2 1 238.297 2.246 20 0 BEADMP C(C1CCCCC1)[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000720901493 712875980 /nfs/dbraw/zinc/87/59/80/712875980.db2.gz CBAROVKYMBOSLS-KBPBESRZSA-N 2 1 222.376 2.393 20 0 BEADMP C(C1CCCCC1)[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000720901493 712875981 /nfs/dbraw/zinc/87/59/81/712875981.db2.gz CBAROVKYMBOSLS-KBPBESRZSA-N 2 1 222.376 2.393 20 0 BEADMP C[NH+](C)[C@@H](C[NH2+]C1CC2(CCC2)C1)C1CC1 ZINC000381712180 710682719 /nfs/dbraw/zinc/68/27/19/710682719.db2.gz KLTILZRYBSZUPK-ZDUSSCGKSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1SCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000381825928 710724986 /nfs/dbraw/zinc/72/49/86/710724986.db2.gz MHNOWAFARQPAGV-ZZIFITQXSA-N 2 1 240.416 2.095 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000723119093 710726379 /nfs/dbraw/zinc/72/63/79/710726379.db2.gz WPJIOWAVRJUGPP-VOAKCMCISA-N 2 1 210.365 2.092 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000382099357 710776216 /nfs/dbraw/zinc/77/62/16/710776216.db2.gz BEMFWOOQCJTESA-OLZOCXBDSA-N 2 1 242.432 2.204 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCC1CCCC1 ZINC000396717298 710907186 /nfs/dbraw/zinc/90/71/86/710907186.db2.gz RTZZETOJAYJVIT-DGCLKSJQSA-N 2 1 210.365 2.297 20 0 BEADMP Cc1ccccc1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000385621028 711016641 /nfs/dbraw/zinc/01/66/41/711016641.db2.gz QFEBPGWMLUAOMJ-ZVDSWSACSA-N 2 1 242.366 2.081 20 0 BEADMP C[N@@H+](C[C@@H]([NH3+])CC(F)F)C1CC(C)(C)C1 ZINC000395467797 711211158 /nfs/dbraw/zinc/21/11/58/711211158.db2.gz SOWSDUWJGOUUGH-QMMMGPOBSA-N 2 1 220.307 2.089 20 0 BEADMP C[N@@H+](C[C@]1(C)CCC[NH2+]C1)C1CC(C)(C)C1 ZINC000395458741 711212280 /nfs/dbraw/zinc/21/22/80/711212280.db2.gz DCXKFVCCBOJNGD-CQSZACIVSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCc1ccccc1 ZINC000396552649 711353516 /nfs/dbraw/zinc/35/35/16/711353516.db2.gz PHEQUDJHQQWQSG-DZGCQCFKSA-N 2 1 232.371 2.349 20 0 BEADMP CSC1(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)CCC1 ZINC000396541581 711353673 /nfs/dbraw/zinc/35/36/73/711353673.db2.gz ATDKCCVTFAWOSI-WDEREUQCSA-N 2 1 228.405 2.002 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccccc1F ZINC000396539651 711353703 /nfs/dbraw/zinc/35/37/03/711353703.db2.gz ACEJQUKJAVSSPS-SMDDNHRTSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1cccs1 ZINC000396548839 711353720 /nfs/dbraw/zinc/35/37/20/711353720.db2.gz DDXSYJKROMJPHO-JQWIXIFHSA-N 2 1 224.373 2.021 20 0 BEADMP Cc1ccccc1CC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396566357 711355695 /nfs/dbraw/zinc/35/56/95/711355695.db2.gz VVHMUSNIHGWIGZ-ZFWWWQNUSA-N 2 1 232.371 2.268 20 0 BEADMP CCC1(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CCC1 ZINC000396638443 711356033 /nfs/dbraw/zinc/35/60/33/711356033.db2.gz AMJMHTPWXQKBLL-VXGBXAGGSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CC12CCCC2 ZINC000396589146 711357441 /nfs/dbraw/zinc/35/74/41/711357441.db2.gz BLYKYBIXJRVIBE-TUAOUCFPSA-N 2 1 208.349 2.049 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccsc1 ZINC000396592440 711359710 /nfs/dbraw/zinc/35/97/10/711359710.db2.gz UFTDPAXSQGAJDH-JQWIXIFHSA-N 2 1 224.373 2.021 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000396726039 711369163 /nfs/dbraw/zinc/36/91/63/711369163.db2.gz WDNQANXTSQJNOB-YGRLFVJLSA-N 2 1 222.376 2.153 20 0 BEADMP C[NH2+]CCC[N@@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC000399262834 711426038 /nfs/dbraw/zinc/42/60/38/711426038.db2.gz PQMUJGDFTHYXPC-SECBINFHSA-N 2 1 239.190 2.112 20 0 BEADMP CSC(C)(C)CC[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392290031 711144603 /nfs/dbraw/zinc/14/46/03/711144603.db2.gz JEQBYJDKCHCUJA-UHFFFAOYSA-N 2 1 242.432 2.370 20 0 BEADMP CC[C@@H]1C[N@@H+](CCCC2CC2)CC[C@H]1[NH3+] ZINC000394569083 711195066 /nfs/dbraw/zinc/19/50/66/711195066.db2.gz PDFMDFMPYRTMJC-CHWSQXEVSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396662552 711363691 /nfs/dbraw/zinc/36/36/91/711363691.db2.gz OKANJBCXBRHBHB-CYDGBPFRSA-N 2 1 210.365 2.295 20 0 BEADMP CCCC1(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396699216 711365050 /nfs/dbraw/zinc/36/50/50/711365050.db2.gz KNEFBDQJVKDCMM-VXGBXAGGSA-N 2 1 210.365 2.297 20 0 BEADMP C[N@@H+](CCC(C)(C)C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000399687039 711433848 /nfs/dbraw/zinc/43/38/48/711433848.db2.gz TXCMATGXAIYAQA-NEPJUHHUSA-N 2 1 212.381 2.482 20 0 BEADMP C[N@@H+](CCC[NH3+])C[C@H]1CCCC(C)(C)C1 ZINC000390433282 711512375 /nfs/dbraw/zinc/51/23/75/711512375.db2.gz AYQUHSZTVYOTTN-LBPRGKRZSA-N 2 1 212.381 2.483 20 0 BEADMP [NH3+]CC[C@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000723713943 711535928 /nfs/dbraw/zinc/53/59/28/711535928.db2.gz XSYUVDCQQFZHEX-SZTZYQKNSA-N 2 1 230.355 2.371 20 0 BEADMP C=C/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723886940 711543367 /nfs/dbraw/zinc/54/33/67/711543367.db2.gz OLSQSLPGCQMBPU-DIABFLQPSA-N 2 1 208.349 2.035 20 0 BEADMP CCC[C@H](C)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723900628 711544283 /nfs/dbraw/zinc/54/42/83/711544283.db2.gz KWZRJIUGWUSWIZ-YNEHKIRRSA-N 2 1 212.381 2.339 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1CC[NH3+] ZINC000723893995 711544443 /nfs/dbraw/zinc/54/44/43/711544443.db2.gz IAQYBSYHPHHYKS-GRYCIOLGSA-N 2 1 246.345 2.339 20 0 BEADMP CC(C)=CCC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723891316 711544468 /nfs/dbraw/zinc/54/44/68/711544468.db2.gz LQCBNGAWZXBQTF-CHWSQXEVSA-N 2 1 210.365 2.259 20 0 BEADMP C[C@@H]1C[N@@H+](CCCCCF)C[C@H]1CC[NH3+] ZINC000723907430 711544934 /nfs/dbraw/zinc/54/49/34/711544934.db2.gz BWJWLOBSRPORRB-VXGBXAGGSA-N 2 1 216.344 2.043 20 0 BEADMP CC[N@H+](Cc1ccoc1)CC1CC[NH+](C)CC1 ZINC000891901873 711557581 /nfs/dbraw/zinc/55/75/81/711557581.db2.gz HJUQRCZQARXGLG-UHFFFAOYSA-N 2 1 236.359 2.443 20 0 BEADMP CC(C)[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000252868840 711650960 /nfs/dbraw/zinc/65/09/60/711650960.db2.gz RRBARWFKRLEQNM-ZIAGYGMSSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@H](Cc1ccco1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925604852 711705003 /nfs/dbraw/zinc/70/50/03/711705003.db2.gz AUZFTLWTICUOQQ-YPMHNXCESA-N 2 1 234.343 2.085 20 0 BEADMP C[C@@H](c1ccccn1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439927 711714048 /nfs/dbraw/zinc/71/40/48/711714048.db2.gz YNZAYMWZQSUWNM-MELADBBJSA-N 2 1 245.370 2.026 20 0 BEADMP C[C@@H](c1ccccn1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931439927 711714050 /nfs/dbraw/zinc/71/40/50/711714050.db2.gz YNZAYMWZQSUWNM-MELADBBJSA-N 2 1 245.370 2.026 20 0 BEADMP C[C@@H](c1ccccn1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931439927 711714051 /nfs/dbraw/zinc/71/40/51/711714051.db2.gz YNZAYMWZQSUWNM-MELADBBJSA-N 2 1 245.370 2.026 20 0 BEADMP C(C1CCCCC1)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000257643766 711720996 /nfs/dbraw/zinc/72/09/96/711720996.db2.gz BNAPVEQNMGNZDY-CQSZACIVSA-N 2 1 222.376 2.395 20 0 BEADMP C[C@H](c1ccncc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257662238 711724433 /nfs/dbraw/zinc/72/44/33/711724433.db2.gz CCFJQVFDZZJLNH-CYBMUJFWSA-N 2 1 245.370 2.218 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]3CCC[C@@H]32)C1 ZINC000227802610 711832924 /nfs/dbraw/zinc/83/29/24/711832924.db2.gz NZSLPMSNWYSLSQ-FQUUOJAGSA-N 2 1 222.376 2.378 20 0 BEADMP COC[C@@H](C[N@@H+](C)CC[C@H]([NH3+])C(C)C)C(C)C ZINC000721959943 711948358 /nfs/dbraw/zinc/94/83/58/711948358.db2.gz IVTUIRIOILTHJF-KGLIPLIRSA-N 2 1 244.423 2.210 20 0 BEADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H](C)CC(C)(C)C ZINC000709184512 711978155 /nfs/dbraw/zinc/97/81/55/711978155.db2.gz AURAOYAZGZJFNJ-ZDUSSCGKSA-N 2 1 244.423 2.227 20 0 BEADMP CC[C@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000700239999 711988252 /nfs/dbraw/zinc/98/82/52/711988252.db2.gz ZLVFKYMPDKSVLD-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@]1(C)CC1(C)C ZINC000701943819 712032717 /nfs/dbraw/zinc/03/27/17/712032717.db2.gz LPQWDNSXZOUIJP-GMXVVIOVSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1(Cl)CC1 ZINC000702253501 712041501 /nfs/dbraw/zinc/04/15/01/712041501.db2.gz AEKLUQZNDFZDEC-GHMZBOCLSA-N 2 1 230.783 2.078 20 0 BEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCCC1CC1)C2 ZINC000702584660 712055957 /nfs/dbraw/zinc/05/59/57/712055957.db2.gz UHWQOTGHELDCHP-OKILXGFUSA-N 2 1 222.376 2.108 20 0 BEADMP CC(C)C[C@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000703614532 712081493 /nfs/dbraw/zinc/08/14/93/712081493.db2.gz BNFCCMLWQUSDSD-FRRDWIJNSA-N 2 1 210.365 2.234 20 0 BEADMP CC(C)C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000703614665 712081526 /nfs/dbraw/zinc/08/15/26/712081526.db2.gz CZJUEZCJNPMPLZ-UPJWGTAASA-N 2 1 210.365 2.092 20 0 BEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCc1ccccc1)C2 ZINC000709842178 712229483 /nfs/dbraw/zinc/22/94/83/712229483.db2.gz KMIKMPRUHUCJQS-JYJNAYRXSA-N 2 1 244.382 2.431 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000710511331 712253701 /nfs/dbraw/zinc/25/37/01/712253701.db2.gz VRSSHSHUVXSJGW-LDMBFOFVSA-N 2 1 244.329 2.089 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1CCSC1 ZINC000710704931 712255072 /nfs/dbraw/zinc/25/50/72/712255072.db2.gz FIYJVVNGYHFTBD-LBPRGKRZSA-N 2 1 230.421 2.190 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711417450 712299513 /nfs/dbraw/zinc/29/95/13/712299513.db2.gz VWQFIXDFWMODNR-RYUDHWBXSA-N 2 1 216.344 2.041 20 0 BEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H](CF)C1 ZINC000711417450 712299514 /nfs/dbraw/zinc/29/95/14/712299514.db2.gz VWQFIXDFWMODNR-RYUDHWBXSA-N 2 1 216.344 2.041 20 0 BEADMP C1=C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000711719510 712319596 /nfs/dbraw/zinc/31/95/96/712319596.db2.gz NLZVNXMHPCJCER-BFHYXJOUSA-N 2 1 220.360 2.169 20 0 BEADMP [NH3+]CCC[N@@H+](CCOC1CC1)Cc1ccccc1 ZINC000711766195 712327304 /nfs/dbraw/zinc/32/73/04/712327304.db2.gz RVAQDGWSIFUUBF-UHFFFAOYSA-N 2 1 248.370 2.016 20 0 BEADMP Cc1csc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c1 ZINC000379285795 712372112 /nfs/dbraw/zinc/37/21/12/712372112.db2.gz SPDMJLPQZAGERA-SZZQBSIJSA-N 2 1 248.395 2.143 20 0 BEADMP C=C/C=C\CC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000713734689 712470487 /nfs/dbraw/zinc/47/04/87/712470487.db2.gz LGWNHINBKOSNGU-DHCBQETCSA-N 2 1 208.349 2.322 20 0 BEADMP C=C/C=C/CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000713759884 712472044 /nfs/dbraw/zinc/47/20/44/712472044.db2.gz UHQQLJCLYXIYPE-JKWAOEONSA-N 2 1 220.360 2.193 20 0 BEADMP C=C/C=C/CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000713759884 712472046 /nfs/dbraw/zinc/47/20/46/712472046.db2.gz UHQQLJCLYXIYPE-JKWAOEONSA-N 2 1 220.360 2.193 20 0 BEADMP C=C/C=C\CC[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000713757102 712472049 /nfs/dbraw/zinc/47/20/49/712472049.db2.gz FPZHTRUUYRGFLX-CBZSPVTBSA-N 2 1 248.292 2.188 20 0 BEADMP CC1(C)CCC[C@@H](C[N@H+]2CCC[C@@H](C[NH3+])C2)O1 ZINC000714373039 712484506 /nfs/dbraw/zinc/48/45/06/712484506.db2.gz BDIZJUPVVNTPEK-STQMWFEESA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CCCC(C)(C)O1 ZINC000714374719 712484690 /nfs/dbraw/zinc/48/46/90/712484690.db2.gz NRVRVZLBYLUQPJ-JHJVBQTASA-N 2 1 240.391 2.146 20 0 BEADMP C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)[C@@H]1C[C@H]1C1CC1 ZINC000714799331 712498125 /nfs/dbraw/zinc/49/81/25/712498125.db2.gz IXEIOVSDNMBPJN-FXUDXRNXSA-N 2 1 248.414 2.497 20 0 BEADMP C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)[C@@H]1C[C@H]1C1CC1 ZINC000714799331 712498127 /nfs/dbraw/zinc/49/81/27/712498127.db2.gz IXEIOVSDNMBPJN-FXUDXRNXSA-N 2 1 248.414 2.497 20 0 BEADMP C[NH2+]C[C@H]1CCCC[N@@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000714809349 712498670 /nfs/dbraw/zinc/49/86/70/712498670.db2.gz ARMXBKUYMVIMCG-KFWWJZLASA-N 2 1 236.403 2.497 20 0 BEADMP C[NH2+]C[C@H]1CCCC[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000714809349 712498672 /nfs/dbraw/zinc/49/86/72/712498672.db2.gz ARMXBKUYMVIMCG-KFWWJZLASA-N 2 1 236.403 2.497 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714920699 712499786 /nfs/dbraw/zinc/49/97/86/712499786.db2.gz QCWCBAOFHCHYHT-BNOWGMLFSA-N 2 1 222.376 2.093 20 0 BEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C2 ZINC000714833256 712501286 /nfs/dbraw/zinc/50/12/86/712501286.db2.gz TWHPJPFRFMURGI-QXSJWSMHSA-N 2 1 248.414 2.354 20 0 BEADMP C[C@@H](Cc1ccco1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000036993737 712528842 /nfs/dbraw/zinc/52/88/42/712528842.db2.gz MRJOUFIMPYYTRA-FUDCBSFHSA-N 2 1 248.370 2.425 20 0 BEADMP C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000716629519 712568122 /nfs/dbraw/zinc/56/81/22/712568122.db2.gz WMBHTKJQTPYJPW-MPTQWLOMSA-N 2 1 248.414 2.495 20 0 BEADMP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000716639548 712568346 /nfs/dbraw/zinc/56/83/46/712568346.db2.gz VZPXEEGEBCECHF-FGZZBPHYSA-N 2 1 248.414 2.495 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H]2C)C1 ZINC000379998803 712651722 /nfs/dbraw/zinc/65/17/22/712651722.db2.gz LIUIRKUBVWPABZ-XQQFMLRXSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1cc(C)c([C@H](C)[NH2+]CC[NH3+])cc1C ZINC000037712662 712744666 /nfs/dbraw/zinc/74/46/66/712744666.db2.gz KAEQNZBHBQPFOH-LBPRGKRZSA-N 2 1 206.333 2.221 20 0 BEADMP CC(F)(F)CCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000718571335 712775068 /nfs/dbraw/zinc/77/50/68/712775068.db2.gz MYEXYWJTICATEZ-MNOVXSKESA-N 2 1 232.318 2.106 20 0 BEADMP C[C@@H](c1cccc(F)c1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720651633 712860854 /nfs/dbraw/zinc/86/08/54/712860854.db2.gz GEGQFWABXAAAJG-CORIIIEPSA-N 2 1 248.345 2.428 20 0 BEADMP C[C@@H](c1cccc(F)c1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720651633 712860856 /nfs/dbraw/zinc/86/08/56/712860856.db2.gz GEGQFWABXAAAJG-CORIIIEPSA-N 2 1 248.345 2.428 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC23CCCCC3)C[NH2+]1 ZINC000399013773 958480155 /nfs/dbraw/zinc/48/01/55/958480155.db2.gz ZYMMFMHIIBYHMK-AGIUHOORSA-N 2 1 222.376 2.439 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300952076 959389019 /nfs/dbraw/zinc/38/90/19/959389019.db2.gz OKCHGWJKYFRSME-MNOVXSKESA-N 2 1 232.318 2.093 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](C)C2)C1 ZINC000252438400 959572091 /nfs/dbraw/zinc/57/20/91/959572091.db2.gz AYTUGLYRFRWHKY-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]([NH3+])CCNc1cccc(C2CC2)[nH+]1 ZINC001159780097 964187974 /nfs/dbraw/zinc/18/79/74/964187974.db2.gz PXNCKHNDUIFYOV-SECBINFHSA-N 2 1 205.305 2.108 20 0 BEADMP C[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168313408 964418873 /nfs/dbraw/zinc/41/88/73/964418873.db2.gz BRUIXRFDXKCXNC-PNESKVBLSA-N 2 1 210.365 2.201 20 0 BEADMP CC(C)[N@H+](CC(F)F)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699203634 965805573 /nfs/dbraw/zinc/80/55/73/965805573.db2.gz JDEMOEGGVSKFLI-YOGCLGLASA-N 2 1 246.345 2.493 20 0 BEADMP CC(C)[N@@H+](CC(F)F)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699203634 965805581 /nfs/dbraw/zinc/80/55/81/965805581.db2.gz JDEMOEGGVSKFLI-YOGCLGLASA-N 2 1 246.345 2.493 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)cs1 ZINC001205124201 965888143 /nfs/dbraw/zinc/88/81/43/965888143.db2.gz LIACYQGJVIKDFB-LBPRGKRZSA-N 2 1 224.373 2.370 20 0 BEADMP CC/C=C\CCC[N@@H+]1CCC[C@@H]1C[NH2+]C ZINC001236419062 966420204 /nfs/dbraw/zinc/42/02/04/966420204.db2.gz JRJXZXNDHVPFAD-DSYXLKISSA-N 2 1 210.365 2.417 20 0 BEADMP CC/C=C\CCC[N@H+]1CCC[C@@H]1C[NH2+]C ZINC001236419062 966420210 /nfs/dbraw/zinc/42/02/10/966420210.db2.gz JRJXZXNDHVPFAD-DSYXLKISSA-N 2 1 210.365 2.417 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CC[C@](C)([NH3+])C2)CC1 ZINC001204762774 967154263 /nfs/dbraw/zinc/15/42/63/967154263.db2.gz DFNNKZOISLXKRU-MJBXVCDLSA-N 2 1 222.376 2.402 20 0 BEADMP C[C@@H]1CC[N@@H+](CC(C)(C)C)CC[C@H]1C[NH3+] ZINC001205599960 967716410 /nfs/dbraw/zinc/71/64/10/967716410.db2.gz ATMOFOCWWZEMDQ-NEPJUHHUSA-N 2 1 212.381 2.339 20 0 BEADMP CCCCC[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205984689 967934658 /nfs/dbraw/zinc/93/46/58/967934658.db2.gz UEBGOAMDNHBMQM-STQMWFEESA-N 2 1 212.381 2.483 20 0 BEADMP CCCCC[N@@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC000070584816 1165925379 /nfs/dbraw/zinc/92/53/79/1165925379.db2.gz NQNPKKHVCDLYCJ-ZDUSSCGKSA-N 2 1 210.365 2.393 20 0 BEADMP CCCCC[N@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC000070584816 1165925385 /nfs/dbraw/zinc/92/53/85/1165925385.db2.gz NQNPKKHVCDLYCJ-ZDUSSCGKSA-N 2 1 210.365 2.393 20 0 BEADMP C[N@H+](CC[NH3+])CCC12CC3CC(CC(C3)C1)C2 ZINC000054418615 1165991052 /nfs/dbraw/zinc/99/10/52/1165991052.db2.gz SYWHEOLRXKRJSD-UHFFFAOYSA-N 2 1 236.403 2.483 20 0 BEADMP C[N@@H+](CC[NH3+])CCC12CC3CC(CC(C3)C1)C2 ZINC000054418615 1165991056 /nfs/dbraw/zinc/99/10/56/1165991056.db2.gz SYWHEOLRXKRJSD-UHFFFAOYSA-N 2 1 236.403 2.483 20 0 BEADMP Cc1ccc(C[N@@H+](CC[NH3+])C(C)C)c(C)c1 ZINC000076610458 1166005037 /nfs/dbraw/zinc/00/50/37/1166005037.db2.gz WYEOLVFVIBJEIE-UHFFFAOYSA-N 2 1 220.360 2.473 20 0 BEADMP Cc1ccc(C[N@H+](CC[NH3+])C(C)C)c(C)c1 ZINC000076610458 1166005043 /nfs/dbraw/zinc/00/50/43/1166005043.db2.gz WYEOLVFVIBJEIE-UHFFFAOYSA-N 2 1 220.360 2.473 20 0 BEADMP CCCC[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001120281393 968561335 /nfs/dbraw/zinc/56/13/35/968561335.db2.gz CGCZXNPJCQLYRQ-MJBXVCDLSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+](C)CC(C)(C)C[NH+]1CC2(C1)CCCC2 ZINC001207279318 968712147 /nfs/dbraw/zinc/71/21/47/968712147.db2.gz KIKNXLQZUDNLQX-UHFFFAOYSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@@H]1C[N@H+](Cc2cc(C)cc(C)n2)CC[C@@H]1[NH3+] ZINC000723876597 1166145806 /nfs/dbraw/zinc/14/58/06/1166145806.db2.gz LHFNBQRJCXEPRS-HIFRSBDPSA-N 2 1 247.386 2.258 20 0 BEADMP CC[C@@H]1C[N@@H+](Cc2cc(C)cc(C)n2)CC[C@@H]1[NH3+] ZINC000723876597 1166145809 /nfs/dbraw/zinc/14/58/09/1166145809.db2.gz LHFNBQRJCXEPRS-HIFRSBDPSA-N 2 1 247.386 2.258 20 0 BEADMP CC(C)(C)CCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000300827607 1166149894 /nfs/dbraw/zinc/14/98/94/1166149894.db2.gz HUGPGQRMNYIBTI-LBPRGKRZSA-N 2 1 212.381 2.483 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]CCc2ccccc2F)C[NH2+]1 ZINC000399203738 1166171647 /nfs/dbraw/zinc/17/16/47/1166171647.db2.gz UYZJLSPEIGSIEN-WCQYABFASA-N 2 1 236.334 2.098 20 0 BEADMP CS[C@@H](C)CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001208154753 969080349 /nfs/dbraw/zinc/08/03/49/969080349.db2.gz NREOALQGIJAPMM-XQQFMLRXSA-N 2 1 242.432 2.297 20 0 BEADMP C[N@@H+](CCCC[NH3+])Cc1ccc(F)cc1F ZINC000258946318 1166234439 /nfs/dbraw/zinc/23/44/39/1166234439.db2.gz QVKSQBGDEPQOLB-UHFFFAOYSA-N 2 1 228.286 2.136 20 0 BEADMP C([C@H]1CCC[NH2+]1)[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000227648605 1166239285 /nfs/dbraw/zinc/23/92/85/1166239285.db2.gz DBZSIGILGQEISC-MGPQQGTHSA-N 2 1 222.376 2.251 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]2C)CC1 ZINC001208594211 969150768 /nfs/dbraw/zinc/15/07/68/969150768.db2.gz LNOFXUJPXOTUAJ-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@H+](C)C[C@H]1CCCCO1 ZINC001207285369 1166272859 /nfs/dbraw/zinc/27/28/59/1166272859.db2.gz IITLRCSTTFDZRJ-CYBMUJFWSA-N 2 1 242.407 2.075 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@@H+](C)C[C@H]1CCCCO1 ZINC001207285369 1166272866 /nfs/dbraw/zinc/27/28/66/1166272866.db2.gz IITLRCSTTFDZRJ-CYBMUJFWSA-N 2 1 242.407 2.075 20 0 BEADMP CC/C=C\CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001208726906 969212866 /nfs/dbraw/zinc/21/28/66/969212866.db2.gz DXYOLJINUXRKMC-VSVUCHCSSA-N 2 1 222.376 2.226 20 0 BEADMP CC/C=C\CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001208726906 969212872 /nfs/dbraw/zinc/21/28/72/969212872.db2.gz DXYOLJINUXRKMC-VSVUCHCSSA-N 2 1 222.376 2.226 20 0 BEADMP CC/C=C\CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001208726906 969212880 /nfs/dbraw/zinc/21/28/80/969212880.db2.gz DXYOLJINUXRKMC-VSVUCHCSSA-N 2 1 222.376 2.226 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000228003984 1166379766 /nfs/dbraw/zinc/37/97/66/1166379766.db2.gz VMCUPYHATUBODV-HIFRSBDPSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000228003984 1166379775 /nfs/dbraw/zinc/37/97/75/1166379775.db2.gz VMCUPYHATUBODV-HIFRSBDPSA-N 2 1 232.371 2.473 20 0 BEADMP C[C@@H]1CC[C@@H](n2c[nH+]cc2CC[NH3+])C[C@H]1C ZINC000253138219 1166384780 /nfs/dbraw/zinc/38/47/80/1166384780.db2.gz VBFOLEQOLMWKQJ-IJLUTSLNSA-N 2 1 221.348 2.382 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(C)CCC1)C2 ZINC001169091847 969408219 /nfs/dbraw/zinc/40/82/19/969408219.db2.gz WDPWZMMFRQNXNS-XYYAHUGASA-N 2 1 222.376 2.391 20 0 BEADMP CC[N@@H+](C)C1CC[NH+](C[C@H]2C[C@H]2C)CC1 ZINC001209427108 969494991 /nfs/dbraw/zinc/49/49/91/969494991.db2.gz OKBCGBXLPYYFHP-VXGBXAGGSA-N 2 1 210.365 2.059 20 0 BEADMP C1CCC([N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC000250799740 1166429631 /nfs/dbraw/zinc/42/96/31/1166429631.db2.gz BFQMACKYCOYOOC-GXTWGEPZSA-N 2 1 222.376 2.393 20 0 BEADMP C1CCC([N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC000250799740 1166429634 /nfs/dbraw/zinc/42/96/34/1166429634.db2.gz BFQMACKYCOYOOC-GXTWGEPZSA-N 2 1 222.376 2.393 20 0 BEADMP CCC(CC)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000250788639 1166430879 /nfs/dbraw/zinc/43/08/79/1166430879.db2.gz YCGMGHQKLDRPCR-CLLJXQQHSA-N 2 1 210.365 2.390 20 0 BEADMP CC[NH+]1CCC([NH+]2C3CCC2CC3)CC1 ZINC001169258934 969543101 /nfs/dbraw/zinc/54/31/01/969543101.db2.gz VAGJMVNTEMVJLO-UHFFFAOYSA-N 2 1 208.349 2.098 20 0 BEADMP [NH3+]CCC[C@H]1CCCC[N@H+]([C@H]2CCCOC2)C1 ZINC001254376267 969591585 /nfs/dbraw/zinc/59/15/85/969591585.db2.gz WSHQLFDGDASRQL-KGLIPLIRSA-N 2 1 240.391 2.006 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCSC1)C2 ZINC001255272188 970023627 /nfs/dbraw/zinc/02/36/27/970023627.db2.gz SIVRKQLHBYVSIC-FVCCEPFGSA-N 2 1 240.416 2.097 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCSC1)C2 ZINC001255272188 970023633 /nfs/dbraw/zinc/02/36/33/970023633.db2.gz SIVRKQLHBYVSIC-FVCCEPFGSA-N 2 1 240.416 2.097 20 0 BEADMP [NH3+]CCC[C@@H]1CCCC[N@H+]([C@H]2CCSC2)C1 ZINC001255280327 970034363 /nfs/dbraw/zinc/03/43/63/970034363.db2.gz YYUDMKSOSWSDCI-STQMWFEESA-N 2 1 242.432 2.333 20 0 BEADMP C[N@H+](C1CC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001255295556 970060155 /nfs/dbraw/zinc/06/01/55/970060155.db2.gz ZLBZIIGGDHPINE-ZDUSSCGKSA-N 2 1 240.416 2.051 20 0 BEADMP C[N@@H+](C1CC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001255295556 970060161 /nfs/dbraw/zinc/06/01/61/970060161.db2.gz ZLBZIIGGDHPINE-ZDUSSCGKSA-N 2 1 240.416 2.051 20 0 BEADMP C[C@H]1C[C@@H]([N@@H+](C)CC2CC(F)(F)C2)CC[NH2+]1 ZINC000394748726 1166612850 /nfs/dbraw/zinc/61/28/50/1166612850.db2.gz ZMYXJFDBTQJAJP-ONGXEEELSA-N 2 1 232.318 2.104 20 0 BEADMP C[C@H](CC(F)(F)F)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001255655663 970431530 /nfs/dbraw/zinc/43/15/30/970431530.db2.gz MHRVQDRKBRMJCY-SECBINFHSA-N 2 1 247.264 2.082 20 0 BEADMP C[C@H](CC(F)(F)F)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001255655663 970431532 /nfs/dbraw/zinc/43/15/32/970431532.db2.gz MHRVQDRKBRMJCY-SECBINFHSA-N 2 1 247.264 2.082 20 0 BEADMP C[NH2+]CCC[N@H+](C)Cc1csc(C)c1 ZINC000379533483 1166741018 /nfs/dbraw/zinc/74/10/18/1166741018.db2.gz KDNQKSFZRPOOSD-UHFFFAOYSA-N 2 1 212.362 2.098 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1csc(C)c1 ZINC000379533483 1166741024 /nfs/dbraw/zinc/74/10/24/1166741024.db2.gz KDNQKSFZRPOOSD-UHFFFAOYSA-N 2 1 212.362 2.098 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)C(C)C ZINC001255955104 970586741 /nfs/dbraw/zinc/58/67/41/970586741.db2.gz NZEUJOGZKPPLLW-GFCCVEGCSA-N 2 1 200.370 2.447 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@H]1COC ZINC001255957622 970595966 /nfs/dbraw/zinc/59/59/66/970595966.db2.gz SYATXVJECNJJDJ-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP [NH2+]=CNc1cc(Br)cc2c[nH+]cn21 ZINC001167868730 1166872918 /nfs/dbraw/zinc/87/29/18/1166872918.db2.gz ZAUFLNGKIARAAE-UHFFFAOYSA-N 2 1 239.076 2.116 20 0 BEADMP C[NH+]1CCC([N@H+]2CC[C@@H]3CCC[C@H]3C2)CC1 ZINC001256205057 970704925 /nfs/dbraw/zinc/70/49/25/970704925.db2.gz VKGULSPKSARELR-STQMWFEESA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C1CCC2(CC2)CC1 ZINC000710198306 1166988089 /nfs/dbraw/zinc/98/80/89/1166988089.db2.gz DNDJXRGOJHUXBG-ZYHUDNBSSA-N 2 1 208.349 2.131 20 0 BEADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC001167949403 1167006011 /nfs/dbraw/zinc/00/60/11/1167006011.db2.gz WWQTWCMGXFKSCW-SBAKFKMJSA-N 2 1 234.387 2.059 20 0 BEADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC001167949403 1167006017 /nfs/dbraw/zinc/00/60/17/1167006017.db2.gz WWQTWCMGXFKSCW-SBAKFKMJSA-N 2 1 234.387 2.059 20 0 BEADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC001167949403 1167006022 /nfs/dbraw/zinc/00/60/22/1167006022.db2.gz WWQTWCMGXFKSCW-SBAKFKMJSA-N 2 1 234.387 2.059 20 0 BEADMP CCSC[C@@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001173306733 975211689 /nfs/dbraw/zinc/21/16/89/975211689.db2.gz PYPRCPMWRXDUKJ-GFCCVEGCSA-N 2 1 244.448 2.402 20 0 BEADMP C[NH+](C)CCNc1cc(OC(C)(C)C)cc[nH+]1 ZINC001161672687 1167108948 /nfs/dbraw/zinc/10/89/48/1167108948.db2.gz BBANQMSEAVORBS-UHFFFAOYSA-N 2 1 237.347 2.232 20 0 BEADMP CCC[C@H](C)[N@@H+](C)C[C@H](C[NH3+])C(C)C ZINC000251355473 1167135049 /nfs/dbraw/zinc/13/50/49/1167135049.db2.gz RLLBTDJMDAJQOX-RYUDHWBXSA-N 2 1 200.370 2.338 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C[C@H]1C ZINC000310463325 1167157726 /nfs/dbraw/zinc/15/77/26/1167157726.db2.gz YNNCZNPMVCRISH-UMBPPFEGSA-N 2 1 236.403 2.480 20 0 BEADMP C1CCC2(C1)CC[N@H+](C1CC[NH2+]CC1)C2 ZINC000308926567 1167222655 /nfs/dbraw/zinc/22/26/55/1167222655.db2.gz MJQUFDVJXWIAMV-UHFFFAOYSA-N 2 1 208.349 2.005 20 0 BEADMP CSCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000308965593 1167227741 /nfs/dbraw/zinc/22/77/41/1167227741.db2.gz VIRZNEKWQAFYLR-GRYCIOLGSA-N 2 1 230.421 2.058 20 0 BEADMP CSCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000308965593 1167227747 /nfs/dbraw/zinc/22/77/47/1167227747.db2.gz VIRZNEKWQAFYLR-GRYCIOLGSA-N 2 1 230.421 2.058 20 0 BEADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C1CCCC1 ZINC000309032284 1167243021 /nfs/dbraw/zinc/24/30/21/1167243021.db2.gz FOUQPWHXOJIDTJ-QWHCGFSZSA-N 2 1 210.365 2.391 20 0 BEADMP CCCC[C@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000309023472 1167240309 /nfs/dbraw/zinc/24/03/09/1167240309.db2.gz WKZALUMOPUXKMZ-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H]2C)C1 ZINC000309037572 1167243677 /nfs/dbraw/zinc/24/36/77/1167243677.db2.gz JCAMUXYHBAEEDR-XQQFMLRXSA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H]2C)C1 ZINC000309037571 1167244809 /nfs/dbraw/zinc/24/48/09/1167244809.db2.gz JCAMUXYHBAEEDR-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC000309072649 1167248009 /nfs/dbraw/zinc/24/80/09/1167248009.db2.gz GHSKHUYQEIPJOT-CHWSQXEVSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)[C@H](C[NH3+])C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000385505078 1167393363 /nfs/dbraw/zinc/39/33/63/1167393363.db2.gz LOWIRHOQTCDEET-VXGBXAGGSA-N 2 1 212.381 2.338 20 0 BEADMP CC(C)[C@@H](C[NH3+])C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000385505073 1167393989 /nfs/dbraw/zinc/39/39/89/1167393989.db2.gz LOWIRHOQTCDEET-NEPJUHHUSA-N 2 1 212.381 2.338 20 0 BEADMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000348935887 1167428350 /nfs/dbraw/zinc/42/83/50/1167428350.db2.gz QMWSZCMPLBALGS-GFCCVEGCSA-N 2 1 212.381 2.449 20 0 BEADMP C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000147192529 1167438729 /nfs/dbraw/zinc/43/87/29/1167438729.db2.gz HLTSXIQQDWKWBM-QKDCVEJESA-N 2 1 230.355 2.401 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C)[C@H](C)C2)C1 ZINC000251990284 1167468615 /nfs/dbraw/zinc/46/86/15/1167468615.db2.gz ZGUMAYXONPMNFO-RFQIPJPRSA-N 2 1 224.392 2.352 20 0 BEADMP CC[C@H](C)[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001175444504 977431594 /nfs/dbraw/zinc/43/15/94/977431594.db2.gz KTFCDPKJMPUJNT-FQUUOJAGSA-N 2 1 224.392 2.447 20 0 BEADMP CC[C@H](C)[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001175444504 977431605 /nfs/dbraw/zinc/43/16/05/977431605.db2.gz KTFCDPKJMPUJNT-FQUUOJAGSA-N 2 1 224.392 2.447 20 0 BEADMP CC[C@H](C)[C@H](C)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC001175444504 977431587 /nfs/dbraw/zinc/43/15/87/977431587.db2.gz KTFCDPKJMPUJNT-FQUUOJAGSA-N 2 1 224.392 2.447 20 0 BEADMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001232012171 977840682 /nfs/dbraw/zinc/84/06/82/977840682.db2.gz UQLBXUVMJJQPIS-UHFFFAOYSA-N 2 1 201.273 2.157 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+]([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168403709 1167653891 /nfs/dbraw/zinc/65/38/91/1167653891.db2.gz JMZWNFIBOCUYSI-LSDHHAIUSA-N 2 1 248.345 2.106 20 0 BEADMP [NH3+][C@H]1CCC[N@H+]([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168403709 1167653896 /nfs/dbraw/zinc/65/38/96/1167653896.db2.gz JMZWNFIBOCUYSI-LSDHHAIUSA-N 2 1 248.345 2.106 20 0 BEADMP CCC[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000386447804 1167711578 /nfs/dbraw/zinc/71/15/78/1167711578.db2.gz NOQPGYYVJCPPHF-QNMSZWNNSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]1CC[N@H+](CC[C@H]2COC(C)(C)[NH2+]2)[C@@H](C)C1 ZINC001235820722 979157524 /nfs/dbraw/zinc/15/75/24/979157524.db2.gz UCCOJWSIDUCFCK-AGIUHOORSA-N 2 1 240.391 2.221 20 0 BEADMP C[C@@H]1CC[N@@H+](CC[C@H]2COC(C)(C)[NH2+]2)[C@@H](C)C1 ZINC001235820722 979157534 /nfs/dbraw/zinc/15/75/34/979157534.db2.gz UCCOJWSIDUCFCK-AGIUHOORSA-N 2 1 240.391 2.221 20 0 BEADMP [NH3+]CCCC[N@H+]1CCOC[C@H]1C1CCCCC1 ZINC001236432610 1168226173 /nfs/dbraw/zinc/22/61/73/1168226173.db2.gz ACQXYQFTYUEPBQ-AWEZNQCLSA-N 2 1 240.391 2.006 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1ccccn1 ZINC000086817249 1168312221 /nfs/dbraw/zinc/31/22/21/1168312221.db2.gz PKUFLGTTXDKMFZ-QWHCGFSZSA-N 2 1 233.359 2.217 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccccn1 ZINC000086817249 1168312228 /nfs/dbraw/zinc/31/22/28/1168312228.db2.gz PKUFLGTTXDKMFZ-QWHCGFSZSA-N 2 1 233.359 2.217 20 0 BEADMP CC[C@H]([NH3+])C[N@H+](C)CCc1ccc(F)cc1 ZINC001236858275 979763852 /nfs/dbraw/zinc/76/38/52/979763852.db2.gz AQKXWEOGXHHUBL-ZDUSSCGKSA-N 2 1 224.323 2.037 20 0 BEADMP CC[C@H]([NH3+])C[N@@H+](C)CCc1ccc(F)cc1 ZINC001236858275 979763855 /nfs/dbraw/zinc/76/38/55/979763855.db2.gz AQKXWEOGXHHUBL-ZDUSSCGKSA-N 2 1 224.323 2.037 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CCCOCC1 ZINC001170840337 1168606527 /nfs/dbraw/zinc/60/65/27/1168606527.db2.gz MFQFLFMQAXVQIW-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC(C)(C)C1 ZINC001246648339 1168657490 /nfs/dbraw/zinc/65/74/90/1168657490.db2.gz WPNCAVJSHJVQDL-UHXUPSOCSA-N 2 1 222.376 2.234 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC(C)(C)C1 ZINC001246648339 1168657493 /nfs/dbraw/zinc/65/74/93/1168657493.db2.gz WPNCAVJSHJVQDL-UHXUPSOCSA-N 2 1 222.376 2.234 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccccc1F ZINC001348851717 981458714 /nfs/dbraw/zinc/45/87/14/981458714.db2.gz GEPURRBEPWPYON-WDEREUQCSA-N 2 1 224.323 2.474 20 0 BEADMP CCC[C@H](C)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001201542918 983301906 /nfs/dbraw/zinc/30/19/06/983301906.db2.gz MYSAHGCEGIKMII-MJBXVCDLSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[C@H](C)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001201542918 983301914 /nfs/dbraw/zinc/30/19/14/983301914.db2.gz MYSAHGCEGIKMII-MJBXVCDLSA-N 2 1 224.392 2.306 20 0 BEADMP CCC[C@H](C)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001201542918 983301925 /nfs/dbraw/zinc/30/19/25/983301925.db2.gz MYSAHGCEGIKMII-MJBXVCDLSA-N 2 1 224.392 2.306 20 0 BEADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001258050135 1169131026 /nfs/dbraw/zinc/13/10/26/1169131026.db2.gz BKPBOBWWVZKDJI-MELADBBJSA-N 2 1 242.407 2.107 20 0 BEADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001258050135 1169131032 /nfs/dbraw/zinc/13/10/32/1169131032.db2.gz BKPBOBWWVZKDJI-MELADBBJSA-N 2 1 242.407 2.107 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCC1CCC1 ZINC000689071997 1169169124 /nfs/dbraw/zinc/16/91/24/1169169124.db2.gz WNUFUCIVSILLBJ-AAEUAGOBSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000339211249 984020659 /nfs/dbraw/zinc/02/06/59/984020659.db2.gz GUJCFSZJSRVAHS-RDBSUJKOSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1CC[C@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000339211249 984020668 /nfs/dbraw/zinc/02/06/68/984020668.db2.gz GUJCFSZJSRVAHS-RDBSUJKOSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1CC[C@H]([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000339211249 984020680 /nfs/dbraw/zinc/02/06/80/984020680.db2.gz GUJCFSZJSRVAHS-RDBSUJKOSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+]2CC3CCC2CC3)CC[NH2+]1 ZINC000379821951 1169232643 /nfs/dbraw/zinc/23/26/43/1169232643.db2.gz USQHSHGRBINMBA-XVSSEFHLSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CC3CCC2CC3)CC[NH2+]1 ZINC000379821951 1169232648 /nfs/dbraw/zinc/23/26/48/1169232648.db2.gz USQHSHGRBINMBA-XVSSEFHLSA-N 2 1 208.349 2.001 20 0 BEADMP CC[C@@H]1CC[C@H]([N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)C1 ZINC001246575126 972875056 /nfs/dbraw/zinc/87/50/56/972875056.db2.gz ZQUKMGZOXRBUPA-VOAKCMCISA-N 2 1 228.355 2.326 20 0 BEADMP CC[C@@H]1CC[C@H]([N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)C1 ZINC001246575126 972875060 /nfs/dbraw/zinc/87/50/60/972875060.db2.gz ZQUKMGZOXRBUPA-VOAKCMCISA-N 2 1 228.355 2.326 20 0 BEADMP CSCC[C@H](C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246933134 973591452 /nfs/dbraw/zinc/59/14/52/973591452.db2.gz QQMMEJKBCNSAJL-RWMBFGLXSA-N 2 1 242.432 2.059 20 0 BEADMP CC(C)CC[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001256371308 970786142 /nfs/dbraw/zinc/78/61/42/970786142.db2.gz MZYFRFWMWRKWSU-MELADBBJSA-N 2 1 224.392 2.305 20 0 BEADMP CC(C)CC[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001256371308 970786159 /nfs/dbraw/zinc/78/61/59/970786159.db2.gz MZYFRFWMWRKWSU-MELADBBJSA-N 2 1 224.392 2.305 20 0 BEADMP CC(C)[N@@H+](CCC[NH3+])[C@@H](C)Cc1ccccn1 ZINC001256396863 970803123 /nfs/dbraw/zinc/80/31/23/970803123.db2.gz LVDWGPMCAFNWNO-ZDUSSCGKSA-N 2 1 235.375 2.072 20 0 BEADMP C[C@H](Cc1ccccn1)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001256399648 970805381 /nfs/dbraw/zinc/80/53/81/970805381.db2.gz QPVZLZAONYSICO-DNOWBOINSA-N 2 1 247.386 2.214 20 0 BEADMP C[C@H]1C[C@H](NC=[NH2+])CC[N@H+]1Cc1ccccc1 ZINC001256523197 970856952 /nfs/dbraw/zinc/85/69/52/970856952.db2.gz NKWUVTBBYQAROC-GXTWGEPZSA-N 2 1 231.343 2.236 20 0 BEADMP C[C@H]1C[C@@H](NC=[NH2+])CC[N@H+]1Cc1ccccc1 ZINC001256523199 970857022 /nfs/dbraw/zinc/85/70/22/970857022.db2.gz NKWUVTBBYQAROC-JSGCOSHPSA-N 2 1 231.343 2.236 20 0 BEADMP CCC[C@H](C)C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403136478 970881762 /nfs/dbraw/zinc/88/17/62/970881762.db2.gz BWWZNONVSCAWDX-WDEREUQCSA-N 2 1 234.334 2.339 20 0 BEADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1C ZINC001256614696 970878536 /nfs/dbraw/zinc/87/85/36/970878536.db2.gz ICUHNMGOUVOPHY-AGUYFDCRSA-N 2 1 247.386 2.048 20 0 BEADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1C ZINC001256614696 970878541 /nfs/dbraw/zinc/87/85/41/970878541.db2.gz ICUHNMGOUVOPHY-AGUYFDCRSA-N 2 1 247.386 2.048 20 0 BEADMP [NH3+]C[C@H]1C[N@@H+](CC2CCCC2)CCC1(F)F ZINC000403199492 970892667 /nfs/dbraw/zinc/89/26/67/970892667.db2.gz ZFGVHFLDKSCUBY-NSHDSACASA-N 2 1 232.318 2.093 20 0 BEADMP CC(C)[N@@H+](CCC[NH3+])[C@H](C)Cc1ccncc1 ZINC001256718421 970936718 /nfs/dbraw/zinc/93/67/18/970936718.db2.gz IPJVXKSDKPNBMT-CYBMUJFWSA-N 2 1 235.375 2.072 20 0 BEADMP C[C@@H](Cc1ccncc1)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001256721750 970941905 /nfs/dbraw/zinc/94/19/05/970941905.db2.gz UTTNUTXIDOGEHI-DZGCQCFKSA-N 2 1 247.386 2.087 20 0 BEADMP CC(C)(C[NH3+])[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256787708 970987094 /nfs/dbraw/zinc/98/70/94/970987094.db2.gz WQHMXFWNNFIMJG-UONOGXRCSA-N 2 1 248.370 2.234 20 0 BEADMP C[C@H]1CC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256857836 970998043 /nfs/dbraw/zinc/99/80/43/970998043.db2.gz WSALNIDREQJIET-ZDUSSCGKSA-N 2 1 245.370 2.392 20 0 BEADMP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000403637634 970998359 /nfs/dbraw/zinc/99/83/59/970998359.db2.gz GRURIJOKTYXMRO-QLFBSQMISA-N 2 1 248.414 2.498 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC=C(Cl)Cl)C[C@@H]21 ZINC000403636645 971000411 /nfs/dbraw/zinc/00/04/11/971000411.db2.gz OIXYPFWDIQVCOC-LPEHRKFASA-N 2 1 249.185 2.365 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC=C(Cl)Cl)C[C@@H]21 ZINC000403636645 971000422 /nfs/dbraw/zinc/00/04/22/971000422.db2.gz OIXYPFWDIQVCOC-LPEHRKFASA-N 2 1 249.185 2.365 20 0 BEADMP CNc1cc(-n2c(N)[nH+]c3ccccc32)cc[nH+]1 ZINC001216330984 971040839 /nfs/dbraw/zinc/04/08/39/971040839.db2.gz HQYFYXOHPNHHCE-UHFFFAOYSA-N 2 1 239.282 2.044 20 0 BEADMP CC[C@H]1C[N@@H+](CCCCCCC[NH3+])[C@H](C)CO1 ZINC000403915624 971088013 /nfs/dbraw/zinc/08/80/13/971088013.db2.gz OPDNKBAPYNHXIM-KGLIPLIRSA-N 2 1 242.407 2.395 20 0 BEADMP CC(C)[NH+]1CCC([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC1 ZINC001257222085 971134043 /nfs/dbraw/zinc/13/40/43/971134043.db2.gz SEEKYIXWJAHKPG-UBHSHLNASA-N 2 1 240.366 2.292 20 0 BEADMP CC(C)[NH+]1CCC([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC1 ZINC001257222085 971134052 /nfs/dbraw/zinc/13/40/52/971134052.db2.gz SEEKYIXWJAHKPG-UBHSHLNASA-N 2 1 240.366 2.292 20 0 BEADMP CCC[C@@H](CC)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001257250305 971143623 /nfs/dbraw/zinc/14/36/23/971143623.db2.gz YPJJDEBHGRGRKE-CQSZACIVSA-N 3 1 243.439 2.168 20 0 BEADMP CCC[C@@H](CC)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001257250305 971143627 /nfs/dbraw/zinc/14/36/27/971143627.db2.gz YPJJDEBHGRGRKE-CQSZACIVSA-N 3 1 243.439 2.168 20 0 BEADMP CC(C)O[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000404676147 971177316 /nfs/dbraw/zinc/17/73/16/971177316.db2.gz XZAQFLARIWEKBQ-AWEZNQCLSA-N 2 1 240.391 2.018 20 0 BEADMP CCC(CC)[N@H+]1CCn2c(cnc2C)C1 ZINC001257296579 971183765 /nfs/dbraw/zinc/18/37/65/971183765.db2.gz MZIACMIEWKNZJX-UHFFFAOYSA-N 2 1 207.321 2.196 20 0 BEADMP CCC(CC)N1CCn2c(cnc2C)C1 ZINC001257296579 971183766 /nfs/dbraw/zinc/18/37/66/971183766.db2.gz MZIACMIEWKNZJX-UHFFFAOYSA-N 2 1 207.321 2.196 20 0 BEADMP C[C@]1(C[NH+]2CCC(F)(F)CC2)CCC[NH2+]C1 ZINC000405054098 971189733 /nfs/dbraw/zinc/18/97/33/971189733.db2.gz JXGXJCSVSJDGLR-NSHDSACASA-N 2 1 232.318 2.107 20 0 BEADMP CCC[C@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001257321130 971222721 /nfs/dbraw/zinc/22/27/21/971222721.db2.gz YRIZVRAFIVSCAM-XQQFMLRXSA-N 2 1 210.365 2.059 20 0 BEADMP CCC[C@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001257321130 971222737 /nfs/dbraw/zinc/22/27/37/971222737.db2.gz YRIZVRAFIVSCAM-XQQFMLRXSA-N 2 1 210.365 2.059 20 0 BEADMP CCC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001257321130 971222742 /nfs/dbraw/zinc/22/27/42/971222742.db2.gz YRIZVRAFIVSCAM-XQQFMLRXSA-N 2 1 210.365 2.059 20 0 BEADMP CCC[C@H](C)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001257324905 971228522 /nfs/dbraw/zinc/22/85/22/971228522.db2.gz WUEUTYRHXVAGGU-YNEHKIRRSA-N 2 1 210.365 2.059 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@](C)([NH3+])C2)c(C)c1 ZINC000405856476 971315142 /nfs/dbraw/zinc/31/51/42/971315142.db2.gz OGMMPARDSKTTPB-AWEZNQCLSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@](C)([NH3+])C2)c(C)c1 ZINC000405856476 971315148 /nfs/dbraw/zinc/31/51/48/971315148.db2.gz OGMMPARDSKTTPB-AWEZNQCLSA-N 2 1 218.344 2.227 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H](C)CC ZINC001257446967 971362488 /nfs/dbraw/zinc/36/24/88/971362488.db2.gz UUMXSHCLZSPHGI-LBPRGKRZSA-N 2 1 200.370 2.449 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170714985 971633931 /nfs/dbraw/zinc/63/39/31/971633931.db2.gz CTOMLUHINZCEOK-BTTYYORXSA-N 2 1 236.403 2.495 20 0 BEADMP N[C@@H]1CC[N@@H+](C[C@@H]2CC=CCC2)CC[C@@H]1F ZINC001206155565 974327533 /nfs/dbraw/zinc/32/75/33/974327533.db2.gz MGGVDBYUVHOCRS-FRRDWIJNSA-N 2 1 226.339 2.104 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](C[C@@H]2CC=CCC2)CC[C@@H]1F ZINC001206155565 974327544 /nfs/dbraw/zinc/32/75/44/974327544.db2.gz MGGVDBYUVHOCRS-FRRDWIJNSA-N 2 1 226.339 2.104 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2CC=CCC2)CC[C@@H]1F ZINC001206155565 974327557 /nfs/dbraw/zinc/32/75/57/974327557.db2.gz MGGVDBYUVHOCRS-FRRDWIJNSA-N 2 1 226.339 2.104 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170724410 971655847 /nfs/dbraw/zinc/65/58/47/971655847.db2.gz JIVZODBRRWHDKH-SYQHCUMBSA-N 2 1 236.403 2.495 20 0 BEADMP C[NH+](C)CCC[N@@H+](C)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170737916 971682441 /nfs/dbraw/zinc/68/24/41/971682441.db2.gz DDWGZZOWHDSLOP-XYYAHUGASA-N 2 1 224.392 2.305 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1C[C@H](F)C1)C2 ZINC001172101721 974358816 /nfs/dbraw/zinc/35/88/16/974358816.db2.gz AAZKMYMKOSTMOT-ZAEXQNMVSA-N 2 1 240.366 2.339 20 0 BEADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1CCCOCC1 ZINC001170775746 971799877 /nfs/dbraw/zinc/79/98/77/971799877.db2.gz LSTIWFAZXZWPRF-AWEZNQCLSA-N 2 1 242.407 2.267 20 0 BEADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)C2CC2)c1 ZINC001232144897 1169682384 /nfs/dbraw/zinc/68/23/84/1169682384.db2.gz NKTMXUBVJFOLPO-UHFFFAOYSA-N 2 1 236.334 2.482 20 0 BEADMP C[N@H+]1CCC=C(c2ccc([C@@H]3CC[NH2+]C3)cc2)C1 ZINC001241571279 1169732565 /nfs/dbraw/zinc/73/25/65/1169732565.db2.gz XNWYCRLTJUUIPF-OAHLLOKOSA-N 2 1 242.366 2.482 20 0 BEADMP COC1CCC([N@@H+](C)CCCCCC[NH3+])CC1 ZINC000710782723 956870779 /nfs/dbraw/zinc/87/07/79/956870779.db2.gz XSDKNISCLLCGFV-UHFFFAOYSA-N 2 1 242.407 2.395 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1[C@@H]2CC[C@H]1CC(C)C2 ZINC000692940871 956885353 /nfs/dbraw/zinc/88/53/53/956885353.db2.gz NREFATIJYOIBFL-YUSLTOFOSA-N 2 1 222.376 2.105 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(C)(C)CC2)C1 ZINC001208606285 957091853 /nfs/dbraw/zinc/09/18/53/957091853.db2.gz DTDLEGKCYVRLMK-ZDUSSCGKSA-N 2 1 224.392 2.450 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC001208608038 957092311 /nfs/dbraw/zinc/09/23/11/957092311.db2.gz FFWLNUVBWLTUMV-VXGBXAGGSA-N 2 1 244.329 2.059 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC001208608038 957092325 /nfs/dbraw/zinc/09/23/25/957092325.db2.gz FFWLNUVBWLTUMV-VXGBXAGGSA-N 2 1 244.329 2.059 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC001208608038 957092344 /nfs/dbraw/zinc/09/23/44/957092344.db2.gz FFWLNUVBWLTUMV-VXGBXAGGSA-N 2 1 244.329 2.059 20 0 BEADMP CC(C)C([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C(C)C ZINC001246235410 972241051 /nfs/dbraw/zinc/24/10/51/972241051.db2.gz GJTMAJIHPSDGAX-VXGBXAGGSA-N 2 1 212.381 2.397 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@H](CF)C2)C1 ZINC001208613670 957108059 /nfs/dbraw/zinc/10/80/59/957108059.db2.gz XORMEPLPFXMULV-CHWSQXEVSA-N 2 1 228.355 2.010 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CCCCc2ccccn2)C[NH2+]1 ZINC001246241037 972244092 /nfs/dbraw/zinc/24/40/92/972244092.db2.gz VFJIUMHJNVGKQC-HIFRSBDPSA-N 2 1 247.386 2.134 20 0 BEADMP FC[C@H]1[C@@H]2C[N@@H+](CCC[NH+]3CCCCC3)C[C@H]12 ZINC001209451374 957477700 /nfs/dbraw/zinc/47/77/00/957477700.db2.gz WIJLTDWOBIEFPC-ZSOGYDGISA-N 2 1 240.366 2.010 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246365974 972305516 /nfs/dbraw/zinc/30/55/16/972305516.db2.gz WBDZXLQYWUOUOZ-RVMXOQNASA-N 2 1 210.365 2.295 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000723122322 958161496 /nfs/dbraw/zinc/16/14/96/958161496.db2.gz OPFPFUQLTAPWHT-NDBYEHHHSA-N 2 1 210.365 2.092 20 0 BEADMP [NH3+]C[C@H]1C[N@@H+](CCC2CCCC2)CCC1(F)F ZINC000403285771 958441131 /nfs/dbraw/zinc/44/11/31/958441131.db2.gz QXPQDCJGLSBYJT-LBPRGKRZSA-N 2 1 246.345 2.483 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CCCOc2ccccc2)C[NH2+]1 ZINC000399220258 958568774 /nfs/dbraw/zinc/56/87/74/958568774.db2.gz KIELMKUINBDONH-KGLIPLIRSA-N 2 1 248.370 2.186 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](c3ccccc3)C2)C1 ZINC000693547770 958762408 /nfs/dbraw/zinc/76/24/08/958762408.db2.gz SBZIEJGGZJOHIU-YUELXQCFSA-N 2 1 230.355 2.213 20 0 BEADMP CC1CCC([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000693569467 958864931 /nfs/dbraw/zinc/86/49/31/958864931.db2.gz RCBZAMUJRLPIQK-UNTZMWQOSA-N 2 1 210.365 2.234 20 0 BEADMP CCOC(C)(C)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222237549 972415944 /nfs/dbraw/zinc/41/59/44/972415944.db2.gz MORCLMZKLURTQM-CQSZACIVSA-N 2 1 240.391 2.020 20 0 BEADMP CCOCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001172409908 974671133 /nfs/dbraw/zinc/67/11/33/974671133.db2.gz BENXGCPKMUPNOR-IHRRRGAJSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@]1([NH3+])CC[N@@H+]([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001246531414 972441125 /nfs/dbraw/zinc/44/11/25/972441125.db2.gz QTAPJHHCVRXFHZ-CABCVRRESA-N 2 1 248.345 2.106 20 0 BEADMP C[C@]1([NH3+])CC[N@H+]([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001246531414 972441127 /nfs/dbraw/zinc/44/11/27/972441127.db2.gz QTAPJHHCVRXFHZ-CABCVRRESA-N 2 1 248.345 2.106 20 0 BEADMP C[C@@]1([NH3+])CC[N@@H+]([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001246531417 972441587 /nfs/dbraw/zinc/44/15/87/972441587.db2.gz QTAPJHHCVRXFHZ-LSDHHAIUSA-N 2 1 248.345 2.106 20 0 BEADMP C[C@@]1([NH3+])CC[N@H+]([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001246531417 972441588 /nfs/dbraw/zinc/44/15/88/972441588.db2.gz QTAPJHHCVRXFHZ-LSDHHAIUSA-N 2 1 248.345 2.106 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1[C@H](C)CC[C@@H]1C ZINC000309783260 959695583 /nfs/dbraw/zinc/69/55/83/959695583.db2.gz NKFNIGMBTVSWPR-PJXYFTJBSA-N 2 1 221.348 2.216 20 0 BEADMP C[NH2+]CC[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000708796050 959824542 /nfs/dbraw/zinc/82/45/42/959824542.db2.gz AUBAYWMKNXLFFF-ZDUSSCGKSA-N 2 1 210.365 2.108 20 0 BEADMP C[NH2+]CC[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000708796050 959824548 /nfs/dbraw/zinc/82/45/48/959824548.db2.gz AUBAYWMKNXLFFF-ZDUSSCGKSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H]1CC[N@@H+](CCC2CCCC2)C[C@@H]1[NH3+] ZINC000300747537 959922742 /nfs/dbraw/zinc/92/27/42/959922742.db2.gz JXHFPXQKVKXXPT-YPMHNXCESA-N 2 1 210.365 2.236 20 0 BEADMP CCC1CCC([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000708884952 960076899 /nfs/dbraw/zinc/07/68/99/960076899.db2.gz BIAWHVXJZMKCBT-RJZJGCCBSA-N 2 1 224.392 2.482 20 0 BEADMP Cc1cccc2c1C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001207436551 960090743 /nfs/dbraw/zinc/09/07/43/960090743.db2.gz NVUSVZXZQVMWKK-UHFFFAOYSA-N 2 1 230.355 2.310 20 0 BEADMP C[NH+]1CCC(CC[N@H+]2CCC[C@H](CF)C2)CC1 ZINC001207484328 960451999 /nfs/dbraw/zinc/45/19/99/960451999.db2.gz JFGIUQOSKXRCFZ-CQSZACIVSA-N 2 1 242.382 2.400 20 0 BEADMP c1[nH+]cn([C@@H]2C[C@H]3C[C@H]3C2)c1C1CC[NH2+]CC1 ZINC000397735934 960502658 /nfs/dbraw/zinc/50/26/58/960502658.db2.gz HWGLFMJACLHXSH-CLLJXQQHSA-N 2 1 231.343 2.321 20 0 BEADMP C/C(=C\C=C\N)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC001167753398 960542655 /nfs/dbraw/zinc/54/26/55/960542655.db2.gz OBCNBPHBNSLTHF-QUZUDMBRSA-N 2 1 237.391 2.217 20 0 BEADMP C[C@H]1CCCC[N@H+]1CCCNc1ccc[n+](C)c1 ZINC001167753314 960543889 /nfs/dbraw/zinc/54/38/89/960543889.db2.gz HDPLSAHAXRMWHG-AWEZNQCLSA-N 2 1 248.394 2.188 20 0 BEADMP CO[C@@H](C)C1C[NH+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805976 960603579 /nfs/dbraw/zinc/60/35/79/960603579.db2.gz RZBXZUWBHPPDGY-JTQLQIEISA-N 2 1 245.326 2.030 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000709476864 960622458 /nfs/dbraw/zinc/62/24/58/960622458.db2.gz GBZJKJXWHPRPIJ-RISCZKNCSA-N 2 1 236.334 2.398 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000709476864 960622465 /nfs/dbraw/zinc/62/24/65/960622465.db2.gz GBZJKJXWHPRPIJ-RISCZKNCSA-N 2 1 236.334 2.398 20 0 BEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1CCCC(C)(C)C1 ZINC000709525824 960634278 /nfs/dbraw/zinc/63/42/78/960634278.db2.gz RTKRSYRGDVFZRW-VXGBXAGGSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H](Cc1ccco1)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246539078 972528438 /nfs/dbraw/zinc/52/84/38/972528438.db2.gz ATHBRRKLTHOCDE-NWDGAFQWSA-N 2 1 222.332 2.024 20 0 BEADMP COc1c(C)cc(C[NH2+]CC(C)(C)[NH3+])cc1C ZINC000258800838 961063309 /nfs/dbraw/zinc/06/33/09/961063309.db2.gz KAUBBPLJSREJBD-UHFFFAOYSA-N 2 1 236.359 2.139 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)CC1COC1 ZINC001167836812 961215157 /nfs/dbraw/zinc/21/51/57/961215157.db2.gz HPELDGUJRHEVKC-CYBMUJFWSA-N 2 1 242.407 2.075 20 0 BEADMP CO[C@@H](C[N@@H+](C)C1CCC([NH3+])CC1)C1CCC1 ZINC000692219534 961360499 /nfs/dbraw/zinc/36/04/99/961360499.db2.gz ZQBZEMVZZUOJKM-RUXDESIVSA-N 2 1 240.391 2.003 20 0 BEADMP COc1cccc(C)c1NC(=[NH2+])SCC[NH3+] ZINC001167915539 961848609 /nfs/dbraw/zinc/84/86/09/961848609.db2.gz IGFDTKSJAQCWSB-UHFFFAOYSA-N 2 1 239.344 2.042 20 0 BEADMP C[C@]1([NH3+])CCC[N@@H+](CCC2CCCC2)C1 ZINC001204937560 962077705 /nfs/dbraw/zinc/07/77/05/962077705.db2.gz DVYAZEYOKCOSPL-ZDUSSCGKSA-N 2 1 210.365 2.380 20 0 BEADMP Cc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1O ZINC001206632248 962122788 /nfs/dbraw/zinc/12/27/88/962122788.db2.gz HOCBAWZMAFLBKG-AWEZNQCLSA-N 2 1 248.370 2.261 20 0 BEADMP Cc1cnsc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206641592 962326181 /nfs/dbraw/zinc/32/61/81/962326181.db2.gz ZPFJFJPZUQHJRK-LLVKDONJSA-N 2 1 239.388 2.012 20 0 BEADMP C[C@]1([NH3+])CC[N@H+](C2CCC3(CC3)CC2)C1 ZINC000710149200 962334155 /nfs/dbraw/zinc/33/41/55/962334155.db2.gz IUMGUHNRHCBXIM-LBPRGKRZSA-N 2 1 208.349 2.132 20 0 BEADMP CCc1cc(NCC[C@H]2CCC[N@@H+]2C)nc(C)[nH+]1 ZINC000710384625 962377260 /nfs/dbraw/zinc/37/72/60/962377260.db2.gz LNTFUNLTPHQGOX-CYBMUJFWSA-N 2 1 248.374 2.244 20 0 BEADMP CCc1cc(NCC[C@H]2CCC[N@H+]2C)nc(C)[nH+]1 ZINC000710384625 962377275 /nfs/dbraw/zinc/37/72/75/962377275.db2.gz LNTFUNLTPHQGOX-CYBMUJFWSA-N 2 1 248.374 2.244 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)C1 ZINC000710448748 962379216 /nfs/dbraw/zinc/37/92/16/962379216.db2.gz ZTNXAKBDJYQRAY-FRRDWIJNSA-N 2 1 210.365 2.249 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+]CCCc2ccccn2)CC1 ZINC000710433511 962379931 /nfs/dbraw/zinc/37/99/31/962379931.db2.gz IRDQULXGMBLAQC-HNNXBMFYSA-N 2 1 247.386 2.088 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+]2CCc3ccsc3C2)CC[NH2+]1 ZINC000711872048 962784485 /nfs/dbraw/zinc/78/44/85/962784485.db2.gz CBZZGAOEYDOJLD-ZYHUDNBSSA-N 2 1 236.384 2.247 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCc3ccsc3C2)CC[NH2+]1 ZINC000711872048 962784508 /nfs/dbraw/zinc/78/45/08/962784508.db2.gz CBZZGAOEYDOJLD-ZYHUDNBSSA-N 2 1 236.384 2.247 20 0 BEADMP C[C@@H]1C[C@@H](CNc2cc(C3CC3)cc[nH+]2)C[NH2+]1 ZINC001155102267 962978289 /nfs/dbraw/zinc/97/82/89/962978289.db2.gz WZHXYYJXYVHVMU-GHMZBOCLSA-N 2 1 231.343 2.369 20 0 BEADMP CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167982069 963064068 /nfs/dbraw/zinc/06/40/68/963064068.db2.gz VFYHYZVSTNUOAD-PBWFPOADSA-N 2 1 222.376 2.344 20 0 BEADMP CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167982069 963064081 /nfs/dbraw/zinc/06/40/81/963064081.db2.gz VFYHYZVSTNUOAD-PBWFPOADSA-N 2 1 222.376 2.344 20 0 BEADMP CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167982069 963064101 /nfs/dbraw/zinc/06/41/01/963064101.db2.gz VFYHYZVSTNUOAD-PBWFPOADSA-N 2 1 222.376 2.344 20 0 BEADMP COc1cc[nH+]c(NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001156380683 963332512 /nfs/dbraw/zinc/33/25/12/963332512.db2.gz IYQSRRHWXIHREL-LBPRGKRZSA-N 2 1 249.358 2.234 20 0 BEADMP CC(C)[C@H](C)[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000686973750 963352075 /nfs/dbraw/zinc/35/20/75/963352075.db2.gz LACMWLWZHGOIHM-RYUDHWBXSA-N 2 1 212.381 2.399 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CCO[C@H](C)C1 ZINC001168141952 963847550 /nfs/dbraw/zinc/84/75/50/963847550.db2.gz KNPYWDCFKWTLDR-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1(C[NH3+])CC1 ZINC001168167086 963894468 /nfs/dbraw/zinc/89/44/68/963894468.db2.gz LQKNDPJCDKZDDG-JTQLQIEISA-N 2 1 238.762 2.352 20 0 BEADMP CC1(Nc2[nH+]ccc3cc[nH]c32)CC[NH2+]CC1 ZINC001168188378 963949205 /nfs/dbraw/zinc/94/92/05/963949205.db2.gz SUQOGSZAFRHQQH-UHFFFAOYSA-N 2 1 230.315 2.117 20 0 BEADMP CC[N@@H+]1C[C@@H]2C[NH+](C3CCC(C)CC3)C[C@@H]2C1 ZINC001168225411 964008254 /nfs/dbraw/zinc/00/82/54/964008254.db2.gz ZPOKIWKYAHDBCE-HFDVOGEKSA-N 2 1 236.403 2.449 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@H+](C3CCC(C)CC3)C[C@@H]2C1 ZINC001168225411 964008261 /nfs/dbraw/zinc/00/82/61/964008261.db2.gz ZPOKIWKYAHDBCE-HFDVOGEKSA-N 2 1 236.403 2.449 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+](C3CCC(C)CC3)C[C@@H]2C1 ZINC001168225411 964008270 /nfs/dbraw/zinc/00/82/70/964008270.db2.gz ZPOKIWKYAHDBCE-HFDVOGEKSA-N 2 1 236.403 2.449 20 0 BEADMP CNc1ccc(NC=CC2CC[NH2+]CC2)c[nH+]1 ZINC001159253669 964030479 /nfs/dbraw/zinc/03/04/79/964030479.db2.gz DNMXBDVQTKCYMD-RMKNXTFCSA-N 2 1 232.331 2.049 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1[nH+]cccc1N)C2 ZINC001160468523 964307291 /nfs/dbraw/zinc/30/72/91/964307291.db2.gz BLCVREBSZFPGTF-CNDDSTCGSA-N 2 1 246.358 2.091 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1[nH+]cccc1N)C2 ZINC001160468523 964307300 /nfs/dbraw/zinc/30/73/00/964307300.db2.gz BLCVREBSZFPGTF-CNDDSTCGSA-N 2 1 246.358 2.091 20 0 BEADMP C[NH+](C)C1CCC([N@@H+]2CCC(F)(F)C2)CC1 ZINC001168316068 964435719 /nfs/dbraw/zinc/43/57/19/964435719.db2.gz VDDVRDQXONDLEC-UHFFFAOYSA-N 2 1 232.318 2.200 20 0 BEADMP C[NH+](C)C1CCC([N@H+]2CCC(F)(F)C2)CC1 ZINC001168316068 964435724 /nfs/dbraw/zinc/43/57/24/964435724.db2.gz VDDVRDQXONDLEC-UHFFFAOYSA-N 2 1 232.318 2.200 20 0 BEADMP C[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C1CCC([NH3+])CC1 ZINC000697782954 964518501 /nfs/dbraw/zinc/51/85/01/964518501.db2.gz DQHDYWKSSKGHAF-NSQMUIRCSA-N 2 1 222.376 2.234 20 0 BEADMP COc1c[nH+]c(NCCCC[NH+](C)C)cc1C ZINC001161728104 964715046 /nfs/dbraw/zinc/71/50/46/964715046.db2.gz BMJXSDAIODLCHV-UHFFFAOYSA-N 2 1 237.347 2.152 20 0 BEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000697934445 964747558 /nfs/dbraw/zinc/74/75/58/964747558.db2.gz ZXRNYRYSLGSHOZ-ABIMDTOASA-N 2 1 234.387 2.377 20 0 BEADMP CN(C)c1cccc(N[C@@]2(C)CCC[N@H+](C)C2)[nH+]1 ZINC001162341121 964939553 /nfs/dbraw/zinc/93/95/53/964939553.db2.gz ISXQQLUJIBYVAU-AWEZNQCLSA-N 2 1 248.374 2.044 20 0 BEADMP CN(C)c1cccc(N[C@@]2(C)CCC[N@@H+](C)C2)[nH+]1 ZINC001162341121 964939556 /nfs/dbraw/zinc/93/95/56/964939556.db2.gz ISXQQLUJIBYVAU-AWEZNQCLSA-N 2 1 248.374 2.044 20 0 BEADMP COC(=[NH2+])c1cccc(N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001162399249 964958728 /nfs/dbraw/zinc/95/87/28/964958728.db2.gz AKTOEICYAUVCJH-YPMHNXCESA-N 2 1 247.342 2.340 20 0 BEADMP COC(=[NH2+])c1cccc(N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC001162399248 964959792 /nfs/dbraw/zinc/95/97/92/964959792.db2.gz AKTOEICYAUVCJH-WCQYABFASA-N 2 1 247.342 2.340 20 0 BEADMP CCc1cccc(N[C@@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC001162401566 964959989 /nfs/dbraw/zinc/95/99/89/964959989.db2.gz LHQUZCDXSJRTCJ-CMPLNLGQSA-N 2 1 219.332 2.326 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C)C2)C1 ZINC000164468197 965089527 /nfs/dbraw/zinc/08/95/27/965089527.db2.gz GDDKHENKRRFJEC-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP c1[nH+]cn2cccc(N[C@@]34CCC[C@@H]3[NH2+]CC4)c12 ZINC001162988017 965218213 /nfs/dbraw/zinc/21/82/13/965218213.db2.gz PJPVHDBLJUIBAT-UONOGXRCSA-N 2 1 242.326 2.031 20 0 BEADMP CC(C)(C[NH3+])[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168401897 965227928 /nfs/dbraw/zinc/22/79/28/965227928.db2.gz XPZAKWPDWAGUHM-CYBMUJFWSA-N 2 1 236.334 2.010 20 0 BEADMP CC(C)(C[NH3+])[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168401903 965227956 /nfs/dbraw/zinc/22/79/56/965227956.db2.gz XPZAKWPDWAGUHM-ZDUSSCGKSA-N 2 1 236.334 2.010 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC1CC(C)C1 ZINC000691033370 965268436 /nfs/dbraw/zinc/26/84/36/965268436.db2.gz NAYCNFXWKUZTLV-WXRRBKDZSA-N 2 1 212.381 2.338 20 0 BEADMP CC(C)[N@H+]1CC[C@H](Nc2cc(N)cc[nH+]2)[C@H](C)C1 ZINC001163356965 965364046 /nfs/dbraw/zinc/36/40/46/965364046.db2.gz HQBRJADVCVMUEN-YPMHNXCESA-N 2 1 248.374 2.195 20 0 BEADMP Cc1[nH+]ccn1CCNc1c[nH+]cc2cc[nH]c21 ZINC001163923567 965636979 /nfs/dbraw/zinc/63/69/79/965636979.db2.gz JTBVXSCAZOQEOH-UHFFFAOYSA-N 2 1 241.298 2.180 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)CC1 ZINC001205094728 965728200 /nfs/dbraw/zinc/72/82/00/965728200.db2.gz OTRFWOZKQWFRKW-AWEZNQCLSA-N 2 1 243.354 2.481 20 0 BEADMP COc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1C ZINC001205095481 965744824 /nfs/dbraw/zinc/74/48/24/965744824.db2.gz YCUSOEBIWOZDIG-CQSZACIVSA-N 2 1 248.370 2.317 20 0 BEADMP CCc1cccc(N(CCC[NH3+])C(C)C)[nH+]1 ZINC001164126969 965748755 /nfs/dbraw/zinc/74/87/55/965748755.db2.gz LYDKVJXOQPUIPV-UHFFFAOYSA-N 2 1 221.348 2.208 20 0 BEADMP CC(C)N(CCC[NH3+])c1ccc2[nH]c[nH+]c2c1 ZINC001164128913 965750191 /nfs/dbraw/zinc/75/01/91/965750191.db2.gz ONLXJILGMNOLGA-UHFFFAOYSA-N 2 1 232.331 2.127 20 0 BEADMP CC(C)[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699206724 965815676 /nfs/dbraw/zinc/81/56/76/965815676.db2.gz YZVGIHVNUHTNNN-NUDNTCICSA-N 2 1 236.403 2.495 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205109543 965828060 /nfs/dbraw/zinc/82/80/60/965828060.db2.gz ICJIRGOMRKLWBL-AWEZNQCLSA-N 2 1 236.334 2.447 20 0 BEADMP COc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(C)c1 ZINC001205109695 965829136 /nfs/dbraw/zinc/82/91/36/965829136.db2.gz JLCMMIJMZAXLED-AWEZNQCLSA-N 2 1 248.370 2.317 20 0 BEADMP [NH3+][C@@H]1CCC[N@H+](Cc2cncc(C3CC3)c2)CC1 ZINC001205123593 965881925 /nfs/dbraw/zinc/88/19/25/965881925.db2.gz CANUDWKYRIXZQV-OAHLLOKOSA-N 2 1 245.370 2.272 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cncc(C3CC3)c2)CC1 ZINC001205123593 965881935 /nfs/dbraw/zinc/88/19/35/965881935.db2.gz CANUDWKYRIXZQV-OAHLLOKOSA-N 2 1 245.370 2.272 20 0 BEADMP Cc1c(N)cc[nH+]c1NCC[C@H]1CCC[N@H+](C)C1 ZINC001165261315 966011664 /nfs/dbraw/zinc/01/16/64/966011664.db2.gz NZCNXJUKRFZTRA-GFCCVEGCSA-N 2 1 248.374 2.116 20 0 BEADMP [NH3+][C@]12CC[C@H]1C[N@H+](CC1(c3ccccc3)CC1)C2 ZINC001235977565 966194609 /nfs/dbraw/zinc/19/46/09/966194609.db2.gz HHVPVBCLELEXKW-HOCLYGCPSA-N 2 1 242.366 2.141 20 0 BEADMP [NH3+][C@]12CC[C@H]1C[N@@H+](CC1(c3ccccc3)CC1)C2 ZINC001235977565 966194618 /nfs/dbraw/zinc/19/46/18/966194618.db2.gz HHVPVBCLELEXKW-HOCLYGCPSA-N 2 1 242.366 2.141 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2cccc3c2CCC3)C1 ZINC001236052291 966256747 /nfs/dbraw/zinc/25/67/47/966256747.db2.gz PYSVZUZMDRQCMR-DOMZBBRYSA-N 2 1 244.382 2.344 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2cccc3c2CCC3)C1 ZINC001236052291 966256764 /nfs/dbraw/zinc/25/67/64/966256764.db2.gz PYSVZUZMDRQCMR-DOMZBBRYSA-N 2 1 244.382 2.344 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001236167812 966278619 /nfs/dbraw/zinc/27/86/19/966278619.db2.gz GDFLUISZPKARDL-YNEHKIRRSA-N 2 1 208.349 2.012 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001236167812 966278627 /nfs/dbraw/zinc/27/86/27/966278627.db2.gz GDFLUISZPKARDL-YNEHKIRRSA-N 2 1 208.349 2.012 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001236167788 966279741 /nfs/dbraw/zinc/27/97/41/966279741.db2.gz GDFLUISZPKARDL-AVGNSLFASA-N 2 1 208.349 2.012 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001236167788 966279752 /nfs/dbraw/zinc/27/97/52/966279752.db2.gz GDFLUISZPKARDL-AVGNSLFASA-N 2 1 208.349 2.012 20 0 BEADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccsc3)C[C@H]2C1 ZINC001204046411 966867796 /nfs/dbraw/zinc/86/77/96/966867796.db2.gz XQDYAXUMLSOFKD-CHWSQXEVSA-N 2 1 236.384 2.132 20 0 BEADMP CC(C)[N@@H+](Cc1ccccn1)C1CCN(C)CC1 ZINC001204066187 966877248 /nfs/dbraw/zinc/87/72/48/966877248.db2.gz UTDRIFNNPVIXLM-UHFFFAOYSA-N 2 1 247.386 2.386 20 0 BEADMP CC(C)N(Cc1ccccn1)C1CC[NH+](C)CC1 ZINC001204066187 966877254 /nfs/dbraw/zinc/87/72/54/966877254.db2.gz UTDRIFNNPVIXLM-UHFFFAOYSA-N 2 1 247.386 2.386 20 0 BEADMP CC(C)[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001204128144 966899026 /nfs/dbraw/zinc/89/90/26/966899026.db2.gz IXJUVWXWBVTONI-XDQVBPFNSA-N 2 1 222.376 2.247 20 0 BEADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001204245575 966942230 /nfs/dbraw/zinc/94/22/30/966942230.db2.gz OPDLYEBBTAPMRV-UHFFFAOYSA-N 2 1 234.343 2.197 20 0 BEADMP Cc1cc(Nc2c[nH+]ccc2N(C)C)c[nH+]c1N ZINC001249782543 967057298 /nfs/dbraw/zinc/05/72/98/967057298.db2.gz XNPNMPKDBSLTCB-UHFFFAOYSA-N 2 1 243.314 2.177 20 0 BEADMP C[C@H]1CCC[C@H](C)[NH+]1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001204598062 967094170 /nfs/dbraw/zinc/09/41/70/967094170.db2.gz GCOHTKRXOYZGGR-AVGNSLFASA-N 2 1 240.391 2.364 20 0 BEADMP COc1cccc(CCC[N@@H+]2CC[C@](C)([NH3+])C2)c1 ZINC001204763197 967149979 /nfs/dbraw/zinc/14/99/79/967149979.db2.gz HXIVVALMXPSVAZ-HNNXBMFYSA-N 2 1 248.370 2.051 20 0 BEADMP COc1cccc(CCC[N@H+]2CC[C@](C)([NH3+])C2)c1 ZINC001204763197 967149986 /nfs/dbraw/zinc/14/99/86/967149986.db2.gz HXIVVALMXPSVAZ-HNNXBMFYSA-N 2 1 248.370 2.051 20 0 BEADMP C[C@@H](CC[N@H+](C)CC[NH3+])CC(C)(C)C ZINC000162911871 967172062 /nfs/dbraw/zinc/17/20/62/967172062.db2.gz HCOUAELLXZRHSS-NSHDSACASA-N 2 1 200.370 2.339 20 0 BEADMP C[C@@H](CC[N@@H+](C)CC[NH3+])CC(C)(C)C ZINC000162911871 967172072 /nfs/dbraw/zinc/17/20/72/967172072.db2.gz HCOUAELLXZRHSS-NSHDSACASA-N 2 1 200.370 2.339 20 0 BEADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cccc3c2CCC3)C1 ZINC001204945571 967250489 /nfs/dbraw/zinc/25/04/89/967250489.db2.gz HGTXEZFNDOUFRK-MRXNPFEDSA-N 2 1 244.382 2.489 20 0 BEADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC001204945571 967250500 /nfs/dbraw/zinc/25/05/00/967250500.db2.gz HGTXEZFNDOUFRK-MRXNPFEDSA-N 2 1 244.382 2.489 20 0 BEADMP CC/C=C\CC[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC001205000297 967281283 /nfs/dbraw/zinc/28/12/83/967281283.db2.gz CSTVJVWPKFKXFU-ZFDPJTLLSA-N 2 1 210.365 2.274 20 0 BEADMP COc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)ccc1C ZINC001205109071 967352321 /nfs/dbraw/zinc/35/23/21/967352321.db2.gz AHAUBAUCSQUAFY-CQSZACIVSA-N 2 1 248.370 2.317 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc(C)n1 ZINC001205116893 967362625 /nfs/dbraw/zinc/36/26/25/967362625.db2.gz IRGUOCRMCZETLG-AWEZNQCLSA-N 2 1 233.359 2.012 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1O ZINC001205116528 967368079 /nfs/dbraw/zinc/36/80/79/967368079.db2.gz BHGZNNBOEYKENF-ZDUSSCGKSA-N 2 1 234.343 2.014 20 0 BEADMP COc1c(C)cccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205124691 967372206 /nfs/dbraw/zinc/37/22/06/967372206.db2.gz YDMGXNLXYOAHNN-CQSZACIVSA-N 2 1 248.370 2.317 20 0 BEADMP Cc1cc(F)cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205146433 967388220 /nfs/dbraw/zinc/38/82/20/967388220.db2.gz WBHXTUGOMYJNKF-WCQYABFASA-N 2 1 236.334 2.161 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc2c1ccn2C ZINC001205182601 967409416 /nfs/dbraw/zinc/40/94/16/967409416.db2.gz CCPCDLVNIJWXRZ-BXUZGUMPSA-N 2 1 243.354 2.100 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc2c1ccn2C ZINC001205182601 967409424 /nfs/dbraw/zinc/40/94/24/967409424.db2.gz CCPCDLVNIJWXRZ-BXUZGUMPSA-N 2 1 243.354 2.100 20 0 BEADMP Cc1ncccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205266702 967454750 /nfs/dbraw/zinc/45/47/50/967454750.db2.gz WJEROUVAALZMDX-AWEZNQCLSA-N 2 1 233.359 2.093 20 0 BEADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccs2)CC1 ZINC001205263860 967455192 /nfs/dbraw/zinc/45/51/92/967455192.db2.gz CXJBDKBLTCVSBV-GFCCVEGCSA-N 2 1 224.373 2.451 20 0 BEADMP Cc1ccnc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205265828 967455882 /nfs/dbraw/zinc/45/58/82/967455882.db2.gz RQQJPMRYZOEWLJ-CQSZACIVSA-N 2 1 233.359 2.093 20 0 BEADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc3n2CCC3)CC1 ZINC001205296122 967496407 /nfs/dbraw/zinc/49/64/07/967496407.db2.gz HLQNTFUQODTFLT-HNNXBMFYSA-N 2 1 247.386 2.138 20 0 BEADMP Cn1ccc2cc[nH+]c(NCCCC[NH+](C)C)c21 ZINC001161728516 967616454 /nfs/dbraw/zinc/61/64/54/967616454.db2.gz MJJYRMPYCJSOMI-UHFFFAOYSA-N 2 1 246.358 2.327 20 0 BEADMP CC[C@@H](C)C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205536729 967666084 /nfs/dbraw/zinc/66/60/84/967666084.db2.gz ACXRJZMQXDUUDS-NEPJUHHUSA-N 2 1 216.344 2.185 20 0 BEADMP CSCCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205603583 967721103 /nfs/dbraw/zinc/72/11/03/967721103.db2.gz QOUFCKSHKPOONP-NEPJUHHUSA-N 2 1 230.421 2.046 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)ccn1 ZINC001205617569 967727005 /nfs/dbraw/zinc/72/70/05/967727005.db2.gz KZNMVPWQPNSPCK-WFASDCNBSA-N 2 1 247.386 2.197 20 0 BEADMP Cc1ccncc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205625599 967736925 /nfs/dbraw/zinc/73/69/25/967736925.db2.gz BSCDQDYIYSIQFM-ZIAGYGMSSA-N 2 1 247.386 2.197 20 0 BEADMP C[C@H]1CC[N@@H+](Cc2ccccc2N)CC[C@@H]1C[NH3+] ZINC001205653355 967740698 /nfs/dbraw/zinc/74/06/98/967740698.db2.gz SVVZKTXARLWYFJ-QWHCGFSZSA-N 2 1 247.386 2.076 20 0 BEADMP COc1c[nH+]c(N[C@@H]2CCC[C@H]([NH3+])C2)cc1C ZINC001162393150 967824430 /nfs/dbraw/zinc/82/44/30/967824430.db2.gz IWDIFNWKXRYSES-WDEREUQCSA-N 2 1 235.331 2.080 20 0 BEADMP [NH3+][C@H]1CCC[C@H](Nc2cccn3cc[nH+]c23)C1 ZINC001162395105 967827615 /nfs/dbraw/zinc/82/76/15/967827615.db2.gz BXEVSMNODQCRAN-QWRGUYRKSA-N 2 1 230.315 2.016 20 0 BEADMP C[C@@H]1CC[N@H+](Cc2cccc3c2CCC3)C[C@@H]1[NH3+] ZINC001205896147 967876565 /nfs/dbraw/zinc/87/65/65/967876565.db2.gz XNTDZDNEVKCJQC-WBMJQRKESA-N 2 1 244.382 2.344 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2cccc3c2CCC3)C[C@@H]1[NH3+] ZINC001205896147 967876572 /nfs/dbraw/zinc/87/65/72/967876572.db2.gz XNTDZDNEVKCJQC-WBMJQRKESA-N 2 1 244.382 2.344 20 0 BEADMP CS[C@H](C)CC[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205981712 967898493 /nfs/dbraw/zinc/89/84/93/967898493.db2.gz FWRPTWBQSGLAHA-YNEHKIRRSA-N 2 1 244.448 2.435 20 0 BEADMP C[C@H]1C[N@@H+](CCC2CC2)CCC[C@H]1C[NH3+] ZINC001205984708 967929260 /nfs/dbraw/zinc/92/92/60/967929260.db2.gz UKSSZRWVMOJZEA-AAEUAGOBSA-N 2 1 210.365 2.093 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cn1 ZINC001206003527 967957549 /nfs/dbraw/zinc/95/75/49/967957549.db2.gz IZYZPZBPWCOLCK-IUODEOHRSA-N 2 1 247.386 2.197 20 0 BEADMP Cc1ccncc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206003456 967961773 /nfs/dbraw/zinc/96/17/73/967961773.db2.gz IFEYKAYUHQTXJB-UONOGXRCSA-N 2 1 247.386 2.197 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccccc2N)CCC[C@@H]1C[NH3+] ZINC001206026211 967984705 /nfs/dbraw/zinc/98/47/05/967984705.db2.gz QXMJLTNAHKHDIN-QWHCGFSZSA-N 2 1 247.386 2.076 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccccc2N)CCC[C@H]1C[NH3+] ZINC001206026212 967986522 /nfs/dbraw/zinc/98/65/22/967986522.db2.gz QXMJLTNAHKHDIN-STQMWFEESA-N 2 1 247.386 2.076 20 0 BEADMP CCc1ccc([C@H](C)[NH2+]CC[C@@H](C)[NH2+]C)o1 ZINC001118122504 968009995 /nfs/dbraw/zinc/00/99/95/968009995.db2.gz YPALYWDXTIBQLS-MNOVXSKESA-N 2 1 224.348 2.491 20 0 BEADMP CCc1ccc([C@H](C)[NH2+]CC[C@H](C)[NH2+]C)o1 ZINC001118122505 968011274 /nfs/dbraw/zinc/01/12/74/968011274.db2.gz YPALYWDXTIBQLS-QWRGUYRKSA-N 2 1 224.348 2.491 20 0 BEADMP C[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C[C@H]1C ZINC001206109604 968064200 /nfs/dbraw/zinc/06/42/00/968064200.db2.gz DEBMAQMUWMZXTR-XQQFMLRXSA-N 2 1 240.391 2.079 20 0 BEADMP C[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C[C@H]1C ZINC001206109604 968064206 /nfs/dbraw/zinc/06/42/06/968064206.db2.gz DEBMAQMUWMZXTR-XQQFMLRXSA-N 2 1 240.391 2.079 20 0 BEADMP C[NH2+]CCC[N@@H+]1CCc2ccsc2[C@H]1C ZINC000712268232 968104123 /nfs/dbraw/zinc/10/41/23/968104123.db2.gz SIQIJCNMTUBZJT-SNVBAGLBSA-N 2 1 224.373 2.277 20 0 BEADMP C[NH2+]CCC[N@H+]1CCc2ccsc2[C@H]1C ZINC000712268232 968104131 /nfs/dbraw/zinc/10/41/31/968104131.db2.gz SIQIJCNMTUBZJT-SNVBAGLBSA-N 2 1 224.373 2.277 20 0 BEADMP C[C@@H](C[NH+](C)C)Nc1cc2[nH+]c[nH]c2cc1F ZINC001163783092 968118924 /nfs/dbraw/zinc/11/89/24/968118924.db2.gz YDQXNPVGZSWENC-QMMMGPOBSA-N 2 1 236.294 2.064 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cs1 ZINC001206214221 968148372 /nfs/dbraw/zinc/14/83/72/968148372.db2.gz XWTCNWDLLMULDH-VXGBXAGGSA-N 2 1 242.363 2.318 20 0 BEADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC001206257914 968176119 /nfs/dbraw/zinc/17/61/19/968176119.db2.gz MTMJNUMWTFGHJT-ZDUSSCGKSA-N 2 1 244.382 2.359 20 0 BEADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC001206257914 968176126 /nfs/dbraw/zinc/17/61/26/968176126.db2.gz MTMJNUMWTFGHJT-ZDUSSCGKSA-N 2 1 244.382 2.359 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[NH2+]C[C@@H]2C)c(C)c1 ZINC001206258292 968180448 /nfs/dbraw/zinc/18/04/48/968180448.db2.gz VJZVBJYCBJJIFC-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP Cc1ccc(C[N@@H+]2CCC[NH2+]C[C@@H]2C)c(C)c1 ZINC001206258292 968180452 /nfs/dbraw/zinc/18/04/52/968180452.db2.gz VJZVBJYCBJJIFC-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP Cc1cc[nH+]c2cc(N3CC[C@H]([NH3+])C3)ccc12 ZINC001164281934 968207994 /nfs/dbraw/zinc/20/79/94/968207994.db2.gz RANPMZZWYBXVHC-NSHDSACASA-N 2 1 227.311 2.081 20 0 BEADMP C[C@@]1(C[NH3+])CCC[N@@H+](C[C@H]2CCCCO2)CC1 ZINC001206297263 968208252 /nfs/dbraw/zinc/20/82/52/968208252.db2.gz XAJUKPBXVFTJBG-ZIAGYGMSSA-N 2 1 240.391 2.006 20 0 BEADMP Cc1cncc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206304976 968213374 /nfs/dbraw/zinc/21/33/74/968213374.db2.gz SJSNMFATYFVCFG-HNNXBMFYSA-N 2 1 247.386 2.341 20 0 BEADMP CSCCC[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206541996 968353268 /nfs/dbraw/zinc/35/32/68/968353268.db2.gz ORJGTAOOBATCIJ-LBPRGKRZSA-N 2 1 230.421 2.190 20 0 BEADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCC2CC2)C1 ZINC001206542034 968367327 /nfs/dbraw/zinc/36/73/27/968367327.db2.gz PMUIOVBXZHUYFM-CYBMUJFWSA-N 2 1 210.365 2.237 20 0 BEADMP Cc1cncc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206547077 968372126 /nfs/dbraw/zinc/37/21/26/968372126.db2.gz BKFSMMJOKPWQJU-HNNXBMFYSA-N 2 1 247.386 2.341 20 0 BEADMP Cc1ccncc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206554544 968378508 /nfs/dbraw/zinc/37/85/08/968378508.db2.gz FCXSXAWZTOHNRK-HNNXBMFYSA-N 2 1 247.386 2.341 20 0 BEADMP Cc1cccnc1CCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000822112410 968509935 /nfs/dbraw/zinc/50/99/35/968509935.db2.gz UWCDPCIHNKSKKV-DZGCQCFKSA-N 2 1 247.386 2.053 20 0 BEADMP CCCC[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001120281392 968559187 /nfs/dbraw/zinc/55/91/87/968559187.db2.gz CGCZXNPJCQLYRQ-MELADBBJSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)=Cc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001240635067 968591207 /nfs/dbraw/zinc/59/12/07/968591207.db2.gz XODIKXXWNUYMRB-UHFFFAOYSA-N 2 1 227.311 2.444 20 0 BEADMP C[C@@H]1CCCC[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207276477 968710047 /nfs/dbraw/zinc/71/00/47/968710047.db2.gz XSERGBYWXTZCHD-GFCCVEGCSA-N 2 1 212.381 2.449 20 0 BEADMP C[NH+](C)CC(C)(C)C[NH+]1CC2(CCC2)C1 ZINC001207278695 968711608 /nfs/dbraw/zinc/71/16/08/968711608.db2.gz BONMCXDYRFQGCR-UHFFFAOYSA-N 2 1 210.365 2.060 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001207286505 968719976 /nfs/dbraw/zinc/71/99/76/968719976.db2.gz VLYRCCJIKGDRPF-GFCCVEGCSA-N 2 1 246.345 2.305 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CC[C@H]3CCC[C@H]3C2)CC1 ZINC001207395508 968749159 /nfs/dbraw/zinc/74/91/59/968749159.db2.gz SHCHXBZWVTZPKJ-CABCVRRESA-N 2 1 236.403 2.450 20 0 BEADMP C[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001207398311 968749435 /nfs/dbraw/zinc/74/94/35/968749435.db2.gz HBRQOIGDVHWSCL-STQMWFEESA-N 2 1 224.392 2.449 20 0 BEADMP CC[N@H+](Cc1ccccn1)CC1CC[NH+](C)CC1 ZINC001207399023 968750506 /nfs/dbraw/zinc/75/05/06/968750506.db2.gz VZSLXKAOMHJPJY-UHFFFAOYSA-N 2 1 247.386 2.245 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)CC1 ZINC001207395044 968751585 /nfs/dbraw/zinc/75/15/85/968751585.db2.gz OJXSXWNQMFYGCH-QWHCGFSZSA-N 2 1 246.345 2.100 20 0 BEADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001207436017 968769997 /nfs/dbraw/zinc/76/99/97/968769997.db2.gz RZNCDFWHZQUDPA-UONOGXRCSA-N 2 1 222.376 2.108 20 0 BEADMP Cc1ccc2c(c1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207441979 968773769 /nfs/dbraw/zinc/77/37/69/968773769.db2.gz OMEWOIYICYYLBH-UHFFFAOYSA-N 2 1 244.382 2.353 20 0 BEADMP c1ccc([C@@H]2CC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC001207439073 968776002 /nfs/dbraw/zinc/77/60/02/968776002.db2.gz KSTBVWUMHDDKEX-HNNXBMFYSA-N 2 1 230.355 2.433 20 0 BEADMP C[NH+]1CCC(CC[N@@H+]2C[C@@H](F)C[C@H]2CF)CC1 ZINC001207480266 968795108 /nfs/dbraw/zinc/79/51/08/968795108.db2.gz ZABVZKCFSTYSGV-STQMWFEESA-N 2 1 246.345 2.100 20 0 BEADMP C[NH+]1CCC(CC[N@H+]2C[C@@H](F)C[C@H]2CF)CC1 ZINC001207480266 968795117 /nfs/dbraw/zinc/79/51/17/968795117.db2.gz ZABVZKCFSTYSGV-STQMWFEESA-N 2 1 246.345 2.100 20 0 BEADMP C[C@@H]1C[C@@H](F)C[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207479389 968795457 /nfs/dbraw/zinc/79/54/57/968795457.db2.gz HLZQUQPSZITANX-DGCLKSJQSA-N 2 1 228.355 2.151 20 0 BEADMP C[NH+]1CCC(CC[N@H+]2CC[C@](C)(CF)C2)CC1 ZINC001207480162 968797313 /nfs/dbraw/zinc/79/73/13/968797313.db2.gz VKGKYQAULQCHEB-CQSZACIVSA-N 2 1 242.382 2.400 20 0 BEADMP C[NH+](C)CCC[N@H+](C)CCc1ccccc1F ZINC001207497571 968808081 /nfs/dbraw/zinc/80/80/81/968808081.db2.gz RTKQZTDLJUZDQP-UHFFFAOYSA-N 2 1 238.350 2.252 20 0 BEADMP C[NH+](C)CCC[N@@H+](C)CCc1ccccc1F ZINC001207497571 968808087 /nfs/dbraw/zinc/80/80/87/968808087.db2.gz RTKQZTDLJUZDQP-UHFFFAOYSA-N 2 1 238.350 2.252 20 0 BEADMP CC(C)[C@H]1CCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000829274393 968825760 /nfs/dbraw/zinc/82/57/60/968825760.db2.gz DCHQHNYNBPYUFW-UONOGXRCSA-N 2 1 224.392 2.497 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001207634502 968851412 /nfs/dbraw/zinc/85/14/12/968851412.db2.gz HWCSVTWDWCSKPC-RRFJBIMHSA-N 2 1 246.398 2.369 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]CC3(C)CCCC3)[C@H]2C1 ZINC001207843942 968898670 /nfs/dbraw/zinc/89/86/70/968898670.db2.gz JBODQXVWOWPHTJ-MELADBBJSA-N 2 1 236.403 2.497 20 0 BEADMP C[NH+]1CCc2cc(C3=CC[N@@H+](C)CC3)ccc2C1 ZINC001241328177 968977490 /nfs/dbraw/zinc/97/74/90/968977490.db2.gz YHZHUKZXKINUKT-UHFFFAOYSA-N 2 1 242.366 2.393 20 0 BEADMP C[NH+]1CC=C(c2ccc3c(c2)CC[N@@H+](C)C3)CC1 ZINC001241328177 968977495 /nfs/dbraw/zinc/97/74/95/968977495.db2.gz YHZHUKZXKINUKT-UHFFFAOYSA-N 2 1 242.366 2.393 20 0 BEADMP C[NH+]1CC=C(c2ccc3c(c2)CC[N@H+](C)C3)CC1 ZINC001241328177 968977499 /nfs/dbraw/zinc/97/74/99/968977499.db2.gz YHZHUKZXKINUKT-UHFFFAOYSA-N 2 1 242.366 2.393 20 0 BEADMP C[C@@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)C[C@@H]1F ZINC001208108265 968993672 /nfs/dbraw/zinc/99/36/72/968993672.db2.gz RMQUTOFNGVRYHH-NEPJUHHUSA-N 2 1 228.355 2.008 20 0 BEADMP C[NH+]1CCC(C)(C[N@@H+]2Cc3cccnc3C2)CC1 ZINC001208104335 969001619 /nfs/dbraw/zinc/00/16/19/969001619.db2.gz LRURVAZLAXSEBR-UHFFFAOYSA-N 2 1 245.370 2.129 20 0 BEADMP C[NH+]1CCC(C)(C[N@H+]2Cc3cccnc3C2)CC1 ZINC001208104335 969001630 /nfs/dbraw/zinc/00/16/30/969001630.db2.gz LRURVAZLAXSEBR-UHFFFAOYSA-N 2 1 245.370 2.129 20 0 BEADMP CC/C=C\CCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001208135988 969044244 /nfs/dbraw/zinc/04/42/44/969044244.db2.gz MRRJDAMSKUBELH-XTBPLBNGSA-N 2 1 222.376 2.226 20 0 BEADMP Nc1[nH]c2cc(-c3ccc(C[NH3+])cc3)ccc2[nH+]1 ZINC001241913614 969144254 /nfs/dbraw/zinc/14/42/54/969144254.db2.gz DHIBLOOGUOTBJP-UHFFFAOYSA-N 2 1 238.294 2.271 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC001208593164 969152087 /nfs/dbraw/zinc/15/20/87/969152087.db2.gz OWUCCDBHNKTVKM-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H](F)C2)C1 ZINC001208606491 969154615 /nfs/dbraw/zinc/15/46/15/969154615.db2.gz HBDNGYRIMIVKMC-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H](F)C2)C1 ZINC001208606491 969154619 /nfs/dbraw/zinc/15/46/19/969154619.db2.gz HBDNGYRIMIVKMC-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H](F)C2)C1 ZINC001208606491 969154622 /nfs/dbraw/zinc/15/46/22/969154622.db2.gz HBDNGYRIMIVKMC-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H](F)C2)C1 ZINC001208606491 969154626 /nfs/dbraw/zinc/15/46/26/969154626.db2.gz HBDNGYRIMIVKMC-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208604155 969156349 /nfs/dbraw/zinc/15/63/49/969156349.db2.gz LRJJKCUKDQCIGZ-QWHCGFSZSA-N 2 1 210.365 2.060 20 0 BEADMP C[C@H]1CCC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208604155 969156352 /nfs/dbraw/zinc/15/63/52/969156352.db2.gz LRJJKCUKDQCIGZ-QWHCGFSZSA-N 2 1 210.365 2.060 20 0 BEADMP C[C@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208604155 969156355 /nfs/dbraw/zinc/15/63/55/969156355.db2.gz LRJJKCUKDQCIGZ-QWHCGFSZSA-N 2 1 210.365 2.060 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC001208608719 969161283 /nfs/dbraw/zinc/16/12/83/969161283.db2.gz WJGJKNNQKBKVAA-KFWWJZLASA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC001208608719 969161291 /nfs/dbraw/zinc/16/12/91/969161291.db2.gz WJGJKNNQKBKVAA-KFWWJZLASA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC001208608719 969161294 /nfs/dbraw/zinc/16/12/94/969161294.db2.gz WJGJKNNQKBKVAA-KFWWJZLASA-N 2 1 236.403 2.450 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@@](C)(CF)C2)C1 ZINC001208607258 969161318 /nfs/dbraw/zinc/16/13/18/969161318.db2.gz KXMLWNWMGAYRBL-OLZOCXBDSA-N 2 1 228.355 2.010 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@@](C)(CF)C2)C1 ZINC001208607258 969161321 /nfs/dbraw/zinc/16/13/21/969161321.db2.gz KXMLWNWMGAYRBL-OLZOCXBDSA-N 2 1 228.355 2.010 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@@](C)(CF)C2)C1 ZINC001208607258 969161326 /nfs/dbraw/zinc/16/13/26/969161326.db2.gz KXMLWNWMGAYRBL-OLZOCXBDSA-N 2 1 228.355 2.010 20 0 BEADMP CC[N@@H+](Cc1ccccn1)C[C@@H]1CCC[NH+](C)C1 ZINC001208613213 969167950 /nfs/dbraw/zinc/16/79/50/969167950.db2.gz RSPNSOYDKLZQCF-CQSZACIVSA-N 2 1 247.386 2.245 20 0 BEADMP CC[N@H+](Cc1ccccn1)C[C@@H]1CCC[NH+](C)C1 ZINC001208613213 969167954 /nfs/dbraw/zinc/16/79/54/969167954.db2.gz RSPNSOYDKLZQCF-CQSZACIVSA-N 2 1 247.386 2.245 20 0 BEADMP CC[NH+](Cc1ccccn1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208613213 969167957 /nfs/dbraw/zinc/16/79/57/969167957.db2.gz RSPNSOYDKLZQCF-CQSZACIVSA-N 2 1 247.386 2.245 20 0 BEADMP CC[NH+](Cc1ccccn1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208613213 969167961 /nfs/dbraw/zinc/16/79/61/969167961.db2.gz RSPNSOYDKLZQCF-CQSZACIVSA-N 2 1 247.386 2.245 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@@H]3CCCC[C@H]3C2)C1 ZINC001208618314 969176314 /nfs/dbraw/zinc/17/63/14/969176314.db2.gz WJGJKNNQKBKVAA-ILXRZTDVSA-N 2 1 236.403 2.450 20 0 BEADMP Cc1ccnc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001205994404 969253511 /nfs/dbraw/zinc/25/35/11/969253511.db2.gz LJYSWOTUGOTCTE-UONOGXRCSA-N 2 1 247.386 2.197 20 0 BEADMP Cc1cnccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205995731 969263300 /nfs/dbraw/zinc/26/33/00/969263300.db2.gz PSICHOYFJPVYRV-KGLIPLIRSA-N 2 1 247.386 2.197 20 0 BEADMP C1=CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208945411 969312702 /nfs/dbraw/zinc/31/27/02/969312702.db2.gz BVWWZXJHWBLTGB-MRXNPFEDSA-N 2 1 242.366 2.380 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(C)CCC1)C2 ZINC001169096412 969390362 /nfs/dbraw/zinc/39/03/62/969390362.db2.gz WDIHFCXULBAIEI-CNDDSTCGSA-N 2 1 208.349 2.144 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCCC1)C2 ZINC001169079200 969397540 /nfs/dbraw/zinc/39/75/40/969397540.db2.gz JTIDVVUETYEDDX-XYYAHUGASA-N 2 1 208.349 2.144 20 0 BEADMP CC(C)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078824 969399656 /nfs/dbraw/zinc/39/96/56/969399656.db2.gz HPDLMMYBHNDDBF-XYYAHUGASA-N 2 1 210.365 2.247 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@H](F)C1)C2 ZINC001169080308 969403125 /nfs/dbraw/zinc/40/31/25/969403125.db2.gz MKXOZRKMGONXRD-RXGFPQBGSA-N 2 1 226.339 2.092 20 0 BEADMP CC1CC([N@@H+](C)[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169126120 969426311 /nfs/dbraw/zinc/42/63/11/969426311.db2.gz PVYJTFAQSVDXSE-XEJFGBPMSA-N 2 1 222.376 2.342 20 0 BEADMP CC1CC([NH+](C)[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169126120 969426316 /nfs/dbraw/zinc/42/63/16/969426316.db2.gz PVYJTFAQSVDXSE-XEJFGBPMSA-N 2 1 222.376 2.342 20 0 BEADMP CC1CC([NH+](C)[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169126120 969426322 /nfs/dbraw/zinc/42/63/22/969426322.db2.gz PVYJTFAQSVDXSE-XEJFGBPMSA-N 2 1 222.376 2.342 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC13CC3)C2 ZINC001169124486 969427444 /nfs/dbraw/zinc/42/74/44/969427444.db2.gz DBQDOEJHLLCRGB-ITGUQSILSA-N 2 1 220.360 2.240 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC13CC3)C2 ZINC001169124486 969427448 /nfs/dbraw/zinc/42/74/48/969427448.db2.gz DBQDOEJHLLCRGB-ITGUQSILSA-N 2 1 220.360 2.240 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC13CC3)C2 ZINC001169124486 969427452 /nfs/dbraw/zinc/42/74/52/969427452.db2.gz DBQDOEJHLLCRGB-ITGUQSILSA-N 2 1 220.360 2.240 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC13CC3)C2 ZINC001169124486 969427459 /nfs/dbraw/zinc/42/74/59/969427459.db2.gz DBQDOEJHLLCRGB-ITGUQSILSA-N 2 1 220.360 2.240 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@](C)(F)C1)C2 ZINC001169126067 969427739 /nfs/dbraw/zinc/42/77/39/969427739.db2.gz OPUPAIWOSSYJOH-CRWXNKLISA-N 2 1 240.366 2.436 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@](C)(F)C1)C2 ZINC001169126067 969427742 /nfs/dbraw/zinc/42/77/42/969427742.db2.gz OPUPAIWOSSYJOH-CRWXNKLISA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@](C)(F)C1)C2 ZINC001169126067 969427746 /nfs/dbraw/zinc/42/77/46/969427746.db2.gz OPUPAIWOSSYJOH-CRWXNKLISA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@](C)(F)C1)C2 ZINC001169126067 969427751 /nfs/dbraw/zinc/42/77/51/969427751.db2.gz OPUPAIWOSSYJOH-CRWXNKLISA-N 2 1 240.366 2.436 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C=CCCC1)C2 ZINC001169115280 969457911 /nfs/dbraw/zinc/45/79/11/969457911.db2.gz ICHMIQQWVOQYMS-FQUUOJAGSA-N 2 1 220.360 2.310 20 0 BEADMP CC[N@@H+](C)C1CC[NH+](C[C@@H]2C[C@@H]2C)CC1 ZINC001209427107 969498344 /nfs/dbraw/zinc/49/83/44/969498344.db2.gz OKBCGBXLPYYFHP-RYUDHWBXSA-N 2 1 210.365 2.059 20 0 BEADMP F[C@@H]1C[C@@H]2C[C@H]1C[N@H+]2CCC[NH+]1CCCCC1 ZINC001209449122 969518530 /nfs/dbraw/zinc/51/85/30/969518530.db2.gz SQVZDLANODCBJR-MELADBBJSA-N 2 1 240.366 2.295 20 0 BEADMP CC[NH+]1CCC([NH+]2CCC(C(F)F)CC2)CC1 ZINC001169266583 969525913 /nfs/dbraw/zinc/52/59/13/969525913.db2.gz WQGFEEFRIXZZGN-UHFFFAOYSA-N 2 1 246.345 2.448 20 0 BEADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](CF)C2)CC1 ZINC001169258618 969544827 /nfs/dbraw/zinc/54/48/27/969544827.db2.gz OSHWHUYYEVBKQG-LBPRGKRZSA-N 2 1 228.355 2.152 20 0 BEADMP CC[NH+]1CCC([N@H+]2CCC[C@@H](CF)C2)CC1 ZINC001169258618 969544833 /nfs/dbraw/zinc/54/48/33/969544833.db2.gz OSHWHUYYEVBKQG-LBPRGKRZSA-N 2 1 228.355 2.152 20 0 BEADMP C[C@@H]1CCC[N@H+](CC[C@H]2COC(C)(C)[NH2+]2)CC1 ZINC001209844375 969656502 /nfs/dbraw/zinc/65/65/02/969656502.db2.gz BOVQTJFMJGHZMH-OLZOCXBDSA-N 2 1 240.391 2.223 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC[C@H]2COC(C)(C)[NH2+]2)CC1 ZINC001209844375 969656512 /nfs/dbraw/zinc/65/65/12/969656512.db2.gz BOVQTJFMJGHZMH-OLZOCXBDSA-N 2 1 240.391 2.223 20 0 BEADMP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3cccnc32)CC1 ZINC001254503638 969664670 /nfs/dbraw/zinc/66/46/70/969664670.db2.gz OAEOCDIWJGAWGL-KGLIPLIRSA-N 2 1 245.370 2.143 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3cccnc32)CC1 ZINC001254503638 969664679 /nfs/dbraw/zinc/66/46/79/969664679.db2.gz OAEOCDIWJGAWGL-KGLIPLIRSA-N 2 1 245.370 2.143 20 0 BEADMP C[N@@H+]1CCC[C@@H]([NH2+]C(C)(C)c2ccccn2)CC1 ZINC001254507215 969672693 /nfs/dbraw/zinc/67/26/93/969672693.db2.gz JXKASWHNTXSDDD-CYBMUJFWSA-N 2 1 247.386 2.391 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+]C(C)(C)c2ccccn2)CC1 ZINC001254507215 969672698 /nfs/dbraw/zinc/67/26/98/969672698.db2.gz JXKASWHNTXSDDD-CYBMUJFWSA-N 2 1 247.386 2.391 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ncccc32)CC1 ZINC001254506943 969673799 /nfs/dbraw/zinc/67/37/99/969673799.db2.gz DDUCEFOKQIXHGV-IUODEOHRSA-N 2 1 245.370 2.143 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+]CCCc2cccnc2)CC1 ZINC001254505179 969675567 /nfs/dbraw/zinc/67/55/67/969675567.db2.gz ZQHWNTVVCOQLHM-HNNXBMFYSA-N 2 1 247.386 2.088 20 0 BEADMP C[N@@H+](CC1CC(F)(F)C1)[C@H]1CCC[NH+](C)CC1 ZINC001254524367 969704561 /nfs/dbraw/zinc/70/45/61/969704561.db2.gz AZXYFPOIXHHXCC-LBPRGKRZSA-N 2 1 246.345 2.448 20 0 BEADMP C[NH+](CC1CC(F)(F)C1)[C@H]1CCC[N@H+](C)CC1 ZINC001254524367 969704575 /nfs/dbraw/zinc/70/45/75/969704575.db2.gz AZXYFPOIXHHXCC-LBPRGKRZSA-N 2 1 246.345 2.448 20 0 BEADMP C[NH+](CC1CC(F)(F)C1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254524367 969704583 /nfs/dbraw/zinc/70/45/83/969704583.db2.gz AZXYFPOIXHHXCC-LBPRGKRZSA-N 2 1 246.345 2.448 20 0 BEADMP C[N@@H+](CC(C)(C)C)[C@@H]1CCC[NH+](C)CC1 ZINC001254523685 969705402 /nfs/dbraw/zinc/70/54/02/969705402.db2.gz QVTYGWSSWCFDPA-GFCCVEGCSA-N 2 1 212.381 2.449 20 0 BEADMP C[NH+](CC(C)(C)C)[C@@H]1CCC[N@H+](C)CC1 ZINC001254523685 969705415 /nfs/dbraw/zinc/70/54/15/969705415.db2.gz QVTYGWSSWCFDPA-GFCCVEGCSA-N 2 1 212.381 2.449 20 0 BEADMP C[NH+](CC(C)(C)C)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254523685 969705423 /nfs/dbraw/zinc/70/54/23/969705423.db2.gz QVTYGWSSWCFDPA-GFCCVEGCSA-N 2 1 212.381 2.449 20 0 BEADMP C[N@@H+](C[C@@H]1CC1(C)C)[C@H]1CCC[NH+](C)CC1 ZINC001254524850 969713383 /nfs/dbraw/zinc/71/33/83/969713383.db2.gz CVKZBRJJLWACKF-STQMWFEESA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+](C[C@@H]1CC1(C)C)[C@H]1CCC[N@H+](C)CC1 ZINC001254524850 969713387 /nfs/dbraw/zinc/71/33/87/969713387.db2.gz CVKZBRJJLWACKF-STQMWFEESA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+](C[C@@H]1CC1(C)C)[C@H]1CCC[N@@H+](C)CC1 ZINC001254524850 969713395 /nfs/dbraw/zinc/71/33/95/969713395.db2.gz CVKZBRJJLWACKF-STQMWFEESA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1C[C@@H](C)C[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254524914 969723295 /nfs/dbraw/zinc/72/32/95/969723295.db2.gz DQWJPHYCYNZQFJ-MGPQQGTHSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@H]1C[N@@H+]([C@@H]2CCC[NH+](C)CC2)C2(CC2)C1 ZINC001254530046 969725754 /nfs/dbraw/zinc/72/57/54/969725754.db2.gz UDMHKGVOPLFVEW-CHWSQXEVSA-N 2 1 222.376 2.345 20 0 BEADMP C[C@H]1C[NH+]([C@@H]2CCC[N@H+](C)CC2)C2(CC2)C1 ZINC001254530046 969725762 /nfs/dbraw/zinc/72/57/62/969725762.db2.gz UDMHKGVOPLFVEW-CHWSQXEVSA-N 2 1 222.376 2.345 20 0 BEADMP C[C@H]1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)C2(CC2)C1 ZINC001254530046 969725770 /nfs/dbraw/zinc/72/57/70/969725770.db2.gz UDMHKGVOPLFVEW-CHWSQXEVSA-N 2 1 222.376 2.345 20 0 BEADMP Cc1cc2cc[nH+]c(NCC[C@H]3CCC[NH2+]3)c2[nH]1 ZINC001169558789 969756128 /nfs/dbraw/zinc/75/61/28/969756128.db2.gz SQZOQNBYWMONHK-GFCCVEGCSA-N 2 1 244.342 2.425 20 0 BEADMP [NH3+]CCC[C@@H]1CCCC[N@H+](C2CCOCC2)C1 ZINC001255038255 969859041 /nfs/dbraw/zinc/85/90/41/969859041.db2.gz IRPMVIWHGYXELM-ZDUSSCGKSA-N 2 1 240.391 2.006 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[NH2+][C@H](C)CC2)c1C ZINC001210474644 969899863 /nfs/dbraw/zinc/89/98/63/969899863.db2.gz HPBXFZIOXJCNHE-CYBMUJFWSA-N 2 1 232.371 2.487 20 0 BEADMP Cc1cccc(C[N@H+]2CC[NH2+][C@H](C)CC2)c1C ZINC001210474644 969899864 /nfs/dbraw/zinc/89/98/64/969899864.db2.gz HPBXFZIOXJCNHE-CYBMUJFWSA-N 2 1 232.371 2.487 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCSC1)C2 ZINC001255272189 970022927 /nfs/dbraw/zinc/02/29/27/970022927.db2.gz SIVRKQLHBYVSIC-RVMXOQNASA-N 2 1 240.416 2.097 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCSC1)C2 ZINC001255272189 970022933 /nfs/dbraw/zinc/02/29/33/970022933.db2.gz SIVRKQLHBYVSIC-RVMXOQNASA-N 2 1 240.416 2.097 20 0 BEADMP C1CC[NH+](C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC001255279267 970033450 /nfs/dbraw/zinc/03/34/50/970033450.db2.gz IUHIPCVBFYYAJA-ZDUSSCGKSA-N 2 1 240.416 2.052 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CCSC1 ZINC001255295478 970057517 /nfs/dbraw/zinc/05/75/17/970057517.db2.gz YEGLHXLRWJTDJO-GFCCVEGCSA-N 2 1 230.421 2.156 20 0 BEADMP C[N@H+]1CC[C@@H](n2ccc3cc(CC[NH3+])ccc32)C1 ZINC001255423237 970147609 /nfs/dbraw/zinc/14/76/09/970147609.db2.gz JVZIUIQQKQCMMK-CQSZACIVSA-N 2 1 243.354 2.019 20 0 BEADMP Cc1cc(C)nc(Nc2cncn2C)c1 ZINC001211246185 970190791 /nfs/dbraw/zinc/19/07/91/970190791.db2.gz YHRJRHHRXCLEED-UHFFFAOYSA-N 2 1 202.261 2.176 20 0 BEADMP C[N@H+]1CCC[C@H](n2c(C[NH3+])cc3ccccc32)C1 ZINC001255467416 970193867 /nfs/dbraw/zinc/19/38/67/970193867.db2.gz CGTLOGDIMPCANC-ZDUSSCGKSA-N 2 1 243.354 2.367 20 0 BEADMP C[N@H+]1CCC[C@@H](n2cc(C[NH3+])c3ccccc32)C1 ZINC001255468899 970194952 /nfs/dbraw/zinc/19/49/52/970194952.db2.gz ZDSGLBCGHHPTLV-CYBMUJFWSA-N 2 1 243.354 2.367 20 0 BEADMP C[N@H+]1CCC[C@H](n2ccc3c2cccc3C[NH3+])C1 ZINC001255467382 970195988 /nfs/dbraw/zinc/19/59/88/970195988.db2.gz BPAHHYLLZNRYAL-ZDUSSCGKSA-N 2 1 243.354 2.367 20 0 BEADMP CC(C)(C[NH3+])[NH2+]C1CCC(C(F)(F)F)CC1 ZINC001255507277 970272516 /nfs/dbraw/zinc/27/25/16/970272516.db2.gz RDXPKCYODVIDAT-UHFFFAOYSA-N 2 1 238.297 2.434 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CCOC(C)(C)C1 ZINC001255527565 970293017 /nfs/dbraw/zinc/29/30/17/970293017.db2.gz ORHFMYIINMMQSU-GFCCVEGCSA-N 2 1 228.380 2.005 20 0 BEADMP COC[C@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255561145 970345446 /nfs/dbraw/zinc/34/54/46/970345446.db2.gz DMCIYYXJBQMMNL-UBHSHLNASA-N 2 1 240.391 2.003 20 0 BEADMP COC[C@H](C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255563786 970353361 /nfs/dbraw/zinc/35/33/61/970353361.db2.gz YIERISSPWMMSOO-AVGNSLFASA-N 2 1 228.380 2.002 20 0 BEADMP C[N@H+](CC1CC1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255675109 970452748 /nfs/dbraw/zinc/45/27/48/970452748.db2.gz ZAJZZLPKKACMRZ-PBWFPOADSA-N 2 1 222.376 2.344 20 0 BEADMP C[N@@H+](CC1CC1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255675109 970452756 /nfs/dbraw/zinc/45/27/56/970452756.db2.gz ZAJZZLPKKACMRZ-PBWFPOADSA-N 2 1 222.376 2.344 20 0 BEADMP C[NH+](CC1CC1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255675109 970452766 /nfs/dbraw/zinc/45/27/66/970452766.db2.gz ZAJZZLPKKACMRZ-PBWFPOADSA-N 2 1 222.376 2.344 20 0 BEADMP C[NH+](CC1CC1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255675109 970452776 /nfs/dbraw/zinc/45/27/76/970452776.db2.gz ZAJZZLPKKACMRZ-PBWFPOADSA-N 2 1 222.376 2.344 20 0 BEADMP Cc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001255773958 970478652 /nfs/dbraw/zinc/47/86/52/970478652.db2.gz SHSVAGDAKJAAGA-ZBFHGGJFSA-N 2 1 246.398 2.467 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[C@H](C)C1 ZINC001170156375 970482247 /nfs/dbraw/zinc/48/22/47/970482247.db2.gz DUDNIHKFWMOWPX-QWHCGFSZSA-N 2 1 212.381 2.449 20 0 BEADMP C[C@H](Cc1ccc(F)cc1)[NH2+]C(C)(C)C[NH3+] ZINC001255857605 970501883 /nfs/dbraw/zinc/50/18/83/970501883.db2.gz WEYWNJLZGMFFIQ-SNVBAGLBSA-N 2 1 224.323 2.084 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC3CCC2CC3)CC[C@H]1[NH3+] ZINC000400098112 970552468 /nfs/dbraw/zinc/55/24/68/970552468.db2.gz FFSDZUGPNASAHM-NNZPWHBESA-N 2 1 236.403 2.482 20 0 BEADMP CSC[C@@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000400299572 970573670 /nfs/dbraw/zinc/57/36/70/970573670.db2.gz SYEBHCXOBVNYFS-LBPRGKRZSA-N 2 1 230.421 2.333 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)C1CCOCC1 ZINC001255955473 970591124 /nfs/dbraw/zinc/59/11/24/970591124.db2.gz UPYIFKPJROSQPI-ZDUSSCGKSA-N 2 1 242.407 2.218 20 0 BEADMP CC[C@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+]2C)CCO1 ZINC001170194533 970591476 /nfs/dbraw/zinc/59/14/76/970591476.db2.gz IBFMCKUADTZBME-MJBXVCDLSA-N 2 1 240.391 2.018 20 0 BEADMP CC[C@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)CCO1 ZINC001170194532 970593400 /nfs/dbraw/zinc/59/34/00/970593400.db2.gz IBFMCKUADTZBME-MCIONIFRSA-N 2 1 240.391 2.018 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)[C@@H]1CCCOC1 ZINC001255969068 970606698 /nfs/dbraw/zinc/60/66/98/970606698.db2.gz STUBICAUXABXCL-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP Cc1cc[nH+]c(C)c1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000304583202 970615748 /nfs/dbraw/zinc/61/57/48/970615748.db2.gz STADDPMCWKKBNQ-NEPJUHHUSA-N 2 1 219.332 2.380 20 0 BEADMP C1CC1[NH+]1CCC([NH+]2C[C@H]3CCC[C@@H]3C2)CC1 ZINC001256073256 970639930 /nfs/dbraw/zinc/63/99/30/970639930.db2.gz PWOSKNKSZCQSTC-CHWSQXEVSA-N 2 1 234.387 2.345 20 0 BEADMP C1CC1[NH+]1CCC([NH+]2CCCCCC2)CC1 ZINC001256072794 970643005 /nfs/dbraw/zinc/64/30/05/970643005.db2.gz HYFPESZUIGTQGQ-UHFFFAOYSA-N 2 1 222.376 2.489 20 0 BEADMP C[N@H+](C1CCCC1)C1CC[NH+](C2CC2)CC1 ZINC001256078090 970647938 /nfs/dbraw/zinc/64/79/38/970647938.db2.gz UQUFTXWWBZVZHE-UHFFFAOYSA-N 2 1 222.376 2.488 20 0 BEADMP C[N@@H+](C1CCCC1)C1CC[NH+](C2CC2)CC1 ZINC001256078090 970647944 /nfs/dbraw/zinc/64/79/44/970647944.db2.gz UQUFTXWWBZVZHE-UHFFFAOYSA-N 2 1 222.376 2.488 20 0 BEADMP C[NH+]1CCC([NH2+]Cc2cccc3ncoc32)CC1 ZINC001256200059 970694932 /nfs/dbraw/zinc/69/49/32/970694932.db2.gz KTVMIKTZESGIDB-UHFFFAOYSA-N 2 1 245.326 2.012 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2CCc3sccc32)CC1 ZINC001256201358 970696160 /nfs/dbraw/zinc/69/61/60/970696160.db2.gz HMWBFWQEDAATDS-GFCCVEGCSA-N 2 1 236.384 2.419 20 0 BEADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccncc1 ZINC001256201402 970696652 /nfs/dbraw/zinc/69/66/52/970696652.db2.gz BEMGNWGJRMPKAL-OAHLLOKOSA-N 2 1 247.386 2.463 20 0 BEADMP C[NH+]1CCC([NH2+]CCCCCCCCO)CC1 ZINC001256200331 970697385 /nfs/dbraw/zinc/69/73/85/970697385.db2.gz QWPWLYXZENGZKH-UHFFFAOYSA-N 2 1 242.407 2.003 20 0 BEADMP C[C@H]1CCCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001256202141 970697517 /nfs/dbraw/zinc/69/75/17/970697517.db2.gz ADBOJQWZAAYRHG-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H]1CCCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001256202141 970697533 /nfs/dbraw/zinc/69/75/33/970697533.db2.gz ADBOJQWZAAYRHG-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+]1CCC([NH2+]C2(C)Cc3ccccc3C2)CC1 ZINC001256198582 970697857 /nfs/dbraw/zinc/69/78/57/970697857.db2.gz OJOHPHVSAYAOGM-UHFFFAOYSA-N 2 1 244.382 2.228 20 0 BEADMP C[NH+]1CCC([N@@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC001256209566 970710889 /nfs/dbraw/zinc/71/08/89/970710889.db2.gz YKTPXKSSEMJLBB-TZMCWYRMSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC([N@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC001256209566 970710899 /nfs/dbraw/zinc/71/08/99/970710899.db2.gz YKTPXKSSEMJLBB-TZMCWYRMSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC([N@@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC001256209560 970715006 /nfs/dbraw/zinc/71/50/06/970715006.db2.gz YKTPXKSSEMJLBB-GXTWGEPZSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC([N@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC001256209560 970715010 /nfs/dbraw/zinc/71/50/10/970715010.db2.gz YKTPXKSSEMJLBB-GXTWGEPZSA-N 2 1 222.376 2.345 20 0 BEADMP C[C@@H]1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC001256207346 970715036 /nfs/dbraw/zinc/71/50/36/970715036.db2.gz FNLVBRDAKALFDE-VXGBXAGGSA-N 2 1 210.365 2.201 20 0 BEADMP CC(C)COCC[C@@H](C)[N@H+]1[C@@H](C)CC[C@H]1CN ZINC001246540437 972559484 /nfs/dbraw/zinc/55/94/84/972559484.db2.gz GUKGVLOURHFJCB-MJBXVCDLSA-N 2 1 242.407 2.249 20 0 BEADMP CC(C)COCC[C@@H](C)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246540437 972559493 /nfs/dbraw/zinc/55/94/93/972559493.db2.gz GUKGVLOURHFJCB-MJBXVCDLSA-N 2 1 242.407 2.249 20 0 BEADMP CC(C)COCC[C@@H](C)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246540437 972559508 /nfs/dbraw/zinc/55/95/08/972559508.db2.gz GUKGVLOURHFJCB-MJBXVCDLSA-N 2 1 242.407 2.249 20 0 BEADMP CCCC(CCC)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246541387 972574606 /nfs/dbraw/zinc/57/46/06/972574606.db2.gz HHUPWKACQGGYGM-AWEZNQCLSA-N 2 1 242.407 2.131 20 0 BEADMP CC[C@H](C)OCC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246542836 972585287 /nfs/dbraw/zinc/58/52/87/972585287.db2.gz LMKUFDBJHJPILR-YVECIDJPSA-N 2 1 228.380 2.002 20 0 BEADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246542836 972585298 /nfs/dbraw/zinc/58/52/98/972585298.db2.gz LMKUFDBJHJPILR-YVECIDJPSA-N 2 1 228.380 2.002 20 0 BEADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCC[C@H]([NH3+])CC3)C[C@@H]21 ZINC001246543052 972592183 /nfs/dbraw/zinc/59/21/83/972592183.db2.gz RTNFVVZKGHKUHD-ZDEQEGDKSA-N 2 1 222.376 2.234 20 0 BEADMP CCCC[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596495 972600987 /nfs/dbraw/zinc/60/09/87/972600987.db2.gz XJBVFUBYJPPFAQ-OAHLLOKOSA-N 2 1 244.382 2.476 20 0 BEADMP CSC(C)(C)C[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246552617 972738516 /nfs/dbraw/zinc/73/85/16/972738516.db2.gz YOTUGUAPXNREHX-HBNTYKKESA-N 2 1 230.421 2.328 20 0 BEADMP CCCCC[C@H](C)[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246557965 972778616 /nfs/dbraw/zinc/77/86/16/972778616.db2.gz JSJXMZXCRKBYJE-KBPBESRZSA-N 2 1 242.407 2.131 20 0 BEADMP C[C@H]1C[N@H+](C2CCCC2)CCC[C@H]1C[NH3+] ZINC001246559492 972789534 /nfs/dbraw/zinc/78/95/34/972789534.db2.gz ANIRXWNIHJRNEN-RYUDHWBXSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H](CC1CC1)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246566903 972819279 /nfs/dbraw/zinc/81/92/79/972819279.db2.gz JVMNQNOJMLNGTE-MBNYWOFBSA-N 2 1 224.392 2.482 20 0 BEADMP CCC(CC)[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246570828 972844483 /nfs/dbraw/zinc/84/44/83/972844483.db2.gz WAOYUPUOOVKNMF-RYUDHWBXSA-N 2 1 212.381 2.482 20 0 BEADMP C[N@H+]1CC[C@@H](c2ccc(NCC(C)(C)[NH3+])cc2)C1 ZINC001171194480 972847854 /nfs/dbraw/zinc/84/78/54/972847854.db2.gz PCCGITFQHAUPIO-CYBMUJFWSA-N 2 1 247.386 2.255 20 0 BEADMP CC1(C)C[C@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)CO1 ZINC001246572981 972865224 /nfs/dbraw/zinc/86/52/24/972865224.db2.gz DSOHJILIZWFVCE-JSGCOSHPSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@]1(F)CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246579579 972908649 /nfs/dbraw/zinc/90/86/49/972908649.db2.gz ZPYGNEHWWOZHPG-QNMSZWNNSA-N 2 1 240.366 2.484 20 0 BEADMP [NH3+][C@H]1CC[N@@H+](C2CCCCC2)CC[C@@H]1F ZINC001246593403 973005599 /nfs/dbraw/zinc/00/55/99/973005599.db2.gz WXFJRKFGGGWBQM-RYUDHWBXSA-N 2 1 214.328 2.080 20 0 BEADMP [NH3+][C@H]1CC[N@H+](C2CCCCC2)CC[C@@H]1F ZINC001246593403 973005613 /nfs/dbraw/zinc/00/56/13/973005613.db2.gz WXFJRKFGGGWBQM-RYUDHWBXSA-N 2 1 214.328 2.080 20 0 BEADMP [NH3+][C@H]1CC[N@@H+](C2CCCCC2)CC[C@H]1F ZINC001246593385 973006478 /nfs/dbraw/zinc/00/64/78/973006478.db2.gz WXFJRKFGGGWBQM-NEPJUHHUSA-N 2 1 214.328 2.080 20 0 BEADMP [NH3+][C@H]1CC[N@H+](C2CCCCC2)CC[C@H]1F ZINC001246593385 973006492 /nfs/dbraw/zinc/00/64/92/973006492.db2.gz WXFJRKFGGGWBQM-NEPJUHHUSA-N 2 1 214.328 2.080 20 0 BEADMP CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246666658 973076052 /nfs/dbraw/zinc/07/60/52/973076052.db2.gz WVMYHYMFPFBHBB-XGFWRYKXSA-N 2 1 224.392 2.336 20 0 BEADMP CCc1ccc(C[C@H](C)[N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC001246661454 973078357 /nfs/dbraw/zinc/07/83/57/973078357.db2.gz XPUHYORMDQDULT-DANNLKNASA-N 2 1 244.382 2.069 20 0 BEADMP COC(C)(C)[C@H]1CCC[N@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246811814 973111747 /nfs/dbraw/zinc/11/17/47/973111747.db2.gz XMXHUXTUYZPDAC-FRRDWIJNSA-N 2 1 240.391 2.016 20 0 BEADMP CC1(C)CCC[C@H]([N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC001246848429 973154505 /nfs/dbraw/zinc/15/45/05/973154505.db2.gz VIAJSSHAJFGBNE-RDBSUJKOSA-N 2 1 236.403 2.497 20 0 BEADMP [NH3+][C@H](C[NH2+]Cc1ccc2c(c1)CCC2)C1CC1 ZINC001328679731 973269650 /nfs/dbraw/zinc/26/96/50/973269650.db2.gz ABZPTGIOQRKCBP-OAHLLOKOSA-N 2 1 230.355 2.002 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329433399 973772421 /nfs/dbraw/zinc/77/24/21/973772421.db2.gz NAZQHWCFYMACHC-OLZOCXBDSA-N 2 1 222.376 2.108 20 0 BEADMP F[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC001329499111 973799051 /nfs/dbraw/zinc/79/90/51/973799051.db2.gz ONQLGWRDYWNVCG-XJFOESAGSA-N 2 1 240.366 2.484 20 0 BEADMP Cc1cccc2c1CC[C@@H]([NH2+]C(C)(C)C[NH3+])C2 ZINC001171552473 974098444 /nfs/dbraw/zinc/09/84/44/974098444.db2.gz WYSVWKBYNJYHDZ-CYBMUJFWSA-N 2 1 232.371 2.179 20 0 BEADMP C[NH+]1C(C)(C)CC([N@H+]2C=C(N)C=CC2)CC1(C)C ZINC001171625663 974120358 /nfs/dbraw/zinc/12/03/58/974120358.db2.gz MODJRMVSASVJNL-UHFFFAOYSA-N 2 1 249.402 2.310 20 0 BEADMP C[NH+]1C(C)(C)CC([N@@H+]2C=C(N)C=CC2)CC1(C)C ZINC001171625663 974120362 /nfs/dbraw/zinc/12/03/62/974120362.db2.gz MODJRMVSASVJNL-UHFFFAOYSA-N 2 1 249.402 2.310 20 0 BEADMP N[C@H]1CC[N@@H+](CCC2CCCC2)CC[C@H]1F ZINC001206156908 974334399 /nfs/dbraw/zinc/33/43/99/974334399.db2.gz UFCPOKZPPHJIOO-OLZOCXBDSA-N 2 1 228.355 2.328 20 0 BEADMP [NH3+][C@H]1CC[N@H+](CCC2CCCC2)CC[C@H]1F ZINC001206156908 974334407 /nfs/dbraw/zinc/33/44/07/974334407.db2.gz UFCPOKZPPHJIOO-OLZOCXBDSA-N 2 1 228.355 2.328 20 0 BEADMP [NH3+][C@H]1CC[N@@H+](CCC2CCCC2)CC[C@H]1F ZINC001206156908 974334416 /nfs/dbraw/zinc/33/44/16/974334416.db2.gz UFCPOKZPPHJIOO-OLZOCXBDSA-N 2 1 228.355 2.328 20 0 BEADMP Cc1ccccc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156392 974335809 /nfs/dbraw/zinc/33/58/09/974335809.db2.gz QMNIKRVMJWIZPQ-KGLIPLIRSA-N 2 1 236.334 2.256 20 0 BEADMP Cc1ccccc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156392 974335820 /nfs/dbraw/zinc/33/58/20/974335820.db2.gz QMNIKRVMJWIZPQ-KGLIPLIRSA-N 2 1 236.334 2.256 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1CCC1)C2 ZINC001172099064 974336176 /nfs/dbraw/zinc/33/61/76/974336176.db2.gz FECMMCPKCPORJD-BTTYYORXSA-N 2 1 222.376 2.391 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC(F)C1)C2 ZINC001172098137 974342118 /nfs/dbraw/zinc/34/21/18/974342118.db2.gz AHPCQHAJBPPUPE-SSYPOUIUSA-N 2 1 226.339 2.092 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC(F)C1)C2 ZINC001172098137 974342125 /nfs/dbraw/zinc/34/21/25/974342125.db2.gz AHPCQHAJBPPUPE-SSYPOUIUSA-N 2 1 226.339 2.092 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@H]3CC[C@@H]1C3)C2 ZINC001172125152 974352853 /nfs/dbraw/zinc/35/28/53/974352853.db2.gz OUOHUDGPTIGBIO-AHDPXTMNSA-N 2 1 234.387 2.486 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1C[C@H]3CC[C@@H]1C3)C2 ZINC001172125152 974352865 /nfs/dbraw/zinc/35/28/65/974352865.db2.gz OUOHUDGPTIGBIO-AHDPXTMNSA-N 2 1 234.387 2.486 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1C[C@H]3CC[C@@H]1C3)C2 ZINC001172125152 974352877 /nfs/dbraw/zinc/35/28/77/974352877.db2.gz OUOHUDGPTIGBIO-AHDPXTMNSA-N 2 1 234.387 2.486 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCC1CC1)C2 ZINC001172107631 974364991 /nfs/dbraw/zinc/36/49/91/974364991.db2.gz IXMOPYXNGLDHOT-ZSOGYDGISA-N 2 1 222.376 2.391 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCn1cccc1)C2 ZINC001172104064 974369244 /nfs/dbraw/zinc/36/92/44/974369244.db2.gz ZIGGIQXGIPMNFZ-QDMKHBRRSA-N 2 1 247.386 2.093 20 0 BEADMP CC[N@H+](C1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172112865 974377150 /nfs/dbraw/zinc/37/71/50/974377150.db2.gz GEPMNJHPPSQNNH-WDNDVIMCSA-N 2 1 222.376 2.486 20 0 BEADMP CC[N@@H+](C1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172112865 974377159 /nfs/dbraw/zinc/37/71/59/974377159.db2.gz GEPMNJHPPSQNNH-WDNDVIMCSA-N 2 1 222.376 2.486 20 0 BEADMP CC[NH+](C1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112865 974377167 /nfs/dbraw/zinc/37/71/67/974377167.db2.gz GEPMNJHPPSQNNH-WDNDVIMCSA-N 2 1 222.376 2.486 20 0 BEADMP CC[NH+](C1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112865 974377176 /nfs/dbraw/zinc/37/71/76/974377176.db2.gz GEPMNJHPPSQNNH-WDNDVIMCSA-N 2 1 222.376 2.486 20 0 BEADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccno1 ZINC001172112906 974377564 /nfs/dbraw/zinc/37/75/64/974377564.db2.gz GSBFTRLSJOVJCQ-LPWJVIDDSA-N 2 1 249.358 2.341 20 0 BEADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccno1 ZINC001172112906 974377568 /nfs/dbraw/zinc/37/75/68/974377568.db2.gz GSBFTRLSJOVJCQ-LPWJVIDDSA-N 2 1 249.358 2.341 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(F)CC1)C2 ZINC001172115733 974381335 /nfs/dbraw/zinc/38/13/35/974381335.db2.gz ZPLVEAYHSQTMLS-WDNDVIMCSA-N 2 1 240.366 2.436 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(F)CC1)C2 ZINC001172115733 974381340 /nfs/dbraw/zinc/38/13/40/974381340.db2.gz ZPLVEAYHSQTMLS-WDNDVIMCSA-N 2 1 240.366 2.436 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H](F)C1)C2 ZINC001172120900 974387744 /nfs/dbraw/zinc/38/77/44/974387744.db2.gz GZWXUWAHQONBCM-IGQOVBAYSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](F)C1)C2 ZINC001172120900 974387760 /nfs/dbraw/zinc/38/77/60/974387760.db2.gz GZWXUWAHQONBCM-IGQOVBAYSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H](F)C1)C2 ZINC001172120900 974387767 /nfs/dbraw/zinc/38/77/67/974387767.db2.gz GZWXUWAHQONBCM-IGQOVBAYSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+](C)Cc1ccc(O[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001225330815 974404403 /nfs/dbraw/zinc/40/44/03/974404403.db2.gz QRICVQNQGVXDFJ-HNNXBMFYSA-N 2 1 248.370 2.221 20 0 BEADMP COCCC[NH+]1CCC([N@H+](C)C(C)(C)C)CC1 ZINC001172255098 974514793 /nfs/dbraw/zinc/51/47/93/974514793.db2.gz HTJXAWRAAMHLBG-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP COCCC[NH+]1CCC([N@@H+](C)C(C)(C)C)CC1 ZINC001172255098 974514800 /nfs/dbraw/zinc/51/48/00/974514800.db2.gz HTJXAWRAAMHLBG-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)s1 ZINC001206165319 974830318 /nfs/dbraw/zinc/83/03/18/974830318.db2.gz NISARWPKDXUQBF-NEPJUHHUSA-N 2 1 242.363 2.318 20 0 BEADMP CCCC[C@@H](CC(C)C)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001173251037 975088456 /nfs/dbraw/zinc/08/84/56/975088456.db2.gz YDRWUODHYCFCPD-UONOGXRCSA-N 2 1 242.407 2.251 20 0 BEADMP CCCC[C@@H](CC(C)C)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001173251035 975088901 /nfs/dbraw/zinc/08/89/01/975088901.db2.gz YDRWUODHYCFCPD-KBPBESRZSA-N 2 1 242.407 2.251 20 0 BEADMP CC[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)C1 ZINC001173282507 975238275 /nfs/dbraw/zinc/23/82/75/975238275.db2.gz GWSGTUNOXMNYNU-KBXIAJHMSA-N 2 1 236.403 2.449 20 0 BEADMP CC[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@@H+](CC)C[C@H]3C2)C1 ZINC001173282507 975238281 /nfs/dbraw/zinc/23/82/81/975238281.db2.gz GWSGTUNOXMNYNU-KBXIAJHMSA-N 2 1 236.403 2.449 20 0 BEADMP CC[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@H+](CC)C[C@H]3C2)C1 ZINC001173282507 975238287 /nfs/dbraw/zinc/23/82/87/975238287.db2.gz GWSGTUNOXMNYNU-KBXIAJHMSA-N 2 1 236.403 2.449 20 0 BEADMP Cc1cc(-n2c(N)[nH+]c3ccccc32)cc[nH+]1 ZINC001174652455 976935162 /nfs/dbraw/zinc/93/51/62/976935162.db2.gz ZGZLLZBOTCIBGJ-UHFFFAOYSA-N 2 1 224.267 2.311 20 0 BEADMP Cc1cc(Nc2cccc3[nH+]cn(C)c32)cc[nH+]1 ZINC001174657687 976953890 /nfs/dbraw/zinc/95/38/90/976953890.db2.gz MSROCTGSIGYIBZ-UHFFFAOYSA-N 2 1 238.294 2.442 20 0 BEADMP CC[C@H](C)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC001175444504 977431576 /nfs/dbraw/zinc/43/15/76/977431576.db2.gz KTFCDPKJMPUJNT-FQUUOJAGSA-N 2 1 224.392 2.447 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CCCO1 ZINC001232012160 977839136 /nfs/dbraw/zinc/83/91/36/977839136.db2.gz UIJFPGOLDJPJJY-LLVKDONJSA-N 2 1 245.326 2.174 20 0 BEADMP COC[C@@H]1CCC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232010854 977840830 /nfs/dbraw/zinc/84/08/30/977840830.db2.gz DZIMNEPUQPPAAS-ZDUSSCGKSA-N 2 1 245.326 2.174 20 0 BEADMP CC(C)[N@@H+](C)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232011944 977841077 /nfs/dbraw/zinc/84/10/77/977841077.db2.gz QEJNEZNWAQUWNG-UHFFFAOYSA-N 2 1 203.289 2.403 20 0 BEADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001232011609 977841523 /nfs/dbraw/zinc/84/15/23/977841523.db2.gz HICGHMGFVWPNRJ-PHIMTYICSA-N 2 1 213.284 2.015 20 0 BEADMP COC[C@@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232010784 977841617 /nfs/dbraw/zinc/84/16/17/977841617.db2.gz AOQISHDFUCFCEV-LLVKDONJSA-N 2 1 245.326 2.031 20 0 BEADMP F[C@@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015548 977843387 /nfs/dbraw/zinc/84/33/87/977843387.db2.gz YJXVFCSZCSPNFJ-WCFLWFBJSA-N 2 1 245.301 2.495 20 0 BEADMP CC[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)CC(C)(C)O ZINC001232015182 977844043 /nfs/dbraw/zinc/84/40/43/977844043.db2.gz CHPGYFDJWQMFNI-UHFFFAOYSA-N 2 1 247.342 2.156 20 0 BEADMP Cc1cccc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)[nH+]1 ZINC001336869661 978010915 /nfs/dbraw/zinc/01/09/15/978010915.db2.gz BPQWORWERXKSLL-JHJVBQTASA-N 2 1 231.343 2.142 20 0 BEADMP Cc1cccc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)[nH+]1 ZINC001336869661 978010925 /nfs/dbraw/zinc/01/09/25/978010925.db2.gz BPQWORWERXKSLL-JHJVBQTASA-N 2 1 231.343 2.142 20 0 BEADMP Cc1cccnc1N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001277708327 978262370 /nfs/dbraw/zinc/26/23/70/978262370.db2.gz SOBZVVDMCIRUJF-HNNXBMFYSA-N 2 1 245.370 2.312 20 0 BEADMP Cc1ccnc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)c1 ZINC001337432178 978335796 /nfs/dbraw/zinc/33/57/96/978335796.db2.gz QNETWCAWPSZYDO-RWMBFGLXSA-N 2 1 231.343 2.142 20 0 BEADMP Cc1cc[nH+]c(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC001337432178 978335799 /nfs/dbraw/zinc/33/57/99/978335799.db2.gz QNETWCAWPSZYDO-RWMBFGLXSA-N 2 1 231.343 2.142 20 0 BEADMP Cc1cc[nH+]c(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)c1 ZINC001337432178 978335803 /nfs/dbraw/zinc/33/58/03/978335803.db2.gz QNETWCAWPSZYDO-RWMBFGLXSA-N 2 1 231.343 2.142 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC000149345760 978426864 /nfs/dbraw/zinc/42/68/64/978426864.db2.gz KLKVZEBDSNWECR-XHDPSFHLSA-N 2 1 248.345 2.354 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H](NCc3ccccc3F)[C@H]2C1 ZINC001179815694 978758895 /nfs/dbraw/zinc/75/88/95/978758895.db2.gz IVBQBFJPCIZAGB-YDHLFZDLSA-N 2 1 248.345 2.256 20 0 BEADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3F)[C@H]2C1 ZINC001179815694 978758901 /nfs/dbraw/zinc/75/89/01/978758901.db2.gz IVBQBFJPCIZAGB-YDHLFZDLSA-N 2 1 248.345 2.256 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3F)[C@H]2C1 ZINC001179815694 978758905 /nfs/dbraw/zinc/75/89/05/978758905.db2.gz IVBQBFJPCIZAGB-YDHLFZDLSA-N 2 1 248.345 2.256 20 0 BEADMP Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)c1 ZINC001179818655 978761238 /nfs/dbraw/zinc/76/12/38/978761238.db2.gz ZFHBCDFYJIVSTM-OWCLPIDISA-N 2 1 244.382 2.425 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2C[C@H](C)C[C@H]2C)CC1 ZINC001179898650 978780671 /nfs/dbraw/zinc/78/06/71/978780671.db2.gz RKRJEWMOMYGVLV-CHWSQXEVSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000070643705 978861594 /nfs/dbraw/zinc/86/15/94/978861594.db2.gz GOVANNKDETXSBV-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@@H+](CCNc1cc[nH+]cc1C1CC1)C1CC1 ZINC001339561737 978872049 /nfs/dbraw/zinc/87/20/49/978872049.db2.gz SUWKGVOGZYWCPZ-UHFFFAOYSA-N 2 1 245.370 2.277 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCC(F)F ZINC001339883479 978932129 /nfs/dbraw/zinc/93/21/29/978932129.db2.gz ZGMQZOBPVKOYAS-UHFFFAOYSA-N 2 1 243.301 2.283 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@@]3(CC[NH2+]3)C2)CC1 ZINC001235062683 978967971 /nfs/dbraw/zinc/96/79/71/978967971.db2.gz BTCKIVOANMOZEJ-KKUMJFAQSA-N 2 1 234.387 2.417 20 0 BEADMP CS[C@@H](C)CC[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235120399 978979382 /nfs/dbraw/zinc/97/93/82/978979382.db2.gz AMTLETVRWAFACP-QWHCGFSZSA-N 2 1 242.432 2.346 20 0 BEADMP CS[C@@H](C)CC[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235120399 978979383 /nfs/dbraw/zinc/97/93/83/978979383.db2.gz AMTLETVRWAFACP-QWHCGFSZSA-N 2 1 242.432 2.346 20 0 BEADMP C[C@@H](CC[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1)CC(C)(C)C ZINC001235147044 978980763 /nfs/dbraw/zinc/98/07/63/978980763.db2.gz PPCPWMLMKYUCLG-OBJOEFQTSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H](CC[N@H+]1C[C@@H]2C[C@]2([NH3+])C1)CC(C)(C)C ZINC001235147044 978980768 /nfs/dbraw/zinc/98/07/68/978980768.db2.gz PPCPWMLMKYUCLG-OBJOEFQTSA-N 2 1 224.392 2.482 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235160307 978983854 /nfs/dbraw/zinc/98/38/54/978983854.db2.gz KQUKMEIUCUVPIA-DZGCQCFKSA-N 2 1 230.355 2.227 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235160307 978983861 /nfs/dbraw/zinc/98/38/61/978983861.db2.gz KQUKMEIUCUVPIA-DZGCQCFKSA-N 2 1 230.355 2.227 20 0 BEADMP C[C@H](CC[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1)CC(C)(C)C ZINC001235211542 979000517 /nfs/dbraw/zinc/00/05/17/979000517.db2.gz XLWWUBYWJDUQTE-NDBYEHHHSA-N 2 1 224.392 2.338 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2C[C@@H]3C[NH2+]CC[C@H]32)c(C)c1 ZINC001235261764 979013624 /nfs/dbraw/zinc/01/36/24/979013624.db2.gz PULLAPQYSGVTHP-GOEBONIOSA-N 2 1 244.382 2.406 20 0 BEADMP Cc1cc(C)c(C[N@H+]2C[C@@H]3C[NH2+]CC[C@H]32)c(C)c1 ZINC001235261764 979013632 /nfs/dbraw/zinc/01/36/32/979013632.db2.gz PULLAPQYSGVTHP-GOEBONIOSA-N 2 1 244.382 2.406 20 0 BEADMP C[C@H](CC[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1)CC(C)(C)C ZINC001235284473 979017453 /nfs/dbraw/zinc/01/74/53/979017453.db2.gz XLWWUBYWJDUQTE-FVCCEPFGSA-N 2 1 224.392 2.338 20 0 BEADMP Cc1cc(C)cc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)c1 ZINC001235711452 979128702 /nfs/dbraw/zinc/12/87/02/979128702.db2.gz PKEOVDCZTCNBDC-UHFFFAOYSA-N 2 1 244.382 2.489 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CCCC3(C[NH2+]C3)C2)c1 ZINC001235711452 979128706 /nfs/dbraw/zinc/12/87/06/979128706.db2.gz PKEOVDCZTCNBDC-UHFFFAOYSA-N 2 1 244.382 2.489 20 0 BEADMP [NH3+]CCCC[N@H+]1CC[C@@H]1COCc1ccccc1 ZINC001235716079 979129799 /nfs/dbraw/zinc/12/97/99/979129799.db2.gz YGRAREBGJVEAPF-OAHLLOKOSA-N 2 1 248.370 2.016 20 0 BEADMP CC(C)CCC[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235710540 979130848 /nfs/dbraw/zinc/13/08/48/979130848.db2.gz AJTPDWBTLWZFIC-UHFFFAOYSA-N 2 1 210.365 2.108 20 0 BEADMP CCC[C@@H](C)C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235710845 979131162 /nfs/dbraw/zinc/13/11/62/979131162.db2.gz HVEMWOQZNXPAGB-GFCCVEGCSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@H]1CC[N@H+](CC[C@H]2COC(C)(C)[NH2+]2)[C@@H](C)C1 ZINC001235820723 979160401 /nfs/dbraw/zinc/16/04/01/979160401.db2.gz UCCOJWSIDUCFCK-AVGNSLFASA-N 2 1 240.391 2.221 20 0 BEADMP C[C@H]1CC[N@@H+](CC[C@H]2COC(C)(C)[NH2+]2)[C@@H](C)C1 ZINC001235820723 979160411 /nfs/dbraw/zinc/16/04/11/979160411.db2.gz UCCOJWSIDUCFCK-AVGNSLFASA-N 2 1 240.391 2.221 20 0 BEADMP C[N@@H+](CC[C@H]1CCCC[NH2+]1)C[C@H]1CC1(C)C ZINC001235959554 979225828 /nfs/dbraw/zinc/22/58/28/979225828.db2.gz YRUHZIIAFDIEPQ-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)C[C@@H]1CC1(C)C ZINC001235958094 979226119 /nfs/dbraw/zinc/22/61/19/979226119.db2.gz GCLIEBOEIASZKK-RYUDHWBXSA-N 2 1 240.391 2.079 20 0 BEADMP C[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)C[C@@H]1CC1(C)C ZINC001235958094 979226132 /nfs/dbraw/zinc/22/61/32/979226132.db2.gz GCLIEBOEIASZKK-RYUDHWBXSA-N 2 1 240.391 2.079 20 0 BEADMP CCc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959610 979229048 /nfs/dbraw/zinc/22/90/48/979229048.db2.gz LOTJBQVVOMXAGG-MUJYYYPQSA-N 2 1 244.382 2.418 20 0 BEADMP Cc1cc(C)cc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235977247 979244100 /nfs/dbraw/zinc/24/41/00/979244100.db2.gz GEERZGFKHRQHEH-GJZGRUSLSA-N 2 1 230.355 2.227 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235977247 979244112 /nfs/dbraw/zinc/24/41/12/979244112.db2.gz GEERZGFKHRQHEH-GJZGRUSLSA-N 2 1 230.355 2.227 20 0 BEADMP Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1C ZINC001235977885 979247746 /nfs/dbraw/zinc/24/77/46/979247746.db2.gz HUWCUQKUXVSKJE-HUUCEWRRSA-N 2 1 230.355 2.227 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1C ZINC001235977885 979247761 /nfs/dbraw/zinc/24/77/61/979247761.db2.gz HUWCUQKUXVSKJE-HUUCEWRRSA-N 2 1 230.355 2.227 20 0 BEADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](CC1CCC(F)(F)CC1)C2 ZINC001235979932 979250335 /nfs/dbraw/zinc/25/03/35/979250335.db2.gz OKAOHBHAOSQZKI-VXGBXAGGSA-N 2 1 244.329 2.235 20 0 BEADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](CC1CCC(F)(F)CC1)C2 ZINC001235979932 979250347 /nfs/dbraw/zinc/25/03/47/979250347.db2.gz OKAOHBHAOSQZKI-VXGBXAGGSA-N 2 1 244.329 2.235 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235980373 979252637 /nfs/dbraw/zinc/25/26/37/979252637.db2.gz MPUQEIOXTLYYEV-CABCVRRESA-N 2 1 230.355 2.227 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235980373 979252647 /nfs/dbraw/zinc/25/26/47/979252647.db2.gz MPUQEIOXTLYYEV-CABCVRRESA-N 2 1 230.355 2.227 20 0 BEADMP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1c[nH]c3ccccc13)C2 ZINC001235982159 979256133 /nfs/dbraw/zinc/25/61/33/979256133.db2.gz UFWKGIFYLQLMKO-WFASDCNBSA-N 2 1 241.338 2.091 20 0 BEADMP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1c[nH]c3ccccc13)C2 ZINC001235982159 979256146 /nfs/dbraw/zinc/25/61/46/979256146.db2.gz UFWKGIFYLQLMKO-WFASDCNBSA-N 2 1 241.338 2.091 20 0 BEADMP CC/C=C\CCC[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235981103 979260740 /nfs/dbraw/zinc/26/07/40/979260740.db2.gz UNFQIVCJVABOMV-JXLSXLBDSA-N 2 1 208.349 2.156 20 0 BEADMP [NH3+][C@@]12CC[C@H]1C[N@H+](CCCc1ccc(F)cc1)C2 ZINC001235981478 979263095 /nfs/dbraw/zinc/26/30/95/979263095.db2.gz VZKSCWOWWVWSTD-DZGCQCFKSA-N 2 1 248.345 2.181 20 0 BEADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](CCCc1ccc(F)cc1)C2 ZINC001235981478 979263103 /nfs/dbraw/zinc/26/31/03/979263103.db2.gz VZKSCWOWWVWSTD-DZGCQCFKSA-N 2 1 248.345 2.181 20 0 BEADMP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1cccc3ccoc31)C2 ZINC001235984204 979266939 /nfs/dbraw/zinc/26/69/39/979266939.db2.gz BCWJNGQVQUJSEO-HIFRSBDPSA-N 2 1 242.322 2.356 20 0 BEADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1cccc3ccoc31)C2 ZINC001235984204 979266950 /nfs/dbraw/zinc/26/69/50/979266950.db2.gz BCWJNGQVQUJSEO-HIFRSBDPSA-N 2 1 242.322 2.356 20 0 BEADMP CCCC[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236006289 979294291 /nfs/dbraw/zinc/29/42/91/979294291.db2.gz OJVUWKBLYBKJPI-CVEARBPZSA-N 2 1 244.382 2.260 20 0 BEADMP CC/C=C\CCC[N@@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC001236043963 979337233 /nfs/dbraw/zinc/33/72/33/979337233.db2.gz HBNDFKIVQOTBMG-OEFFGFFESA-N 2 1 210.365 2.402 20 0 BEADMP CCC[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236060422 979353568 /nfs/dbraw/zinc/35/35/68/979353568.db2.gz QDVLEQTXOQYKFW-AVGNSLFASA-N 2 1 210.365 2.106 20 0 BEADMP Nc1ccc2c(c1)CC[N@H+](CCCCCC[NH3+])C2 ZINC001236104283 979391991 /nfs/dbraw/zinc/39/19/91/979391991.db2.gz AGYFADIUVXDODW-UHFFFAOYSA-N 2 1 247.386 2.146 20 0 BEADMP CNc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236218336 979455141 /nfs/dbraw/zinc/45/51/41/979455141.db2.gz SDEVTIORHRFACZ-CABCVRRESA-N 2 1 247.386 2.430 20 0 BEADMP CNc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236218336 979455146 /nfs/dbraw/zinc/45/51/46/979455146.db2.gz SDEVTIORHRFACZ-CABCVRRESA-N 2 1 247.386 2.430 20 0 BEADMP CCc1ccc(C[N@@H+]2CC[NH2+]CC[C@H]2C)cc1 ZINC000085622283 979524129 /nfs/dbraw/zinc/52/41/29/979524129.db2.gz WIADZDXRHAQHPI-CYBMUJFWSA-N 2 1 232.371 2.433 20 0 BEADMP CCc1ccc(C[N@H+]2CC[NH2+]CC[C@H]2C)cc1 ZINC000085622283 979524135 /nfs/dbraw/zinc/52/41/35/979524135.db2.gz WIADZDXRHAQHPI-CYBMUJFWSA-N 2 1 232.371 2.433 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1cccc2c1CCC2 ZINC001236419281 979592995 /nfs/dbraw/zinc/59/29/95/979592995.db2.gz LLLRUOYYTZZBGL-MLGOLLRUSA-N 2 1 244.382 2.487 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1cccc2c1CCC2 ZINC001236419281 979593002 /nfs/dbraw/zinc/59/30/02/979593002.db2.gz LLLRUOYYTZZBGL-MLGOLLRUSA-N 2 1 244.382 2.487 20 0 BEADMP CC(C)CC[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206542131 979648742 /nfs/dbraw/zinc/64/87/42/979648742.db2.gz SDXMLUZCXBQJDL-ZDUSSCGKSA-N 2 1 212.381 2.483 20 0 BEADMP CC[C@H]([NH3+])C[N@H+](C)CCCc1ccc(C)o1 ZINC001236860461 979767543 /nfs/dbraw/zinc/76/75/43/979767543.db2.gz PPDCYXBJKMXLML-LBPRGKRZSA-N 2 1 224.348 2.190 20 0 BEADMP CC[C@H]([NH3+])C[N@@H+](C)CCCc1ccc(C)o1 ZINC001236860461 979767550 /nfs/dbraw/zinc/76/75/50/979767550.db2.gz PPDCYXBJKMXLML-LBPRGKRZSA-N 2 1 224.348 2.190 20 0 BEADMP [NH3+]CC[N@@H+]1CCC[C@H](CCc2ccccc2)C1 ZINC001236951243 979796004 /nfs/dbraw/zinc/79/60/04/979796004.db2.gz WIBZLWBGDUHLIO-OAHLLOKOSA-N 2 1 232.371 2.290 20 0 BEADMP [NH3+]CC[N@H+]1CCC[C@H](CCc2ccccc2)C1 ZINC001236951243 979796011 /nfs/dbraw/zinc/79/60/11/979796011.db2.gz WIBZLWBGDUHLIO-OAHLLOKOSA-N 2 1 232.371 2.290 20 0 BEADMP Cc1ncsc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205266736 979821900 /nfs/dbraw/zinc/82/19/00/979821900.db2.gz XAYCMXDNZHTMEC-GFCCVEGCSA-N 2 1 239.388 2.155 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)o1 ZINC001237382183 979877499 /nfs/dbraw/zinc/87/74/99/979877499.db2.gz MDCYDEBATOYATP-GXTWGEPZSA-N 2 1 234.343 2.162 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)o1 ZINC001237382183 979877501 /nfs/dbraw/zinc/87/75/01/979877501.db2.gz MDCYDEBATOYATP-GXTWGEPZSA-N 2 1 234.343 2.162 20 0 BEADMP CS[C@H](C)CC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237383584 979879670 /nfs/dbraw/zinc/87/96/70/979879670.db2.gz QQAIOHKBXDQBBJ-AGIUHOORSA-N 2 1 242.432 2.202 20 0 BEADMP Cc1cc(O)cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205281529 979885169 /nfs/dbraw/zinc/88/51/69/979885169.db2.gz ULYGCISKMJRWLZ-OAHLLOKOSA-N 2 1 248.370 2.404 20 0 BEADMP CCc1cccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)n1 ZINC001205287937 979930423 /nfs/dbraw/zinc/93/04/23/979930423.db2.gz DUANUYYXFDWFKV-OAHLLOKOSA-N 2 1 247.386 2.347 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)[C@H]2C1 ZINC001184388517 980063146 /nfs/dbraw/zinc/06/31/46/980063146.db2.gz RBCSLZRMNBMZNS-LGFJLYTPSA-N 2 1 248.414 2.352 20 0 BEADMP c1[nH+]cn2c1cccc2C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001238109678 980161859 /nfs/dbraw/zinc/16/18/59/980161859.db2.gz IQAJOBKPEQBAGS-SMDDNHRTSA-N 2 1 227.311 2.319 20 0 BEADMP CC[N@@H+](CCCn1ccnc1)C(C)(C)C ZINC001344337149 980371719 /nfs/dbraw/zinc/37/17/19/980371719.db2.gz YUCNDMLRIRDDME-UHFFFAOYSA-N 2 1 209.337 2.394 20 0 BEADMP C[N@H+]1CCc2ccc(C3=CCC[NH2+]CC3)cc2C1 ZINC001238951554 980388425 /nfs/dbraw/zinc/38/84/25/980388425.db2.gz WIILDRHNPSSVBO-UHFFFAOYSA-N 2 1 242.366 2.441 20 0 BEADMP COC(=[NH2+])c1cccc(C2=CCC[NH2+]CC2)c1 ZINC001238948593 980389110 /nfs/dbraw/zinc/38/91/10/980389110.db2.gz ZEWOBLPNHBXASE-UHFFFAOYSA-N 2 1 230.311 2.425 20 0 BEADMP CC(C)(C)C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205537224 980904559 /nfs/dbraw/zinc/90/45/59/980904559.db2.gz GINDTEBRXHKIIO-LBPRGKRZSA-N 2 1 216.344 2.185 20 0 BEADMP CCCCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205602645 981165966 /nfs/dbraw/zinc/16/59/66/981165966.db2.gz KXRDNHFAAANRKN-OLZOCXBDSA-N 2 1 212.381 2.483 20 0 BEADMP C[C@H]1CCC[N@@H+](CCCCNc2cc[nH+]cc2)C1 ZINC001347772058 981169537 /nfs/dbraw/zinc/16/95/37/981169537.db2.gz JZNLBQLFYYIGJM-AWEZNQCLSA-N 2 1 247.386 2.428 20 0 BEADMP c1cc2cccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2o1 ZINC001347782796 981171820 /nfs/dbraw/zinc/17/18/20/981171820.db2.gz VMWIWPJCJJEHPF-OKILXGFUSA-N 2 1 242.322 2.084 20 0 BEADMP Cc1c[nH]c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1C ZINC001205625257 981271001 /nfs/dbraw/zinc/27/10/01/981271001.db2.gz ANUJZYQKDVSXTA-BXUZGUMPSA-N 2 1 249.402 2.438 20 0 BEADMP CO[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001348100599 981281238 /nfs/dbraw/zinc/28/12/38/981281238.db2.gz YFSFFZCTDWMZJU-RWMBFGLXSA-N 2 1 240.391 2.016 20 0 BEADMP C[N@H+]1CC[C@H](c2ccc(C3=CC[NH2+]CC3)cc2)C1 ZINC001240470278 981407150 /nfs/dbraw/zinc/40/71/50/981407150.db2.gz LKBLTYBVHNSYET-INIZCTEOSA-N 2 1 242.366 2.482 20 0 BEADMP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC001580895171 981725949 /nfs/dbraw/zinc/72/59/49/981725949.db2.gz FFTUGPSODQRQTR-XFIYOXNOSA-N 2 1 242.366 2.273 20 0 BEADMP COc1cc(C)[nH+]cc1C=C1CC[NH2+]CC1 ZINC001240877024 981926984 /nfs/dbraw/zinc/92/69/84/981926984.db2.gz LGUSMFOYJYGLAO-UHFFFAOYSA-N 2 1 218.300 2.165 20 0 BEADMP C[N@@H+]1CC=C(c2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001241319176 982471658 /nfs/dbraw/zinc/47/16/58/982471658.db2.gz DUMZEBOXYYDJAV-UHFFFAOYSA-N 2 1 228.339 2.051 20 0 BEADMP C[N@@H+]1CC=C(c2ccc3c(c2)CC[NH2+]C3)CC1 ZINC001241319307 982477989 /nfs/dbraw/zinc/47/79/89/982477989.db2.gz HGLIDGYUMPQPKN-UHFFFAOYSA-N 2 1 228.339 2.051 20 0 BEADMP C[N@@H+]1CC=C(c2cccc(C3([NH3+])CC3)c2)CC1 ZINC001241330036 982492417 /nfs/dbraw/zinc/49/24/17/982492417.db2.gz GJTAKJKVKYKKSP-UHFFFAOYSA-N 2 1 228.339 2.353 20 0 BEADMP COC(=[NH2+])c1cccc(C2=CCC[N@H+](C)C2)c1 ZINC001241570868 982823548 /nfs/dbraw/zinc/82/35/48/982823548.db2.gz PCPQLEXRHVBXLD-UHFFFAOYSA-N 2 1 230.311 2.377 20 0 BEADMP COC(=[NH2+])c1cccc(C2=CCC[N@@H+](C)C2)c1 ZINC001241570868 982823550 /nfs/dbraw/zinc/82/35/50/982823550.db2.gz PCPQLEXRHVBXLD-UHFFFAOYSA-N 2 1 230.311 2.377 20 0 BEADMP CC[N@H+]1C[C@H](C)N(c2cc[nH+]cc2)C[C@@H]1C ZINC001354019631 983116996 /nfs/dbraw/zinc/11/69/96/983116996.db2.gz UBOVYSZGSRIGEY-RYUDHWBXSA-N 2 1 219.332 2.001 20 0 BEADMP CS[C@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCC2)C1 ZINC001354171428 983181539 /nfs/dbraw/zinc/18/15/39/983181539.db2.gz QSEPLSNSTJCZRN-OLZOCXBDSA-N 2 1 242.432 2.346 20 0 BEADMP CC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001201587735 983349554 /nfs/dbraw/zinc/34/95/54/983349554.db2.gz XFDKMCLDPCNZCF-HZPDHXFCSA-N 2 1 244.382 2.460 20 0 BEADMP CC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201587735 983349556 /nfs/dbraw/zinc/34/95/56/983349556.db2.gz XFDKMCLDPCNZCF-HZPDHXFCSA-N 2 1 244.382 2.460 20 0 BEADMP CC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201587735 983349559 /nfs/dbraw/zinc/34/95/59/983349559.db2.gz XFDKMCLDPCNZCF-HZPDHXFCSA-N 2 1 244.382 2.460 20 0 BEADMP CC[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001201586903 983351672 /nfs/dbraw/zinc/35/16/72/983351672.db2.gz WNGVAPXNOWYUDP-STQMWFEESA-N 2 1 210.365 2.345 20 0 BEADMP CC[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001201586903 983351682 /nfs/dbraw/zinc/35/16/82/983351682.db2.gz WNGVAPXNOWYUDP-STQMWFEESA-N 2 1 210.365 2.345 20 0 BEADMP CC[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001201586903 983351689 /nfs/dbraw/zinc/35/16/89/983351689.db2.gz WNGVAPXNOWYUDP-STQMWFEESA-N 2 1 210.365 2.345 20 0 BEADMP CC[N@@H+]1C[C@@H]2C[NH+](CCc3ccccc3)C[C@@H]2C1 ZINC001201609537 983375368 /nfs/dbraw/zinc/37/53/68/983375368.db2.gz GKOSGZYDNOUMJA-IYBDPMFKSA-N 2 1 244.382 2.113 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+](CCc3ccccc3)C[C@@H]2C1 ZINC001201609537 983375375 /nfs/dbraw/zinc/37/53/75/983375375.db2.gz GKOSGZYDNOUMJA-IYBDPMFKSA-N 2 1 244.382 2.113 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@H+](CCc3ccccc3)C[C@@H]2C1 ZINC001201609537 983375381 /nfs/dbraw/zinc/37/53/81/983375381.db2.gz GKOSGZYDNOUMJA-IYBDPMFKSA-N 2 1 244.382 2.113 20 0 BEADMP CCCCC[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201737533 983446768 /nfs/dbraw/zinc/44/67/68/983446768.db2.gz SJZWJEXFBGIPFV-CHWSQXEVSA-N 2 1 210.365 2.060 20 0 BEADMP CCCCC[NH+]1CCC([NH+]2CCC2)CC1 ZINC001201744357 983450612 /nfs/dbraw/zinc/45/06/12/983450612.db2.gz JHKXESBCPOKWMT-UHFFFAOYSA-N 2 1 210.365 2.347 20 0 BEADMP CC(C)CC[C@@H](O)C[NH2+]CCC[N@@H+](C)C(C)C ZINC001356569832 983630566 /nfs/dbraw/zinc/63/05/66/983630566.db2.gz QAIYWEGUIGZRRC-CQSZACIVSA-N 2 1 244.423 2.103 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC001474302673 983902098 /nfs/dbraw/zinc/90/20/98/983902098.db2.gz CKULLGIGSYMHSY-HRCADAONSA-N 2 1 244.382 2.425 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001574801780 984117086 /nfs/dbraw/zinc/11/70/86/984117086.db2.gz WYSSSESRXOGJKA-KBXIAJHMSA-N 2 1 234.387 2.251 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001574801780 984117091 /nfs/dbraw/zinc/11/70/91/984117091.db2.gz WYSSSESRXOGJKA-KBXIAJHMSA-N 2 1 234.387 2.251 20 0 BEADMP CC[C@@H](C)CC[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001576983618 984186597 /nfs/dbraw/zinc/18/65/97/984186597.db2.gz CFXWWKONBHOFDU-BDAKNGLRSA-N 2 1 226.286 2.292 20 0 BEADMP C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001275044544 984449897 /nfs/dbraw/zinc/44/98/97/984449897.db2.gz BPTGVIOFCHHIPC-BETUJISGSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001275044544 984449907 /nfs/dbraw/zinc/44/99/07/984449907.db2.gz BPTGVIOFCHHIPC-BETUJISGSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001275044544 984449913 /nfs/dbraw/zinc/44/99/13/984449913.db2.gz BPTGVIOFCHHIPC-BETUJISGSA-N 2 1 222.376 2.203 20 0 BEADMP CC[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001275085059 984480529 /nfs/dbraw/zinc/48/05/29/984480529.db2.gz MXONOTHMIQTNEY-UHFFFAOYSA-N 2 1 247.386 2.323 20 0 BEADMP CC[NH2+]CCC[NH2+]Cc1nccc2c1CCCC2 ZINC001577846167 984810024 /nfs/dbraw/zinc/81/00/24/984810024.db2.gz ZRCNVJYPIPAQQM-UHFFFAOYSA-N 2 1 247.386 2.050 20 0 BEADMP C[N@@H+](CCCCOC(C)(C)C)CC(C)(C)C[NH3+] ZINC001578465789 985101489 /nfs/dbraw/zinc/10/14/89/985101489.db2.gz ODCGKLSNRXJJST-UHFFFAOYSA-N 2 1 244.423 2.498 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(CC(C)C)nc1 ZINC001578570712 985214437 /nfs/dbraw/zinc/21/44/37/985214437.db2.gz BAIMFXIGZMHAIZ-ZDUSSCGKSA-N 2 1 249.402 2.368 20 0 BEADMP CO[C@@H]1CC[C@H](C)[N@@H+](CCCCCC[NH3+])C1 ZINC000687191889 985257085 /nfs/dbraw/zinc/25/70/85/985257085.db2.gz BNLQZWUXBYQGGL-QWHCGFSZSA-N 2 1 228.380 2.005 20 0 BEADMP CO[C@H]1CC[C@@H](C)[N@@H+](CCCCCC[NH3+])C1 ZINC000687191888 985257458 /nfs/dbraw/zinc/25/74/58/985257458.db2.gz BNLQZWUXBYQGGL-OLZOCXBDSA-N 2 1 228.380 2.005 20 0 BEADMP CC(C)[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000688038472 985509124 /nfs/dbraw/zinc/50/91/24/985509124.db2.gz LJPMKGKLDQNEIZ-UHFFFAOYSA-N 2 1 224.373 2.234 20 0 BEADMP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000688242614 985588125 /nfs/dbraw/zinc/58/81/25/985588125.db2.gz VHGDVTZWLSGJEG-GHMZBOCLSA-N 2 1 232.318 2.233 20 0 BEADMP C(CC1CCC1)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000688381985 985625483 /nfs/dbraw/zinc/62/54/83/985625483.db2.gz PPXWMJSYCICJSX-UONOGXRCSA-N 2 1 222.376 2.108 20 0 BEADMP [NH3+]C[C@H]1CCCC[N@@H+](CCCc2ccncc2)C1 ZINC001206606112 985894216 /nfs/dbraw/zinc/89/42/16/985894216.db2.gz DNSRKESDTJYVOD-OAHLLOKOSA-N 2 1 247.386 2.075 20 0 BEADMP [NH3+]C[C@@H]1CCCC[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001206606786 985935396 /nfs/dbraw/zinc/93/53/96/985935396.db2.gz SKGZWBPAJLSXAK-XQLPTFJDSA-N 2 1 234.387 2.259 20 0 BEADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc(C)n1 ZINC001579598176 986110270 /nfs/dbraw/zinc/11/02/70/986110270.db2.gz GYXKIMXDXZRSCI-HIFRSBDPSA-N 2 1 247.386 2.258 20 0 BEADMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(C)o1 ZINC001579598533 986118722 /nfs/dbraw/zinc/11/87/22/986118722.db2.gz ZRTJBNVWLAHNHE-ZWNOBZJWSA-N 2 1 236.359 2.313 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC001462193787 986306970 /nfs/dbraw/zinc/30/69/70/986306970.db2.gz VFLIQLUYFIITBG-ZOBORPQBSA-N 2 1 224.392 2.495 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)CC1CCC1 ZINC001202792958 986312663 /nfs/dbraw/zinc/31/26/63/986312663.db2.gz PMAKYLNCEWNASH-UHFFFAOYSA-N 2 1 212.381 2.450 20 0 BEADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccns2)C1 ZINC001206564200 986392127 /nfs/dbraw/zinc/39/21/27/986392127.db2.gz MYAIFFZUMLMCDS-GFCCVEGCSA-N 2 1 239.388 2.094 20 0 BEADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccns2)C1 ZINC001206564200 986392136 /nfs/dbraw/zinc/39/21/36/986392136.db2.gz MYAIFFZUMLMCDS-GFCCVEGCSA-N 2 1 239.388 2.094 20 0 BEADMP Fc1cccc(C2CC([NH2+]C[C@@H]3CC[NH2+]3)C2)c1 ZINC001580033734 986437021 /nfs/dbraw/zinc/43/70/21/986437021.db2.gz ZSPNHTVFQDGNQN-QRMWWUJWSA-N 2 1 234.318 2.023 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@H]3C3CCC3)[C@H]2C1 ZINC001462674642 986504461 /nfs/dbraw/zinc/50/44/61/986504461.db2.gz YXXHIYMLCXKQJR-GVRJEKJASA-N 2 1 248.414 2.495 20 0 BEADMP C[C@@H]1C[N@H+]([C@@H]2CCC[NH+](C)CC2)CCC1(F)F ZINC001254516815 986653659 /nfs/dbraw/zinc/65/36/59/986653659.db2.gz QAYPYOGYXZBCRG-VXGBXAGGSA-N 2 1 246.345 2.448 20 0 BEADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](C)CC2)CCC1(F)F ZINC001254516815 986653668 /nfs/dbraw/zinc/65/36/68/986653668.db2.gz QAYPYOGYXZBCRG-VXGBXAGGSA-N 2 1 246.345 2.448 20 0 BEADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)CCC1(F)F ZINC001254516815 986653681 /nfs/dbraw/zinc/65/36/81/986653681.db2.gz QAYPYOGYXZBCRG-VXGBXAGGSA-N 2 1 246.345 2.448 20 0 BEADMP C[C@H]1C[N@H+]([C@@H]2CCC[NH+](C)CC2)CCC1(F)F ZINC001254516813 986659627 /nfs/dbraw/zinc/65/96/27/986659627.db2.gz QAYPYOGYXZBCRG-NWDGAFQWSA-N 2 1 246.345 2.448 20 0 BEADMP C[C@H]1C[NH+]([C@@H]2CCC[N@H+](C)CC2)CCC1(F)F ZINC001254516813 986659638 /nfs/dbraw/zinc/65/96/38/986659638.db2.gz QAYPYOGYXZBCRG-NWDGAFQWSA-N 2 1 246.345 2.448 20 0 BEADMP C[C@H]1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)CCC1(F)F ZINC001254516813 986659648 /nfs/dbraw/zinc/65/96/48/986659648.db2.gz QAYPYOGYXZBCRG-NWDGAFQWSA-N 2 1 246.345 2.448 20 0 BEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccn2C(F)F)C1 ZINC001580288355 986731780 /nfs/dbraw/zinc/73/17/80/986731780.db2.gz KBBIJTVEGCXPEP-JTQLQIEISA-N 2 1 243.301 2.054 20 0 BEADMP Cc1cc(C)c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)[nH]1 ZINC001137331143 986789702 /nfs/dbraw/zinc/78/97/02/986789702.db2.gz RIPMPTBXBHKTHU-HNNXBMFYSA-N 2 1 247.386 2.159 20 0 BEADMP Cc1cc(C)c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)[nH]1 ZINC001137331143 986789713 /nfs/dbraw/zinc/78/97/13/986789713.db2.gz RIPMPTBXBHKTHU-HNNXBMFYSA-N 2 1 247.386 2.159 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)[nH]1 ZINC001137331143 986789726 /nfs/dbraw/zinc/78/97/26/986789726.db2.gz RIPMPTBXBHKTHU-HNNXBMFYSA-N 2 1 247.386 2.159 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)[nH]1 ZINC001137331143 986789735 /nfs/dbraw/zinc/78/97/35/986789735.db2.gz RIPMPTBXBHKTHU-HNNXBMFYSA-N 2 1 247.386 2.159 20 0 BEADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC001580422782 986839835 /nfs/dbraw/zinc/83/98/35/986839835.db2.gz DKAHPDHAIWJICD-PHIMTYICSA-N 2 1 216.284 2.012 20 0 BEADMP Cc1cccc(C(=[NH2+])N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001255472742 986972031 /nfs/dbraw/zinc/97/20/31/986972031.db2.gz FVUIMTRNELCLLK-CYBMUJFWSA-N 2 1 231.343 2.004 20 0 BEADMP Cc1cccc(C(=[NH2+])N[C@@H]2CCC[N@H+](C)C2)c1 ZINC001255472742 986972042 /nfs/dbraw/zinc/97/20/42/986972042.db2.gz FVUIMTRNELCLLK-CYBMUJFWSA-N 2 1 231.343 2.004 20 0 BEADMP COC[C@H](C)[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255565417 987019866 /nfs/dbraw/zinc/01/98/66/987019866.db2.gz PNOKCRWCWWEIIG-IHRRRGAJSA-N 2 1 242.407 2.249 20 0 BEADMP CCCCC[C@@H](O)C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246020322 987310097 /nfs/dbraw/zinc/31/00/97/987310097.db2.gz KQOVEPXQNLBHEW-KGLIPLIRSA-N 2 1 242.407 2.131 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@]12C[C@@H]1CCCC2 ZINC000693563223 987313463 /nfs/dbraw/zinc/31/34/63/987313463.db2.gz AUABHAFMHXPEGN-XDQVBPFNSA-N 2 1 222.376 2.297 20 0 BEADMP CC1(C)CCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000697039324 987345905 /nfs/dbraw/zinc/34/59/05/987345905.db2.gz FZCYBYICHPKXDX-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP CC[C@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000697044077 987345994 /nfs/dbraw/zinc/34/59/94/987345994.db2.gz ZEMJLSWVOCGFDM-STQMWFEESA-N 2 1 210.365 2.108 20 0 BEADMP CC1(C)CCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000697039323 987346617 /nfs/dbraw/zinc/34/66/17/987346617.db2.gz FZCYBYICHPKXDX-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP CCC[N@@H+](C[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000697039773 987346905 /nfs/dbraw/zinc/34/69/05/987346905.db2.gz GVTCZXJJHKPKAC-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP C([C@@H]1CCCC[NH2+]C1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000697052292 987348321 /nfs/dbraw/zinc/34/83/21/987348321.db2.gz MXPFKWSSNLXYEM-MCIONIFRSA-N 2 1 222.376 2.108 20 0 BEADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000697037161 987348400 /nfs/dbraw/zinc/34/84/00/987348400.db2.gz OBGWUAAIFFDMND-MELADBBJSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000697037159 987348619 /nfs/dbraw/zinc/34/86/19/987348619.db2.gz OBGWUAAIFFDMND-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@@H+](Cc1ccccn1)C[C@@H]1CCCC[NH2+]C1 ZINC000697091158 987352286 /nfs/dbraw/zinc/35/22/86/987352286.db2.gz UGNFALDSSUNHRQ-CQSZACIVSA-N 2 1 247.386 2.293 20 0 BEADMP CC[N@H+](Cc1ccccn1)C[C@@H]1CCCC[NH2+]C1 ZINC000697091158 987352297 /nfs/dbraw/zinc/35/22/97/987352297.db2.gz UGNFALDSSUNHRQ-CQSZACIVSA-N 2 1 247.386 2.293 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]C2(C)CCCCC2)C[NH2+]1 ZINC001246080831 987376788 /nfs/dbraw/zinc/37/67/88/987376788.db2.gz KPWVNTAWDGJGJC-NWDGAFQWSA-N 2 1 210.365 2.439 20 0 BEADMP CC[C@@H]1CC[C@@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC001246096937 987408849 /nfs/dbraw/zinc/40/88/49/987408849.db2.gz MGYDQZSXIYEYTJ-LPWJVIDDSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCC[C@H](C)C1 ZINC001246102791 987426575 /nfs/dbraw/zinc/42/65/75/987426575.db2.gz QVUWSIHYHLYEBM-QNWHQSFQSA-N 2 1 210.365 2.153 20 0 BEADMP CCSC[C@H](C)[NH2+]C[C@H]1CC[C@H](C)C[NH2+]1 ZINC001246105876 987434316 /nfs/dbraw/zinc/43/43/16/987434316.db2.gz ONCBRDOTWPBIMD-SDDRHHMPSA-N 2 1 230.421 2.106 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C[NH2+]1 ZINC001246110562 987446200 /nfs/dbraw/zinc/44/62/00/987446200.db2.gz MUQCRMUJQVMYFY-OUAUKWLOSA-N 2 1 232.318 2.152 20 0 BEADMP CC(C)COCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246116012 987456146 /nfs/dbraw/zinc/45/61/46/987456146.db2.gz CZHQDIYWQGAGFJ-HZSPNIEDSA-N 2 1 242.407 2.025 20 0 BEADMP CC[C@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC001246117856 987463376 /nfs/dbraw/zinc/46/33/76/987463376.db2.gz MGYDQZSXIYEYTJ-YVECIDJPSA-N 2 1 210.365 2.153 20 0 BEADMP CSC(C)(C)C[C@H](C)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246127368 987473277 /nfs/dbraw/zinc/47/32/77/987473277.db2.gz BPCWPKGBPRVARP-WDEREUQCSA-N 2 1 242.432 2.248 20 0 BEADMP CSC(C)(C)C[C@H](C)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246127366 987473840 /nfs/dbraw/zinc/47/38/40/987473840.db2.gz BPCWPKGBPRVARP-QWRGUYRKSA-N 2 1 242.432 2.248 20 0 BEADMP CCc1ccc(CC[NH2+][C@H]2C[NH2+][C@H](C)C2)cc1 ZINC001246157315 987523904 /nfs/dbraw/zinc/52/39/04/987523904.db2.gz GFWWTMLVJDTAQR-IUODEOHRSA-N 2 1 232.371 2.132 20 0 BEADMP C[C@H]1CC([NH2+]C[C@@]2(F)CCC[NH2+]C2)C[C@H](C)C1 ZINC001246170212 987534962 /nfs/dbraw/zinc/53/49/62/987534962.db2.gz FCODBAIPUQLPES-YRGRVCCFSA-N 2 1 242.382 2.492 20 0 BEADMP Cc1ccnc(CCC[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC001246240042 987639536 /nfs/dbraw/zinc/63/95/36/987639536.db2.gz LIYYFPIYDQFJIW-ZFWWWQNUSA-N 2 1 247.386 2.053 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]CCCCc2ccccn2)C[NH2+]1 ZINC001246241036 987642084 /nfs/dbraw/zinc/64/20/84/987642084.db2.gz VFJIUMHJNVGKQC-DZGCQCFKSA-N 2 1 247.386 2.134 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CC(C(F)F)C2)C1 ZINC001116619926 987646039 /nfs/dbraw/zinc/64/60/39/987646039.db2.gz YFDOBEUEPODDMM-UNXYVOJBSA-N 2 1 246.345 2.352 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H](C)Cc1ccccc1Cl ZINC001246274350 987669191 /nfs/dbraw/zinc/66/91/91/987669191.db2.gz WFUOPAVWPWGELP-NSHDSACASA-N 2 1 240.778 2.470 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccn2)C2CC2)CC[NH2+]1 ZINC001246276232 987670308 /nfs/dbraw/zinc/67/03/08/987670308.db2.gz BUMODDKSPDTPNI-ZLDLUXBVSA-N 2 1 245.370 2.263 20 0 BEADMP C[C@H]1C[C@H]([NH2+][C@H]2CCCc3cccnc32)CC[NH2+]1 ZINC001246296278 987688355 /nfs/dbraw/zinc/68/83/55/987688355.db2.gz RUDCHOOVYGMSGO-YUTCNCBUSA-N 2 1 245.370 2.189 20 0 BEADMP CC[NH+]1CCC(C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC001474401161 987711690 /nfs/dbraw/zinc/71/16/90/987711690.db2.gz HPTPIJMHFDOGHW-CYBMUJFWSA-N 2 1 242.432 2.156 20 0 BEADMP CC[C@H]1CC[C@@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC001246329205 987730311 /nfs/dbraw/zinc/73/03/11/987730311.db2.gz MGYDQZSXIYEYTJ-RVMXOQNASA-N 2 1 210.365 2.153 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C)C1 ZINC001246328281 987736289 /nfs/dbraw/zinc/73/62/89/987736289.db2.gz WXXBJANRIDGYFV-LOWDOPEQSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C2(C)Cc3ccccc3C2)C[NH2+]1 ZINC001246347168 987754704 /nfs/dbraw/zinc/75/47/04/987754704.db2.gz GHSYVXMCSFIKRX-IUODEOHRSA-N 2 1 244.382 2.274 20 0 BEADMP CC[C@@H]1C[C@H]([NH2+]C(C)(C)CC[NH3+])C[C@H](CC)[NH2+]1 ZINC001246362484 987767841 /nfs/dbraw/zinc/76/78/41/987767841.db2.gz LWPQJQLCRDVLFV-ITGUQSILSA-N 3 1 241.423 2.013 20 0 BEADMP CC[C@H]1CC([NH2+]C(C)(C)CC[NH3+])C[C@H](CC)[NH2+]1 ZINC001246362485 987768771 /nfs/dbraw/zinc/76/87/71/987768771.db2.gz LWPQJQLCRDVLFV-RYUDHWBXSA-N 3 1 241.423 2.013 20 0 BEADMP Cc1cc2c(cn1)[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)CC2 ZINC001246374793 987776861 /nfs/dbraw/zinc/77/68/61/987776861.db2.gz VHPZQGRCDWQGEM-OSAQELSMSA-N 2 1 245.370 2.107 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C(C)(C)CC2CC2)C[NH2+]1 ZINC001246395413 987783988 /nfs/dbraw/zinc/78/39/88/987783988.db2.gz VYRBRTVUYTWNOT-ZYHUDNBSSA-N 2 1 210.365 2.295 20 0 BEADMP CCCC[C@H](CC)[NH2+]C[C@H]1C[NH2+]CC(C)(C)O1 ZINC001246411409 987790723 /nfs/dbraw/zinc/79/07/23/987790723.db2.gz DDXFMKJKLHMKAB-QWHCGFSZSA-N 2 1 242.407 2.312 20 0 BEADMP CCCCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CC(C)(C)O1 ZINC001246411533 987791444 /nfs/dbraw/zinc/79/14/44/987791444.db2.gz FHNZASOJMKBBQD-CHWSQXEVSA-N 2 1 242.407 2.312 20 0 BEADMP CC(C)(C[NH2+][C@@H]1CCC[NH2+]C1)CC(F)(F)F ZINC001246445764 987803704 /nfs/dbraw/zinc/80/37/04/987803704.db2.gz HWDQKQKAZPZFLX-SECBINFHSA-N 2 1 238.297 2.307 20 0 BEADMP CC1(C)CC[C@H](C[NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001246438622 987799374 /nfs/dbraw/zinc/79/93/74/987799374.db2.gz YNKDONLSBGSFCG-RYUDHWBXSA-N 2 1 210.365 2.154 20 0 BEADMP CC[C@@H](C)C[C@H](CC)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246451887 987809281 /nfs/dbraw/zinc/80/92/81/987809281.db2.gz ICOGFOBAZNFFGY-KGLIPLIRSA-N 3 1 243.439 2.119 20 0 BEADMP Cc1ccc2c(c1)C[C@@H]([NH2+]CC[NH2+]C(C)C)CC2 ZINC001246466948 987825893 /nfs/dbraw/zinc/82/58/93/987825893.db2.gz XUSNGISAMAZQGC-INIZCTEOSA-N 2 1 246.398 2.440 20 0 BEADMP CCCC[C@@H](CCC)[NH2+][C@H]1C[NH2+][C@H](COC)C1 ZINC001246466593 987827040 /nfs/dbraw/zinc/82/70/40/987827040.db2.gz QZFZNUFPDLJBLH-MCIONIFRSA-N 2 1 242.407 2.312 20 0 BEADMP C[C@H](CC(F)(F)F)[NH2+][C@H]1CCCC[C@H]1[NH3+] ZINC001246478529 987838750 /nfs/dbraw/zinc/83/87/50/987838750.db2.gz PCWFXBBUWLUGEY-HLTSFMKQSA-N 2 1 224.270 2.187 20 0 BEADMP CCC[N@H+]([C@H](C)CC[NH2+]C)[C@@H](C)CC ZINC001246526801 987878448 /nfs/dbraw/zinc/87/84/48/987878448.db2.gz CRIXAFALJCJEMQ-NWDGAFQWSA-N 2 1 200.370 2.495 20 0 BEADMP CC(C)CC[C@@H](C)[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246532830 987889904 /nfs/dbraw/zinc/88/99/04/987889904.db2.gz KOFLUQNRCWMPBF-VXGBXAGGSA-N 2 1 210.365 2.234 20 0 BEADMP CC(C)CC[C@@H](C)[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246532830 987889910 /nfs/dbraw/zinc/88/99/10/987889910.db2.gz KOFLUQNRCWMPBF-VXGBXAGGSA-N 2 1 210.365 2.234 20 0 BEADMP CC[C@@H](C)OCC[C@@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246538454 987897276 /nfs/dbraw/zinc/89/72/76/987897276.db2.gz CCUVMRDCXGJJMG-REWJHTLYSA-N 2 1 242.407 2.107 20 0 BEADMP CC[C@@H]1CC[C@H]([N@H+]2CCC[C@H]([NH3+])CC2)C1 ZINC001246539260 987904843 /nfs/dbraw/zinc/90/48/43/987904843.db2.gz GPBUZHPAQFDDKA-AGIUHOORSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@H]1C[N@H+]([C@@H]2CCCC(C)(C)C2)C[C@H]1C[NH3+] ZINC001246539307 987905939 /nfs/dbraw/zinc/90/59/39/987905939.db2.gz HMRHMIUOXIVJDM-YNEHKIRRSA-N 2 1 224.392 2.482 20 0 BEADMP CC(C)COCC[C@@H](C)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246541812 987908213 /nfs/dbraw/zinc/90/82/13/987908213.db2.gz NSEKRSUTZPXJSL-KGLIPLIRSA-N 2 1 242.407 2.251 20 0 BEADMP CC1(C)CC[C@H]([N@H+]2CCC[C@H]([NH3+])CC2)C1 ZINC001246545344 987921596 /nfs/dbraw/zinc/92/15/96/987921596.db2.gz JHKFRHAUBAUUCY-RYUDHWBXSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@H]1C[N@H+](C2C[C@@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC001246544700 987922743 /nfs/dbraw/zinc/92/27/43/987922743.db2.gz YCTKIPWPYCQRNU-ZDEQEGDKSA-N 2 1 224.392 2.338 20 0 BEADMP Cc1ccc2c(c1)C[N@@H+]([C@H]1CC[NH2+][C@H](C)C1)CC2 ZINC001246547682 987925930 /nfs/dbraw/zinc/92/59/30/987925930.db2.gz MCZSYUFUBHUXES-CJNGLKHVSA-N 2 1 244.382 2.494 20 0 BEADMP C[C@H](CC(F)(F)F)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246548206 987939333 /nfs/dbraw/zinc/93/93/33/987939333.db2.gz SUJLEHKQVXJYME-BDAKNGLRSA-N 2 1 224.270 2.141 20 0 BEADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CCO1 ZINC001246551688 987951360 /nfs/dbraw/zinc/95/13/60/987951360.db2.gz MKFQZNDFZPNPCM-MCIONIFRSA-N 2 1 240.391 2.147 20 0 BEADMP F[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246556776 987966944 /nfs/dbraw/zinc/96/69/44/987966944.db2.gz DBNMLPBEUJHUAW-ACJTYDJDSA-N 2 1 226.339 2.093 20 0 BEADMP CCC[C@@H](CC)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246558286 987972627 /nfs/dbraw/zinc/97/26/27/987972627.db2.gz OWHGLZLENXWSOS-GHMZBOCLSA-N 2 1 234.334 2.481 20 0 BEADMP CCC[C@H](CC)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246558288 987975722 /nfs/dbraw/zinc/97/57/22/987975722.db2.gz OWHGLZLENXWSOS-MNOVXSKESA-N 2 1 234.334 2.481 20 0 BEADMP C[C@H]1CC[N@H+](C2CCCC2)CC[C@@H]1C[NH3+] ZINC001246558592 987976738 /nfs/dbraw/zinc/97/67/38/987976738.db2.gz MQPYQKBLGQPPRI-NWDGAFQWSA-N 2 1 210.365 2.236 20 0 BEADMP CCC[C@H](CC)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246558290 987978231 /nfs/dbraw/zinc/97/82/31/987978231.db2.gz OWHGLZLENXWSOS-QWRGUYRKSA-N 2 1 234.334 2.481 20 0 BEADMP CCOCC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246559232 987980957 /nfs/dbraw/zinc/98/09/57/987980957.db2.gz CLPGVGUHFFONKT-RDBSUJKOSA-N 2 1 242.407 2.108 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+]Cc1scnc1C1CC1 ZINC001118020000 987981011 /nfs/dbraw/zinc/98/10/11/987981011.db2.gz SOABGUMUCLHQKG-VIFPVBQESA-N 2 1 239.388 2.108 20 0 BEADMP CSCC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246559539 987981033 /nfs/dbraw/zinc/98/10/33/987981033.db2.gz BFLYFGWCWZSRHI-AVGNSLFASA-N 2 1 244.448 2.435 20 0 BEADMP CCOCC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246559224 987988102 /nfs/dbraw/zinc/98/81/02/987988102.db2.gz CLPGVGUHFFONKT-HZSPNIEDSA-N 2 1 242.407 2.108 20 0 BEADMP CCC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246561920 987995586 /nfs/dbraw/zinc/99/55/86/987995586.db2.gz USPCKZLEKUXPRL-RWMBFGLXSA-N 2 1 212.381 2.482 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC001118059123 988001473 /nfs/dbraw/zinc/00/14/73/988001473.db2.gz OIULIVFLPVAGGF-RYUDHWBXSA-N 2 1 238.379 2.113 20 0 BEADMP CCSC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246563597 988003922 /nfs/dbraw/zinc/00/39/22/988003922.db2.gz RZQZVGUMTJUMJC-RWMBFGLXSA-N 2 1 244.448 2.435 20 0 BEADMP C[C@H](CC1CC1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246563694 988004192 /nfs/dbraw/zinc/00/41/92/988004192.db2.gz XNYZMGKPMNROIE-BZPMIXESSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCC(F)(F)[C@H](C)C2)CC[NH2+]1 ZINC001246562941 988008946 /nfs/dbraw/zinc/00/89/46/988008946.db2.gz IKNHWNOWWILWQV-MXWKQRLJSA-N 2 1 232.318 2.104 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)C1 ZINC001246567932 988034212 /nfs/dbraw/zinc/03/42/12/988034212.db2.gz NELLSDZIAPVAML-SYQHCUMBSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(F)CC2)CC[NH2+]1 ZINC001246573129 988058725 /nfs/dbraw/zinc/05/87/25/988058725.db2.gz YUBYOFQTQWTFPD-AGIUHOORSA-N 2 1 228.355 2.341 20 0 BEADMP CCOCC[C@H](C)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246571258 988063544 /nfs/dbraw/zinc/06/35/44/988063544.db2.gz AREYRNVZLFEHKS-KBPBESRZSA-N 2 1 242.407 2.252 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)CCO1 ZINC001246576613 988085134 /nfs/dbraw/zinc/08/51/34/988085134.db2.gz LTSHHWBNKMLITL-MCIONIFRSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CCO1 ZINC001246579845 988105270 /nfs/dbraw/zinc/10/52/70/988105270.db2.gz LTSHHWBNKMLITL-BFHYXJOUSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@]1(C[NH3+])CCCC[N@H+](C2CCCC2)C1 ZINC001246584356 988123177 /nfs/dbraw/zinc/12/31/77/988123177.db2.gz LSJXYXLYZJMCSO-ZDUSSCGKSA-N 2 1 210.365 2.380 20 0 BEADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001246585015 988130977 /nfs/dbraw/zinc/13/09/77/988130977.db2.gz NRZXXXUJXNWLTQ-ZOBORPQBSA-N 2 1 222.376 2.236 20 0 BEADMP CC1(C)CC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)C1 ZINC001246595955 988187962 /nfs/dbraw/zinc/18/79/62/988187962.db2.gz YEOJRLSYVYPSRK-QJPTWQEYSA-N 2 1 228.355 2.326 20 0 BEADMP CC1(C)CC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)C1 ZINC001246595955 988187978 /nfs/dbraw/zinc/18/79/78/988187978.db2.gz YEOJRLSYVYPSRK-QJPTWQEYSA-N 2 1 228.355 2.326 20 0 BEADMP CC1CCC([N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246594595 988191119 /nfs/dbraw/zinc/19/11/19/988191119.db2.gz XBLGPJXENCJJDT-IFWUJCSASA-N 2 1 228.355 2.326 20 0 BEADMP CC1CCC([N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246594595 988191132 /nfs/dbraw/zinc/19/11/32/988191132.db2.gz XBLGPJXENCJJDT-IFWUJCSASA-N 2 1 228.355 2.326 20 0 BEADMP CCc1ccc(C[C@@H](C)[NH+]2CC(C[NH2+]C)C2)cc1 ZINC001246601383 988209523 /nfs/dbraw/zinc/20/95/23/988209523.db2.gz SQUGOSOCDIWDFZ-CYBMUJFWSA-N 2 1 246.398 2.331 20 0 BEADMP CCCC[C@H](CCC)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246611218 988240410 /nfs/dbraw/zinc/24/04/10/988240410.db2.gz BBHMJIZRQRQFRL-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@H](CC1CC1)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246613398 988241018 /nfs/dbraw/zinc/24/10/18/988241018.db2.gz YWYDPKQYAJYZID-TZMCWYRMSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)C[C@@H](C)C1 ZINC001246625032 988284218 /nfs/dbraw/zinc/28/42/18/988284218.db2.gz QTZNGDUNHBQJRF-XPABHHOTSA-N 2 1 236.403 2.495 20 0 BEADMP CCCCC[C@@H](CC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246628083 988291098 /nfs/dbraw/zinc/29/10/98/988291098.db2.gz WVPQFPZHIMULPB-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CCC[C@@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246629652 988304634 /nfs/dbraw/zinc/30/46/34/988304634.db2.gz FQPZPGIEUVFHPP-FVCCEPFGSA-N 2 1 208.349 2.001 20 0 BEADMP CC[C@H](C[C@@H](C)CC)[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246629705 988309284 /nfs/dbraw/zinc/30/92/84/988309284.db2.gz HIHLROHSUAAXBN-IGQOVBAYSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](C[C@@H](C)CC)[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246629705 988309299 /nfs/dbraw/zinc/30/92/99/988309299.db2.gz HIHLROHSUAAXBN-IGQOVBAYSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)CC[C@H](C)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246629672 988311643 /nfs/dbraw/zinc/31/16/43/988311643.db2.gz ZFUOFMZDLTUJEP-MELADBBJSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H](CC(C)C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246631784 988318510 /nfs/dbraw/zinc/31/85/10/988318510.db2.gz SIOPDWHSQXIUHE-UONOGXRCSA-N 2 1 224.392 2.497 20 0 BEADMP FC1(F)CCC([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001246635250 988326351 /nfs/dbraw/zinc/32/63/51/988326351.db2.gz JQKYMXZMGSVNOT-GHMZBOCLSA-N 2 1 230.302 2.001 20 0 BEADMP FC1(F)CCC([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001246635250 988326368 /nfs/dbraw/zinc/32/63/68/988326368.db2.gz JQKYMXZMGSVNOT-GHMZBOCLSA-N 2 1 230.302 2.001 20 0 BEADMP CC(C)CC[C@@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246636196 988327905 /nfs/dbraw/zinc/32/79/05/988327905.db2.gz FORKKPOBYIFSCZ-JHJVBQTASA-N 2 1 210.365 2.247 20 0 BEADMP CC(C)CC[C@@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246636196 988327915 /nfs/dbraw/zinc/32/79/15/988327915.db2.gz FORKKPOBYIFSCZ-JHJVBQTASA-N 2 1 210.365 2.247 20 0 BEADMP C[C@H]1C[C@@H]([NH+]2CCC3(CC(F)C3)CC2)CC[NH2+]1 ZINC001246640655 988345525 /nfs/dbraw/zinc/34/55/25/988345525.db2.gz AYQHKPIDDVKHNM-AAEUAGOBSA-N 2 1 240.366 2.341 20 0 BEADMP CC[C@@H](C)C[C@@H](CC)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246643814 988358779 /nfs/dbraw/zinc/35/87/79/988358779.db2.gz DJBDXGRZCKIJRS-XJFOESAGSA-N 2 1 224.392 2.495 20 0 BEADMP CCCCCC[C@H](C)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246646961 988361235 /nfs/dbraw/zinc/36/12/35/988361235.db2.gz RDFUTDBORRKJMO-AVGNSLFASA-N 2 1 210.365 2.378 20 0 BEADMP CCCCCC[C@H](C)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246646961 988361245 /nfs/dbraw/zinc/36/12/45/988361245.db2.gz RDFUTDBORRKJMO-AVGNSLFASA-N 2 1 210.365 2.378 20 0 BEADMP CC(C)CC[C@@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246649488 988373559 /nfs/dbraw/zinc/37/35/59/988373559.db2.gz ZWPXSKYPFDUOFG-MCIONIFRSA-N 2 1 224.392 2.352 20 0 BEADMP CC(C)CCC[C@H](C)[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246655776 988382590 /nfs/dbraw/zinc/38/25/90/988382590.db2.gz ZZLXNTIRCYWNTR-MELADBBJSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)CCC[C@H](C)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246655776 988382596 /nfs/dbraw/zinc/38/25/96/988382596.db2.gz ZZLXNTIRCYWNTR-MELADBBJSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H](CC(C)C)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246657338 988384792 /nfs/dbraw/zinc/38/47/92/988384792.db2.gz LYAPPIBBZBABMU-RDBSUJKOSA-N 2 1 224.392 2.495 20 0 BEADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246660593 988392641 /nfs/dbraw/zinc/39/26/41/988392641.db2.gz VOMDTPRPHJXJAN-QSLWVIQJSA-N 2 1 224.392 2.480 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)CC(C)(C)C1 ZINC001246659787 988394243 /nfs/dbraw/zinc/39/42/43/988394243.db2.gz HENGGZJFUBQPRD-RXGFPQBGSA-N 2 1 222.376 2.090 20 0 BEADMP C[C@@H]1CC([N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H](C)C1 ZINC001246666414 988405608 /nfs/dbraw/zinc/40/56/08/988405608.db2.gz JKXBESTWCJFNSE-IGQOVBAYSA-N 2 1 236.403 2.352 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H]1C ZINC001246667445 988409416 /nfs/dbraw/zinc/40/94/16/988409416.db2.gz KROHLJIPCZFNHG-XLWJZTARSA-N 2 1 236.403 2.352 20 0 BEADMP CC1(C)CCC[C@@H]([N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC001246668898 988411545 /nfs/dbraw/zinc/41/15/45/988411545.db2.gz PRUXAGQRCJKFBR-MGPQQGTHSA-N 2 1 236.403 2.497 20 0 BEADMP CCCCC[C@@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246668239 988411688 /nfs/dbraw/zinc/41/16/88/988411688.db2.gz MQOOBFZIGQGXCY-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP CCc1ccc(C[C@H](C)[N@@H+](C)CCC[NH3+])cc1 ZINC001246681805 988432028 /nfs/dbraw/zinc/43/20/28/988432028.db2.gz QSLLRKVCQKFKDA-ZDUSSCGKSA-N 2 1 234.387 2.461 20 0 BEADMP c1ccc(C[C@H]2CC[N@@H+]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001246789637 988466541 /nfs/dbraw/zinc/46/65/41/988466541.db2.gz DANSNFKKIRBENB-CVEARBPZSA-N 2 1 244.382 2.303 20 0 BEADMP c1ccc(C[C@H]2CC[N@H+]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001246789637 988466548 /nfs/dbraw/zinc/46/65/48/988466548.db2.gz DANSNFKKIRBENB-CVEARBPZSA-N 2 1 244.382 2.303 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2c2ccccn2)CC[NH2+]1 ZINC001246786831 988470714 /nfs/dbraw/zinc/47/07/14/988470714.db2.gz AIIFANYEGHNOCQ-UMVBOHGHSA-N 2 1 245.370 2.359 20 0 BEADMP CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001246822525 988509158 /nfs/dbraw/zinc/50/91/58/988509158.db2.gz BKPBOBWWVZKDJI-RDBSUJKOSA-N 2 1 242.407 2.107 20 0 BEADMP CC(C)C[C@@H](C)C[C@H](C)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001246822525 988509168 /nfs/dbraw/zinc/50/91/68/988509168.db2.gz BKPBOBWWVZKDJI-RDBSUJKOSA-N 2 1 242.407 2.107 20 0 BEADMP CCCCC[C@H](C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001246845908 988547625 /nfs/dbraw/zinc/54/76/25/988547625.db2.gz NERUPRRCAVXVSR-MELADBBJSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+]2CCCCC23CC3)CC[NH2+]1 ZINC001246845112 988557063 /nfs/dbraw/zinc/55/70/63/988557063.db2.gz KSDVLFYGGKZTOB-VXGBXAGGSA-N 2 1 208.349 2.145 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCCCC23CC3)CC[NH2+]1 ZINC001246845112 988557067 /nfs/dbraw/zinc/55/70/67/988557067.db2.gz KSDVLFYGGKZTOB-VXGBXAGGSA-N 2 1 208.349 2.145 20 0 BEADMP CC[C@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246851169 988570984 /nfs/dbraw/zinc/57/09/84/988570984.db2.gz YSHLPAJQSFDQCS-AGIUHOORSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)C[C@@H](C)C1 ZINC001246852230 988573075 /nfs/dbraw/zinc/57/30/75/988573075.db2.gz ICDFBZXQVJUZAV-VJTDZRGJSA-N 2 1 222.376 2.234 20 0 BEADMP COc1ccc([C@H](C)[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC001246853018 988574909 /nfs/dbraw/zinc/57/49/09/988574909.db2.gz QJYIVPBYMZLEPC-LBPRGKRZSA-N 2 1 248.370 2.440 20 0 BEADMP CC[C@H](CC(C)C)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC001246866135 988620892 /nfs/dbraw/zinc/62/08/92/988620892.db2.gz ZXTQXFAZDOEERL-QWHCGFSZSA-N 2 1 212.381 2.352 20 0 BEADMP COc1cccc2c1C[N@@H+]([C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246870853 988633719 /nfs/dbraw/zinc/63/37/19/988633719.db2.gz LBAACNUYTCRATG-AAEUAGOBSA-N 2 1 246.354 2.151 20 0 BEADMP COc1cccc2c1C[N@H+]([C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246870853 988633731 /nfs/dbraw/zinc/63/37/31/988633731.db2.gz LBAACNUYTCRATG-AAEUAGOBSA-N 2 1 246.354 2.151 20 0 BEADMP C[NH2+]CC[C@@H](C)[N@H+]1Cc2ccccc2C[C@H]1C ZINC001246874044 988634393 /nfs/dbraw/zinc/63/43/93/988634393.db2.gz UVBNDJVPWHJJTD-CHWSQXEVSA-N 2 1 232.371 2.431 20 0 BEADMP C[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C2(CC2)C1 ZINC001246897929 988671390 /nfs/dbraw/zinc/67/13/90/988671390.db2.gz WOCNTFMVVPZHRR-ACJTYDJDSA-N 2 1 220.360 2.144 20 0 BEADMP C[NH2+]CC[C@@H](C)[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001246917903 988718784 /nfs/dbraw/zinc/71/87/84/988718784.db2.gz BUBMBTSLYOJWRO-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H]1CC[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246941957 988774326 /nfs/dbraw/zinc/77/43/26/988774326.db2.gz MVMVGWALVRBVLB-XQLPTFJDSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1ccc2c(c1)CC[N@H+]([C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246964130 988791366 /nfs/dbraw/zinc/79/13/66/988791366.db2.gz BQPNCDANRVMFON-BBRMVZONSA-N 2 1 244.382 2.494 20 0 BEADMP Cc1ccc2c(c1)CC[N@H+]([C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246964135 988796416 /nfs/dbraw/zinc/79/64/16/988796416.db2.gz BQPNCDANRVMFON-XJKSGUPXSA-N 2 1 244.382 2.494 20 0 BEADMP CC[C@H]([NH3+])C[N@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC001246976086 988803242 /nfs/dbraw/zinc/80/32/42/988803242.db2.gz XKNLMMCGTCNNDL-RISCZKNCSA-N 2 1 238.350 2.426 20 0 BEADMP CC[C@H]([NH3+])C[N@@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC001246976086 988803247 /nfs/dbraw/zinc/80/32/47/988803247.db2.gz XKNLMMCGTCNNDL-RISCZKNCSA-N 2 1 238.350 2.426 20 0 BEADMP CC[C@H]([NH3+])C[N@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC001246976085 988804167 /nfs/dbraw/zinc/80/41/67/988804167.db2.gz XKNLMMCGTCNNDL-FZMZJTMJSA-N 2 1 238.350 2.426 20 0 BEADMP CC[C@H]([NH3+])C[N@@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC001246976085 988804174 /nfs/dbraw/zinc/80/41/74/988804174.db2.gz XKNLMMCGTCNNDL-FZMZJTMJSA-N 2 1 238.350 2.426 20 0 BEADMP CO[C@@H]1C[N@H+]([C@H](C)C[C@H](C)CC(C)C)C[C@@H]1N ZINC001246983890 988815235 /nfs/dbraw/zinc/81/52/35/988815235.db2.gz VTJDXDOLENTBCH-YIYPIFLZSA-N 2 1 242.407 2.105 20 0 BEADMP CCCCC[C@H](CC)[N@@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246988937 988819531 /nfs/dbraw/zinc/81/95/31/988819531.db2.gz KWCPVCGPCPMGRN-QWHCGFSZSA-N 2 1 240.391 2.005 20 0 BEADMP CCCCC[C@H](CC)[N@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246988937 988819538 /nfs/dbraw/zinc/81/95/38/988819538.db2.gz KWCPVCGPCPMGRN-QWHCGFSZSA-N 2 1 240.391 2.005 20 0 BEADMP CCSC[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247005795 988837367 /nfs/dbraw/zinc/83/73/67/988837367.db2.gz GRRHQLYKVAPVGU-RWMBFGLXSA-N 2 1 242.432 2.202 20 0 BEADMP CCSC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247005795 988837368 /nfs/dbraw/zinc/83/73/68/988837368.db2.gz GRRHQLYKVAPVGU-RWMBFGLXSA-N 2 1 242.432 2.202 20 0 BEADMP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)C[C@@H]21 ZINC001247016731 988842776 /nfs/dbraw/zinc/84/27/76/988842776.db2.gz XNSNGCQBUWHFIX-BTFPBAQTSA-N 2 1 248.414 2.495 20 0 BEADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)C[C@@H]21 ZINC001247016731 988842780 /nfs/dbraw/zinc/84/27/80/988842780.db2.gz XNSNGCQBUWHFIX-BTFPBAQTSA-N 2 1 248.414 2.495 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)C1 ZINC001247016396 988844422 /nfs/dbraw/zinc/84/44/22/988844422.db2.gz USGLBMIEVVDJPB-RFGFWPKPSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)C1 ZINC001247016396 988844424 /nfs/dbraw/zinc/84/44/24/988844424.db2.gz USGLBMIEVVDJPB-RFGFWPKPSA-N 2 1 222.376 2.249 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C/C=C/C2CC2)[C@@H]2CCC[C@H]21 ZINC001324969395 989036615 /nfs/dbraw/zinc/03/66/15/989036615.db2.gz RAXSORIWVBRDJR-PGQSHUBFSA-N 2 1 234.387 2.415 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C/C=C\C2CC2)[C@@H]2CCC[C@H]21 ZINC001324969392 989037634 /nfs/dbraw/zinc/03/76/34/989037634.db2.gz RAXSORIWVBRDJR-GKAAIYSZSA-N 2 1 234.387 2.415 20 0 BEADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC001325634071 989219441 /nfs/dbraw/zinc/21/94/41/989219441.db2.gz DFZFLYXHYGARFJ-KIDURHIOSA-N 2 1 246.345 2.493 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1nccc2ccccc21 ZINC001325626416 989220802 /nfs/dbraw/zinc/22/08/02/989220802.db2.gz QEZBNRMRQJWLKP-GFCCVEGCSA-N 2 1 243.354 2.180 20 0 BEADMP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC001325634070 989221750 /nfs/dbraw/zinc/22/17/50/989221750.db2.gz DFZFLYXHYGARFJ-HCWSGVFWSA-N 2 1 246.345 2.493 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccccc1N1CCCC1 ZINC001326076863 989362938 /nfs/dbraw/zinc/36/29/38/989362938.db2.gz RJDFREPMSWYOFY-CQSZACIVSA-N 2 1 247.386 2.114 20 0 BEADMP C[N@@H+](Cc1cc(F)cc(F)c1)C[C@H]1CC[NH2+]C1 ZINC001326276939 989461285 /nfs/dbraw/zinc/46/12/85/989461285.db2.gz FWJYCJWXUMYNDK-JTQLQIEISA-N 2 1 240.297 2.006 20 0 BEADMP C[N@H+](Cc1cc(F)cc(F)c1)C[C@H]1CC[NH2+]C1 ZINC001326276939 989461297 /nfs/dbraw/zinc/46/12/97/989461297.db2.gz FWJYCJWXUMYNDK-JTQLQIEISA-N 2 1 240.297 2.006 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC001326474168 989572123 /nfs/dbraw/zinc/57/21/23/989572123.db2.gz TXQYBZIEVIDZOF-NXEZZACHSA-N 2 1 241.766 2.384 20 0 BEADMP CCc1cc(N2CCC[N@H+]3CCC[C@H]3C2)cc[nH+]1 ZINC001326492222 989585183 /nfs/dbraw/zinc/58/51/83/989585183.db2.gz NVOXXDKOGDTOHY-HNNXBMFYSA-N 2 1 245.370 2.319 20 0 BEADMP CC[N@@H+](CCC[NH2+]C[C@@H](C)O)C1CCCCC1 ZINC001120590115 989762521 /nfs/dbraw/zinc/76/25/21/989762521.db2.gz WJEAQGSOCXZYER-CYBMUJFWSA-N 2 1 242.407 2.002 20 0 BEADMP C[N@H+]1CCCC[C@H]1CNc1cc[nH+]cc1C1CC1 ZINC001120884893 989948322 /nfs/dbraw/zinc/94/83/22/989948322.db2.gz RZIMCDOIFMUIJW-ZDUSSCGKSA-N 2 1 245.370 2.277 20 0 BEADMP CC(C)=CCC[C@@H](C)[NH2+]CCC[N@@H+](C)CCO ZINC001258086754 990996181 /nfs/dbraw/zinc/99/61/81/990996181.db2.gz DCVSBAQWBTXQLX-CQSZACIVSA-N 2 1 242.407 2.025 20 0 BEADMP Cc1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc(C)n1 ZINC001308480026 991004874 /nfs/dbraw/zinc/00/48/74/991004874.db2.gz YNTBUQCUNSWASF-CYBMUJFWSA-N 2 1 235.375 2.128 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]CCC(F)F)CC1(C)C ZINC001308550667 991032414 /nfs/dbraw/zinc/03/24/14/991032414.db2.gz SMBSBCJHIAEMSV-SECBINFHSA-N 2 1 220.307 2.104 20 0 BEADMP C[C@@H](Cc1ccco1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258194864 991106456 /nfs/dbraw/zinc/10/64/56/991106456.db2.gz LRTNSWINLFIYFC-ZFWWWQNUSA-N 2 1 248.370 2.238 20 0 BEADMP C[C@@H](Cc1ccco1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001258194864 991106460 /nfs/dbraw/zinc/10/64/60/991106460.db2.gz LRTNSWINLFIYFC-ZFWWWQNUSA-N 2 1 248.370 2.238 20 0 BEADMP C[C@@H](Cc1ccco1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001258194864 991106465 /nfs/dbraw/zinc/10/64/65/991106465.db2.gz LRTNSWINLFIYFC-ZFWWWQNUSA-N 2 1 248.370 2.238 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12)[C@@H]1C[C@H]1C1CC1 ZINC001308985545 991249930 /nfs/dbraw/zinc/24/99/30/991249930.db2.gz XPHWJMXSDNKKLN-OVCQRUGDSA-N 2 1 248.414 2.351 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21)[C@@H]1C[C@H]1C1CC1 ZINC001308985546 991250726 /nfs/dbraw/zinc/25/07/26/991250726.db2.gz XPHWJMXSDNKKLN-YHDIRRJESA-N 2 1 248.414 2.351 20 0 BEADMP CCCCC[C@@H](CC)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001258428306 991356478 /nfs/dbraw/zinc/35/64/78/991356478.db2.gz MXIXMMIUZJNBGV-OLZOCXBDSA-N 2 1 228.380 2.005 20 0 BEADMP CCCCC[C@@H](CC)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001258428306 991356486 /nfs/dbraw/zinc/35/64/86/991356486.db2.gz MXIXMMIUZJNBGV-OLZOCXBDSA-N 2 1 228.380 2.005 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)[C@@H](C)CC1CC1 ZINC001258470112 991437770 /nfs/dbraw/zinc/43/77/70/991437770.db2.gz LKFRLBITMXTKDB-LBPRGKRZSA-N 2 1 212.381 2.449 20 0 BEADMP C1[C@H]2CCC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)[C@@H]12 ZINC001560500812 991486148 /nfs/dbraw/zinc/48/61/48/991486148.db2.gz DNFJOCUWIWKGKC-MRLBHPIUSA-N 2 1 234.387 2.391 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(F)cc3)[C@H]2C1 ZINC001560623366 991524202 /nfs/dbraw/zinc/52/42/02/991524202.db2.gz VGELHERJRJSIJZ-AEGPPILISA-N 2 1 248.345 2.256 20 0 BEADMP C[C@H](Cc1cccnc1)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001258613198 991536796 /nfs/dbraw/zinc/53/67/96/991536796.db2.gz LFBKMGKZFBDRFR-HIFRSBDPSA-N 2 1 247.386 2.087 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@@H](C)Cc1cccnc1 ZINC001258613671 991540918 /nfs/dbraw/zinc/54/09/18/991540918.db2.gz VWDUMXITXPBLRA-ZDUSSCGKSA-N 2 1 235.375 2.073 20 0 BEADMP CCCCC[C@H](CCC)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001258661481 991599230 /nfs/dbraw/zinc/59/92/30/991599230.db2.gz GFSMVEDUALUGSB-UONOGXRCSA-N 2 1 242.407 2.395 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)C[C@]1(C)CCCCO1 ZINC001560811589 991610622 /nfs/dbraw/zinc/61/06/22/991610622.db2.gz QFLRBUZCAJCLIO-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]C1(C[NH3+])CC1 ZINC001258743940 991694211 /nfs/dbraw/zinc/69/42/11/991694211.db2.gz MSHRYAYNARIAID-SNVBAGLBSA-N 2 1 238.762 2.352 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21)C1CCC1 ZINC001561053643 991709870 /nfs/dbraw/zinc/70/98/70/991709870.db2.gz XZYWYUREPOJRHZ-LJISPDSOSA-N 2 1 236.403 2.495 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCO[C@H](C)C1 ZINC001258907563 991890391 /nfs/dbraw/zinc/89/03/91/991890391.db2.gz KMVMPSHGQDNYJK-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001258909634 991897952 /nfs/dbraw/zinc/89/79/52/991897952.db2.gz HEHDZTGUXXBUNX-MCIONIFRSA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)CC(C)=O ZINC001258908606 991898370 /nfs/dbraw/zinc/89/83/70/991898370.db2.gz YRVXIXMXKWSFBR-GFCCVEGCSA-N 2 1 228.380 2.018 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccn2C2CC2)CC1 ZINC001261255462 992225344 /nfs/dbraw/zinc/22/53/44/992225344.db2.gz YZAYKLWVSPJBIY-UHFFFAOYSA-N 2 1 245.370 2.175 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(C)ccc1F ZINC001261370734 992279480 /nfs/dbraw/zinc/27/94/80/992279480.db2.gz SGQHLFDLCZQTEM-NSHDSACASA-N 2 1 224.323 2.222 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cccc(O)c1 ZINC001261423741 992294575 /nfs/dbraw/zinc/29/45/75/992294575.db2.gz CTBHTXYKQRGEMU-MNOVXSKESA-N 2 1 222.332 2.041 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccc(C)o1 ZINC001261424486 992296418 /nfs/dbraw/zinc/29/64/18/992296418.db2.gz VTCOXRYYSCUWPY-MWLCHTKSSA-N 2 1 210.321 2.237 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCCC(F)F)[C@H](C)C1 ZINC001262160374 992722054 /nfs/dbraw/zinc/72/20/54/992722054.db2.gz CMQJDTGLAYGOSD-MNOVXSKESA-N 2 1 234.334 2.352 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]CCc2ccc(F)cc2)CC1 ZINC001262364561 992861321 /nfs/dbraw/zinc/86/13/21/992861321.db2.gz ASQIRLQGPWPQDD-UHFFFAOYSA-N 2 1 248.345 2.220 20 0 BEADMP C([N@@H+](C1CC1)C1CCCCC1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC001574794554 992907591 /nfs/dbraw/zinc/90/75/91/992907591.db2.gz DVFRDXKQKDIXOK-DOMZBBRYSA-N 2 1 234.387 2.393 20 0 BEADMP CC(C)(C)OCCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC001575249801 993000647 /nfs/dbraw/zinc/00/06/47/993000647.db2.gz MNXAGVCYPAHVMR-OCCSQVGLSA-N 2 1 240.391 2.005 20 0 BEADMP CC(C)(C)OCCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC001575249801 993000652 /nfs/dbraw/zinc/00/06/52/993000652.db2.gz MNXAGVCYPAHVMR-OCCSQVGLSA-N 2 1 240.391 2.005 20 0 BEADMP CC(C)(C[NH3+])C[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC001575315753 993009372 /nfs/dbraw/zinc/00/93/72/993009372.db2.gz XMLGEZIALILQJQ-ZDUSSCGKSA-N 2 1 247.386 2.449 20 0 BEADMP CC(C)(C[NH3+])C[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC001575315753 993009373 /nfs/dbraw/zinc/00/93/73/993009373.db2.gz XMLGEZIALILQJQ-ZDUSSCGKSA-N 2 1 247.386 2.449 20 0 BEADMP CC(C)(C[NH3+])[NH2+]Cc1cccc2c1CCC2 ZINC001575318516 993012377 /nfs/dbraw/zinc/01/23/77/993012377.db2.gz VFJCGGBPVGAAEI-UHFFFAOYSA-N 2 1 218.344 2.002 20 0 BEADMP Cc1cc(F)cc(N[C@H](C)CC[NH+](C)C)[nH+]1 ZINC001262680440 993022229 /nfs/dbraw/zinc/02/22/29/993022229.db2.gz CSHBKPIKWAZNGL-SECBINFHSA-N 2 1 225.311 2.281 20 0 BEADMP C[C@H](CCc1ccccc1F)[NH2+]C[C@H]1CC[NH2+]1 ZINC001575965753 993142589 /nfs/dbraw/zinc/14/25/89/993142589.db2.gz FHUSVRMKBZFBKR-DGCLKSJQSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001576051373 993167220 /nfs/dbraw/zinc/16/72/20/993167220.db2.gz ABFGGMGZYQNSQA-OADPDTJPSA-N 2 1 248.345 2.239 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc2c(c1)CCCC2 ZINC001576053234 993167896 /nfs/dbraw/zinc/16/78/96/993167896.db2.gz UWTWCYSNEZFWSF-STQMWFEESA-N 2 1 246.398 2.433 20 0 BEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cnc2c(F)cccc2c1 ZINC001576103137 993181266 /nfs/dbraw/zinc/18/12/66/993181266.db2.gz KZKJGIBPAXOGNK-NXEZZACHSA-N 2 1 247.317 2.199 20 0 BEADMP C[C@@H]([NH2+]Cc1ccc2c(c1)CCCC2)[C@H](C)[NH3+] ZINC001576102171 993181767 /nfs/dbraw/zinc/18/17/67/993181767.db2.gz CBCVUDYRJWBFGG-NWDGAFQWSA-N 2 1 232.371 2.391 20 0 BEADMP CC(C)CC[C@@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC000378759779 993202422 /nfs/dbraw/zinc/20/24/22/993202422.db2.gz APQZYVLCLCYTRY-FRRDWIJNSA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)CC[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC000378759779 993202430 /nfs/dbraw/zinc/20/24/30/993202430.db2.gz APQZYVLCLCYTRY-FRRDWIJNSA-N 2 1 210.365 2.105 20 0 BEADMP CCC1CCC([N@H+]2CC[C@@H]([NH3+])[C@H]2C)CC1 ZINC000380081816 993310062 /nfs/dbraw/zinc/31/00/62/993310062.db2.gz KTYMLNLZGLPSDN-IKWCTNDRSA-N 2 1 210.365 2.377 20 0 BEADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)CCO1 ZINC000380075543 993312614 /nfs/dbraw/zinc/31/26/14/993312614.db2.gz RBXVCOGWQJIWAM-MELADBBJSA-N 2 1 240.391 2.005 20 0 BEADMP CC(C)CCC[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000380284519 993325535 /nfs/dbraw/zinc/32/55/35/993325535.db2.gz ZRFINZGOTPSJNS-GFCCVEGCSA-N 2 1 200.370 2.482 20 0 BEADMP CC1=CCC[C@@H](C)[C@@H]1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001576555488 993341406 /nfs/dbraw/zinc/34/14/06/993341406.db2.gz HYVSTPZZCIFQRM-APIJFGDWSA-N 2 1 234.387 2.130 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC12CCC(CC1)C2 ZINC001576608557 993365287 /nfs/dbraw/zinc/36/52/87/993365287.db2.gz UNJIQEHAFMBHIZ-NELGMTEASA-N 2 1 222.376 2.378 20 0 BEADMP C[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000381279197 993382975 /nfs/dbraw/zinc/38/29/75/993382975.db2.gz XRPATXIGFXMWOP-BBBLOLIVSA-N 2 1 238.297 2.257 20 0 BEADMP C[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000381279197 993382980 /nfs/dbraw/zinc/38/29/80/993382980.db2.gz XRPATXIGFXMWOP-BBBLOLIVSA-N 2 1 238.297 2.257 20 0 BEADMP C[C@H]1CCC(F)(F)C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001576657664 993383724 /nfs/dbraw/zinc/38/37/24/993383724.db2.gz PWZPMEMPIWTODR-NWDGAFQWSA-N 2 1 246.345 2.496 20 0 BEADMP C[C@H]1CCC(F)(F)C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001576657664 993383730 /nfs/dbraw/zinc/38/37/30/993383730.db2.gz PWZPMEMPIWTODR-NWDGAFQWSA-N 2 1 246.345 2.496 20 0 BEADMP C[C@@H]1C[N@@H+](CC2(C[NH3+])CCC2)CCC1(F)F ZINC001576800768 993428841 /nfs/dbraw/zinc/42/88/41/993428841.db2.gz LPOJBFILYNGHHQ-SNVBAGLBSA-N 2 1 232.318 2.093 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCC[C@@H]2C=CCC2)C1 ZINC001576849831 993433553 /nfs/dbraw/zinc/43/35/53/993433553.db2.gz LEBGHUARJKHCGK-BFHYXJOUSA-N 2 1 222.376 2.320 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCC[C@H]2C=CCC2)C1 ZINC001576849833 993434871 /nfs/dbraw/zinc/43/48/71/993434871.db2.gz LEBGHUARJKHCGK-MELADBBJSA-N 2 1 222.376 2.320 20 0 BEADMP Cc1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)[nH+]c1 ZINC000382434505 993459151 /nfs/dbraw/zinc/45/91/51/993459151.db2.gz UHBBORSQYMYUOP-MNOVXSKESA-N 2 1 205.305 2.072 20 0 BEADMP CC[C@@](C)([NH2+]C[C@H]([NH3+])CC(F)(F)F)C1CC1 ZINC001576961096 993470364 /nfs/dbraw/zinc/47/03/64/993470364.db2.gz RVKRKZPAJCDKDV-NXEZZACHSA-N 2 1 238.297 2.434 20 0 BEADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@]12C[C@H]1C[NH2+]C2 ZINC001577374832 993626781 /nfs/dbraw/zinc/62/67/81/993626781.db2.gz HGFMBEBNSJSNFQ-LXTVHRRPSA-N 2 1 236.403 2.497 20 0 BEADMP CCCCCC[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001577432913 993664197 /nfs/dbraw/zinc/66/41/97/993664197.db2.gz UEBZTLCQCCCCGZ-SECBINFHSA-N 2 1 226.286 2.436 20 0 BEADMP CCCSC[C@H](C)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001577597106 993690054 /nfs/dbraw/zinc/69/00/54/993690054.db2.gz QGDPRUBXYIQFCW-SDDRHHMPSA-N 2 1 230.421 2.248 20 0 BEADMP C[NH+](C)[C@@H](C[NH2+]C1CC(C)(C)C1)C1CC1 ZINC000389908436 993767801 /nfs/dbraw/zinc/76/78/01/993767801.db2.gz IAHDRINDUNYUHG-LBPRGKRZSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCCCc1ccccc1 ZINC000393875858 994016133 /nfs/dbraw/zinc/01/61/33/994016133.db2.gz FNUIXERNJLFKRW-UKRRQHHQSA-N 2 1 232.371 2.431 20 0 BEADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]21 ZINC001307979065 995516199 /nfs/dbraw/zinc/51/61/99/995516199.db2.gz VLBRFTURJOLABA-FICVDOATSA-N 2 1 236.403 2.449 20 0 BEADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21 ZINC001307979065 995516211 /nfs/dbraw/zinc/51/62/11/995516211.db2.gz VLBRFTURJOLABA-FICVDOATSA-N 2 1 236.403 2.449 20 0 BEADMP CCCCC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001308121057 995555313 /nfs/dbraw/zinc/55/53/13/995555313.db2.gz MEZKVEZSAWMGSH-OLZOCXBDSA-N 2 1 210.365 2.060 20 0 BEADMP CCCCC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001308121057 995555295 /nfs/dbraw/zinc/55/52/95/995555295.db2.gz MEZKVEZSAWMGSH-OLZOCXBDSA-N 2 1 210.365 2.060 20 0 BEADMP CCCCC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001308121057 995555304 /nfs/dbraw/zinc/55/53/04/995555304.db2.gz MEZKVEZSAWMGSH-OLZOCXBDSA-N 2 1 210.365 2.060 20 0 BEADMP C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(N)c[nH+]1 ZINC000020382977 1170153103 /nfs/dbraw/zinc/15/31/03/1170153103.db2.gz NUIKGVJDRPFOJR-GFCCVEGCSA-N 2 1 248.374 2.340 20 0 BEADMP C[C@@H]1CCCC[N@H+]1CCCNc1ccc(N)c[nH+]1 ZINC000020382977 1170153108 /nfs/dbraw/zinc/15/31/08/1170153108.db2.gz NUIKGVJDRPFOJR-GFCCVEGCSA-N 2 1 248.374 2.340 20 0 BEADMP CC[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000036169884 1170198889 /nfs/dbraw/zinc/19/88/89/1170198889.db2.gz NQKRTTCXCHUPHP-GFCCVEGCSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)C1 ZINC001621108267 1170717650 /nfs/dbraw/zinc/71/76/50/1170717650.db2.gz KWWHDXMPDBDEPF-CAEXGNQWSA-N 2 1 236.403 2.495 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001621452400 1170811003 /nfs/dbraw/zinc/81/10/03/1170811003.db2.gz UXTNUILVQQSWJK-ZIAGYGMSSA-N 2 1 222.376 2.060 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@H]3CCC(C)(C)C3)[C@H]2C1 ZINC001621569799 1170854734 /nfs/dbraw/zinc/85/47/34/1170854734.db2.gz FBDVZMFMTKOXJO-XUXIUFHCSA-N 2 1 236.403 2.495 20 0 BEADMP C[N@@H+](C1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746560 1171152400 /nfs/dbraw/zinc/15/24/00/1171152400.db2.gz AGJALCVJPBMROK-QYJAPNMZSA-N 2 1 208.349 2.144 20 0 BEADMP c1coc(C[N@H+](CC2CC[NH2+]CC2)C2CC2)c1 ZINC000042693292 1171248922 /nfs/dbraw/zinc/24/89/22/1171248922.db2.gz NMRPGYSNKIQYMA-UHFFFAOYSA-N 2 1 234.343 2.244 20 0 BEADMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043326918 1171280870 /nfs/dbraw/zinc/28/08/70/1171280870.db2.gz DCIHIAUBTFHRTO-TZMCWYRMSA-N 2 1 248.370 2.055 20 0 BEADMP C1=C(CC[NH2+][C@@H]2CCC[NH2+]C2)CCCC1 ZINC000043324436 1171281744 /nfs/dbraw/zinc/28/17/44/1171281744.db2.gz DBGAZDJDQQFRPV-CYBMUJFWSA-N 2 1 208.349 2.219 20 0 BEADMP C[C@@H]1CCCC[N@H+]1CCCNc1cc(N)cc[nH+]1 ZINC000043568348 1171302660 /nfs/dbraw/zinc/30/26/60/1171302660.db2.gz UKHPBYVEVIOMNA-GFCCVEGCSA-N 2 1 248.374 2.340 20 0 BEADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(N)c1 ZINC000049333163 1171690420 /nfs/dbraw/zinc/69/04/20/1171690420.db2.gz ZNBUWNOWDXSWQS-UHFFFAOYSA-N 2 1 247.386 2.187 20 0 BEADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(N)c1 ZINC000049333163 1171690424 /nfs/dbraw/zinc/69/04/24/1171690424.db2.gz ZNBUWNOWDXSWQS-UHFFFAOYSA-N 2 1 247.386 2.187 20 0 BEADMP CC(C)CCC[C@H](C)[N@H+]1CCC[NH2+]CC1 ZINC000049660683 1171717738 /nfs/dbraw/zinc/71/77/38/1171717738.db2.gz HKFAXXQAZJSRGA-ZDUSSCGKSA-N 2 1 212.381 2.497 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000050249098 1171784874 /nfs/dbraw/zinc/78/48/74/1171784874.db2.gz UJAUZMFNMPEZBQ-ZDUSSCGKSA-N 2 1 241.338 2.015 20 0 BEADMP Cc1cc(C)cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])c1 ZINC000415012717 398153691 /nfs/dbraw/zinc/15/36/91/398153691.db2.gz UCNQQAFBRVAECK-VXGBXAGGSA-N 2 1 206.333 2.129 20 0 BEADMP C[N@H+](Cc1cccs1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746569 398168241 /nfs/dbraw/zinc/16/82/41/398168241.db2.gz QPCKGAIGPOOVKS-FOSCPWQOSA-N 2 1 236.384 2.463 20 0 BEADMP C[N@@H+](Cc1cccs1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746569 398168250 /nfs/dbraw/zinc/16/82/50/398168250.db2.gz QPCKGAIGPOOVKS-FOSCPWQOSA-N 2 1 236.384 2.463 20 0 BEADMP C[C@H](C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)C(C)(C)C ZINC000379814367 398170592 /nfs/dbraw/zinc/17/05/92/398170592.db2.gz PTZUNLMPGVRZRO-IJLUTSLNSA-N 2 1 212.381 2.338 20 0 BEADMP C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC000042437116 398172549 /nfs/dbraw/zinc/17/25/49/398172549.db2.gz XTGPKUKCAMMVMU-UHFFFAOYSA-N 2 1 236.334 2.257 20 0 BEADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000336233904 178033557 /nfs/dbraw/zinc/03/35/57/178033557.db2.gz YZRJQVRQDDPFOM-HUUCEWRRSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000336233904 178033559 /nfs/dbraw/zinc/03/35/59/178033559.db2.gz YZRJQVRQDDPFOM-HUUCEWRRSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000050580334 178084787 /nfs/dbraw/zinc/08/47/87/178084787.db2.gz BBLWGLDWVPPZPC-LBPRGKRZSA-N 2 1 236.334 2.305 20 0 BEADMP Cc1cc(N2CCC[N@H+]3CCC[C@@H]3C2)cc[nH+]1 ZINC000372227315 178114258 /nfs/dbraw/zinc/11/42/58/178114258.db2.gz LDXCLKONZWMLDQ-CQSZACIVSA-N 2 1 231.343 2.065 20 0 BEADMP Cc1cc(N2CC[C@@H](c3[nH+]ccn3C)C2)cc[nH+]1 ZINC000336454980 178117377 /nfs/dbraw/zinc/11/73/77/178117377.db2.gz QWXWMLOWYCDTPQ-GFCCVEGCSA-N 2 1 242.326 2.117 20 0 BEADMP C[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1c[nH+]ccc1N ZINC000647800539 398206203 /nfs/dbraw/zinc/20/62/03/398206203.db2.gz FCSXYSFUIUSXOO-DTWKUNHWSA-N 2 1 243.301 2.436 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647801159 398207858 /nfs/dbraw/zinc/20/78/58/398207858.db2.gz PZJIBIHRUHKRNL-MIGQKNRLSA-N 2 1 244.382 2.378 20 0 BEADMP Cc1cc(NCC[N@@H+]2CC=CCC2)cc[nH+]1 ZINC000280301077 178161337 /nfs/dbraw/zinc/16/13/37/178161337.db2.gz RKQKZXZHKSWKDU-UHFFFAOYSA-N 2 1 217.316 2.064 20 0 BEADMP Cc1cc(NC[C@H]([NH3+])c2ccccc2)nc(C)[nH+]1 ZINC000062838545 178169149 /nfs/dbraw/zinc/16/91/49/178169149.db2.gz XQJIGXNVKBBJDZ-ZDUSSCGKSA-N 2 1 242.326 2.205 20 0 BEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000070169343 398221592 /nfs/dbraw/zinc/22/15/92/398221592.db2.gz NACZYFVJAJJUKD-LBPRGKRZSA-N 2 1 236.334 2.387 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000336713147 168351823 /nfs/dbraw/zinc/35/18/23/168351823.db2.gz VJPYILLMAYXVGC-STQMWFEESA-N 2 1 210.365 2.106 20 0 BEADMP CCOC[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227540008 259302633 /nfs/dbraw/zinc/30/26/33/259302633.db2.gz SEDYFUOBIWWWDQ-GDLCADMTSA-N 2 1 234.343 2.146 20 0 BEADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH2+]CC2)c(C)o1 ZINC000044730017 178223249 /nfs/dbraw/zinc/22/32/49/178223249.db2.gz QWRMCBXUDRLEEF-SNVBAGLBSA-N 2 1 222.332 2.299 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C)[C@@H]2C)CC[NH2+]1 ZINC000229546093 538939580 /nfs/dbraw/zinc/93/95/80/538939580.db2.gz BFFRSWMZRDXURF-FVCCEPFGSA-N 2 1 210.365 2.247 20 0 BEADMP Cc1cc([C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)no1 ZINC000337547551 178258197 /nfs/dbraw/zinc/25/81/97/178258197.db2.gz MKOCWPMJYVIFHL-AVGNSLFASA-N 2 1 249.358 2.260 20 0 BEADMP CCOc1ccccc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252779484 136226816 /nfs/dbraw/zinc/22/68/16/136226816.db2.gz LSZQQGXAFGYWEW-STQMWFEESA-N 2 1 248.370 2.254 20 0 BEADMP CCC(CC)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037408347 168361609 /nfs/dbraw/zinc/36/16/09/168361609.db2.gz LAIBNRWEXWPJPP-CYBMUJFWSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ncc[nH]1 ZINC000285927243 538942671 /nfs/dbraw/zinc/94/26/71/538942671.db2.gz FCBQTUFTIGLGFY-LLVKDONJSA-N 2 1 247.346 2.046 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000576582280 365630397 /nfs/dbraw/zinc/63/03/97/365630397.db2.gz IOKHAGJBIWOBEY-WDNDVIMCSA-N 2 1 242.407 2.262 20 0 BEADMP C[NH2+]CCC[N@@H+]1CCCc2sccc2C1 ZINC000381479319 398258978 /nfs/dbraw/zinc/25/89/78/398258978.db2.gz CCCVWEJVJUHZJS-UHFFFAOYSA-N 2 1 224.373 2.106 20 0 BEADMP C[NH2+]CCC[N@H+]1CCCc2sccc2C1 ZINC000381479319 398258981 /nfs/dbraw/zinc/25/89/81/398258981.db2.gz CCCVWEJVJUHZJS-UHFFFAOYSA-N 2 1 224.373 2.106 20 0 BEADMP CC(C)(C)CC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000381594234 398265478 /nfs/dbraw/zinc/26/54/78/398265478.db2.gz KWDZMNXDFXDITP-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)(C)CC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000381594234 398265480 /nfs/dbraw/zinc/26/54/80/398265480.db2.gz KWDZMNXDFXDITP-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1cccc(CC[N@H+](C)C[C@@H]2CC[NH+](C)C2)c1 ZINC000449262920 398266417 /nfs/dbraw/zinc/26/64/17/398266417.db2.gz FYSJXIUHQKGWCQ-INIZCTEOSA-N 2 1 246.398 2.421 20 0 BEADMP Cc1cccc(CC[NH+](C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000449262920 398266423 /nfs/dbraw/zinc/26/64/23/398266423.db2.gz FYSJXIUHQKGWCQ-INIZCTEOSA-N 2 1 246.398 2.421 20 0 BEADMP Cc1cccc(CC[NH+](C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000449262920 398266426 /nfs/dbraw/zinc/26/64/26/398266426.db2.gz FYSJXIUHQKGWCQ-INIZCTEOSA-N 2 1 246.398 2.421 20 0 BEADMP CCc1cc(N[C@H]2CCC[C@@H]2[NH+](C)C)nc(C)[nH+]1 ZINC000362680009 538953451 /nfs/dbraw/zinc/95/34/51/538953451.db2.gz GRXJHBCGGISCQP-STQMWFEESA-N 2 1 248.374 2.242 20 0 BEADMP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000090176101 398270392 /nfs/dbraw/zinc/27/03/92/398270392.db2.gz VNTJYJUWWWZKQF-ODXJTPSBSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)CCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000165543845 361842046 /nfs/dbraw/zinc/84/20/46/361842046.db2.gz PFJSTGBXRXESFE-ZDUSSCGKSA-N 2 1 212.381 2.483 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1C ZINC000165715218 361844662 /nfs/dbraw/zinc/84/46/62/361844662.db2.gz CERARHALVOMXKN-STQMWFEESA-N 2 1 212.381 2.495 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(C)n1 ZINC000335614036 136237387 /nfs/dbraw/zinc/23/73/87/136237387.db2.gz NHXKWCRLSNABJM-IAQYHMDHSA-N 2 1 247.386 2.115 20 0 BEADMP CCC(CC)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037485332 168388732 /nfs/dbraw/zinc/38/87/32/168388732.db2.gz GDVVEHKMZJHDQH-LLVKDONJSA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@H]1C[C@@H]1C ZINC000321136987 342751187 /nfs/dbraw/zinc/75/11/87/342751187.db2.gz URTIDVHFBVBIRZ-XUXIUFHCSA-N 2 1 224.392 2.352 20 0 BEADMP C(C[NH+]1CCCC1)C[N@H+]1CCC2(CCC2)C1 ZINC000162257442 349624024 /nfs/dbraw/zinc/62/40/24/349624024.db2.gz HJNFYGSLBUKLGJ-UHFFFAOYSA-N 2 1 222.376 2.348 20 0 BEADMP FC1(F)CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000383928840 539012263 /nfs/dbraw/zinc/01/22/63/539012263.db2.gz BHCOFLJHKWKGTD-SRVKXCTJSA-N 2 1 244.329 2.391 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC2(C)C)C1 ZINC000389388652 539016354 /nfs/dbraw/zinc/01/63/54/539016354.db2.gz UOQFGUXMWOHZBJ-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CC[C@@H]([N@@H+](C)C2CCCCC2)CN1 ZINC000062948530 539017713 /nfs/dbraw/zinc/01/77/13/539017713.db2.gz CPSPBZDFXOPRSP-DGCLKSJQSA-N 2 1 210.365 2.391 20 0 BEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC2CCC2)C1 ZINC000350764162 398301656 /nfs/dbraw/zinc/30/16/56/398301656.db2.gz ONQLSOABYMRCKW-OAHLLOKOSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC2CCC2)C1 ZINC000350764162 398301661 /nfs/dbraw/zinc/30/16/61/398301661.db2.gz ONQLSOABYMRCKW-OAHLLOKOSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC000350764162 398301666 /nfs/dbraw/zinc/30/16/66/398301666.db2.gz ONQLSOABYMRCKW-OAHLLOKOSA-N 2 1 236.403 2.450 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[NH2+]CCc1c[nH+]cn1C ZINC000401646941 342866986 /nfs/dbraw/zinc/86/69/86/342866986.db2.gz MGKUIXGXOJKUJY-CHWSQXEVSA-N 2 1 235.375 2.379 20 0 BEADMP CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000036169892 342894556 /nfs/dbraw/zinc/89/45/56/342894556.db2.gz DQMJOFRFMSIZNX-CHWSQXEVSA-N 2 1 210.365 2.108 20 0 BEADMP c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217663817 398322943 /nfs/dbraw/zinc/32/29/43/398322943.db2.gz MCCRATQBGIGFLN-CABCVRRESA-N 2 1 230.355 2.403 20 0 BEADMP c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217663817 398322945 /nfs/dbraw/zinc/32/29/45/398322945.db2.gz MCCRATQBGIGFLN-CABCVRRESA-N 2 1 230.355 2.403 20 0 BEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000304623313 398339149 /nfs/dbraw/zinc/33/91/49/398339149.db2.gz UITGBJDHMJCIAQ-GHMZBOCLSA-N 2 1 234.334 2.385 20 0 BEADMP CCC[C@H](C)[NH2+]CC[N@H+](CC)C(C)C ZINC000053376305 346887888 /nfs/dbraw/zinc/88/78/88/346887888.db2.gz CEYXEOOJMCJFCO-LBPRGKRZSA-N 2 1 200.370 2.495 20 0 BEADMP CCC[C@H](C)[NH2+]CC[N@@H+](CC)C(C)C ZINC000053376305 346887891 /nfs/dbraw/zinc/88/78/91/346887891.db2.gz CEYXEOOJMCJFCO-LBPRGKRZSA-N 2 1 200.370 2.495 20 0 BEADMP CC(C)C[C@H]([NH2+]CCN)c1ccccc1 ZINC000037712448 342943893 /nfs/dbraw/zinc/94/38/93/342943893.db2.gz IQICNPNKJSUMDG-ZDUSSCGKSA-N 2 1 206.333 2.322 20 0 BEADMP CC(C)C[C@H]([NH2+]CC[NH3+])c1ccccc1 ZINC000037712448 342943894 /nfs/dbraw/zinc/94/38/94/342943894.db2.gz IQICNPNKJSUMDG-ZDUSSCGKSA-N 2 1 206.333 2.322 20 0 BEADMP CC[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000479953106 529474438 /nfs/dbraw/zinc/47/44/38/529474438.db2.gz GQUGJXMIQJGODG-CWRNSKLLSA-N 2 1 244.382 2.331 20 0 BEADMP CC(C)[NH+](CC[NH2+][C@H](C)C1CC1)C(C)C ZINC000019901055 342961875 /nfs/dbraw/zinc/96/18/75/342961875.db2.gz KWZJYHCHQDRJLC-GFCCVEGCSA-N 2 1 212.381 2.493 20 0 BEADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(O)cc1 ZINC000019942775 342963969 /nfs/dbraw/zinc/96/39/69/342963969.db2.gz JGUHNDLXCWCMNH-UHFFFAOYSA-N 2 1 236.359 2.214 20 0 BEADMP C[C@@H]1C[N@@H+](C/C=C\c2ccccc2)CC[C@@H]1[NH3+] ZINC000211315019 342985720 /nfs/dbraw/zinc/98/57/20/342985720.db2.gz YMPMBDKWTYYQOB-DBVFPWQWSA-N 2 1 230.355 2.369 20 0 BEADMP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)CC[NH2+]1 ZINC000235382363 343011779 /nfs/dbraw/zinc/01/17/79/343011779.db2.gz WFBPDXIQSQSZEK-NDBYEHHHSA-N 2 1 242.432 2.200 20 0 BEADMP CC[N@@H+](Cc1ccc(-n2ccnc2)nc1)C(C)C ZINC000177088004 346921841 /nfs/dbraw/zinc/92/18/41/346921841.db2.gz JBYQWWRIOAAZKJ-UHFFFAOYSA-N 2 1 244.342 2.498 20 0 BEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000129592234 343177764 /nfs/dbraw/zinc/17/77/64/343177764.db2.gz ZZRIWWYEJQGLGE-LRDDRELGSA-N 2 1 244.382 2.084 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000129592234 343177765 /nfs/dbraw/zinc/17/77/65/343177765.db2.gz ZZRIWWYEJQGLGE-LRDDRELGSA-N 2 1 244.382 2.084 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000157113138 343199746 /nfs/dbraw/zinc/19/97/46/343199746.db2.gz DQBHNPPKCXVQBL-SMDDNHRTSA-N 2 1 236.334 2.446 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000157113138 343199747 /nfs/dbraw/zinc/19/97/47/343199747.db2.gz DQBHNPPKCXVQBL-SMDDNHRTSA-N 2 1 236.334 2.446 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000082489431 136276549 /nfs/dbraw/zinc/27/65/49/136276549.db2.gz MGMANOWYINNTSM-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP Cc1ccoc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000135166612 343192725 /nfs/dbraw/zinc/19/27/25/343192725.db2.gz PSOWUUOFFLXPII-ZDUSSCGKSA-N 2 1 236.359 2.408 20 0 BEADMP Cc1ccoc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000135166612 343192727 /nfs/dbraw/zinc/19/27/27/343192727.db2.gz PSOWUUOFFLXPII-ZDUSSCGKSA-N 2 1 236.359 2.408 20 0 BEADMP CCc1ccccc1C[N@@H+](C)CCC[NH2+]C ZINC000087472121 136281495 /nfs/dbraw/zinc/28/14/95/136281495.db2.gz HRMOSNMDSXTNRU-UHFFFAOYSA-N 2 1 220.360 2.290 20 0 BEADMP Cc1cc(C[NH2+]CCc2c[nH+]cn2C)cs1 ZINC000401760616 343228987 /nfs/dbraw/zinc/22/89/87/343228987.db2.gz UUURGKLFMUFSSQ-UHFFFAOYSA-N 2 1 235.356 2.122 20 0 BEADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cccs1 ZINC000083758682 136278260 /nfs/dbraw/zinc/27/82/60/136278260.db2.gz QHYDEAJRPGFAKN-JTQLQIEISA-N 2 1 212.362 2.355 20 0 BEADMP C[C@@H]1CC[C@@H](C[NH2+][C@H](C[NH3+])C2CCCCC2)O1 ZINC000634688337 343247068 /nfs/dbraw/zinc/24/70/68/343247068.db2.gz PLEUPHKZEWHZOL-KWCYVHTRSA-N 2 1 240.391 2.051 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000348757859 136297269 /nfs/dbraw/zinc/29/72/69/136297269.db2.gz YTHULJPEYOBXPF-ZDUSSCGKSA-N 2 1 236.334 2.039 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000335612956 136295438 /nfs/dbraw/zinc/29/54/38/136295438.db2.gz LUXQVRQDYSSYJQ-XKGSQUFQSA-N 2 1 246.345 2.398 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000335612954 136295580 /nfs/dbraw/zinc/29/55/80/136295580.db2.gz LUXQVRQDYSSYJQ-WNYYMSAVSA-N 2 1 246.345 2.398 20 0 BEADMP CCC1([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000335626662 136299575 /nfs/dbraw/zinc/29/95/75/136299575.db2.gz VYUCOWCTGSNKEO-VXGBXAGGSA-N 2 1 208.349 2.145 20 0 BEADMP C[C@H](C[NH2+]Cc1ccccn1)C[NH+]1CCCCC1 ZINC000037997548 343365119 /nfs/dbraw/zinc/36/51/19/343365119.db2.gz BNYQVALIFDXXQJ-CQSZACIVSA-N 2 1 247.386 2.293 20 0 BEADMP Cc1ncc(C[NH2+]CCC[NH+]2CCCC2)s1 ZINC000037505465 343347774 /nfs/dbraw/zinc/34/77/74/343347774.db2.gz HOKRAGNXOSQLBK-UHFFFAOYSA-N 2 1 239.388 2.027 20 0 BEADMP CC(C)(C)[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000166228459 136314637 /nfs/dbraw/zinc/31/46/37/136314637.db2.gz WCENZTRHPDZKQW-CHWSQXEVSA-N 2 1 224.392 2.354 20 0 BEADMP CSCCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602877062 349806995 /nfs/dbraw/zinc/80/69/95/349806995.db2.gz LHSPUIMXBHMYNK-UHFFFAOYSA-N 2 1 242.432 2.157 20 0 BEADMP Cc1cc(N2CCC3(CCC[N@@H+]3C)CC2)cc[nH+]1 ZINC000335691333 136325375 /nfs/dbraw/zinc/32/53/75/136325375.db2.gz ZSLBWEZAWCWHGM-UHFFFAOYSA-N 2 1 245.370 2.455 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000349157522 136327850 /nfs/dbraw/zinc/32/78/50/136327850.db2.gz YTPCJFVNDMXXMU-VHDGCEQUSA-N 2 1 236.403 2.306 20 0 BEADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@H]1C[C@H]1C ZINC000349406394 136344637 /nfs/dbraw/zinc/34/46/37/136344637.db2.gz LGHVPEGIVNULGG-ZIAGYGMSSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@H]1CCC[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000394501781 259360476 /nfs/dbraw/zinc/36/04/76/259360476.db2.gz BHVMEHSVEQMXNE-ZQDZILKHSA-N 2 1 236.403 2.354 20 0 BEADMP CSCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247974715 136373443 /nfs/dbraw/zinc/37/34/43/136373443.db2.gz HQCHMDAGYCLRQX-CHWSQXEVSA-N 2 1 242.432 2.156 20 0 BEADMP CSCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247974715 136373444 /nfs/dbraw/zinc/37/34/44/136373444.db2.gz HQCHMDAGYCLRQX-CHWSQXEVSA-N 2 1 242.432 2.156 20 0 BEADMP CSCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247974715 136373445 /nfs/dbraw/zinc/37/34/45/136373445.db2.gz HQCHMDAGYCLRQX-CHWSQXEVSA-N 2 1 242.432 2.156 20 0 BEADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000083565810 343490766 /nfs/dbraw/zinc/49/07/66/343490766.db2.gz RCSXUZRJTLLVCH-ZWNOBZJWSA-N 2 1 204.317 2.075 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccnc1 ZINC000049553111 343601750 /nfs/dbraw/zinc/60/17/50/343601750.db2.gz VTQALOVWZGRWNT-NWDGAFQWSA-N 2 1 221.348 2.072 20 0 BEADMP Cc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)c(F)c1 ZINC000631139619 343626648 /nfs/dbraw/zinc/62/66/48/343626648.db2.gz KFFUUPHFWPNORI-LBPRGKRZSA-N 2 1 238.350 2.421 20 0 BEADMP CCC[NH+](CCC)CCC[NH2+]Cc1cn[nH]c1 ZINC000590302552 346951384 /nfs/dbraw/zinc/95/13/84/346951384.db2.gz PXVIBBMAWHTQQJ-UHFFFAOYSA-N 2 1 238.379 2.011 20 0 BEADMP CC/C=C\CC[N@H+]1CCc2nc[nH]c2C1 ZINC000625436235 343733760 /nfs/dbraw/zinc/73/37/60/343733760.db2.gz GTNCSNZHIJMTEX-ARJAWSKDSA-N 2 1 205.305 2.124 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(C)CCC1 ZINC000090219874 343750057 /nfs/dbraw/zinc/75/00/57/343750057.db2.gz DKCLPCRMJLBEIG-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H](CC[N@@H+]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000050228107 343782835 /nfs/dbraw/zinc/78/28/35/343782835.db2.gz MBRVMRWXSCNZFB-JSGCOSHPSA-N 2 1 218.344 2.213 20 0 BEADMP C[C@@H](CC[N@H+]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000050228107 343782837 /nfs/dbraw/zinc/78/28/37/343782837.db2.gz MBRVMRWXSCNZFB-JSGCOSHPSA-N 2 1 218.344 2.213 20 0 BEADMP CC1(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000336667027 537816343 /nfs/dbraw/zinc/81/63/43/537816343.db2.gz LYYHWELNXZLKNA-LBPRGKRZSA-N 2 1 222.376 2.251 20 0 BEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336675100 537824234 /nfs/dbraw/zinc/82/42/34/537824234.db2.gz PFUNSVUHENBLLX-RFGFWPKPSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336675100 537824238 /nfs/dbraw/zinc/82/42/38/537824238.db2.gz PFUNSVUHENBLLX-RFGFWPKPSA-N 2 1 224.392 2.493 20 0 BEADMP CCCCOCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429543429 192366755 /nfs/dbraw/zinc/36/67/55/192366755.db2.gz WDOAIBUNIZMGQM-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP CCCCOCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429543432 192366605 /nfs/dbraw/zinc/36/66/05/192366605.db2.gz WDOAIBUNIZMGQM-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000336734937 537832475 /nfs/dbraw/zinc/83/24/75/537832475.db2.gz LHBJAYWVLGJJCL-IACUBPJLSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000336734937 537832483 /nfs/dbraw/zinc/83/24/83/537832483.db2.gz LHBJAYWVLGJJCL-IACUBPJLSA-N 2 1 224.392 2.495 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCC1(C)C ZINC000336707809 537830826 /nfs/dbraw/zinc/83/08/26/537830826.db2.gz RXVZRDDFBLHKFJ-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP C[N@@H+](C[C@@H]1CCSC1)C[C@@H]1CCC[NH+](C)C1 ZINC000495060197 529956978 /nfs/dbraw/zinc/95/69/78/529956978.db2.gz PZLZHIVKCRPXJB-OLZOCXBDSA-N 2 1 242.432 2.013 20 0 BEADMP C[NH+](C[C@@H]1CCSC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000495060197 529956979 /nfs/dbraw/zinc/95/69/79/529956979.db2.gz PZLZHIVKCRPXJB-OLZOCXBDSA-N 2 1 242.432 2.013 20 0 BEADMP C[NH+](C[C@@H]1CCSC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000495060197 529956980 /nfs/dbraw/zinc/95/69/80/529956980.db2.gz PZLZHIVKCRPXJB-OLZOCXBDSA-N 2 1 242.432 2.013 20 0 BEADMP CCC(CC)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000040621441 344125207 /nfs/dbraw/zinc/12/52/07/344125207.db2.gz NPLDKIAVAMREJO-GFCCVEGCSA-N 2 1 212.381 2.495 20 0 BEADMP Cc1cnccc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000384906737 344221688 /nfs/dbraw/zinc/22/16/88/344221688.db2.gz AQVDJCBJSBWEFG-AWEZNQCLSA-N 2 1 235.375 2.195 20 0 BEADMP Cc1cnccc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000384906737 344221691 /nfs/dbraw/zinc/22/16/91/344221691.db2.gz AQVDJCBJSBWEFG-AWEZNQCLSA-N 2 1 235.375 2.195 20 0 BEADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000130738935 344225377 /nfs/dbraw/zinc/22/53/77/344225377.db2.gz SWWCGZJOQRVZFE-GOEBONIOSA-N 2 1 246.398 2.467 20 0 BEADMP c1ccc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]3C2)cc1 ZINC000101750521 344425064 /nfs/dbraw/zinc/42/50/64/344425064.db2.gz HMEQPPDSBRYYKW-GJZGRUSLSA-N 2 1 230.355 2.118 20 0 BEADMP CC(C)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000043417571 344501684 /nfs/dbraw/zinc/50/16/84/344501684.db2.gz RWXYOHFOCUDCND-UHFFFAOYSA-N 2 1 212.381 2.483 20 0 BEADMP C[N@@H+](CCC1CC[NH2+]CC1)CC(C)(C)C ZINC000045074292 344555791 /nfs/dbraw/zinc/55/57/91/344555791.db2.gz AZOFTZHCUBHECZ-UHFFFAOYSA-N 2 1 212.381 2.354 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+]CC1(C)CCC1 ZINC000336772924 537850339 /nfs/dbraw/zinc/85/03/39/537850339.db2.gz YFEHKBFVXQYFGL-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP Cc1ccc(C)c(C[N@@H+](C)CCC[NH3+])c1 ZINC000049256635 344601301 /nfs/dbraw/zinc/60/13/01/344601301.db2.gz WIOSHHQATYMTRE-UHFFFAOYSA-N 2 1 206.333 2.084 20 0 BEADMP CSC[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000399997684 344748696 /nfs/dbraw/zinc/74/86/96/344748696.db2.gz LJDNHOMCPUFNNE-OLZOCXBDSA-N 2 1 242.432 2.204 20 0 BEADMP CSC[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000399993728 344748712 /nfs/dbraw/zinc/74/87/12/344748712.db2.gz IGLCTYRAPREGHQ-CYBMUJFWSA-N 2 1 242.432 2.204 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2(C)CCC2)C1 ZINC000234336205 537866295 /nfs/dbraw/zinc/86/62/95/537866295.db2.gz YGSRHMSNRNWKAO-LBPRGKRZSA-N 2 1 210.365 2.108 20 0 BEADMP CCOCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339076106 537872403 /nfs/dbraw/zinc/87/24/03/537872403.db2.gz SFEZTFSMGHFBTK-KBPBESRZSA-N 2 1 240.391 2.020 20 0 BEADMP CC[NH2+]CCC[NH2+][C@H](C)c1cc(C)ccn1 ZINC000578878202 344923301 /nfs/dbraw/zinc/92/33/01/344923301.db2.gz ANFPSIMKIZHOHM-GFCCVEGCSA-N 2 1 221.348 2.040 20 0 BEADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000583419440 344929972 /nfs/dbraw/zinc/92/99/72/344929972.db2.gz APJPTLVESDRWPK-QWHCGFSZSA-N 2 1 210.365 2.345 20 0 BEADMP CCCCC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000583419440 344929975 /nfs/dbraw/zinc/92/99/75/344929975.db2.gz APJPTLVESDRWPK-QWHCGFSZSA-N 2 1 210.365 2.345 20 0 BEADMP CCCCC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000583419440 344929977 /nfs/dbraw/zinc/92/99/77/344929977.db2.gz APJPTLVESDRWPK-QWHCGFSZSA-N 2 1 210.365 2.345 20 0 BEADMP CCCCC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000583419440 344929980 /nfs/dbraw/zinc/92/99/80/344929980.db2.gz APJPTLVESDRWPK-QWHCGFSZSA-N 2 1 210.365 2.345 20 0 BEADMP Cc1ccc([C@H](C)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000628191881 344946600 /nfs/dbraw/zinc/94/66/00/344946600.db2.gz YGSYAXSUPOHCLI-BMFZPTHFSA-N 2 1 244.382 2.250 20 0 BEADMP CC(C)=CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248008061 345012847 /nfs/dbraw/zinc/01/28/47/345012847.db2.gz KZTPLPXCGNGXHF-UONOGXRCSA-N 2 1 222.376 2.369 20 0 BEADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248008061 345012849 /nfs/dbraw/zinc/01/28/49/345012849.db2.gz KZTPLPXCGNGXHF-UONOGXRCSA-N 2 1 222.376 2.369 20 0 BEADMP CC(C)=CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248008061 345012852 /nfs/dbraw/zinc/01/28/52/345012852.db2.gz KZTPLPXCGNGXHF-UONOGXRCSA-N 2 1 222.376 2.369 20 0 BEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000155845854 345106269 /nfs/dbraw/zinc/10/62/69/345106269.db2.gz YYUPDPZZLUYRJG-UONOGXRCSA-N 2 1 222.376 2.393 20 0 BEADMP C([N@@H+]1CCCC[C@@H]1C1CCC1)C12CC(C1)CN2 ZINC000634996681 345191302 /nfs/dbraw/zinc/19/13/02/345191302.db2.gz QNTMBJFXOKGISA-HNFVBEJKSA-N 2 1 234.387 2.393 20 0 BEADMP C([N@H+]1CCCC[C@@H]1C1CCC1)C12CC(C1)CN2 ZINC000634996681 345191304 /nfs/dbraw/zinc/19/13/04/345191304.db2.gz QNTMBJFXOKGISA-HNFVBEJKSA-N 2 1 234.387 2.393 20 0 BEADMP C1=CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000156130008 345130115 /nfs/dbraw/zinc/13/01/15/345130115.db2.gz BDPAISBURWTYQS-MJBXVCDLSA-N 2 1 220.360 2.312 20 0 BEADMP C1=CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000156130137 345130350 /nfs/dbraw/zinc/13/03/50/345130350.db2.gz BDPAISBURWTYQS-MELADBBJSA-N 2 1 220.360 2.312 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCS2)CC[N@H+]1C ZINC000156157480 345133909 /nfs/dbraw/zinc/13/39/09/345133909.db2.gz OGCPYAHJXZQHBB-UPJWGTAASA-N 2 1 242.432 2.344 20 0 BEADMP C([N@H+]1CC[C@@H]2CCCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634996582 345188792 /nfs/dbraw/zinc/18/87/92/345188792.db2.gz OKLIKUTZCGTWIJ-QPPOZKHWSA-N 2 1 220.360 2.003 20 0 BEADMP CCC(C)(C)CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000635024492 345225258 /nfs/dbraw/zinc/22/52/58/345225258.db2.gz YZGRLTSNRDXVSS-NEPJUHHUSA-N 2 1 212.381 2.400 20 0 BEADMP C[C@@H](CC[NH2+]CC1(F)CC1)[NH+]1CCCCC1 ZINC000381287916 345245129 /nfs/dbraw/zinc/24/51/29/345245129.db2.gz ZZGGJXJZENHCPZ-LBPRGKRZSA-N 2 1 228.355 2.343 20 0 BEADMP C[C@@H]1C[N@H+](Cc2cscc2Cl)C[C@H]1C[NH3+] ZINC000634998124 345197585 /nfs/dbraw/zinc/19/75/85/345197585.db2.gz AZJYGJSKUBPNLT-RKDXNWHRSA-N 2 1 244.791 2.428 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2cscc2Cl)C[C@H]1C[NH3+] ZINC000634998124 345197588 /nfs/dbraw/zinc/19/75/88/345197588.db2.gz AZJYGJSKUBPNLT-RKDXNWHRSA-N 2 1 244.791 2.428 20 0 BEADMP Cc1ccsc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999744 345200473 /nfs/dbraw/zinc/20/04/73/345200473.db2.gz YNWZGCQEXRIFHS-WDEREUQCSA-N 2 1 224.373 2.083 20 0 BEADMP C[C@H](CC1CCC1)[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000635001784 345201171 /nfs/dbraw/zinc/20/11/71/345201171.db2.gz FYULFGKGFONEHK-DMDPSCGWSA-N 2 1 210.365 2.153 20 0 BEADMP CCOc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000635000504 345202168 /nfs/dbraw/zinc/20/21/68/345202168.db2.gz PSMVAUYCAWYXCW-TZMCWYRMSA-N 2 1 248.370 2.112 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCCC12CC2)c1c[nH+]ccc1N ZINC000635003711 345206895 /nfs/dbraw/zinc/20/68/95/345206895.db2.gz KNYWFXHEFJFORP-MFKMUULPSA-N 2 1 231.343 2.477 20 0 BEADMP CSCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158475932 345337910 /nfs/dbraw/zinc/33/79/10/345337910.db2.gz HQCHMDAGYCLRQX-STQMWFEESA-N 2 1 242.432 2.156 20 0 BEADMP Cc1c[nH+]ccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158367920 345326851 /nfs/dbraw/zinc/32/68/51/345326851.db2.gz QREUCTWCOMPDIR-CHWSQXEVSA-N 2 1 231.343 2.429 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000090724227 345575673 /nfs/dbraw/zinc/57/56/73/345575673.db2.gz JWINGNHVDHBKRN-OCCSQVGLSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000231440451 345752680 /nfs/dbraw/zinc/75/26/80/345752680.db2.gz XMMRKWIARHBJQY-WCQYABFASA-N 2 1 206.333 2.383 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(C)c1 ZINC000231440502 345752793 /nfs/dbraw/zinc/75/27/93/345752793.db2.gz XMMRKWIARHBJQY-DGCLKSJQSA-N 2 1 206.333 2.383 20 0 BEADMP CC1(C)C[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300358574 345852906 /nfs/dbraw/zinc/85/29/06/345852906.db2.gz IPVXRFFYDJXAEH-AGIUHOORSA-N 2 1 222.376 2.249 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2C[C@@H](C)[C@H]2C)C1 ZINC000381498342 346156748 /nfs/dbraw/zinc/15/67/48/346156748.db2.gz CEISMJMZVDSYLE-MQYQWHSLSA-N 2 1 224.392 2.351 20 0 BEADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000215908715 349944657 /nfs/dbraw/zinc/94/46/57/349944657.db2.gz YQTIEJVZQWOHBB-GXFFZTMASA-N 2 1 238.762 2.395 20 0 BEADMP Cc1ccccc1[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320068 537956789 /nfs/dbraw/zinc/95/67/89/537956789.db2.gz NZDSDZBHTWOTNB-MCIONIFRSA-N 2 1 230.355 2.207 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CCC[C@@H]1CN ZINC000122158007 179036230 /nfs/dbraw/zinc/03/62/30/179036230.db2.gz UEMCTPDQNTUDSJ-CYBMUJFWSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1cccc(C)c1CN1CCC[C@@H]1C[NH3+] ZINC000122158007 179036233 /nfs/dbraw/zinc/03/62/33/179036233.db2.gz UEMCTPDQNTUDSJ-CYBMUJFWSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000122158007 179036236 /nfs/dbraw/zinc/03/62/36/179036236.db2.gz UEMCTPDQNTUDSJ-CYBMUJFWSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000122158007 179036238 /nfs/dbraw/zinc/03/62/38/179036238.db2.gz UEMCTPDQNTUDSJ-CYBMUJFWSA-N 2 1 218.344 2.227 20 0 BEADMP CC(C)C[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000052378552 346321678 /nfs/dbraw/zinc/32/16/78/346321678.db2.gz IKMDKKJRPXPMIM-OLZOCXBDSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)C[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000052378552 346321681 /nfs/dbraw/zinc/32/16/81/346321681.db2.gz IKMDKKJRPXPMIM-OLZOCXBDSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)[C@H]1C ZINC000669378554 537969395 /nfs/dbraw/zinc/96/93/95/537969395.db2.gz GODLHYWPBQHANE-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP CO[C@H](CC(C)C)C[NH+]1CCC([NH+](C)C)CC1 ZINC000419196282 192101375 /nfs/dbraw/zinc/10/13/75/192101375.db2.gz ZFCIYAWNVWRXKC-CQSZACIVSA-N 2 1 242.407 2.074 20 0 BEADMP Cc1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)nc1 ZINC000334175558 346438768 /nfs/dbraw/zinc/43/87/68/346438768.db2.gz CJKZYYYVKLFKEJ-ZFWWWQNUSA-N 2 1 247.386 2.305 20 0 BEADMP Cc1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)nc1 ZINC000334175558 346438769 /nfs/dbraw/zinc/43/87/69/346438769.db2.gz CJKZYYYVKLFKEJ-ZFWWWQNUSA-N 2 1 247.386 2.305 20 0 BEADMP Cc1ccc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)nc1 ZINC000334175558 346438771 /nfs/dbraw/zinc/43/87/71/346438771.db2.gz CJKZYYYVKLFKEJ-ZFWWWQNUSA-N 2 1 247.386 2.305 20 0 BEADMP CCC(F)(F)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000641798166 362743223 /nfs/dbraw/zinc/74/32/23/362743223.db2.gz IFEQMKPWFWPSFI-NEPJUHHUSA-N 2 1 246.345 2.353 20 0 BEADMP CCC(F)(F)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000641798166 362743226 /nfs/dbraw/zinc/74/32/26/362743226.db2.gz IFEQMKPWFWPSFI-NEPJUHHUSA-N 2 1 246.345 2.353 20 0 BEADMP CC[C@@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)[C@@H]1CCOC1 ZINC000580605088 365819554 /nfs/dbraw/zinc/81/95/54/365819554.db2.gz AJENJELJLLXGHH-BFHYXJOUSA-N 2 1 242.407 2.120 20 0 BEADMP CC[C@@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)[C@@H]1CCOC1 ZINC000580605088 365819558 /nfs/dbraw/zinc/81/95/58/365819558.db2.gz AJENJELJLLXGHH-BFHYXJOUSA-N 2 1 242.407 2.120 20 0 BEADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000641804247 362760971 /nfs/dbraw/zinc/76/09/71/362760971.db2.gz XBKACEUKKYGOJX-VXGBXAGGSA-N 2 1 240.297 2.180 20 0 BEADMP C[C@@H]1CC[C@H](CN)[N@@H+](C[C@H]2CCCCO2)[C@@H]1C ZINC000641806334 362764371 /nfs/dbraw/zinc/76/43/71/362764371.db2.gz QOZWLPCQGAMIGS-AAVRWANBSA-N 2 1 240.391 2.003 20 0 BEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@H]2CCCCO2)[C@@H]1C ZINC000641806334 362764384 /nfs/dbraw/zinc/76/43/84/362764384.db2.gz QOZWLPCQGAMIGS-AAVRWANBSA-N 2 1 240.391 2.003 20 0 BEADMP Cc1cccc(N(C)C[C@@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000157588977 179116325 /nfs/dbraw/zinc/11/63/25/179116325.db2.gz GJKKIHCYPBBHQA-CYBMUJFWSA-N 2 1 233.359 2.168 20 0 BEADMP Cc1cccc(N(C)C[C@@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000157588977 179116327 /nfs/dbraw/zinc/11/63/27/179116327.db2.gz GJKKIHCYPBBHQA-CYBMUJFWSA-N 2 1 233.359 2.168 20 0 BEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)C1CCSCC1 ZINC000186946824 346549803 /nfs/dbraw/zinc/54/98/03/346549803.db2.gz LITYXOQNEDIWKQ-NSHDSACASA-N 2 1 242.432 2.202 20 0 BEADMP Cc1cccc(N2CC[C@H](C[NH+]3CCCC3)C2)[nH+]1 ZINC000292954405 179123557 /nfs/dbraw/zinc/12/35/57/179123557.db2.gz CEQCJAGQWYTKKN-CQSZACIVSA-N 2 1 245.370 2.312 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000301012146 346566912 /nfs/dbraw/zinc/56/69/12/346566912.db2.gz YZIPOXSYKJSEMR-XQQFMLRXSA-N 2 1 212.381 2.480 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580715154 346658971 /nfs/dbraw/zinc/65/89/71/346658971.db2.gz QAFWTKYEMCEVRX-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H](c1ccccc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252699705 346780683 /nfs/dbraw/zinc/78/06/83/346780683.db2.gz VTIFYBOKHPLFSV-FRRDWIJNSA-N 2 1 218.344 2.417 20 0 BEADMP Cc1cccc(N[C@@H](C)[C@H]2CCC[NH2+]C2)[nH+]1 ZINC000050164108 179153701 /nfs/dbraw/zinc/15/37/01/179153701.db2.gz FNYJIYIZMGROFY-RYUDHWBXSA-N 2 1 219.332 2.190 20 0 BEADMP Cc1cccc(OCC[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000042896878 179165556 /nfs/dbraw/zinc/16/55/56/179165556.db2.gz VMLPKQNOTQOUAZ-UKRRQHHQSA-N 2 1 248.370 2.043 20 0 BEADMP Cc1ccsc1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622006303 370656799 /nfs/dbraw/zinc/65/67/99/370656799.db2.gz XQVWAWVLLAWRDD-DGCLKSJQSA-N 2 1 236.384 2.370 20 0 BEADMP Cc1ccsc1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622006303 370656802 /nfs/dbraw/zinc/65/68/02/370656802.db2.gz XQVWAWVLLAWRDD-DGCLKSJQSA-N 2 1 236.384 2.370 20 0 BEADMP CCC(C)(C)[C@@H](C)[NH2+]CCC[N@@H+](C)CCOC ZINC000582044731 347126252 /nfs/dbraw/zinc/12/62/52/347126252.db2.gz GKEGGHMFVITZCD-CYBMUJFWSA-N 2 1 244.423 2.369 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000353578851 187373058 /nfs/dbraw/zinc/37/30/58/187373058.db2.gz TUDYZPCAZPMTJP-HZSPNIEDSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000353578851 187373060 /nfs/dbraw/zinc/37/30/60/187373060.db2.gz TUDYZPCAZPMTJP-HZSPNIEDSA-N 2 1 242.407 2.120 20 0 BEADMP Cc1cccc([C@H](C)[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000050245513 179195171 /nfs/dbraw/zinc/19/51/71/179195171.db2.gz UQMWVBRNPKQUTF-QWHCGFSZSA-N 2 1 218.344 2.337 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CC(C)(C)C1 ZINC000382440723 347334860 /nfs/dbraw/zinc/33/48/60/347334860.db2.gz TYYBCXBXNXTOOW-ZYHUDNBSSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CC(C)(C)C1 ZINC000382440723 347334862 /nfs/dbraw/zinc/33/48/62/347334862.db2.gz TYYBCXBXNXTOOW-ZYHUDNBSSA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000356877080 187377039 /nfs/dbraw/zinc/37/70/39/187377039.db2.gz RVNCSHIRFXTCBH-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)C1CCC1 ZINC000401662796 347507594 /nfs/dbraw/zinc/50/75/94/347507594.db2.gz YUTNWNJFYFTVCA-CYBMUJFWSA-N 2 1 221.348 2.131 20 0 BEADMP CCc1nc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(C)[nH+]1 ZINC000302563123 347586312 /nfs/dbraw/zinc/58/63/12/347586312.db2.gz YWBVLAOBSBVXDT-NWDGAFQWSA-N 2 1 248.374 2.242 20 0 BEADMP CCc1nc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(C)[nH+]1 ZINC000302563123 347586315 /nfs/dbraw/zinc/58/63/15/347586315.db2.gz YWBVLAOBSBVXDT-NWDGAFQWSA-N 2 1 248.374 2.242 20 0 BEADMP Cc1ccccc1C[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000043327215 179289201 /nfs/dbraw/zinc/28/92/01/179289201.db2.gz MZWRKSPXORDPLV-HIFRSBDPSA-N 2 1 232.371 2.268 20 0 BEADMP C[C@H]1c2c(F)cccc2CC[N@H+]1CCC[NH3+] ZINC000577351924 365931313 /nfs/dbraw/zinc/93/13/13/365931313.db2.gz NAAWFWWEEYDYTR-JTQLQIEISA-N 2 1 222.307 2.094 20 0 BEADMP C[C@H]1c2c(F)cccc2CC[N@@H+]1CCC[NH3+] ZINC000577351924 365931324 /nfs/dbraw/zinc/93/13/24/365931324.db2.gz NAAWFWWEEYDYTR-JTQLQIEISA-N 2 1 222.307 2.094 20 0 BEADMP Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H](C)[NH3+] ZINC000336405948 179347756 /nfs/dbraw/zinc/34/77/56/179347756.db2.gz DSLRHJMTZVLHKH-TZMCWYRMSA-N 2 1 218.344 2.479 20 0 BEADMP CCc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])s1 ZINC000308534177 323175201 /nfs/dbraw/zinc/17/52/01/323175201.db2.gz LUQOKQDCUQPPMG-BDAKNGLRSA-N 2 1 212.362 2.136 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)CSCCF)CC1 ZINC000595004276 348169920 /nfs/dbraw/zinc/16/99/20/348169920.db2.gz OEEFSZZPRGZAAB-NSHDSACASA-N 2 1 248.411 2.152 20 0 BEADMP C[C@H](CSCCF)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000595025267 348172501 /nfs/dbraw/zinc/17/25/01/348172501.db2.gz KRGLUQBRNHGNIA-GRYCIOLGSA-N 2 1 248.411 2.150 20 0 BEADMP C[C@H](CSCCF)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000595025267 348172504 /nfs/dbraw/zinc/17/25/04/348172504.db2.gz KRGLUQBRNHGNIA-GRYCIOLGSA-N 2 1 248.411 2.150 20 0 BEADMP Cc1cccnc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000161853713 179372062 /nfs/dbraw/zinc/37/20/62/179372062.db2.gz XOPUJGVGOXSFQW-CYBMUJFWSA-N 2 1 233.359 2.093 20 0 BEADMP Cc1cccnc1C[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000093465852 179384545 /nfs/dbraw/zinc/38/45/45/179384545.db2.gz MPTSALZKXHNMFI-CHWSQXEVSA-N 2 1 233.359 2.010 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCOCC2)CC1(C)C ZINC000623484837 362908953 /nfs/dbraw/zinc/90/89/53/362908953.db2.gz DKNBOTCNWXWLQW-CHWSQXEVSA-N 2 1 240.391 2.018 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCOCC2)CC1(C)C ZINC000623484840 362909263 /nfs/dbraw/zinc/90/92/63/362909263.db2.gz DKNBOTCNWXWLQW-STQMWFEESA-N 2 1 240.391 2.018 20 0 BEADMP CSCC1(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000596648918 348604643 /nfs/dbraw/zinc/60/46/43/348604643.db2.gz BEDKRMVTBSPVCF-VXGBXAGGSA-N 2 1 242.432 2.107 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCSC2)CC1(C)C ZINC000623509999 362935665 /nfs/dbraw/zinc/93/56/65/362935665.db2.gz BJPLQZVDMYWHDQ-RYUDHWBXSA-N 2 1 242.432 2.202 20 0 BEADMP CSC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000598965325 349068753 /nfs/dbraw/zinc/06/87/53/349068753.db2.gz XZFGIMGPBLHBSB-GHMZBOCLSA-N 2 1 230.421 2.200 20 0 BEADMP C[C@H]([NH2+]CCc1ccc(O)cc1)[C@@H]1CCCC[NH2+]1 ZINC000386530132 349108928 /nfs/dbraw/zinc/10/89/28/349108928.db2.gz AJFSCJFAAATPLY-WFASDCNBSA-N 2 1 248.370 2.055 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CSC2(C)C)CC1(C)C ZINC000623516293 362940661 /nfs/dbraw/zinc/94/06/61/362940661.db2.gz LVMNBSJQJPTDOK-MNOVXSKESA-N 2 1 242.432 2.343 20 0 BEADMP CCc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)s1 ZINC000250453238 349171174 /nfs/dbraw/zinc/17/11/74/349171174.db2.gz ZVZJRIJMNSQSRI-MNOVXSKESA-N 2 1 238.400 2.480 20 0 BEADMP C[C@@H]([NH2+]CCc1ccsc1)[C@H]1CCCC[NH2+]1 ZINC000386540227 349273676 /nfs/dbraw/zinc/27/36/76/349273676.db2.gz DAIIILLHDMGJCD-DGCLKSJQSA-N 2 1 238.400 2.411 20 0 BEADMP C[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623524324 362945023 /nfs/dbraw/zinc/94/50/23/362945023.db2.gz OASJFEAYKRVBPG-GRYCIOLGSA-N 2 1 210.365 2.247 20 0 BEADMP CC[NH2+]CCC[NH2+][C@H](C)c1sc(C)nc1C ZINC000061299821 349367367 /nfs/dbraw/zinc/36/73/67/349367367.db2.gz PRCVZJGCRMWJEX-SECBINFHSA-N 2 1 241.404 2.410 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)s1 ZINC000070798693 350059138 /nfs/dbraw/zinc/05/91/38/350059138.db2.gz WWQBRUGKYWUHCU-NSHDSACASA-N 2 1 238.400 2.352 20 0 BEADMP C[N@@H+](CCC[NH2+]C1CSC1)C1CCCCC1 ZINC000390549790 538048642 /nfs/dbraw/zinc/04/86/42/538048642.db2.gz OHTNQASWUXMCJN-UHFFFAOYSA-N 2 1 242.432 2.346 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC[N@@H+]1C ZINC000304424140 350155908 /nfs/dbraw/zinc/15/59/08/350155908.db2.gz AHHRONQSITVESW-HTOAHKCRSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC[N@H+]1C ZINC000304424140 350155913 /nfs/dbraw/zinc/15/59/13/350155913.db2.gz AHHRONQSITVESW-HTOAHKCRSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)C ZINC000133326674 191040525 /nfs/dbraw/zinc/04/05/25/191040525.db2.gz XZIQPSYCMVVNCT-WOPDTQHZSA-N 2 1 212.381 2.493 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)C ZINC000133326674 191040528 /nfs/dbraw/zinc/04/05/28/191040528.db2.gz XZIQPSYCMVVNCT-WOPDTQHZSA-N 2 1 212.381 2.493 20 0 BEADMP CCC[N@H+](CC)CC[NH2+]C[C@@H](C)CC ZINC000133577611 191042009 /nfs/dbraw/zinc/04/20/09/191042009.db2.gz XXAJKKYSHBURBM-LBPRGKRZSA-N 2 1 200.370 2.354 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+]C[C@@H](C)CC ZINC000133577611 191042012 /nfs/dbraw/zinc/04/20/12/191042012.db2.gz XXAJKKYSHBURBM-LBPRGKRZSA-N 2 1 200.370 2.354 20 0 BEADMP Cc1ncc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])s1 ZINC000069721145 180142793 /nfs/dbraw/zinc/14/27/93/180142793.db2.gz UCELTMLNPXXGRC-LLVKDONJSA-N 2 1 239.388 2.155 20 0 BEADMP Cc1ncc(C[N@H+]2CCCC[C@@H]2CC[NH3+])s1 ZINC000069721145 180142795 /nfs/dbraw/zinc/14/27/95/180142795.db2.gz UCELTMLNPXXGRC-LLVKDONJSA-N 2 1 239.388 2.155 20 0 BEADMP Cc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])cc1 ZINC000040925840 191062586 /nfs/dbraw/zinc/06/25/86/191062586.db2.gz ZBBQLKVGZIBAMP-UHFFFAOYSA-N 2 1 206.333 2.164 20 0 BEADMP Cc1ccc(C[N@H+](C)CC(C)(C)[NH3+])cc1 ZINC000040925840 191062589 /nfs/dbraw/zinc/06/25/89/191062589.db2.gz ZBBQLKVGZIBAMP-UHFFFAOYSA-N 2 1 206.333 2.164 20 0 BEADMP Cc1nccc(NC[C@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC000266190671 180201340 /nfs/dbraw/zinc/20/13/40/180201340.db2.gz BTMHVRGPQNQWKH-RYUDHWBXSA-N 2 1 248.374 2.317 20 0 BEADMP Cc1ncccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322568107 180220333 /nfs/dbraw/zinc/22/03/33/180220333.db2.gz FIGGPXKAFISTLS-GOOCMWNKSA-N 2 1 245.370 2.105 20 0 BEADMP Cc1ncccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322568107 180220337 /nfs/dbraw/zinc/22/03/37/180220337.db2.gz FIGGPXKAFISTLS-GOOCMWNKSA-N 2 1 245.370 2.105 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)C[C@H]1C ZINC000336696834 180239373 /nfs/dbraw/zinc/23/93/73/180239373.db2.gz HEQVCIWNCYKOCS-VXGBXAGGSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)C[C@H]1C ZINC000336696834 180239374 /nfs/dbraw/zinc/23/93/74/180239374.db2.gz HEQVCIWNCYKOCS-VXGBXAGGSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH+]1CCSCC1 ZINC000125469745 180232121 /nfs/dbraw/zinc/23/21/21/180232121.db2.gz XPTRQFLROMWQGO-UHFFFAOYSA-N 2 1 239.388 2.021 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H]1CCC=CO1 ZINC000194476820 180235087 /nfs/dbraw/zinc/23/50/87/180235087.db2.gz CQNAOIFYLNVXCP-AWEZNQCLSA-N 2 1 249.358 2.254 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CCSC[C@@H]1C ZINC000270636665 180240086 /nfs/dbraw/zinc/24/00/86/180240086.db2.gz MHHGNGNTIBOYEL-NSHDSACASA-N 2 1 239.388 2.019 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCSC[C@@H]1C ZINC000270636665 180240089 /nfs/dbraw/zinc/24/00/89/180240089.db2.gz MHHGNGNTIBOYEL-NSHDSACASA-N 2 1 239.388 2.019 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C(C)C)C1CC1 ZINC000336693765 180236047 /nfs/dbraw/zinc/23/60/47/180236047.db2.gz DVZRSHFTMNRBIH-UHFFFAOYSA-N 2 1 221.348 2.454 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C(C)C)C1CC1 ZINC000336693765 180236049 /nfs/dbraw/zinc/23/60/49/180236049.db2.gz DVZRSHFTMNRBIH-UHFFFAOYSA-N 2 1 221.348 2.454 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCSC1 ZINC000270671395 180237345 /nfs/dbraw/zinc/23/73/45/180237345.db2.gz SFURNKOMZBLGIE-LBPRGKRZSA-N 2 1 239.388 2.019 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCSC1 ZINC000270671395 180237346 /nfs/dbraw/zinc/23/73/46/180237346.db2.gz SFURNKOMZBLGIE-LBPRGKRZSA-N 2 1 239.388 2.019 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C)[C@H]1C ZINC000336691815 180238680 /nfs/dbraw/zinc/23/86/80/180238680.db2.gz CIIKWGOAKQHAPF-VXGBXAGGSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000336691815 180238683 /nfs/dbraw/zinc/23/86/83/180238683.db2.gz CIIKWGOAKQHAPF-VXGBXAGGSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+]CC(C)(C)C ZINC000263862595 180245837 /nfs/dbraw/zinc/24/58/37/180245837.db2.gz WLXIGOMKMYWVFU-UHFFFAOYSA-N 2 1 209.337 2.217 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H]1C ZINC000336782656 180246360 /nfs/dbraw/zinc/24/63/60/180246360.db2.gz YJPPBVXIRTUURZ-DGCLKSJQSA-N 2 1 221.348 2.360 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC1(C)C ZINC000309717471 180247045 /nfs/dbraw/zinc/24/70/45/180247045.db2.gz UNYWBHOMPWUERG-LBPRGKRZSA-N 2 1 221.348 2.360 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C(C)C)C1CC1 ZINC000270789246 180247207 /nfs/dbraw/zinc/24/72/07/180247207.db2.gz CAYRIZYTFANXFJ-UHFFFAOYSA-N 2 1 207.321 2.064 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C(C)C)C1CC1 ZINC000270789246 180247209 /nfs/dbraw/zinc/24/72/09/180247209.db2.gz CAYRIZYTFANXFJ-UHFFFAOYSA-N 2 1 207.321 2.064 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cccc(F)c1 ZINC000299026321 180250114 /nfs/dbraw/zinc/25/01/14/180250114.db2.gz JPRGREWTYUAQGF-UHFFFAOYSA-N 2 1 247.317 2.463 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1cccc(F)c1 ZINC000299026321 180250116 /nfs/dbraw/zinc/25/01/16/180250116.db2.gz JPRGREWTYUAQGF-UHFFFAOYSA-N 2 1 247.317 2.463 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)CCc1cccs1 ZINC000270922722 180251002 /nfs/dbraw/zinc/25/10/02/180251002.db2.gz VQHQMQNFDBCHMX-UHFFFAOYSA-N 2 1 249.383 2.428 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)CCc1cccs1 ZINC000270922722 180251005 /nfs/dbraw/zinc/25/10/05/180251005.db2.gz VQHQMQNFDBCHMX-UHFFFAOYSA-N 2 1 249.383 2.428 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)c1ccco1 ZINC000270623772 180252865 /nfs/dbraw/zinc/25/28/65/180252865.db2.gz DSMRRKUTPDXBGZ-NSHDSACASA-N 2 1 233.315 2.478 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)c1ccco1 ZINC000270623772 180252868 /nfs/dbraw/zinc/25/28/68/180252868.db2.gz DSMRRKUTPDXBGZ-NSHDSACASA-N 2 1 233.315 2.478 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+]C1(C(C)C)CC1 ZINC000339509353 180243114 /nfs/dbraw/zinc/24/31/14/180243114.db2.gz SEELARGBOJIZDT-UHFFFAOYSA-N 2 1 221.348 2.360 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](C)CC(C)C ZINC000309176838 180260471 /nfs/dbraw/zinc/26/04/71/180260471.db2.gz DBAZQIZKESKPAX-LBPRGKRZSA-N 2 1 223.364 2.463 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccncc1 ZINC000105443382 180265075 /nfs/dbraw/zinc/26/50/75/180265075.db2.gz MGQQXMHRKWRXMO-GFCCVEGCSA-N 2 1 244.342 2.012 20 0 BEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CC(C)C ZINC000052576312 180266511 /nfs/dbraw/zinc/26/65/11/180266511.db2.gz NKNKCXNUANJKDG-NSHDSACASA-N 2 1 209.337 2.073 20 0 BEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccccn1 ZINC000105443297 180266846 /nfs/dbraw/zinc/26/68/46/180266846.db2.gz HMXVIMUNKXYTEI-LBPRGKRZSA-N 2 1 244.342 2.012 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000324870986 350313342 /nfs/dbraw/zinc/31/33/42/350313342.db2.gz CBWGYTNFYJMDGI-DOMZBBRYSA-N 2 1 236.403 2.497 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000324871787 350313403 /nfs/dbraw/zinc/31/34/03/350313403.db2.gz CBWGYTNFYJMDGI-IUODEOHRSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1cc[nH+]c(N[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000162805782 350434060 /nfs/dbraw/zinc/43/40/60/350434060.db2.gz AUXDEMNFKHNEQU-NWDGAFQWSA-N 2 1 219.332 2.142 20 0 BEADMP Cc1cc[nH+]c(N[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000162805782 350434063 /nfs/dbraw/zinc/43/40/63/350434063.db2.gz AUXDEMNFKHNEQU-NWDGAFQWSA-N 2 1 219.332 2.142 20 0 BEADMP CC[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000336645794 350415545 /nfs/dbraw/zinc/41/55/45/350415545.db2.gz IYLMZJBEEUMYET-CHWSQXEVSA-N 2 1 210.365 2.345 20 0 BEADMP CC[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000336645794 350415547 /nfs/dbraw/zinc/41/55/47/350415547.db2.gz IYLMZJBEEUMYET-CHWSQXEVSA-N 2 1 210.365 2.345 20 0 BEADMP CC[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000336645794 350415551 /nfs/dbraw/zinc/41/55/51/350415551.db2.gz IYLMZJBEEUMYET-CHWSQXEVSA-N 2 1 210.365 2.345 20 0 BEADMP Cc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)ccn1 ZINC000623545011 362965742 /nfs/dbraw/zinc/96/57/42/362965742.db2.gz WYNQSTQNGWPICD-UHFFFAOYSA-N 2 1 247.386 2.354 20 0 BEADMP Fc1ccccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000163443373 350522885 /nfs/dbraw/zinc/52/28/85/350522885.db2.gz JRFRUJJGXRYRMA-UHFFFAOYSA-N 2 1 222.307 2.057 20 0 BEADMP CC/C=C/C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000384827169 350589574 /nfs/dbraw/zinc/58/95/74/350589574.db2.gz GFWPSUXIJOLDGR-ONEGZZNKSA-N 2 1 208.349 2.169 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000385164064 350776800 /nfs/dbraw/zinc/77/68/00/350776800.db2.gz CIDIONYEEUCZBQ-QWHCGFSZSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000385164064 350776804 /nfs/dbraw/zinc/77/68/04/350776804.db2.gz CIDIONYEEUCZBQ-QWHCGFSZSA-N 2 1 218.344 2.225 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC2(C)C)C1 ZINC000086856769 351038208 /nfs/dbraw/zinc/03/82/08/351038208.db2.gz QNAAKZYHTIAQJO-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccoc2)CC1(C)C ZINC000623569727 362998843 /nfs/dbraw/zinc/99/88/43/362998843.db2.gz VBTHMYXKIVCFGW-CYBMUJFWSA-N 2 1 236.359 2.285 20 0 BEADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccncc1 ZINC000218794401 191132063 /nfs/dbraw/zinc/13/20/63/191132063.db2.gz ZPLZWBCJLXKLMH-ZDUSSCGKSA-N 2 1 235.375 2.463 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccncc1 ZINC000218794401 191132066 /nfs/dbraw/zinc/13/20/66/191132066.db2.gz ZPLZWBCJLXKLMH-ZDUSSCGKSA-N 2 1 235.375 2.463 20 0 BEADMP C[N@@H+](CCCOc1ccccc1)C1CC[NH2+]CC1 ZINC000036300797 358461608 /nfs/dbraw/zinc/46/16/08/358461608.db2.gz LJIAFSJEYMQXCZ-UHFFFAOYSA-N 2 1 248.370 2.139 20 0 BEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000155845319 351543802 /nfs/dbraw/zinc/54/38/02/351543802.db2.gz XBZMINNYVZZJGS-QWHCGFSZSA-N 2 1 208.349 2.003 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cn1 ZINC000577620794 366021232 /nfs/dbraw/zinc/02/12/32/366021232.db2.gz SILDODISVKSDPW-DZGCQCFKSA-N 2 1 247.386 2.053 20 0 BEADMP CCC[C@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)OC ZINC000637930616 351807057 /nfs/dbraw/zinc/80/70/57/351807057.db2.gz QGJLDQRSKIHSCS-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[C@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)OC ZINC000637930616 351807059 /nfs/dbraw/zinc/80/70/59/351807059.db2.gz QGJLDQRSKIHSCS-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[C@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)OC ZINC000637930616 351807061 /nfs/dbraw/zinc/80/70/61/351807061.db2.gz QGJLDQRSKIHSCS-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[C@H](C[N@H+]1CC[C@@H](C[NH+](C)CC)C1)OC ZINC000638131887 352001557 /nfs/dbraw/zinc/00/15/57/352001557.db2.gz FDSXJYKNRHGNFJ-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[C@H](C[NH+]1CC[C@@H](C[N@H+](C)CC)C1)OC ZINC000638131887 352001558 /nfs/dbraw/zinc/00/15/58/352001558.db2.gz FDSXJYKNRHGNFJ-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[C@H](C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1)OC ZINC000638131887 352001559 /nfs/dbraw/zinc/00/15/59/352001559.db2.gz FDSXJYKNRHGNFJ-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP C[NH+](C)C1(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CCCC1 ZINC000638307699 352135295 /nfs/dbraw/zinc/13/52/95/352135295.db2.gz RZNAJYQQTBXHEB-BTTYYORXSA-N 2 1 236.403 2.497 20 0 BEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000577845945 366082693 /nfs/dbraw/zinc/08/26/93/366082693.db2.gz OXYRJSSFLLNZGY-CQSZACIVSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000577845945 366082697 /nfs/dbraw/zinc/08/26/97/366082697.db2.gz OXYRJSSFLLNZGY-CQSZACIVSA-N 2 1 242.407 2.218 20 0 BEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638336064 352154587 /nfs/dbraw/zinc/15/45/87/352154587.db2.gz XQFUWTJHKFXNOO-MHEUCROKSA-N 2 1 247.386 2.463 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+]CC1CCSCC1 ZINC000638337452 352156008 /nfs/dbraw/zinc/15/60/08/352156008.db2.gz HCIKDVMPOGGDRX-GFCCVEGCSA-N 2 1 244.448 2.450 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638387842 352197290 /nfs/dbraw/zinc/19/72/90/352197290.db2.gz YTGWZLHYTKDZDT-BTTYYORXSA-N 2 1 233.359 2.217 20 0 BEADMP CCC[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](CCC)C1)OC ZINC000638410035 352217330 /nfs/dbraw/zinc/21/73/30/352217330.db2.gz TYLJAJMWWOJSKD-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[C@H](C[NH2+]C[C@H]1CC[N@@H+](CCC)C1)OC ZINC000638410038 352217490 /nfs/dbraw/zinc/21/74/90/352217490.db2.gz TYLJAJMWWOJSKD-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@H]2C[C@H]2C)C1 ZINC000252952208 538103751 /nfs/dbraw/zinc/10/37/51/538103751.db2.gz FNPKKXROKDRZFD-JHJVBQTASA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@H]2C[C@H]2C)C1 ZINC000252952208 538103753 /nfs/dbraw/zinc/10/37/53/538103753.db2.gz FNPKKXROKDRZFD-JHJVBQTASA-N 2 1 210.365 2.105 20 0 BEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C[C@H]1C[C@@H]1C ZINC000336746057 352735727 /nfs/dbraw/zinc/73/57/27/352735727.db2.gz WBOWPGAJSOVHIU-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C[C@H]1C[C@@H]1C ZINC000336746057 352735730 /nfs/dbraw/zinc/73/57/30/352735730.db2.gz WBOWPGAJSOVHIU-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000307709604 353100548 /nfs/dbraw/zinc/10/05/48/353100548.db2.gz MYPLLKGTMMBZEU-LBPRGKRZSA-N 2 1 240.297 2.103 20 0 BEADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000307709604 353100550 /nfs/dbraw/zinc/10/05/50/353100550.db2.gz MYPLLKGTMMBZEU-LBPRGKRZSA-N 2 1 240.297 2.103 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC12CCCC2 ZINC000353274685 188060340 /nfs/dbraw/zinc/06/03/40/188060340.db2.gz JMYMXYOOHLCXFA-CYBMUJFWSA-N 2 1 233.359 2.275 20 0 BEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCF)C1 ZINC000361529308 188071804 /nfs/dbraw/zinc/07/18/04/188071804.db2.gz DNBWJHJAFFKENV-ZDUSSCGKSA-N 2 1 228.355 2.010 20 0 BEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCF)C1 ZINC000361529308 188071805 /nfs/dbraw/zinc/07/18/05/188071805.db2.gz DNBWJHJAFFKENV-ZDUSSCGKSA-N 2 1 228.355 2.010 20 0 BEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCF)C1 ZINC000361529308 188071807 /nfs/dbraw/zinc/07/18/07/188071807.db2.gz DNBWJHJAFFKENV-ZDUSSCGKSA-N 2 1 228.355 2.010 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+]CC(C)(C)C ZINC000045693539 353151423 /nfs/dbraw/zinc/15/14/23/353151423.db2.gz CUKAAQSMGRKYFB-NSHDSACASA-N 2 1 200.370 2.352 20 0 BEADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000304514174 188076661 /nfs/dbraw/zinc/07/66/61/188076661.db2.gz DSHXKISDGOSVPJ-ZIAGYGMSSA-N 2 1 224.392 2.354 20 0 BEADMP CC[C@@H]([NH2+][C@H]1CCCNC1)c1ccccc1 ZINC000051627265 353178617 /nfs/dbraw/zinc/17/86/17/353178617.db2.gz MTSQQNLQGDYCFG-UONOGXRCSA-N 2 1 218.344 2.479 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC000044534111 188123486 /nfs/dbraw/zinc/12/34/86/188123486.db2.gz ACWIQGVZQNTNBK-AWEZNQCLSA-N 2 1 218.344 2.118 20 0 BEADMP CC(C)=CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000309453283 188168026 /nfs/dbraw/zinc/16/80/26/188168026.db2.gz LRSCGKMXJPJZFR-MCIONIFRSA-N 2 1 222.376 2.415 20 0 BEADMP CC(C)=CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309453285 188168743 /nfs/dbraw/zinc/16/87/43/188168743.db2.gz LRSCGKMXJPJZFR-MGPQQGTHSA-N 2 1 222.376 2.415 20 0 BEADMP CC(C)COCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000336694486 188183004 /nfs/dbraw/zinc/18/30/04/188183004.db2.gz LJAGFPBPFKSDSH-ZIAGYGMSSA-N 2 1 242.407 2.074 20 0 BEADMP CC(C)COCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000336694486 188183005 /nfs/dbraw/zinc/18/30/05/188183005.db2.gz LJAGFPBPFKSDSH-ZIAGYGMSSA-N 2 1 242.407 2.074 20 0 BEADMP CC(C)COCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336694486 188183006 /nfs/dbraw/zinc/18/30/06/188183006.db2.gz LJAGFPBPFKSDSH-ZIAGYGMSSA-N 2 1 242.407 2.074 20 0 BEADMP CC(C)COCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336694486 188183007 /nfs/dbraw/zinc/18/30/07/188183007.db2.gz LJAGFPBPFKSDSH-ZIAGYGMSSA-N 2 1 242.407 2.074 20 0 BEADMP CC(C)COCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000336694483 188183088 /nfs/dbraw/zinc/18/30/88/188183088.db2.gz LJAGFPBPFKSDSH-KGLIPLIRSA-N 2 1 242.407 2.074 20 0 BEADMP CC(C)COCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000336694483 188183089 /nfs/dbraw/zinc/18/30/89/188183089.db2.gz LJAGFPBPFKSDSH-KGLIPLIRSA-N 2 1 242.407 2.074 20 0 BEADMP CC(C)COCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336694483 188183090 /nfs/dbraw/zinc/18/30/90/188183090.db2.gz LJAGFPBPFKSDSH-KGLIPLIRSA-N 2 1 242.407 2.074 20 0 BEADMP CC(C)COCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336694483 188183091 /nfs/dbraw/zinc/18/30/91/188183091.db2.gz LJAGFPBPFKSDSH-KGLIPLIRSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000070613549 353260421 /nfs/dbraw/zinc/26/04/21/353260421.db2.gz JYSATIXALATYNK-CYBMUJFWSA-N 2 1 224.392 2.498 20 0 BEADMP CC[C@@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000070613872 353260623 /nfs/dbraw/zinc/26/06/23/353260623.db2.gz VCLMMGRARILWOS-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1)c1ccccc1 ZINC000251791575 353288184 /nfs/dbraw/zinc/28/81/84/353288184.db2.gz NLMVPNGWBMQFEC-UMVBOHGHSA-N 2 1 232.371 2.459 20 0 BEADMP CC(C)C[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336268404 188228245 /nfs/dbraw/zinc/22/82/45/188228245.db2.gz IAVNRIPBFNAGDD-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)C[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336268404 188228246 /nfs/dbraw/zinc/22/82/46/188228246.db2.gz IAVNRIPBFNAGDD-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)(C)[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000252876160 353313210 /nfs/dbraw/zinc/31/32/10/353313210.db2.gz WCENZTRHPDZKQW-STQMWFEESA-N 2 1 224.392 2.354 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCSC2)[C@H](C)C1 ZINC000122540205 324051364 /nfs/dbraw/zinc/05/13/64/324051364.db2.gz WNFLRZDMGZDMGC-UPJWGTAASA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000192390360 353549352 /nfs/dbraw/zinc/54/93/52/353549352.db2.gz RYBJEQJLVARLBC-YPMHNXCESA-N 2 1 224.392 2.495 20 0 BEADMP Fc1cccc2c1CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000336433615 181005404 /nfs/dbraw/zinc/00/54/04/181005404.db2.gz DSZZRPKCYKLMIP-UHFFFAOYSA-N 2 1 248.345 2.183 20 0 BEADMP CC(C)[C@@H]1CC[N@@H+](CCCn2ccnc2)C1 ZINC000343324788 353707413 /nfs/dbraw/zinc/70/74/13/353707413.db2.gz XRCDXRAIRWNYML-CYBMUJFWSA-N 2 1 221.348 2.251 20 0 BEADMP CC[C@H](C)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000343437971 353886967 /nfs/dbraw/zinc/88/69/67/353886967.db2.gz BJGDXJGFQCZVHY-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@H](C)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000343437971 353886970 /nfs/dbraw/zinc/88/69/70/353886970.db2.gz BJGDXJGFQCZVHY-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@H](C)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000343437971 353886971 /nfs/dbraw/zinc/88/69/71/353886971.db2.gz BJGDXJGFQCZVHY-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@H](C)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000343437971 353886974 /nfs/dbraw/zinc/88/69/74/353886974.db2.gz BJGDXJGFQCZVHY-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)C[NH+](C)CCOCC[N@H+](C)CC(C)C ZINC000343626930 353948128 /nfs/dbraw/zinc/94/81/28/353948128.db2.gz QHYBLOKWZIGURU-UHFFFAOYSA-N 2 1 244.423 2.179 20 0 BEADMP C[C@@H]1CC[C@H](C[NH2+]C2CC[NH+](C)CC2)C1 ZINC000230412780 363310082 /nfs/dbraw/zinc/31/00/82/363310082.db2.gz LSBVDMYJUCEHTF-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CC[N@@H+](CCc2cncn2C)CC1(C)C ZINC000334562186 354117479 /nfs/dbraw/zinc/11/74/79/354117479.db2.gz JTFDKXUDVKLGES-GFCCVEGCSA-N 2 1 235.375 2.331 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)CC(C)(C)OC)CC1 ZINC000038098030 358484410 /nfs/dbraw/zinc/48/44/10/358484410.db2.gz IFKVFQNUCGEUCP-GFCCVEGCSA-N 2 1 242.407 2.264 20 0 BEADMP c1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC000252476225 363333234 /nfs/dbraw/zinc/33/32/34/363333234.db2.gz MAIRFDXCHHKPFG-LSDHHAIUSA-N 2 1 230.355 2.261 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)[C@@H](C)C1 ZINC000449742830 202018159 /nfs/dbraw/zinc/01/81/59/202018159.db2.gz RMVGRGVCRSRSRX-CYUUQNCZSA-N 2 1 236.403 2.352 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H](CC(C)C)OC ZINC000639175270 354194116 /nfs/dbraw/zinc/19/41/16/354194116.db2.gz KDZGVXZETPVWKV-CQSZACIVSA-N 2 1 244.423 2.321 20 0 BEADMP CCCC[C@@H](COC)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344281012 354200545 /nfs/dbraw/zinc/20/05/45/354200545.db2.gz ABKJBSMKRUYMPN-AWEZNQCLSA-N 2 1 240.391 2.043 20 0 BEADMP Cn1cncc1CC[N@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000334586026 354209928 /nfs/dbraw/zinc/20/99/28/354209928.db2.gz UJSJJAUDPSXVFH-KBPBESRZSA-N 2 1 247.386 2.473 20 0 BEADMP CCC[C@H](C[N@@H+](CC)CCC[NH+](C)C)OC ZINC000639175922 354210488 /nfs/dbraw/zinc/21/04/88/354210488.db2.gz RMTHBDRQEODSHV-CYBMUJFWSA-N 2 1 230.396 2.075 20 0 BEADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CCC1(F)F ZINC000334685096 354430781 /nfs/dbraw/zinc/43/07/81/354430781.db2.gz VNEDBJLLOZSNGF-VXGBXAGGSA-N 2 1 246.345 2.448 20 0 BEADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CCC1(F)F ZINC000334685096 354430784 /nfs/dbraw/zinc/43/07/84/354430784.db2.gz VNEDBJLLOZSNGF-VXGBXAGGSA-N 2 1 246.345 2.448 20 0 BEADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CCC1(F)F ZINC000334685096 354430786 /nfs/dbraw/zinc/43/07/86/354430786.db2.gz VNEDBJLLOZSNGF-VXGBXAGGSA-N 2 1 246.345 2.448 20 0 BEADMP CSC1(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000335134059 354782206 /nfs/dbraw/zinc/78/22/06/354782206.db2.gz FMNCXDOJBFFWSL-NEPJUHHUSA-N 2 1 240.416 2.051 20 0 BEADMP CSC1(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000335134059 354782207 /nfs/dbraw/zinc/78/22/07/354782207.db2.gz FMNCXDOJBFFWSL-NEPJUHHUSA-N 2 1 240.416 2.051 20 0 BEADMP CSC1(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000335134059 354782210 /nfs/dbraw/zinc/78/22/10/354782210.db2.gz FMNCXDOJBFFWSL-NEPJUHHUSA-N 2 1 240.416 2.051 20 0 BEADMP CC1CC([NH2+]C[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000232830881 363384422 /nfs/dbraw/zinc/38/44/22/363384422.db2.gz VWAURMKFFHCSKW-MCIGGMRASA-N 2 1 210.365 2.153 20 0 BEADMP CCC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000233076819 363392528 /nfs/dbraw/zinc/39/25/28/363392528.db2.gz GPNZLNQFZJBTSS-NWDGAFQWSA-N 2 1 210.365 2.249 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(O)cc1 ZINC000613266719 354867386 /nfs/dbraw/zinc/86/73/86/354867386.db2.gz ZNUABQLRIRJKTB-UHFFFAOYSA-N 2 1 245.326 2.077 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCc2ccccc21 ZINC000235463548 363445645 /nfs/dbraw/zinc/44/56/45/363445645.db2.gz PODUNBIYBAMVSX-MFKMUULPSA-N 2 1 204.317 2.001 20 0 BEADMP C[C@H]1C[C@H]1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000335204528 355039676 /nfs/dbraw/zinc/03/96/76/355039676.db2.gz NZPLRDGYJWCREB-STQMWFEESA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC000530223586 324542887 /nfs/dbraw/zinc/54/28/87/324542887.db2.gz KQZIMEQPCBKFLN-MDZLAQPJSA-N 2 1 224.392 2.399 20 0 BEADMP CCc1ncc(C[N@H+](C)CC(C)(C)C[NH3+])s1 ZINC000346673121 355008041 /nfs/dbraw/zinc/00/80/41/355008041.db2.gz HYDSYSMXNKOTTR-UHFFFAOYSA-N 2 1 241.404 2.122 20 0 BEADMP CCc1ncc(C[N@@H+](C)CC(C)(C)C[NH3+])s1 ZINC000346673121 355008046 /nfs/dbraw/zinc/00/80/46/355008046.db2.gz HYDSYSMXNKOTTR-UHFFFAOYSA-N 2 1 241.404 2.122 20 0 BEADMP CC(C[NH+]1CC[C@H](C)C1)C[N@H+]1CC[C@H](C)C1 ZINC000346638028 355015634 /nfs/dbraw/zinc/01/56/34/355015634.db2.gz GKFVRKBZCKOGFZ-STQMWFEESA-N 2 1 224.392 2.306 20 0 BEADMP CC[C@H](C[N@@H+]1CC[C@H](N)C1)c1ccccc1 ZINC000346690665 355075329 /nfs/dbraw/zinc/07/53/29/355075329.db2.gz URQNGHPBTVFSIZ-OCCSQVGLSA-N 2 1 218.344 2.213 20 0 BEADMP CC[C@H](C[N@H+]1CC[C@H](N)C1)c1ccccc1 ZINC000346690665 355075333 /nfs/dbraw/zinc/07/53/33/355075333.db2.gz URQNGHPBTVFSIZ-OCCSQVGLSA-N 2 1 218.344 2.213 20 0 BEADMP CC[C@H](C[N@@H+]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000346690665 355075334 /nfs/dbraw/zinc/07/53/34/355075334.db2.gz URQNGHPBTVFSIZ-OCCSQVGLSA-N 2 1 218.344 2.213 20 0 BEADMP CC[C@H](C[N@H+]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000346690665 355075338 /nfs/dbraw/zinc/07/53/38/355075338.db2.gz URQNGHPBTVFSIZ-OCCSQVGLSA-N 2 1 218.344 2.213 20 0 BEADMP FC(F)C1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000335182028 355079414 /nfs/dbraw/zinc/07/94/14/355079414.db2.gz QMOQQCNEGWGGFY-VQXHTEKXSA-N 2 1 232.318 2.152 20 0 BEADMP CC[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000335227119 355068372 /nfs/dbraw/zinc/06/83/72/355068372.db2.gz ZQQOGEUQVOLTEW-LBPRGKRZSA-N 2 1 233.359 2.337 20 0 BEADMP CC[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000335227119 355068373 /nfs/dbraw/zinc/06/83/73/355068373.db2.gz ZQQOGEUQVOLTEW-LBPRGKRZSA-N 2 1 233.359 2.337 20 0 BEADMP CCC[N@H+](C[C@H]1CCCCO1)CC(C)(C)[NH3+] ZINC000346844122 355134235 /nfs/dbraw/zinc/13/42/35/355134235.db2.gz KWICOHMLBRHDRW-GFCCVEGCSA-N 2 1 228.380 2.005 20 0 BEADMP CCC[N@@H+](C[C@H]1CCCCO1)CC(C)(C)[NH3+] ZINC000346844122 355134238 /nfs/dbraw/zinc/13/42/38/355134238.db2.gz KWICOHMLBRHDRW-GFCCVEGCSA-N 2 1 228.380 2.005 20 0 BEADMP CCCO[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])CC1 ZINC000346842736 355134372 /nfs/dbraw/zinc/13/43/72/355134372.db2.gz IKYBMDNGJAWNCM-GFCCVEGCSA-N 2 1 228.380 2.005 20 0 BEADMP CC(C)([NH3+])C[NH+]1CCC(OC2CCCC2)CC1 ZINC000346846876 355136691 /nfs/dbraw/zinc/13/66/91/355136691.db2.gz COEIBPKZOWCFDS-UHFFFAOYSA-N 2 1 240.391 2.147 20 0 BEADMP C[C@@H]1C[C@H](C)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000346989547 355189336 /nfs/dbraw/zinc/18/93/36/355189336.db2.gz RTLYOWSUIVNMQK-CHWSQXEVSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@H]2CCCC[C@@H]12 ZINC000347000578 355198087 /nfs/dbraw/zinc/19/80/87/355198087.db2.gz GMIODMFGYKLEMG-SNPRPXQTSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H]2CCCC[C@H]21 ZINC000347008687 355202942 /nfs/dbraw/zinc/20/29/42/355202942.db2.gz RVOZTYNRKJMBFL-APIJFGDWSA-N 2 1 236.403 2.497 20 0 BEADMP CC1(C)CCC[N@@H+]1CC[NH2+]CCC[C@H]1CCO1 ZINC000639241837 355228278 /nfs/dbraw/zinc/22/82/78/355228278.db2.gz JLZFLSZMTABOLB-ZDUSSCGKSA-N 2 1 240.391 2.020 20 0 BEADMP CC1(C)CCC[N@H+]1CC[NH2+]CCC[C@H]1CCO1 ZINC000639241837 355228280 /nfs/dbraw/zinc/22/82/80/355228280.db2.gz JLZFLSZMTABOLB-ZDUSSCGKSA-N 2 1 240.391 2.020 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000113512207 355248498 /nfs/dbraw/zinc/24/84/98/355248498.db2.gz XJTJOTUTOHMARC-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP CC[C@H](C[N@H+]1CC[C@H](C[NH+](CC)CC)C1)OC ZINC000412975997 191345869 /nfs/dbraw/zinc/34/58/69/191345869.db2.gz HGJZYKGIVSIXKD-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP CC[C@H](C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1)OC ZINC000412975995 191346036 /nfs/dbraw/zinc/34/60/36/191346036.db2.gz HGJZYKGIVSIXKD-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP [NH3+]CCC[N@H+]1CCSC2(CCCCC2)C1 ZINC000335280726 355245078 /nfs/dbraw/zinc/24/50/78/355245078.db2.gz XADDEIPMYSXOAQ-UHFFFAOYSA-N 2 1 228.405 2.087 20 0 BEADMP Fc1ccc2oc(C[NH2+]C3CC[NH2+]CC3)cc2c1 ZINC000335280813 355245237 /nfs/dbraw/zinc/24/52/37/355245237.db2.gz ZGXVURKOASRRFI-UHFFFAOYSA-N 2 1 248.301 2.414 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000113511972 355247753 /nfs/dbraw/zinc/24/77/53/355247753.db2.gz IZBBBJXBUZTRNQ-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@H]1C[C@H]([NH+](C)CCCCF)CC[N@H+]1C ZINC000352015363 134036058 /nfs/dbraw/zinc/03/60/58/134036058.db2.gz PXRCXDWTAZDZSS-NWDGAFQWSA-N 2 1 216.344 2.151 20 0 BEADMP C[C@H]1C[C@H]([N@H+](C)CCCCF)CC[NH+]1C ZINC000352015363 134036059 /nfs/dbraw/zinc/03/60/59/134036059.db2.gz PXRCXDWTAZDZSS-NWDGAFQWSA-N 2 1 216.344 2.151 20 0 BEADMP C[C@H]1C[C@H]([N@@H+](C)CCCCF)CC[NH+]1C ZINC000352015363 134036060 /nfs/dbraw/zinc/03/60/60/134036060.db2.gz PXRCXDWTAZDZSS-NWDGAFQWSA-N 2 1 216.344 2.151 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)c(C)n1 ZINC000335287594 355256581 /nfs/dbraw/zinc/25/65/81/355256581.db2.gz KNXBXIYFJQRWMY-AWEZNQCLSA-N 2 1 247.386 2.176 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CS1 ZINC000639256767 355300220 /nfs/dbraw/zinc/30/02/20/355300220.db2.gz FQTDWRMVEBMJDF-FRRDWIJNSA-N 2 1 242.432 2.202 20 0 BEADMP CC(C)C[N@@H+](C)CCCNCc1ccns1 ZINC000639290135 355446993 /nfs/dbraw/zinc/44/69/93/355446993.db2.gz QWRHDTHRYNNNPH-UHFFFAOYSA-N 2 1 241.404 2.211 20 0 BEADMP C[C@@H]1CCC[C@H](C[NH2+][C@H](C[NH3+])C2CC2)C1 ZINC000414812871 191579326 /nfs/dbraw/zinc/57/93/26/191579326.db2.gz PVPLFOZHAYFZQK-NTZNESFSSA-N 2 1 210.365 2.140 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000414887003 191616161 /nfs/dbraw/zinc/61/61/61/191616161.db2.gz WHWQDARSYVRFNF-UKRRQHHQSA-N 2 1 247.386 2.340 20 0 BEADMP CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414892309 191617290 /nfs/dbraw/zinc/61/72/90/191617290.db2.gz XZSSXLIDONXXAI-LSDHHAIUSA-N 2 1 232.371 2.349 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000414936187 191626905 /nfs/dbraw/zinc/62/69/05/191626905.db2.gz BSKIVZFFNOAIPO-AEGPPILISA-N 2 1 232.371 2.335 20 0 BEADMP c1c[nH]c([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)c1 ZINC000335855800 355600214 /nfs/dbraw/zinc/60/02/14/355600214.db2.gz WJSVDCYSLVNGSV-AWEZNQCLSA-N 2 1 233.359 2.151 20 0 BEADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3C=CCCC3)C2)C1 ZINC000335887759 355679553 /nfs/dbraw/zinc/67/95/53/355679553.db2.gz CFBLXFVFIGLAGK-KBPBESRZSA-N 2 1 220.360 2.123 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3C=CCCC3)C2)C1 ZINC000335887759 355679555 /nfs/dbraw/zinc/67/95/55/355679555.db2.gz CFBLXFVFIGLAGK-KBPBESRZSA-N 2 1 220.360 2.123 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3C=CCCC3)C2)C1 ZINC000335887759 355679558 /nfs/dbraw/zinc/67/95/58/355679558.db2.gz CFBLXFVFIGLAGK-KBPBESRZSA-N 2 1 220.360 2.123 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@H]1CC1(F)F ZINC000639347484 355794181 /nfs/dbraw/zinc/79/41/81/355794181.db2.gz ODVUMYZZZGKQRS-SDDRHHMPSA-N 2 1 246.345 2.352 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@H]1CC1(F)F ZINC000639347483 355794205 /nfs/dbraw/zinc/79/42/05/355794205.db2.gz ODVUMYZZZGKQRS-QJPTWQEYSA-N 2 1 246.345 2.352 20 0 BEADMP CCC[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)OC ZINC000639347803 355794676 /nfs/dbraw/zinc/79/46/76/355794676.db2.gz QYOUJVSKGRARKJ-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP CC[C@]1(C)CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000399376574 355867779 /nfs/dbraw/zinc/86/77/79/355867779.db2.gz OBCPRJFPTMFAMU-QWHCGFSZSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000166718078 355830351 /nfs/dbraw/zinc/83/03/51/355830351.db2.gz DYOKXNYRPWMRNI-AGIUHOORSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C/C=C/c1ccccc1 ZINC000216193728 355925404 /nfs/dbraw/zinc/92/54/04/355925404.db2.gz FLAIQOKFGJKICM-JGOVJGDKSA-N 2 1 230.355 2.369 20 0 BEADMP C[C@@H]1C[C@@H]([NH+](C)CC2(C)CC2)CC[N@@H+]1C ZINC000582217390 355937761 /nfs/dbraw/zinc/93/77/61/355937761.db2.gz WTOBODGJVIAACU-NEPJUHHUSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@@H]([NH+](C)CC2(C)CC2)CC[N@H+]1C ZINC000582217390 355937766 /nfs/dbraw/zinc/93/77/66/355937766.db2.gz WTOBODGJVIAACU-NEPJUHHUSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+](C)CC2(C)CC2)CC[NH+]1C ZINC000582217390 355937769 /nfs/dbraw/zinc/93/77/69/355937769.db2.gz WTOBODGJVIAACU-NEPJUHHUSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2(C)CC2)CC[NH+]1C ZINC000582217390 355937773 /nfs/dbraw/zinc/93/77/73/355937773.db2.gz WTOBODGJVIAACU-NEPJUHHUSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]1C[C@H]([NH+](C)CC2(C)CC2)CC[N@@H+]1C ZINC000582217391 355938066 /nfs/dbraw/zinc/93/80/66/355938066.db2.gz WTOBODGJVIAACU-NWDGAFQWSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]1C[C@H]([NH+](C)CC2(C)CC2)CC[N@H+]1C ZINC000582217391 355938070 /nfs/dbraw/zinc/93/80/70/355938070.db2.gz WTOBODGJVIAACU-NWDGAFQWSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]1C[C@H]([N@H+](C)CC2(C)CC2)CC[NH+]1C ZINC000582217391 355938075 /nfs/dbraw/zinc/93/80/75/355938075.db2.gz WTOBODGJVIAACU-NWDGAFQWSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]1C[C@H]([N@@H+](C)CC2(C)CC2)CC[NH+]1C ZINC000582217391 355938079 /nfs/dbraw/zinc/93/80/79/355938079.db2.gz WTOBODGJVIAACU-NWDGAFQWSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC000351439997 355992118 /nfs/dbraw/zinc/99/21/18/355992118.db2.gz ZXBXCPQIAUTYLW-MGPQQGTHSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]([NH3+])C1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000420303992 192207395 /nfs/dbraw/zinc/20/73/95/192207395.db2.gz XSGIEWJMJOPLJA-SNVBAGLBSA-N 2 1 249.358 2.111 20 0 BEADMP CSc1ccccc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000420298774 192205214 /nfs/dbraw/zinc/20/52/14/192205214.db2.gz SQIGIBOHHQRACH-NSHDSACASA-N 2 1 236.384 2.189 20 0 BEADMP CCSCC[C@H](C)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420298866 192205454 /nfs/dbraw/zinc/20/54/54/192205454.db2.gz IDIZKAKTRIBOOS-QWHCGFSZSA-N 2 1 244.448 2.450 20 0 BEADMP CC[N@@H+](CC[C@@H]1CCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000420300990 192207016 /nfs/dbraw/zinc/20/70/16/192207016.db2.gz ABEHWVCBGQZIDF-KGLIPLIRSA-N 2 1 240.391 2.020 20 0 BEADMP CC(C)[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000420301730 192207059 /nfs/dbraw/zinc/20/70/59/192207059.db2.gz IXLRBYULZNJEGU-LBPRGKRZSA-N 2 1 210.365 2.249 20 0 BEADMP CCc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000420314912 192213307 /nfs/dbraw/zinc/21/33/07/192213307.db2.gz LRGRCELNJNUTQJ-HOTGVXAUSA-N 2 1 244.382 2.290 20 0 BEADMP CC(C)[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCS1 ZINC000420314105 192213418 /nfs/dbraw/zinc/21/34/18/192213418.db2.gz YSVUWFCXCCTVGV-STQMWFEESA-N 2 1 242.432 2.059 20 0 BEADMP COc1ccccc1CCC[N@@H+](C)C1CC([NH3+])C1 ZINC000420344001 192215883 /nfs/dbraw/zinc/21/58/83/192215883.db2.gz XOSHHWWZXDXRPN-UHFFFAOYSA-N 2 1 248.370 2.049 20 0 BEADMP Cc1ccccc1CCC[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420348780 192217134 /nfs/dbraw/zinc/21/71/34/192217134.db2.gz AXSHJJRSIFPOOQ-ZFWWWQNUSA-N 2 1 232.371 2.349 20 0 BEADMP Cc1ccccc1CCC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420348780 192217136 /nfs/dbraw/zinc/21/71/36/192217136.db2.gz AXSHJJRSIFPOOQ-ZFWWWQNUSA-N 2 1 232.371 2.349 20 0 BEADMP FCCCCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420353209 192217704 /nfs/dbraw/zinc/21/77/04/192217704.db2.gz AWIPWJCWBVNYKN-CYBMUJFWSA-N 2 1 228.355 2.202 20 0 BEADMP Cc1cnc([C@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)o1 ZINC000420305472 192209259 /nfs/dbraw/zinc/20/92/59/192209259.db2.gz GKKKDZFDJFZYOU-RYUDHWBXSA-N 2 1 237.347 2.105 20 0 BEADMP [NH3+]CC[C@H]1CCC[N@@H+](CCCc2ccncc2)C1 ZINC000420305078 192209584 /nfs/dbraw/zinc/20/95/84/192209584.db2.gz FVSLCVWQSHQTTB-OAHLLOKOSA-N 2 1 247.386 2.075 20 0 BEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2C)cc1 ZINC000420306610 192209695 /nfs/dbraw/zinc/20/96/95/192209695.db2.gz QNBBTOONRRNWPM-GXTWGEPZSA-N 2 1 248.370 2.222 20 0 BEADMP CCc1cccc(C[N@H+](C)[C@@H](C[NH3+])C2CC2)c1 ZINC000420316343 192212495 /nfs/dbraw/zinc/21/24/95/192212495.db2.gz NLAUGWAPIWSIMZ-HNNXBMFYSA-N 2 1 232.371 2.418 20 0 BEADMP CCc1cccc(C[N@@H+](C)[C@@H](C[NH3+])C2CC2)c1 ZINC000420316343 192212496 /nfs/dbraw/zinc/21/24/96/192212496.db2.gz NLAUGWAPIWSIMZ-HNNXBMFYSA-N 2 1 232.371 2.418 20 0 BEADMP CC(C)[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCS1 ZINC000420314104 192212900 /nfs/dbraw/zinc/21/29/00/192212900.db2.gz YSVUWFCXCCTVGV-QWHCGFSZSA-N 2 1 242.432 2.059 20 0 BEADMP CCOc1ccccc1[C@H](C)[NH2+]CCC[NH2+]C ZINC000420371648 192228979 /nfs/dbraw/zinc/22/89/79/192228979.db2.gz KUBIKWIKKNHHIK-LBPRGKRZSA-N 2 1 236.359 2.345 20 0 BEADMP C[N@@H+](CCCc1ccsc1)C1CC([NH3+])C1 ZINC000420325364 192229134 /nfs/dbraw/zinc/22/91/34/192229134.db2.gz DBFSRKASAXHFEX-UHFFFAOYSA-N 2 1 224.373 2.102 20 0 BEADMP CCc1cccc(OCC[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000420324755 192229415 /nfs/dbraw/zinc/22/94/15/192229415.db2.gz CKTDNQRHTHCBEE-UHFFFAOYSA-N 2 1 248.370 2.049 20 0 BEADMP c1cncc([C@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420354792 192219396 /nfs/dbraw/zinc/21/93/96/192219396.db2.gz DKELWUYPNHISHL-DZGCQCFKSA-N 2 1 245.370 2.218 20 0 BEADMP CN(CC[NH2+][C@@H](C[NH3+])C(C)(C)C)c1ccccc1 ZINC000420357834 192220894 /nfs/dbraw/zinc/22/08/94/192220894.db2.gz HWBGHOBEYQMKIZ-AWEZNQCLSA-N 2 1 249.402 2.086 20 0 BEADMP CC(C)CCOCC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420368123 192225132 /nfs/dbraw/zinc/22/51/32/192225132.db2.gz UCSUDZQZQJZICQ-GFCCVEGCSA-N 2 1 230.396 2.012 20 0 BEADMP CC(C)CCOCC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420368125 192225706 /nfs/dbraw/zinc/22/57/06/192225706.db2.gz UCSUDZQZQJZICQ-LBPRGKRZSA-N 2 1 230.396 2.012 20 0 BEADMP C[NH2+]CCC[N@H+](C)CCO[C@@H]1CCCC[C@H]1C ZINC000420392567 192236683 /nfs/dbraw/zinc/23/66/83/192236683.db2.gz VLMNTWPRQDWADX-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP C[NH2+]CCC[N@@H+](C)CCO[C@@H]1CCCC[C@H]1C ZINC000420392567 192236684 /nfs/dbraw/zinc/23/66/84/192236684.db2.gz VLMNTWPRQDWADX-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP C[NH2+]CCC[N@H+](C)CCO[C@H]1CCCC[C@H]1C ZINC000420392565 192236815 /nfs/dbraw/zinc/23/68/15/192236815.db2.gz VLMNTWPRQDWADX-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP C[NH2+]CCC[N@@H+](C)CCO[C@H]1CCCC[C@H]1C ZINC000420392565 192236817 /nfs/dbraw/zinc/23/68/17/192236817.db2.gz VLMNTWPRQDWADX-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP CCSCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420396048 192237180 /nfs/dbraw/zinc/23/71/80/192237180.db2.gz LMJMOSBNDFBCIT-STQMWFEESA-N 2 1 242.432 2.204 20 0 BEADMP C[NH2+]CCC[N@H+](C)CCO[C@H]1CCCC[C@@H]1C ZINC000420392564 192237369 /nfs/dbraw/zinc/23/73/69/192237369.db2.gz VLMNTWPRQDWADX-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP C[NH2+]CCC[N@@H+](C)CCO[C@H]1CCCC[C@@H]1C ZINC000420392564 192237371 /nfs/dbraw/zinc/23/73/71/192237371.db2.gz VLMNTWPRQDWADX-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])cc1F ZINC000420415726 192241383 /nfs/dbraw/zinc/24/13/83/192241383.db2.gz VDEJXEXJHUWWKI-VHSXEESVSA-N 2 1 210.296 2.132 20 0 BEADMP C[C@@H]1CCCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000420376323 192232407 /nfs/dbraw/zinc/23/24/07/192232407.db2.gz QKWCKFSRVMRTLO-CYBMUJFWSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(OC(F)F)cc1 ZINC000420381002 192233566 /nfs/dbraw/zinc/23/35/66/192233566.db2.gz XFFGTOQRUBJVPC-DTWKUNHWSA-N 2 1 244.285 2.286 20 0 BEADMP CO[C@@H](C)C[N@@H+](C)Cc1c(C)cc(C)nc1C ZINC000639644339 356557255 /nfs/dbraw/zinc/55/72/55/356557255.db2.gz PYFSAWYOSSYTOG-LBPRGKRZSA-N 2 1 236.359 2.474 20 0 BEADMP CC(C)C1(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422918554 192506621 /nfs/dbraw/zinc/50/66/21/192506621.db2.gz HNLQOBKZHJEKOU-VXGBXAGGSA-N 2 1 210.365 2.010 20 0 BEADMP CCc1cc(NCC[N@H+](CC)C(C)C)cc[nH+]1 ZINC000450302295 202123662 /nfs/dbraw/zinc/12/36/62/202123662.db2.gz HIYMYCYWXXHFNI-UHFFFAOYSA-N 2 1 235.375 2.208 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000381390368 356691027 /nfs/dbraw/zinc/69/10/27/356691027.db2.gz NYXUNEYPERYAFS-BFHYXJOUSA-N 2 1 224.392 2.495 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000450408143 202156246 /nfs/dbraw/zinc/15/62/46/202156246.db2.gz VFBVJJBRAKYHHP-RYUDHWBXSA-N 2 1 246.345 2.305 20 0 BEADMP C[N@H+]1CCC[C@H]1CCN1CCC[C@H]1c1cn[nH]c1 ZINC000639779056 356725775 /nfs/dbraw/zinc/72/57/75/356725775.db2.gz WYRWRDBXFUZIOY-KBPBESRZSA-N 2 1 248.374 2.031 20 0 BEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1cn[nH]c1 ZINC000639779056 356725776 /nfs/dbraw/zinc/72/57/76/356725776.db2.gz WYRWRDBXFUZIOY-KBPBESRZSA-N 2 1 248.374 2.031 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1cn[nH]c1 ZINC000639779056 356725777 /nfs/dbraw/zinc/72/57/77/356725777.db2.gz WYRWRDBXFUZIOY-KBPBESRZSA-N 2 1 248.374 2.031 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639779056 356725778 /nfs/dbraw/zinc/72/57/78/356725778.db2.gz WYRWRDBXFUZIOY-KBPBESRZSA-N 2 1 248.374 2.031 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccco2)CC1(C)C ZINC000623338586 356734256 /nfs/dbraw/zinc/73/42/56/356734256.db2.gz HIAVSTBRMZSYSD-LBPRGKRZSA-N 2 1 236.359 2.285 20 0 BEADMP CCc1cc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc[nH+]1 ZINC000450543014 202192727 /nfs/dbraw/zinc/19/27/27/202192727.db2.gz IXLUZJMVMJZHMV-TXEJJXNPSA-N 2 1 233.359 2.173 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)Cc2ccncc2)CC1 ZINC000360244705 356903903 /nfs/dbraw/zinc/90/39/03/356903903.db2.gz FOONGIMSINFONG-ZDUSSCGKSA-N 2 1 247.386 2.087 20 0 BEADMP CCCCOCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623383435 356907180 /nfs/dbraw/zinc/90/71/80/356907180.db2.gz UHLYAEYHBUCAFG-ZDUSSCGKSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@H]([NH2+]CC[NH3+])[C@@H](C)c1ccc(Cl)cc1 ZINC000423190175 192616990 /nfs/dbraw/zinc/61/69/90/192616990.db2.gz SBTXYYAFDGZOHH-ZJUUUORDSA-N 2 1 226.751 2.380 20 0 BEADMP CCC[C@H](C)C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000389575518 356993950 /nfs/dbraw/zinc/99/39/50/356993950.db2.gz CLWROHRWPYCJSZ-YNEHKIRRSA-N 2 1 212.381 2.339 20 0 BEADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cccnc1 ZINC000019942945 356994432 /nfs/dbraw/zinc/99/44/32/356994432.db2.gz GWEQWLYHEPJOJP-CYBMUJFWSA-N 2 1 235.375 2.464 20 0 BEADMP Cc1cccc([C@H](C)[NH2+]CC(C)(C)[NH3+])c1 ZINC000389747846 357022555 /nfs/dbraw/zinc/02/25/55/357022555.db2.gz YAWDZARAVJPXAA-NSHDSACASA-N 2 1 206.333 2.383 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C2(C3CC3)CC2)CC[N@@H+]1C ZINC000389602805 357001330 /nfs/dbraw/zinc/00/13/30/357001330.db2.gz VXKWGMFKRMREAG-CMPLNLGQSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C2(C3CC3)CC2)CC[N@H+]1C ZINC000389602805 357001332 /nfs/dbraw/zinc/00/13/32/357001332.db2.gz VXKWGMFKRMREAG-CMPLNLGQSA-N 2 1 208.349 2.001 20 0 BEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(O)c2)CC1(C)C ZINC000623394350 357009627 /nfs/dbraw/zinc/00/96/27/357009627.db2.gz BUBHTDLGQDGBHA-ZDUSSCGKSA-N 2 1 248.370 2.355 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(O)c2)CC1(C)C ZINC000623394350 357009629 /nfs/dbraw/zinc/00/96/29/357009629.db2.gz BUBHTDLGQDGBHA-ZDUSSCGKSA-N 2 1 248.370 2.355 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(F)c1 ZINC000423263166 192658118 /nfs/dbraw/zinc/65/81/18/192658118.db2.gz NZMISQMSSULPEC-MFKMUULPSA-N 2 1 224.323 2.460 20 0 BEADMP CCC(C)(C)[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000232825507 535355102 /nfs/dbraw/zinc/35/51/02/535355102.db2.gz NPAIHMJSYRRMLS-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)F)[C@@H](C)C1 ZINC000631659607 357190188 /nfs/dbraw/zinc/19/01/88/357190188.db2.gz RZNPZROMJYUSDJ-WDEREUQCSA-N 2 1 216.344 2.054 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)F)[C@@H](C)C1 ZINC000631659607 357190189 /nfs/dbraw/zinc/19/01/89/357190189.db2.gz RZNPZROMJYUSDJ-WDEREUQCSA-N 2 1 216.344 2.054 20 0 BEADMP C1[C@@H]2[C@H]1CCC[C@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000393406650 357308128 /nfs/dbraw/zinc/30/81/28/357308128.db2.gz VRZFRUNDYHTOSD-QRTUWBSPSA-N 2 1 234.387 2.391 20 0 BEADMP C1[C@@H]2[C@H]1CCC[C@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000393406650 357308131 /nfs/dbraw/zinc/30/81/31/357308131.db2.gz VRZFRUNDYHTOSD-QRTUWBSPSA-N 2 1 234.387 2.391 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000356849534 538819747 /nfs/dbraw/zinc/81/97/47/538819747.db2.gz PSLANNGPNUUWMM-MELADBBJSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(OC)c1 ZINC000423284555 192677404 /nfs/dbraw/zinc/67/74/04/192677404.db2.gz WWHHICJMZFGKEQ-LSDHHAIUSA-N 2 1 248.370 2.473 20 0 BEADMP Cc1cc(C[NH2+][C@H](C)[C@H](C)[NH3+])c(C)s1 ZINC000582952022 357443863 /nfs/dbraw/zinc/44/38/63/357443863.db2.gz BPWDKRUKRKFMDT-DTWKUNHWSA-N 2 1 212.362 2.190 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000583054022 357462717 /nfs/dbraw/zinc/46/27/17/357462717.db2.gz DQSDHUIOTFLKBZ-RDBSUJKOSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000583054022 357462720 /nfs/dbraw/zinc/46/27/20/357462720.db2.gz DQSDHUIOTFLKBZ-RDBSUJKOSA-N 2 1 242.407 2.121 20 0 BEADMP C[N@H+]1CCC[C@@H]1CCSCC1CC[NH2+]CC1 ZINC000583082307 357474072 /nfs/dbraw/zinc/47/40/72/357474072.db2.gz PXJVUMSSXIYABA-CYBMUJFWSA-N 2 1 242.432 2.204 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC(F)(F)F ZINC000063099442 357526064 /nfs/dbraw/zinc/52/60/64/357526064.db2.gz SFDKIKCLOXLEAA-BBBLOLIVSA-N 2 1 238.297 2.257 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000084517994 491113496 /nfs/dbraw/zinc/11/34/96/491113496.db2.gz DKAIZHSQHYUKNW-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP COCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192780459 357851546 /nfs/dbraw/zinc/85/15/46/357851546.db2.gz HUQCESGCAPMENF-AGUYFDCRSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1cccc(OCC[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000218482446 357925596 /nfs/dbraw/zinc/92/55/96/357925596.db2.gz NECPUYJBHXJNAD-ZIAGYGMSSA-N 2 1 248.370 2.185 20 0 BEADMP C[NH2+]CCSC[C@H]1CCCC[N@H+]1C(C)C ZINC000583810409 357955728 /nfs/dbraw/zinc/95/57/28/357955728.db2.gz NIFKGSMZUHAJTJ-GFCCVEGCSA-N 2 1 230.421 2.202 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC2CC2)C1 ZINC000229692398 491119227 /nfs/dbraw/zinc/11/92/27/491119227.db2.gz HRPADKIECJKYNH-GXTWGEPZSA-N 2 1 224.392 2.495 20 0 BEADMP CCc1ccccc1C[N@@H+]1CCC[C@H]1CN ZINC000168797669 134247652 /nfs/dbraw/zinc/24/76/52/134247652.db2.gz XCQYPHRGPNHRHN-AWEZNQCLSA-N 2 1 218.344 2.172 20 0 BEADMP CCc1ccccc1C[N@H+]1CCC[C@H]1CN ZINC000168797669 134247653 /nfs/dbraw/zinc/24/76/53/134247653.db2.gz XCQYPHRGPNHRHN-AWEZNQCLSA-N 2 1 218.344 2.172 20 0 BEADMP CCc1ccccc1C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000168797669 134247654 /nfs/dbraw/zinc/24/76/54/134247654.db2.gz XCQYPHRGPNHRHN-AWEZNQCLSA-N 2 1 218.344 2.172 20 0 BEADMP CCc1ccccc1C[N@H+]1CCC[C@H]1C[NH3+] ZINC000168797669 134247655 /nfs/dbraw/zinc/24/76/55/134247655.db2.gz XCQYPHRGPNHRHN-AWEZNQCLSA-N 2 1 218.344 2.172 20 0 BEADMP CC(C)C[C@H]([NH3+])C[NH+]1CCc2ccccc2CC1 ZINC000079574276 358107155 /nfs/dbraw/zinc/10/71/55/358107155.db2.gz AKCKUIDBIWHJGJ-INIZCTEOSA-N 2 1 246.398 2.461 20 0 BEADMP Cn1c[nH+]cc1CCC[NH+]1CCC(C)(F)CC1 ZINC000640074671 358172725 /nfs/dbraw/zinc/17/27/25/358172725.db2.gz WSQMECARZWZARU-UHFFFAOYSA-N 2 1 239.338 2.177 20 0 BEADMP CSCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172434630 134265908 /nfs/dbraw/zinc/26/59/08/134265908.db2.gz LZXVLDIHPLIOHH-ZDUSSCGKSA-N 2 1 242.432 2.300 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C[C@H]1CCSC1 ZINC000564324972 325372597 /nfs/dbraw/zinc/37/25/97/325372597.db2.gz KDNPWEMBWBRNTP-UPJWGTAASA-N 2 1 242.432 2.012 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C[C@H]1CCSC1 ZINC000564324972 325372598 /nfs/dbraw/zinc/37/25/98/325372598.db2.gz KDNPWEMBWBRNTP-UPJWGTAASA-N 2 1 242.432 2.012 20 0 BEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C[C@H]1CCSC1 ZINC000564324972 325372601 /nfs/dbraw/zinc/37/26/01/325372601.db2.gz KDNPWEMBWBRNTP-UPJWGTAASA-N 2 1 242.432 2.012 20 0 BEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C[C@H]1CCSC1 ZINC000564324972 325372604 /nfs/dbraw/zinc/37/26/04/325372604.db2.gz KDNPWEMBWBRNTP-UPJWGTAASA-N 2 1 242.432 2.012 20 0 BEADMP CCC[C@@H](C)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000180230505 366397381 /nfs/dbraw/zinc/39/73/81/366397381.db2.gz BSTWGJPXWSPUKG-CHWSQXEVSA-N 2 1 212.381 2.306 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1F ZINC000228338458 358373966 /nfs/dbraw/zinc/37/39/66/358373966.db2.gz HWWKWLHRGQNCAG-YPMHNXCESA-N 2 1 236.334 2.446 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1F ZINC000228338458 358373970 /nfs/dbraw/zinc/37/39/70/358373970.db2.gz HWWKWLHRGQNCAG-YPMHNXCESA-N 2 1 236.334 2.446 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCCCOC)C1 ZINC000173924572 134276477 /nfs/dbraw/zinc/27/64/77/134276477.db2.gz WPDOTTRXRMDAHK-CQSZACIVSA-N 2 1 242.407 2.077 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCCCOC)C1 ZINC000173924572 134276478 /nfs/dbraw/zinc/27/64/78/134276478.db2.gz WPDOTTRXRMDAHK-CQSZACIVSA-N 2 1 242.407 2.077 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCCCOC)C1 ZINC000173924572 134276479 /nfs/dbraw/zinc/27/64/79/134276479.db2.gz WPDOTTRXRMDAHK-CQSZACIVSA-N 2 1 242.407 2.077 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccnc1 ZINC000044535030 358389605 /nfs/dbraw/zinc/38/96/05/358389605.db2.gz FRWGJXCXPRXFEP-STQMWFEESA-N 2 1 233.359 2.074 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccnc1 ZINC000044535030 358389610 /nfs/dbraw/zinc/38/96/10/358389610.db2.gz FRWGJXCXPRXFEP-STQMWFEESA-N 2 1 233.359 2.074 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(O)c1 ZINC000044534562 358389709 /nfs/dbraw/zinc/38/97/09/358389709.db2.gz ZXDUYUYVSOILOH-QWHCGFSZSA-N 2 1 248.370 2.385 20 0 BEADMP C[C@@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@@H]1C ZINC000173989117 134277413 /nfs/dbraw/zinc/27/74/13/134277413.db2.gz FVXDOWTUIMMQKR-BETUJISGSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@@H]1CCC[N@H+]1CCC[NH+]1CCC[C@@H]1C ZINC000173989117 134277414 /nfs/dbraw/zinc/27/74/14/134277414.db2.gz FVXDOWTUIMMQKR-BETUJISGSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@@H]1CCC[N@@H+]1CCC[NH+]1CCC[C@@H]1C ZINC000173989117 134277415 /nfs/dbraw/zinc/27/74/15/134277415.db2.gz FVXDOWTUIMMQKR-BETUJISGSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@H]1SCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000220553811 491133325 /nfs/dbraw/zinc/13/33/25/491133325.db2.gz BFIPACPCNZCUEE-ZWNOBZJWSA-N 2 1 240.416 2.097 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000049330052 358682265 /nfs/dbraw/zinc/68/22/65/358682265.db2.gz JBJZZWPAJRMDMI-WCQYABFASA-N 2 1 221.348 2.360 20 0 BEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCOc1ccccc1 ZINC000131597180 358684653 /nfs/dbraw/zinc/68/46/53/358684653.db2.gz OOXZVUSMUMBUDU-ZIAGYGMSSA-N 2 1 248.370 2.125 20 0 BEADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccncc1 ZINC000049553108 358694061 /nfs/dbraw/zinc/69/40/61/358694061.db2.gz RAQMKHJUQLAECH-VXGBXAGGSA-N 2 1 221.348 2.072 20 0 BEADMP Cc1ccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)nc1 ZINC000133408834 358754248 /nfs/dbraw/zinc/75/42/48/358754248.db2.gz CKHZAGPLHBKHNC-CQSZACIVSA-N 2 1 235.375 2.195 20 0 BEADMP Cc1ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)nc1 ZINC000133408834 358754251 /nfs/dbraw/zinc/75/42/51/358754251.db2.gz CKHZAGPLHBKHNC-CQSZACIVSA-N 2 1 235.375 2.195 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CCCC(F)(F)F)CC[N@H+]1C ZINC000132334470 358719081 /nfs/dbraw/zinc/71/90/81/358719081.db2.gz KESZLUBLUSPBQK-VHSXEESVSA-N 2 1 238.297 2.401 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000132737112 358735247 /nfs/dbraw/zinc/73/52/47/358735247.db2.gz OMZKDTKQLZIWJD-ZOBORPQBSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000132737112 358735249 /nfs/dbraw/zinc/73/52/49/358735249.db2.gz OMZKDTKQLZIWJD-ZOBORPQBSA-N 2 1 224.392 2.495 20 0 BEADMP CCCC[C@H](COC)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000133993070 358775531 /nfs/dbraw/zinc/77/55/31/358775531.db2.gz ABFZJAMJJCCBEU-HZSPNIEDSA-N 2 1 242.407 2.264 20 0 BEADMP CCCC[C@H](COC)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000133993070 358775535 /nfs/dbraw/zinc/77/55/35/358775535.db2.gz ABFZJAMJJCCBEU-HZSPNIEDSA-N 2 1 242.407 2.264 20 0 BEADMP CC[NH+](CC)CCC[NH2+]Cc1cccnc1C ZINC000134578392 358796388 /nfs/dbraw/zinc/79/63/88/358796388.db2.gz FDNLVWMZTNXPKL-UHFFFAOYSA-N 2 1 235.375 2.212 20 0 BEADMP Cc1csc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000086404450 358968485 /nfs/dbraw/zinc/96/84/85/358968485.db2.gz VVAJEVPTIRXYPC-DCAQKATOSA-N 2 1 239.388 2.372 20 0 BEADMP CC[N@H+]1CCC[C@@H]1CNc1cc[nH+]cc1C ZINC000070046752 359039865 /nfs/dbraw/zinc/03/98/65/359039865.db2.gz HMNLWQLWPMHUQS-GFCCVEGCSA-N 2 1 219.332 2.286 20 0 BEADMP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423321642 192705926 /nfs/dbraw/zinc/70/59/26/192705926.db2.gz NGLQUBYRIBYECH-SMDDNHRTSA-N 2 1 218.344 2.383 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C)CC2)CC1(C)C ZINC000623439657 359332545 /nfs/dbraw/zinc/33/25/45/359332545.db2.gz SBAUEJAOTNGCSE-LLVKDONJSA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000423477905 192788875 /nfs/dbraw/zinc/78/88/75/192788875.db2.gz UFWCDDLDWVQEJC-GXFFZTMASA-N 2 1 234.343 2.097 20 0 BEADMP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000423524149 192803887 /nfs/dbraw/zinc/80/38/87/192803887.db2.gz SMLWICOAGQLZMR-HIFRSBDPSA-N 2 1 248.370 2.024 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC23CC3)C1 ZINC000578454352 366573600 /nfs/dbraw/zinc/57/36/00/366573600.db2.gz XLDZAYNGWDHVOO-CHWSQXEVSA-N 2 1 222.376 2.251 20 0 BEADMP CCC1(CC)CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000087255325 359904055 /nfs/dbraw/zinc/90/40/55/359904055.db2.gz RHFJMOYJTULALP-ZDUSSCGKSA-N 2 1 224.392 2.498 20 0 BEADMP COCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164142 359939213 /nfs/dbraw/zinc/93/92/13/359939213.db2.gz YQPBGIFKQQNBCG-RLAWYHOSSA-N 2 1 240.391 2.016 20 0 BEADMP COCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164142 359939220 /nfs/dbraw/zinc/93/92/20/359939220.db2.gz YQPBGIFKQQNBCG-RLAWYHOSSA-N 2 1 240.391 2.016 20 0 BEADMP Cc1ccc(C[N@@H+](C)CCCc2c[nH+]cn2C)o1 ZINC000578903594 366672210 /nfs/dbraw/zinc/67/22/10/366672210.db2.gz NIQGDXJCMGUUFT-UHFFFAOYSA-N 2 1 247.342 2.386 20 0 BEADMP Cc1ccc(C[N@H+](C)CCCc2c[nH+]cn2C)o1 ZINC000578903594 366672216 /nfs/dbraw/zinc/67/22/16/366672216.db2.gz NIQGDXJCMGUUFT-UHFFFAOYSA-N 2 1 247.342 2.386 20 0 BEADMP c1ccc2c(c1)CC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000089749101 360036601 /nfs/dbraw/zinc/03/66/01/360036601.db2.gz CYYWDDBQFLESLZ-CYBMUJFWSA-N 2 1 230.355 2.044 20 0 BEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1(C2CC2)CC1 ZINC000090772697 360086316 /nfs/dbraw/zinc/08/63/16/360086316.db2.gz VUZHWDSIQVJVQA-UONOGXRCSA-N 2 1 234.387 2.393 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000133277476 491149427 /nfs/dbraw/zinc/14/94/27/491149427.db2.gz ZZYOZNOFGJINJC-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H](CC1CCC1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000309520315 491149889 /nfs/dbraw/zinc/14/98/89/491149889.db2.gz ZUZGMZOPDKTBHU-LBPRGKRZSA-N 2 1 222.376 2.417 20 0 BEADMP CC[N@H+](CC[NH2+][C@H]1CC[C@H]1C1CC1)C(C)C ZINC000309501670 491150506 /nfs/dbraw/zinc/15/05/06/491150506.db2.gz ZYNAXBMKRQPXJJ-KBPBESRZSA-N 2 1 224.392 2.495 20 0 BEADMP CC[N@@H+](CC[NH2+][C@H]1CC[C@H]1C1CC1)C(C)C ZINC000309501670 491150507 /nfs/dbraw/zinc/15/05/07/491150507.db2.gz ZYNAXBMKRQPXJJ-KBPBESRZSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153763841 360778087 /nfs/dbraw/zinc/77/80/87/360778087.db2.gz WICISGAFBMOMTM-VXGBXAGGSA-N 2 1 210.365 2.391 20 0 BEADMP CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000153763841 360778092 /nfs/dbraw/zinc/77/80/92/360778092.db2.gz WICISGAFBMOMTM-VXGBXAGGSA-N 2 1 210.365 2.391 20 0 BEADMP CCC([NH3+])(CC)C[NH2+]Cc1sccc1OC ZINC000414803416 200766068 /nfs/dbraw/zinc/76/60/68/200766068.db2.gz CMLHKZRUSSZECX-UHFFFAOYSA-N 2 1 242.388 2.364 20 0 BEADMP C[C@H](CCc1ccsc1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629407530 361055837 /nfs/dbraw/zinc/05/58/37/361055837.db2.gz CUYKJJWUSQKSMJ-NTZNESFSSA-N 2 1 238.400 2.409 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)CCCOC ZINC000309662136 491154063 /nfs/dbraw/zinc/15/40/63/491154063.db2.gz RRMXSONBGUMHDX-CHWSQXEVSA-N 2 1 230.396 2.121 20 0 BEADMP Fc1ccc([C@H]2CCC[C@H]2[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000629409895 361058666 /nfs/dbraw/zinc/05/86/66/361058666.db2.gz WENUPQKYSAAKNW-RBSFLKMASA-N 2 1 248.345 2.413 20 0 BEADMP c1ccc([C@H]2CCC[C@@H]2[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000629409821 361059408 /nfs/dbraw/zinc/05/94/08/361059408.db2.gz OPINMGUHHSZUAD-KFWWJZLASA-N 2 1 230.355 2.274 20 0 BEADMP C[C@H](CC1CCC1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629410505 361059506 /nfs/dbraw/zinc/05/95/06/361059506.db2.gz FWKMWWUYEWKQIP-WZRBSPASSA-N 2 1 210.365 2.295 20 0 BEADMP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000629510642 361108594 /nfs/dbraw/zinc/10/85/94/361108594.db2.gz DMRYERMHSZHDOU-ZDUSSCGKSA-N 2 1 247.386 2.294 20 0 BEADMP CCC[C@H](C)CCC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000629515994 361109697 /nfs/dbraw/zinc/10/96/97/361109697.db2.gz YUEYLDTZTDDQKC-IHRRRGAJSA-N 2 1 242.407 2.251 20 0 BEADMP CCC[C@H](C)CCC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000629515994 361109704 /nfs/dbraw/zinc/10/97/04/361109704.db2.gz YUEYLDTZTDDQKC-IHRRRGAJSA-N 2 1 242.407 2.251 20 0 BEADMP CCC[C@H](C)CCC[N@@H+](C)CCC[NH3+] ZINC000629515007 361112152 /nfs/dbraw/zinc/11/21/52/361112152.db2.gz OTOYFQQLSMUJJE-LBPRGKRZSA-N 2 1 200.370 2.483 20 0 BEADMP CCC[C@H](C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1)OCC ZINC000629515400 361114075 /nfs/dbraw/zinc/11/40/75/361114075.db2.gz RMHXYKTYFZSFQN-MCIONIFRSA-N 2 1 242.407 2.312 20 0 BEADMP CCO[C@H](C[N@H+]1CCCC[C@H]1CC[NH3+])C1CC1 ZINC000629531657 361148816 /nfs/dbraw/zinc/14/88/16/361148816.db2.gz SUIWLOSJSLONAX-UONOGXRCSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1c[nH+]ccc1N ZINC000622043709 370675451 /nfs/dbraw/zinc/67/54/51/370675451.db2.gz ILPIZIVILZUQIH-DTWKUNHWSA-N 2 1 241.285 2.190 20 0 BEADMP C[C@H]([NH2+]CC1CC(C)C1)c1c[nH+]ccc1N ZINC000622044401 370676919 /nfs/dbraw/zinc/67/69/19/370676919.db2.gz DJMCZQWNLRSHNX-YVNMAJEFSA-N 2 1 219.332 2.191 20 0 BEADMP Cc1nc([C@H](C)[NH2+]CC[C@H](C)[NH3+])c(C)s1 ZINC000622045260 370678355 /nfs/dbraw/zinc/67/83/55/370678355.db2.gz KEOINAWFHQDKMN-YUMQZZPRSA-N 2 1 227.377 2.148 20 0 BEADMP [NH3+]C1(C[NH2+][C@@H]2CCc3c2cccc3F)CCC1 ZINC000336250777 181332187 /nfs/dbraw/zinc/33/21/87/181332187.db2.gz SKPQENYLPHVTRZ-CYBMUJFWSA-N 2 1 234.318 2.284 20 0 BEADMP COC1(C[C@@H](C)[NH2+]C2CC[NH+](C)CC2)CCC1 ZINC000429361231 201105014 /nfs/dbraw/zinc/10/50/14/201105014.db2.gz IYBMQYGUXVDNAC-GFCCVEGCSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429576514 201117254 /nfs/dbraw/zinc/11/72/54/201117254.db2.gz CKDUBOSFTJTOPX-YPMHNXCESA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429576514 201117256 /nfs/dbraw/zinc/11/72/56/201117256.db2.gz CKDUBOSFTJTOPX-YPMHNXCESA-N 2 1 221.348 2.312 20 0 BEADMP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000629553073 361437076 /nfs/dbraw/zinc/43/70/76/361437076.db2.gz LEMGKGIQCSBGBA-BZUAXINKSA-N 2 1 244.382 2.448 20 0 BEADMP c1cncc([C@H]2CCC[C@@H]([NH2+][C@@H]3CC[NH2+]C3)C2)c1 ZINC000629553035 361437764 /nfs/dbraw/zinc/43/77/64/361437764.db2.gz HJGMFRGDQRSOLZ-NWANDNLSSA-N 2 1 245.370 2.059 20 0 BEADMP CC1(C)CC(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000629554097 361439696 /nfs/dbraw/zinc/43/96/96/361439696.db2.gz ZDQHHCHCRWPHQQ-TZMCWYRMSA-N 2 1 222.376 2.236 20 0 BEADMP CC1(C)CC(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000629554096 361440404 /nfs/dbraw/zinc/44/04/04/361440404.db2.gz ZDQHHCHCRWPHQQ-OCCSQVGLSA-N 2 1 222.376 2.236 20 0 BEADMP C[C@@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)CC[C@H]1[NH3+] ZINC000430941313 201158837 /nfs/dbraw/zinc/15/88/37/201158837.db2.gz VPRCWGIJHVLZDR-KMUNFCNLSA-N 2 1 248.345 2.482 20 0 BEADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CCCCC1(C)C ZINC000629581273 361470617 /nfs/dbraw/zinc/47/06/17/361470617.db2.gz UKZAQYHJFURDFN-CYBMUJFWSA-N 2 1 242.407 2.110 20 0 BEADMP C/C=C/C[C@H]1CCC[N@H+](CCC[NH2+]C)C1 ZINC000629595399 361482053 /nfs/dbraw/zinc/48/20/53/361482053.db2.gz ONENBHOHVPJBQP-OOPCZODUSA-N 2 1 210.365 2.274 20 0 BEADMP C/C=C/C[C@@H]1CCC[N@H+](CCC[NH2+]C)C1 ZINC000629595398 361482191 /nfs/dbraw/zinc/48/21/91/361482191.db2.gz ONENBHOHVPJBQP-ITDFMYJTSA-N 2 1 210.365 2.274 20 0 BEADMP C/C=C\C[C@@H]1CCC[N@H+](CCC[NH2+]C)C1 ZINC000629595397 361482408 /nfs/dbraw/zinc/48/24/08/361482408.db2.gz ONENBHOHVPJBQP-DHCBQETCSA-N 2 1 210.365 2.274 20 0 BEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCC1CCC1)C2 ZINC000629595939 361483156 /nfs/dbraw/zinc/48/31/56/361483156.db2.gz UJKVVJDYCROJDH-OKILXGFUSA-N 2 1 222.376 2.108 20 0 BEADMP Cc1cnccc1C[NH2+]CC1([NH3+])CCCCC1 ZINC000629648332 361541112 /nfs/dbraw/zinc/54/11/12/361541112.db2.gz SNGCHENBHCFWKO-UHFFFAOYSA-N 2 1 233.359 2.141 20 0 BEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cccs1)C2 ZINC000629667393 361588906 /nfs/dbraw/zinc/58/89/06/361588906.db2.gz UMHHKVSTDRAWNL-BETUJISGSA-N 2 1 236.384 2.180 20 0 BEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cccs1)C2 ZINC000629667393 361588909 /nfs/dbraw/zinc/58/89/09/361588909.db2.gz UMHHKVSTDRAWNL-BETUJISGSA-N 2 1 236.384 2.180 20 0 BEADMP CC(C)CCC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629667381 361589044 /nfs/dbraw/zinc/58/90/44/361589044.db2.gz PJNDEQHXUTWDDR-OKILXGFUSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@H](Cc1ccccc1)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000435378809 201265277 /nfs/dbraw/zinc/26/52/77/201265277.db2.gz KAPBGEUSQXXVEV-UKRRQHHQSA-N 2 1 232.371 2.146 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000435377072 201265522 /nfs/dbraw/zinc/26/55/22/201265522.db2.gz XUHHPSSGITZWTN-HOCLYGCPSA-N 2 1 246.398 2.407 20 0 BEADMP CCC(CC)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000154174948 201265984 /nfs/dbraw/zinc/26/59/84/201265984.db2.gz DXBIIQRZHASUKU-DGCLKSJQSA-N 2 1 212.381 2.495 20 0 BEADMP CC[N@@H+](Cc1ccc(C)nc1)[C@H]1CCC[NH2+]CC1 ZINC000435392195 201268255 /nfs/dbraw/zinc/26/82/55/201268255.db2.gz GHIHOSNWMXMSLR-HNNXBMFYSA-N 2 1 247.386 2.354 20 0 BEADMP [NH3+]C1CCC(Nc2[nH]c3ccccc3[nH+]2)CC1 ZINC000051694149 181342366 /nfs/dbraw/zinc/34/23/66/181342366.db2.gz URLZDCSCQXVPAJ-UHFFFAOYSA-N 2 1 230.315 2.245 20 0 BEADMP C[NH2+]CCC[N@@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000435873636 201292096 /nfs/dbraw/zinc/29/20/96/201292096.db2.gz DYZMRVUTUMFGHP-CQSZACIVSA-N 2 1 234.387 2.467 20 0 BEADMP CC[N@@H+](CCC[NH2+]C)Cc1ccccc1C ZINC000435882306 201296313 /nfs/dbraw/zinc/29/63/13/201296313.db2.gz XXSYWRLLWJHWJG-UHFFFAOYSA-N 2 1 220.360 2.426 20 0 BEADMP [NH3+]C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019688357 181343191 /nfs/dbraw/zinc/34/31/91/181343191.db2.gz WFNZTJWHNNELBY-QPJJXVBHSA-N 2 1 216.328 2.123 20 0 BEADMP [NH3+]C1CC[NH+](CCSc2ccccc2)CC1 ZINC000038078695 181343323 /nfs/dbraw/zinc/34/33/23/181343323.db2.gz LKXFPAFQTDYXDF-UHFFFAOYSA-N 2 1 236.384 2.202 20 0 BEADMP C[NH2+]CCC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000435880141 201293592 /nfs/dbraw/zinc/29/35/92/201293592.db2.gz NOGYXIYAAPBKKE-HNNXBMFYSA-N 2 1 232.371 2.161 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000435872706 201294120 /nfs/dbraw/zinc/29/41/20/201294120.db2.gz QCHQMIOIWIQONU-OAHLLOKOSA-N 2 1 248.370 2.442 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C)C[NH2+]1 ZINC000398959297 364280328 /nfs/dbraw/zinc/28/03/28/364280328.db2.gz KZVKDWZGOLKRRQ-QNWHQSFQSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC(C)(C)C2)C[NH2+]1 ZINC000398966805 364377645 /nfs/dbraw/zinc/37/76/45/364377645.db2.gz RSMHJGLQGWUPSO-GRYCIOLGSA-N 2 1 210.365 2.295 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C1CCC1 ZINC000399043734 364749622 /nfs/dbraw/zinc/74/96/22/364749622.db2.gz RONIFBBQBSPRLH-RTXFEEFZSA-N 2 1 210.365 2.295 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(C)CC2)[C@H](C)C1 ZINC000573633583 364880188 /nfs/dbraw/zinc/88/01/88/364880188.db2.gz HDMHDWVVFURXKB-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(C)CC2)[C@H](C)C1 ZINC000573633583 364880192 /nfs/dbraw/zinc/88/01/92/364880192.db2.gz HDMHDWVVFURXKB-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@@H](C)[C@H](C)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000168265959 364892682 /nfs/dbraw/zinc/89/26/82/364892682.db2.gz VCBVNGZKHKZOOT-OLZOCXBDSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)CCOC)C1 ZINC000446785326 541391313 /nfs/dbraw/zinc/39/13/13/541391313.db2.gz KYWFGCUGDAUKAW-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)CCOC)C1 ZINC000446785326 541391318 /nfs/dbraw/zinc/39/13/18/541391318.db2.gz KYWFGCUGDAUKAW-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)CCOC)C1 ZINC000446785326 541391321 /nfs/dbraw/zinc/39/13/21/541391321.db2.gz KYWFGCUGDAUKAW-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000573711319 364898609 /nfs/dbraw/zinc/89/86/09/364898609.db2.gz GIMOGCBSPKMKAF-NSHDSACASA-N 2 1 222.332 2.042 20 0 BEADMP Cc1cnccc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000573806727 364921276 /nfs/dbraw/zinc/92/12/76/364921276.db2.gz OJMBFDITFUBSGN-CQSZACIVSA-N 2 1 247.386 2.212 20 0 BEADMP [NH3+]CCCC[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000036826509 181376442 /nfs/dbraw/zinc/37/64/42/181376442.db2.gz WRNWAXPGEMRLNZ-CHWSQXEVSA-N 2 1 210.365 2.380 20 0 BEADMP [NH3+][C@@H](C[NH2+][C@H]1CCCNc2ccccc21)C1CC1 ZINC000579581006 366887094 /nfs/dbraw/zinc/88/70/94/366887094.db2.gz PAKQTYIDXMFCIQ-ZFWWWQNUSA-N 2 1 245.370 2.260 20 0 BEADMP Cc1ccc(CCC[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cn1 ZINC000575759707 365356356 /nfs/dbraw/zinc/35/63/56/365356356.db2.gz WAGCUYXBEXTTHE-UKRRQHHQSA-N 2 1 247.386 2.134 20 0 BEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccsc1 ZINC000575859827 365387507 /nfs/dbraw/zinc/38/75/07/365387507.db2.gz TVCTWEOQVSMWTE-JTQLQIEISA-N 2 1 212.362 2.398 20 0 BEADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1cccc(O)c1 ZINC000576016230 365452575 /nfs/dbraw/zinc/45/25/75/365452575.db2.gz NLAIXZSVWJXSPF-CYBMUJFWSA-N 2 1 248.370 2.214 20 0 BEADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1noc2ccccc21 ZINC000579972794 367110163 /nfs/dbraw/zinc/11/01/63/367110163.db2.gz KEXAFHKXYBWCOM-ZYHUDNBSSA-N 2 1 245.326 2.045 20 0 BEADMP C(C[N@H+]1[C@H]2CC[C@@H]1CCC2)[C@H]1CC[NH2+]C1 ZINC000380647468 367265657 /nfs/dbraw/zinc/26/56/57/367265657.db2.gz WKKHKRWNLMWDLH-UPJWGTAASA-N 2 1 208.349 2.003 20 0 BEADMP CC[C@H]1CCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000381357994 367388105 /nfs/dbraw/zinc/38/81/05/367388105.db2.gz DTBPOCUVBJMZJG-KBPBESRZSA-N 2 1 222.376 2.417 20 0 BEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1noc2ccccc12 ZINC000581440237 367473195 /nfs/dbraw/zinc/47/31/95/367473195.db2.gz ZJAHTOHVSZWSQW-VHSXEESVSA-N 2 1 233.315 2.043 20 0 BEADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1cccc(O)c1 ZINC000382592683 367546782 /nfs/dbraw/zinc/54/67/82/367546782.db2.gz HTRYWAXHDVLMGH-NSHDSACASA-N 2 1 234.343 2.185 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ccccc3C2)C[NH2+]1 ZINC000399129539 367598089 /nfs/dbraw/zinc/59/80/89/367598089.db2.gz VWKPTLCPTCSXEC-KCXAZCMYSA-N 2 1 244.382 2.274 20 0 BEADMP C[C@H](c1ccncc1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000383923005 367659939 /nfs/dbraw/zinc/65/99/39/367659939.db2.gz HXOXLXGVPCRTBH-MGPQQGTHSA-N 2 1 247.386 2.463 20 0 BEADMP CC[C@H]1[C@@H](C)CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000384026595 367669306 /nfs/dbraw/zinc/66/93/06/367669306.db2.gz YEZMKPBYPQIIJL-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000384156545 367672805 /nfs/dbraw/zinc/67/28/05/367672805.db2.gz LPKOOOMJKVLJIL-XJFOESAGSA-N 2 1 224.392 2.495 20 0 BEADMP CC/C=C/C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000384889882 367752343 /nfs/dbraw/zinc/75/23/43/367752343.db2.gz SZQBPCLDVKAEIE-CDJBXZAQSA-N 2 1 208.349 2.169 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cscn1 ZINC000581720317 367782259 /nfs/dbraw/zinc/78/22/59/367782259.db2.gz JHJNUCDMPFFKMG-GARJFASQSA-N 2 1 239.388 2.311 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1C ZINC000385668406 367853259 /nfs/dbraw/zinc/85/32/59/367853259.db2.gz PHYKOMFUNCNUIC-NCXFDQOBSA-N 2 1 222.376 2.246 20 0 BEADMP C(C1CCCCCC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385359935 367821846 /nfs/dbraw/zinc/82/18/46/367821846.db2.gz HUUPHSDABQQQRG-KGLIPLIRSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H](CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000385409979 367826134 /nfs/dbraw/zinc/82/61/34/367826134.db2.gz YTYPXBYWUQUZCC-IMJJTQAJSA-N 2 1 244.382 2.474 20 0 BEADMP C[C@@H](CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000385409979 367826136 /nfs/dbraw/zinc/82/61/36/367826136.db2.gz YTYPXBYWUQUZCC-IMJJTQAJSA-N 2 1 244.382 2.474 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCSCC[C@H]1C ZINC000385506799 367838803 /nfs/dbraw/zinc/83/88/03/367838803.db2.gz MKLRRJFWRCSFEE-VXGBXAGGSA-N 2 1 230.421 2.187 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCSCC[C@H]1C ZINC000385506799 367838808 /nfs/dbraw/zinc/83/88/08/367838808.db2.gz MKLRRJFWRCSFEE-VXGBXAGGSA-N 2 1 230.421 2.187 20 0 BEADMP C[C@H](c1cccnc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386181225 367925990 /nfs/dbraw/zinc/92/59/90/367925990.db2.gz IWDVHWFKQGQPNP-YUELXQCFSA-N 2 1 245.370 2.074 20 0 BEADMP C[C@@H](CCc1ccco1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399187829 367894424 /nfs/dbraw/zinc/89/44/24/367894424.db2.gz OGOVMFNLNSLRDG-AGIUHOORSA-N 2 1 236.359 2.331 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCCS1)[C@H]1CCCC[NH2+]1 ZINC000386588903 367997920 /nfs/dbraw/zinc/99/79/20/367997920.db2.gz QUWKHNBHAHUXKQ-SDDRHHMPSA-N 2 1 228.405 2.002 20 0 BEADMP CCC[N@H+](CC[C@H]1CCC[NH2+]C1)CC(F)F ZINC000386463506 367977157 /nfs/dbraw/zinc/97/71/57/367977157.db2.gz XEZADYYPFQTKBH-LLVKDONJSA-N 2 1 234.334 2.353 20 0 BEADMP CCC[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(F)F ZINC000386463506 367977161 /nfs/dbraw/zinc/97/71/61/367977161.db2.gz XEZADYYPFQTKBH-LLVKDONJSA-N 2 1 234.334 2.353 20 0 BEADMP C[C@H]1C[C@@H](C[N@H+](CC(F)F)C2CC2)CC[NH2+]1 ZINC000386979900 368040206 /nfs/dbraw/zinc/04/02/06/368040206.db2.gz ZKGMYJMZTASEDK-UWVGGRQHSA-N 2 1 232.318 2.104 20 0 BEADMP C[C@H]1C[C@@H](C[N@@H+](CC(F)F)C2CC2)CC[NH2+]1 ZINC000386979900 368040212 /nfs/dbraw/zinc/04/02/12/368040212.db2.gz ZKGMYJMZTASEDK-UWVGGRQHSA-N 2 1 232.318 2.104 20 0 BEADMP CC(C)[N@H+](CC(F)F)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000387098878 368050906 /nfs/dbraw/zinc/05/09/06/368050906.db2.gz WTTHSWRWGOYQOD-WDEREUQCSA-N 2 1 234.334 2.350 20 0 BEADMP CC(C)[N@@H+](CC(F)F)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000387098878 368050911 /nfs/dbraw/zinc/05/09/11/368050911.db2.gz WTTHSWRWGOYQOD-WDEREUQCSA-N 2 1 234.334 2.350 20 0 BEADMP C(=C\c1ccccc1)\C[NH2+]CCC[NH+]1CCC1 ZINC000581954094 368019622 /nfs/dbraw/zinc/01/96/22/368019622.db2.gz JKKQETREZUKEQU-WTKPLQERSA-N 2 1 230.355 2.385 20 0 BEADMP C[C@H](C[N@@H+](C)C[C@@H]1CC[NH2+]C1)C(C)(C)C ZINC000399697693 368486315 /nfs/dbraw/zinc/48/63/15/368486315.db2.gz BLUJAYOHLSOWSY-VXGBXAGGSA-N 2 1 212.381 2.210 20 0 BEADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cccnc2)C1 ZINC000072858212 368782731 /nfs/dbraw/zinc/78/27/31/368782731.db2.gz NFTPFXPBLVSPAJ-UONOGXRCSA-N 2 1 247.386 2.416 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cccnc2)C1 ZINC000072858212 368782735 /nfs/dbraw/zinc/78/27/35/368782735.db2.gz NFTPFXPBLVSPAJ-UONOGXRCSA-N 2 1 247.386 2.416 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2cccnc2)C1 ZINC000072858212 368782736 /nfs/dbraw/zinc/78/27/36/368782736.db2.gz NFTPFXPBLVSPAJ-UONOGXRCSA-N 2 1 247.386 2.416 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2cccnc2)C1 ZINC000072858212 368782741 /nfs/dbraw/zinc/78/27/41/368782741.db2.gz NFTPFXPBLVSPAJ-UONOGXRCSA-N 2 1 247.386 2.416 20 0 BEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000623656992 368998170 /nfs/dbraw/zinc/99/81/70/368998170.db2.gz HHZAHOAAHCZMRE-QWHCGFSZSA-N 2 1 242.432 2.204 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000623655838 368991770 /nfs/dbraw/zinc/99/17/70/368991770.db2.gz GZPJSKKWKHMYDS-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1C[NH3+] ZINC000631836729 369088795 /nfs/dbraw/zinc/08/87/95/369088795.db2.gz FZKXJWXTONATET-DGCLKSJQSA-N 2 1 210.365 2.093 20 0 BEADMP CCc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000631837392 369094361 /nfs/dbraw/zinc/09/43/61/369094361.db2.gz RZXVYIYBLMLVIM-SWLSCSKDSA-N 2 1 232.371 2.276 20 0 BEADMP CC(C)[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459561678 203299865 /nfs/dbraw/zinc/29/98/65/203299865.db2.gz BYRMNTVGUJTOIY-WFASDCNBSA-N 2 1 236.403 2.495 20 0 BEADMP COc1cccc(CCC[N@@H+]2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000631858612 369441705 /nfs/dbraw/zinc/44/17/05/369441705.db2.gz BHAXWJPNJHOXKC-TZMCWYRMSA-N 2 1 248.370 2.049 20 0 BEADMP COc1cccc(CCC[N@H+]2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000631858612 369441710 /nfs/dbraw/zinc/44/17/10/369441710.db2.gz BHAXWJPNJHOXKC-TZMCWYRMSA-N 2 1 248.370 2.049 20 0 BEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(O)c2)C1 ZINC000459728006 203344539 /nfs/dbraw/zinc/34/45/39/203344539.db2.gz HXBCARLSZTUGMF-ZDUSSCGKSA-N 2 1 248.370 2.214 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459732731 203345765 /nfs/dbraw/zinc/34/57/65/203345765.db2.gz MSQMRISNRYGPIN-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CSC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459798037 203372961 /nfs/dbraw/zinc/37/29/61/203372961.db2.gz XKELHXXGWGDTRY-JHJVBQTASA-N 2 1 242.432 2.059 20 0 BEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C2CC2)C1 ZINC000165293168 203383904 /nfs/dbraw/zinc/38/39/04/203383904.db2.gz VKQGXOPBVUMMTB-QWHCGFSZSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)C1CC1 ZINC000165266544 203382641 /nfs/dbraw/zinc/38/26/41/203382641.db2.gz VUNNSDBAXKQJGS-UPJWGTAASA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)C1CC1 ZINC000165266544 203382644 /nfs/dbraw/zinc/38/26/44/203382644.db2.gz VUNNSDBAXKQJGS-UPJWGTAASA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)[C@@H]1C ZINC000459783932 203367195 /nfs/dbraw/zinc/36/71/95/203367195.db2.gz NMJWWDMVZUDEFV-MQYQWHSLSA-N 2 1 224.392 2.352 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCC1(C)C ZINC000568182725 326322223 /nfs/dbraw/zinc/32/22/23/326322223.db2.gz ZOXVEXZVBDTGDJ-NEPJUHHUSA-N 2 1 210.365 2.249 20 0 BEADMP COc1ccccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253199452 370161557 /nfs/dbraw/zinc/16/15/57/370161557.db2.gz WKBONDJEZHGZOB-TZMCWYRMSA-N 2 1 248.370 2.112 20 0 BEADMP CC1CC(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000621771811 370514744 /nfs/dbraw/zinc/51/47/44/370514744.db2.gz NGKGNURXKTWFEF-MVKMKZAISA-N 2 1 210.365 2.105 20 0 BEADMP CC1CC(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000621771813 370515093 /nfs/dbraw/zinc/51/50/93/370515093.db2.gz NGKGNURXKTWFEF-PYNQCMFNSA-N 2 1 210.365 2.105 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CC(C)C2)[C@@H](C)C1 ZINC000621739715 370497141 /nfs/dbraw/zinc/49/71/41/370497141.db2.gz UHDXQWVWWIRZHZ-GNRIBBGQSA-N 2 1 224.392 2.352 20 0 BEADMP Cc1ccccc1C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621777342 370525402 /nfs/dbraw/zinc/52/54/02/370525402.db2.gz AZXHZNUSBIVIBR-GJZGRUSLSA-N 2 1 230.355 2.308 20 0 BEADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CC1CCCCC1)C2 ZINC000621777649 370527148 /nfs/dbraw/zinc/52/71/48/370527148.db2.gz DJBVHYATJHXSHZ-KBPBESRZSA-N 2 1 222.376 2.380 20 0 BEADMP Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000621777725 370527364 /nfs/dbraw/zinc/52/73/64/370527364.db2.gz FRNNKCHATUYILM-LSDHHAIUSA-N 2 1 230.355 2.308 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000621777725 370527366 /nfs/dbraw/zinc/52/73/66/370527366.db2.gz FRNNKCHATUYILM-LSDHHAIUSA-N 2 1 230.355 2.308 20 0 BEADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCCC1CCC1)C2 ZINC000621783467 370534238 /nfs/dbraw/zinc/53/42/38/370534238.db2.gz BXRYMNLCFPGMPP-UONOGXRCSA-N 2 1 222.376 2.380 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccncc1 ZINC000624122647 371323063 /nfs/dbraw/zinc/32/30/63/371323063.db2.gz XNAKRCPUCLYEIP-ZIAGYGMSSA-N 2 1 247.386 2.464 20 0 BEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000624123893 371324450 /nfs/dbraw/zinc/32/44/50/371324450.db2.gz SNBGIOCXBXMITM-LXTVHRRPSA-N 2 1 236.403 2.497 20 0 BEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000624123891 371324465 /nfs/dbraw/zinc/32/44/65/371324465.db2.gz SNBGIOCXBXMITM-BYNSBNAKSA-N 2 1 236.403 2.497 20 0 BEADMP C[NH+](C)CCC[NH2+][C@H]1CCCc2ncccc21 ZINC000631560892 372424421 /nfs/dbraw/zinc/42/44/21/372424421.db2.gz HCTXEYFBGWJWFU-AWEZNQCLSA-N 2 1 233.359 2.000 20 0 BEADMP FC1(F)CC[C@H](C[NH+]2CCC3(CC[NH2+]3)CC2)C1 ZINC000631828320 372608568 /nfs/dbraw/zinc/60/85/68/372608568.db2.gz LPUBPCLMBOSZGC-NSHDSACASA-N 2 1 244.329 2.250 20 0 BEADMP CCCCOCC[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631832778 372615819 /nfs/dbraw/zinc/61/58/19/372615819.db2.gz NEOSWHRTLHDBGG-CYBMUJFWSA-N 2 1 228.380 2.006 20 0 BEADMP CCCCOCC[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631832778 372615823 /nfs/dbraw/zinc/61/58/23/372615823.db2.gz NEOSWHRTLHDBGG-CYBMUJFWSA-N 2 1 228.380 2.006 20 0 BEADMP CC(C)C[C@H](C)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838933 372633585 /nfs/dbraw/zinc/63/35/85/372633585.db2.gz XFNPIURGBFOAOT-YNEHKIRRSA-N 2 1 212.381 2.195 20 0 BEADMP C[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839554 372635758 /nfs/dbraw/zinc/63/57/58/372635758.db2.gz HRABYVDZHUTUSH-NTZNESFSSA-N 2 1 236.334 2.413 20 0 BEADMP Cc1ccc(CC[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631840519 372636027 /nfs/dbraw/zinc/63/60/27/372636027.db2.gz SXOISGHQXVHUOW-UKRRQHHQSA-N 2 1 232.371 2.064 20 0 BEADMP C[C@@H](c1ccccc1F)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841633 372638408 /nfs/dbraw/zinc/63/84/08/372638408.db2.gz NKARUANFGWFBQI-GRYCIOLGSA-N 2 1 236.334 2.413 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000631844064 372643044 /nfs/dbraw/zinc/64/30/44/372643044.db2.gz UYGQQEXXWVPTRX-ZYHUDNBSSA-N 2 1 238.762 2.367 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CC1CCCCCC1 ZINC000631861624 372663551 /nfs/dbraw/zinc/66/35/51/372663551.db2.gz FUXMAQVPWSZSNY-YPMHNXCESA-N 2 1 210.365 2.378 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CC1CCCCCC1 ZINC000631861624 372663556 /nfs/dbraw/zinc/66/35/56/372663556.db2.gz FUXMAQVPWSZSNY-YPMHNXCESA-N 2 1 210.365 2.378 20 0 BEADMP C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)C1CCC1 ZINC000631890472 372674719 /nfs/dbraw/zinc/67/47/19/372674719.db2.gz PTLFTJKFNCIUHT-UONOGXRCSA-N 2 1 222.376 2.251 20 0 BEADMP C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)C1CCC1 ZINC000631890472 372674726 /nfs/dbraw/zinc/67/47/26/372674726.db2.gz PTLFTJKFNCIUHT-UONOGXRCSA-N 2 1 222.376 2.251 20 0 BEADMP [NH3+]CCC[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000631873984 372675553 /nfs/dbraw/zinc/67/55/53/372675553.db2.gz XGGYWHUOFKLZNG-CYBMUJFWSA-N 2 1 210.365 2.237 20 0 BEADMP FCCCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890976 372675575 /nfs/dbraw/zinc/67/55/75/372675575.db2.gz VGVIGWUQMNCDHD-STQMWFEESA-N 2 1 228.355 2.200 20 0 BEADMP FCCCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890976 372675580 /nfs/dbraw/zinc/67/55/80/372675580.db2.gz VGVIGWUQMNCDHD-STQMWFEESA-N 2 1 228.355 2.200 20 0 BEADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@]1(F)c1ccccc1 ZINC000424381116 206039230 /nfs/dbraw/zinc/03/92/30/206039230.db2.gz YFRXKYBDNYMWRR-MXAVVETBSA-N 2 1 248.345 2.341 20 0 BEADMP COCC(C)(C)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000426417776 206048184 /nfs/dbraw/zinc/04/81/84/206048184.db2.gz CKGOFYJFTNIJGW-CHWSQXEVSA-N 2 1 242.407 2.074 20 0 BEADMP COCC(C)(C)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000426417776 206048189 /nfs/dbraw/zinc/04/81/89/206048189.db2.gz CKGOFYJFTNIJGW-CHWSQXEVSA-N 2 1 242.407 2.074 20 0 BEADMP COCC(C)(C)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000426417776 206048190 /nfs/dbraw/zinc/04/81/90/206048190.db2.gz CKGOFYJFTNIJGW-CHWSQXEVSA-N 2 1 242.407 2.074 20 0 BEADMP COCC(C)(C)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000426417776 206048196 /nfs/dbraw/zinc/04/81/96/206048196.db2.gz CKGOFYJFTNIJGW-CHWSQXEVSA-N 2 1 242.407 2.074 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccc(C)cc2)C1 ZINC000430915327 206061497 /nfs/dbraw/zinc/06/14/97/206061497.db2.gz CEQYOLOELAAUNK-HNNXBMFYSA-N 2 1 232.371 2.079 20 0 BEADMP CCCC[C@@H](C)[N@@H+](C)CCc1cncn1C ZINC000459497238 206130894 /nfs/dbraw/zinc/13/08/94/206130894.db2.gz IWIXHTNUKXASGN-GFCCVEGCSA-N 2 1 223.364 2.473 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1cccc2ncccc12 ZINC000381976353 487528147 /nfs/dbraw/zinc/52/81/47/487528147.db2.gz CVQLYDHVUMQAEX-UHFFFAOYSA-N 2 1 229.327 2.015 20 0 BEADMP CCC[N@H+](CC)CCCn1cc[nH+]c1C ZINC000270634145 169120360 /nfs/dbraw/zinc/12/03/60/169120360.db2.gz LYKDBKNAUNCDHX-UHFFFAOYSA-N 2 1 209.337 2.314 20 0 BEADMP CCC[N@@H+](CC)CCCn1cc[nH+]c1C ZINC000270634145 169120363 /nfs/dbraw/zinc/12/03/63/169120363.db2.gz LYKDBKNAUNCDHX-UHFFFAOYSA-N 2 1 209.337 2.314 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCC1(C)C ZINC000308848944 169122231 /nfs/dbraw/zinc/12/22/31/169122231.db2.gz QMTFVTPMPDQYLD-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCC1(C)C ZINC000308848944 169122234 /nfs/dbraw/zinc/12/22/34/169122234.db2.gz QMTFVTPMPDQYLD-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)C(C)C ZINC000053376726 169123419 /nfs/dbraw/zinc/12/34/19/169123419.db2.gz IWADCNWNPIEDFH-LBPRGKRZSA-N 2 1 200.370 2.352 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)C(C)C ZINC000053376726 169123422 /nfs/dbraw/zinc/12/34/22/169123422.db2.gz IWADCNWNPIEDFH-LBPRGKRZSA-N 2 1 200.370 2.352 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H]1CC[C@H]1CC ZINC000336756113 169123651 /nfs/dbraw/zinc/12/36/51/169123651.db2.gz IKCBZDWUNQABCN-OLZOCXBDSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CC[C@H]1CC ZINC000336756113 169123652 /nfs/dbraw/zinc/12/36/52/169123652.db2.gz IKCBZDWUNQABCN-OLZOCXBDSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCCOCC1 ZINC000353480162 169124994 /nfs/dbraw/zinc/12/49/94/169124994.db2.gz HXJBZMFIQCQMCS-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCCOCC1 ZINC000353480162 169124996 /nfs/dbraw/zinc/12/49/96/169124996.db2.gz HXJBZMFIQCQMCS-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@H]1C[C@H]1C ZINC000309100201 169127202 /nfs/dbraw/zinc/12/72/02/169127202.db2.gz GJMNNIMNHSUSID-FRRDWIJNSA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@H]1C[C@H]1C ZINC000309100201 169127204 /nfs/dbraw/zinc/12/72/04/169127204.db2.gz GJMNNIMNHSUSID-FRRDWIJNSA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000356506773 169126641 /nfs/dbraw/zinc/12/66/41/169126641.db2.gz PLHXSDZPFQMTGO-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000356506773 169126643 /nfs/dbraw/zinc/12/66/43/169126643.db2.gz PLHXSDZPFQMTGO-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@H+](CCn1cc[nH+]c1C)CC1CC1 ZINC000336698145 169171745 /nfs/dbraw/zinc/17/17/45/169171745.db2.gz IEBCZDMYKJACGO-UHFFFAOYSA-N 2 1 221.348 2.314 20 0 BEADMP CCC[N@@H+](CCn1cc[nH+]c1C)CC1CC1 ZINC000336698145 169171746 /nfs/dbraw/zinc/17/17/46/169171746.db2.gz IEBCZDMYKJACGO-UHFFFAOYSA-N 2 1 221.348 2.314 20 0 BEADMP CCC[N@H+](CCC1CC[NH2+]CC1)CC(F)F ZINC000359222809 169153308 /nfs/dbraw/zinc/15/33/08/169153308.db2.gz QQRUSNZCTMBTJX-UHFFFAOYSA-N 2 1 234.334 2.353 20 0 BEADMP CCC[N@@H+](CCC1CC[NH2+]CC1)CC(F)F ZINC000359222809 169153310 /nfs/dbraw/zinc/15/33/10/169153310.db2.gz QQRUSNZCTMBTJX-UHFFFAOYSA-N 2 1 234.334 2.353 20 0 BEADMP CCC[N@@H+](CCC[NH3+])Cc1ccc(F)cc1 ZINC000036731896 169156352 /nfs/dbraw/zinc/15/63/52/169156352.db2.gz IMQXEBAFJPWACN-UHFFFAOYSA-N 2 1 224.323 2.387 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)CC(C)C ZINC000336687061 169156696 /nfs/dbraw/zinc/15/66/96/169156696.db2.gz MEEXOOHFWDSCID-UHFFFAOYSA-N 2 1 200.370 2.306 20 0 BEADMP CCC[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000051918961 169170073 /nfs/dbraw/zinc/17/00/73/169170073.db2.gz KBNJLVLPCHUVST-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP CCC[NH+]1CCC([N@@H+](C)CCCCOC)CC1 ZINC000117881980 169186018 /nfs/dbraw/zinc/18/60/18/169186018.db2.gz RMFVQAJXDUQHCF-UHFFFAOYSA-N 2 1 242.407 2.219 20 0 BEADMP CCC[NH+]1CCC([N@H+](C)Cc2ccn(C)c2)CC1 ZINC000092165510 169186981 /nfs/dbraw/zinc/18/69/81/169186981.db2.gz AQRBVOJMGQEDAV-UHFFFAOYSA-N 2 1 249.402 2.331 20 0 BEADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccn(C)c2)CC1 ZINC000092165510 169186982 /nfs/dbraw/zinc/18/69/82/169186982.db2.gz AQRBVOJMGQEDAV-UHFFFAOYSA-N 2 1 249.402 2.331 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CC1 ZINC000309046035 169200583 /nfs/dbraw/zinc/20/05/83/169200583.db2.gz OPRAZUYDPKCOMN-YPMHNXCESA-N 2 1 210.365 2.249 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CC1 ZINC000309046035 169200584 /nfs/dbraw/zinc/20/05/84/169200584.db2.gz OPRAZUYDPKCOMN-YPMHNXCESA-N 2 1 210.365 2.249 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccncc2)C1 ZINC000156487926 169206378 /nfs/dbraw/zinc/20/63/78/169206378.db2.gz GOEDZZMCOMJCIJ-KBPBESRZSA-N 2 1 247.386 2.464 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)COC(C)C)C1 ZINC000337339615 169208197 /nfs/dbraw/zinc/20/81/97/169208197.db2.gz OSUIRJSHLPWNBR-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)co1 ZINC000125981599 183351508 /nfs/dbraw/zinc/35/15/08/183351508.db2.gz XIUDNNALRBGVMI-HZSPNIEDSA-N 2 1 234.343 2.290 20 0 BEADMP c1ccc(CCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000031994631 183391659 /nfs/dbraw/zinc/39/16/59/183391659.db2.gz AIZUTGQRJCORCJ-INIZCTEOSA-N 2 1 244.382 2.305 20 0 BEADMP CCC[C@@H](CC)[NH2+]CCn1cc[nH+]c1C ZINC000050403283 169379184 /nfs/dbraw/zinc/37/91/84/169379184.db2.gz NJZWQYQTLPIZOB-GFCCVEGCSA-N 2 1 209.337 2.360 20 0 BEADMP CC[C@@H](C)[C@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001644099396 1172526094 /nfs/dbraw/zinc/52/60/94/1172526094.db2.gz PICIYNDEBMLFQJ-RQJABVFESA-N 2 1 224.392 2.305 20 0 BEADMP CC[C@@H](C)[C@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001644099396 1172526100 /nfs/dbraw/zinc/52/61/00/1172526100.db2.gz PICIYNDEBMLFQJ-RQJABVFESA-N 2 1 224.392 2.305 20 0 BEADMP CC[C@@H](C)[C@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001644099396 1172526107 /nfs/dbraw/zinc/52/61/07/1172526107.db2.gz PICIYNDEBMLFQJ-RQJABVFESA-N 2 1 224.392 2.305 20 0 BEADMP COCc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000088567211 383911284 /nfs/dbraw/zinc/91/12/84/383911284.db2.gz XGPBBXHXALRIOI-UHFFFAOYSA-N 2 1 248.370 2.017 20 0 BEADMP C[NH+]1CCC([NH2+]CC2CCC(F)CC2)CC1 ZINC000647253110 383933871 /nfs/dbraw/zinc/93/38/71/383933871.db2.gz PUAVYZNRGQBUGY-UHFFFAOYSA-N 2 1 228.355 2.199 20 0 BEADMP CSCC[C@H](C)[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000300056445 383972918 /nfs/dbraw/zinc/97/29/18/383972918.db2.gz QAVJSYGRDGBXOB-AVGNSLFASA-N 2 1 244.448 2.448 20 0 BEADMP Cc1[nH+]ccc(N2CCC[N@H+](C)CC2)c1Cl ZINC000558392090 383977842 /nfs/dbraw/zinc/97/78/42/383977842.db2.gz IMGJLVXROAMITN-UHFFFAOYSA-N 2 1 239.750 2.185 20 0 BEADMP Cc1ncc([C@H](C)[NH2+]CCC[NH2+]C2CC2)s1 ZINC000643545052 384008106 /nfs/dbraw/zinc/00/81/06/384008106.db2.gz AUPLLSPBGPXWCU-VIFPVBQESA-N 2 1 239.388 2.244 20 0 BEADMP Cc1ncc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)s1 ZINC000643545051 384009460 /nfs/dbraw/zinc/00/94/60/384009460.db2.gz AUPLLSPBGPXWCU-SECBINFHSA-N 2 1 239.388 2.244 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccccn1 ZINC000643547225 384033831 /nfs/dbraw/zinc/03/38/31/384033831.db2.gz BQLTWIGOUQOCRZ-STQMWFEESA-N 2 1 245.370 2.407 20 0 BEADMP CCC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000090219709 384035972 /nfs/dbraw/zinc/03/59/72/384035972.db2.gz FPZGULZXHNXWJL-YNEHKIRRSA-N 2 1 224.392 2.495 20 0 BEADMP Cc1nc(C)c([C@H](C)[N@H+](C)CCC[NH3+])s1 ZINC000227742674 134392342 /nfs/dbraw/zinc/39/23/42/134392342.db2.gz BNWYPJHPXAICRJ-VIFPVBQESA-N 2 1 227.377 2.102 20 0 BEADMP Cc1nc(C)c([C@H](C)[N@@H+](C)CCC[NH3+])s1 ZINC000227742674 134392344 /nfs/dbraw/zinc/39/23/44/134392344.db2.gz BNWYPJHPXAICRJ-VIFPVBQESA-N 2 1 227.377 2.102 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000335917835 384124818 /nfs/dbraw/zinc/12/48/18/384124818.db2.gz CKGRKEUNBVXZFL-QWHCGFSZSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1Cc2[nH+]cn(CC3CC[NH2+]CC3)c2C[C@H]1C ZINC000335917774 384126411 /nfs/dbraw/zinc/12/64/11/384126411.db2.gz IONMMQSEZIVWSB-VXGBXAGGSA-N 2 1 247.386 2.254 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000090720172 384164214 /nfs/dbraw/zinc/16/42/14/384164214.db2.gz IFFCQVFKPHZLTR-BXUZGUMPSA-N 2 1 236.334 2.398 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)CC[N@H+]1C ZINC000090720172 384164218 /nfs/dbraw/zinc/16/42/18/384164218.db2.gz IFFCQVFKPHZLTR-BXUZGUMPSA-N 2 1 236.334 2.398 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000163206075 384165307 /nfs/dbraw/zinc/16/53/07/384165307.db2.gz NPBQKRQRYPCKBR-KGLIPLIRSA-N 2 1 232.371 2.473 20 0 BEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccsc1 ZINC000050340185 384193249 /nfs/dbraw/zinc/19/32/49/384193249.db2.gz VIPCAZDNAOPFPL-JTQLQIEISA-N 2 1 224.373 2.493 20 0 BEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000336595678 384199254 /nfs/dbraw/zinc/19/92/54/384199254.db2.gz BLXUPCZIAPGCEI-JQWIXIFHSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000336595678 384199257 /nfs/dbraw/zinc/19/92/57/384199257.db2.gz BLXUPCZIAPGCEI-JQWIXIFHSA-N 2 1 246.345 2.494 20 0 BEADMP C(C1CCC1)[N@@H+]1CCC[C@H]1CN1CCCC1 ZINC000173620869 384239283 /nfs/dbraw/zinc/23/92/83/384239283.db2.gz JEIWIGOERIEYFD-AWEZNQCLSA-N 2 1 222.376 2.347 20 0 BEADMP C[N@@H+](Cc1ccsc1)CC(C)(C)C[NH3+] ZINC000051216653 384229693 /nfs/dbraw/zinc/22/96/93/384229693.db2.gz MYRPCKRPLGPWAW-UHFFFAOYSA-N 2 1 212.362 2.165 20 0 BEADMP CC[C@H]1C[N@@H+](CC2(OC)CCCC2)CC[C@@H]1[NH3+] ZINC000319456332 384251299 /nfs/dbraw/zinc/25/12/99/384251299.db2.gz OCXSXEAPRMUKQX-STQMWFEESA-N 2 1 240.391 2.005 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000558700063 384252211 /nfs/dbraw/zinc/25/22/11/384252211.db2.gz PJECVSPMODDHMB-BARDWOONSA-N 2 1 236.403 2.497 20 0 BEADMP COC1(C[N@H+]2CCC[C@@H](CC[NH3+])C2)CCCC1 ZINC000319509349 384255982 /nfs/dbraw/zinc/25/59/82/384255982.db2.gz XHWZKAIHUANNJL-ZDUSSCGKSA-N 2 1 240.391 2.006 20 0 BEADMP C[C@@H]([NH2+]CC[NH3+])c1cc2c(s1)CCCC2 ZINC000133621338 384262659 /nfs/dbraw/zinc/26/26/59/384262659.db2.gz HGWHVFQAKYJNMJ-SECBINFHSA-N 2 1 224.373 2.236 20 0 BEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(O)c2)C1 ZINC000093770568 384269746 /nfs/dbraw/zinc/26/97/46/384269746.db2.gz DYDDKLUQABVUAT-CQSZACIVSA-N 2 1 248.370 2.166 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(O)c2)C1 ZINC000093770568 384269749 /nfs/dbraw/zinc/26/97/49/384269749.db2.gz DYDDKLUQABVUAT-CQSZACIVSA-N 2 1 248.370 2.166 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(O)c2)C1 ZINC000093770568 384269752 /nfs/dbraw/zinc/26/97/52/384269752.db2.gz DYDDKLUQABVUAT-CQSZACIVSA-N 2 1 248.370 2.166 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(O)c2)C1 ZINC000093770568 384269759 /nfs/dbraw/zinc/26/97/59/384269759.db2.gz DYDDKLUQABVUAT-CQSZACIVSA-N 2 1 248.370 2.166 20 0 BEADMP CCc1cc(N[C@@H]2CCC[C@H]2[NH+](C)C)nc(C)[nH+]1 ZINC000362680002 384315435 /nfs/dbraw/zinc/31/54/35/384315435.db2.gz GRXJHBCGGISCQP-CHWSQXEVSA-N 2 1 248.374 2.242 20 0 BEADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)C1CC1 ZINC000083055493 384278921 /nfs/dbraw/zinc/27/89/21/384278921.db2.gz UFFBWFOMBNABCF-YPMHNXCESA-N 2 1 210.365 2.106 20 0 BEADMP CC1(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](N)C2)CC1 ZINC000569577263 384280284 /nfs/dbraw/zinc/28/02/84/384280284.db2.gz MVEIGBJKYWGQKC-UONOGXRCSA-N 2 1 230.355 2.213 20 0 BEADMP COC(C)(C)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000533479203 384361818 /nfs/dbraw/zinc/36/18/18/384361818.db2.gz SCDZZNHYCUFKNY-ZDUSSCGKSA-N 2 1 242.407 2.218 20 0 BEADMP COC(C)(C)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000533479203 384361820 /nfs/dbraw/zinc/36/18/20/384361820.db2.gz SCDZZNHYCUFKNY-ZDUSSCGKSA-N 2 1 242.407 2.218 20 0 BEADMP COC(C)(C)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000533479203 384361823 /nfs/dbraw/zinc/36/18/23/384361823.db2.gz SCDZZNHYCUFKNY-ZDUSSCGKSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CC=CCC2)CC1 ZINC000084066608 384362482 /nfs/dbraw/zinc/36/24/82/384362482.db2.gz OIFHTKDYFIPLSW-GFCCVEGCSA-N 2 1 208.349 2.169 20 0 BEADMP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1C ZINC000569619093 384363170 /nfs/dbraw/zinc/36/31/70/384363170.db2.gz OKUMDCDACQSCHM-GXTWGEPZSA-N 2 1 248.370 2.315 20 0 BEADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1C ZINC000569619093 384363178 /nfs/dbraw/zinc/36/31/78/384363178.db2.gz OKUMDCDACQSCHM-GXTWGEPZSA-N 2 1 248.370 2.315 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000229060650 384415425 /nfs/dbraw/zinc/41/54/25/384415425.db2.gz CNHUWTXKMZMZPT-JQWIXIFHSA-N 2 1 238.400 2.473 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000335602283 384378080 /nfs/dbraw/zinc/37/80/80/384378080.db2.gz GALCLFZUKGVOQX-CYBMUJFWSA-N 2 1 222.376 2.417 20 0 BEADMP Clc1sccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000312739677 384445799 /nfs/dbraw/zinc/44/57/99/384445799.db2.gz BGGBODIBZKAZLK-VIFPVBQESA-N 2 1 244.791 2.491 20 0 BEADMP CC[N@H+](CCC(F)(F)F)C[C@@]1(C)CC[NH2+]C1 ZINC000647515241 384449228 /nfs/dbraw/zinc/44/92/28/384449228.db2.gz WWNHPTBDHYJLRW-JTQLQIEISA-N 2 1 238.297 2.260 20 0 BEADMP CC[N@@H+](CCC(F)(F)F)C[C@@]1(C)CC[NH2+]C1 ZINC000647515241 384449233 /nfs/dbraw/zinc/44/92/33/384449233.db2.gz WWNHPTBDHYJLRW-JTQLQIEISA-N 2 1 238.297 2.260 20 0 BEADMP CC[N@H+](CCC(F)(F)F)C[C@]1(C)CC[NH2+]C1 ZINC000647515242 384450687 /nfs/dbraw/zinc/45/06/87/384450687.db2.gz WWNHPTBDHYJLRW-SNVBAGLBSA-N 2 1 238.297 2.260 20 0 BEADMP CC[N@@H+](CCC(F)(F)F)C[C@]1(C)CC[NH2+]C1 ZINC000647515242 384450695 /nfs/dbraw/zinc/45/06/95/384450695.db2.gz WWNHPTBDHYJLRW-SNVBAGLBSA-N 2 1 238.297 2.260 20 0 BEADMP CC[N@@H+](CCC[NH3+])Cc1ccccc1C ZINC000036731795 384455526 /nfs/dbraw/zinc/45/55/26/384455526.db2.gz RWYFXQLHTSSNJK-UHFFFAOYSA-N 2 1 206.333 2.166 20 0 BEADMP CCc1ccc([C@H](CC)[NH2+]CC[NH3+])cc1 ZINC000037712771 384508742 /nfs/dbraw/zinc/50/87/42/384508742.db2.gz JTNKGGJQDHQICF-ZDUSSCGKSA-N 2 1 206.333 2.248 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(F)cc1 ZINC000049329890 384529930 /nfs/dbraw/zinc/52/99/30/384529930.db2.gz DTTRRAVPIJRSDU-UHFFFAOYSA-N 2 1 233.290 2.120 20 0 BEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000040621382 384590444 /nfs/dbraw/zinc/59/04/44/384590444.db2.gz JRICFOBWVDHJLY-UONOGXRCSA-N 2 1 247.386 2.463 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000040621382 384590452 /nfs/dbraw/zinc/59/04/52/384590452.db2.gz JRICFOBWVDHJLY-UONOGXRCSA-N 2 1 247.386 2.463 20 0 BEADMP C(C1CCCCC1)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643065747 384578202 /nfs/dbraw/zinc/57/82/02/384578202.db2.gz FRZCFKWPZVTQNQ-UONOGXRCSA-N 2 1 222.376 2.251 20 0 BEADMP CC(C)(C)CCC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643065990 384580377 /nfs/dbraw/zinc/58/03/77/384580377.db2.gz JENPIFKLBFQMOD-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)(C)CCC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643065990 384580381 /nfs/dbraw/zinc/58/03/81/384580381.db2.gz JENPIFKLBFQMOD-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP C(C1CCCCC1)[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643065745 384580806 /nfs/dbraw/zinc/58/08/06/384580806.db2.gz FRZCFKWPZVTQNQ-KBPBESRZSA-N 2 1 222.376 2.251 20 0 BEADMP CC(C)COCC[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000315843990 384617432 /nfs/dbraw/zinc/61/74/32/384617432.db2.gz FTXRWCCOGYOQKM-RDBSUJKOSA-N 2 1 242.407 2.107 20 0 BEADMP CC(C)COCC[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000315843990 384617434 /nfs/dbraw/zinc/61/74/34/384617434.db2.gz FTXRWCCOGYOQKM-RDBSUJKOSA-N 2 1 242.407 2.107 20 0 BEADMP CCOc1ccccc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647531411 384618761 /nfs/dbraw/zinc/61/87/61/384618761.db2.gz UTXMOEZOAOYYLF-UHFFFAOYSA-N 2 1 248.370 2.399 20 0 BEADMP C[C@H]1CCC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000309769220 384595056 /nfs/dbraw/zinc/59/50/56/384595056.db2.gz KCHPGNKXHCYYBZ-GXTWGEPZSA-N 2 1 222.376 2.417 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)[C@@H](C)C1 ZINC000647357250 384644142 /nfs/dbraw/zinc/64/41/42/384644142.db2.gz ZOTMAKFBMAYVIM-JARUQAPTSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@H](C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)C(C)(C)C ZINC000647533983 384645587 /nfs/dbraw/zinc/64/55/87/384645587.db2.gz CZDJFDPZPMTZOZ-JHJVBQTASA-N 2 1 224.392 2.352 20 0 BEADMP Cc1cccc(CC[NH2+]C2CC[NH+](C)CC2)c1 ZINC000051668637 384677804 /nfs/dbraw/zinc/67/78/04/384677804.db2.gz VRNKEUXFFPQDMM-UHFFFAOYSA-N 2 1 232.371 2.221 20 0 BEADMP CC(C)C1([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000335911286 384678823 /nfs/dbraw/zinc/67/88/23/384678823.db2.gz IOMNDAUOESNFJA-NEPJUHHUSA-N 2 1 210.365 2.247 20 0 BEADMP CC(C)C1([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000335911286 384678831 /nfs/dbraw/zinc/67/88/31/384678831.db2.gz IOMNDAUOESNFJA-NEPJUHHUSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543428 384710534 /nfs/dbraw/zinc/71/05/34/384710534.db2.gz NFWZQPWIANTLLS-LXTVHRRPSA-N 2 1 236.403 2.354 20 0 BEADMP CC(C)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543251 384713242 /nfs/dbraw/zinc/71/32/42/384713242.db2.gz KAALCUQFAKAUCO-UONOGXRCSA-N 2 1 224.392 2.354 20 0 BEADMP CCC1CC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000310038773 384715238 /nfs/dbraw/zinc/71/52/38/384715238.db2.gz WKGRGCHJASXIPJ-HOAMVYINSA-N 2 1 222.376 2.391 20 0 BEADMP CCC1CC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000310038773 384715247 /nfs/dbraw/zinc/71/52/47/384715247.db2.gz WKGRGCHJASXIPJ-HOAMVYINSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@H]1CC[N@H+](CC[NH2+]CCC(C)(C)C)C1 ZINC000053389639 384718153 /nfs/dbraw/zinc/71/81/53/384718153.db2.gz YTGXXGDDMJOKTL-LBPRGKRZSA-N 2 1 212.381 2.354 20 0 BEADMP C[C@H]1CC[N@@H+](CC[NH2+]CCC(C)(C)C)C1 ZINC000053389639 384718159 /nfs/dbraw/zinc/71/81/59/384718159.db2.gz YTGXXGDDMJOKTL-LBPRGKRZSA-N 2 1 212.381 2.354 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000054081317 384731331 /nfs/dbraw/zinc/73/13/31/384731331.db2.gz AQVGAELORJIDAU-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCC12CCC2)C1CC1 ZINC000309967066 384743938 /nfs/dbraw/zinc/74/39/38/384743938.db2.gz NXFUZVNDZYRDMU-QWHCGFSZSA-N 2 1 222.376 2.249 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])Nc1ccccc1 ZINC000103338646 384762518 /nfs/dbraw/zinc/76/25/18/384762518.db2.gz SVNDJFPHKAEBEQ-GFCCVEGCSA-N 2 1 248.374 2.353 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]CC(C)C ZINC000308518833 384780238 /nfs/dbraw/zinc/78/02/38/384780238.db2.gz NXPBGJMGLBSGGJ-GFCCVEGCSA-N 2 1 200.370 2.352 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CC(C)C ZINC000308518833 384780246 /nfs/dbraw/zinc/78/02/46/384780246.db2.gz NXPBGJMGLBSGGJ-GFCCVEGCSA-N 2 1 200.370 2.352 20 0 BEADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CC2CCC(F)CC2)C1 ZINC000647553296 384769530 /nfs/dbraw/zinc/76/95/30/384769530.db2.gz QFZQPSFRGKIELP-WTIISPKJSA-N 2 1 228.355 2.102 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CC ZINC000308597523 384832034 /nfs/dbraw/zinc/83/20/34/384832034.db2.gz NDLSVNCCVRIARC-VXGBXAGGSA-N 2 1 200.370 2.495 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CC ZINC000308597523 384832040 /nfs/dbraw/zinc/83/20/40/384832040.db2.gz NDLSVNCCVRIARC-VXGBXAGGSA-N 2 1 200.370 2.495 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000423259492 384782785 /nfs/dbraw/zinc/78/27/85/384782785.db2.gz DXQAEZZBILPIRZ-AGIUHOORSA-N 2 1 210.365 2.138 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000107786850 384784485 /nfs/dbraw/zinc/78/44/85/384784485.db2.gz AJGCVWLEVXLQSQ-ZYHUDNBSSA-N 2 1 222.332 2.083 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000107786839 384785070 /nfs/dbraw/zinc/78/50/70/384785070.db2.gz AJGCVWLEVXLQSQ-JQWIXIFHSA-N 2 1 222.332 2.083 20 0 BEADMP CC[N@H+](CC[NH2+]C(C1CC1)C1CC1)C(C)C ZINC000053376354 384785236 /nfs/dbraw/zinc/78/52/36/384785236.db2.gz GFFJEQIQFFXYMK-UHFFFAOYSA-N 2 1 224.392 2.495 20 0 BEADMP CC[N@@H+](CC[NH2+]C(C1CC1)C1CC1)C(C)C ZINC000053376354 384785240 /nfs/dbraw/zinc/78/52/40/384785240.db2.gz GFFJEQIQFFXYMK-UHFFFAOYSA-N 2 1 224.392 2.495 20 0 BEADMP CN(Cc1ccco1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000104095915 384799103 /nfs/dbraw/zinc/79/91/03/384799103.db2.gz YQZLYXMGNWPJSJ-GFCCVEGCSA-N 2 1 222.332 2.053 20 0 BEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCSC)C1 ZINC000177035859 384848157 /nfs/dbraw/zinc/84/81/57/384848157.db2.gz YRGZUAKOJLENHZ-GFCCVEGCSA-N 2 1 230.421 2.013 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCSC)C1 ZINC000177035859 384848161 /nfs/dbraw/zinc/84/81/61/384848161.db2.gz YRGZUAKOJLENHZ-GFCCVEGCSA-N 2 1 230.421 2.013 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCSC)C1 ZINC000177035859 384848165 /nfs/dbraw/zinc/84/81/65/384848165.db2.gz YRGZUAKOJLENHZ-GFCCVEGCSA-N 2 1 230.421 2.013 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403676263 384850213 /nfs/dbraw/zinc/85/02/13/384850213.db2.gz PBWZYZUYTGOSHZ-TUVASFSCSA-N 2 1 236.403 2.354 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000104424498 384851031 /nfs/dbraw/zinc/85/10/31/384851031.db2.gz RFFOXKXUQRKNFZ-DZGCQCFKSA-N 2 1 232.371 2.288 20 0 BEADMP CCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127650895 384911149 /nfs/dbraw/zinc/91/11/49/384911149.db2.gz RQWSTZLWMOGRNF-CHWSQXEVSA-N 2 1 210.365 2.393 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(CC)OC)[C@H](C)C1 ZINC000449474814 384919998 /nfs/dbraw/zinc/91/99/98/384919998.db2.gz KJFNBGKITQRKFO-RDBSUJKOSA-N 2 1 242.407 2.121 20 0 BEADMP C[NH+](C)CCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000149264359 384924895 /nfs/dbraw/zinc/92/48/95/384924895.db2.gz UJSRKVNUTQHOBP-CQSZACIVSA-N 2 1 236.334 2.354 20 0 BEADMP CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)[C@H]1CCOC1 ZINC000336677886 384929270 /nfs/dbraw/zinc/92/92/70/384929270.db2.gz ACJJZFMAPUDDDQ-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)[C@@H]1CCOC1 ZINC000336677889 384930026 /nfs/dbraw/zinc/93/00/26/384930026.db2.gz ACJJZFMAPUDDDQ-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP CC[N@H+]1CC[C@H](CN[C@@H](C)c2ccoc2)C1 ZINC000087289884 384938940 /nfs/dbraw/zinc/93/89/40/384938940.db2.gz MFJGSSMDRUOYIC-NWDGAFQWSA-N 2 1 222.332 2.272 20 0 BEADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccoc2)C1 ZINC000087289884 384938945 /nfs/dbraw/zinc/93/89/45/384938945.db2.gz MFJGSSMDRUOYIC-NWDGAFQWSA-N 2 1 222.332 2.272 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccoc2)C1 ZINC000087289884 384938949 /nfs/dbraw/zinc/93/89/49/384938949.db2.gz MFJGSSMDRUOYIC-NWDGAFQWSA-N 2 1 222.332 2.272 20 0 BEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2(C)CC2)C1 ZINC000555595032 384940508 /nfs/dbraw/zinc/94/05/08/384940508.db2.gz AVXSIJCSDNLQQI-CYBMUJFWSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC2(C)CC2)C1 ZINC000555595032 384940514 /nfs/dbraw/zinc/94/05/14/384940514.db2.gz AVXSIJCSDNLQQI-CYBMUJFWSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCCCO2)[C@H]1CC[NH3+] ZINC000404281182 384966422 /nfs/dbraw/zinc/96/64/22/384966422.db2.gz FAWRGGXLJSPLQP-RDBSUJKOSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@H](C1CC1)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000226436283 385021142 /nfs/dbraw/zinc/02/11/42/385021142.db2.gz UXZYBFWGLBDNEC-VXGBXAGGSA-N 2 1 222.376 2.249 20 0 BEADMP Cc1cc(C)cc(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000036946452 384980325 /nfs/dbraw/zinc/98/03/25/384980325.db2.gz QMNBQCHBZLMAIO-UHFFFAOYSA-N 2 1 218.344 2.099 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CCC[NH2+]CC2)c1 ZINC000036946452 384980328 /nfs/dbraw/zinc/98/03/28/384980328.db2.gz QMNBQCHBZLMAIO-UHFFFAOYSA-N 2 1 218.344 2.099 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)s1 ZINC000050225606 384987798 /nfs/dbraw/zinc/98/77/98/384987798.db2.gz XDFPYVIBHICQNK-GXSJLCMTSA-N 2 1 224.373 2.368 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccoc1 ZINC000094868874 384987863 /nfs/dbraw/zinc/98/78/63/384987863.db2.gz JAJYPCRNVXSYEQ-NWDGAFQWSA-N 2 1 234.343 2.415 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccoc1 ZINC000094868874 384987867 /nfs/dbraw/zinc/98/78/67/384987867.db2.gz JAJYPCRNVXSYEQ-NWDGAFQWSA-N 2 1 234.343 2.415 20 0 BEADMP CC1(C)[C@H]([NH2+]Cc2cc(F)ccc2F)C[C@@H]1[NH3+] ZINC000404756188 385052370 /nfs/dbraw/zinc/05/23/70/385052370.db2.gz BKYKLJVGDCHPOU-NWDGAFQWSA-N 2 1 240.297 2.180 20 0 BEADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000404756190 385052970 /nfs/dbraw/zinc/05/29/70/385052970.db2.gz BKYKLJVGDCHPOU-RYUDHWBXSA-N 2 1 240.297 2.180 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000157085012 385062154 /nfs/dbraw/zinc/06/21/54/385062154.db2.gz MPFLJVRKQUVRSD-RISCZKNCSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000157085012 385062162 /nfs/dbraw/zinc/06/21/62/385062162.db2.gz MPFLJVRKQUVRSD-RISCZKNCSA-N 2 1 236.334 2.303 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000157116415 385078951 /nfs/dbraw/zinc/07/89/51/385078951.db2.gz XETDFYCGWJVXQD-GXSJLCMTSA-N 2 1 240.297 2.134 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000157116415 385078958 /nfs/dbraw/zinc/07/89/58/385078958.db2.gz XETDFYCGWJVXQD-GXSJLCMTSA-N 2 1 240.297 2.134 20 0 BEADMP CC[C@H](C)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397324447 385082495 /nfs/dbraw/zinc/08/24/95/385082495.db2.gz OFGFDTAYXTZXAB-CYDGBPFRSA-N 2 1 212.381 2.338 20 0 BEADMP Cc1ccc(CC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000334141481 385028201 /nfs/dbraw/zinc/02/82/01/385028201.db2.gz HMNOKLIRGOARLQ-JKSUJKDBSA-N 2 1 244.382 2.079 20 0 BEADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000404736412 385047030 /nfs/dbraw/zinc/04/70/30/385047030.db2.gz AACCIRFEWLLAKH-VXGBXAGGSA-N 2 1 240.297 2.180 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1F ZINC000227056809 385087033 /nfs/dbraw/zinc/08/70/33/385087033.db2.gz NBEMEEUMRNYEJA-SMDDNHRTSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1F ZINC000227056809 385087038 /nfs/dbraw/zinc/08/70/38/385087038.db2.gz NBEMEEUMRNYEJA-SMDDNHRTSA-N 2 1 236.334 2.303 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000090773016 385093933 /nfs/dbraw/zinc/09/39/33/385093933.db2.gz FOXCHWRXMNTXEQ-YRGRVCCFSA-N 2 1 236.403 2.495 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC1(C)C ZINC000308831014 385197039 /nfs/dbraw/zinc/19/70/39/385197039.db2.gz GFMIBBDQVVZFBF-RYUDHWBXSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC1(C)C ZINC000308831014 385197046 /nfs/dbraw/zinc/19/70/46/385197046.db2.gz GFMIBBDQVVZFBF-RYUDHWBXSA-N 2 1 212.381 2.493 20 0 BEADMP Cc1ccc(C[N@@H+](C)Cc2cncn2C)s1 ZINC000177044581 385171624 /nfs/dbraw/zinc/17/16/24/385171624.db2.gz BTBPPLKUUMRAAS-UHFFFAOYSA-N 2 1 235.356 2.422 20 0 BEADMP Cc1ccc(C[N@H+](C)Cc2cncn2C)s1 ZINC000177044581 385171631 /nfs/dbraw/zinc/17/16/31/385171631.db2.gz BTBPPLKUUMRAAS-UHFFFAOYSA-N 2 1 235.356 2.422 20 0 BEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1(C)CC1 ZINC000336762970 385175420 /nfs/dbraw/zinc/17/54/20/385175420.db2.gz ONSGARBCBUNADC-LLVKDONJSA-N 2 1 208.349 2.027 20 0 BEADMP CCSCC[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000152814087 385214595 /nfs/dbraw/zinc/21/45/95/385214595.db2.gz FKBSUPVLLXERES-NSHDSACASA-N 2 1 230.421 2.202 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000300987394 385221519 /nfs/dbraw/zinc/22/15/19/385221519.db2.gz VBERXDRECRSPLG-MELADBBJSA-N 2 1 224.392 2.352 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000300986632 385221941 /nfs/dbraw/zinc/22/19/41/385221941.db2.gz UXKYYFSLGMFCAQ-QWHCGFSZSA-N 2 1 212.381 2.339 20 0 BEADMP CCSCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000300990033 385223334 /nfs/dbraw/zinc/22/33/34/385223334.db2.gz VSZFFQNMZRHCCS-FRRDWIJNSA-N 2 1 244.448 2.448 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC1(C)C ZINC000308873334 385240006 /nfs/dbraw/zinc/24/00/06/385240006.db2.gz ZURZPKZXFJLBGB-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC1(C)C ZINC000308873334 385240010 /nfs/dbraw/zinc/24/00/10/385240010.db2.gz ZURZPKZXFJLBGB-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H](CC1CC1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000308875313 385241387 /nfs/dbraw/zinc/24/13/87/385241387.db2.gz SCDHGTOLXHYREZ-LLVKDONJSA-N 2 1 208.349 2.027 20 0 BEADMP CCc1ccc(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000422762164 385250844 /nfs/dbraw/zinc/25/08/44/385250844.db2.gz RXHGFKPVLHWMPP-BBRMVZONSA-N 2 1 246.398 2.379 20 0 BEADMP CC[C@H]1CC[C@H]1[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000309209272 385204382 /nfs/dbraw/zinc/20/43/82/385204382.db2.gz SOUJZLGOIYEMLP-FRRDWIJNSA-N 2 1 212.381 2.495 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccs2)CC1 ZINC000308953673 385307387 /nfs/dbraw/zinc/30/73/87/385307387.db2.gz PVNXRODZBSOEBO-UHFFFAOYSA-N 2 1 222.357 2.100 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000044529436 385309315 /nfs/dbraw/zinc/30/93/15/385309315.db2.gz DZPCSYAGAXXUTP-LWUPOJRFSA-N 2 1 230.355 2.371 20 0 BEADMP CC[C@H]1CCC[C@@H](C[N@H+]2CCCNCC2)C1 ZINC000346679776 385258508 /nfs/dbraw/zinc/25/85/08/385258508.db2.gz ATFAJTWAGNAPFJ-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCCCCF ZINC000308924207 385295779 /nfs/dbraw/zinc/29/57/79/385295779.db2.gz LOJSPZWQFJRIIT-LBPRGKRZSA-N 2 1 218.360 2.431 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000309072620 385404015 /nfs/dbraw/zinc/40/40/15/385404015.db2.gz GFMIBBDQVVZFBF-VXGBXAGGSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000309072620 385404019 /nfs/dbraw/zinc/40/40/19/385404019.db2.gz GFMIBBDQVVZFBF-VXGBXAGGSA-N 2 1 212.381 2.493 20 0 BEADMP CCC1CC([NH2+]C[C@@H](C)[NH+](CC)CC)C1 ZINC000309098262 385407914 /nfs/dbraw/zinc/40/79/14/385407914.db2.gz FSCZZZWOVQNJTG-PNESKVBLSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CC(CC)C1 ZINC000309166280 385446672 /nfs/dbraw/zinc/44/66/72/385446672.db2.gz JCJJFCCBSAWSOR-HIFPTAJRSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CC(CC)C1 ZINC000309166280 385446676 /nfs/dbraw/zinc/44/66/76/385446676.db2.gz JCJJFCCBSAWSOR-HIFPTAJRSA-N 2 1 212.381 2.495 20 0 BEADMP CCC1CC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000309176627 385451052 /nfs/dbraw/zinc/45/10/52/385451052.db2.gz MXTLLXBUADMFJA-GMKTYKIGSA-N 2 1 210.365 2.247 20 0 BEADMP CCC1CC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000309176627 385451056 /nfs/dbraw/zinc/45/10/56/385451056.db2.gz MXTLLXBUADMFJA-GMKTYKIGSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)C1CCCC1 ZINC000054078154 385452044 /nfs/dbraw/zinc/45/20/44/385452044.db2.gz YWMMIBQTBKDKCG-NSHDSACASA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1C ZINC000309130671 385431628 /nfs/dbraw/zinc/43/16/28/385431628.db2.gz XUKGIPBJGZGTAK-YNEHKIRRSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1C ZINC000309130671 385431630 /nfs/dbraw/zinc/43/16/30/385431630.db2.gz XUKGIPBJGZGTAK-YNEHKIRRSA-N 2 1 212.381 2.493 20 0 BEADMP CCC1CC([NH2+]C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC000309202542 385477556 /nfs/dbraw/zinc/47/75/56/385477556.db2.gz RPGXJBIYJUMHMC-CPCZMJQVSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H](F)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334219517 385520520 /nfs/dbraw/zinc/52/05/20/385520520.db2.gz FUJHWHWWFBNTFR-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[C@@H](F)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334219517 385520523 /nfs/dbraw/zinc/52/05/23/385520523.db2.gz FUJHWHWWFBNTFR-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[C@@H](F)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000334219517 385520526 /nfs/dbraw/zinc/52/05/26/385520526.db2.gz FUJHWHWWFBNTFR-OLZOCXBDSA-N 2 1 228.355 2.152 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)[C@H]1C ZINC000336650100 385602736 /nfs/dbraw/zinc/60/27/36/385602736.db2.gz DLMNUWGYZLETME-UHXUPSOCSA-N 2 1 222.376 2.105 20 0 BEADMP CC(C)=CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000309453287 385585245 /nfs/dbraw/zinc/58/52/45/385585245.db2.gz LRSCGKMXJPJZFR-MJBXVCDLSA-N 2 1 222.376 2.415 20 0 BEADMP CC(C)[C@@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000063074015 385591062 /nfs/dbraw/zinc/59/10/62/385591062.db2.gz UITHOBHIOCPKQR-GFCCVEGCSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)[C@@H](C)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000063074015 385591064 /nfs/dbraw/zinc/59/10/64/385591064.db2.gz UITHOBHIOCPKQR-GFCCVEGCSA-N 2 1 212.381 2.495 20 0 BEADMP Cc1[nH]c2nc[nH+]c(N[C@@H](C)C[C@@H](C)[NH3+])c2c1C ZINC000647711442 385613960 /nfs/dbraw/zinc/61/39/60/385613960.db2.gz SFVRAKSUCUEYKL-SFYZADRCSA-N 2 1 247.346 2.112 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1C ZINC000336678959 385621603 /nfs/dbraw/zinc/62/16/03/385621603.db2.gz QRNIFRRBNOFACW-UHIISALHSA-N 2 1 222.376 2.247 20 0 BEADMP C[NH+](C)C1(C[NH2+]CC2(C)CC2)CCCC1 ZINC000380342363 385657775 /nfs/dbraw/zinc/65/77/75/385657775.db2.gz RZKWWYPQAIROFE-UHFFFAOYSA-N 2 1 210.365 2.251 20 0 BEADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(F)cc1 ZINC000414853443 385688465 /nfs/dbraw/zinc/68/84/65/385688465.db2.gz SNECFYFRXFTBLG-ZDUSSCGKSA-N 2 1 224.323 2.289 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CC1CCOCC1 ZINC000414854165 385693611 /nfs/dbraw/zinc/69/36/11/385693611.db2.gz UODHHMAGSDLUBW-GXTWGEPZSA-N 2 1 242.407 2.155 20 0 BEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CCCC1 ZINC000309557243 385695819 /nfs/dbraw/zinc/69/58/19/385695819.db2.gz KAJZLLIYAXEAKU-LBPRGKRZSA-N 2 1 222.376 2.417 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2cccnc2)CCCCCC1 ZINC000414857708 385731822 /nfs/dbraw/zinc/73/18/22/385731822.db2.gz FISVUPQBAXNQNH-UHFFFAOYSA-N 2 1 233.359 2.223 20 0 BEADMP CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185709281 385735878 /nfs/dbraw/zinc/73/58/78/385735878.db2.gz AGFMLAUXFKWXCB-NEPJUHHUSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)CSCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000309608940 385739986 /nfs/dbraw/zinc/73/99/86/385739986.db2.gz MBKQQQBOXFRGLF-OLZOCXBDSA-N 2 1 244.448 2.448 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)CC ZINC000336654832 385740809 /nfs/dbraw/zinc/74/08/09/385740809.db2.gz NDLSVNCCVRIARC-NEPJUHHUSA-N 2 1 200.370 2.495 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CC ZINC000336654832 385740812 /nfs/dbraw/zinc/74/08/12/385740812.db2.gz NDLSVNCCVRIARC-NEPJUHHUSA-N 2 1 200.370 2.495 20 0 BEADMP C1CC1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000414862704 385752817 /nfs/dbraw/zinc/75/28/17/385752817.db2.gz HLQWSKKLQKDFLP-MGPQQGTHSA-N 2 1 222.376 2.297 20 0 BEADMP [NH3+][C@H]1CCC[N@H+](CCCOCc2ccccc2)C1 ZINC000336698005 385754422 /nfs/dbraw/zinc/75/44/22/385754422.db2.gz BUQYZXXJSSWLOW-HNNXBMFYSA-N 2 1 248.370 2.016 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+](CCCOCc2ccccc2)C1 ZINC000336698005 385754427 /nfs/dbraw/zinc/75/44/27/385754427.db2.gz BUQYZXXJSSWLOW-HNNXBMFYSA-N 2 1 248.370 2.016 20 0 BEADMP CC[N@H+](CCC[NH+](C)C)Cc1cccc(O)c1 ZINC000230744771 385754579 /nfs/dbraw/zinc/75/45/79/385754579.db2.gz OVIBIAXHKKPFRI-UHFFFAOYSA-N 2 1 236.359 2.166 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(O)c1 ZINC000230744771 385754581 /nfs/dbraw/zinc/75/45/81/385754581.db2.gz OVIBIAXHKKPFRI-UHFFFAOYSA-N 2 1 236.359 2.166 20 0 BEADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000414863590 385758266 /nfs/dbraw/zinc/75/82/66/385758266.db2.gz AWZGLOGTAUOUEN-GJZGRUSLSA-N 2 1 232.371 2.268 20 0 BEADMP CC[NH+](CC)CCSCCn1cc[nH+]c1C ZINC000270969212 385764432 /nfs/dbraw/zinc/76/44/32/385764432.db2.gz SPXKSSOAYQTOHJ-UHFFFAOYSA-N 2 1 241.404 2.267 20 0 BEADMP CC(C)[C@@H](C[NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000414866528 385781009 /nfs/dbraw/zinc/78/10/09/385781009.db2.gz FITSDYZSLWXBIL-LSDHHAIUSA-N 2 1 232.371 2.378 20 0 BEADMP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000052334406 385726194 /nfs/dbraw/zinc/72/61/94/385726194.db2.gz KOJHNAHKRIHGGB-AAEUAGOBSA-N 2 1 210.365 2.297 20 0 BEADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccccn2)C1 ZINC000355902352 385798942 /nfs/dbraw/zinc/79/89/42/385798942.db2.gz DAUVNEYJCPVYDS-ZIAGYGMSSA-N 2 1 247.386 2.416 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccccn2)C1 ZINC000355902352 385798946 /nfs/dbraw/zinc/79/89/46/385798946.db2.gz DAUVNEYJCPVYDS-ZIAGYGMSSA-N 2 1 247.386 2.416 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC000355902352 385798949 /nfs/dbraw/zinc/79/89/49/385798949.db2.gz DAUVNEYJCPVYDS-ZIAGYGMSSA-N 2 1 247.386 2.416 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2ccccn2)C1 ZINC000355902352 385798950 /nfs/dbraw/zinc/79/89/50/385798950.db2.gz DAUVNEYJCPVYDS-ZIAGYGMSSA-N 2 1 247.386 2.416 20 0 BEADMP CCOc1ccccc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414947918 385804895 /nfs/dbraw/zinc/80/48/95/385804895.db2.gz LLUGOVBGOYHMQU-GXTWGEPZSA-N 2 1 248.370 2.315 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000414948233 385807586 /nfs/dbraw/zinc/80/75/86/385807586.db2.gz WVVWQLLBLZFKTA-YUTCNCBUSA-N 2 1 218.344 2.260 20 0 BEADMP CC[C@H](C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)OC ZINC000412977223 385823338 /nfs/dbraw/zinc/82/33/38/385823338.db2.gz LBLIFVUXXYPOTP-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP CC[C@H](C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)OC ZINC000412977223 385823341 /nfs/dbraw/zinc/82/33/41/385823341.db2.gz LBLIFVUXXYPOTP-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP CC[C@H](C[NH+](C)CC[C@H]1CCCC[N@H+]1C)OC ZINC000412977223 385823344 /nfs/dbraw/zinc/82/33/44/385823344.db2.gz LBLIFVUXXYPOTP-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP C[C@H]([NH2+]C1(c2ccccc2F)CCC1)C1C[NH2+]C1 ZINC000647802034 385834033 /nfs/dbraw/zinc/83/40/33/385834033.db2.gz BZQXGPRMKHGITI-NSHDSACASA-N 2 1 248.345 2.402 20 0 BEADMP CC(C)C[C@H](C)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000414954467 385835967 /nfs/dbraw/zinc/83/59/67/385835967.db2.gz NATYVSRBNCZNOV-YNEHKIRRSA-N 2 1 212.381 2.399 20 0 BEADMP Cc1ccncc1[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000271587650 385839839 /nfs/dbraw/zinc/83/98/39/385839839.db2.gz SJMOEHIWQQODKJ-OLZOCXBDSA-N 2 1 235.375 2.381 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CCC(F)CC1 ZINC000647804153 385841473 /nfs/dbraw/zinc/84/14/73/385841473.db2.gz KNNSCTACUVQZSB-XVSSEFHLSA-N 2 1 228.355 2.102 20 0 BEADMP CCC1CC([NH2+]C2CC[NH+](CC)CC2)C1 ZINC000336720979 385889410 /nfs/dbraw/zinc/88/94/10/385889410.db2.gz DFYZHMKKXGHDOL-UHFFFAOYSA-N 2 1 210.365 2.249 20 0 BEADMP C[N@@H+](CCC[NH3+])[C@H]1CCc2ccc(F)cc21 ZINC000647848136 385898901 /nfs/dbraw/zinc/89/89/01/385898901.db2.gz GWYUJSAEMWXGHA-ZDUSSCGKSA-N 2 1 222.307 2.094 20 0 BEADMP C[N@@H+](CCC[NH3+])CCCc1cccc(F)c1 ZINC000647847672 385899127 /nfs/dbraw/zinc/89/91/27/385899127.db2.gz ZGJASXKJYYDNEO-UHFFFAOYSA-N 2 1 224.323 2.039 20 0 BEADMP Cc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1F ZINC000291718252 385903170 /nfs/dbraw/zinc/90/31/70/385903170.db2.gz METKFPRIBFABCS-LLVKDONJSA-N 2 1 238.350 2.421 20 0 BEADMP Cc1ccc(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)o1 ZINC000272544119 385910254 /nfs/dbraw/zinc/91/02/54/385910254.db2.gz CGCXPEIMNBVDPR-OCCSQVGLSA-N 2 1 234.343 2.114 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]3CCN(C)C[C@@H]32)o1 ZINC000272544119 385910259 /nfs/dbraw/zinc/91/02/59/385910259.db2.gz CGCXPEIMNBVDPR-OCCSQVGLSA-N 2 1 234.343 2.114 20 0 BEADMP CC[C@H]1CC[C@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000336742133 385927663 /nfs/dbraw/zinc/92/76/63/385927663.db2.gz WKTZTEFNQWJFBE-WCQYABFASA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cncc(F)c1 ZINC000335037461 385927759 /nfs/dbraw/zinc/92/77/59/385927759.db2.gz IIVFTBQFOBVMAN-ZWNOBZJWSA-N 2 1 237.322 2.013 20 0 BEADMP c1ccc([C@@H]2C[C@H]2C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000414872705 385868436 /nfs/dbraw/zinc/86/84/36/385868436.db2.gz WUXJRWGYQXNABD-KKUMJFAQSA-N 2 1 230.355 2.132 20 0 BEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000414135918 385984898 /nfs/dbraw/zinc/98/48/98/385984898.db2.gz FCBGWSRJXZPIAM-SYQHCUMBSA-N 2 1 240.391 2.015 20 0 BEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000414135918 385984903 /nfs/dbraw/zinc/98/49/03/385984903.db2.gz FCBGWSRJXZPIAM-SYQHCUMBSA-N 2 1 240.391 2.015 20 0 BEADMP C[C@@H](C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)c1ccccc1 ZINC000221384874 385992782 /nfs/dbraw/zinc/99/27/82/385992782.db2.gz BPEARXPZHJYSQB-CWRNSKLLSA-N 2 1 244.382 2.474 20 0 BEADMP C[C@@H](C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)c1ccccc1 ZINC000221384874 385992788 /nfs/dbraw/zinc/99/27/88/385992788.db2.gz BPEARXPZHJYSQB-CWRNSKLLSA-N 2 1 244.382 2.474 20 0 BEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccsc1 ZINC000335040563 385933690 /nfs/dbraw/zinc/93/36/90/385933690.db2.gz RPZIPYQOJUHAIK-VXGBXAGGSA-N 2 1 224.373 2.498 20 0 BEADMP Cc1ncsc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000335043799 385936524 /nfs/dbraw/zinc/93/65/24/385936524.db2.gz WZEIHBSLWROPNX-MNOVXSKESA-N 2 1 239.388 2.201 20 0 BEADMP C[NH+](C)CCC[NH2+]Cc1ccc2occc2c1 ZINC000285516749 385937578 /nfs/dbraw/zinc/93/75/78/385937578.db2.gz RJIRXVRARLRQNA-UHFFFAOYSA-N 2 1 232.327 2.474 20 0 BEADMP CC[C@@H](C)C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414879514 385939481 /nfs/dbraw/zinc/93/94/81/385939481.db2.gz OVVJHXDQUJJHKZ-CYBMUJFWSA-N 2 1 235.375 2.197 20 0 BEADMP Cc1ccc(C[NH+]2CCC(C)([NH3+])CC2)c(C)n1 ZINC000647924339 385943191 /nfs/dbraw/zinc/94/31/91/385943191.db2.gz ZKJWWRPLGVPIMW-UHFFFAOYSA-N 2 1 233.359 2.012 20 0 BEADMP COc1ccc(C)cc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414968809 385944969 /nfs/dbraw/zinc/94/49/69/385944969.db2.gz YMGCTIDQYKSADK-TZMCWYRMSA-N 2 1 248.370 2.091 20 0 BEADMP CC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000335049091 385946356 /nfs/dbraw/zinc/94/63/56/385946356.db2.gz HOAKJVTVKODEGI-QWHCGFSZSA-N 2 1 204.317 2.089 20 0 BEADMP CC[NH+](CC)CCSC[C@H]1CC[N@@H+](C)C1 ZINC000187690454 134477061 /nfs/dbraw/zinc/47/70/61/134477061.db2.gz NUILRHXYZKYIHZ-LBPRGKRZSA-N 2 1 230.421 2.013 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](C/C=C\Cl)C[C@H]1C[NH3+] ZINC000397245509 385954619 /nfs/dbraw/zinc/95/46/19/385954619.db2.gz AQJLGTGIJXHSEB-HITJCYSQSA-N 2 1 216.756 2.044 20 0 BEADMP [NH3+]C1(C[NH2+]C/C=C\c2ccc(F)cc2)CCC1 ZINC000414881698 385998285 /nfs/dbraw/zinc/99/82/85/385998285.db2.gz SOSVAGNPHNIWHJ-IWQZZHSRSA-N 2 1 234.318 2.310 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000414882047 386003810 /nfs/dbraw/zinc/00/38/10/386003810.db2.gz LVOQYWONSFTLSS-DYEKYZERSA-N 2 1 218.344 2.130 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1cccc(C)c1C ZINC000414974294 386008840 /nfs/dbraw/zinc/00/88/40/386008840.db2.gz DIWNGZFTDVAPMQ-ZDUSSCGKSA-N 2 1 206.333 2.130 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000414974649 386011088 /nfs/dbraw/zinc/01/10/88/386011088.db2.gz DVDOSKUXMADMGC-JTQLQIEISA-N 2 1 242.750 2.176 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(C)c(C)c1 ZINC000414975720 386021365 /nfs/dbraw/zinc/02/13/65/386021365.db2.gz GWIAZKCOLDACAI-CYBMUJFWSA-N 2 1 206.333 2.130 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+]C1Cc2ccccc2C1 ZINC000221920888 386026307 /nfs/dbraw/zinc/02/63/07/386026307.db2.gz KTQBCZQVMYDWCA-UHFFFAOYSA-N 2 1 246.398 2.474 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1coc2ccccc12 ZINC000414977032 386028377 /nfs/dbraw/zinc/02/83/77/386028377.db2.gz JJZSNQVRQNRYEY-LLVKDONJSA-N 2 1 218.300 2.260 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000414977773 386036322 /nfs/dbraw/zinc/03/63/22/386036322.db2.gz KVBFWJGGPUMFNO-CYBMUJFWSA-N 2 1 236.359 2.301 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000414883789 386036894 /nfs/dbraw/zinc/03/68/94/386036894.db2.gz DOTSREYMHRSYNQ-FVCCEPFGSA-N 2 1 210.365 2.153 20 0 BEADMP CCCOc1cccc(C[NH2+]C[C@H]([NH3+])CC)c1 ZINC000414979393 386042193 /nfs/dbraw/zinc/04/21/93/386042193.db2.gz NWGPTGFZTMFVBJ-CYBMUJFWSA-N 2 1 236.359 2.302 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000414163026 386045079 /nfs/dbraw/zinc/04/50/79/386045079.db2.gz MSPMAYHEFDVXMZ-YIYPIFLZSA-N 2 1 224.392 2.495 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000414163026 386045088 /nfs/dbraw/zinc/04/50/88/386045088.db2.gz MSPMAYHEFDVXMZ-YIYPIFLZSA-N 2 1 224.392 2.495 20 0 BEADMP c1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414884754 386047515 /nfs/dbraw/zinc/04/75/15/386047515.db2.gz OPINMGUHHSZUAD-KKUMJFAQSA-N 2 1 230.355 2.274 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000414164631 386048374 /nfs/dbraw/zinc/04/83/74/386048374.db2.gz BAHKDCPKVUCVRU-RFQIPJPRSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000414164631 386048376 /nfs/dbraw/zinc/04/83/76/386048376.db2.gz BAHKDCPKVUCVRU-RFQIPJPRSA-N 2 1 224.392 2.493 20 0 BEADMP C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000414881624 385996562 /nfs/dbraw/zinc/99/65/62/385996562.db2.gz LEMGKGIQCSBGBA-OAGGEKHMSA-N 2 1 244.382 2.448 20 0 BEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCc1ccccc1 ZINC000075994430 386106964 /nfs/dbraw/zinc/10/69/64/386106964.db2.gz YJWIRUBFRWBOLU-HNNXBMFYSA-N 2 1 232.371 2.432 20 0 BEADMP CCc1cc(OC)ccc1C[NH2+]C[C@H]([NH3+])CC ZINC000414987129 386109616 /nfs/dbraw/zinc/10/96/16/386109616.db2.gz KGYZDAJUNFXUIM-CYBMUJFWSA-N 2 1 236.359 2.085 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414665778 386113851 /nfs/dbraw/zinc/11/38/51/386113851.db2.gz VXUYPEYEBPPIFM-OEAJRASXSA-N 2 1 244.382 2.459 20 0 BEADMP COCC[C@H](C)[NH2+]CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000345207508 386060104 /nfs/dbraw/zinc/06/01/04/386060104.db2.gz KXWSPQJEBJXKCR-IHRRRGAJSA-N 2 1 242.407 2.264 20 0 BEADMP COCC[C@H](C)[NH2+]CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000345207506 386061249 /nfs/dbraw/zinc/06/12/49/386061249.db2.gz KXWSPQJEBJXKCR-BFHYXJOUSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@H]1CC[C@@H]1[NH2+]CCC[N@@H+](C)C(C)C ZINC000336771831 386063105 /nfs/dbraw/zinc/06/31/05/386063105.db2.gz WZUVBHZLWLONQL-STQMWFEESA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H]1C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)CC[C@H]1[NH3+] ZINC000414653879 386072180 /nfs/dbraw/zinc/07/21/80/386072180.db2.gz FIAUZWUGQSRHIK-QCEMKRCNSA-N 2 1 244.382 2.459 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC2(C)C)[C@@H]2CCC[C@@H]21 ZINC000414217390 386074014 /nfs/dbraw/zinc/07/40/14/386074014.db2.gz CCSCJFYWAXFXHA-CYDGBPFRSA-N 2 1 222.376 2.247 20 0 BEADMP C[NH+](C)C1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000335107019 386084396 /nfs/dbraw/zinc/08/43/96/386084396.db2.gz HLVKSTHAOVHBJT-LLVKDONJSA-N 2 1 246.345 2.448 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCCC[C@H]1F ZINC000414280085 386091480 /nfs/dbraw/zinc/09/14/80/386091480.db2.gz BYRGRJHGFINFQL-FDYHWXHSSA-N 2 1 228.355 2.197 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCCC[C@H]1F ZINC000414280085 386091484 /nfs/dbraw/zinc/09/14/84/386091484.db2.gz BYRGRJHGFINFQL-FDYHWXHSSA-N 2 1 228.355 2.197 20 0 BEADMP c1cc([C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)cs1 ZINC000647876880 386144883 /nfs/dbraw/zinc/14/48/83/386144883.db2.gz BXBJEKIIYMAPCX-AAEUAGOBSA-N 2 1 236.384 2.495 20 0 BEADMP C([C@@H]1CC[NH2+]C1)[N@@H+](C1CC1)C1CCCCC1 ZINC000647877160 386145650 /nfs/dbraw/zinc/14/56/50/386145650.db2.gz JYQDGXAQWQTIFW-GFCCVEGCSA-N 2 1 222.376 2.393 20 0 BEADMP CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000414892307 386151443 /nfs/dbraw/zinc/15/14/43/386151443.db2.gz XZSSXLIDONXXAI-GJZGRUSLSA-N 2 1 232.371 2.349 20 0 BEADMP CC(C)[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000414677462 386157418 /nfs/dbraw/zinc/15/74/18/386157418.db2.gz OVADFTHQSJGXPT-RYUDHWBXSA-N 2 1 210.365 2.247 20 0 BEADMP FC1(F)CC[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000310213233 386164516 /nfs/dbraw/zinc/16/45/16/386164516.db2.gz CVRVVEMPKTYPIP-QJPTWQEYSA-N 2 1 244.329 2.106 20 0 BEADMP FC1(F)CC[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000310213233 386164520 /nfs/dbraw/zinc/16/45/20/386164520.db2.gz CVRVVEMPKTYPIP-QJPTWQEYSA-N 2 1 244.329 2.106 20 0 BEADMP COc1ccccc1C[C@H]1CCC[N@H+]1CCC[NH3+] ZINC000414683807 386167511 /nfs/dbraw/zinc/16/75/11/386167511.db2.gz BXTRAVWZWYWANS-CQSZACIVSA-N 2 1 248.370 2.051 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@H](C)C1 ZINC000414335088 386127686 /nfs/dbraw/zinc/12/76/86/386127686.db2.gz IZMKKGFLGZRAAZ-AAVRWANBSA-N 2 1 248.370 2.455 20 0 BEADMP [NH3+]CCC[N@H+]1CCC[C@H]1c1ccsc1 ZINC000414670355 386135027 /nfs/dbraw/zinc/13/50/27/386135027.db2.gz DBMPHTQXLYFYJT-NSHDSACASA-N 2 1 210.346 2.234 20 0 BEADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647874410 386136432 /nfs/dbraw/zinc/13/64/32/386136432.db2.gz RZFCFJDUKODIBQ-VXGBXAGGSA-N 2 1 236.334 2.428 20 0 BEADMP C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000414891227 386137663 /nfs/dbraw/zinc/13/76/63/386137663.db2.gz WDPVIWZQWFBHOE-RISCZKNCSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414891228 386138022 /nfs/dbraw/zinc/13/80/22/386138022.db2.gz WDPVIWZQWFBHOE-SMDDNHRTSA-N 2 1 236.334 2.098 20 0 BEADMP c1csc([C@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647872812 386141322 /nfs/dbraw/zinc/14/13/22/386141322.db2.gz WXSJDKSHDPPKIF-NWDGAFQWSA-N 2 1 236.384 2.495 20 0 BEADMP CCCC[N@@H+](CCOC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414701167 386202860 /nfs/dbraw/zinc/20/28/60/386202860.db2.gz UBNVRQYRPRSPKU-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CC[C@H](C)[C@@H](C)[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647884521 386259458 /nfs/dbraw/zinc/25/94/58/386259458.db2.gz ZECYVXSBODGPAU-XQQFMLRXSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H](c1ccccn1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414702607 386211258 /nfs/dbraw/zinc/21/12/58/386211258.db2.gz ICUZAHJLTBWGLW-RDBSUJKOSA-N 2 1 247.386 2.463 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000131677920 386214890 /nfs/dbraw/zinc/21/48/90/386214890.db2.gz DJCRXGQGHNOFAK-KBPBESRZSA-N 2 1 232.371 2.473 20 0 BEADMP CC(C)Oc1cccc(C[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000414897852 386216452 /nfs/dbraw/zinc/21/64/52/386216452.db2.gz SEDJICRPSYTKAR-HNNXBMFYSA-N 2 1 248.370 2.301 20 0 BEADMP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCC[NH3+] ZINC000414707109 386217033 /nfs/dbraw/zinc/21/70/33/386217033.db2.gz PBKJOHPPOVUFOY-AAEUAGOBSA-N 2 1 236.334 2.352 20 0 BEADMP CC(C)Oc1cccc(C[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000414897853 386217814 /nfs/dbraw/zinc/21/78/14/386217814.db2.gz SEDJICRPSYTKAR-OAHLLOKOSA-N 2 1 248.370 2.301 20 0 BEADMP C[C@H](c1cccnc1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414709935 386224799 /nfs/dbraw/zinc/22/47/99/386224799.db2.gz KPFWMLQJVYFAOH-MCIONIFRSA-N 2 1 247.386 2.463 20 0 BEADMP c1cncc([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)c1 ZINC000132292356 386228434 /nfs/dbraw/zinc/22/84/34/386228434.db2.gz JQXKFWINMCNHOS-HNNXBMFYSA-N 2 1 245.370 2.218 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000347117885 386235235 /nfs/dbraw/zinc/23/52/35/386235235.db2.gz XJEVGUDEFHDUBC-SFAKSCPVSA-N 2 1 248.345 2.380 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000347117885 386235240 /nfs/dbraw/zinc/23/52/40/386235240.db2.gz XJEVGUDEFHDUBC-SFAKSCPVSA-N 2 1 248.345 2.380 20 0 BEADMP C[C@@H]([NH2+]C/C=C\c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000415002053 386237233 /nfs/dbraw/zinc/23/72/33/386237233.db2.gz DEWLOWZHRGLKPA-CBZSPVTBSA-N 2 1 222.307 2.164 20 0 BEADMP C[C@H]1SCC[N@@H+](CCC2CC[NH2+]CC2)[C@H]1C ZINC000132526265 386241651 /nfs/dbraw/zinc/24/16/51/386241651.db2.gz YPQKENNBTPTURS-NWDGAFQWSA-N 2 1 242.432 2.202 20 0 BEADMP Cc1ccccc1[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647883913 386245727 /nfs/dbraw/zinc/24/57/27/386245727.db2.gz JQPHPGOPQQYECN-LSDHHAIUSA-N 2 1 244.382 2.394 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCOC ZINC000336730504 386247631 /nfs/dbraw/zinc/24/76/31/386247631.db2.gz IJAOPMOGTVRULG-STQMWFEESA-N 2 1 230.396 2.121 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCOC ZINC000336730504 386247632 /nfs/dbraw/zinc/24/76/32/386247632.db2.gz IJAOPMOGTVRULG-STQMWFEESA-N 2 1 230.396 2.121 20 0 BEADMP CC[C@H]1c2ccsc2CC[N@@H+]1CCC[NH3+] ZINC000414693061 386194320 /nfs/dbraw/zinc/19/43/20/386194320.db2.gz BRHOZABJBBNCPC-NSHDSACASA-N 2 1 224.373 2.406 20 0 BEADMP C(C1CCCCC1)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000133252629 386288772 /nfs/dbraw/zinc/28/87/72/386288772.db2.gz ILXMOHLQWSZBCA-KGLIPLIRSA-N 2 1 222.376 2.393 20 0 BEADMP Cc1ccc(C[C@@H](C)[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000647886089 386294473 /nfs/dbraw/zinc/29/44/73/386294473.db2.gz PZSZCUFLZUATQV-GDBMZVCRSA-N 2 1 246.398 2.467 20 0 BEADMP CCC[C@@]1(C)CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647886118 386294615 /nfs/dbraw/zinc/29/46/15/386294615.db2.gz XKWLNKGAINCQJF-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP [NH3+][C@@H](C[NH2+]Cc1ccc(Cl)cc1)C1CC1 ZINC000414901096 386298679 /nfs/dbraw/zinc/29/86/79/386298679.db2.gz WULPTHODZBBGBG-LBPRGKRZSA-N 2 1 224.735 2.167 20 0 BEADMP C[C@@H]1c2ccc(F)cc2CC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647886655 386299348 /nfs/dbraw/zinc/29/93/48/386299348.db2.gz FZFWJYMTYPJIAP-VXGBXAGGSA-N 2 1 248.345 2.354 20 0 BEADMP C[C@@H]1c2ccc(F)cc2CC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647886655 386299353 /nfs/dbraw/zinc/29/93/53/386299353.db2.gz FZFWJYMTYPJIAP-VXGBXAGGSA-N 2 1 248.345 2.354 20 0 BEADMP Cc1ccc(F)cc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000335260639 386318890 /nfs/dbraw/zinc/31/88/90/386318890.db2.gz NRWBONLFXOLAOE-BXUZGUMPSA-N 2 1 236.334 2.364 20 0 BEADMP C[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647884443 386263408 /nfs/dbraw/zinc/26/34/08/386263408.db2.gz QKNNKCOMESBINQ-CHWSQXEVSA-N 2 1 230.355 2.215 20 0 BEADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@H](C)[NH3+])cc1 ZINC000336170484 386273391 /nfs/dbraw/zinc/27/33/91/386273391.db2.gz HAGMMNDSWCRZMA-JSGCOSHPSA-N 2 1 218.344 2.479 20 0 BEADMP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H](C)[NH3+])cc1 ZINC000336170484 386273397 /nfs/dbraw/zinc/27/33/97/386273397.db2.gz HAGMMNDSWCRZMA-JSGCOSHPSA-N 2 1 218.344 2.479 20 0 BEADMP CC(C)C[C@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647888169 386340912 /nfs/dbraw/zinc/34/09/12/386340912.db2.gz VEMHKBDLASNELL-ZIAGYGMSSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H](C)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335277588 386343954 /nfs/dbraw/zinc/34/39/54/386343954.db2.gz JSLPTMVEBFTWFR-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H]1Cc2ccccc2C[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647989241 386348331 /nfs/dbraw/zinc/34/83/31/386348331.db2.gz ZUUBRVLXARIXIJ-CJNGLKHVSA-N 2 1 244.382 2.433 20 0 BEADMP COC(C)(C)CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336692786 386366730 /nfs/dbraw/zinc/36/67/30/386366730.db2.gz IYXBJOZDZTXRAA-STQMWFEESA-N 2 1 242.407 2.216 20 0 BEADMP COC(C)(C)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336692786 386366735 /nfs/dbraw/zinc/36/67/35/386366735.db2.gz IYXBJOZDZTXRAA-STQMWFEESA-N 2 1 242.407 2.216 20 0 BEADMP COC(C)(C)CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336692786 386366737 /nfs/dbraw/zinc/36/67/37/386366737.db2.gz IYXBJOZDZTXRAA-STQMWFEESA-N 2 1 242.407 2.216 20 0 BEADMP COC(C)(C)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336692786 386366741 /nfs/dbraw/zinc/36/67/41/386366741.db2.gz IYXBJOZDZTXRAA-STQMWFEESA-N 2 1 242.407 2.216 20 0 BEADMP CC[C@H](CSC)[N@@H+](C)CCc1cncn1C ZINC000298394136 386336103 /nfs/dbraw/zinc/33/61/03/386336103.db2.gz LMPMKZJZBQDSOG-LLVKDONJSA-N 2 1 241.404 2.036 20 0 BEADMP CC(C)[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000336681585 386336656 /nfs/dbraw/zinc/33/66/56/386336656.db2.gz QWSHAMKSXMCEKQ-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[C@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000336681585 386336664 /nfs/dbraw/zinc/33/66/64/386336664.db2.gz QWSHAMKSXMCEKQ-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[C@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000336681585 386336672 /nfs/dbraw/zinc/33/66/72/386336672.db2.gz QWSHAMKSXMCEKQ-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]21 ZINC000230047010 386337106 /nfs/dbraw/zinc/33/71/06/386337106.db2.gz BKFMLEFIOYCBQP-OSAQELSMSA-N 2 1 248.345 2.385 20 0 BEADMP c1cncc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000299316105 386439723 /nfs/dbraw/zinc/43/97/23/386439723.db2.gz GRZAGRMENIRNAE-UHFFFAOYSA-N 2 1 245.370 2.188 20 0 BEADMP CC(C)COCC[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000336694484 386388938 /nfs/dbraw/zinc/38/89/38/386388938.db2.gz LJAGFPBPFKSDSH-UONOGXRCSA-N 2 1 242.407 2.074 20 0 BEADMP CC(C)COCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336694484 386388940 /nfs/dbraw/zinc/38/89/40/386388940.db2.gz LJAGFPBPFKSDSH-UONOGXRCSA-N 2 1 242.407 2.074 20 0 BEADMP CC(C)COCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336694484 386388943 /nfs/dbraw/zinc/38/89/43/386388943.db2.gz LJAGFPBPFKSDSH-UONOGXRCSA-N 2 1 242.407 2.074 20 0 BEADMP CC(C)COCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336694484 386388948 /nfs/dbraw/zinc/38/89/48/386388948.db2.gz LJAGFPBPFKSDSH-UONOGXRCSA-N 2 1 242.407 2.074 20 0 BEADMP CSc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000415008613 386390115 /nfs/dbraw/zinc/39/01/15/386390115.db2.gz MZDCWKLMNHDPQF-ZJUUUORDSA-N 2 1 224.373 2.234 20 0 BEADMP CC[NH+](CC)[C@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000266175080 386408109 /nfs/dbraw/zinc/40/81/09/386408109.db2.gz AJFSLLGYWPEVRH-ZDUSSCGKSA-N 2 1 248.374 2.014 20 0 BEADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000442664175 386412764 /nfs/dbraw/zinc/41/27/64/386412764.db2.gz LRWSUEPIAQFOKD-SWLSCSKDSA-N 2 1 247.386 2.237 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000442664175 386412769 /nfs/dbraw/zinc/41/27/69/386412769.db2.gz LRWSUEPIAQFOKD-SWLSCSKDSA-N 2 1 247.386 2.237 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@@H+]1CCCCOc1ccccc1 ZINC000339410144 386412871 /nfs/dbraw/zinc/41/28/71/386412871.db2.gz QFIMDVRKVHCKBV-AWEZNQCLSA-N 2 1 248.370 2.269 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@H+]1CCCCOc1ccccc1 ZINC000339410144 386412876 /nfs/dbraw/zinc/41/28/76/386412876.db2.gz QFIMDVRKVHCKBV-AWEZNQCLSA-N 2 1 248.370 2.269 20 0 BEADMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000442664167 386414173 /nfs/dbraw/zinc/41/41/73/386414173.db2.gz LRWSUEPIAQFOKD-DOMZBBRYSA-N 2 1 247.386 2.237 20 0 BEADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000442664167 386414182 /nfs/dbraw/zinc/41/41/82/386414182.db2.gz LRWSUEPIAQFOKD-DOMZBBRYSA-N 2 1 247.386 2.237 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](CCCCOc2ccccc2)C1 ZINC000339408896 386415532 /nfs/dbraw/zinc/41/55/32/386415532.db2.gz FYTNTYMAZGTPPD-AWEZNQCLSA-N 2 1 248.370 2.126 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000442664584 386418369 /nfs/dbraw/zinc/41/83/69/386418369.db2.gz MNYGRXUINYDJFF-OUCADQQQSA-N 2 1 218.344 2.212 20 0 BEADMP CC[N@H+](CCCn1cc[nH+]c1C)C1CCC1 ZINC000336709130 386418917 /nfs/dbraw/zinc/41/89/17/386418917.db2.gz VWBPSUYNNRXYAE-UHFFFAOYSA-N 2 1 221.348 2.456 20 0 BEADMP CC[N@@H+](CCCn1cc[nH+]c1C)C1CCC1 ZINC000336709130 386418924 /nfs/dbraw/zinc/41/89/24/386418924.db2.gz VWBPSUYNNRXYAE-UHFFFAOYSA-N 2 1 221.348 2.456 20 0 BEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccco3)C2)CC1 ZINC000290331654 386423504 /nfs/dbraw/zinc/42/35/04/386423504.db2.gz DURYXNJJFIGBHD-CQSZACIVSA-N 2 1 248.370 2.443 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CC1(C)C ZINC000336743497 386428253 /nfs/dbraw/zinc/42/82/53/386428253.db2.gz PFZVFCINFYGTFE-RVMXOQNASA-N 2 1 224.392 2.493 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CC1(C)C ZINC000336743497 386428261 /nfs/dbraw/zinc/42/82/61/386428261.db2.gz PFZVFCINFYGTFE-RVMXOQNASA-N 2 1 224.392 2.493 20 0 BEADMP C[C@H]1C[C@H](C[N@H+]2CCCC[C@@H](C)C2)CC[NH2+]1 ZINC000414765493 386430895 /nfs/dbraw/zinc/43/08/95/386430895.db2.gz ZXXREUTUXGURLN-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP CO[C@H](C)C[N@@H+](CC[C@@H]1CCC[NH+]1C)C(C)C ZINC000336714277 386432503 /nfs/dbraw/zinc/43/25/03/386432503.db2.gz QPHPUVCEJWYRBA-KGLIPLIRSA-N 2 1 242.407 2.216 20 0 BEADMP CO[C@H](C)C[NH+](CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000336714277 386432505 /nfs/dbraw/zinc/43/25/05/386432505.db2.gz QPHPUVCEJWYRBA-KGLIPLIRSA-N 2 1 242.407 2.216 20 0 BEADMP CO[C@H](C)C[NH+](CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000336714277 386432511 /nfs/dbraw/zinc/43/25/11/386432511.db2.gz QPHPUVCEJWYRBA-KGLIPLIRSA-N 2 1 242.407 2.216 20 0 BEADMP CC1(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCC1 ZINC000414775196 386469708 /nfs/dbraw/zinc/46/97/08/386469708.db2.gz GGSQITKINANGRQ-ZIAGYGMSSA-N 2 1 236.403 2.498 20 0 BEADMP Cc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)ccn1 ZINC000391194721 386474345 /nfs/dbraw/zinc/47/43/45/386474345.db2.gz RCEOAKWVZKCGNZ-OSAQELSMSA-N 2 1 247.386 2.208 20 0 BEADMP Cc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)ccn1 ZINC000391194721 386474348 /nfs/dbraw/zinc/47/43/48/386474348.db2.gz RCEOAKWVZKCGNZ-OSAQELSMSA-N 2 1 247.386 2.208 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+]C/C=C\c1ccc(F)cc1F ZINC000415014986 386499973 /nfs/dbraw/zinc/49/99/73/386499973.db2.gz MQUADZKUHNETQZ-CMIOBCHKSA-N 2 1 240.297 2.303 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+]C/C=C/c1ccc(F)cc1F ZINC000415014988 386500906 /nfs/dbraw/zinc/50/09/06/386500906.db2.gz MQUADZKUHNETQZ-OHINUGQQSA-N 2 1 240.297 2.303 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CC3)[C@H]2CCC[C@H]21 ZINC000417339912 386505691 /nfs/dbraw/zinc/50/56/91/386505691.db2.gz OWXNMWJZTPESMD-RFQIPJPRSA-N 2 1 234.387 2.249 20 0 BEADMP CC(C)(C)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414783751 386507329 /nfs/dbraw/zinc/50/73/29/386507329.db2.gz QMJOFFZZXNFTGM-OLZOCXBDSA-N 2 1 224.392 2.354 20 0 BEADMP Cc1cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])ccc1Cl ZINC000415024152 386515072 /nfs/dbraw/zinc/51/50/72/386515072.db2.gz YCLTUNZOSPAEDJ-UWVGGRQHSA-N 2 1 226.751 2.474 20 0 BEADMP CC[N@@H+](CCn1ccnc1)CC(C)(C)C ZINC000291152091 386519313 /nfs/dbraw/zinc/51/93/13/386519313.db2.gz DVJAGGGOLFJXKT-UHFFFAOYSA-N 2 1 209.337 2.251 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000094339166 386457383 /nfs/dbraw/zinc/45/73/83/386457383.db2.gz UHSCNENIZQZPMG-IUODEOHRSA-N 2 1 232.371 2.418 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000339512244 386458011 /nfs/dbraw/zinc/45/80/11/386458011.db2.gz MHFIFFXRPKMPGP-ZBFHGGJFSA-N 2 1 244.382 2.474 20 0 BEADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccn1 ZINC000094916676 386462453 /nfs/dbraw/zinc/46/24/53/386462453.db2.gz XOPUFNPFJZCSHV-CQSZACIVSA-N 2 1 247.386 2.293 20 0 BEADMP CC(C)[C@H](C[NH2+][C@H]1CCC[NH2+]C1)c1cccnc1 ZINC000415076658 386574933 /nfs/dbraw/zinc/57/49/33/386574933.db2.gz DGPOINDCIVWWGR-GJZGRUSLSA-N 2 1 247.386 2.163 20 0 BEADMP C[C@H](C[NH3+])[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414921492 386576701 /nfs/dbraw/zinc/57/67/01/386576701.db2.gz BRVJORZXPBEZJC-SNVBAGLBSA-N 2 1 204.317 2.001 20 0 BEADMP CCCOc1cccc(C[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000414799137 386577684 /nfs/dbraw/zinc/57/76/84/386577684.db2.gz JSEZAOILTCDSPA-OAHLLOKOSA-N 2 1 248.370 2.302 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC000414921362 386585460 /nfs/dbraw/zinc/58/54/60/386585460.db2.gz DLOWLDBCLFWBDD-WOPDTQHZSA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1cccc(F)c1 ZINC000415080105 386585659 /nfs/dbraw/zinc/58/56/59/386585659.db2.gz IVPDSXLWJBNJMP-CYBMUJFWSA-N 2 1 224.323 2.289 20 0 BEADMP CC(C)C[C@H]([NH3+])C[NH2+]Cc1cccc(F)c1 ZINC000415080107 386587757 /nfs/dbraw/zinc/58/77/57/386587757.db2.gz IVPDSXLWJBNJMP-ZDUSSCGKSA-N 2 1 224.323 2.289 20 0 BEADMP CC1CCC(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000414922007 386590767 /nfs/dbraw/zinc/59/07/67/386590767.db2.gz FPNGQQVVKUQSMG-YIOUJQMASA-N 2 1 224.392 2.400 20 0 BEADMP CC1CCC(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000414922006 386591714 /nfs/dbraw/zinc/59/17/14/386591714.db2.gz FPNGQQVVKUQSMG-HHTDUIENSA-N 2 1 224.392 2.400 20 0 BEADMP C[C@@H](CCc1ccsc1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414803033 386596548 /nfs/dbraw/zinc/59/65/48/386596548.db2.gz IYSOZUZHGRPCHC-GWCFXTLKSA-N 2 1 238.400 2.396 20 0 BEADMP Cc1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)cc1C ZINC000414788303 386531713 /nfs/dbraw/zinc/53/17/13/386531713.db2.gz DGNLUVRHYOJUDY-AWEZNQCLSA-N 2 1 220.360 2.376 20 0 BEADMP C[C@@H](C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C)c1ccc(F)cc1 ZINC000415054714 386536476 /nfs/dbraw/zinc/53/64/76/386536476.db2.gz MOYXBEAIDBXNDG-MJVIPROJSA-N 2 1 236.334 2.351 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@H]([NH3+])[C@@H]1C)c1ccc(F)cc1 ZINC000415054714 386536483 /nfs/dbraw/zinc/53/64/83/386536483.db2.gz MOYXBEAIDBXNDG-MJVIPROJSA-N 2 1 236.334 2.351 20 0 BEADMP CC[C@@]1(C)CC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000399381386 386540224 /nfs/dbraw/zinc/54/02/24/386540224.db2.gz WZTXXYHTLKULCN-ZDUSSCGKSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@@]1(C)CC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000399381386 386540228 /nfs/dbraw/zinc/54/02/28/386540228.db2.gz WZTXXYHTLKULCN-ZDUSSCGKSA-N 2 1 212.381 2.497 20 0 BEADMP CCOc1ccccc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414918760 386541604 /nfs/dbraw/zinc/54/16/04/386541604.db2.gz VDAOKBNPCHFSNK-CQSZACIVSA-N 2 1 248.370 2.317 20 0 BEADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C[C@@H]1C[C@H]1C ZINC000336755669 386543248 /nfs/dbraw/zinc/54/32/48/386543248.db2.gz XUXMDDFHXMPAKK-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP COC[C@H](CC(C)C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415070131 386551918 /nfs/dbraw/zinc/55/19/18/386551918.db2.gz UNKBEIFDCBMIJO-UONOGXRCSA-N 2 1 242.407 2.155 20 0 BEADMP COC[C@H](CC(C)C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415070126 386552798 /nfs/dbraw/zinc/55/27/98/386552798.db2.gz UNKBEIFDCBMIJO-KBPBESRZSA-N 2 1 242.407 2.155 20 0 BEADMP CC[C@H](C)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415053105 386554127 /nfs/dbraw/zinc/55/41/27/386554127.db2.gz NZOOVTCGKDKULK-MELADBBJSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647974876 386555082 /nfs/dbraw/zinc/55/50/82/386555082.db2.gz AEWLAVCMRPSYAD-CHWSQXEVSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415071139 386556365 /nfs/dbraw/zinc/55/63/65/386556365.db2.gz VYTITXFWUSPCHM-WXHSDQCUSA-N 2 1 210.365 2.282 20 0 BEADMP Cc1cccc(C[NH2+]C[C@@H]([NH3+])C(C)C)c1C ZINC000414794840 386560718 /nfs/dbraw/zinc/56/07/18/386560718.db2.gz MGUUBVUCDDMQKI-CQSZACIVSA-N 2 1 220.360 2.376 20 0 BEADMP CC(C)([NH3+])C[NH2+]C/C=C/c1ccccc1 ZINC000414796494 386566653 /nfs/dbraw/zinc/56/66/53/386566653.db2.gz BXEPKHADQQJISK-RMKNXTFCSA-N 2 1 204.317 2.027 20 0 BEADMP C[C@H]([NH3+])C[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000647996281 386571819 /nfs/dbraw/zinc/57/18/19/386571819.db2.gz JZUPJYOLAIHTHO-JTQLQIEISA-N 2 1 222.307 2.142 20 0 BEADMP C[NH2+]CCC[N@H+]1CCCC[C@H]1C1CCC1 ZINC000647997633 386621035 /nfs/dbraw/zinc/62/10/35/386621035.db2.gz UMUFGRWKVZQIHT-ZDUSSCGKSA-N 2 1 210.365 2.251 20 0 BEADMP CCC([NH3+])(CC)C[NH2+]Cc1cccc(F)c1 ZINC000414810026 386620989 /nfs/dbraw/zinc/62/09/89/386620989.db2.gz WKESOFADRVPAPX-UHFFFAOYSA-N 2 1 224.323 2.433 20 0 BEADMP C[C@@H]1CCC[C@H](C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000414924671 386628041 /nfs/dbraw/zinc/62/80/41/386628041.db2.gz IYEGKUSVEKLETF-RFGFWPKPSA-N 2 1 224.392 2.400 20 0 BEADMP CCc1ccc(CC[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000442759905 386630630 /nfs/dbraw/zinc/63/06/30/386630630.db2.gz SPXRBCGITHWYBN-XJKSGUPXSA-N 2 1 246.398 2.461 20 0 BEADMP CCc1ccc(CC[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000442759900 386631170 /nfs/dbraw/zinc/63/11/70/386631170.db2.gz SPXRBCGITHWYBN-BBRMVZONSA-N 2 1 246.398 2.461 20 0 BEADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@@H]1CCC1(C)C ZINC000336758818 386640138 /nfs/dbraw/zinc/64/01/38/386640138.db2.gz JZMAXHOZUBKXRC-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@H]1CCC1(C)C ZINC000336758819 386641007 /nfs/dbraw/zinc/64/10/07/386641007.db2.gz JZMAXHOZUBKXRC-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH3+] ZINC000049813625 386656122 /nfs/dbraw/zinc/65/61/22/386656122.db2.gz PCFWAVKWNWBGNT-UHFFFAOYSA-N 2 1 206.333 2.103 20 0 BEADMP [NH3+]C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000414803111 386599167 /nfs/dbraw/zinc/59/91/67/386599167.db2.gz JHXNPVIABGZCTG-KKUMJFAQSA-N 2 1 230.355 2.117 20 0 BEADMP Cc1ccccc1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414805457 386602138 /nfs/dbraw/zinc/60/21/38/386602138.db2.gz YNGVFQLZQOMYEZ-CYBMUJFWSA-N 2 1 206.333 2.068 20 0 BEADMP C[C@@H](CC1CCCC1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414802016 386602404 /nfs/dbraw/zinc/60/24/04/386602404.db2.gz HPZCXMSFWFEQSL-GWCFXTLKSA-N 2 1 210.365 2.282 20 0 BEADMP C[C@@H](CC1CCCC1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414802018 386604092 /nfs/dbraw/zinc/60/40/92/386604092.db2.gz HPZCXMSFWFEQSL-GXFFZTMASA-N 2 1 210.365 2.282 20 0 BEADMP Cc1cccc(C)c1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414803900 386605478 /nfs/dbraw/zinc/60/54/78/386605478.db2.gz XAQIVDKMRZTKEC-AWEZNQCLSA-N 2 1 220.360 2.376 20 0 BEADMP Cc1ccc(C[NH2+]CC(C)(C)[NH3+])cc1Cl ZINC000414805348 386612591 /nfs/dbraw/zinc/61/25/91/386612591.db2.gz OQHRMEFAVUFFPO-UHFFFAOYSA-N 2 1 226.751 2.475 20 0 BEADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000414806417 386615199 /nfs/dbraw/zinc/61/51/99/386615199.db2.gz BSENNLNLTAPISC-ZDUSSCGKSA-N 2 1 246.358 2.170 20 0 BEADMP C[N@H+](CCC[NH+]1CCCC1)CCc1cccnc1 ZINC000337222391 386663511 /nfs/dbraw/zinc/66/35/11/386663511.db2.gz LXQMDGGADDBODA-UHFFFAOYSA-N 2 1 247.386 2.042 20 0 BEADMP C[N@@H+](CCC[NH+]1CCCC1)CCc1cccnc1 ZINC000337222391 386663514 /nfs/dbraw/zinc/66/35/14/386663514.db2.gz LXQMDGGADDBODA-UHFFFAOYSA-N 2 1 247.386 2.042 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000414821342 386674989 /nfs/dbraw/zinc/67/49/89/386674989.db2.gz DTCIEKSUOSXIQH-GFCCVEGCSA-N 2 1 238.350 2.346 20 0 BEADMP CCCC1CCC(C[NH2+]CC[NH2+]C)CC1 ZINC000414821448 386676331 /nfs/dbraw/zinc/67/63/31/386676331.db2.gz FBDAJWWQIVKWBK-UHFFFAOYSA-N 2 1 212.381 2.402 20 0 BEADMP COc1ccc2cc(C[NH2+][C@H](C)C[NH3+])ccc2c1 ZINC000414927020 386687666 /nfs/dbraw/zinc/68/76/66/386687666.db2.gz KPSTYHFKWDKMNI-LLVKDONJSA-N 2 1 244.338 2.285 20 0 BEADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc2c(c1)COC2 ZINC000268717223 386687990 /nfs/dbraw/zinc/68/79/90/386687990.db2.gz NDVCBPRAVLOUJI-GFCCVEGCSA-N 2 1 248.370 2.319 20 0 BEADMP Cc1cc[nH+]c(N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000292632899 386702288 /nfs/dbraw/zinc/70/22/88/386702288.db2.gz ABBBOBIZYXYCTJ-CQSZACIVSA-N 2 1 245.370 2.312 20 0 BEADMP CC(C)C[C@@H](C)C[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC000414927963 386708196 /nfs/dbraw/zinc/70/81/96/386708196.db2.gz MVMAEHHTIVLGQB-GRYCIOLGSA-N 2 1 200.370 2.384 20 0 BEADMP CCC[C@H](C[NH2+]CCNC)c1ccccc1 ZINC000414836838 386731325 /nfs/dbraw/zinc/73/13/25/386731325.db2.gz WMLXZBXMGMUEJZ-CQSZACIVSA-N 2 1 220.360 2.379 20 0 BEADMP CCC[C@H](C[NH2+]CC[NH2+]C)c1ccccc1 ZINC000414836838 386731327 /nfs/dbraw/zinc/73/13/27/386731327.db2.gz WMLXZBXMGMUEJZ-CQSZACIVSA-N 2 1 220.360 2.379 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(F)cc1Cl ZINC000414836469 386737713 /nfs/dbraw/zinc/73/77/13/386737713.db2.gz JJBIUDQQBXDDPP-SECBINFHSA-N 2 1 244.741 2.424 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc2ccccc2o1 ZINC000414838792 386739416 /nfs/dbraw/zinc/73/94/16/386739416.db2.gz LPWDBHORRVNMFQ-LLVKDONJSA-N 2 1 232.327 2.378 20 0 BEADMP Cc1nccn1CC[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000335485509 386715169 /nfs/dbraw/zinc/71/51/69/386715169.db2.gz FPFUPLRVDIMAPC-VXGBXAGGSA-N 2 1 221.348 2.169 20 0 BEADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000414832517 386717098 /nfs/dbraw/zinc/71/70/98/386717098.db2.gz DQMVRKBVKSIOGW-ZDUSSCGKSA-N 2 1 246.358 2.026 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000414832060 386718430 /nfs/dbraw/zinc/71/84/30/386718430.db2.gz DDWMFOSAKZOZRL-BFHYXJOUSA-N 2 1 242.407 2.153 20 0 BEADMP CC[C@H]1CC[N@H+]1Cc1cccc2nccn21 ZINC000292771825 386725362 /nfs/dbraw/zinc/72/53/62/386725362.db2.gz KMAVAQAUVZNEFN-NSHDSACASA-N 2 1 215.300 2.319 20 0 BEADMP C[NH+](C)CCSCC[C@H]1CCCC[N@H+]1C ZINC000340697112 386727048 /nfs/dbraw/zinc/72/70/48/386727048.db2.gz OTAUOFYIQCEWPK-GFCCVEGCSA-N 2 1 230.421 2.156 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H](CC)C[C@H](C)CC ZINC000414835562 386727377 /nfs/dbraw/zinc/72/73/77/386727377.db2.gz VDOKHXVVPRGKOV-NEPJUHHUSA-N 2 1 200.370 2.400 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)ccc1F ZINC000050559344 386728927 /nfs/dbraw/zinc/72/89/27/386728927.db2.gz HTESUXGYBPBIAS-CYBMUJFWSA-N 2 1 236.334 2.305 20 0 BEADMP CCOc1ccccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414840233 386749132 /nfs/dbraw/zinc/74/91/32/386749132.db2.gz YHWUGFMDAKYZOT-CYBMUJFWSA-N 2 1 248.370 2.175 20 0 BEADMP CCOc1ccccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414840235 386749696 /nfs/dbraw/zinc/74/96/96/386749696.db2.gz YHWUGFMDAKYZOT-ZDUSSCGKSA-N 2 1 248.370 2.175 20 0 BEADMP CCC[C@@H](C)C[NH2+][C@H](C[NH3+])CC(C)C ZINC000414840868 386751629 /nfs/dbraw/zinc/75/16/29/386751629.db2.gz MRTKGNRUYVZXBM-NEPJUHHUSA-N 2 1 200.370 2.386 20 0 BEADMP COC1(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000336663984 386752930 /nfs/dbraw/zinc/75/29/30/386752930.db2.gz WSABQULOYXKJDD-OLZOCXBDSA-N 2 1 240.391 2.018 20 0 BEADMP CC[NH2+]CC[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000414843095 386756894 /nfs/dbraw/zinc/75/68/94/386756894.db2.gz JJDDOWGXIXYKPD-RYUDHWBXSA-N 2 1 212.381 2.400 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000414931263 386761551 /nfs/dbraw/zinc/76/15/51/386761551.db2.gz RBMZDUIMUARVKE-IJLUTSLNSA-N 2 1 206.333 2.115 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000414842594 386762574 /nfs/dbraw/zinc/76/25/74/386762574.db2.gz IUMDCWCOSXLIGA-VIFPVBQESA-N 2 1 226.286 2.307 20 0 BEADMP Cc1ccc(F)c(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000335641184 386764963 /nfs/dbraw/zinc/76/49/63/386764963.db2.gz SHIFKAUZEXAGGL-YPMHNXCESA-N 2 1 236.334 2.364 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000414843692 386766761 /nfs/dbraw/zinc/76/67/61/386766761.db2.gz KINJMZCTXWBCDU-NXEZZACHSA-N 2 1 238.297 2.307 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000334143458 386742370 /nfs/dbraw/zinc/74/23/70/386742370.db2.gz RPLZIDFDKHDAFR-XHDPSFHLSA-N 2 1 248.345 2.484 20 0 BEADMP NC[C@@H]1CCC[N@@H+]1Cc1cccc2cccnc21 ZINC000020247169 386791234 /nfs/dbraw/zinc/79/12/34/386791234.db2.gz MPCOHLFPTLNTCU-AWEZNQCLSA-N 2 1 241.338 2.158 20 0 BEADMP NC[C@@H]1CCC[N@H+]1Cc1cccc2cccnc21 ZINC000020247169 386791239 /nfs/dbraw/zinc/79/12/39/386791239.db2.gz MPCOHLFPTLNTCU-AWEZNQCLSA-N 2 1 241.338 2.158 20 0 BEADMP C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCC[NH2+]C1 ZINC000020293335 386793747 /nfs/dbraw/zinc/79/37/47/386793747.db2.gz ZQLUGBKBEKNJGD-CYBMUJFWSA-N 2 1 236.334 2.257 20 0 BEADMP C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCC[NH2+]C1 ZINC000020293335 386793754 /nfs/dbraw/zinc/79/37/54/386793754.db2.gz ZQLUGBKBEKNJGD-CYBMUJFWSA-N 2 1 236.334 2.257 20 0 BEADMP CC(C)C[C@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414935555 386820176 /nfs/dbraw/zinc/82/01/76/386820176.db2.gz UJKIRITWQYRNIZ-YNEHKIRRSA-N 2 1 212.381 2.256 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCC1(C)CC1 ZINC000280548893 386822929 /nfs/dbraw/zinc/82/29/29/386822929.db2.gz JWHSHUDADRAZRZ-UHFFFAOYSA-N 2 1 233.359 2.427 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000300023920 386799489 /nfs/dbraw/zinc/79/94/89/386799489.db2.gz JCMULZMCBMJUIK-VGMNWLOBSA-N 2 1 224.270 2.044 20 0 BEADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@H](C)C[NH3+] ZINC000300026066 386800784 /nfs/dbraw/zinc/80/07/84/386800784.db2.gz WGPPWDMEYYUMDH-LPWJVIDDSA-N 2 1 212.381 2.384 20 0 BEADMP CC(C)Cc1ccc(C[NH2+][C@H](C)CN)cc1 ZINC000414937722 386838718 /nfs/dbraw/zinc/83/87/18/386838718.db2.gz WQPLVTKPZVNTGL-GFCCVEGCSA-N 2 1 220.360 2.322 20 0 BEADMP CC(C)Cc1ccc(C[NH2+][C@H](C)C[NH3+])cc1 ZINC000414937722 386838721 /nfs/dbraw/zinc/83/87/21/386838721.db2.gz WQPLVTKPZVNTGL-GFCCVEGCSA-N 2 1 220.360 2.322 20 0 BEADMP C[C@@H]1Cc2ccccc2C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000334784450 386842093 /nfs/dbraw/zinc/84/20/93/386842093.db2.gz MDDJVTCGPAZOEP-KGLIPLIRSA-N 2 1 244.382 2.433 20 0 BEADMP Cc1nc(NC[C@H](C2CC2)[NH+](C)C)c(C)c(C)[nH+]1 ZINC000301444246 386845424 /nfs/dbraw/zinc/84/54/24/386845424.db2.gz ORCDJIWVOAAWBR-CYBMUJFWSA-N 2 1 248.374 2.154 20 0 BEADMP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[C@@H]1C)[NH+]1CCCC1 ZINC000336674445 386850456 /nfs/dbraw/zinc/85/04/56/386850456.db2.gz BGVXWAATOQXBDF-IGQOVBAYSA-N 2 1 224.392 2.495 20 0 BEADMP CC[NH+](CC)CCNc1nc(C)[nH+]c(C)c1C ZINC000301677902 386868295 /nfs/dbraw/zinc/86/82/95/386868295.db2.gz IGZAMLMHBHYDBH-UHFFFAOYSA-N 2 1 236.363 2.156 20 0 BEADMP CC[N@H+](CCNc1nc(C)[nH+]c(C)c1C)C1CC1 ZINC000301713744 386871002 /nfs/dbraw/zinc/87/10/02/386871002.db2.gz ZAFOXTRSAOAQSE-UHFFFAOYSA-N 2 1 248.374 2.298 20 0 BEADMP CC[N@@H+](CCNc1nc(C)[nH+]c(C)c1C)C1CC1 ZINC000301713744 386871007 /nfs/dbraw/zinc/87/10/07/386871007.db2.gz ZAFOXTRSAOAQSE-UHFFFAOYSA-N 2 1 248.374 2.298 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)CC[NH2+]1 ZINC000334864428 386920126 /nfs/dbraw/zinc/92/01/26/386920126.db2.gz PMOZHFDJNVDGJO-ONGXEEELSA-N 2 1 240.297 2.195 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2F)CC[NH2+]1 ZINC000334864594 386919948 /nfs/dbraw/zinc/91/99/48/386919948.db2.gz QLQQWAGLPVDWLO-PWSUYJOCSA-N 2 1 222.307 2.056 20 0 BEADMP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@@H]1CCCSC1 ZINC000334867109 386923109 /nfs/dbraw/zinc/92/31/09/386923109.db2.gz ZWSDIWNCBHNYCW-NEPJUHHUSA-N 2 1 242.432 2.250 20 0 BEADMP CC(C)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000334867369 386926652 /nfs/dbraw/zinc/92/66/52/386926652.db2.gz CVXUKJKHQOJTEK-QWHCGFSZSA-N 2 1 210.365 2.106 20 0 BEADMP c1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccn1 ZINC000334868523 386926923 /nfs/dbraw/zinc/92/69/23/386926923.db2.gz LKQYYGFUGQJFSM-HUUCEWRRSA-N 2 1 245.370 2.046 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000093977909 386927258 /nfs/dbraw/zinc/92/72/58/386927258.db2.gz WFDMGXKNUNUYAG-KGYLQXTDSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@H]1CC[C@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC000334890099 386962885 /nfs/dbraw/zinc/96/28/85/386962885.db2.gz MSJUVDAKKWLQKF-KBPBESRZSA-N 2 1 233.359 2.395 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000095015723 386975488 /nfs/dbraw/zinc/97/54/88/386975488.db2.gz AOKZPQDHUQWSSE-LPWJVIDDSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000095015723 386975494 /nfs/dbraw/zinc/97/54/94/386975494.db2.gz AOKZPQDHUQWSSE-LPWJVIDDSA-N 2 1 210.365 2.247 20 0 BEADMP CC[N@H+](CC[NH2+][C@@H]1C[C@H](C)[C@@H]1C)C(C)C ZINC000336764405 387046875 /nfs/dbraw/zinc/04/68/75/387046875.db2.gz PVQGIDAUNSPKPX-RWMBFGLXSA-N 2 1 212.381 2.351 20 0 BEADMP CC[N@@H+](CC[NH2+][C@@H]1C[C@H](C)[C@@H]1C)C(C)C ZINC000336764405 387046877 /nfs/dbraw/zinc/04/68/77/387046877.db2.gz PVQGIDAUNSPKPX-RWMBFGLXSA-N 2 1 212.381 2.351 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)[C@@H](C)C1 ZINC000425957006 387046933 /nfs/dbraw/zinc/04/69/33/387046933.db2.gz ZNQKZYYBVOWSPW-CMPLNLGQSA-N 2 1 246.345 2.352 20 0 BEADMP C[C@H]1CCCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000334966025 387047038 /nfs/dbraw/zinc/04/70/38/387047038.db2.gz DNPNFIITOIVFAB-QWHCGFSZSA-N 2 1 210.365 2.108 20 0 BEADMP CC[C@H]([NH2+]C[C@H](C)[NH+](CC)CC)[C@@H]1CCOC1 ZINC000359034445 387047063 /nfs/dbraw/zinc/04/70/63/387047063.db2.gz JSIUYTSQUZXTCD-MJBXVCDLSA-N 2 1 242.407 2.121 20 0 BEADMP Fc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000334883209 387025454 /nfs/dbraw/zinc/02/54/54/387025454.db2.gz RFUNUSASZIGBPB-PBWFPOADSA-N 2 1 234.318 2.198 20 0 BEADMP CCOc1ccccc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000126903235 387072342 /nfs/dbraw/zinc/07/23/42/387072342.db2.gz LSZQQGXAFGYWEW-OLZOCXBDSA-N 2 1 248.370 2.254 20 0 BEADMP CCOc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000126904083 387072637 /nfs/dbraw/zinc/07/26/37/387072637.db2.gz BAXMBCKYOZUBNV-TZMCWYRMSA-N 2 1 248.370 2.254 20 0 BEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCOc1ccccc1 ZINC000111380561 387077874 /nfs/dbraw/zinc/07/78/74/387077874.db2.gz CGQYQFVSXUHDCN-AWEZNQCLSA-N 2 1 248.370 2.269 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C3CC3)CC2)[C@@H](C)C1 ZINC000246359317 387078180 /nfs/dbraw/zinc/07/81/80/387078180.db2.gz IIZYEYHLZSPTOD-GXTWGEPZSA-N 2 1 236.403 2.497 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C3CC3)CC2)[C@@H](C)C1 ZINC000246359332 387078283 /nfs/dbraw/zinc/07/82/83/387078283.db2.gz IIZYEYHLZSPTOD-JSGCOSHPSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)C(C)(C)C[NH2+]C1CC[NH+](C)CC1 ZINC000188711444 387084804 /nfs/dbraw/zinc/08/48/04/387084804.db2.gz KSGXNBHGLNWRKD-UHFFFAOYSA-N 2 1 212.381 2.352 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]21 ZINC000228476409 387088088 /nfs/dbraw/zinc/08/80/88/387088088.db2.gz WBTDBTBXAMNBMC-NWANDNLSSA-N 2 1 248.345 2.385 20 0 BEADMP [NH3+]C[C@H]1CC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000334998252 387090572 /nfs/dbraw/zinc/09/05/72/387090572.db2.gz MXVCDUAJPSKNBP-ABAIWWIYSA-N 2 1 248.345 2.484 20 0 BEADMP C[N@@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000111824526 387092557 /nfs/dbraw/zinc/09/25/57/387092557.db2.gz KPBPQPUYVNFRFZ-CQSZACIVSA-N 2 1 236.334 2.400 20 0 BEADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(C)n1 ZINC000334998957 387092763 /nfs/dbraw/zinc/09/27/63/387092763.db2.gz XFYXEXVXOMYSJJ-GXTWGEPZSA-N 2 1 247.386 2.258 20 0 BEADMP CCOc1cccc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)c1 ZINC000071142484 387094606 /nfs/dbraw/zinc/09/46/06/387094606.db2.gz OUTHGYNFASDYFK-AWEZNQCLSA-N 2 1 248.370 2.127 20 0 BEADMP CCOc1cccc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)c1 ZINC000071142484 387094611 /nfs/dbraw/zinc/09/46/11/387094611.db2.gz OUTHGYNFASDYFK-AWEZNQCLSA-N 2 1 248.370 2.127 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000071142127 387094804 /nfs/dbraw/zinc/09/48/04/387094804.db2.gz FHWKHJVKNKIZQE-HNNXBMFYSA-N 2 1 232.371 2.290 20 0 BEADMP CCC(CC)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228533420 387102210 /nfs/dbraw/zinc/10/22/10/387102210.db2.gz CXNWCHNUDGIZSF-BFHYXJOUSA-N 2 1 224.392 2.482 20 0 BEADMP CCC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228535063 387102276 /nfs/dbraw/zinc/10/22/76/387102276.db2.gz GIJVFFVYVVHYIS-IGQOVBAYSA-N 2 1 224.392 2.482 20 0 BEADMP CCc1ccccc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000250262664 387112872 /nfs/dbraw/zinc/11/28/72/387112872.db2.gz DVDAHRXMHABHPY-OLZOCXBDSA-N 2 1 232.371 2.418 20 0 BEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1F ZINC000335025857 387117926 /nfs/dbraw/zinc/11/79/26/387117926.db2.gz MUAHSTMZKIUNLD-RISCZKNCSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1F ZINC000335025967 387118022 /nfs/dbraw/zinc/11/80/22/387118022.db2.gz WZEBEAYWHHUEGI-QWHCGFSZSA-N 2 1 222.307 2.104 20 0 BEADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3ccc(O)cc32)CCC1 ZINC000335026135 387118684 /nfs/dbraw/zinc/11/86/84/387118684.db2.gz XLHXKJLZDGIZEW-CQSZACIVSA-N 2 1 246.354 2.241 20 0 BEADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)Cc1ccoc1 ZINC000423299684 387129345 /nfs/dbraw/zinc/12/93/45/387129345.db2.gz QKPSVWAGYZAKRZ-YPMHNXCESA-N 2 1 224.348 2.318 20 0 BEADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C1CCOCC1 ZINC000186736728 387129654 /nfs/dbraw/zinc/12/96/54/387129654.db2.gz FMPVQUMRTZIVRU-CYBMUJFWSA-N 2 1 240.391 2.020 20 0 BEADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccoc1 ZINC000423299681 387130041 /nfs/dbraw/zinc/13/00/41/387130041.db2.gz QKPSVWAGYZAKRZ-AAEUAGOBSA-N 2 1 224.348 2.318 20 0 BEADMP CO[C@H](C)C[N@@H+](CCC1CC[NH2+]CC1)C(C)C ZINC000359215339 387068032 /nfs/dbraw/zinc/06/80/32/387068032.db2.gz JUCUZWSLWZKRBT-CYBMUJFWSA-N 2 1 242.407 2.121 20 0 BEADMP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)c(C)c1 ZINC000423310391 387146112 /nfs/dbraw/zinc/14/61/12/387146112.db2.gz AGBDJPXRLJLEQB-ABAIWWIYSA-N 2 1 248.370 2.392 20 0 BEADMP CCC[NH2+]CC[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000423309320 387146227 /nfs/dbraw/zinc/14/62/27/387146227.db2.gz KZNMKTANVDBCGU-CHWSQXEVSA-N 2 1 242.407 2.168 20 0 BEADMP COc1cccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000423310400 387147247 /nfs/dbraw/zinc/14/72/47/387147247.db2.gz AHLVODVCNQWPGU-HZMBPMFUSA-N 2 1 234.343 2.083 20 0 BEADMP CCC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccnc1 ZINC000423313304 387151137 /nfs/dbraw/zinc/15/11/37/387151137.db2.gz FKPXKDOXYJIXQH-UONOGXRCSA-N 2 1 233.359 2.250 20 0 BEADMP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423342520 387192832 /nfs/dbraw/zinc/19/28/32/387192832.db2.gz YWPSKXJSILCNOC-LLVKDONJSA-N 2 1 234.343 2.227 20 0 BEADMP [NH3+][C@@H](C[NH2+][C@H]1CCc2ccccc21)C1CC1 ZINC000423316501 387156187 /nfs/dbraw/zinc/15/61/87/387156187.db2.gz JSSQSPODHAZMBM-KBPBESRZSA-N 2 1 216.328 2.001 20 0 BEADMP COc1ccc([C@@H]([NH2+][C@H](C)C[NH3+])C(C)C)cc1 ZINC000423342237 387192992 /nfs/dbraw/zinc/19/29/92/387192992.db2.gz YRSKUIBECDJYMX-RISCZKNCSA-N 2 1 236.359 2.329 20 0 BEADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccsc1 ZINC000423319657 387160847 /nfs/dbraw/zinc/16/08/47/387160847.db2.gz LUNLEOHCZWQONF-KCJUWKMLSA-N 2 1 210.346 2.136 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000423319849 387161425 /nfs/dbraw/zinc/16/14/25/387161425.db2.gz FSTYBNZASCTDSB-GHMZBOCLSA-N 2 1 218.344 2.173 20 0 BEADMP CSc1ccccc1[C@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423320190 387161781 /nfs/dbraw/zinc/16/17/81/387161781.db2.gz MDSMRUGUSWQAOU-JTQLQIEISA-N 2 1 236.384 2.279 20 0 BEADMP CC[C@@H]([NH2+][C@H](C)C[NH3+])c1cccc(F)c1 ZINC000423322106 387165453 /nfs/dbraw/zinc/16/54/53/387165453.db2.gz INMTXBLGRFBPDC-BXKDBHETSA-N 2 1 210.296 2.214 20 0 BEADMP CC[N@H+](CCCc1c[nH+]cn1C)CCC1CC1 ZINC000571891795 387193182 /nfs/dbraw/zinc/19/31/82/387193182.db2.gz CDTHPFXJXCWHLR-UHFFFAOYSA-N 2 1 235.375 2.475 20 0 BEADMP CC[N@@H+](CCCc1c[nH+]cn1C)CCC1CC1 ZINC000571891795 387193188 /nfs/dbraw/zinc/19/31/88/387193188.db2.gz CDTHPFXJXCWHLR-UHFFFAOYSA-N 2 1 235.375 2.475 20 0 BEADMP [NH3+][C@H](C[NH2+][C@@H]1CCCc2sccc21)C1CC1 ZINC000423323892 387167412 /nfs/dbraw/zinc/16/74/12/387167412.db2.gz PCQVBWSPVXPSSR-VXGBXAGGSA-N 2 1 236.384 2.452 20 0 BEADMP CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccc1OC ZINC000423323846 387167541 /nfs/dbraw/zinc/16/75/41/387167541.db2.gz OYUIQSADFIIEEB-KBPBESRZSA-N 2 1 248.370 2.473 20 0 BEADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(F)cc1 ZINC000423328810 387173525 /nfs/dbraw/zinc/17/35/25/387173525.db2.gz SKVLEQHGTOPKBE-ZANVPECISA-N 2 1 222.307 2.214 20 0 BEADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cccs1 ZINC000423330704 387174780 /nfs/dbraw/zinc/17/47/80/387174780.db2.gz PTGXRLKYIPKIER-SECBINFHSA-N 2 1 210.346 2.280 20 0 BEADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423330636 387176499 /nfs/dbraw/zinc/17/64/99/387176499.db2.gz PLWIEMWQZZJNME-JSGCOSHPSA-N 2 1 248.370 2.234 20 0 BEADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H](C)C[NH3+])C1 ZINC000423331291 387176517 /nfs/dbraw/zinc/17/65/17/387176517.db2.gz QCCZDNQLKOMPCN-MCIONIFRSA-N 2 1 247.386 2.353 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000250924175 387177966 /nfs/dbraw/zinc/17/79/66/387177966.db2.gz SNISPNVAIXQXNM-GJZGRUSLSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000250924175 387177969 /nfs/dbraw/zinc/17/79/69/387177969.db2.gz SNISPNVAIXQXNM-GJZGRUSLSA-N 2 1 245.370 2.106 20 0 BEADMP CC[C@H]([NH2+][C@H](C)C[NH3+])c1ccc(F)cc1 ZINC000423332622 387179090 /nfs/dbraw/zinc/17/90/90/387179090.db2.gz QUZYAOWGASFNLM-SKDRFNHKSA-N 2 1 210.296 2.214 20 0 BEADMP Cn1cncc1CNc1cc2c(cn1)CCCC2 ZINC000336355061 387185054 /nfs/dbraw/zinc/18/50/54/387185054.db2.gz JKEPUHOTULBLHD-UHFFFAOYSA-N 2 1 242.326 2.306 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000423339370 387188282 /nfs/dbraw/zinc/18/82/82/387188282.db2.gz WOJZXTQRADDHLJ-NXEZZACHSA-N 2 1 242.313 2.223 20 0 BEADMP CCC[C@@H]([NH2+]CC1([NH3+])CCC1)c1cccnc1 ZINC000423341982 387189899 /nfs/dbraw/zinc/18/98/99/387189899.db2.gz YRDZYNKDWLZKSK-CYBMUJFWSA-N 2 1 233.359 2.394 20 0 BEADMP Cc1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)o1 ZINC000571881139 387191260 /nfs/dbraw/zinc/19/12/60/387191260.db2.gz UGXFHZDJOBSHJY-UHFFFAOYSA-N 2 1 248.370 2.347 20 0 BEADMP CC(C)(C)[C@H]1CC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423300736 387133502 /nfs/dbraw/zinc/13/35/02/387133502.db2.gz FFIKPTSZOWRXDZ-SRVKXCTJSA-N 2 1 210.365 2.153 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H]1CCOC ZINC000423302272 387135430 /nfs/dbraw/zinc/13/54/30/387135430.db2.gz VGDXJOYFKRWNDP-MJBXVCDLSA-N 2 1 242.407 2.299 20 0 BEADMP CC(C)CCOCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000119518547 387139273 /nfs/dbraw/zinc/13/92/73/387139273.db2.gz XZHWNNRZIWAMPW-KGLIPLIRSA-N 2 1 242.407 2.121 20 0 BEADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C[NH3+])[C@@H](C)C2 ZINC000423357359 387206796 /nfs/dbraw/zinc/20/67/96/387206796.db2.gz ACYZFOPSEBLXPQ-MJVIPROJSA-N 2 1 218.344 2.165 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCCC[C@H]1C ZINC000423356318 387208710 /nfs/dbraw/zinc/20/87/10/387208710.db2.gz GMWBLFFMPZZJOB-NDBYEHHHSA-N 2 1 210.365 2.153 20 0 BEADMP COc1ccccc1[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423358661 387211032 /nfs/dbraw/zinc/21/10/32/387211032.db2.gz JPULKXICIQWBSU-QWHCGFSZSA-N 2 1 248.370 2.488 20 0 BEADMP Cc1cnccc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000571991388 387214853 /nfs/dbraw/zinc/21/48/53/387214853.db2.gz YAQGCBFXQVHMLB-UHFFFAOYSA-N 2 1 247.386 2.354 20 0 BEADMP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+][C@@H](C)C[NH3+] ZINC000423367527 387219367 /nfs/dbraw/zinc/21/93/67/387219367.db2.gz MRGKYIGINCQNRE-GVXVVHGQSA-N 2 1 218.344 2.480 20 0 BEADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)C1CCSCC1 ZINC000423371252 387224687 /nfs/dbraw/zinc/22/46/87/387224687.db2.gz UYOJQCGPMLOQKW-NQBHXWOUSA-N 2 1 242.432 2.106 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)[C@H]1C[C@H]1C ZINC000423371755 387227596 /nfs/dbraw/zinc/22/75/96/387227596.db2.gz AUEXVVVRCPVCDE-VOAKCMCISA-N 2 1 224.392 2.399 20 0 BEADMP c1ccc2c(c1)CCC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C2 ZINC000643497133 387228552 /nfs/dbraw/zinc/22/85/52/387228552.db2.gz BBRBJKNFUIOHKF-CVEARBPZSA-N 2 1 244.382 2.276 20 0 BEADMP C[NH2+][C@H](C)C[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000423400857 387234665 /nfs/dbraw/zinc/23/46/65/387234665.db2.gz VIPGREXGSLBIMT-HIFRSBDPSA-N 2 1 234.387 2.451 20 0 BEADMP Cc1cccnc1[C@H]1CCC[C@H]([NH2+][C@@H](C)C[NH3+])C1 ZINC000423400255 387234947 /nfs/dbraw/zinc/23/49/47/387234947.db2.gz QCCZDNQLKOMPCN-IHRRRGAJSA-N 2 1 247.386 2.353 20 0 BEADMP Cc1ccnc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000353618570 387242952 /nfs/dbraw/zinc/24/29/52/387242952.db2.gz GQWFDXHCBOSPJL-CYBMUJFWSA-N 2 1 245.370 2.303 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000423408411 387244064 /nfs/dbraw/zinc/24/40/64/387244064.db2.gz XLVUOSKJCKBJOT-UWVGGRQHSA-N 2 1 242.313 2.223 20 0 BEADMP CSCC[N@H+](C)CCCCn1cc[nH+]c1C ZINC000120415065 387245008 /nfs/dbraw/zinc/24/50/08/387245008.db2.gz MZILUEVOOJNKOQ-UHFFFAOYSA-N 2 1 241.404 2.267 20 0 BEADMP CSCC[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000120415065 387245014 /nfs/dbraw/zinc/24/50/14/387245014.db2.gz MZILUEVOOJNKOQ-UHFFFAOYSA-N 2 1 241.404 2.267 20 0 BEADMP CCC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000423420569 387249413 /nfs/dbraw/zinc/24/94/13/387249413.db2.gz BOTJONGOMNQEDG-BARDWOONSA-N 2 1 230.355 2.335 20 0 BEADMP Cc1cc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc(C)c1F ZINC000423424172 387250981 /nfs/dbraw/zinc/25/09/81/387250981.db2.gz FLJPKNPPPNRTJS-MUYACECFSA-N 2 1 248.345 2.311 20 0 BEADMP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCC2 ZINC000423426761 387252130 /nfs/dbraw/zinc/25/21/30/387252130.db2.gz HYVOPVNBVGHNCZ-LJISPDSOSA-N 2 1 246.329 2.011 20 0 BEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1C[C@H]1C ZINC000321903004 387313876 /nfs/dbraw/zinc/31/38/76/387313876.db2.gz NYSWDCSEBISATE-BVMMLCNSSA-N 2 1 222.376 2.246 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000423466315 387314922 /nfs/dbraw/zinc/31/49/22/387314922.db2.gz NJIWPFITFLWVNU-VHSXEESVSA-N 2 1 212.362 2.444 20 0 BEADMP Cc1cncc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000423376416 387257195 /nfs/dbraw/zinc/25/71/95/387257195.db2.gz JETFOXCDPUZKAO-OBJOEFQTSA-N 2 1 233.359 2.181 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000423378221 387259760 /nfs/dbraw/zinc/25/97/60/387259760.db2.gz WGHXKKZJXPTFOA-TVQRCGJNSA-N 2 1 222.307 2.140 20 0 BEADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000423470906 387317225 /nfs/dbraw/zinc/31/72/25/387317225.db2.gz PKKMMMGBWACCGN-OPDFLTKYSA-N 2 1 236.359 2.088 20 0 BEADMP CCc1cccnc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423383376 387266063 /nfs/dbraw/zinc/26/60/63/387266063.db2.gz PCCLWPLGTPTAQM-DYEKYZERSA-N 2 1 247.386 2.435 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000423470279 387317364 /nfs/dbraw/zinc/31/73/64/387317364.db2.gz PCXPBYWFTKZUHK-BXUZGUMPSA-N 2 1 233.359 2.260 20 0 BEADMP COc1ccccc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000423386750 387270351 /nfs/dbraw/zinc/27/03/51/387270351.db2.gz ROSNDGGNVRIKSP-AVGNSLFASA-N 2 1 248.370 2.486 20 0 BEADMP Cc1ccnc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000423389536 387274454 /nfs/dbraw/zinc/27/44/54/387274454.db2.gz VCPBLLKVURCNGZ-FRRDWIJNSA-N 2 1 233.359 2.181 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000423470285 387317763 /nfs/dbraw/zinc/31/77/63/387317763.db2.gz PCXPBYWFTKZUHK-SMDDNHRTSA-N 2 1 233.359 2.260 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000423471786 387319295 /nfs/dbraw/zinc/31/92/95/387319295.db2.gz PZPJTNCHOKEXRM-FZMZJTMJSA-N 2 1 234.343 2.009 20 0 BEADMP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000423433344 387283608 /nfs/dbraw/zinc/28/36/08/387283608.db2.gz CFOPZZZHFGUMMZ-WDMOLILDSA-N 2 1 236.359 2.472 20 0 BEADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000423444272 387292314 /nfs/dbraw/zinc/29/23/14/387292314.db2.gz LNLZKBSTSDCOQO-ZETOZRRWSA-N 2 1 248.370 2.398 20 0 BEADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000423442106 387292688 /nfs/dbraw/zinc/29/26/88/387292688.db2.gz UVWOSLYSMQCTLT-DFBGVHRSSA-N 2 1 247.386 2.238 20 0 BEADMP CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccs1 ZINC000423443582 387293630 /nfs/dbraw/zinc/29/36/30/387293630.db2.gz VXLCCWIYJICESP-KLBPJQLPSA-N 2 1 222.357 2.007 20 0 BEADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000423449566 387297729 /nfs/dbraw/zinc/29/77/29/387297729.db2.gz RUXLIRNXFYKPJQ-SUNKGSAMSA-N 2 1 218.344 2.308 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCCOc2ccccc21 ZINC000423451464 387299343 /nfs/dbraw/zinc/29/93/43/387299343.db2.gz VDXJYBAMJOOLPJ-GVXVVHGQSA-N 2 1 234.343 2.226 20 0 BEADMP CCC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1cccnc1 ZINC000423453730 387301652 /nfs/dbraw/zinc/30/16/52/387301652.db2.gz XYFNCFFRBRKSRF-WZRBSPASSA-N 2 1 221.348 2.248 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000423456615 387304898 /nfs/dbraw/zinc/30/48/98/387304898.db2.gz DTHPEQXVHMHIBJ-ZJUUUORDSA-N 2 1 239.388 2.156 20 0 BEADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1cncc(F)c1 ZINC000423523210 387354852 /nfs/dbraw/zinc/35/48/52/387354852.db2.gz IDBPHWRIAJYWJX-JTQLQIEISA-N 2 1 237.322 2.013 20 0 BEADMP C([NH2+]C1CCC2(CC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000643502271 387363610 /nfs/dbraw/zinc/36/36/10/387363610.db2.gz BFLYIEZPENYPPB-CYBMUJFWSA-N 2 1 222.376 2.441 20 0 BEADMP Cc1cncc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)c1 ZINC000423564677 387378026 /nfs/dbraw/zinc/37/80/26/387378026.db2.gz RZRPCHZKQRHGOB-GFCCVEGCSA-N 2 1 233.359 2.183 20 0 BEADMP Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cs1 ZINC000423478095 387324513 /nfs/dbraw/zinc/32/45/13/387324513.db2.gz UKQGBLXULOZNEN-BBBLOLIVSA-N 2 1 212.362 2.443 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000423484236 387328726 /nfs/dbraw/zinc/32/87/26/387328726.db2.gz YLHJWMMWXIFKJY-UONOGXRCSA-N 2 1 233.359 2.250 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000423485220 387331631 /nfs/dbraw/zinc/33/16/31/387331631.db2.gz YZHXZBPHSOAWGU-BHDSKKPTSA-N 2 1 234.343 2.095 20 0 BEADMP CC[C@H]1C[C@@H]([NH2+]C[C@@H](C)[NH+](CC)CC)CCO1 ZINC000648562723 387334762 /nfs/dbraw/zinc/33/47/62/387334762.db2.gz KBDXXYUAKZGFPI-RDBSUJKOSA-N 2 1 242.407 2.264 20 0 BEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnccc2C)C1 ZINC000354147987 387336498 /nfs/dbraw/zinc/33/64/98/387336498.db2.gz VVWLIYICKLXHAJ-AWEZNQCLSA-N 2 1 247.386 2.212 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cnccc2C)C1 ZINC000354147987 387336504 /nfs/dbraw/zinc/33/65/04/387336504.db2.gz VVWLIYICKLXHAJ-AWEZNQCLSA-N 2 1 247.386 2.212 20 0 BEADMP CCC1CC([NH2+][C@H](C[NH3+])C2CCCC2)C1 ZINC000423496837 387338235 /nfs/dbraw/zinc/33/82/35/387338235.db2.gz FMYIRSUAVFTAOL-KGPNIALWSA-N 2 1 210.365 2.282 20 0 BEADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCC12CCC2)C1CCCC1 ZINC000423504063 387341952 /nfs/dbraw/zinc/34/19/52/387341952.db2.gz NJBPYMYPBTYQGK-CHWSQXEVSA-N 2 1 222.376 2.426 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CC[N@H+]1C ZINC000309805528 387343511 /nfs/dbraw/zinc/34/35/11/387343511.db2.gz SBQALMADEAEYSJ-AAEUAGOBSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CC[N@H+]1C ZINC000309805529 387343888 /nfs/dbraw/zinc/34/38/88/387343888.db2.gz SBQALMADEAEYSJ-DGCLKSJQSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccncc1 ZINC000423502137 387344020 /nfs/dbraw/zinc/34/40/20/387344020.db2.gz LUOZEOXQCBYZSM-FZMZJTMJSA-N 2 1 233.359 2.250 20 0 BEADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)[C@H]1C[C@H]1C ZINC000423509570 387344708 /nfs/dbraw/zinc/34/47/08/387344708.db2.gz RPPNKHLJOOYRPH-AAXDQBDMSA-N 2 1 210.365 2.138 20 0 BEADMP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)C1CC1 ZINC000423508773 387346257 /nfs/dbraw/zinc/34/62/57/387346257.db2.gz JGROYUMJGDAQTA-BYCMXARLSA-N 2 1 230.355 2.130 20 0 BEADMP Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000643454112 387383759 /nfs/dbraw/zinc/38/37/59/387383759.db2.gz WCKDPCSAZNOWIT-YIZRAAEISA-N 2 1 225.336 2.068 20 0 BEADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccnc1 ZINC000423516551 387350130 /nfs/dbraw/zinc/35/01/30/387350130.db2.gz YBCPZVWKQGRNNT-RISCZKNCSA-N 2 1 233.359 2.250 20 0 BEADMP CCSCC[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000374324430 387443667 /nfs/dbraw/zinc/44/36/67/387443667.db2.gz MCBQEGPNECPUFW-UHFFFAOYSA-N 2 1 242.432 2.300 20 0 BEADMP CC[NH2+]CC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000643505502 387449027 /nfs/dbraw/zinc/44/90/27/387449027.db2.gz VYZQELRQPZTQLC-HNNXBMFYSA-N 2 1 232.371 2.133 20 0 BEADMP Cn1c[nH+]cc1CCC[N@H+](C)C1CCCC1 ZINC000515666986 387415500 /nfs/dbraw/zinc/41/55/00/387415500.db2.gz DNLCRRBHEHGTBU-UHFFFAOYSA-N 2 1 221.348 2.227 20 0 BEADMP Cn1c[nH+]cc1CCC[N@@H+](C)C1CCCC1 ZINC000515666986 387415502 /nfs/dbraw/zinc/41/55/02/387415502.db2.gz DNLCRRBHEHGTBU-UHFFFAOYSA-N 2 1 221.348 2.227 20 0 BEADMP C[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)C1CC1 ZINC000643468309 387418915 /nfs/dbraw/zinc/41/89/15/387418915.db2.gz OMBPOJWXNIXIIW-UWVGGRQHSA-N 2 1 219.332 2.191 20 0 BEADMP C[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)C1CC1 ZINC000643468310 387419304 /nfs/dbraw/zinc/41/93/04/387419304.db2.gz OMBPOJWXNIXIIW-VHSXEESVSA-N 2 1 219.332 2.191 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](CC)C[C@H](C)OC ZINC000361570471 387495692 /nfs/dbraw/zinc/49/56/92/387495692.db2.gz WOIJZZLLVLCDOQ-ZDUSSCGKSA-N 2 1 230.396 2.075 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000355295867 387516243 /nfs/dbraw/zinc/51/62/43/387516243.db2.gz SFJNGIMXPOVDQQ-RDBSUJKOSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[C@H](CC)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000300414358 387520384 /nfs/dbraw/zinc/52/03/84/387520384.db2.gz KSEDWRBMDLJQQP-MELADBBJSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[C@H](CC)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000300414358 387520388 /nfs/dbraw/zinc/52/03/88/387520388.db2.gz KSEDWRBMDLJQQP-MELADBBJSA-N 2 1 240.391 2.018 20 0 BEADMP CC[N@H+]1CC[C@H](N(C)CC2(F)CC2)C[C@H]1C ZINC000527219146 387539985 /nfs/dbraw/zinc/53/99/85/387539985.db2.gz IHRZLMUDOXDWIL-NEPJUHHUSA-N 2 1 228.355 2.293 20 0 BEADMP CC[N@@H+](CCCn1ccnc1)CC1CCC1 ZINC000361484274 387468200 /nfs/dbraw/zinc/46/82/00/387468200.db2.gz IPPDTJQPSXRNSI-UHFFFAOYSA-N 2 1 221.348 2.395 20 0 BEADMP CC[C@H]1CCC[C@H]([NH2+]CC[NH2+]C2CC2)C1 ZINC000643507020 387475990 /nfs/dbraw/zinc/47/59/90/387475990.db2.gz QBOLIYADXGPWJA-AAEUAGOBSA-N 2 1 210.365 2.297 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c(C)n1 ZINC000643512601 387596219 /nfs/dbraw/zinc/59/62/19/387596219.db2.gz HZWVBWBNQHTZIT-RISCZKNCSA-N 2 1 233.359 2.086 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@H]1CCCc2ccccc2C1)C1CC1 ZINC000643512852 387596986 /nfs/dbraw/zinc/59/69/86/387596986.db2.gz DGEWECCOQOHZGN-HOTGVXAUSA-N 2 1 244.382 2.261 20 0 BEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(C2CC2)c1 ZINC000422551350 387599634 /nfs/dbraw/zinc/59/96/34/387599634.db2.gz DKJLINGCUANIPC-MNOVXSKESA-N 2 1 218.344 2.389 20 0 BEADMP Cc1nc([C@H](C)[NH2+]C[C@H](C)C[NH3+])c(C)s1 ZINC000643514784 387600151 /nfs/dbraw/zinc/60/01/51/387600151.db2.gz BUNQFXAQZTWJFR-SFYZADRCSA-N 2 1 227.377 2.005 20 0 BEADMP Cc1nccn1CCC[N@H+]1CC(C)=C[C@H](C)C1 ZINC000430266681 387603743 /nfs/dbraw/zinc/60/37/43/387603743.db2.gz YLRVFINZTFIUEM-LBPRGKRZSA-N 2 1 233.359 2.480 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC(C)=C[C@H](C)C1 ZINC000430266681 387603747 /nfs/dbraw/zinc/60/37/47/387603747.db2.gz YLRVFINZTFIUEM-LBPRGKRZSA-N 2 1 233.359 2.480 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CC(C)=C[C@H](C)C1 ZINC000430266681 387603752 /nfs/dbraw/zinc/60/37/52/387603752.db2.gz YLRVFINZTFIUEM-LBPRGKRZSA-N 2 1 233.359 2.480 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000122606309 387567848 /nfs/dbraw/zinc/56/78/48/387567848.db2.gz NMDQGKFPPMALIF-GFCCVEGCSA-N 2 1 221.348 2.360 20 0 BEADMP C[C@](C[NH3+])([NH2+]CCCOc1ccccc1)C1CC1 ZINC000430581177 387631783 /nfs/dbraw/zinc/63/17/83/387631783.db2.gz SWDDLYYOMZHCNJ-OAHLLOKOSA-N 2 1 248.370 2.173 20 0 BEADMP COCCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166395611 387641722 /nfs/dbraw/zinc/64/17/22/387641722.db2.gz CAOAORRTKFXVRY-UONOGXRCSA-N 2 1 240.391 2.020 20 0 BEADMP Cc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)ccn1 ZINC000527639384 387648896 /nfs/dbraw/zinc/64/88/96/387648896.db2.gz BNJJDFIPSHAQGW-CYBMUJFWSA-N 2 1 247.386 2.212 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000527639396 387649047 /nfs/dbraw/zinc/64/90/47/387649047.db2.gz CAKNMCPHBNGGHK-DHMWGJHJSA-N 2 1 236.403 2.352 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000527639399 387649092 /nfs/dbraw/zinc/64/90/92/387649092.db2.gz CAKNMCPHBNGGHK-UXOAXIEHSA-N 2 1 236.403 2.352 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)CCC(F)(F)F ZINC000149456584 387652309 /nfs/dbraw/zinc/65/23/09/387652309.db2.gz CVLDNGFGUQLBHL-SECBINFHSA-N 2 1 226.286 2.244 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC(F)(F)F ZINC000149456584 387652316 /nfs/dbraw/zinc/65/23/16/387652316.db2.gz CVLDNGFGUQLBHL-SECBINFHSA-N 2 1 226.286 2.244 20 0 BEADMP Cc1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)ccn1 ZINC000527668233 387654368 /nfs/dbraw/zinc/65/43/68/387654368.db2.gz AKQPKEUOGCRVSY-LSDHHAIUSA-N 2 1 247.386 2.352 20 0 BEADMP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)ccn1 ZINC000527651605 387659875 /nfs/dbraw/zinc/65/98/75/387659875.db2.gz ZWYOLPDAVOUVLJ-OAHLLOKOSA-N 2 1 247.386 2.210 20 0 BEADMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)ccn1 ZINC000527651605 387659879 /nfs/dbraw/zinc/65/98/79/387659879.db2.gz ZWYOLPDAVOUVLJ-OAHLLOKOSA-N 2 1 247.386 2.210 20 0 BEADMP Cc1ccccc1CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422756608 387660139 /nfs/dbraw/zinc/66/01/39/387660139.db2.gz LWOWQDABMPXESO-DZGCQCFKSA-N 2 1 232.371 2.125 20 0 BEADMP Cc1ccccc1CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422756614 387660235 /nfs/dbraw/zinc/66/02/35/387660235.db2.gz LWOWQDABMPXESO-ZFWWWQNUSA-N 2 1 232.371 2.125 20 0 BEADMP CCc1ccc(CC[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000430953866 387662727 /nfs/dbraw/zinc/66/27/27/387662727.db2.gz DBSYYHOIQGLIPA-XJKSGUPXSA-N 2 1 246.398 2.461 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527656710 387662922 /nfs/dbraw/zinc/66/29/22/387662922.db2.gz JBDSYYVYTCHZHH-JURCDPSOSA-N 2 1 236.403 2.352 20 0 BEADMP COc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422774397 387673307 /nfs/dbraw/zinc/67/33/07/387673307.db2.gz WVFFQHAHDVPESI-GJZGRUSLSA-N 2 1 248.370 2.445 20 0 BEADMP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422782184 387681475 /nfs/dbraw/zinc/68/14/75/387681475.db2.gz JNXBMIXBICHWIF-NWDGAFQWSA-N 2 1 248.370 2.262 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1CC=CC1 ZINC000527744394 387690118 /nfs/dbraw/zinc/69/01/18/387690118.db2.gz MHACVGSIKNVBSO-UHFFFAOYSA-N 2 1 231.343 2.203 20 0 BEADMP CC[C@H](F)CN(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000440770707 387690833 /nfs/dbraw/zinc/69/08/33/387690833.db2.gz KSZSYUCCHGMPGZ-FRRDWIJNSA-N 2 1 230.371 2.397 20 0 BEADMP CC[C@H](F)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000440770707 387690836 /nfs/dbraw/zinc/69/08/36/387690836.db2.gz KSZSYUCCHGMPGZ-FRRDWIJNSA-N 2 1 230.371 2.397 20 0 BEADMP CC[C@H](F)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000440770707 387690838 /nfs/dbraw/zinc/69/08/38/387690838.db2.gz KSZSYUCCHGMPGZ-FRRDWIJNSA-N 2 1 230.371 2.397 20 0 BEADMP CCc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])s1 ZINC000422870624 387748715 /nfs/dbraw/zinc/74/87/15/387748715.db2.gz ZCRMOGZJYNSZNN-NEPJUHHUSA-N 2 1 224.373 2.280 20 0 BEADMP CC[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(C)cc1 ZINC000643526255 387749362 /nfs/dbraw/zinc/74/93/62/387749362.db2.gz WLSUMWMMBZDOSE-YPMHNXCESA-N 2 1 206.333 2.383 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC12CC2 ZINC000527846509 387753489 /nfs/dbraw/zinc/75/34/89/387753489.db2.gz FPKRAKOIHQRHSD-OBJOEFQTSA-N 2 1 234.387 2.249 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCCS1)[C@H]1CCCC[NH2+]1 ZINC000422876867 387754037 /nfs/dbraw/zinc/75/40/37/387754037.db2.gz QUWKHNBHAHUXKQ-IJLUTSLNSA-N 2 1 228.405 2.002 20 0 BEADMP COCC[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000045017652 387700848 /nfs/dbraw/zinc/70/08/48/387700848.db2.gz XFELAOGTECLDIA-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP COCC[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000045017650 387701080 /nfs/dbraw/zinc/70/10/80/387701080.db2.gz XFELAOGTECLDIA-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CC23CC3)C1 ZINC000527849188 387755022 /nfs/dbraw/zinc/75/50/22/387755022.db2.gz KSDOVBIZQVIOMC-YNEHKIRRSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@H](CCc1ccco1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000643520937 387709904 /nfs/dbraw/zinc/70/99/04/387709904.db2.gz FZUZMWQFMGUXBG-SCRDCRAPSA-N 2 1 236.359 2.188 20 0 BEADMP C[C@H](CCc1ccco1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000643520938 387710768 /nfs/dbraw/zinc/71/07/68/387710768.db2.gz FZUZMWQFMGUXBG-YRGRVCCFSA-N 2 1 236.359 2.188 20 0 BEADMP CO[C@@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)C(C)(C)C ZINC000422813739 387711028 /nfs/dbraw/zinc/71/10/28/387711028.db2.gz SHSKBMYANXIAOY-UPJWGTAASA-N 2 1 242.407 2.168 20 0 BEADMP Cc1cccc(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422844062 387730605 /nfs/dbraw/zinc/73/06/05/387730605.db2.gz KSKFYSSIUNHHOT-ZFWWWQNUSA-N 2 1 232.371 2.125 20 0 BEADMP Cc1nccn1CC[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000528774096 387735503 /nfs/dbraw/zinc/73/55/03/387735503.db2.gz SZDPWWDOKUJXSW-JTQLQIEISA-N 2 1 243.301 2.311 20 0 BEADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cscn1 ZINC000643524113 387735874 /nfs/dbraw/zinc/73/58/74/387735874.db2.gz KHAJQEQZQBKIPF-AEJSXWLSSA-N 2 1 225.361 2.064 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000356877077 387738971 /nfs/dbraw/zinc/73/89/71/387738971.db2.gz RVNCSHIRFXTCBH-KGLIPLIRSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2ccccc21 ZINC000643526116 387756104 /nfs/dbraw/zinc/75/61/04/387756104.db2.gz PNYXBUAEFYZKSV-ZWNOBZJWSA-N 2 1 204.317 2.001 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000643527103 387762621 /nfs/dbraw/zinc/76/26/21/387762621.db2.gz DAPZOIULUCGSOY-GXFFZTMASA-N 2 1 218.344 2.346 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000643528295 387767526 /nfs/dbraw/zinc/76/75/26/387767526.db2.gz GQAVOENGGCGAPD-IUCAKERBSA-N 2 1 224.373 2.235 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000643528293 387767660 /nfs/dbraw/zinc/76/76/60/387767660.db2.gz GQAVOENGGCGAPD-BDAKNGLRSA-N 2 1 224.373 2.235 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000643528345 387768519 /nfs/dbraw/zinc/76/85/19/387768519.db2.gz HIIKFTHUNBIMKR-QPUJVOFHSA-N 2 1 224.735 2.264 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(C)CCCC1 ZINC000422959979 387812061 /nfs/dbraw/zinc/81/20/61/387812061.db2.gz UWQYRMSXGVTIFU-VXGBXAGGSA-N 2 1 210.365 2.154 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000643529220 387774688 /nfs/dbraw/zinc/77/46/88/387774688.db2.gz WZSLMNJQCYBMHK-ZWNOBZJWSA-N 2 1 222.332 2.083 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000643528166 387774933 /nfs/dbraw/zinc/77/49/33/387774933.db2.gz DUFHKGIIYBRKKM-RISCZKNCSA-N 2 1 218.344 2.465 20 0 BEADMP COc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])c(C)c1 ZINC000643529687 387776825 /nfs/dbraw/zinc/77/68/25/387776825.db2.gz NCJKJDRTWCYZKQ-WDEREUQCSA-N 2 1 222.332 2.001 20 0 BEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1nc(C2CC2)cs1 ZINC000422925280 387779903 /nfs/dbraw/zinc/77/99/03/387779903.db2.gz ATYOXTCTMMBGSH-RKDXNWHRSA-N 2 1 239.388 2.236 20 0 BEADMP CC(C)CC1(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422928836 387781558 /nfs/dbraw/zinc/78/15/58/387781558.db2.gz MYBAAUGKKXYXTB-CHWSQXEVSA-N 2 1 224.392 2.400 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CC2CC=CC2)CC[N@H+]1C ZINC000527945547 387781449 /nfs/dbraw/zinc/78/14/49/387781449.db2.gz SGIYLIYGBRAERS-AAEUAGOBSA-N 2 1 208.349 2.025 20 0 BEADMP C[C@H]([NH2+]CC1CCCC1)c1c[nH+]ccc1N ZINC000422900990 387784627 /nfs/dbraw/zinc/78/46/27/387784627.db2.gz RJKRXXOCFMKTFB-JTQLQIEISA-N 2 1 219.332 2.335 20 0 BEADMP CCC(CC)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432423227 387788079 /nfs/dbraw/zinc/78/80/79/387788079.db2.gz IXVBDLDWHWWQAB-ZDUSSCGKSA-N 2 1 242.407 2.266 20 0 BEADMP CCC(CC)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432423227 387788082 /nfs/dbraw/zinc/78/80/82/387788082.db2.gz IXVBDLDWHWWQAB-ZDUSSCGKSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432424864 387788328 /nfs/dbraw/zinc/78/83/28/387788328.db2.gz KEYPZWMOGLYQDQ-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432424864 387788335 /nfs/dbraw/zinc/78/83/35/387788335.db2.gz KEYPZWMOGLYQDQ-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000422980289 387791813 /nfs/dbraw/zinc/79/18/13/387791813.db2.gz LJBARCUUJVEAGC-DZGCQCFKSA-N 2 1 232.371 2.125 20 0 BEADMP Cc1ccc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422980112 387791908 /nfs/dbraw/zinc/79/19/08/387791908.db2.gz KVNZMXPMZQQTPM-UKRRQHHQSA-N 2 1 232.371 2.268 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422952045 387807808 /nfs/dbraw/zinc/80/78/08/387807808.db2.gz BKXJXRBHMZLXST-LPWJVIDDSA-N 2 1 210.365 2.153 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1cccc(F)c1 ZINC000643526589 387756912 /nfs/dbraw/zinc/75/69/12/387756912.db2.gz BSYZADJGBYUECZ-BXKDBHETSA-N 2 1 210.296 2.214 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000643526894 387761485 /nfs/dbraw/zinc/76/14/85/387761485.db2.gz BFRABKHSKSZLDM-BFVZDQMLSA-N 2 1 236.334 2.386 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432796994 387823918 /nfs/dbraw/zinc/82/39/18/387823918.db2.gz JMJIMIQSQHVICG-JHJVBQTASA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)CSCCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423009561 387833594 /nfs/dbraw/zinc/83/35/94/387833594.db2.gz DJALZZCDZUMZMM-CHWSQXEVSA-N 2 1 244.448 2.353 20 0 BEADMP Cc1ccsc1CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423012677 387836701 /nfs/dbraw/zinc/83/67/01/387836701.db2.gz DMLHVQBHBGFRHW-PWSUYJOCSA-N 2 1 238.400 2.187 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC12CCC(CC1)C2 ZINC000423018208 387841403 /nfs/dbraw/zinc/84/14/03/387841403.db2.gz YKSITDLEHKWFFB-RJZJGCCBSA-N 2 1 222.376 2.154 20 0 BEADMP CS[C@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)C(C)(C)C ZINC000423027834 387843169 /nfs/dbraw/zinc/84/31/69/387843169.db2.gz FDHIDYMNKJBXRC-GRYCIOLGSA-N 2 1 244.448 2.352 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCCCS1)[C@@H]1CCCC[NH2+]1 ZINC000423033270 387848292 /nfs/dbraw/zinc/84/82/92/387848292.db2.gz NXZCDPAUSGAECU-AGIUHOORSA-N 2 1 242.432 2.392 20 0 BEADMP C[C@H]([NH2+]CC[C@@H]1CCCCO1)c1c[nH+]ccc1N ZINC000423040326 387854128 /nfs/dbraw/zinc/85/41/28/387854128.db2.gz GUYXRGDYUAXBAU-RYUDHWBXSA-N 2 1 249.358 2.104 20 0 BEADMP CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423042238 387856121 /nfs/dbraw/zinc/85/61/21/387856121.db2.gz YTGLDEJHWUOTKF-LPEHRKFASA-N 2 1 238.297 2.448 20 0 BEADMP C[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)C(F)(F)F ZINC000423051312 387860927 /nfs/dbraw/zinc/86/09/27/387860927.db2.gz NBLXFDIHFHFVIH-SFYZADRCSA-N 2 1 247.264 2.343 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1c[nH+]ccc1N ZINC000423064519 387867604 /nfs/dbraw/zinc/86/76/04/387867604.db2.gz RNODIVZCJBCJTD-GMTAPVOTSA-N 2 1 219.332 2.333 20 0 BEADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccco1 ZINC000422964221 387814877 /nfs/dbraw/zinc/81/48/77/387814877.db2.gz KUHMDJOFSDODGN-SDDRHHMPSA-N 2 1 222.332 2.318 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000442660760 387816026 /nfs/dbraw/zinc/81/60/26/387816026.db2.gz MOKSMMHYXKVHCJ-SGMGOOAPSA-N 2 1 218.344 2.212 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000442660759 387816975 /nfs/dbraw/zinc/81/69/75/387816975.db2.gz MOKSMMHYXKVHCJ-SCRDCRAPSA-N 2 1 218.344 2.212 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000442660754 387817092 /nfs/dbraw/zinc/81/70/92/387817092.db2.gz MOKSMMHYXKVHCJ-OBJOEFQTSA-N 2 1 218.344 2.212 20 0 BEADMP Cc1ccccc1OCCC[N@@H+](C)C[C@@H](C)[NH3+] ZINC000442661878 387817605 /nfs/dbraw/zinc/81/76/05/387817605.db2.gz OVDUKLMCTYXMMV-CYBMUJFWSA-N 2 1 236.359 2.043 20 0 BEADMP Cc1ccccc1OCCC[N@H+](C)C[C@@H](C)[NH3+] ZINC000442661878 387817607 /nfs/dbraw/zinc/81/76/07/387817607.db2.gz OVDUKLMCTYXMMV-CYBMUJFWSA-N 2 1 236.359 2.043 20 0 BEADMP [NH3+][C@H]1C[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)c2ccccc21 ZINC000423107619 387890993 /nfs/dbraw/zinc/89/09/93/387890993.db2.gz LDQOBMSMPPUVKY-BJDJZHNGSA-N 2 1 238.281 2.374 20 0 BEADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)c2ccccc21 ZINC000423107621 387892130 /nfs/dbraw/zinc/89/21/30/387892130.db2.gz LDQOBMSMPPUVKY-USZNOCQGSA-N 2 1 238.281 2.374 20 0 BEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H]1C ZINC000423109604 387892898 /nfs/dbraw/zinc/89/28/98/387892898.db2.gz NXMFEFDGVWISLL-JURCDPSOSA-N 2 1 232.371 2.333 20 0 BEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]1C ZINC000423109606 387894349 /nfs/dbraw/zinc/89/43/49/387894349.db2.gz NXMFEFDGVWISLL-VIRABCJISA-N 2 1 232.371 2.333 20 0 BEADMP Cc1cccc(CCC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)n1 ZINC000423113387 387896470 /nfs/dbraw/zinc/89/64/70/387896470.db2.gz YQKXQOKPUMYHDW-UKRRQHHQSA-N 2 1 247.386 2.053 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1C[C@@H]1C ZINC000322068560 387875537 /nfs/dbraw/zinc/87/55/37/387875537.db2.gz SECLLWXUOXFXOR-ZSLBOAEBSA-N 2 1 224.392 2.493 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1C[C@@H]1C ZINC000322068560 387875542 /nfs/dbraw/zinc/87/55/42/387875542.db2.gz SECLLWXUOXFXOR-ZSLBOAEBSA-N 2 1 224.392 2.493 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(C)nc1C ZINC000643540612 387881722 /nfs/dbraw/zinc/88/17/22/387881722.db2.gz YHZCSQVAJDKTTO-ZYHUDNBSSA-N 2 1 221.348 2.086 20 0 BEADMP CSC1(C[NH2+][C@H](C)c2c[nH+]ccc2N)CC1 ZINC000423091491 387882522 /nfs/dbraw/zinc/88/25/22/387882522.db2.gz XGBNZGLJIADOPC-SECBINFHSA-N 2 1 237.372 2.040 20 0 BEADMP C[NH+](C)C1CC[NH+](CC2=CCCC2)CC1 ZINC000645775960 387900066 /nfs/dbraw/zinc/90/00/66/387900066.db2.gz NQHWRIGPOOSKRV-UHFFFAOYSA-N 2 1 208.349 2.123 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccco1 ZINC000168718911 387904812 /nfs/dbraw/zinc/90/48/12/387904812.db2.gz LUWVHJDHMSWQOK-GHMZBOCLSA-N 2 1 208.305 2.072 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1c[nH+]ccc1N ZINC000423126729 387905643 /nfs/dbraw/zinc/90/56/43/387905643.db2.gz OQEGATQCHPJKEQ-LPEHRKFASA-N 2 1 223.295 2.035 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000423131756 387909874 /nfs/dbraw/zinc/90/98/74/387909874.db2.gz IKXRHERYUJERJL-IKWCTNDRSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000423138037 387915695 /nfs/dbraw/zinc/91/56/95/387915695.db2.gz RUMXLBMWUSBFSW-AAEUAGOBSA-N 2 1 224.392 2.400 20 0 BEADMP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423157448 387936775 /nfs/dbraw/zinc/93/67/75/387936775.db2.gz BDABJYVZVUMSHB-XDQVBPFNSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@@H]([NH2+]Cc1cc(C2CC2)ccc1F)C1C[NH2+]C1 ZINC000423145825 387923550 /nfs/dbraw/zinc/92/35/50/387923550.db2.gz MSOQDCWXGMGSNM-SNVBAGLBSA-N 2 1 248.345 2.401 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)C1CCC1 ZINC000423150241 387928496 /nfs/dbraw/zinc/92/84/96/387928496.db2.gz ILYQAMUGHOCHQA-DGCLKSJQSA-N 2 1 224.392 2.400 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424288181 387953276 /nfs/dbraw/zinc/95/32/76/387953276.db2.gz IGLOJIYQASLAGX-UQOMUDLDSA-N 2 1 236.403 2.352 20 0 BEADMP COC1CCC([NH2+][C@@H](C)c2c[nH+]ccc2N)CC1 ZINC000423169277 387954175 /nfs/dbraw/zinc/95/41/75/387954175.db2.gz IUXFTYHLOAYVKU-UNXYVOJBSA-N 2 1 249.358 2.102 20 0 BEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000423171133 387955999 /nfs/dbraw/zinc/95/59/99/387955999.db2.gz ZLTDTRIZLHKGGM-YIYPIFLZSA-N 2 1 240.391 2.063 20 0 BEADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)[C@@H]1C[C@@H]1C ZINC000321070018 387943214 /nfs/dbraw/zinc/94/32/14/387943214.db2.gz KGSAJKQINZFVRT-UHTWSYAYSA-N 2 1 221.348 2.216 20 0 BEADMP C[C@@H](CCC[NH3+])[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000423161418 387943571 /nfs/dbraw/zinc/94/35/71/387943571.db2.gz NUOBNXWEWZNJFC-QWHCGFSZSA-N 2 1 242.432 2.333 20 0 BEADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)[C@H]1C[C@H]1C ZINC000321070020 387943659 /nfs/dbraw/zinc/94/36/59/387943659.db2.gz KGSAJKQINZFVRT-WXHSDQCUSA-N 2 1 221.348 2.216 20 0 BEADMP CC[C@H](C)[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)OC ZINC000423162856 387944121 /nfs/dbraw/zinc/94/41/21/387944121.db2.gz UJTVRSBOZBRCOD-IGQOVBAYSA-N 2 1 242.407 2.168 20 0 BEADMP CC[C@H]([NH2+]CCc1ccc(C)cn1)[C@@H]1CCC[NH2+]1 ZINC000423163580 387946130 /nfs/dbraw/zinc/94/61/30/387946130.db2.gz MVIMIUSLAXIVIV-GJZGRUSLSA-N 2 1 247.386 2.053 20 0 BEADMP Cc1occc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000321096797 387947104 /nfs/dbraw/zinc/94/71/04/387947104.db2.gz ROXNAHBMBLOKPC-GFCCVEGCSA-N 2 1 236.359 2.410 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2C=CCCC2)C1 ZINC000245466131 387947718 /nfs/dbraw/zinc/94/77/18/387947718.db2.gz YVCXIVFZSRNSGZ-UONOGXRCSA-N 2 1 222.376 2.369 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000245466131 387947724 /nfs/dbraw/zinc/94/77/24/387947724.db2.gz YVCXIVFZSRNSGZ-UONOGXRCSA-N 2 1 222.376 2.369 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000245466131 387947727 /nfs/dbraw/zinc/94/77/27/387947727.db2.gz YVCXIVFZSRNSGZ-UONOGXRCSA-N 2 1 222.376 2.369 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)[C@H]1C[C@H]1C ZINC000321096411 387948203 /nfs/dbraw/zinc/94/82/03/387948203.db2.gz OGMGPKLYCBCSQK-RFGFWPKPSA-N 2 1 224.392 2.352 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1C ZINC000321097756 387948510 /nfs/dbraw/zinc/94/85/10/387948510.db2.gz OKQWFHGOOLBSSH-OSRDXIQISA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1[C@H](C)SCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245605392 387965379 /nfs/dbraw/zinc/96/53/79/387965379.db2.gz JYMAPSHBYWEFBV-FRRDWIJNSA-N 2 1 242.432 2.297 20 0 BEADMP C[C@@H]1[C@H](C)SCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245605392 387965383 /nfs/dbraw/zinc/96/53/83/387965383.db2.gz JYMAPSHBYWEFBV-FRRDWIJNSA-N 2 1 242.432 2.297 20 0 BEADMP C[C@@H]1[C@H](C)SCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245605392 387965387 /nfs/dbraw/zinc/96/53/87/387965387.db2.gz JYMAPSHBYWEFBV-FRRDWIJNSA-N 2 1 242.432 2.297 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)[C@H](C)C1 ZINC000424319583 387969221 /nfs/dbraw/zinc/96/92/21/387969221.db2.gz FEKSCFMAMSUSRE-FAAHXZRKSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424323264 387970963 /nfs/dbraw/zinc/97/09/63/387970963.db2.gz IWWDOTPNRVVLFK-SCUASFONSA-N 2 1 222.376 2.105 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424323264 387970968 /nfs/dbraw/zinc/97/09/68/387970968.db2.gz IWWDOTPNRVVLFK-SCUASFONSA-N 2 1 222.376 2.105 20 0 BEADMP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000453051383 387973445 /nfs/dbraw/zinc/97/34/45/387973445.db2.gz BEVUKRLPUUTTCY-WUHRBBMRSA-N 2 1 210.365 2.247 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000245701717 387975015 /nfs/dbraw/zinc/97/50/15/387975015.db2.gz XUPHFIQYOBGQSB-MGPQQGTHSA-N 2 1 222.376 2.203 20 0 BEADMP C1CC1[NH+]1CCC([NH2+][C@@H]2C[C@H]2C2CCC2)CC1 ZINC000424330456 387975026 /nfs/dbraw/zinc/97/50/26/387975026.db2.gz QQZFFNRDEQCZTB-LSDHHAIUSA-N 2 1 234.387 2.391 20 0 BEADMP [NH3+]CC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000423192035 387977345 /nfs/dbraw/zinc/97/73/45/387977345.db2.gz VEPULRPNHJWIGW-STQMWFEESA-N 2 1 222.307 2.010 20 0 BEADMP [NH3+]CC[NH2+][C@@H]1CCC[C@H]1CCc1ccccc1 ZINC000423192458 387978160 /nfs/dbraw/zinc/97/81/60/387978160.db2.gz VLMQWCPZVZMARG-LSDHHAIUSA-N 2 1 232.371 2.336 20 0 BEADMP C[C@@H](CCCC[NH3+])[NH2+]CC1(N)CCCCCC1 ZINC000423202561 387990066 /nfs/dbraw/zinc/99/00/66/387990066.db2.gz RBJPCKIOVZNDFI-ZDUSSCGKSA-N 2 1 241.423 2.145 20 0 BEADMP C[NH2+]CCC[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000423199684 387986097 /nfs/dbraw/zinc/98/60/97/387986097.db2.gz KMTIRFWMQFPSJV-LBPRGKRZSA-N 2 1 236.359 2.264 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[NH2+]C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423217066 387999706 /nfs/dbraw/zinc/99/97/06/387999706.db2.gz RLRVFSRIVJMSES-MXAVVETBSA-N 2 1 230.355 2.130 20 0 BEADMP C[NH2+]CC[NH2+][C@H](CCc1ccccc1)C(C)C ZINC000423225602 388007626 /nfs/dbraw/zinc/00/76/26/388007626.db2.gz NLLHSDAIAMLMJQ-OAHLLOKOSA-N 2 1 234.387 2.453 20 0 BEADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000530460308 322813561 /nfs/dbraw/zinc/81/35/61/322813561.db2.gz JXITUXYYOGSRTJ-KBPBESRZSA-N 2 1 235.375 2.377 20 0 BEADMP C[NH2+]CC[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000423226523 388009111 /nfs/dbraw/zinc/00/91/11/388009111.db2.gz RBHFIRKJNYIBGA-KGLIPLIRSA-N 2 1 232.371 2.378 20 0 BEADMP C[NH2+]CC[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000423239983 388023783 /nfs/dbraw/zinc/02/37/83/388023783.db2.gz GMZYKCAXDHMSAX-LLVKDONJSA-N 2 1 232.327 2.173 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000423243280 388026201 /nfs/dbraw/zinc/02/62/01/388026201.db2.gz JYXFKDXCJNCVBM-HNNXBMFYSA-N 2 1 234.387 2.453 20 0 BEADMP CC[C@@H](C)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246151573 388013895 /nfs/dbraw/zinc/01/38/95/388013895.db2.gz CDPFHFWLGWJEDL-KGLIPLIRSA-N 2 1 224.392 2.450 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000423231924 388016902 /nfs/dbraw/zinc/01/69/02/388016902.db2.gz HMDARNNJVIZZHM-CHWSQXEVSA-N 2 1 212.381 2.400 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000453303020 388039642 /nfs/dbraw/zinc/03/96/42/388039642.db2.gz BAXWELFZJNIBHZ-KHMAMNHCSA-N 2 1 236.403 2.495 20 0 BEADMP COCC[C@@H]1CCC[C@H]1[NH2+][C@H](C[NH3+])CC(C)C ZINC000423262795 388039733 /nfs/dbraw/zinc/03/97/33/388039733.db2.gz NLSRMKIHVJKQDC-MELADBBJSA-N 2 1 242.407 2.155 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000423264861 388042086 /nfs/dbraw/zinc/04/20/86/388042086.db2.gz CJDSETBFBLVZFQ-ABAIWWIYSA-N 2 1 248.370 2.351 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)[C@H](C)O1 ZINC000423263472 388042146 /nfs/dbraw/zinc/04/21/46/388042146.db2.gz OKSVSCOODVWDDW-XWUBHJNHSA-N 2 1 240.391 2.050 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000423264862 388042291 /nfs/dbraw/zinc/04/22/91/388042291.db2.gz CJDSETBFBLVZFQ-IAQYHMDHSA-N 2 1 248.370 2.351 20 0 BEADMP CCC[C@H]([NH2+]CC[NH2+]CC)C(C)(C)C ZINC000423245504 388027815 /nfs/dbraw/zinc/02/78/15/388027815.db2.gz YJVBWNCUXZPVBY-NSHDSACASA-N 2 1 200.370 2.400 20 0 BEADMP C[NH2+]CC[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000423247393 388030828 /nfs/dbraw/zinc/03/08/28/388030828.db2.gz PBAWILXRHVXRLY-KGLIPLIRSA-N 2 1 247.386 2.225 20 0 BEADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423273845 388052704 /nfs/dbraw/zinc/05/27/04/388052704.db2.gz JQAWTRIGDAOUEW-CQDKDKBSSA-N 2 1 248.370 2.090 20 0 BEADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423273847 388053914 /nfs/dbraw/zinc/05/39/14/388053914.db2.gz JQAWTRIGDAOUEW-GLQYFDAESA-N 2 1 248.370 2.090 20 0 BEADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)C1CC1 ZINC000423275024 388055386 /nfs/dbraw/zinc/05/53/86/388055386.db2.gz LHZLZFGBYWVDSD-ZIAGYGMSSA-N 2 1 234.318 2.140 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCCOc2ccccc21 ZINC000423276338 388057453 /nfs/dbraw/zinc/05/74/53/388057453.db2.gz OJZQHSHNNMXXNA-KGLIPLIRSA-N 2 1 248.370 2.473 20 0 BEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(F)c1 ZINC000423277247 388058079 /nfs/dbraw/zinc/05/80/79/388058079.db2.gz OCCBYBPLAWJJFV-TVQRCGJNSA-N 2 1 222.307 2.214 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000423276971 388059049 /nfs/dbraw/zinc/05/90/49/388059049.db2.gz PBUGZUSGHFOECJ-ONGXEEELSA-N 2 1 210.321 2.094 20 0 BEADMP [NH3+]C[C@@H]([NH2+]Cc1ccccc1)C1CCCC1 ZINC000083764284 388060352 /nfs/dbraw/zinc/06/03/52/388060352.db2.gz MNBLFHGZFYBERA-CQSZACIVSA-N 2 1 218.344 2.294 20 0 BEADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000453362259 388060405 /nfs/dbraw/zinc/06/04/05/388060405.db2.gz QYNAGTXDMHYPFM-RFGFWPKPSA-N 2 1 224.392 2.351 20 0 BEADMP Cc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])no1 ZINC000423282552 388065110 /nfs/dbraw/zinc/06/51/10/388065110.db2.gz VLHMQNUIXOYZMY-QJPTWQEYSA-N 2 1 237.347 2.151 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000453382598 388065996 /nfs/dbraw/zinc/06/59/96/388065996.db2.gz ZGAWKLKUJCFQBH-MFHWUAJNSA-N 2 1 236.403 2.351 20 0 BEADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccccc1N(C)C ZINC000423282524 388066026 /nfs/dbraw/zinc/06/60/26/388066026.db2.gz VITHVKPVKWFCBX-RISCZKNCSA-N 2 1 247.386 2.141 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@H](C[NH3+])C2CC2)[C@@H]1C ZINC000423284611 388066443 /nfs/dbraw/zinc/06/64/43/388066443.db2.gz XBMNOWDEKJABFA-VCDKRKBESA-N 2 1 210.365 2.138 20 0 BEADMP COc1cccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000423284624 388066651 /nfs/dbraw/zinc/06/66/51/388066651.db2.gz XDFQFQDUVJRKOO-QMTHXVAHSA-N 2 1 234.343 2.083 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccc1N(C)C ZINC000423325532 388067417 /nfs/dbraw/zinc/06/74/17/388067417.db2.gz QCUNVAFEVYONRQ-BXUZGUMPSA-N 2 1 247.386 2.141 20 0 BEADMP COc1cccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000423284623 388067670 /nfs/dbraw/zinc/06/76/70/388067670.db2.gz XDFQFQDUVJRKOO-IINYFYTJSA-N 2 1 234.343 2.083 20 0 BEADMP C[N@@H+](CCCC[NH2+][C@@H]1CCOC1(C)C)C1CC1 ZINC000453389461 388068086 /nfs/dbraw/zinc/06/80/86/388068086.db2.gz CMJNTMAWYWITKT-CYBMUJFWSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccs1 ZINC000423284853 388068414 /nfs/dbraw/zinc/06/84/14/388068414.db2.gz XGSWIJKTUAGRAO-WPRPVWTQSA-N 2 1 210.346 2.136 20 0 BEADMP CC(C)[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1cccnc1 ZINC000423285375 388068803 /nfs/dbraw/zinc/06/88/03/388068803.db2.gz ZFBDFIKDNLZODV-ZIAGYGMSSA-N 2 1 235.375 2.352 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@@H]1C ZINC000453396861 388070147 /nfs/dbraw/zinc/07/01/47/388070147.db2.gz IWWWADXJWPERAL-YRGRVCCFSA-N 2 1 224.392 2.495 20 0 BEADMP CCC[C@H]([NH2+]CC(C)(C)[NH3+])c1cccnc1 ZINC000423286902 388070501 /nfs/dbraw/zinc/07/05/01/388070501.db2.gz JIJBEHRNEFBBJM-LBPRGKRZSA-N 2 1 221.348 2.250 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)C1CC1 ZINC000423286155 388070512 /nfs/dbraw/zinc/07/05/12/388070512.db2.gz ZSTNBKFAUCLQCX-CABCVRRESA-N 2 1 246.354 2.097 20 0 BEADMP Cc1cc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cs1 ZINC000423287494 388071831 /nfs/dbraw/zinc/07/18/31/388071831.db2.gz MQGJBWUNTQLUFJ-SECBINFHSA-N 2 1 212.362 2.444 20 0 BEADMP Cc1nc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cs1 ZINC000084216403 388075140 /nfs/dbraw/zinc/07/51/40/388075140.db2.gz VYDAEJCUXYCEQJ-PWSUYJOCSA-N 2 1 239.388 2.059 20 0 BEADMP Cc1csc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000084216340 388075289 /nfs/dbraw/zinc/07/52/89/388075289.db2.gz DNFDYVPQPVOJPZ-WDEREUQCSA-N 2 1 239.388 2.059 20 0 BEADMP CC[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000084221683 388075588 /nfs/dbraw/zinc/07/55/88/388075588.db2.gz HIMFLNDJATVPDK-GUTXKFCHSA-N 2 1 248.345 2.428 20 0 BEADMP COC(C)(C)[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453410038 388075634 /nfs/dbraw/zinc/07/56/34/388075634.db2.gz UQKNKPDNCKFMLQ-GFCCVEGCSA-N 2 1 242.407 2.264 20 0 BEADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCC12CCC2 ZINC000423294259 388075814 /nfs/dbraw/zinc/07/58/14/388075814.db2.gz BOSQZJVHTZNLCU-RYUDHWBXSA-N 2 1 210.365 2.426 20 0 BEADMP c1oc2ccccc2c1C[NH2+]C1CC[NH2+]CC1 ZINC000084511082 388078891 /nfs/dbraw/zinc/07/88/91/388078891.db2.gz IKAWNPZFGVOIDD-UHFFFAOYSA-N 2 1 230.311 2.274 20 0 BEADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CC1 ZINC000453435837 388082081 /nfs/dbraw/zinc/08/20/81/388082081.db2.gz URUQRRXOMONPKU-LLVKDONJSA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@@]1(C(C)C)C[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000453469183 388083370 /nfs/dbraw/zinc/08/33/70/388083370.db2.gz ZXDNVAGXDOAQBW-KGLIPLIRSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]1C[C@@H]1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453593807 388088741 /nfs/dbraw/zinc/08/87/41/388088741.db2.gz HSZOLIWMWXNPRL-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1ccncc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453602510 388091094 /nfs/dbraw/zinc/09/10/94/388091094.db2.gz WFWXJBXAKZVVNV-UHFFFAOYSA-N 2 1 247.386 2.354 20 0 BEADMP C[C@@H]([NH2+]Cc1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000261528049 135152668 /nfs/dbraw/zinc/15/26/68/135152668.db2.gz JCVPLOSJQCMHMO-DTWKUNHWSA-N 2 1 212.724 2.165 20 0 BEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000261528051 135152731 /nfs/dbraw/zinc/15/27/31/135152731.db2.gz JCVPLOSJQCMHMO-RKDXNWHRSA-N 2 1 212.724 2.165 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccccc1OC ZINC000423267070 388045116 /nfs/dbraw/zinc/04/51/16/388045116.db2.gz DTHOHZGOZJBPQL-RYUDHWBXSA-N 2 1 236.359 2.201 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccccc1OC ZINC000423267068 388045338 /nfs/dbraw/zinc/04/53/38/388045338.db2.gz DTHOHZGOZJBPQL-NEPJUHHUSA-N 2 1 236.359 2.201 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+]C1CC(C(C)C)C1 ZINC000423268258 388047273 /nfs/dbraw/zinc/04/72/73/388047273.db2.gz UQGNPYWLZPOCOZ-WXRRBKDZSA-N 2 1 212.381 2.384 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000423268574 388047307 /nfs/dbraw/zinc/04/73/07/388047307.db2.gz UUOJCBMSFXIZOO-UTUOFQBUSA-N 2 1 212.381 2.384 20 0 BEADMP Cc1cncc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000423268115 388048191 /nfs/dbraw/zinc/04/81/91/388048191.db2.gz FZKZQIHOSHXYAN-DGCLKSJQSA-N 2 1 221.348 2.024 20 0 BEADMP CCc1cccnc1[C@H](C)[NH2+]C[C@@H](C)C[NH2+]C ZINC000423269534 388049795 /nfs/dbraw/zinc/04/97/95/388049795.db2.gz HDPOGCFBDWFGFO-RYUDHWBXSA-N 2 1 235.375 2.150 20 0 BEADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)CC2 ZINC000423270593 388049899 /nfs/dbraw/zinc/04/98/99/388049899.db2.gz ICSILLFYEPVABM-HUUCEWRRSA-N 2 1 248.370 2.255 20 0 BEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)[C@H]1CCCO1 ZINC000423271194 388050084 /nfs/dbraw/zinc/05/00/84/388050084.db2.gz XMYQLDCIPYARTN-FPMFFAJLSA-N 2 1 240.391 2.051 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000449330514 388174314 /nfs/dbraw/zinc/17/43/14/388174314.db2.gz UKSQVYFHWWCYKW-AVGNSLFASA-N 2 1 244.448 2.448 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000449330514 388174315 /nfs/dbraw/zinc/17/43/15/388174315.db2.gz UKSQVYFHWWCYKW-AVGNSLFASA-N 2 1 244.448 2.448 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C1CCC1 ZINC000324955903 388129052 /nfs/dbraw/zinc/12/90/52/388129052.db2.gz VPQZJAXLFHSABM-STQMWFEESA-N 2 1 210.365 2.297 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000166224739 388254468 /nfs/dbraw/zinc/25/44/68/388254468.db2.gz CYYCZCKLPMETPY-WCQYABFASA-N 2 1 210.365 2.236 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CC[C@H](C)C1 ZINC000164421977 388238192 /nfs/dbraw/zinc/23/81/92/388238192.db2.gz PTECQPJVAUOSNZ-STQMWFEESA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@@H+](C[C@H]1CC[C@H](C)O1)C1CC[NH2+]CC1 ZINC000300034452 388346266 /nfs/dbraw/zinc/34/62/66/388346266.db2.gz XMZYAULPWGHSIR-GXTWGEPZSA-N 2 1 240.391 2.018 20 0 BEADMP CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(C)cc1 ZINC000233890041 388350141 /nfs/dbraw/zinc/35/01/41/388350141.db2.gz BCIUVVHQDKLOMR-WCQYABFASA-N 2 1 206.333 2.383 20 0 BEADMP Cc1cc([C@@H](C)[NH2+][C@@H](C)C[NH3+])c(C)s1 ZINC000235094787 388365362 /nfs/dbraw/zinc/36/53/62/388365362.db2.gz AMFHFSQVMANWTN-IONNQARKSA-N 2 1 212.362 2.363 20 0 BEADMP C[C@H](CN)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000235462323 388369180 /nfs/dbraw/zinc/36/91/80/388369180.db2.gz XVARVRUSLBDWPE-RKDXNWHRSA-N 2 1 212.724 2.338 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000235462323 388369182 /nfs/dbraw/zinc/36/91/82/388369182.db2.gz XVARVRUSLBDWPE-RKDXNWHRSA-N 2 1 212.724 2.338 20 0 BEADMP Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)CN)c1 ZINC000235461895 388369864 /nfs/dbraw/zinc/36/98/64/388369864.db2.gz BIDNQRTZHAOUQH-VXGBXAGGSA-N 2 1 206.333 2.301 20 0 BEADMP Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)C[NH3+])c1 ZINC000235461895 388369866 /nfs/dbraw/zinc/36/98/66/388369866.db2.gz BIDNQRTZHAOUQH-VXGBXAGGSA-N 2 1 206.333 2.301 20 0 BEADMP Cc1cc([C@H](C)[NH2+][C@H](C)CN)c(C)s1 ZINC000235459048 388369966 /nfs/dbraw/zinc/36/99/66/388369966.db2.gz AMFHFSQVMANWTN-APPZFPTMSA-N 2 1 212.362 2.363 20 0 BEADMP Cc1cc([C@H](C)[NH2+][C@H](C)C[NH3+])c(C)s1 ZINC000235459048 388369968 /nfs/dbraw/zinc/36/99/68/388369968.db2.gz AMFHFSQVMANWTN-APPZFPTMSA-N 2 1 212.362 2.363 20 0 BEADMP CC1CCC([NH2+]C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000164442182 388378381 /nfs/dbraw/zinc/37/83/81/388378381.db2.gz LHVNEOUNTZEBKB-UBHUBRDASA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)CC[C@@H]1[NH3+] ZINC000300785735 388394119 /nfs/dbraw/zinc/39/41/19/388394119.db2.gz BEBQREPYARJJFF-VWYCJHECSA-N 2 1 232.318 2.091 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000300997954 388397284 /nfs/dbraw/zinc/39/72/84/388397284.db2.gz VHKLEWWKLKSFKN-VWYCJHECSA-N 2 1 232.318 2.233 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2C)CC1 ZINC000070825947 388440337 /nfs/dbraw/zinc/44/03/37/388440337.db2.gz PDAAMUVXVTZONC-WCQYABFASA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@H](C)C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308614393 388444987 /nfs/dbraw/zinc/44/49/87/388444987.db2.gz MXBMCIHFTCAYLY-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1(C)CC1 ZINC000322716442 388445205 /nfs/dbraw/zinc/44/52/05/388445205.db2.gz PTXLPQXXCZJNDE-WODVXLOZSA-N 2 1 222.376 2.390 20 0 BEADMP Cc1ncccc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397264290 388455996 /nfs/dbraw/zinc/45/59/96/388455996.db2.gz IOWKMBYEMAIDHS-HUBLWGQQSA-N 2 1 247.386 2.195 20 0 BEADMP Cc1ncccc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397264295 388456083 /nfs/dbraw/zinc/45/60/83/388456083.db2.gz IOWKMBYEMAIDHS-XUJVJEKNSA-N 2 1 247.386 2.195 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000573021873 388408054 /nfs/dbraw/zinc/40/80/54/388408054.db2.gz NQDHGIQJXFIBNR-IMRBUKKESA-N 2 1 231.343 2.036 20 0 BEADMP C[N@H+]1CCC[C@H]2C[NH+](C3CCCC3)CC[C@H]21 ZINC000245630666 388426120 /nfs/dbraw/zinc/42/61/20/388426120.db2.gz PYGVYQQLMWTVOK-GXTWGEPZSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@@H+](C3CCCC3)CC[C@H]21 ZINC000245630666 388426121 /nfs/dbraw/zinc/42/61/21/388426121.db2.gz PYGVYQQLMWTVOK-GXTWGEPZSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@H+](C3CCCC3)CC[C@H]21 ZINC000245630666 388426123 /nfs/dbraw/zinc/42/61/23/388426123.db2.gz PYGVYQQLMWTVOK-GXTWGEPZSA-N 2 1 222.376 2.345 20 0 BEADMP COC[C@H](C)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000573249158 388433142 /nfs/dbraw/zinc/43/31/42/388433142.db2.gz WZLRIPLJHAHZKZ-CYBMUJFWSA-N 2 1 242.407 2.110 20 0 BEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1 ZINC000298245263 388437249 /nfs/dbraw/zinc/43/72/49/388437249.db2.gz CVIIVQZBUQFNTB-LBPRGKRZSA-N 2 1 229.327 2.313 20 0 BEADMP C[C@@H](c1ccccn1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311187842 388493323 /nfs/dbraw/zinc/49/33/23/388493323.db2.gz BPSGWVDTJJNSCZ-MELADBBJSA-N 2 1 245.370 2.074 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CS1 ZINC000397796018 388499596 /nfs/dbraw/zinc/49/95/96/388499596.db2.gz ANLLFKJMHIAKMH-RXGFPQBGSA-N 2 1 242.432 2.199 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1cccs1 ZINC000516759674 388515948 /nfs/dbraw/zinc/51/59/48/388515948.db2.gz WWMFIJILMSNMIP-WCQYABFASA-N 2 1 238.400 2.268 20 0 BEADMP CC(C)C[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346832533 388520351 /nfs/dbraw/zinc/52/03/51/388520351.db2.gz QXEGAEZHXGSDSM-KGLIPLIRSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346842690 388520423 /nfs/dbraw/zinc/52/04/23/388520423.db2.gz IKDRWOKRBYQDHF-MRLBHPIUSA-N 2 1 236.403 2.482 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH2+]CCc2c[nH+]cn2C)[C@@H]1C ZINC000347772796 388524482 /nfs/dbraw/zinc/52/44/82/388524482.db2.gz JWRRCZOZYWFEAG-YRGRVCCFSA-N 2 1 235.375 2.377 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+]CC(C)(C)C ZINC000163788005 135184592 /nfs/dbraw/zinc/18/45/92/135184592.db2.gz RHWHUFKJCUFNAZ-UHFFFAOYSA-N 2 1 200.370 2.352 20 0 BEADMP CO[C@H](C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000379181732 388595720 /nfs/dbraw/zinc/59/57/20/388595720.db2.gz GOZMZMXFSFDUDY-AEGPPILISA-N 2 1 248.370 2.043 20 0 BEADMP CC[C@@H](C)C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000328323955 388607104 /nfs/dbraw/zinc/60/71/04/388607104.db2.gz FNVWSFIDWPQVGF-VHDGCEQUSA-N 2 1 232.371 2.459 20 0 BEADMP CC[C@@H](C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000328323955 388607106 /nfs/dbraw/zinc/60/71/06/388607106.db2.gz FNVWSFIDWPQVGF-VHDGCEQUSA-N 2 1 232.371 2.459 20 0 BEADMP CS[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000521192234 388564185 /nfs/dbraw/zinc/56/41/85/388564185.db2.gz OCILFBUQBHIHSM-QWHCGFSZSA-N 2 1 242.432 2.298 20 0 BEADMP CS[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000521192234 388564187 /nfs/dbraw/zinc/56/41/87/388564187.db2.gz OCILFBUQBHIHSM-QWHCGFSZSA-N 2 1 242.432 2.298 20 0 BEADMP CS[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000521192234 388564190 /nfs/dbraw/zinc/56/41/90/388564190.db2.gz OCILFBUQBHIHSM-QWHCGFSZSA-N 2 1 242.432 2.298 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CC(C)C)[C@@H](C)C1 ZINC000245426803 388578921 /nfs/dbraw/zinc/57/89/21/388578921.db2.gz LMYVGJUYUHMYBT-STQMWFEESA-N 2 1 212.381 2.305 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CC(C)C)[C@@H](C)C1 ZINC000245426803 388578923 /nfs/dbraw/zinc/57/89/23/388578923.db2.gz LMYVGJUYUHMYBT-STQMWFEESA-N 2 1 212.381 2.305 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC(C)C)[C@@H](C)C1 ZINC000245426803 388578924 /nfs/dbraw/zinc/57/89/24/388578924.db2.gz LMYVGJUYUHMYBT-STQMWFEESA-N 2 1 212.381 2.305 20 0 BEADMP C[C@H](C1CC1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000125016390 388668854 /nfs/dbraw/zinc/66/88/54/388668854.db2.gz KKOOLZVGFCUJIQ-YPMHNXCESA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H](C1CC1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000125016390 388668856 /nfs/dbraw/zinc/66/88/56/388668856.db2.gz KKOOLZVGFCUJIQ-YPMHNXCESA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H](C1CC1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000125016390 388668858 /nfs/dbraw/zinc/66/88/58/388668858.db2.gz KKOOLZVGFCUJIQ-YPMHNXCESA-N 2 1 210.365 2.201 20 0 BEADMP C[N@H+]1CCC[C@]2(CC[NH+](CC3(C)CC3)C2)C1 ZINC000552110889 388669443 /nfs/dbraw/zinc/66/94/43/388669443.db2.gz GINYSKWZYUUBTR-AWEZNQCLSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CCC[C@]2(CC[N@H+](CC3(C)CC3)C2)C1 ZINC000552110889 388669445 /nfs/dbraw/zinc/66/94/45/388669445.db2.gz GINYSKWZYUUBTR-AWEZNQCLSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CC3(C)CC3)C2)C1 ZINC000552110889 388669449 /nfs/dbraw/zinc/66/94/49/388669449.db2.gz GINYSKWZYUUBTR-AWEZNQCLSA-N 2 1 222.376 2.204 20 0 BEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C(C)C)[C@@H](C)C1 ZINC000247977824 388672142 /nfs/dbraw/zinc/67/21/42/388672142.db2.gz LNZCAAJHTOVZHE-KBPBESRZSA-N 2 1 242.407 2.121 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CC2)[C@@H](C)C1 ZINC000248293020 388675574 /nfs/dbraw/zinc/67/55/74/388675574.db2.gz XGTLWMFBTMPVOI-WCQYABFASA-N 2 1 210.365 2.059 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CC2)[C@@H](C)C1 ZINC000248293020 388675576 /nfs/dbraw/zinc/67/55/76/388675576.db2.gz XGTLWMFBTMPVOI-WCQYABFASA-N 2 1 210.365 2.059 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CC2)[C@@H](C)C1 ZINC000248293020 388675578 /nfs/dbraw/zinc/67/55/78/388675578.db2.gz XGTLWMFBTMPVOI-WCQYABFASA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CC1CC(C)(C)C1 ZINC000530212950 388627730 /nfs/dbraw/zinc/62/77/30/388627730.db2.gz SEQDKQRPCVNMCG-CYBMUJFWSA-N 2 1 212.381 2.386 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000530213066 388627958 /nfs/dbraw/zinc/62/79/58/388627958.db2.gz TTYLTTHMKOAKFU-AAEUAGOBSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)C1C[NH2+]C1 ZINC000530218145 388630017 /nfs/dbraw/zinc/63/00/17/388630017.db2.gz KESRAYOURABDEU-IAQYHMDHSA-N 2 1 245.370 2.120 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000530216406 388630291 /nfs/dbraw/zinc/63/02/91/388630291.db2.gz BHQYIMAWPYHNHG-ZYHUDNBSSA-N 2 1 210.365 2.092 20 0 BEADMP CCC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](C)[NH3+] ZINC000530233651 388636545 /nfs/dbraw/zinc/63/65/45/388636545.db2.gz ZPUIPIUTJBBOED-GFCCVEGCSA-N 2 1 236.359 2.254 20 0 BEADMP CCC[N@H+](Cc1ccc(OC)cc1)C[C@@H](C)[NH3+] ZINC000530233651 388636548 /nfs/dbraw/zinc/63/65/48/388636548.db2.gz ZPUIPIUTJBBOED-GFCCVEGCSA-N 2 1 236.359 2.254 20 0 BEADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222676672 388642899 /nfs/dbraw/zinc/64/28/99/388642899.db2.gz JFJOYZJKTJTOJJ-ZDEQEGDKSA-N 2 1 212.381 2.493 20 0 BEADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222676672 388642900 /nfs/dbraw/zinc/64/29/00/388642900.db2.gz JFJOYZJKTJTOJJ-ZDEQEGDKSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000251361057 388643035 /nfs/dbraw/zinc/64/30/35/388643035.db2.gz DHVUDBOQQPPAHM-OLZOCXBDSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Cl)cc1 ZINC000223328172 388650859 /nfs/dbraw/zinc/65/08/59/388650859.db2.gz SJNTTZUYTCOSML-DTWKUNHWSA-N 2 1 212.724 2.338 20 0 BEADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)[C@H]1CCCO1 ZINC000248603830 388685426 /nfs/dbraw/zinc/68/54/26/388685426.db2.gz OPIULKKYDMHDCR-HZSPNIEDSA-N 2 1 240.391 2.018 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCSC)[C@@H](C)C1 ZINC000223736837 388658251 /nfs/dbraw/zinc/65/82/51/388658251.db2.gz JEZDTZNQDHXQGL-NWDGAFQWSA-N 2 1 230.421 2.059 20 0 BEADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)[C@@H]1CCCO1 ZINC000248603834 388685728 /nfs/dbraw/zinc/68/57/28/388685728.db2.gz OPIULKKYDMHDCR-RDBSUJKOSA-N 2 1 240.391 2.018 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)C1CCC1 ZINC000247138759 388659519 /nfs/dbraw/zinc/65/95/19/388659519.db2.gz WAGUMHHRLUIGHX-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)C1CCC1 ZINC000247138759 388659520 /nfs/dbraw/zinc/65/95/20/388659520.db2.gz WAGUMHHRLUIGHX-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251214398 388746001 /nfs/dbraw/zinc/74/60/01/388746001.db2.gz NCHMNIFHVAOTIW-XBFCOCLRSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000251763260 388752421 /nfs/dbraw/zinc/75/24/21/388752421.db2.gz DSABJECGWJNNGA-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000248969632 388702631 /nfs/dbraw/zinc/70/26/31/388702631.db2.gz DAIRTCTUKFJPSR-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000248969632 388702633 /nfs/dbraw/zinc/70/26/33/388702633.db2.gz DAIRTCTUKFJPSR-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000521398903 388704442 /nfs/dbraw/zinc/70/44/42/388704442.db2.gz GMASNXQZSDUFSG-CQSZACIVSA-N 2 1 230.355 2.247 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)[C@@H]2CCC[C@@H]21 ZINC000554095447 388800059 /nfs/dbraw/zinc/80/00/59/388800059.db2.gz FNDHLNSTAPQOMF-HTFCKZLJSA-N 2 1 244.329 2.102 20 0 BEADMP CCC(CC)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252708760 388772317 /nfs/dbraw/zinc/77/23/17/388772317.db2.gz BAQNCAXKNZVKOY-DGCLKSJQSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000252717237 388775515 /nfs/dbraw/zinc/77/55/15/388775515.db2.gz ZZRIWWYEJQGLGE-BLLLJJGKSA-N 2 1 244.382 2.084 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000252717237 388775516 /nfs/dbraw/zinc/77/55/16/388775516.db2.gz ZZRIWWYEJQGLGE-BLLLJJGKSA-N 2 1 244.382 2.084 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCC[C@H]1C ZINC000252744313 388779736 /nfs/dbraw/zinc/77/97/36/388779736.db2.gz NHGWEDVGQUDFHS-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCC[C@H]1C ZINC000252744313 388779739 /nfs/dbraw/zinc/77/97/39/388779739.db2.gz NHGWEDVGQUDFHS-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000229296745 388785510 /nfs/dbraw/zinc/78/55/10/388785510.db2.gz KOYWOJNTSUNJNL-FRRDWIJNSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000229296745 388785513 /nfs/dbraw/zinc/78/55/13/388785513.db2.gz KOYWOJNTSUNJNL-FRRDWIJNSA-N 2 1 212.381 2.495 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCC2CC2)[C@H](C)C1 ZINC000129727947 388868367 /nfs/dbraw/zinc/86/83/67/388868367.db2.gz RSXUKPMYRCLOON-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000564793256 388890311 /nfs/dbraw/zinc/89/03/11/388890311.db2.gz FWZNGOLXWJWSNF-BXUZGUMPSA-N 2 1 218.344 2.465 20 0 BEADMP C[NH2+]CCC[N@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000564989821 388906603 /nfs/dbraw/zinc/90/66/03/388906603.db2.gz IPAUNGXKZNNPLS-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC23CC3)CC[N@H+]1C ZINC000565242190 388931272 /nfs/dbraw/zinc/93/12/72/388931272.db2.gz CMTPTHPKVIRNEC-AGIUHOORSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC23CC3)CC[N@@H+]1C ZINC000565242190 388931269 /nfs/dbraw/zinc/93/12/69/388931269.db2.gz CMTPTHPKVIRNEC-AGIUHOORSA-N 2 1 222.376 2.391 20 0 BEADMP C[NH+](C)C1CC([NH2+]C/C=C/c2ccccc2)C1 ZINC000565550301 388954784 /nfs/dbraw/zinc/95/47/84/388954784.db2.gz WBNNVKSFRRTLGB-RMKNXTFCSA-N 2 1 230.355 2.382 20 0 BEADMP Cc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)s1 ZINC000271823046 389025937 /nfs/dbraw/zinc/02/59/37/389025937.db2.gz NGHSSWXAYDPGBU-UHFFFAOYSA-N 2 1 236.384 2.408 20 0 BEADMP Cc1cccc(N2CCC([C@@H]3CCC[NH2+]3)CC2)[nH+]1 ZINC000063201488 132241373 /nfs/dbraw/zinc/24/13/73/132241373.db2.gz HVOXDCSTQCZHEJ-AWEZNQCLSA-N 2 1 245.370 2.358 20 0 BEADMP C[C@@H]1CCSCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000335938085 134013030 /nfs/dbraw/zinc/01/30/30/134013030.db2.gz OAFKSKFMSOHTBF-CHWSQXEVSA-N 2 1 242.432 2.298 20 0 BEADMP C[C@@H]1CCSCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000335938085 134013031 /nfs/dbraw/zinc/01/30/31/134013031.db2.gz OAFKSKFMSOHTBF-CHWSQXEVSA-N 2 1 242.432 2.298 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCCF)C1 ZINC000352002465 134033664 /nfs/dbraw/zinc/03/36/64/134033664.db2.gz HLSPCFBRRRHUPY-LBPRGKRZSA-N 2 1 216.344 2.010 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCCF)C1 ZINC000352002465 134033665 /nfs/dbraw/zinc/03/36/65/134033665.db2.gz HLSPCFBRRRHUPY-LBPRGKRZSA-N 2 1 216.344 2.010 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCCF)C1 ZINC000352002465 134033666 /nfs/dbraw/zinc/03/36/66/134033666.db2.gz HLSPCFBRRRHUPY-LBPRGKRZSA-N 2 1 216.344 2.010 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC[C@@H](C)F)C1 ZINC000352003347 134034425 /nfs/dbraw/zinc/03/44/25/134034425.db2.gz LLXTYQZFSNGIHB-VXGBXAGGSA-N 2 1 216.344 2.008 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](CC[C@@H](C)F)C1 ZINC000352003347 134034426 /nfs/dbraw/zinc/03/44/26/134034426.db2.gz LLXTYQZFSNGIHB-VXGBXAGGSA-N 2 1 216.344 2.008 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC000352003347 134034427 /nfs/dbraw/zinc/03/44/27/134034427.db2.gz LLXTYQZFSNGIHB-VXGBXAGGSA-N 2 1 216.344 2.008 20 0 BEADMP C[C@H]1C[C@H]([NH+](C)CCCCF)CC[N@@H+]1C ZINC000352015363 134036057 /nfs/dbraw/zinc/03/60/57/134036057.db2.gz PXRCXDWTAZDZSS-NWDGAFQWSA-N 2 1 216.344 2.151 20 0 BEADMP Cn1cccc1[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000336053438 134061027 /nfs/dbraw/zinc/06/10/27/134061027.db2.gz XUKMLNIARFJXER-HNNXBMFYSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1cccc(N2CCC3(CCC[N@H+]3C)CC2)[nH+]1 ZINC000336180005 134118422 /nfs/dbraw/zinc/11/84/22/134118422.db2.gz NFUTTXHARQFULB-UHFFFAOYSA-N 2 1 245.370 2.455 20 0 BEADMP Cc1cccc(N2CCC3(CCC[N@@H+]3C)CC2)[nH+]1 ZINC000336180005 134118423 /nfs/dbraw/zinc/11/84/23/134118423.db2.gz NFUTTXHARQFULB-UHFFFAOYSA-N 2 1 245.370 2.455 20 0 BEADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@H]1C1CCC1 ZINC000178971067 134314152 /nfs/dbraw/zinc/31/41/52/134314152.db2.gz NVKDJDYBEJYSMM-AWEZNQCLSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H]1CCC[C@H](C)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178974079 134314180 /nfs/dbraw/zinc/31/41/80/134314180.db2.gz MGFOVQNMAVNECR-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H](C)C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000179309652 134320300 /nfs/dbraw/zinc/32/03/00/134320300.db2.gz FYJRRRQXCOKMFO-OLZOCXBDSA-N 2 1 212.381 2.449 20 0 BEADMP CC[C@@H](C)C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000179309652 134320301 /nfs/dbraw/zinc/32/03/01/134320301.db2.gz FYJRRRQXCOKMFO-OLZOCXBDSA-N 2 1 212.381 2.449 20 0 BEADMP CC[C@@H](C)C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000179309652 134320302 /nfs/dbraw/zinc/32/03/02/134320302.db2.gz FYJRRRQXCOKMFO-OLZOCXBDSA-N 2 1 212.381 2.449 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCSC1 ZINC000224622058 134349475 /nfs/dbraw/zinc/34/94/75/134349475.db2.gz NAULQEGMBFCWCL-RYUDHWBXSA-N 2 1 230.421 2.045 20 0 BEADMP CC[C@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000226813806 134369958 /nfs/dbraw/zinc/36/99/58/134369958.db2.gz VPTWHJVNVGHCGO-FRRDWIJNSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000226813806 134369959 /nfs/dbraw/zinc/36/99/59/134369959.db2.gz VPTWHJVNVGHCGO-FRRDWIJNSA-N 2 1 212.381 2.495 20 0 BEADMP COc1ccc(C[N@@H+](C)CCC[NH3+])cc1Cl ZINC000227744568 134392395 /nfs/dbraw/zinc/39/23/95/134392395.db2.gz VICJZWOQHILOKS-UHFFFAOYSA-N 2 1 242.750 2.129 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)C2)CC1 ZINC000070643534 135001091 /nfs/dbraw/zinc/00/10/91/135001091.db2.gz UJCZGJSPRDAUSU-YPMHNXCESA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C1CC1 ZINC000249331246 135037096 /nfs/dbraw/zinc/03/70/96/135037096.db2.gz WUSBWJKUCHKNBM-UZWSLXQKSA-N 2 1 210.365 2.103 20 0 BEADMP CC(C)OCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250577309 135053832 /nfs/dbraw/zinc/05/38/32/135053832.db2.gz FOPUAUSBUNVECE-KGLIPLIRSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC000251734825 135075517 /nfs/dbraw/zinc/07/55/17/135075517.db2.gz JBHJTWQDTNZBKZ-FVCCEPFGSA-N 2 1 210.365 2.153 20 0 BEADMP CC[C@@H](C)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000252018434 135082236 /nfs/dbraw/zinc/08/22/36/135082236.db2.gz WYOVUARAIRKMQA-FKJOKYEKSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)[C@H]1C ZINC000252126391 135084714 /nfs/dbraw/zinc/08/47/14/135084714.db2.gz KCSAISMNIWUKGG-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCS2)CC[N@H+]1C ZINC000252148267 135085940 /nfs/dbraw/zinc/08/59/40/135085940.db2.gz OGCPYAHJXZQHBB-JHJVBQTASA-N 2 1 242.432 2.344 20 0 BEADMP C[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252219231 135087961 /nfs/dbraw/zinc/08/79/61/135087961.db2.gz YOQHIUQNLZTACV-RKFYDKJMSA-N 2 1 222.376 2.390 20 0 BEADMP CCCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252541713 135092374 /nfs/dbraw/zinc/09/23/74/135092374.db2.gz FCBXEHQVCGBHFV-MELADBBJSA-N 2 1 240.391 2.018 20 0 BEADMP CCCC[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252541713 135092375 /nfs/dbraw/zinc/09/23/75/135092375.db2.gz FCBXEHQVCGBHFV-MELADBBJSA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000252695928 135096608 /nfs/dbraw/zinc/09/66/08/135096608.db2.gz AYPGVLVFQCYHSV-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000252695928 135096610 /nfs/dbraw/zinc/09/66/10/135096610.db2.gz AYPGVLVFQCYHSV-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000252695928 135096612 /nfs/dbraw/zinc/09/66/12/135096612.db2.gz AYPGVLVFQCYHSV-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP CSCC[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000252690071 135096808 /nfs/dbraw/zinc/09/68/08/135096808.db2.gz TWDQYWZOJIZKNF-NEPJUHHUSA-N 2 1 230.421 2.059 20 0 BEADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cncs2)C1 ZINC000252717050 135102243 /nfs/dbraw/zinc/10/22/43/135102243.db2.gz ZQLWLVXAVOEWLS-GHMZBOCLSA-N 2 1 239.388 2.136 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cncs2)C1 ZINC000252717050 135102245 /nfs/dbraw/zinc/10/22/45/135102245.db2.gz ZQLWLVXAVOEWLS-GHMZBOCLSA-N 2 1 239.388 2.136 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CS1 ZINC000086935159 135103390 /nfs/dbraw/zinc/10/33/90/135103390.db2.gz ZSTUVBBQMVLBRX-JQWIXIFHSA-N 2 1 240.416 2.097 20 0 BEADMP CC1CC([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000252728833 135103421 /nfs/dbraw/zinc/10/34/21/135103421.db2.gz CZKKEYFJCCWXLD-APSDNXJZSA-N 2 1 210.365 2.103 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCC[C@H]1C ZINC000252742539 135106570 /nfs/dbraw/zinc/10/65/70/135106570.db2.gz KCBPYTBPDAFZAE-UPJWGTAASA-N 2 1 212.381 2.495 20 0 BEADMP COc1ccc(C)cc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252790998 135110617 /nfs/dbraw/zinc/11/06/17/135110617.db2.gz ZKKNUYLSCFVGML-QWHCGFSZSA-N 2 1 248.370 2.173 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000252894787 135116313 /nfs/dbraw/zinc/11/63/13/135116313.db2.gz WQPXUVKWDCBGPF-BXUZGUMPSA-N 2 1 236.334 2.256 20 0 BEADMP Cc1ccncc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000253178283 135122858 /nfs/dbraw/zinc/12/28/58/135122858.db2.gz BQHGPGMUKIXLEL-UMVBOHGHSA-N 2 1 247.386 2.208 20 0 BEADMP Cc1ccncc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000253178283 135122860 /nfs/dbraw/zinc/12/28/60/135122860.db2.gz BQHGPGMUKIXLEL-UMVBOHGHSA-N 2 1 247.386 2.208 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CC[C@H](C)C1 ZINC000253190096 135123908 /nfs/dbraw/zinc/12/39/08/135123908.db2.gz KOYWOJNTSUNJNL-AVGNSLFASA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CC[C@H](C)C1 ZINC000253190096 135123909 /nfs/dbraw/zinc/12/39/09/135123909.db2.gz KOYWOJNTSUNJNL-AVGNSLFASA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000253199033 135124094 /nfs/dbraw/zinc/12/40/94/135124094.db2.gz WCKKLOUOPSZFKP-DGCLKSJQSA-N 2 1 236.334 2.242 20 0 BEADMP CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000258328353 135132176 /nfs/dbraw/zinc/13/21/76/135132176.db2.gz QBBNKVSNILNAQU-UHFFFAOYSA-N 2 1 233.359 2.419 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000259167333 135137644 /nfs/dbraw/zinc/13/76/44/135137644.db2.gz VSNKKMOBFSPMQY-OLZOCXBDSA-N 2 1 230.311 2.402 20 0 BEADMP C[C@H](c1cccnc1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257663127 135138201 /nfs/dbraw/zinc/13/82/01/135138201.db2.gz CEHQDCDNAUAGAI-HIFRSBDPSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@H](c1cccnc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257663127 135138202 /nfs/dbraw/zinc/13/82/02/135138202.db2.gz CEHQDCDNAUAGAI-HIFRSBDPSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@H](c1ccccn1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257666723 135138673 /nfs/dbraw/zinc/13/86/73/135138673.db2.gz CVUABJCABQBNCF-UKRRQHHQSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257666723 135138675 /nfs/dbraw/zinc/13/86/75/135138675.db2.gz CVUABJCABQBNCF-UKRRQHHQSA-N 2 1 245.370 2.218 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000257737985 135140746 /nfs/dbraw/zinc/14/07/46/135140746.db2.gz YJESFOKPQNOMDY-INIZCTEOSA-N 2 1 244.382 2.489 20 0 BEADMP CC(C)[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000257789557 135141526 /nfs/dbraw/zinc/14/15/26/135141526.db2.gz XGYZEFMDIWROOC-KGLIPLIRSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH2+]CCC[N@H+](C)Cc1ccc(F)c(C)c1 ZINC000087472267 135142960 /nfs/dbraw/zinc/14/29/60/135142960.db2.gz XIUDVIKOLIKXIA-UHFFFAOYSA-N 2 1 224.323 2.175 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(F)c(C)c1 ZINC000087472267 135142961 /nfs/dbraw/zinc/14/29/61/135142961.db2.gz XIUDVIKOLIKXIA-UHFFFAOYSA-N 2 1 224.323 2.175 20 0 BEADMP C[NH2+]CCC[N@H+](C)Cc1ccc(C)s1 ZINC000087472299 135142970 /nfs/dbraw/zinc/14/29/70/135142970.db2.gz KZBVCHWVRWNHSN-UHFFFAOYSA-N 2 1 212.362 2.098 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(C)s1 ZINC000087472299 135142971 /nfs/dbraw/zinc/14/29/71/135142971.db2.gz KZBVCHWVRWNHSN-UHFFFAOYSA-N 2 1 212.362 2.098 20 0 BEADMP CCc1ccc(C[N@@H+](C)CCC[NH2+]C)cc1 ZINC000087472252 135143284 /nfs/dbraw/zinc/14/32/84/135143284.db2.gz JWKVRXNNLVKNPN-UHFFFAOYSA-N 2 1 220.360 2.290 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000261527263 135151240 /nfs/dbraw/zinc/15/12/40/135151240.db2.gz ILINFHFXQJYIOQ-FRRDWIJNSA-N 2 1 212.381 2.256 20 0 BEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)C1CCC1 ZINC000087584590 135157327 /nfs/dbraw/zinc/15/73/27/135157327.db2.gz SHHIHAMICHUUOY-UHFFFAOYSA-N 2 1 208.349 2.003 20 0 BEADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000261531615 135160724 /nfs/dbraw/zinc/16/07/24/135160724.db2.gz HHEGMMGPDAQDCH-UTLUCORTSA-N 2 1 210.296 2.212 20 0 BEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCC1CCCC1 ZINC000261531589 135161241 /nfs/dbraw/zinc/16/12/41/135161241.db2.gz HEGSHJVHWVDGEM-WCQYABFASA-N 2 1 210.365 2.236 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000261534253 135166753 /nfs/dbraw/zinc/16/67/53/135166753.db2.gz PASPCRFCOCPAPP-GXTWGEPZSA-N 2 1 218.344 2.082 20 0 BEADMP CC[N@@H+](CC1CCC1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261534466 135166945 /nfs/dbraw/zinc/16/69/45/135166945.db2.gz QSRIDKGPERMGCK-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CCC[C@@H]3C2)CC[NH2+]1 ZINC000261535000 135168652 /nfs/dbraw/zinc/16/86/52/135168652.db2.gz VLRLSDLJSDDBBN-SYQHCUMBSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+](C)C[C@H]2CCC[NH2+]C2)C1 ZINC000261536746 135172049 /nfs/dbraw/zinc/17/20/49/135172049.db2.gz STWCNQFYYRDJCH-AGIUHOORSA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@@H+](CC(C)C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261536882 135172824 /nfs/dbraw/zinc/17/28/24/135172824.db2.gz UBVWLVHWMKHXQM-OLZOCXBDSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000261536966 135172922 /nfs/dbraw/zinc/17/29/22/135172922.db2.gz UJVVCECLNZAVRX-SCZZXKLOSA-N 2 1 244.791 2.489 20 0 BEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000261536965 135173338 /nfs/dbraw/zinc/17/33/38/135173338.db2.gz UJVVCECLNZAVRX-PSASIEDQSA-N 2 1 244.791 2.489 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000261537020 135173529 /nfs/dbraw/zinc/17/35/29/135173529.db2.gz UPBDOCGOENLOID-GUBZILKMSA-N 2 1 210.296 2.212 20 0 BEADMP CC[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000261538469 135176142 /nfs/dbraw/zinc/17/61/42/135176142.db2.gz YFKGEZUVMPFYGK-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]1C[C@@H](C)C[N@H+]1CC1CC[NH2+]CC1 ZINC000261539019 135177362 /nfs/dbraw/zinc/17/73/62/135177362.db2.gz BJONZPNEMNGSHX-DGCLKSJQSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[N@H+]([C@H]2CCCc3ccccc32)C[C@H]1[NH3+] ZINC000261540052 135178614 /nfs/dbraw/zinc/17/86/14/135178614.db2.gz DEILVRRDRKFJOK-DFBGVHRSSA-N 2 1 230.355 2.343 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261541251 135180647 /nfs/dbraw/zinc/18/06/47/135180647.db2.gz BAJWBVHNHGCULZ-HNNXBMFYSA-N 2 1 232.371 2.420 20 0 BEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000261549575 135188408 /nfs/dbraw/zinc/18/84/08/135188408.db2.gz KQTVCDDMIFGAES-BDAKNGLRSA-N 2 1 244.285 2.113 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1C ZINC000261553062 135192423 /nfs/dbraw/zinc/19/24/23/135192423.db2.gz ABOOVRFOPLPRTJ-JKSUJKDBSA-N 2 1 244.382 2.487 20 0 BEADMP CC1(C)CCC(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000261553836 135193611 /nfs/dbraw/zinc/19/36/11/135193611.db2.gz OGTZZHDLIRRYIY-OKILXGFUSA-N 2 1 236.403 2.354 20 0 BEADMP Cc1ncccc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000261555232 135195520 /nfs/dbraw/zinc/19/55/20/135195520.db2.gz PNPYHRSLIVLPQN-CQSZACIVSA-N 2 1 233.359 2.093 20 0 BEADMP COc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1F ZINC000261556832 135197032 /nfs/dbraw/zinc/19/70/32/135197032.db2.gz REEPOJVVEKZDNJ-SECBINFHSA-N 2 1 240.322 2.222 20 0 BEADMP CCSCC[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000261557239 135197607 /nfs/dbraw/zinc/19/76/07/135197607.db2.gz XCLUCAZTNNVEEI-GFCCVEGCSA-N 2 1 230.421 2.204 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261557174 135197824 /nfs/dbraw/zinc/19/78/24/135197824.db2.gz RLZVQNJHRDCDOK-CABCVRRESA-N 2 1 230.355 2.179 20 0 BEADMP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCCC1 ZINC000261560707 135202308 /nfs/dbraw/zinc/20/23/08/135202308.db2.gz AEJADTCRJHQOOG-UONOGXRCSA-N 2 1 222.376 2.108 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261561596 135202693 /nfs/dbraw/zinc/20/26/93/135202693.db2.gz FZSFWDYBRZCXMJ-HOTGVXAUSA-N 2 1 244.382 2.290 20 0 BEADMP C[C@@H](c1cccc(O)c1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261563026 135205451 /nfs/dbraw/zinc/20/54/51/135205451.db2.gz GSNRSUJSCLGWQC-STQMWFEESA-N 2 1 248.370 2.385 20 0 BEADMP C[C@@]1(C[NH3+])CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000261563749 135205585 /nfs/dbraw/zinc/20/55/85/135205585.db2.gz XITDHPRILIATHH-PXTSUWAFSA-N 2 1 230.355 2.371 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC000261565090 135206892 /nfs/dbraw/zinc/20/68/92/135206892.db2.gz HNOUVSUKFPDUMS-ZIAGYGMSSA-N 2 1 244.382 2.433 20 0 BEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cc(F)cc(F)c1 ZINC000261565062 135206925 /nfs/dbraw/zinc/20/69/25/135206925.db2.gz YDAWASKQNUEETF-CYBMUJFWSA-N 2 1 242.313 2.428 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c1C ZINC000261565874 135207407 /nfs/dbraw/zinc/20/74/07/135207407.db2.gz YPUFJQBWKGSRHY-OAHLLOKOSA-N 2 1 232.371 2.474 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000261565664 135207995 /nfs/dbraw/zinc/20/79/95/135207995.db2.gz HXAQDRVUJNSRLH-HRCADAONSA-N 2 1 244.382 2.473 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000261569479 135211151 /nfs/dbraw/zinc/21/11/51/135211151.db2.gz JWNAPEQBXWNWAX-HOCLYGCPSA-N 2 1 244.382 2.345 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000261569478 135211425 /nfs/dbraw/zinc/21/14/25/135211425.db2.gz JWNAPEQBXWNWAX-GOEBONIOSA-N 2 1 244.382 2.345 20 0 BEADMP CCSCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000164030826 135212172 /nfs/dbraw/zinc/21/21/72/135212172.db2.gz UUSDBDCPOYMSRM-NEPJUHHUSA-N 2 1 230.421 2.202 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000261574192 135216199 /nfs/dbraw/zinc/21/61/99/135216199.db2.gz MNKTVQRGEZGBFJ-ZIAGYGMSSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000261574192 135216200 /nfs/dbraw/zinc/21/62/00/135216200.db2.gz MNKTVQRGEZGBFJ-ZIAGYGMSSA-N 2 1 248.345 2.175 20 0 BEADMP C[N@@H+](CC1(C)CCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261575066 135216565 /nfs/dbraw/zinc/21/65/65/135216565.db2.gz JOQQJIJFWFSHLR-FUNVUKJBSA-N 2 1 222.376 2.391 20 0 BEADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261576474 135217726 /nfs/dbraw/zinc/21/77/26/135217726.db2.gz NQXHUKXOXULNQA-TZMCWYRMSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261576474 135217727 /nfs/dbraw/zinc/21/77/27/135217727.db2.gz NQXHUKXOXULNQA-TZMCWYRMSA-N 2 1 248.345 2.175 20 0 BEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1Cl ZINC000261576008 135217987 /nfs/dbraw/zinc/21/79/87/135217987.db2.gz KAJUCIWUKIJIQA-ZWNOBZJWSA-N 2 1 238.762 2.428 20 0 BEADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000261577889 135218930 /nfs/dbraw/zinc/21/89/30/135218930.db2.gz LMSYSTILCKXGRW-WCQYABFASA-N 2 1 204.317 2.171 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000261577889 135218931 /nfs/dbraw/zinc/21/89/31/135218931.db2.gz LMSYSTILCKXGRW-WCQYABFASA-N 2 1 204.317 2.171 20 0 BEADMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000261577888 135219160 /nfs/dbraw/zinc/21/91/60/135219160.db2.gz LMSYSTILCKXGRW-DGCLKSJQSA-N 2 1 204.317 2.171 20 0 BEADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000261577888 135219161 /nfs/dbraw/zinc/21/91/61/135219161.db2.gz LMSYSTILCKXGRW-DGCLKSJQSA-N 2 1 204.317 2.171 20 0 BEADMP CC1(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCC1 ZINC000261580786 135221819 /nfs/dbraw/zinc/22/18/19/135221819.db2.gz NDJFEOZGWJGZGI-AVGNSLFASA-N 2 1 222.376 2.236 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261583185 135224012 /nfs/dbraw/zinc/22/40/12/135224012.db2.gz RQZSOLQXXCRMCT-HRCADAONSA-N 2 1 244.382 2.473 20 0 BEADMP C[C@H](C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000261585223 135225728 /nfs/dbraw/zinc/22/57/28/135225728.db2.gz SWEFSVPLJLCQKM-OEAJRASXSA-N 2 1 244.382 2.459 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)o1 ZINC000261584797 135226161 /nfs/dbraw/zinc/22/61/61/135226161.db2.gz PZTOZXSZJNFVSW-ZMLRMANQSA-N 2 1 222.332 2.237 20 0 BEADMP COc1ccccc1[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000261586207 135226816 /nfs/dbraw/zinc/22/68/16/135226816.db2.gz UGNHSWPYSNQAKT-OBJOEFQTSA-N 2 1 248.370 2.344 20 0 BEADMP COc1cccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])c1 ZINC000261585509 135227127 /nfs/dbraw/zinc/22/71/27/135227127.db2.gz QMVJCYFCQVMRML-DCAQKATOSA-N 2 1 222.332 2.082 20 0 BEADMP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261589530 135229896 /nfs/dbraw/zinc/22/98/96/135229896.db2.gz WHZGBLCSYVTJOO-MRVWCRGKSA-N 2 1 248.345 2.428 20 0 BEADMP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261589530 135229897 /nfs/dbraw/zinc/22/98/97/135229897.db2.gz WHZGBLCSYVTJOO-MRVWCRGKSA-N 2 1 248.345 2.428 20 0 BEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@H]12 ZINC000261589264 135230451 /nfs/dbraw/zinc/23/04/51/135230451.db2.gz WEYFXHHMOUYZGT-UENUHNEHSA-N 2 1 242.366 2.369 20 0 BEADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261590124 135230732 /nfs/dbraw/zinc/23/07/32/135230732.db2.gz WVHROFQIYLTENB-XBFCOCLRSA-N 2 1 248.345 2.428 20 0 BEADMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261590124 135230734 /nfs/dbraw/zinc/23/07/34/135230734.db2.gz WVHROFQIYLTENB-XBFCOCLRSA-N 2 1 248.345 2.428 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2ccc(Cl)cc2)CCC1 ZINC000261591701 135231839 /nfs/dbraw/zinc/23/18/39/135231839.db2.gz VMLTYZNBDZIXGA-UHFFFAOYSA-N 2 1 224.735 2.311 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1F ZINC000261591645 135231955 /nfs/dbraw/zinc/23/19/55/135231955.db2.gz XXJNGCMYTNPIEJ-KGLIPLIRSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1F ZINC000261591645 135231956 /nfs/dbraw/zinc/23/19/56/135231956.db2.gz XXJNGCMYTNPIEJ-KGLIPLIRSA-N 2 1 248.345 2.175 20 0 BEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cccc(F)c1 ZINC000261591758 135232962 /nfs/dbraw/zinc/23/29/62/135232962.db2.gz VOPQYYUGRSPNMK-CYBMUJFWSA-N 2 1 224.323 2.289 20 0 BEADMP C[C@H](C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C)c1ccccc1 ZINC000261592620 135233093 /nfs/dbraw/zinc/23/30/93/135233093.db2.gz VYNGUEIGFQZPAH-YRGRVCCFSA-N 2 1 218.344 2.212 20 0 BEADMP C[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@H]1C)c1ccccc1 ZINC000261592620 135233095 /nfs/dbraw/zinc/23/30/95/135233095.db2.gz VYNGUEIGFQZPAH-YRGRVCCFSA-N 2 1 218.344 2.212 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261593520 135234025 /nfs/dbraw/zinc/23/40/25/135234025.db2.gz ZFNACOHVQZINRO-ZBFHGGJFSA-N 2 1 244.382 2.487 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261593519 135234366 /nfs/dbraw/zinc/23/43/66/135234366.db2.gz ZFNACOHVQZINRO-HOCLYGCPSA-N 2 1 244.382 2.487 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000261597502 135236786 /nfs/dbraw/zinc/23/67/86/135236786.db2.gz ZDOLFHVFOUEKDZ-NEPJUHHUSA-N 2 1 236.384 2.098 20 0 BEADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261546361 135238237 /nfs/dbraw/zinc/23/82/37/135238237.db2.gz KWYUBRNJUFHSOI-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261546364 135238728 /nfs/dbraw/zinc/23/87/28/135238728.db2.gz KWYUBRNJUFHSOI-YNEHKIRRSA-N 2 1 210.365 2.106 20 0 BEADMP CCC[N@@H+](C[C@H]1C[C@H]1C)C1CC[NH2+]CC1 ZINC000261547318 135240152 /nfs/dbraw/zinc/24/01/52/135240152.db2.gz MCHPFPOSWMXQQB-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccccc1F ZINC000261547504 135240298 /nfs/dbraw/zinc/24/02/98/135240298.db2.gz IFVIVCOJUZZXFV-UHIISALHSA-N 2 1 236.334 2.474 20 0 BEADMP CCC[N@@H+](C[C@@H]1C[C@H]1C)C1CC[NH2+]CC1 ZINC000261547315 135240502 /nfs/dbraw/zinc/24/05/02/135240502.db2.gz MCHPFPOSWMXQQB-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261715714 135247288 /nfs/dbraw/zinc/24/72/88/135247288.db2.gz KRVUHEKCIQFCRK-KGLIPLIRSA-N 2 1 218.344 2.069 20 0 BEADMP CC(C)[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCS1 ZINC000261729282 135248244 /nfs/dbraw/zinc/24/82/44/135248244.db2.gz GZBJBWCMIQPTKL-QWHCGFSZSA-N 2 1 242.432 2.059 20 0 BEADMP C[C@@H]1CC2(CCC2)C[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261740106 135249202 /nfs/dbraw/zinc/24/92/02/135249202.db2.gz IHBACOPDXKTAJN-CHWSQXEVSA-N 2 1 222.376 2.251 20 0 BEADMP C(C1CC1)[N@@H+](CC1CCC1)C[C@H]1CCC[NH2+]C1 ZINC000261783767 135252548 /nfs/dbraw/zinc/25/25/48/135252548.db2.gz OALNXKYHHSTHOE-HNNXBMFYSA-N 2 1 236.403 2.498 20 0 BEADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)ccc1C ZINC000261787633 135252985 /nfs/dbraw/zinc/25/29/85/135252985.db2.gz FYYJGFKQUCXKPM-OCCSQVGLSA-N 2 1 248.370 2.173 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CC[C@H](F)C1 ZINC000342293534 135256568 /nfs/dbraw/zinc/25/65/68/135256568.db2.gz GWJBURKIVBFIGD-NWDGAFQWSA-N 2 1 237.322 2.128 20 0 BEADMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)C1Cc2ccccc2C1 ZINC000261875133 135259251 /nfs/dbraw/zinc/25/92/51/135259251.db2.gz POTNCMHBXLSTQV-MRXNPFEDSA-N 2 1 244.382 2.085 20 0 BEADMP COc1ccc([C@H](C)C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000261918698 135262311 /nfs/dbraw/zinc/26/23/11/135262311.db2.gz BJRCVZGZKAFYNS-JMSVASOKSA-N 2 1 248.370 2.078 20 0 BEADMP COc1ccc([C@H](C)C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000261918698 135262313 /nfs/dbraw/zinc/26/23/13/135262313.db2.gz BJRCVZGZKAFYNS-JMSVASOKSA-N 2 1 248.370 2.078 20 0 BEADMP Cc1ccc(C[N@H+](C)C[C@@]2(C)CC[NH2+]C2)s1 ZINC000261953955 135265681 /nfs/dbraw/zinc/26/56/81/135265681.db2.gz GJOWFQNWBMPHSI-ZDUSSCGKSA-N 2 1 238.400 2.488 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000342410970 135266242 /nfs/dbraw/zinc/26/62/42/135266242.db2.gz FWRYPYRLNLMWOL-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000342410970 135266244 /nfs/dbraw/zinc/26/62/44/135266244.db2.gz FWRYPYRLNLMWOL-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000342416956 135267006 /nfs/dbraw/zinc/26/70/06/135267006.db2.gz JOMYUBOFJAWCMA-BFHYXJOUSA-N 2 1 242.407 2.264 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000342416956 135267008 /nfs/dbraw/zinc/26/70/08/135267008.db2.gz JOMYUBOFJAWCMA-BFHYXJOUSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262017355 135272952 /nfs/dbraw/zinc/27/29/52/135272952.db2.gz VUNZJOKHBPPRGI-BVUBDWEXSA-N 2 1 244.382 2.317 20 0 BEADMP FC(F)C[N@@H+](CC1CCC1)CC1CC[NH2+]CC1 ZINC000262013768 135273119 /nfs/dbraw/zinc/27/31/19/135273119.db2.gz VIXLBXQBDTYBFI-UHFFFAOYSA-N 2 1 246.345 2.353 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262017359 135273266 /nfs/dbraw/zinc/27/32/66/135273266.db2.gz VUNZJOKHBPPRGI-MIGQKNRLSA-N 2 1 244.382 2.317 20 0 BEADMP C[C@@H]1Cc2ccccc2C[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262118910 135279926 /nfs/dbraw/zinc/27/99/26/135279926.db2.gz XDZSNOYQAKZAKZ-CJNGLKHVSA-N 2 1 244.382 2.433 20 0 BEADMP Cc1cc([C@@H]2CCC[N@@H+]2C[C@]2(C)CC[NH2+]C2)on1 ZINC000262132020 135280403 /nfs/dbraw/zinc/28/04/03/135280403.db2.gz YHMVXSOPXSZHOR-GXTWGEPZSA-N 2 1 249.358 2.120 20 0 BEADMP Cc1cc([C@@H]2CCC[N@H+]2C[C@]2(C)CC[NH2+]C2)on1 ZINC000262132020 135280405 /nfs/dbraw/zinc/28/04/05/135280405.db2.gz YHMVXSOPXSZHOR-GXTWGEPZSA-N 2 1 249.358 2.120 20 0 BEADMP CCc1nc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cs1 ZINC000262151954 135282418 /nfs/dbraw/zinc/28/24/18/135282418.db2.gz GCENKXNHUDBYSK-UWVGGRQHSA-N 2 1 239.388 2.065 20 0 BEADMP C[C@@]1(CCc2ccccc2)CC[N@H+](CC[NH3+])C1 ZINC000263077890 135331100 /nfs/dbraw/zinc/33/11/00/135331100.db2.gz XFEUHFRFDUZTQY-OAHLLOKOSA-N 2 1 232.371 2.290 20 0 BEADMP C[C@@]1(CCc2ccccc2)CC[N@@H+](CC[NH3+])C1 ZINC000263077890 135331102 /nfs/dbraw/zinc/33/11/02/135331102.db2.gz XFEUHFRFDUZTQY-OAHLLOKOSA-N 2 1 232.371 2.290 20 0 BEADMP CC(C)CCC[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000299893488 135380758 /nfs/dbraw/zinc/38/07/58/135380758.db2.gz LSVOEQRJLCTMPD-OLZOCXBDSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)CCC[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000299893488 135380760 /nfs/dbraw/zinc/38/07/60/135380760.db2.gz LSVOEQRJLCTMPD-OLZOCXBDSA-N 2 1 210.365 2.106 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000078793936 135396030 /nfs/dbraw/zinc/39/60/30/135396030.db2.gz KJKXIHGVGYADEX-AWEZNQCLSA-N 2 1 244.382 2.346 20 0 BEADMP Cc1nc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cs1 ZINC000084216405 135467495 /nfs/dbraw/zinc/46/74/95/135467495.db2.gz VYDAEJCUXYCEQJ-CMPLNLGQSA-N 2 1 239.388 2.059 20 0 BEADMP c1ccc([C@@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000089749381 135541213 /nfs/dbraw/zinc/54/12/13/135541213.db2.gz WEHQXUMYSGVZNU-GOEBONIOSA-N 2 1 244.382 2.476 20 0 BEADMP C[C@H]([NH3+])C[NH+]1CCC(c2ccccc2)CC1 ZINC000334608420 135784571 /nfs/dbraw/zinc/78/45/71/135784571.db2.gz SUHOYVMJLVGMDV-LBPRGKRZSA-N 2 1 218.344 2.213 20 0 BEADMP CC1CCC([NH2+]C[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000334848851 135822560 /nfs/dbraw/zinc/82/25/60/135822560.db2.gz MEZKBKVAUAHEHM-MOENNCHZSA-N 2 1 246.345 2.400 20 0 BEADMP C[C@H]1CCCC[C@H]1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000335336882 136044666 /nfs/dbraw/zinc/04/46/66/136044666.db2.gz VNOOMWHPTMTKEF-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335321078 136049780 /nfs/dbraw/zinc/04/97/80/136049780.db2.gz KMOFQYPFKBCJBA-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP CC(C)CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335321078 136049781 /nfs/dbraw/zinc/04/97/81/136049781.db2.gz KMOFQYPFKBCJBA-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP CC(C)CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335321078 136049782 /nfs/dbraw/zinc/04/97/82/136049782.db2.gz KMOFQYPFKBCJBA-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000335551913 136098538 /nfs/dbraw/zinc/09/85/38/136098538.db2.gz KSYGBPYNUWZWDR-CQSZACIVSA-N 2 1 246.354 2.018 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCCSC1)c1c[nH+]ccc1N ZINC000335565723 136107659 /nfs/dbraw/zinc/10/76/59/136107659.db2.gz RGPNURRJGRLCNO-NXEZZACHSA-N 2 1 237.372 2.040 20 0 BEADMP CC[C@H](C)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335571544 136109940 /nfs/dbraw/zinc/10/99/40/136109940.db2.gz FLVRDMSGMPPFBC-QWHCGFSZSA-N 2 1 210.365 2.060 20 0 BEADMP CC[C@H](C)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335571544 136109941 /nfs/dbraw/zinc/10/99/41/136109941.db2.gz FLVRDMSGMPPFBC-QWHCGFSZSA-N 2 1 210.365 2.060 20 0 BEADMP CC(C)([NH3+])C[NH2+][C@H]1CCCOc2ccccc21 ZINC000335599858 136114342 /nfs/dbraw/zinc/11/43/42/136114342.db2.gz SLYJDJULQIKEKO-LBPRGKRZSA-N 2 1 234.343 2.227 20 0 BEADMP CC[C@H]1CC[C@@H](C)[N@H+]1CCn1ccnc1C ZINC000357525650 397937549 /nfs/dbraw/zinc/93/75/49/397937549.db2.gz FAEXDRCPKLIXAV-YPMHNXCESA-N 2 1 221.348 2.454 20 0 BEADMP C[C@H](Cc1ccoc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000449079190 397951476 /nfs/dbraw/zinc/95/14/76/397951476.db2.gz XPQGHSZADYYIGK-TZMCWYRMSA-N 2 1 248.370 2.285 20 0 BEADMP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000449079188 397951553 /nfs/dbraw/zinc/95/15/53/397951553.db2.gz XPQGHSZADYYIGK-JSGCOSHPSA-N 2 1 248.370 2.285 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1C ZINC000385668402 397952752 /nfs/dbraw/zinc/95/27/52/397952752.db2.gz PHYKOMFUNCNUIC-JRBXHMHVSA-N 2 1 222.376 2.246 20 0 BEADMP CC(C)C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000334458393 397924879 /nfs/dbraw/zinc/92/48/79/397924879.db2.gz QZCCCSLVJGHSCM-CQSZACIVSA-N 2 1 224.392 2.306 20 0 BEADMP CSCC[C@@H](C)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000156882142 397926924 /nfs/dbraw/zinc/92/69/24/397926924.db2.gz SHEVVPZFANWOON-VXGBXAGGSA-N 2 1 230.421 2.059 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+]CC1(COC)CCC1 ZINC000383452280 398020218 /nfs/dbraw/zinc/02/02/18/398020218.db2.gz HMPNBPNKEXSISO-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]CC1(COC)CCC1 ZINC000383452280 398020219 /nfs/dbraw/zinc/02/02/19/398020219.db2.gz HMPNBPNKEXSISO-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cncc(F)c1 ZINC000222912572 398125819 /nfs/dbraw/zinc/12/58/19/398125819.db2.gz LYUDDZXPUJVDET-WDEREUQCSA-N 2 1 239.338 2.212 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCS2)CC1(C)C ZINC000623445464 398130943 /nfs/dbraw/zinc/13/09/43/398130943.db2.gz RVFLHRSGGUGWMJ-RYUDHWBXSA-N 2 1 242.432 2.344 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000685626128 487567251 /nfs/dbraw/zinc/56/72/51/487567251.db2.gz JOMYUBOFJAWCMA-HZSPNIEDSA-N 2 1 242.407 2.264 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000685626128 487567257 /nfs/dbraw/zinc/56/72/57/487567257.db2.gz JOMYUBOFJAWCMA-HZSPNIEDSA-N 2 1 242.407 2.264 20 0 BEADMP CO[C@H]1CCC[C@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000685658032 487572358 /nfs/dbraw/zinc/57/23/58/487572358.db2.gz XQQSWZJFODXXLU-IHRRRGAJSA-N 2 1 242.407 2.262 20 0 BEADMP CO[C@H]1CCC[C@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000685658032 487572361 /nfs/dbraw/zinc/57/23/61/487572361.db2.gz XQQSWZJFODXXLU-IHRRRGAJSA-N 2 1 242.407 2.262 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000393399171 487573596 /nfs/dbraw/zinc/57/35/96/487573596.db2.gz OSHFETMEHCKCDC-CRWXNKLISA-N 2 1 224.392 2.495 20 0 BEADMP c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C2 ZINC000232476890 487597853 /nfs/dbraw/zinc/59/78/53/487597853.db2.gz HUIRYQQIFKVZKF-HOTGVXAUSA-N 2 1 244.382 2.276 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](C3CC3)C2)CC1 ZINC001651862628 1172996648 /nfs/dbraw/zinc/99/66/48/1172996648.db2.gz LCKHSBVJOQYORZ-OAHLLOKOSA-N 2 1 236.403 2.450 20 0 BEADMP CC[C@@H](C[NH2+][C@H](C)C[NH2+]C)c1ccccc1 ZINC000162108963 487608066 /nfs/dbraw/zinc/60/80/66/487608066.db2.gz OVJDIKIKMNPSDQ-OLZOCXBDSA-N 2 1 220.360 2.378 20 0 BEADMP C1=CCC(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000662263509 409554872 /nfs/dbraw/zinc/55/48/72/409554872.db2.gz BVMGPPNAGGBQGM-LSDHHAIUSA-N 2 1 234.387 2.417 20 0 BEADMP CC[C@@H](CC(F)F)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662264458 409560624 /nfs/dbraw/zinc/56/06/24/409560624.db2.gz DHAXZANEWPIOHJ-WCQYABFASA-N 2 1 246.345 2.353 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000662267749 409569949 /nfs/dbraw/zinc/56/99/49/409569949.db2.gz YIDDHVDQEMDAMA-MXWKQRLJSA-N 2 1 234.334 2.337 20 0 BEADMP CN[C@H]1CC[N@@H+](C[C@H]2CCCCC2(C)C)C1 ZINC000662241493 409529834 /nfs/dbraw/zinc/52/98/34/409529834.db2.gz SVVNVBBRAKCRQS-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000662242724 409532045 /nfs/dbraw/zinc/53/20/45/409532045.db2.gz HKFVBMQLXZUCOW-MNOVXSKESA-N 2 1 234.334 2.481 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000662242724 409532051 /nfs/dbraw/zinc/53/20/51/409532051.db2.gz HKFVBMQLXZUCOW-MNOVXSKESA-N 2 1 234.334 2.481 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000662244504 409535754 /nfs/dbraw/zinc/53/57/54/409535754.db2.gz HUDMYJSGVJZGNW-AAEUAGOBSA-N 2 1 208.349 2.012 20 0 BEADMP CO[C@@H](C[NH2+][C@](C)(C[NH3+])C1CC1)c1ccccc1 ZINC000662248108 409545119 /nfs/dbraw/zinc/54/51/19/409545119.db2.gz TYELLBJKFCSHGR-LSDHHAIUSA-N 2 1 248.370 2.091 20 0 BEADMP CC1(C)CCCC[C@H]1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000662247742 409549230 /nfs/dbraw/zinc/54/92/30/409549230.db2.gz ZOBYZJRQMOZNMJ-STQMWFEESA-N 2 1 224.392 2.483 20 0 BEADMP CC[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1[NH3+] ZINC000662270503 409572378 /nfs/dbraw/zinc/57/23/78/409572378.db2.gz LPMNQFBEHDFVSE-RGDJUOJXSA-N 2 1 222.376 2.092 20 0 BEADMP CC[C@H]1C[N@@H+](CCC=C(C)C)CC[C@@H]1[NH3+] ZINC000662269679 409573564 /nfs/dbraw/zinc/57/35/64/409573564.db2.gz CVFFTEVARRAWNN-STQMWFEESA-N 2 1 210.365 2.402 20 0 BEADMP C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C1CCC1 ZINC000662275057 409584711 /nfs/dbraw/zinc/58/47/11/409584711.db2.gz QOTMYEVXRKBPDE-HUUCEWRRSA-N 2 1 236.403 2.498 20 0 BEADMP CC(C)=CCC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000662276404 409588863 /nfs/dbraw/zinc/58/88/63/409588863.db2.gz MDILOWNOJWREKG-STQMWFEESA-N 2 1 208.349 2.027 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000662276404 409588865 /nfs/dbraw/zinc/58/88/65/409588865.db2.gz MDILOWNOJWREKG-STQMWFEESA-N 2 1 208.349 2.027 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC1CCC1 ZINC000662277277 409594316 /nfs/dbraw/zinc/59/43/16/409594316.db2.gz PBXQIHOCZBZPLH-WZRBSPASSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CC2CCCCCC2)CCO1 ZINC000132597726 409670023 /nfs/dbraw/zinc/67/00/23/409670023.db2.gz BMRUAPHXVLFIOS-JSGCOSHPSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC2CCCCCC2)CCO1 ZINC000132597726 409670029 /nfs/dbraw/zinc/67/00/29/409670029.db2.gz BMRUAPHXVLFIOS-JSGCOSHPSA-N 2 1 240.391 2.005 20 0 BEADMP CC(C)SCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000308837583 167332466 /nfs/dbraw/zinc/33/24/66/167332466.db2.gz XDZATKQUDSQGQH-VXGBXAGGSA-N 2 1 230.421 2.058 20 0 BEADMP C[N@@H+](Cc1ccsc1)[C@@H]1CCC[NH2+]CC1 ZINC000082666687 409849244 /nfs/dbraw/zinc/84/92/44/409849244.db2.gz XBTOOQXNGAWESU-GFCCVEGCSA-N 2 1 224.373 2.322 20 0 BEADMP CC(C)[C@@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000084126957 409872874 /nfs/dbraw/zinc/87/28/74/409872874.db2.gz DGFYXAXNYDSJPT-QWHCGFSZSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1CCC[C@@H](CC[N@@H+](C)CCC[NH3+])C1 ZINC000390477607 410024670 /nfs/dbraw/zinc/02/46/70/410024670.db2.gz LJEXWSGWVJYGOE-STQMWFEESA-N 2 1 212.381 2.483 20 0 BEADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)CCC[NH3+] ZINC000133223337 410248522 /nfs/dbraw/zinc/24/85/22/410248522.db2.gz ZWQMLSUWVDFYJN-JTQLQIEISA-N 2 1 210.296 2.167 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000650711702 410339936 /nfs/dbraw/zinc/33/99/36/410339936.db2.gz AKWPUORCABKCGS-FDYHWXHSSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000650711705 410340406 /nfs/dbraw/zinc/34/04/06/410340406.db2.gz AKWPUORCABKCGS-UMSGYPCISA-N 2 1 210.365 2.092 20 0 BEADMP Cc1cc(OCCc2c[nH+]cn2C)c(C)c(C)[nH+]1 ZINC000664043955 410444984 /nfs/dbraw/zinc/44/49/84/410444984.db2.gz ODSJQRFFUHAOQD-UHFFFAOYSA-N 2 1 245.326 2.362 20 0 BEADMP CO[C@@H](C[N@H+]1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000393283936 410673333 /nfs/dbraw/zinc/67/33/33/410673333.db2.gz BRSKJNDFRBRNLL-GJZGRUSLSA-N 2 1 248.370 2.045 20 0 BEADMP CC[C@H]([NH2+]CCc1cnccc1C)[C@@H]1CCC[NH2+]1 ZINC000665239207 410730129 /nfs/dbraw/zinc/73/01/29/410730129.db2.gz OBGKGBKAPQIANI-GJZGRUSLSA-N 2 1 247.386 2.053 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccccc1N(C)C ZINC000653299265 410817119 /nfs/dbraw/zinc/81/71/19/410817119.db2.gz MGUCJXNWAHDZBN-TZMCWYRMSA-N 2 1 247.386 2.064 20 0 BEADMP CC(C)OCCCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000341277151 167205710 /nfs/dbraw/zinc/20/57/10/167205710.db2.gz KFIIORXNPSJKSN-KGLIPLIRSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)SCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000308837580 167333896 /nfs/dbraw/zinc/33/38/96/167333896.db2.gz XDZATKQUDSQGQH-NEPJUHHUSA-N 2 1 230.421 2.058 20 0 BEADMP CC(C)SCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000304325760 167333445 /nfs/dbraw/zinc/33/34/45/167333445.db2.gz SVLFBSJFILVEQY-STQMWFEESA-N 2 1 242.432 2.344 20 0 BEADMP CCC1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000310013060 410996787 /nfs/dbraw/zinc/99/67/87/410996787.db2.gz JMTKCPPXYJJJGY-HHTDUIENSA-N 2 1 222.376 2.391 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)COC(C)C ZINC000651865013 411147700 /nfs/dbraw/zinc/14/77/00/411147700.db2.gz LAFNPSBMLRANNN-CQSZACIVSA-N 2 1 244.423 2.367 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)COC(C)C ZINC000651865012 411147755 /nfs/dbraw/zinc/14/77/55/411147755.db2.gz LAFNPSBMLRANNN-AWEZNQCLSA-N 2 1 244.423 2.367 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000651864704 411147994 /nfs/dbraw/zinc/14/79/94/411147994.db2.gz BCUGSUZRCUOKDO-MGPQQGTHSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000070622068 411153847 /nfs/dbraw/zinc/15/38/47/411153847.db2.gz ZYULCDFUQHRBAL-KGLIPLIRSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCSCC2)CC[N@@H+]1C ZINC000657893029 411156006 /nfs/dbraw/zinc/15/60/06/411156006.db2.gz ZANKODMIUJTLMP-FRRDWIJNSA-N 2 1 242.432 2.344 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCSCC2)CC[N@H+]1C ZINC000657893029 411156008 /nfs/dbraw/zinc/15/60/08/411156008.db2.gz ZANKODMIUJTLMP-FRRDWIJNSA-N 2 1 242.432 2.344 20 0 BEADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1CC1CCCC1 ZINC000655949293 411161748 /nfs/dbraw/zinc/16/17/48/411161748.db2.gz SLEKQDAGRWUAIB-AWEZNQCLSA-N 2 1 240.391 2.006 20 0 BEADMP COC(C)(C)[C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000652222380 411175407 /nfs/dbraw/zinc/17/54/07/411175407.db2.gz MTFKSSAOYZYKTB-ZDUSSCGKSA-N 2 1 244.423 2.367 20 0 BEADMP CC[C@@H](C)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000310036688 411196048 /nfs/dbraw/zinc/19/60/48/411196048.db2.gz UNEQAVMKDMNAQT-LLVKDONJSA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)[C@@H]1CCCCO1 ZINC000656202097 411206036 /nfs/dbraw/zinc/20/60/36/411206036.db2.gz YHCRWVSVHSQVBU-XUXIUFHCSA-N 2 1 240.391 2.064 20 0 BEADMP CCCCC[C@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000652343688 411208417 /nfs/dbraw/zinc/20/84/17/411208417.db2.gz FTOWCFXDOQZRGQ-ZDUSSCGKSA-N 2 1 228.380 2.006 20 0 BEADMP CC(C)CC[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000652343514 411208472 /nfs/dbraw/zinc/20/84/72/411208472.db2.gz OSBPNTCCVVXXRW-KGLIPLIRSA-N 2 1 224.392 2.497 20 0 BEADMP CCCC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346352 411208887 /nfs/dbraw/zinc/20/88/87/411208887.db2.gz ZOZVRFAJZHSLEW-IHRRRGAJSA-N 2 1 240.391 2.005 20 0 BEADMP Cc1nc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c(C)c(C)[nH+]1 ZINC000656211940 411210815 /nfs/dbraw/zinc/21/08/15/411210815.db2.gz SQRNXOOEHIVDKM-BETUJISGSA-N 2 1 248.374 2.154 20 0 BEADMP Cc1cc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc[nH+]1 ZINC000656226756 411212682 /nfs/dbraw/zinc/21/26/82/411212682.db2.gz OAWJTKRTNXJYQG-HUUCEWRRSA-N 2 1 245.370 2.241 20 0 BEADMP C[C@@H]1CCC[N@@H+](Cc2cccc(N)c2)[C@H]1CC[NH3+] ZINC000652356107 411215606 /nfs/dbraw/zinc/21/56/06/411215606.db2.gz SCDOEEXXZNIFLV-DOMZBBRYSA-N 2 1 247.386 2.218 20 0 BEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C1CC1 ZINC000422940453 411235294 /nfs/dbraw/zinc/23/52/94/411235294.db2.gz NICNIYODDGTYPX-SLEUVZQESA-N 2 1 232.371 2.333 20 0 BEADMP CC1(C)[C@@H]([NH2+]CC[NH3+])C[C@H]1c1ccccc1 ZINC000423193553 411237801 /nfs/dbraw/zinc/23/78/01/411237801.db2.gz WXJYNSOKTURFCQ-STQMWFEESA-N 2 1 218.344 2.117 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CS1 ZINC000655712164 411266719 /nfs/dbraw/zinc/26/67/19/411266719.db2.gz RHUFVXBGZRFKBJ-JHJVBQTASA-N 2 1 242.432 2.202 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000050952585 411269274 /nfs/dbraw/zinc/26/92/74/411269274.db2.gz TWZVOOJWQPXRKS-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CCCCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000309850075 411276774 /nfs/dbraw/zinc/27/67/74/411276774.db2.gz XDPQUQIQMAMKEC-UHFFFAOYSA-N 2 1 210.365 2.393 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CCCOC(C)(C)C)CC[N@H+]1C ZINC000658188033 411284447 /nfs/dbraw/zinc/28/44/47/411284447.db2.gz ZDCDYYZCBAKYGS-QWHCGFSZSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCCOC(C)(C)C)CC[N@H+]1C ZINC000658188032 411284521 /nfs/dbraw/zinc/28/45/21/411284521.db2.gz ZDCDYYZCBAKYGS-OLZOCXBDSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@]2(C)CC2(C)C)CC[N@@H+]1C ZINC000658305851 411329039 /nfs/dbraw/zinc/32/90/39/411329039.db2.gz BHPDVGMIOFUWKA-WZRBSPASSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@]2(C)CC2(C)C)CC[N@H+]1C ZINC000658305851 411329042 /nfs/dbraw/zinc/32/90/42/411329042.db2.gz BHPDVGMIOFUWKA-WZRBSPASSA-N 2 1 210.365 2.247 20 0 BEADMP CCC[C@H](C)C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000309854019 411295131 /nfs/dbraw/zinc/29/51/31/411295131.db2.gz ZKLFNKJAHLBFPE-YNEHKIRRSA-N 2 1 210.365 2.106 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000309854019 411295133 /nfs/dbraw/zinc/29/51/33/411295133.db2.gz ZKLFNKJAHLBFPE-YNEHKIRRSA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CC2(F)F)[C@@H](C)C1 ZINC000658220093 411299654 /nfs/dbraw/zinc/29/96/54/411299654.db2.gz OXOSJYMRQCLCQR-SRVKXCTJSA-N 2 1 246.345 2.352 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC[C@]2(C)CC2(F)F)CC[N@H+]1C ZINC000658223088 411302417 /nfs/dbraw/zinc/30/24/17/411302417.db2.gz SKGZFQSBBJGRJY-IJLUTSLNSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000401785756 411330671 /nfs/dbraw/zinc/33/06/71/411330671.db2.gz ZOCHNTLNQALXFA-YPMHNXCESA-N 2 1 210.365 2.297 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2CCc3ccc(O)cc32)CC1 ZINC000658239658 411308231 /nfs/dbraw/zinc/30/82/31/411308231.db2.gz ONAICYCSVXVZLS-OAHLLOKOSA-N 2 1 246.354 2.063 20 0 BEADMP CCC[C@@H](C)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402753210 411310980 /nfs/dbraw/zinc/31/09/80/411310980.db2.gz DCSPJJYJFBGFER-RDBSUJKOSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@@H](C[NH2+][C@H]1CCCc2cccnc21)C[NH+](C)C ZINC000311099093 411314133 /nfs/dbraw/zinc/31/41/33/411314133.db2.gz JSSJUVPJRZWTSO-JSGCOSHPSA-N 2 1 247.386 2.246 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C(C)(C)C2(F)F)CC[N@H+]1C ZINC000658279762 411319871 /nfs/dbraw/zinc/31/98/71/411319871.db2.gz CPDBQPQESAMTIX-GMTAPVOTSA-N 2 1 246.345 2.350 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1F ZINC000424388027 411249624 /nfs/dbraw/zinc/24/96/24/411249624.db2.gz YYKQYGIPEYAWLY-ZIAGYGMSSA-N 2 1 236.334 2.494 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)C ZINC000304265492 411357044 /nfs/dbraw/zinc/35/70/44/411357044.db2.gz JUOBJWLYYCQQNH-XQQFMLRXSA-N 2 1 224.392 2.495 20 0 BEADMP CCCC[N@H+](CC)CCCc1c[nH+]cn1C ZINC000653481731 411357442 /nfs/dbraw/zinc/35/74/42/411357442.db2.gz QMBJZWRBHFSSMY-UHFFFAOYSA-N 2 1 223.364 2.475 20 0 BEADMP CCCC[N@@H+](CC)CCCc1c[nH+]cn1C ZINC000653481731 411357444 /nfs/dbraw/zinc/35/74/44/411357444.db2.gz QMBJZWRBHFSSMY-UHFFFAOYSA-N 2 1 223.364 2.475 20 0 BEADMP C[C@@H]1CCC[C@@H](C[N@@H+](C)CC(C)(C)N)C1 ZINC000656784640 411361337 /nfs/dbraw/zinc/36/13/37/411361337.db2.gz GHOTVCTVGXDPQS-VXGBXAGGSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H]1CCC[C@@H](CN(C)CC(C)(C)[NH3+])C1 ZINC000656784640 411361340 /nfs/dbraw/zinc/36/13/40/411361340.db2.gz GHOTVCTVGXDPQS-VXGBXAGGSA-N 2 1 212.381 2.482 20 0 BEADMP C[N@H+](Cc1cccc2c1CCC2)CC(C)(C)[NH3+] ZINC000656786010 411364050 /nfs/dbraw/zinc/36/40/50/411364050.db2.gz SRTOAKYCYISNPJ-UHFFFAOYSA-N 2 1 232.371 2.344 20 0 BEADMP C[N@@H+](Cc1cccc2c1CCC2)CC(C)(C)[NH3+] ZINC000656786010 411364053 /nfs/dbraw/zinc/36/40/53/411364053.db2.gz SRTOAKYCYISNPJ-UHFFFAOYSA-N 2 1 232.371 2.344 20 0 BEADMP C[N@H+](Cc1ccc2cnccc2c1)CC(C)(C)[NH3+] ZINC000656786067 411364482 /nfs/dbraw/zinc/36/44/82/411364482.db2.gz UZFKBUGBESCPHE-UHFFFAOYSA-N 2 1 243.354 2.404 20 0 BEADMP C[N@@H+](Cc1ccc2cnccc2c1)CC(C)(C)[NH3+] ZINC000656786067 411364487 /nfs/dbraw/zinc/36/44/87/411364487.db2.gz UZFKBUGBESCPHE-UHFFFAOYSA-N 2 1 243.354 2.404 20 0 BEADMP C1CC1[NH+]1CCC([NH2+][C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403322133 411341877 /nfs/dbraw/zinc/34/18/77/411341877.db2.gz MAXDUHXPTSWQKZ-SGMGOOAPSA-N 2 1 234.387 2.391 20 0 BEADMP CSc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000659850186 411342138 /nfs/dbraw/zinc/34/21/38/411342138.db2.gz OBIXNUAUYYMLQE-STQMWFEESA-N 2 1 248.395 2.060 20 0 BEADMP CC1=CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000336556113 168112207 /nfs/dbraw/zinc/11/22/07/168112207.db2.gz GRBGCABHJAPBNU-CYBMUJFWSA-N 2 1 208.349 2.123 20 0 BEADMP CC1=CC[N@H+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000336556113 168112208 /nfs/dbraw/zinc/11/22/08/168112208.db2.gz GRBGCABHJAPBNU-CYBMUJFWSA-N 2 1 208.349 2.123 20 0 BEADMP CC1=CC[N@@H+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000336556113 168112209 /nfs/dbraw/zinc/11/22/09/168112209.db2.gz GRBGCABHJAPBNU-CYBMUJFWSA-N 2 1 208.349 2.123 20 0 BEADMP CC1=CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000336556114 168112482 /nfs/dbraw/zinc/11/24/82/168112482.db2.gz GRBGCABHJAPBNU-ZDUSSCGKSA-N 2 1 208.349 2.123 20 0 BEADMP CC1=CC[N@H+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000336556114 168112485 /nfs/dbraw/zinc/11/24/85/168112485.db2.gz GRBGCABHJAPBNU-ZDUSSCGKSA-N 2 1 208.349 2.123 20 0 BEADMP CC1=CC[N@@H+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000336556114 168112488 /nfs/dbraw/zinc/11/24/88/168112488.db2.gz GRBGCABHJAPBNU-ZDUSSCGKSA-N 2 1 208.349 2.123 20 0 BEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC1CC=CC1)C2 ZINC000660659644 411374703 /nfs/dbraw/zinc/37/47/03/411374703.db2.gz ACAKAYIWXYEGLH-HNNXBMFYSA-N 2 1 234.387 2.370 20 0 BEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC1CC=CC1)C2 ZINC000660659644 411374706 /nfs/dbraw/zinc/37/47/06/411374706.db2.gz ACAKAYIWXYEGLH-HNNXBMFYSA-N 2 1 234.387 2.370 20 0 BEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC1CC=CC1)C2 ZINC000660659644 411374710 /nfs/dbraw/zinc/37/47/10/411374710.db2.gz ACAKAYIWXYEGLH-HNNXBMFYSA-N 2 1 234.387 2.370 20 0 BEADMP CC1CCC([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000044535154 168164750 /nfs/dbraw/zinc/16/47/50/168164750.db2.gz VTGWZOJOEVFGBP-ROKHWSDSSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CCC[N@@H+](Cc2ccccn2)[C@H]1CC[NH3+] ZINC000404360303 411391610 /nfs/dbraw/zinc/39/16/10/411391610.db2.gz DWXVNHHJYKQGQV-OCCSQVGLSA-N 2 1 233.359 2.031 20 0 BEADMP C[C@H]1CCC[N@@H+](Cc2cccnc2)[C@H]1CC[NH3+] ZINC000404379084 411392434 /nfs/dbraw/zinc/39/24/34/411392434.db2.gz LOKHHMAWBSLIDR-JSGCOSHPSA-N 2 1 233.359 2.031 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCSC2)[C@H]1CC[NH3+] ZINC000404492788 411398956 /nfs/dbraw/zinc/39/89/56/411398956.db2.gz CMFFBBHWJIJEJW-UPJWGTAASA-N 2 1 242.432 2.189 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCSC2)[C@H]1CC[NH3+] ZINC000404492785 411399215 /nfs/dbraw/zinc/39/92/15/411399215.db2.gz CMFFBBHWJIJEJW-AGIUHOORSA-N 2 1 242.432 2.189 20 0 BEADMP C[C@H]1C[N@@H+](CC(C)(C)[NH3+])CCc2ccccc21 ZINC000404804932 411408253 /nfs/dbraw/zinc/40/82/53/411408253.db2.gz XKYVVFDFUNLWMN-LBPRGKRZSA-N 2 1 232.371 2.386 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCc2ccccc21 ZINC000404880766 411411232 /nfs/dbraw/zinc/41/12/32/411411232.db2.gz FVQYXAYFJZRMOH-KGLIPLIRSA-N 2 1 244.382 2.258 20 0 BEADMP CCO[C@@H]1C[N@H+]([C@@H](C)c2ccccc2)C[C@H]1C[NH3+] ZINC000405471223 411431095 /nfs/dbraw/zinc/43/10/95/411431095.db2.gz UXGPQVROZNPOAS-NWANDNLSSA-N 2 1 248.370 2.043 20 0 BEADMP CCO[C@@H]1C[N@H+]([C@H](C)c2ccccc2)C[C@H]1C[NH3+] ZINC000405471220 411431230 /nfs/dbraw/zinc/43/12/30/411431230.db2.gz UXGPQVROZNPOAS-BPLDGKMQSA-N 2 1 248.370 2.043 20 0 BEADMP C[NH2+]CC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000414831444 411449370 /nfs/dbraw/zinc/44/93/70/411449370.db2.gz PKIIEYKZNITVCL-KBPBESRZSA-N 2 1 236.334 2.271 20 0 BEADMP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])c(C)c1 ZINC000415003691 411482554 /nfs/dbraw/zinc/48/25/54/411482554.db2.gz GKHYTSNAFJDDLL-NEPJUHHUSA-N 2 1 206.333 2.129 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC000659927379 411499868 /nfs/dbraw/zinc/49/98/68/411499868.db2.gz QDFDQBYIIFWQOO-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CCc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000342136579 411505551 /nfs/dbraw/zinc/50/55/51/411505551.db2.gz ONTVBDKWPRYRNH-UHFFFAOYSA-N 2 1 218.344 2.220 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000336773920 169974255 /nfs/dbraw/zinc/97/42/55/169974255.db2.gz WLNLAMAGYRFKIQ-CHWSQXEVSA-N 2 1 242.432 2.061 20 0 BEADMP C[C@H](Cc1ccccn1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000655836746 411531879 /nfs/dbraw/zinc/53/18/79/411531879.db2.gz NXLOXLSDMFTHBI-IPYPFGDCSA-N 2 1 247.386 2.085 20 0 BEADMP C[C@H](Cc1ccccn1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000655836746 411531882 /nfs/dbraw/zinc/53/18/82/411531882.db2.gz NXLOXLSDMFTHBI-IPYPFGDCSA-N 2 1 247.386 2.085 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC000037484205 170007396 /nfs/dbraw/zinc/00/73/96/170007396.db2.gz YDBSZXYECNMITE-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cncc(C)c2)C1 ZINC000184285032 170008402 /nfs/dbraw/zinc/00/84/02/170008402.db2.gz UQXLZRBTYBDKIQ-KBPBESRZSA-N 2 1 247.386 2.382 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC(C)C)C[C@H]1C ZINC000336643801 170009139 /nfs/dbraw/zinc/00/91/39/170009139.db2.gz DSODZKHMPBFUQF-CHWSQXEVSA-N 2 1 212.381 2.447 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC(C)C)C[C@H]1C ZINC000336643801 170009141 /nfs/dbraw/zinc/00/91/41/170009141.db2.gz DSODZKHMPBFUQF-CHWSQXEVSA-N 2 1 212.381 2.447 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC(C)C)C[C@H]1C ZINC000336643801 170009143 /nfs/dbraw/zinc/00/91/43/170009143.db2.gz DSODZKHMPBFUQF-CHWSQXEVSA-N 2 1 212.381 2.447 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]C2CC(F)(F)C2)[C@@H](C)C1 ZINC000309676848 170012567 /nfs/dbraw/zinc/01/25/67/170012567.db2.gz YBGGHOUPZHIMMU-GXSJLCMTSA-N 2 1 232.318 2.104 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCF)[C@H](C)C1 ZINC000309063946 170013302 /nfs/dbraw/zinc/01/33/02/170013302.db2.gz YHLQEGPPODKSSE-VXGBXAGGSA-N 2 1 216.344 2.056 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC000037484204 170015969 /nfs/dbraw/zinc/01/59/69/170015969.db2.gz YDBSZXYECNMITE-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](C)C2)C1 ZINC000224995161 170016009 /nfs/dbraw/zinc/01/60/09/170016009.db2.gz AYTUGLYRFRWHKY-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CC2(C)C)C1 ZINC000309973733 170016293 /nfs/dbraw/zinc/01/62/93/170016293.db2.gz RESWJAKVCSRVCU-XQQFMLRXSA-N 2 1 224.392 2.352 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000249372160 170017046 /nfs/dbraw/zinc/01/70/46/170017046.db2.gz DBVQTCPPJBSYMT-CHWSQXEVSA-N 2 1 248.370 2.385 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccsc2C)C1 ZINC000293726437 170017147 /nfs/dbraw/zinc/01/71/47/170017147.db2.gz YWHGABBKOFQLDE-GFCCVEGCSA-N 2 1 238.400 2.488 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCSC2)[C@H](C)C1 ZINC000336779018 170020067 /nfs/dbraw/zinc/02/00/67/170020067.db2.gz MZGUFMJUXDOLFG-UPJWGTAASA-N 2 1 242.432 2.059 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C)CC2)[C@@H](C)C1 ZINC000309054340 170020111 /nfs/dbraw/zinc/02/01/11/170020111.db2.gz SSWVVRAKGVDXIG-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CC2(C)C)[C@@H](C)C1 ZINC000309426302 170021444 /nfs/dbraw/zinc/02/14/44/170021444.db2.gz FIFFYMMZZJRRNB-XQQFMLRXSA-N 2 1 224.392 2.352 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C)[C@@H](C)C1 ZINC000336746413 170021913 /nfs/dbraw/zinc/02/19/13/170021913.db2.gz BKLBCAXYAGYYME-RVMXOQNASA-N 2 1 210.365 2.105 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CSC2(C)C)[C@@H](C)C1 ZINC000336779647 170022529 /nfs/dbraw/zinc/02/25/29/170022529.db2.gz PABRWJZNXNEKRN-SRVKXCTJSA-N 2 1 242.432 2.200 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC2(C)C)[C@H](C)C1 ZINC000309043409 170022783 /nfs/dbraw/zinc/02/27/83/170022783.db2.gz MUAGHNVKEZFJBD-GRYCIOLGSA-N 2 1 210.365 2.105 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC2(C)C)[C@H](C)C1 ZINC000309043412 170022845 /nfs/dbraw/zinc/02/28/45/170022845.db2.gz MUAGHNVKEZFJBD-WOPDTQHZSA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)(C)[N@@H+]1CC[C@@H]1CNCc1cccnc1 ZINC000657524754 411542222 /nfs/dbraw/zinc/54/22/22/411542222.db2.gz QXJSAGXEOFOBLU-CYBMUJFWSA-N 2 1 233.359 2.044 20 0 BEADMP CC(C)(C)[N@H+]1CC[C@@H]1CNCc1cccnc1 ZINC000657524754 411542224 /nfs/dbraw/zinc/54/22/24/411542224.db2.gz QXJSAGXEOFOBLU-CYBMUJFWSA-N 2 1 233.359 2.044 20 0 BEADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CCCCO1 ZINC000655848707 411536835 /nfs/dbraw/zinc/53/68/35/411536835.db2.gz JWULZFIMMKSXLR-ZIAGYGMSSA-N 2 1 240.391 2.018 20 0 BEADMP CC[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)CO1 ZINC000657501639 411538349 /nfs/dbraw/zinc/53/83/49/411538349.db2.gz YQWCUPIWVUDQML-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP c1cc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)co1 ZINC000657653332 411570726 /nfs/dbraw/zinc/57/07/26/411570726.db2.gz JJZJZAPHNIFSGK-UONOGXRCSA-N 2 1 234.343 2.039 20 0 BEADMP CCOC1CC([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC000124447913 170328203 /nfs/dbraw/zinc/32/82/03/170328203.db2.gz PSHIDRGFLFRQIU-UHFFFAOYSA-N 2 1 240.391 2.018 20 0 BEADMP CC1(C)C[C@]1(C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657761396 411591475 /nfs/dbraw/zinc/59/14/75/411591475.db2.gz KAOBNEKQXWUZLL-OBJOEFQTSA-N 2 1 222.376 2.391 20 0 BEADMP CC1(C)C[C@]1(C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657761397 411591635 /nfs/dbraw/zinc/59/16/35/411591635.db2.gz KAOBNEKQXWUZLL-SCRDCRAPSA-N 2 1 222.376 2.391 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCSCC2)C1 ZINC000657875880 411614958 /nfs/dbraw/zinc/61/49/58/411614958.db2.gz IOJCBXXMDKMEIV-QWHCGFSZSA-N 2 1 242.432 2.204 20 0 BEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC1CCC1)C2 ZINC000660658130 411615050 /nfs/dbraw/zinc/61/50/50/411615050.db2.gz CLMSCZHTSQVDMI-CQSZACIVSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC000660658130 411615052 /nfs/dbraw/zinc/61/50/52/411615052.db2.gz CLMSCZHTSQVDMI-CQSZACIVSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC000660658130 411615054 /nfs/dbraw/zinc/61/50/54/411615054.db2.gz CLMSCZHTSQVDMI-CQSZACIVSA-N 2 1 222.376 2.204 20 0 BEADMP CC(C)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656823 411615319 /nfs/dbraw/zinc/61/53/19/411615319.db2.gz VCUDTBZRHGLEDV-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP CC(C)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660656823 411615320 /nfs/dbraw/zinc/61/53/20/411615320.db2.gz VCUDTBZRHGLEDV-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP CC(C)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660656823 411615322 /nfs/dbraw/zinc/61/53/22/411615322.db2.gz VCUDTBZRHGLEDV-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCCF)C2 ZINC000660665136 411615868 /nfs/dbraw/zinc/61/58/68/411615868.db2.gz URKDKPSJZRPULA-CYBMUJFWSA-N 2 1 228.355 2.154 20 0 BEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCCF)C2 ZINC000660665136 411615869 /nfs/dbraw/zinc/61/58/69/411615869.db2.gz URKDKPSJZRPULA-CYBMUJFWSA-N 2 1 228.355 2.154 20 0 BEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCCF)C2 ZINC000660665136 411615870 /nfs/dbraw/zinc/61/58/70/411615870.db2.gz URKDKPSJZRPULA-CYBMUJFWSA-N 2 1 228.355 2.154 20 0 BEADMP C[N@H+]1CCC[C@H](CNc2[nH+]ccc3[nH]ccc32)C1 ZINC000663578764 411705030 /nfs/dbraw/zinc/70/50/30/411705030.db2.gz LYMBUUDYILWBEY-LLVKDONJSA-N 2 1 244.342 2.317 20 0 BEADMP CC[C@@H](C)[N@H+](CC)CCCc1c[nH+]cn1C ZINC000661103919 411708755 /nfs/dbraw/zinc/70/87/55/411708755.db2.gz INWBPVUJIUWBFW-GFCCVEGCSA-N 2 1 223.364 2.473 20 0 BEADMP CC[C@@H](C)[N@@H+](CC)CCCc1c[nH+]cn1C ZINC000661103919 411708761 /nfs/dbraw/zinc/70/87/61/411708761.db2.gz INWBPVUJIUWBFW-GFCCVEGCSA-N 2 1 223.364 2.473 20 0 BEADMP C[C@@]1(C[N@H+]2CCC[C@H](C3CCC3)C2)CC[NH2+]C1 ZINC000663499125 411682193 /nfs/dbraw/zinc/68/21/93/411682193.db2.gz ATONQDZBJMPTJG-LSDHHAIUSA-N 2 1 236.403 2.498 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2CCCC[C@@H]21 ZINC000660933312 411684167 /nfs/dbraw/zinc/68/41/67/411684167.db2.gz OQPIICOSEABOCN-MJBXVCDLSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660933312 411684170 /nfs/dbraw/zinc/68/41/70/411684170.db2.gz OQPIICOSEABOCN-MJBXVCDLSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660933312 411684173 /nfs/dbraw/zinc/68/41/73/411684173.db2.gz OQPIICOSEABOCN-MJBXVCDLSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000663509807 411691802 /nfs/dbraw/zinc/69/18/02/411691802.db2.gz AOCGXKIYWJRXJF-VXGBXAGGSA-N 2 1 238.350 2.344 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000663509798 411692904 /nfs/dbraw/zinc/69/29/04/411692904.db2.gz AOCGXKIYWJRXJF-NEPJUHHUSA-N 2 1 238.350 2.344 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+]CCCCOc1ccccc1 ZINC000663512280 411695505 /nfs/dbraw/zinc/69/55/05/411695505.db2.gz FZMVLBZWWVCBDE-ZDUSSCGKSA-N 2 1 236.359 2.043 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1F ZINC000663514924 411697181 /nfs/dbraw/zinc/69/71/81/411697181.db2.gz WDTHGPBXHOZQIX-NWDGAFQWSA-N 2 1 238.350 2.344 20 0 BEADMP CC[N@H+]1CCN(c2[nH+]ccc3[nH]ccc32)[C@@H](C)C1 ZINC000663905145 411770474 /nfs/dbraw/zinc/77/04/74/411770474.db2.gz PUFCOPNJFNIBTH-NSHDSACASA-N 2 1 244.342 2.093 20 0 BEADMP CC[C@@H](C)[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000049330385 170773326 /nfs/dbraw/zinc/77/33/26/170773326.db2.gz JVCPHWLHXUXRDG-GHMZBOCLSA-N 2 1 209.337 2.216 20 0 BEADMP Cc1c[nH+]ccc1NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000664142382 411870076 /nfs/dbraw/zinc/87/00/76/411870076.db2.gz JHBRCGLKHSDDDQ-LBPRGKRZSA-N 2 1 233.359 2.097 20 0 BEADMP CCC[N@H+](C)CC(C)(C)[NH2+]CC[C@H]1CCOC1 ZINC000662179371 412021339 /nfs/dbraw/zinc/02/13/39/412021339.db2.gz KDIDHUSYSYAHSG-ZDUSSCGKSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CC[C@H]1CCOC1 ZINC000662179371 412021344 /nfs/dbraw/zinc/02/13/44/412021344.db2.gz KDIDHUSYSYAHSG-ZDUSSCGKSA-N 2 1 242.407 2.123 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000662244106 412039061 /nfs/dbraw/zinc/03/90/61/412039061.db2.gz BUEQYIWFVWSILS-MNOVXSKESA-N 2 1 234.334 2.209 20 0 BEADMP CC1(C)CCCC[C@@H]1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000662244658 412041340 /nfs/dbraw/zinc/04/13/40/412041340.db2.gz RKSPBIZNHRNFOA-NEPJUHHUSA-N 2 1 210.365 2.236 20 0 BEADMP CC1(C)CCCC[C@@H]1C[N@H+]1CC[C@H]([NH3+])C1 ZINC000662244658 412041343 /nfs/dbraw/zinc/04/13/43/412041343.db2.gz RKSPBIZNHRNFOA-NEPJUHHUSA-N 2 1 210.365 2.236 20 0 BEADMP CN(CC[C@@H]1CCC[N@H+]1C)CC1=CCSC1 ZINC000662262709 412054974 /nfs/dbraw/zinc/05/49/74/412054974.db2.gz CLLZXSALOBYPKK-ZDUSSCGKSA-N 2 1 240.416 2.076 20 0 BEADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)CC1=CCSC1 ZINC000662262709 412054976 /nfs/dbraw/zinc/05/49/76/412054976.db2.gz CLLZXSALOBYPKK-ZDUSSCGKSA-N 2 1 240.416 2.076 20 0 BEADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)CC1=CCSC1 ZINC000662262709 412054977 /nfs/dbraw/zinc/05/49/77/412054977.db2.gz CLLZXSALOBYPKK-ZDUSSCGKSA-N 2 1 240.416 2.076 20 0 BEADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)CC1=CCSC1 ZINC000662262709 412054979 /nfs/dbraw/zinc/05/49/79/412054979.db2.gz CLLZXSALOBYPKK-ZDUSSCGKSA-N 2 1 240.416 2.076 20 0 BEADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)CC1=CCSC1 ZINC000662262709 412054980 /nfs/dbraw/zinc/05/49/80/412054980.db2.gz CLLZXSALOBYPKK-ZDUSSCGKSA-N 2 1 240.416 2.076 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000309612751 171045751 /nfs/dbraw/zinc/04/57/51/171045751.db2.gz AQWVQYUFZYSFPU-SYQHCUMBSA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC000310036768 171059182 /nfs/dbraw/zinc/05/91/82/171059182.db2.gz UNXCJDIKDNUZMF-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000309090176 171060039 /nfs/dbraw/zinc/06/00/39/171060039.db2.gz BXABFRUWHKBKTL-JHJVBQTASA-N 2 1 212.381 2.493 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000309090176 171060043 /nfs/dbraw/zinc/06/00/43/171060043.db2.gz BXABFRUWHKBKTL-JHJVBQTASA-N 2 1 212.381 2.493 20 0 BEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CCS1 ZINC000233952018 171085643 /nfs/dbraw/zinc/08/56/43/171085643.db2.gz IHCGJTOYNRXHTN-YNEHKIRRSA-N 2 1 242.432 2.202 20 0 BEADMP CC(C)=CCC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000662274890 412067827 /nfs/dbraw/zinc/06/78/27/412067827.db2.gz OAXCERURPUJFGY-QWHCGFSZSA-N 2 1 208.349 2.027 20 0 BEADMP CC(C)=CCC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000662274890 412067833 /nfs/dbraw/zinc/06/78/33/412067833.db2.gz OAXCERURPUJFGY-QWHCGFSZSA-N 2 1 208.349 2.027 20 0 BEADMP CO[C@@H](C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C)C1CCCCC1 ZINC000662277872 412069076 /nfs/dbraw/zinc/06/90/76/412069076.db2.gz SRHZOGUAYRBRGN-UBHSHLNASA-N 2 1 240.391 2.003 20 0 BEADMP CO[C@@H](C[N@H+]1CC[C@H]([NH3+])[C@@H]1C)C1CCCCC1 ZINC000662277872 412069080 /nfs/dbraw/zinc/06/90/80/412069080.db2.gz SRHZOGUAYRBRGN-UBHSHLNASA-N 2 1 240.391 2.003 20 0 BEADMP C[C@H]1CC[N@@H+](CCCC2CCC2)C[C@H]1C[NH3+] ZINC000662280466 412071146 /nfs/dbraw/zinc/07/11/46/412071146.db2.gz FBDDGEJABNCNTD-GXTWGEPZSA-N 2 1 224.392 2.483 20 0 BEADMP CC(C)=CCC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000662282665 412073186 /nfs/dbraw/zinc/07/31/86/412073186.db2.gz PRRMRGUIPJKGAF-QWHCGFSZSA-N 2 1 210.365 2.259 20 0 BEADMP C[C@H]1CC2(C[N@H+]1C[C@@H]1C[C@H]3C[C@H]3C1)CC[NH2+]CC2 ZINC000662283047 412075203 /nfs/dbraw/zinc/07/52/03/412075203.db2.gz KCCMLSMJAFGMHN-XQLPTFJDSA-N 2 1 248.414 2.497 20 0 BEADMP CC[C@H](C)C[N@H+](C)CC[NH2+]C(C)(C)C ZINC000042302605 171273431 /nfs/dbraw/zinc/27/34/31/171273431.db2.gz YPLHYDAFMOQWLO-NSHDSACASA-N 2 1 200.370 2.352 20 0 BEADMP CC[C@H](C)C[N@@H+](C)CC[NH2+]C(C)(C)C ZINC000042302605 171273433 /nfs/dbraw/zinc/27/34/33/171273433.db2.gz YPLHYDAFMOQWLO-NSHDSACASA-N 2 1 200.370 2.352 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000662282904 412076042 /nfs/dbraw/zinc/07/60/42/412076042.db2.gz DGAUQYCKLCWKPF-AXFHLTTASA-N 2 1 234.334 2.479 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000336686539 171281920 /nfs/dbraw/zinc/28/19/20/171281920.db2.gz WNVIOSPCKKQOTF-MELADBBJSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@H](C)C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000336686539 171281921 /nfs/dbraw/zinc/28/19/21/171281921.db2.gz WNVIOSPCKKQOTF-MELADBBJSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@H](C)C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000336686539 171281922 /nfs/dbraw/zinc/28/19/22/171281922.db2.gz WNVIOSPCKKQOTF-MELADBBJSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@H](C)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335619801 171282499 /nfs/dbraw/zinc/28/24/99/171282499.db2.gz NASYOPGEMZCVST-QWHCGFSZSA-N 2 1 210.365 2.108 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CC(C)(C)C1 ZINC000309088023 171305834 /nfs/dbraw/zinc/30/58/34/171305834.db2.gz BEXRECZEEQCFBF-NSHDSACASA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CC(C)(C)C1 ZINC000309088023 171305836 /nfs/dbraw/zinc/30/58/36/171305836.db2.gz BEXRECZEEQCFBF-NSHDSACASA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000336659923 171308639 /nfs/dbraw/zinc/30/86/39/171308639.db2.gz BQZICSIZAQBHIJ-YVECIDJPSA-N 2 1 212.381 2.351 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000336659923 171308641 /nfs/dbraw/zinc/30/86/41/171308641.db2.gz BQZICSIZAQBHIJ-YVECIDJPSA-N 2 1 212.381 2.351 20 0 BEADMP CC[C@H](C)[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000337260812 171319592 /nfs/dbraw/zinc/31/95/92/171319592.db2.gz XKODXWDSCRPPTK-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP C[C@H]([NH3+])C[N@@H+]1CCCC2(CCCC2)CC1 ZINC000662298254 412085258 /nfs/dbraw/zinc/08/52/58/412085258.db2.gz ASVSNKWFICQVML-LBPRGKRZSA-N 2 1 210.365 2.380 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CCCC2(CCCC2)CC1 ZINC000662298254 412085263 /nfs/dbraw/zinc/08/52/63/412085263.db2.gz ASVSNKWFICQVML-LBPRGKRZSA-N 2 1 210.365 2.380 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000662284859 412078443 /nfs/dbraw/zinc/07/84/43/412078443.db2.gz QDBKRAXRLMYGHP-HNNXBMFYSA-N 2 1 232.371 2.476 20 0 BEADMP COc1cccc([C@H](C)[N@H+](C)CC(C)(C)[NH3+])c1 ZINC000662293586 412081255 /nfs/dbraw/zinc/08/12/55/412081255.db2.gz UWJYECNYNQYLOM-NSHDSACASA-N 2 1 236.359 2.425 20 0 BEADMP COc1cccc([C@H](C)[N@@H+](C)CC(C)(C)[NH3+])c1 ZINC000662293586 412081257 /nfs/dbraw/zinc/08/12/57/412081257.db2.gz UWJYECNYNQYLOM-NSHDSACASA-N 2 1 236.359 2.425 20 0 BEADMP C[N@@H+](CCCC(C)(C)C)CC(C)(C)[NH3+] ZINC000662293721 412081570 /nfs/dbraw/zinc/08/15/70/412081570.db2.gz IJBAVNKNDWFDLN-UHFFFAOYSA-N 2 1 200.370 2.482 20 0 BEADMP CCC(C)(C)CC[N@@H+](C)CC(C)(C)[NH3+] ZINC000662294109 412081622 /nfs/dbraw/zinc/08/16/22/412081622.db2.gz JALKKVJUZVSFSK-UHFFFAOYSA-N 2 1 200.370 2.482 20 0 BEADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000037484273 171389065 /nfs/dbraw/zinc/38/90/65/171389065.db2.gz PPFDCIHSNHBGOP-AVGNSLFASA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]([NH3+])C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000662305364 412090650 /nfs/dbraw/zinc/09/06/50/412090650.db2.gz GFAUVCRMZADUSQ-YPMHNXCESA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H](c1ccccc1)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662306774 412093122 /nfs/dbraw/zinc/09/31/22/412093122.db2.gz DEJLKVWBZBVMOV-LKSINWNRSA-N 2 1 216.328 2.171 20 0 BEADMP C[C@H](c1ccccc1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662306774 412093123 /nfs/dbraw/zinc/09/31/23/412093123.db2.gz DEJLKVWBZBVMOV-LKSINWNRSA-N 2 1 216.328 2.171 20 0 BEADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000662317797 412098407 /nfs/dbraw/zinc/09/84/07/412098407.db2.gz SRCKECZRBKKNOH-JSGCOSHPSA-N 2 1 222.376 2.108 20 0 BEADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662317796 412098425 /nfs/dbraw/zinc/09/84/25/412098425.db2.gz SRCKECZRBKKNOH-GXTWGEPZSA-N 2 1 222.376 2.108 20 0 BEADMP C[C@@H]1CCC[N@@H+](CCCF)[C@@H]1CCC[NH3+] ZINC000662318427 412098887 /nfs/dbraw/zinc/09/88/87/412098887.db2.gz ZFGQNDNHCZUZBY-VXGBXAGGSA-N 2 1 216.344 2.185 20 0 BEADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCc2ccccc21 ZINC000662322547 412099742 /nfs/dbraw/zinc/09/97/42/412099742.db2.gz NAFDBNYXEDMZFS-UKRRQHHQSA-N 2 1 244.382 2.258 20 0 BEADMP Cn1c[nH+]cc1CCC[N@H+](C)C[C@@H]1CC1(C)C ZINC000662345475 412113160 /nfs/dbraw/zinc/11/31/60/412113160.db2.gz ZAEQYYROWHQWET-LBPRGKRZSA-N 2 1 235.375 2.331 20 0 BEADMP Cn1c[nH+]cc1CCC[N@@H+](C)C[C@@H]1CC1(C)C ZINC000662345475 412113161 /nfs/dbraw/zinc/11/31/61/412113161.db2.gz ZAEQYYROWHQWET-LBPRGKRZSA-N 2 1 235.375 2.331 20 0 BEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000665237452 412177907 /nfs/dbraw/zinc/17/79/07/412177907.db2.gz BGPPMHDJBOWDSY-QWHCGFSZSA-N 2 1 230.311 2.402 20 0 BEADMP c1ccc([C@H]2CC[C@H]([NH2+][C@H]3CC[NH2+]C3)C2)cc1 ZINC000665242023 412184658 /nfs/dbraw/zinc/18/46/58/412184658.db2.gz IEUFMSZRTZBVRI-KKUMJFAQSA-N 2 1 230.355 2.274 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)[C@@H]1CCC[NH2+]1 ZINC000665273734 412214975 /nfs/dbraw/zinc/21/49/75/412214975.db2.gz CKQMDMNMGXRJTR-KXUCPTDWSA-N 2 1 232.318 2.008 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000665274073 412215136 /nfs/dbraw/zinc/21/51/36/412215136.db2.gz JGGNYLPYFMQJDO-VWYCJHECSA-N 2 1 246.345 2.398 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)[C@H]1CCCC[NH2+]1 ZINC000665264667 412206941 /nfs/dbraw/zinc/20/69/41/412206941.db2.gz FUDDMIOWWIUZMM-AAVRWANBSA-N 2 1 240.391 2.064 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)[C@@H]1CCCC[NH2+]1 ZINC000665264670 412207975 /nfs/dbraw/zinc/20/79/75/412207975.db2.gz FUDDMIOWWIUZMM-RQJABVFESA-N 2 1 240.391 2.064 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@]1(C)CC1(F)F ZINC000665267069 412210546 /nfs/dbraw/zinc/21/05/46/412210546.db2.gz PDOSMWTVOUIZSH-GMTAPVOTSA-N 2 1 232.318 2.009 20 0 BEADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)c1ccccn1 ZINC000665232054 412170015 /nfs/dbraw/zinc/17/00/15/412170015.db2.gz FCPINYRHYBEMNR-NFAWXSAZSA-N 2 1 247.386 2.305 20 0 BEADMP CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[NH2+]C ZINC000665298326 412246409 /nfs/dbraw/zinc/24/64/09/412246409.db2.gz UWDGMWCUQCGJMZ-SRVKXCTJSA-N 2 1 200.370 2.399 20 0 BEADMP C[C@@H]1C[C@H](Nc2cc[nH+]c3ccsc32)CC[NH2+]1 ZINC000663238850 412398287 /nfs/dbraw/zinc/39/82/87/412398287.db2.gz DUWOBZBDACSSOQ-NXEZZACHSA-N 2 1 247.367 2.271 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C(F)F)CC1 ZINC000336678549 173027096 /nfs/dbraw/zinc/02/70/96/173027096.db2.gz BQIQSBVWFCLAJC-GFCCVEGCSA-N 2 1 246.345 2.448 20 0 BEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCCF)CC[C@H]21 ZINC000367158583 173036293 /nfs/dbraw/zinc/03/62/93/173036293.db2.gz TVEVJMHEDBUNRN-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCCF)CC[C@H]21 ZINC000367158583 173036296 /nfs/dbraw/zinc/03/62/96/173036296.db2.gz TVEVJMHEDBUNRN-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCF)CC[C@H]21 ZINC000367158583 173036299 /nfs/dbraw/zinc/03/62/99/173036299.db2.gz TVEVJMHEDBUNRN-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[N@@H+](Cc1cccc(O)c1)C[C@H]1CCC[NH+](C)C1 ZINC000092253835 173041902 /nfs/dbraw/zinc/04/19/02/173041902.db2.gz UIFCLCPHBLAKNX-AWEZNQCLSA-N 2 1 248.370 2.166 20 0 BEADMP C[N@H+](Cc1cccc(O)c1)C[C@H]1CCC[NH+](C)C1 ZINC000092253835 173041903 /nfs/dbraw/zinc/04/19/03/173041903.db2.gz UIFCLCPHBLAKNX-AWEZNQCLSA-N 2 1 248.370 2.166 20 0 BEADMP C[NH+](Cc1cccc(O)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253835 173041908 /nfs/dbraw/zinc/04/19/08/173041908.db2.gz UIFCLCPHBLAKNX-AWEZNQCLSA-N 2 1 248.370 2.166 20 0 BEADMP C[NH+](Cc1cccc(O)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253835 173041910 /nfs/dbraw/zinc/04/19/10/173041910.db2.gz UIFCLCPHBLAKNX-AWEZNQCLSA-N 2 1 248.370 2.166 20 0 BEADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccco3)CC[C@H]21 ZINC000245717887 173059967 /nfs/dbraw/zinc/05/99/67/173059967.db2.gz DBDLLVZVCYAHMO-GXTWGEPZSA-N 2 1 234.343 2.196 20 0 BEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccco3)CC[C@H]21 ZINC000245717887 173059970 /nfs/dbraw/zinc/05/99/70/173059970.db2.gz DBDLLVZVCYAHMO-GXTWGEPZSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccco3)CC[C@H]21 ZINC000245717887 173059971 /nfs/dbraw/zinc/05/99/71/173059971.db2.gz DBDLLVZVCYAHMO-GXTWGEPZSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccco3)CC[C@H]21 ZINC000245717887 173059973 /nfs/dbraw/zinc/05/99/73/173059973.db2.gz DBDLLVZVCYAHMO-GXTWGEPZSA-N 2 1 234.343 2.196 20 0 BEADMP C[N@H+]1CC[C@@H](C[NH2+]C2CCCCCC2)C1 ZINC000037484614 173114743 /nfs/dbraw/zinc/11/47/43/173114743.db2.gz KEOTVXSNMQREOS-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@H]3CC=CCC3)[C@@H]2C1 ZINC000352929410 173132754 /nfs/dbraw/zinc/13/27/54/173132754.db2.gz GVPMIYGPRGPROQ-RRFJBIMHSA-N 2 1 234.387 2.369 20 0 BEADMP C[N@H+]1CC[C@@H]2CC[NH+](C[C@H]3CC=CCC3)[C@@H]2C1 ZINC000352929410 173132755 /nfs/dbraw/zinc/13/27/55/173132755.db2.gz GVPMIYGPRGPROQ-RRFJBIMHSA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1CC[C@@H]2CC[N@H+](C[C@H]3CC=CCC3)[C@@H]2C1 ZINC000352929410 173132757 /nfs/dbraw/zinc/13/27/57/173132757.db2.gz GVPMIYGPRGPROQ-RRFJBIMHSA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@H]3CC=CCC3)[C@@H]2C1 ZINC000352929410 173132759 /nfs/dbraw/zinc/13/27/59/173132759.db2.gz GVPMIYGPRGPROQ-RRFJBIMHSA-N 2 1 234.387 2.369 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCCCF)[C@H]2CCC[C@H]21 ZINC000336763903 173152152 /nfs/dbraw/zinc/15/21/52/173152152.db2.gz MQQDKERDGRPLFF-FRRDWIJNSA-N 2 1 228.355 2.199 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCC2CC2)[C@@H]2CCC[C@@H]21 ZINC000309436391 173153389 /nfs/dbraw/zinc/15/33/89/173153389.db2.gz HHYVFKQGGPIPQI-IHRRRGAJSA-N 2 1 222.376 2.249 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C)[C@@H]2CCC[C@H]21 ZINC000368600185 173153487 /nfs/dbraw/zinc/15/34/87/173153487.db2.gz AYLGWYYKZBCPIR-RWMBFGLXSA-N 2 1 224.392 2.495 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2F)[C@@H]2CCC[C@H]21 ZINC000340525611 173155069 /nfs/dbraw/zinc/15/50/69/173155069.db2.gz WVMNOXKPDVJCNZ-QSLWVIQJSA-N 2 1 240.366 2.339 20 0 BEADMP C[N@@H+]1CC[C@H]2CC[NH+](CCC(C)(C)C)[C@@H]2C1 ZINC000336625820 173159743 /nfs/dbraw/zinc/15/97/43/173159743.db2.gz FMJHCCSNMZPOIS-QWHCGFSZSA-N 2 1 224.392 2.449 20 0 BEADMP C[N@H+]1CC[C@H]2CC[NH+](CCC(C)(C)C)[C@@H]2C1 ZINC000336625820 173159745 /nfs/dbraw/zinc/15/97/45/173159745.db2.gz FMJHCCSNMZPOIS-QWHCGFSZSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+]1CC[C@H]2CC[N@H+](CCC(C)(C)C)[C@@H]2C1 ZINC000336625820 173159747 /nfs/dbraw/zinc/15/97/47/173159747.db2.gz FMJHCCSNMZPOIS-QWHCGFSZSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+]1CC[C@H]2CC[N@@H+](CCC(C)(C)C)[C@@H]2C1 ZINC000336625820 173159749 /nfs/dbraw/zinc/15/97/49/173159749.db2.gz FMJHCCSNMZPOIS-QWHCGFSZSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C[C@@H](C)CC(C)C ZINC000300853046 173345783 /nfs/dbraw/zinc/34/57/83/173345783.db2.gz FOFNWCRBMMIDRO-LBPRGKRZSA-N 2 1 200.370 2.210 20 0 BEADMP C[NH2+]CCC[N@H+](C)C/C=C\c1ccccc1 ZINC000211429413 173345818 /nfs/dbraw/zinc/34/58/18/173345818.db2.gz OZQGUDGGSDRWPT-POHAHGRESA-N 2 1 218.344 2.241 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C/C=C\c1ccccc1 ZINC000211429413 173345820 /nfs/dbraw/zinc/34/58/20/173345820.db2.gz OZQGUDGGSDRWPT-POHAHGRESA-N 2 1 218.344 2.241 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1ccccc1C ZINC000042436100 173346070 /nfs/dbraw/zinc/34/60/70/173346070.db2.gz DJSRXHZNBXMGHS-UHFFFAOYSA-N 2 1 206.333 2.036 20 0 BEADMP C[NH2+]CCC[N@H+](C)Cc1cc2ccccc2o1 ZINC000124728167 173346317 /nfs/dbraw/zinc/34/63/17/173346317.db2.gz DRWWBCMTWYGSRY-UHFFFAOYSA-N 2 1 232.327 2.474 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1cc2ccccc2o1 ZINC000124728167 173346318 /nfs/dbraw/zinc/34/63/18/173346318.db2.gz DRWWBCMTWYGSRY-UHFFFAOYSA-N 2 1 232.327 2.474 20 0 BEADMP C[NH2+]CCC[N@H+](C)Cc1cccc(Cl)c1 ZINC000042437345 173346483 /nfs/dbraw/zinc/34/64/83/173346483.db2.gz OFOYRNIIMVPAHX-UHFFFAOYSA-N 2 1 226.751 2.381 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1cccc(Cl)c1 ZINC000042437345 173346485 /nfs/dbraw/zinc/34/64/85/173346485.db2.gz OFOYRNIIMVPAHX-UHFFFAOYSA-N 2 1 226.751 2.381 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC000011888680 173367875 /nfs/dbraw/zinc/36/78/75/173367875.db2.gz LBLODXXLWBXUAJ-HNNXBMFYSA-N 2 1 232.371 2.426 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H](C)c1ccccc1 ZINC000227724005 173369004 /nfs/dbraw/zinc/36/90/04/173369004.db2.gz FNKILNQUMLSMIB-HIFRSBDPSA-N 2 1 232.371 2.474 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H](C)c1ccccc1 ZINC000227724005 173369005 /nfs/dbraw/zinc/36/90/05/173369005.db2.gz FNKILNQUMLSMIB-HIFRSBDPSA-N 2 1 232.371 2.474 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC000071142603 173370758 /nfs/dbraw/zinc/37/07/58/173370758.db2.gz DCBCIJYYKVBDQH-AWEZNQCLSA-N 2 1 232.371 2.345 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000226628833 173370820 /nfs/dbraw/zinc/37/08/20/173370820.db2.gz LZWHOWKJRAMZKN-STQMWFEESA-N 2 1 218.344 2.289 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000070499615 173371261 /nfs/dbraw/zinc/37/12/61/173371261.db2.gz JXEKONALGQNRPW-AWEZNQCLSA-N 2 1 244.382 2.217 20 0 BEADMP CNC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000039781771 173379943 /nfs/dbraw/zinc/37/99/43/173379943.db2.gz JYQDHDGLUNZDFP-CYBMUJFWSA-N 2 1 210.365 2.251 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCCc1ccccc1 ZINC000019933380 173380026 /nfs/dbraw/zinc/38/00/26/173380026.db2.gz ODHLWWDBQSRVOF-OAHLLOKOSA-N 2 1 232.371 2.303 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+]1CCCc1ccccc1 ZINC000019933380 173380027 /nfs/dbraw/zinc/38/00/27/173380027.db2.gz ODHLWWDBQSRVOF-OAHLLOKOSA-N 2 1 232.371 2.303 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC000071142600 173381303 /nfs/dbraw/zinc/38/13/03/173381303.db2.gz DCBCIJYYKVBDQH-CQSZACIVSA-N 2 1 232.371 2.345 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(F)cc2C)C1 ZINC000071142513 173381700 /nfs/dbraw/zinc/38/17/00/173381700.db2.gz HMMZHLKLDHANAP-GFCCVEGCSA-N 2 1 236.334 2.175 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(F)cc2C)C1 ZINC000071142513 173381702 /nfs/dbraw/zinc/38/17/02/173381702.db2.gz HMMZHLKLDHANAP-GFCCVEGCSA-N 2 1 236.334 2.175 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000071141897 173381928 /nfs/dbraw/zinc/38/19/28/173381928.db2.gz SSYYRUZYGDJCRT-CHWSQXEVSA-N 2 1 248.370 2.298 20 0 BEADMP CCC1(CC)CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000087254652 487627132 /nfs/dbraw/zinc/62/71/32/487627132.db2.gz ZCWLKDLBLOQKIV-GFCCVEGCSA-N 2 1 210.365 2.108 20 0 BEADMP COCC[C@@H]([NH2+]C1CC[NH+](C)CC1)C(C)(C)C ZINC000338022540 174394220 /nfs/dbraw/zinc/39/42/20/174394220.db2.gz VJWLGEMTXVLHAK-CYBMUJFWSA-N 2 1 242.407 2.121 20 0 BEADMP COc1ccc(C)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094342053 175074856 /nfs/dbraw/zinc/07/48/56/175074856.db2.gz BXQAKALPYWFWCZ-TZMCWYRMSA-N 2 1 248.370 2.173 20 0 BEADMP COc1ccc(C)cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094342053 175074858 /nfs/dbraw/zinc/07/48/58/175074858.db2.gz BXQAKALPYWFWCZ-TZMCWYRMSA-N 2 1 248.370 2.173 20 0 BEADMP COc1ccc(C)cc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000036300721 175075010 /nfs/dbraw/zinc/07/50/10/175075010.db2.gz CWZDRUYXYFOUAX-UHFFFAOYSA-N 2 1 248.370 2.187 20 0 BEADMP COc1ccc(C)cc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000036300721 175075014 /nfs/dbraw/zinc/07/50/14/175075014.db2.gz CWZDRUYXYFOUAX-UHFFFAOYSA-N 2 1 248.370 2.187 20 0 BEADMP COc1ccc(C)cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227073622 175075530 /nfs/dbraw/zinc/07/55/30/175075530.db2.gz BXQAKALPYWFWCZ-JSGCOSHPSA-N 2 1 248.370 2.173 20 0 BEADMP COc1ccc(C)cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227073622 175075533 /nfs/dbraw/zinc/07/55/33/175075533.db2.gz BXQAKALPYWFWCZ-JSGCOSHPSA-N 2 1 248.370 2.173 20 0 BEADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000107954023 175099482 /nfs/dbraw/zinc/09/94/82/175099482.db2.gz LMXRJYXRGGDZGW-JSGCOSHPSA-N 2 1 248.370 2.254 20 0 BEADMP COc1cccc(CCC[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000019933301 175251634 /nfs/dbraw/zinc/25/16/34/175251634.db2.gz SSQIRDGUBVZTBC-CQSZACIVSA-N 2 1 248.370 2.051 20 0 BEADMP COc1cccc(CCC[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000019933301 175251635 /nfs/dbraw/zinc/25/16/35/175251635.db2.gz SSQIRDGUBVZTBC-CQSZACIVSA-N 2 1 248.370 2.051 20 0 BEADMP COc1cccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c1 ZINC000042442302 175255481 /nfs/dbraw/zinc/25/54/81/175255481.db2.gz MCPOTEUIACVSOT-AWEZNQCLSA-N 2 1 248.370 2.127 20 0 BEADMP COc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000075777999 175257296 /nfs/dbraw/zinc/25/72/96/175257296.db2.gz FDQVTMVPDHIXLQ-CQSZACIVSA-N 2 1 248.370 2.399 20 0 BEADMP COc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000090720203 175268085 /nfs/dbraw/zinc/26/80/85/175268085.db2.gz CDCILXJLVUVTOC-OCCSQVGLSA-N 2 1 248.370 2.268 20 0 BEADMP COc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000105480729 175268382 /nfs/dbraw/zinc/26/83/82/175268382.db2.gz ZGYKOAUGHLRSPA-WFASDCNBSA-N 2 1 248.370 2.125 20 0 BEADMP COc1cccc([C@@H](C)[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000044527654 175286713 /nfs/dbraw/zinc/28/67/13/175286713.db2.gz RRFGCTKXUIJSCM-CHWSQXEVSA-N 2 1 248.370 2.427 20 0 BEADMP COc1ccccc1CCC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000019933298 175322892 /nfs/dbraw/zinc/32/28/92/175322892.db2.gz FQPAVJBZSGERGG-AWEZNQCLSA-N 2 1 248.370 2.051 20 0 BEADMP COc1ccccc1CCC[N@H+]1CCC[C@H]1C[NH3+] ZINC000019933298 175322894 /nfs/dbraw/zinc/32/28/94/175322894.db2.gz FQPAVJBZSGERGG-AWEZNQCLSA-N 2 1 248.370 2.051 20 0 BEADMP COc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000049708125 175327315 /nfs/dbraw/zinc/32/73/15/175327315.db2.gz OTRVHPZESPHBNN-WCQYABFASA-N 2 1 234.343 2.007 20 0 BEADMP COc1ccccc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000049708125 175327317 /nfs/dbraw/zinc/32/73/17/175327317.db2.gz OTRVHPZESPHBNN-WCQYABFASA-N 2 1 234.343 2.007 20 0 BEADMP COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000132004986 175345339 /nfs/dbraw/zinc/34/53/39/175345339.db2.gz ALKKSQUCKUJSKD-OLZOCXBDSA-N 2 1 248.370 2.345 20 0 BEADMP COc1ccccc1[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000038040631 175350789 /nfs/dbraw/zinc/35/07/89/175350789.db2.gz QVSCOFRSJRMTTI-NSHDSACASA-N 2 1 234.343 2.098 20 0 BEADMP COc1ccsc1[C@H](C)[NH2+]CCC[NH+](C)C ZINC000186075737 175380227 /nfs/dbraw/zinc/38/02/27/175380227.db2.gz RBKGEMWVULZTJR-JTQLQIEISA-N 2 1 242.388 2.359 20 0 BEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCSC1 ZINC000019912919 176071831 /nfs/dbraw/zinc/07/18/31/176071831.db2.gz SMJFOKQZKVIBGJ-CHWSQXEVSA-N 2 1 242.432 2.346 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000346158790 176076704 /nfs/dbraw/zinc/07/67/04/176076704.db2.gz AJRHWVIPXWLCCF-APIJFGDWSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043327662 176085806 /nfs/dbraw/zinc/08/58/06/176085806.db2.gz QBNWHYTVCMRRRZ-FRRDWIJNSA-N 2 1 210.365 2.154 20 0 BEADMP C[C@@H]1CCCC[C@H]1[N@@H+](C)CC1CC[NH2+]CC1 ZINC000042610999 176086723 /nfs/dbraw/zinc/08/67/23/176086723.db2.gz JBVPRWCQBUWEBS-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000124630914 176097722 /nfs/dbraw/zinc/09/77/22/176097722.db2.gz CEFHIKARRVAVCP-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000124630914 176097723 /nfs/dbraw/zinc/09/77/23/176097723.db2.gz CEFHIKARRVAVCP-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000124630914 176097724 /nfs/dbraw/zinc/09/77/24/176097724.db2.gz CEFHIKARRVAVCP-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H]1C ZINC000050564934 176100437 /nfs/dbraw/zinc/10/04/37/176100437.db2.gz HUHIKYFQIDCGHS-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CCC[C@@H]([N@@H+](C)C[C@H]2CCC[NH2+]C2)C1 ZINC000251779854 176120703 /nfs/dbraw/zinc/12/07/03/176120703.db2.gz LCBANQWDZGQMCW-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CC[N@H+](CCCCCF)[C@@H](C[NH3+])C1 ZINC000336672707 176167959 /nfs/dbraw/zinc/16/79/59/176167959.db2.gz GKQMIMNFQNLYTN-VXGBXAGGSA-N 2 1 216.344 2.185 20 0 BEADMP C[C@@H]1CC[N@@H+](CCCCCF)[C@@H](C[NH3+])C1 ZINC000336672707 176167960 /nfs/dbraw/zinc/16/79/60/176167960.db2.gz GKQMIMNFQNLYTN-VXGBXAGGSA-N 2 1 216.344 2.185 20 0 BEADMP C[C@@H]1CC[N@H+](CC[NH2+]C(C)(C)C)C[C@@H]1C ZINC000135197907 176170379 /nfs/dbraw/zinc/17/03/79/176170379.db2.gz PDQRTUXZLVQQRN-NEPJUHHUSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]1CC[N@@H+](CC[NH2+]C(C)(C)C)C[C@@H]1C ZINC000135197907 176170381 /nfs/dbraw/zinc/17/03/81/176170381.db2.gz PDQRTUXZLVQQRN-NEPJUHHUSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000309829091 176218072 /nfs/dbraw/zinc/21/80/72/176218072.db2.gz YBQKDAGYLWXZHS-RGDJUOJXSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC000336236004 176268621 /nfs/dbraw/zinc/26/86/21/176268621.db2.gz GIPIORSPFUVUOC-OCCSQVGLSA-N 2 1 222.376 2.417 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000302212514 176270376 /nfs/dbraw/zinc/27/03/76/176270376.db2.gz XWTJNLFAVVKOJY-IJLUTSLNSA-N 2 1 246.345 2.352 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)C(F)(F)F ZINC000309727264 176271572 /nfs/dbraw/zinc/27/15/72/176271572.db2.gz DKHHLQPHBFDWTM-OPRDCNLKSA-N 2 1 238.297 2.115 20 0 BEADMP C[C@@H]1C[N@@H+](CCCC(C)(C)C)CC[C@@H]1[NH3+] ZINC000300835338 176287397 /nfs/dbraw/zinc/28/73/97/176287397.db2.gz INTNPPMNVQNEMS-NEPJUHHUSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1F ZINC000340525353 176278604 /nfs/dbraw/zinc/27/86/04/176278604.db2.gz GWPMVDISSALGBP-BNDIWNMDSA-N 2 1 228.355 2.195 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1F ZINC000340525353 176278606 /nfs/dbraw/zinc/27/86/06/176278606.db2.gz GWPMVDISSALGBP-BNDIWNMDSA-N 2 1 228.355 2.195 20 0 BEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccoc1 ZINC000132524962 176279424 /nfs/dbraw/zinc/27/94/24/176279424.db2.gz ZBJOBOHHUOZYFZ-WZRBSPASSA-N 2 1 222.332 2.098 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccoc1 ZINC000132524962 176279425 /nfs/dbraw/zinc/27/94/25/176279425.db2.gz ZBJOBOHHUOZYFZ-WZRBSPASSA-N 2 1 222.332 2.098 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@@H]1[NH3+] ZINC000235356269 176286637 /nfs/dbraw/zinc/28/66/37/176286637.db2.gz ZVRBWVXUAJALGW-YPMHNXCESA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)[C@@H]1C ZINC000339583049 176289351 /nfs/dbraw/zinc/28/93/51/176289351.db2.gz RDMCLDLQNBUMSV-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)[C@@H]1C ZINC000339583049 176289353 /nfs/dbraw/zinc/28/93/53/176289353.db2.gz RDMCLDLQNBUMSV-CHWSQXEVSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1C[N@H+](CCCCOc2ccccc2)C[C@H]1[NH3+] ZINC000340680279 176289636 /nfs/dbraw/zinc/28/96/36/176289636.db2.gz PAAWNJFCOBLONS-UKRRQHHQSA-N 2 1 248.370 2.125 20 0 BEADMP C[C@@H]1C[N@@H+](CCCCOc2ccccc2)C[C@H]1[NH3+] ZINC000340680279 176289638 /nfs/dbraw/zinc/28/96/38/176289638.db2.gz PAAWNJFCOBLONS-UKRRQHHQSA-N 2 1 248.370 2.125 20 0 BEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000310290932 176327800 /nfs/dbraw/zinc/32/78/00/176327800.db2.gz ROEWUUKWAPZMCI-RNCFNFMXSA-N 2 1 240.297 2.052 20 0 BEADMP C[C@@H]1C[C@@H](C)C[NH+](CC[NH2+]C(C)(C)C)C1 ZINC000042409271 176361192 /nfs/dbraw/zinc/36/11/92/176361192.db2.gz BOJMVKUALVESOO-VXGBXAGGSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC1CCCC1 ZINC000049713045 176370731 /nfs/dbraw/zinc/37/07/31/176370731.db2.gz OCGLWQCRBLRXMP-YPMHNXCESA-N 2 1 210.365 2.378 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCC2(C)CC2)CC[N@H+]1C ZINC000336760057 176374852 /nfs/dbraw/zinc/37/48/52/176374852.db2.gz LYHRGWAZWWKIHI-NEPJUHHUSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCc2cccs2)CC[N@H+]1C ZINC000129659064 176376053 /nfs/dbraw/zinc/37/60/53/176376053.db2.gz YHDATGJFMAUXTB-NEPJUHHUSA-N 2 1 238.400 2.363 20 0 BEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(F)(F)F ZINC000336725141 176376082 /nfs/dbraw/zinc/37/60/82/176376082.db2.gz BJZPSSJNMXEZCB-BBBLOLIVSA-N 2 1 238.297 2.257 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2)CC[N@H+]1C ZINC000129596578 176376234 /nfs/dbraw/zinc/37/62/34/176376234.db2.gz PFOBTMUVZQNKRG-HIFRSBDPSA-N 2 1 232.371 2.301 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)CC[N@H+]1C ZINC000073655699 176377466 /nfs/dbraw/zinc/37/74/66/176377466.db2.gz KZTLAVPYGULHBC-OCCSQVGLSA-N 2 1 218.344 2.259 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)CC[N@@H+]1C ZINC000125701668 176379515 /nfs/dbraw/zinc/37/95/15/176379515.db2.gz IJHWSPOPFGSWOU-FRRDWIJNSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)CC[N@H+]1C ZINC000125701668 176379517 /nfs/dbraw/zinc/37/95/17/176379517.db2.gz IJHWSPOPFGSWOU-FRRDWIJNSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000309749229 176397636 /nfs/dbraw/zinc/39/76/36/176397636.db2.gz GIPCXYYVVOOYIX-JHJVBQTASA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000309749229 176397637 /nfs/dbraw/zinc/39/76/37/176397637.db2.gz GIPCXYYVVOOYIX-JHJVBQTASA-N 2 1 222.376 2.249 20 0 BEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccs1 ZINC000020148194 176830926 /nfs/dbraw/zinc/83/09/26/176830926.db2.gz VLPYSXDXDSXJEM-JTQLQIEISA-N 2 1 224.373 2.493 20 0 BEADMP C[C@H](c1cccc(F)c1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000108278763 177036256 /nfs/dbraw/zinc/03/62/56/177036256.db2.gz JZLMABQRXXQCLW-RTXFEEFZSA-N 2 1 234.318 2.038 20 0 BEADMP C[C@H](c1cccc(F)c1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000108278763 177036257 /nfs/dbraw/zinc/03/62/57/177036257.db2.gz JZLMABQRXXQCLW-RTXFEEFZSA-N 2 1 234.318 2.038 20 0 BEADMP C[C@H](c1ccccn1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000095068225 177042234 /nfs/dbraw/zinc/04/22/34/177042234.db2.gz AEVYYNQGMOLKNQ-CHWSQXEVSA-N 2 1 233.359 2.074 20 0 BEADMP C[C@H](c1ccccn1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000095068225 177042236 /nfs/dbraw/zinc/04/22/36/177042236.db2.gz AEVYYNQGMOLKNQ-CHWSQXEVSA-N 2 1 233.359 2.074 20 0 BEADMP C[C@H](c1cccnc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000358458795 177046566 /nfs/dbraw/zinc/04/65/66/177046566.db2.gz UGQNOYURJQJTRH-CHWSQXEVSA-N 2 1 233.359 2.026 20 0 BEADMP C[C@H](c1cccnc1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000358458795 177046568 /nfs/dbraw/zinc/04/65/68/177046568.db2.gz UGQNOYURJQJTRH-CHWSQXEVSA-N 2 1 233.359 2.026 20 0 BEADMP C[C@H](c1cccnc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292100766 177046582 /nfs/dbraw/zinc/04/65/82/177046582.db2.gz HWHQCNQDJRWPIZ-UKRRQHHQSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@H](c1cccnc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292100766 177046584 /nfs/dbraw/zinc/04/65/84/177046584.db2.gz HWHQCNQDJRWPIZ-UKRRQHHQSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@H](c1cccnc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292100766 177046586 /nfs/dbraw/zinc/04/65/86/177046586.db2.gz HWHQCNQDJRWPIZ-UKRRQHHQSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@H](c1cccnc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292100766 177046587 /nfs/dbraw/zinc/04/65/87/177046587.db2.gz HWHQCNQDJRWPIZ-UKRRQHHQSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccn(C)c1 ZINC000091007084 177075324 /nfs/dbraw/zinc/07/53/24/177075324.db2.gz BJHJTBSOCFXTQP-AWEZNQCLSA-N 2 1 249.402 2.379 20 0 BEADMP C[C@@H]1[C@@H](C)CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000050565083 177098213 /nfs/dbraw/zinc/09/82/13/177098213.db2.gz YRTHNYBSOKWNCL-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000050952292 177098404 /nfs/dbraw/zinc/09/84/04/177098404.db2.gz KAAOQSAMUUHDIY-ZDUSSCGKSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]1[C@@H](C)CCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000050564283 177098675 /nfs/dbraw/zinc/09/86/75/177098675.db2.gz FRONUNUWBYTUGP-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1[C@@H](C)CCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000050564283 177098677 /nfs/dbraw/zinc/09/86/77/177098677.db2.gz FRONUNUWBYTUGP-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000019507011 177117835 /nfs/dbraw/zinc/11/78/35/177117835.db2.gz YTQFOZSUKFBQCQ-FRRDWIJNSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1CC[N@@H+](CCCCCF)C[C@@H]1C[NH3+] ZINC000336695472 177160968 /nfs/dbraw/zinc/16/09/68/177160968.db2.gz NWIANVCSFZTACX-RYUDHWBXSA-N 2 1 216.344 2.043 20 0 BEADMP C[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000163392463 177164129 /nfs/dbraw/zinc/16/41/29/177164129.db2.gz FEBDUFSVLGLESC-AAEUAGOBSA-N 2 1 236.334 2.242 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000309105910 177204741 /nfs/dbraw/zinc/20/47/41/177204741.db2.gz HWKXDEILZBQEHM-AAEUAGOBSA-N 2 1 208.349 2.027 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CCCCC1 ZINC000252710419 177233596 /nfs/dbraw/zinc/23/35/96/177233596.db2.gz GPLNZMMVGDJOCD-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000309050388 177239189 /nfs/dbraw/zinc/23/91/89/177239189.db2.gz PIVVJSVBOPVVLH-RXGFPQBGSA-N 2 1 210.365 2.103 20 0 BEADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)C(C)(C)C1 ZINC000336538744 177247087 /nfs/dbraw/zinc/24/70/87/177247087.db2.gz MAXCZRNLHWNUIO-GFCCVEGCSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1C[N@H+](CCC[NH+]2CCCCC2)[C@H]1C ZINC000339583053 177249708 /nfs/dbraw/zinc/24/97/08/177249708.db2.gz RDMCLDLQNBUMSV-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)[C@H]1C ZINC000339583053 177249709 /nfs/dbraw/zinc/24/97/09/177249709.db2.gz RDMCLDLQNBUMSV-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)C(C)(C)C1 ZINC000335631441 177253851 /nfs/dbraw/zinc/25/38/51/177253851.db2.gz PBPAGEFQEGDBPY-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1C[N@@H+](CCc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000049708187 177254870 /nfs/dbraw/zinc/25/48/70/177254870.db2.gz LKJRAQRTOSXBCU-FZMZJTMJSA-N 2 1 236.334 2.037 20 0 BEADMP C[C@H](Cc1ccccc1)C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000340693028 177257188 /nfs/dbraw/zinc/25/71/88/177257188.db2.gz WXKOYBGDRLIFOZ-VNHYZAJKSA-N 2 1 232.371 2.144 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000042409269 177313066 /nfs/dbraw/zinc/31/30/66/177313066.db2.gz BOJMVKUALVESOO-TXEJJXNPSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000042409269 177313067 /nfs/dbraw/zinc/31/30/67/177313067.db2.gz BOJMVKUALVESOO-TXEJJXNPSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000131482914 177324879 /nfs/dbraw/zinc/32/48/79/177324879.db2.gz LJILVTIAJYBSFR-ONGXEEELSA-N 2 1 240.297 2.134 20 0 BEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)c(F)c1 ZINC000131482914 177324880 /nfs/dbraw/zinc/32/48/80/177324880.db2.gz LJILVTIAJYBSFR-ONGXEEELSA-N 2 1 240.297 2.134 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(F)cc1 ZINC000049709456 177327941 /nfs/dbraw/zinc/32/79/41/177327941.db2.gz RVFKYRHUJKJHFY-GWCFXTLKSA-N 2 1 222.307 2.137 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(F)cc1 ZINC000049709456 177327943 /nfs/dbraw/zinc/32/79/43/177327943.db2.gz RVFKYRHUJKJHFY-GWCFXTLKSA-N 2 1 222.307 2.137 20 0 BEADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000300244542 177332677 /nfs/dbraw/zinc/33/26/77/177332677.db2.gz YBPNIFVWULNFES-RQJABVFESA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccoc1 ZINC000132525576 177333457 /nfs/dbraw/zinc/33/34/57/177333457.db2.gz ZBJOBOHHUOZYFZ-NTZNESFSSA-N 2 1 222.332 2.098 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccoc1 ZINC000132525576 177333459 /nfs/dbraw/zinc/33/34/59/177333459.db2.gz ZBJOBOHHUOZYFZ-NTZNESFSSA-N 2 1 222.332 2.098 20 0 BEADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000360933839 177333580 /nfs/dbraw/zinc/33/35/80/177333580.db2.gz WJJRVLVDCCSGMU-RFGFWPKPSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000360933839 177333581 /nfs/dbraw/zinc/33/35/81/177333581.db2.gz WJJRVLVDCCSGMU-RFGFWPKPSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@H]1C[C@H](C)C[NH+](CC[NH2+]C(C)(C)C)C1 ZINC000042409270 177359109 /nfs/dbraw/zinc/35/91/09/177359109.db2.gz BOJMVKUALVESOO-RYUDHWBXSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@H]1C[C@H](C[N@@H+](C)CC2CCCC2)CC[NH2+]1 ZINC000235723557 177361299 /nfs/dbraw/zinc/36/12/99/177361299.db2.gz XGJOYLGVOMIHRI-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1C[C@H](C[N@@H+](C)C2CCCC2)CC[NH2+]1 ZINC000235723388 177361319 /nfs/dbraw/zinc/36/13/19/177361319.db2.gz YVVAQYMKIRUPRE-NWDGAFQWSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)C ZINC000040492885 177369107 /nfs/dbraw/zinc/36/91/07/177369107.db2.gz ZERYNCXKMOEEKK-WOPDTQHZSA-N 2 1 212.381 2.351 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCCC1 ZINC000036907482 177369732 /nfs/dbraw/zinc/36/97/32/177369732.db2.gz DPAJTUCYATWMFY-MDZLAQPJSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000360933840 177372033 /nfs/dbraw/zinc/37/20/33/177372033.db2.gz WJJRVLVDCCSGMU-RQJABVFESA-N 2 1 240.391 2.016 20 0 BEADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000360933840 177372034 /nfs/dbraw/zinc/37/20/34/177372034.db2.gz WJJRVLVDCCSGMU-RQJABVFESA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]([N@@H+](C)C[C@@H]1CCC[NH2+]C1)C1(C)CC1 ZINC000226439200 487640090 /nfs/dbraw/zinc/64/00/90/487640090.db2.gz CURNQZUKQFPNCM-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000488352452 225383431 /nfs/dbraw/zinc/38/34/31/225383431.db2.gz NVTPFPNJCWPNTO-BPLDGKMQSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000488352452 225383433 /nfs/dbraw/zinc/38/34/33/225383433.db2.gz NVTPFPNJCWPNTO-BPLDGKMQSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000488352452 225383437 /nfs/dbraw/zinc/38/34/37/225383437.db2.gz NVTPFPNJCWPNTO-BPLDGKMQSA-N 2 1 236.403 2.306 20 0 BEADMP CC1CCC([NH2+]C[C@H]2CCCC[NH2+]2)CC1 ZINC000232802517 487657862 /nfs/dbraw/zinc/65/78/62/487657862.db2.gz XMIYQMDTPXGKOS-WXRRBKDZSA-N 2 1 210.365 2.297 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378793459 487669736 /nfs/dbraw/zinc/66/97/36/487669736.db2.gz OZAKLGRPFRRQMX-FQUUOJAGSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378793459 487669745 /nfs/dbraw/zinc/66/97/45/487669745.db2.gz OZAKLGRPFRRQMX-FQUUOJAGSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000145849225 487669783 /nfs/dbraw/zinc/66/97/83/487669783.db2.gz FZPAYWUOHYVFTL-UHFFFAOYSA-N 2 1 219.332 2.002 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378793460 487670121 /nfs/dbraw/zinc/67/01/21/487670121.db2.gz OZAKLGRPFRRQMX-IGQOVBAYSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378793460 487670126 /nfs/dbraw/zinc/67/01/26/487670126.db2.gz OZAKLGRPFRRQMX-IGQOVBAYSA-N 2 1 224.392 2.493 20 0 BEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C[NH3+] ZINC000307576060 229216480 /nfs/dbraw/zinc/21/64/80/229216480.db2.gz LWVSSRANZONVSB-UMVBOHGHSA-N 2 1 232.371 2.492 20 0 BEADMP CC[C@H](C)C[N@@H+](CC)C[C@H](O)C[NH+](C)C(C)C ZINC000383842530 487677596 /nfs/dbraw/zinc/67/75/96/487677596.db2.gz ZQXQYXCBICDIEI-UONOGXRCSA-N 2 1 244.423 2.056 20 0 BEADMP CC[C@H](C)C[NH+](CC)C[C@H](O)C[N@H+](C)C(C)C ZINC000383842530 487677601 /nfs/dbraw/zinc/67/76/01/487677601.db2.gz ZQXQYXCBICDIEI-UONOGXRCSA-N 2 1 244.423 2.056 20 0 BEADMP CC[C@H](C)C[NH+](CC)C[C@H](O)C[N@@H+](C)C(C)C ZINC000383842530 487677605 /nfs/dbraw/zinc/67/76/05/487677605.db2.gz ZQXQYXCBICDIEI-UONOGXRCSA-N 2 1 244.423 2.056 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH2+]C/C=C/Cl)[C@@H](C)C1 ZINC000898431936 584135368 /nfs/dbraw/zinc/13/53/68/584135368.db2.gz DHNLCGQRQTUBLP-LJRGRFNSSA-N 2 1 216.756 2.059 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C/C=C/Cl)[C@@H](C)C1 ZINC000898431936 584135371 /nfs/dbraw/zinc/13/53/71/584135371.db2.gz DHNLCGQRQTUBLP-LJRGRFNSSA-N 2 1 216.756 2.059 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000087792727 487686733 /nfs/dbraw/zinc/68/67/33/487686733.db2.gz YUTMPNUTEHAENN-STQMWFEESA-N 2 1 242.432 2.204 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)c2ccncc2)C1 ZINC000226332184 487712769 /nfs/dbraw/zinc/71/27/69/487712769.db2.gz MUUPRRMLDMJSTE-SGMGOOAPSA-N 2 1 233.359 2.202 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000226336189 487713759 /nfs/dbraw/zinc/71/37/59/487713759.db2.gz UQHBJLSLGSKABG-CYBMUJFWSA-N 2 1 242.407 2.264 20 0 BEADMP CCC[NH2+]CC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000228716206 487717970 /nfs/dbraw/zinc/71/79/70/487717970.db2.gz TYEGPPUMEICNFO-ZDUSSCGKSA-N 2 1 248.370 2.142 20 0 BEADMP c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)nc1 ZINC000250232865 487728010 /nfs/dbraw/zinc/72/80/10/487728010.db2.gz BSRRVURNVFKAFJ-UKRRQHHQSA-N 2 1 245.370 2.046 20 0 BEADMP c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)nc1 ZINC000250232865 487728015 /nfs/dbraw/zinc/72/80/15/487728015.db2.gz BSRRVURNVFKAFJ-UKRRQHHQSA-N 2 1 245.370 2.046 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)c1ccncc1 ZINC000251357689 487754742 /nfs/dbraw/zinc/75/47/42/487754742.db2.gz UQTGCGLPEDRPQH-OCCSQVGLSA-N 2 1 235.375 2.448 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CC1(F)F ZINC000666228485 487764431 /nfs/dbraw/zinc/76/44/31/487764431.db2.gz RSVNBEPZHANCJL-LMLFDSFASA-N 2 1 232.318 2.102 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CC1(F)F ZINC000666228485 487764436 /nfs/dbraw/zinc/76/44/36/487764436.db2.gz RSVNBEPZHANCJL-LMLFDSFASA-N 2 1 232.318 2.102 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000300669626 487788131 /nfs/dbraw/zinc/78/81/31/487788131.db2.gz RTTJOLKRWLCCJC-HZSPNIEDSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000300669626 487788137 /nfs/dbraw/zinc/78/81/37/487788137.db2.gz RTTJOLKRWLCCJC-HZSPNIEDSA-N 2 1 242.407 2.264 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679225306 487788741 /nfs/dbraw/zinc/78/87/41/487788741.db2.gz PQHJWECHVMBRNS-WCQYABFASA-N 2 1 239.338 2.262 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679225306 487788747 /nfs/dbraw/zinc/78/87/47/487788747.db2.gz PQHJWECHVMBRNS-WCQYABFASA-N 2 1 239.338 2.262 20 0 BEADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000309223604 487790647 /nfs/dbraw/zinc/79/06/47/487790647.db2.gz HEGQHFGVCGBVOZ-LLVKDONJSA-N 2 1 222.376 2.249 20 0 BEADMP CC[C@@H]1C[N@@H+](CCOc2ccccc2)CC[C@H]1[NH3+] ZINC000251788161 487799108 /nfs/dbraw/zinc/79/91/08/487799108.db2.gz NKLWUJXOMGINSY-UKRRQHHQSA-N 2 1 248.370 2.125 20 0 BEADMP Cc1ccsc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000227349374 487810099 /nfs/dbraw/zinc/81/00/99/487810099.db2.gz CUYFBTRQWPWLET-GHMZBOCLSA-N 2 1 224.373 2.368 20 0 BEADMP CCC[N@@H+](CCC[NH3+])CCc1cccs1 ZINC000414758920 487821133 /nfs/dbraw/zinc/82/11/33/487821133.db2.gz VQSMKVGNTXICDS-UHFFFAOYSA-N 2 1 226.389 2.351 20 0 BEADMP [NH3+]CCC[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000414750668 487821205 /nfs/dbraw/zinc/82/12/05/487821205.db2.gz YJVWECQVNZIKBV-SNVBAGLBSA-N 2 1 240.297 2.103 20 0 BEADMP [NH3+]CCC[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000414750668 487821208 /nfs/dbraw/zinc/82/12/08/487821208.db2.gz YJVWECQVNZIKBV-SNVBAGLBSA-N 2 1 240.297 2.103 20 0 BEADMP CCCC[C@@H](CC)CC[NH2+]CC[NH2+]C ZINC000414834199 487825657 /nfs/dbraw/zinc/82/56/57/487825657.db2.gz SXAIDYTTXSTFPQ-GFCCVEGCSA-N 2 1 200.370 2.402 20 0 BEADMP Cc1ccc(C[NH2+]CC2([NH3+])CCCCC2)cn1 ZINC000414843732 487826094 /nfs/dbraw/zinc/82/60/94/487826094.db2.gz OIDNJLTUNFFZHQ-UHFFFAOYSA-N 2 1 233.359 2.141 20 0 BEADMP CC[C@@H]1CCCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000252681290 487828632 /nfs/dbraw/zinc/82/86/32/487828632.db2.gz AAGIJTMNFJZHQX-QWHCGFSZSA-N 2 1 210.365 2.251 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000558258055 322948264 /nfs/dbraw/zinc/94/82/64/322948264.db2.gz OPXJLSIAMKPOIJ-STQMWFEESA-N 2 1 235.375 2.377 20 0 BEADMP CCC1CC([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000389941813 487847576 /nfs/dbraw/zinc/84/75/76/487847576.db2.gz OUWWFDBVOVSBEU-CPCZMJQVSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@H]1CCCC[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000309041664 631825115 /nfs/dbraw/zinc/82/51/15/631825115.db2.gz KIQSUULBFHPFJZ-ZJUUUORDSA-N 2 1 220.307 2.233 20 0 BEADMP CC[C@H]1CCCC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000309041664 631825128 /nfs/dbraw/zinc/82/51/28/631825128.db2.gz KIQSUULBFHPFJZ-ZJUUUORDSA-N 2 1 220.307 2.233 20 0 BEADMP C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666769915 487875375 /nfs/dbraw/zinc/87/53/75/487875375.db2.gz HFOCQKRTCWRMCN-VHSXEESVSA-N 2 1 238.297 2.449 20 0 BEADMP C[C@@H]1CC([NH2+]CCC[NH+]2CCC2)C[C@@H](C)C1 ZINC000569502112 322968233 /nfs/dbraw/zinc/96/82/33/322968233.db2.gz ISWBNEYJLNZIOK-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc2cnccc2c1 ZINC000666911660 487879072 /nfs/dbraw/zinc/87/90/72/487879072.db2.gz BQMVXCIKPHRBRU-CQSZACIVSA-N 2 1 229.327 2.062 20 0 BEADMP FC(F)[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000682029442 487880777 /nfs/dbraw/zinc/88/07/77/487880777.db2.gz OENUSFAKYXZJDV-GFCCVEGCSA-N 2 1 246.345 2.449 20 0 BEADMP FC(F)[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000682029442 487880782 /nfs/dbraw/zinc/88/07/82/487880782.db2.gz OENUSFAKYXZJDV-GFCCVEGCSA-N 2 1 246.345 2.449 20 0 BEADMP CC(C)C[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000082560736 643513120 /nfs/dbraw/zinc/51/31/20/643513120.db2.gz FJXSHXVXGWUGHI-OLZOCXBDSA-N 2 1 212.381 2.208 20 0 BEADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)C(C)(C)C ZINC000666861442 487893294 /nfs/dbraw/zinc/89/32/94/487893294.db2.gz ZDGUFAZGCXWFEA-UTUOFQBUSA-N 2 1 212.381 2.256 20 0 BEADMP C[C@@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)C(C)(C)C ZINC000666861440 487893084 /nfs/dbraw/zinc/89/30/84/487893084.db2.gz ZDGUFAZGCXWFEA-GRYCIOLGSA-N 2 1 212.381 2.256 20 0 BEADMP C[C@@H](Cc1cccs1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000235154944 487925553 /nfs/dbraw/zinc/92/55/53/487925553.db2.gz MJLYMVYXEOZMAS-WDEREUQCSA-N 2 1 224.373 2.021 20 0 BEADMP Cc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)cc[nH+]1 ZINC000229565606 487926596 /nfs/dbraw/zinc/92/65/96/487926596.db2.gz KTVLTKFJAKNMJO-GFCCVEGCSA-N 2 1 217.316 2.039 20 0 BEADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000157983257 487932057 /nfs/dbraw/zinc/93/20/57/487932057.db2.gz PZDUFOJIIZFIPY-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000157982996 487932089 /nfs/dbraw/zinc/93/20/89/487932089.db2.gz PZDUFOJIIZFIPY-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP FC1(F)C[C@@]12CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000652364480 487934233 /nfs/dbraw/zinc/93/42/33/487934233.db2.gz SQAYIKROTAFWTH-VXGBXAGGSA-N 2 1 244.329 2.107 20 0 BEADMP CC1=CCC[C@H](C)[C@H]1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000682404681 487947575 /nfs/dbraw/zinc/94/75/75/487947575.db2.gz HYVSTPZZCIFQRM-XQLPTFJDSA-N 2 1 234.387 2.130 20 0 BEADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(O)cc2)CC[NH+]1C ZINC000682405399 487948792 /nfs/dbraw/zinc/94/87/92/487948792.db2.gz VHUPHCYAPSHPHK-JSGCOSHPSA-N 2 1 248.370 2.307 20 0 BEADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(O)cc2)CC[NH+]1C ZINC000682405399 487948795 /nfs/dbraw/zinc/94/87/95/487948795.db2.gz VHUPHCYAPSHPHK-JSGCOSHPSA-N 2 1 248.370 2.307 20 0 BEADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(O)cc2)CC[N@@H+]1C ZINC000682405399 487948784 /nfs/dbraw/zinc/94/87/84/487948784.db2.gz VHUPHCYAPSHPHK-JSGCOSHPSA-N 2 1 248.370 2.307 20 0 BEADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(O)cc2)CC[N@H+]1C ZINC000682405399 487948788 /nfs/dbraw/zinc/94/87/88/487948788.db2.gz VHUPHCYAPSHPHK-JSGCOSHPSA-N 2 1 248.370 2.307 20 0 BEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CC1(C)CC1 ZINC000309577204 322963975 /nfs/dbraw/zinc/96/39/75/322963975.db2.gz PIAAYJVUMMTCLM-NSHDSACASA-N 2 1 221.348 2.217 20 0 BEADMP C[C@@H]([NH2+]CCCc1cccs1)[C@@H]1CCC[NH2+]1 ZINC000569566638 322970552 /nfs/dbraw/zinc/97/05/52/322970552.db2.gz FRVFUVSHFSAOIW-YPMHNXCESA-N 2 1 238.400 2.411 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)C1(C)CC1 ZINC000247056456 323012027 /nfs/dbraw/zinc/01/20/27/323012027.db2.gz PHXDHPWVIGYQRI-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)C1(C)CC1 ZINC000247056456 323012028 /nfs/dbraw/zinc/01/20/28/323012028.db2.gz PHXDHPWVIGYQRI-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)C2CC2)C1 ZINC000247401209 323013000 /nfs/dbraw/zinc/01/30/00/323013000.db2.gz XHSPPKIHNBZQIZ-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000562518992 323022745 /nfs/dbraw/zinc/02/27/45/323022745.db2.gz SXECNNROCKQDSX-IGQOVBAYSA-N 2 1 242.407 2.262 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000562518992 323022746 /nfs/dbraw/zinc/02/27/46/323022746.db2.gz SXECNNROCKQDSX-IGQOVBAYSA-N 2 1 242.407 2.262 20 0 BEADMP CCCOc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000562748359 323029716 /nfs/dbraw/zinc/02/97/16/323029716.db2.gz JKTBXEZATYBDCJ-NEPJUHHUSA-N 2 1 236.359 2.301 20 0 BEADMP CC[C@H](NCC[N@H+]1CC[C@@H](C)C1)c1ccncc1 ZINC000562779018 323030510 /nfs/dbraw/zinc/03/05/10/323030510.db2.gz UMUVTTJHUNFYPN-HIFRSBDPSA-N 2 1 247.386 2.464 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccoc1 ZINC000572630634 323039206 /nfs/dbraw/zinc/03/92/06/323039206.db2.gz GTRNROLZIQWTBS-CKYFFXLPSA-N 2 1 208.305 2.071 20 0 BEADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccoc1 ZINC000570709443 323068045 /nfs/dbraw/zinc/06/80/45/323068045.db2.gz ZNCVRULUJCPOGG-SRVKXCTJSA-N 2 1 222.332 2.318 20 0 BEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)CCOC ZINC000164882747 323077361 /nfs/dbraw/zinc/07/73/61/323077361.db2.gz BKOSNMUFXFKXFV-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)CCOC ZINC000164882747 323077362 /nfs/dbraw/zinc/07/73/62/323077362.db2.gz BKOSNMUFXFKXFV-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000397776071 323095637 /nfs/dbraw/zinc/09/56/37/323095637.db2.gz BDDPBPWMJLPKQE-WISYIIOYSA-N 2 1 228.405 2.001 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403531981 323097163 /nfs/dbraw/zinc/09/71/63/323097163.db2.gz OOCZUDJRMVYOSZ-UPJWGTAASA-N 2 1 222.376 2.106 20 0 BEADMP C[C@H]1CC([NH2+]CCc2c[nH+]cn2C)C[C@H](C)C1 ZINC000401813577 323127423 /nfs/dbraw/zinc/12/74/23/323127423.db2.gz VXNTXXFELJVLQF-VXGBXAGGSA-N 2 1 235.375 2.377 20 0 BEADMP Cc1cc(C[NH2+]CCC[NH+]2CCCCC2)ccn1 ZINC000235821249 323153337 /nfs/dbraw/zinc/15/33/37/323153337.db2.gz ZGVLPBWOXMWBEQ-UHFFFAOYSA-N 2 1 247.386 2.356 20 0 BEADMP CCCCC[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000541892865 323161992 /nfs/dbraw/zinc/16/19/92/323161992.db2.gz ODQDUIWEYJDMIC-GFCCVEGCSA-N 2 1 221.348 2.400 20 0 BEADMP Cc1nccn1CC[N@H+](C)Cc1cccc(O)c1 ZINC000535035017 323164085 /nfs/dbraw/zinc/16/40/85/323164085.db2.gz UGHACOHZEQAVQF-UHFFFAOYSA-N 2 1 245.326 2.029 20 0 BEADMP C[C@@H]([NH2+]CCc1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000400426708 323176365 /nfs/dbraw/zinc/17/63/65/323176365.db2.gz YYIIVCRBCOLDDS-RISCZKNCSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOC(C)(C)C ZINC000308722979 323177362 /nfs/dbraw/zinc/17/73/62/323177362.db2.gz FBDIXWRTDBIDFR-AGIUHOORSA-N 2 1 242.407 2.120 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(C2CC2)CC1 ZINC000308923526 323181805 /nfs/dbraw/zinc/18/18/05/323181805.db2.gz HOJSIGJOAXYSAI-GFCCVEGCSA-N 2 1 208.349 2.003 20 0 BEADMP CC1(C)CCC[C@H](C[N@@H+]2CC[C@@H]([NH3+])C2)C1 ZINC000309399071 323372772 /nfs/dbraw/zinc/37/27/72/323372772.db2.gz HDNIWVNUKKYEIR-NWDGAFQWSA-N 2 1 210.365 2.236 20 0 BEADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@@H]([NH3+])C2)C1 ZINC000309399071 323372776 /nfs/dbraw/zinc/37/27/76/323372776.db2.gz HDNIWVNUKKYEIR-NWDGAFQWSA-N 2 1 210.365 2.236 20 0 BEADMP CC(C)C[NH+]1CCC([NH2+]CC2(F)CC2)CC1 ZINC000309408347 323381504 /nfs/dbraw/zinc/38/15/04/323381504.db2.gz XNRRAGLXJKKXBS-UHFFFAOYSA-N 2 1 228.355 2.199 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000396727498 323656361 /nfs/dbraw/zinc/65/63/61/323656361.db2.gz WXXBJANRIDGYFV-FVCCEPFGSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)[C@@H]1CC12CC2 ZINC000527849561 323706166 /nfs/dbraw/zinc/70/61/66/323706166.db2.gz MDKDKANAURNFSC-WCFLWFBJSA-N 2 1 222.376 2.105 20 0 BEADMP CCCCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397339384 324211975 /nfs/dbraw/zinc/21/19/75/324211975.db2.gz VBHNJPVWBHBDFS-UPJWGTAASA-N 2 1 212.381 2.482 20 0 BEADMP CCCCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397339385 324212847 /nfs/dbraw/zinc/21/28/47/324212847.db2.gz VBHNJPVWBHBDFS-XQQFMLRXSA-N 2 1 212.381 2.482 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CCN(C/C=C(\C)Cl)C1 ZINC000528396506 324220374 /nfs/dbraw/zinc/22/03/74/324220374.db2.gz IEPCQZHTWCRWDB-JVOXIWMLSA-N 2 1 230.783 2.403 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CSC[C@H]2C)C1 ZINC000304365259 325146174 /nfs/dbraw/zinc/14/61/74/325146174.db2.gz FFYHAEMWNOEDRZ-AGIUHOORSA-N 2 1 242.432 2.058 20 0 BEADMP COCc1cccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000131440336 325151651 /nfs/dbraw/zinc/15/16/51/325151651.db2.gz VVEDYSANBGIZTE-DOMZBBRYSA-N 2 1 248.370 2.145 20 0 BEADMP COCc1cccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000131440156 325151695 /nfs/dbraw/zinc/15/16/95/325151695.db2.gz VVEDYSANBGIZTE-SWLSCSKDSA-N 2 1 248.370 2.145 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cncs1 ZINC000133405935 325293556 /nfs/dbraw/zinc/29/35/56/325293556.db2.gz GXHVWMLMFGHMSG-GHMZBOCLSA-N 2 1 239.388 2.136 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cncs1 ZINC000133405935 325293560 /nfs/dbraw/zinc/29/35/60/325293560.db2.gz GXHVWMLMFGHMSG-GHMZBOCLSA-N 2 1 239.388 2.136 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)C[C@@H]1CCSC1 ZINC000564324970 325372532 /nfs/dbraw/zinc/37/25/32/325372532.db2.gz KDNPWEMBWBRNTP-FRRDWIJNSA-N 2 1 242.432 2.012 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C[C@@H]1CCSC1 ZINC000564324970 325372534 /nfs/dbraw/zinc/37/25/34/325372534.db2.gz KDNPWEMBWBRNTP-FRRDWIJNSA-N 2 1 242.432 2.012 20 0 BEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)C[C@@H]1CCSC1 ZINC000564324970 325372535 /nfs/dbraw/zinc/37/25/35/325372535.db2.gz KDNPWEMBWBRNTP-FRRDWIJNSA-N 2 1 242.432 2.012 20 0 BEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C[C@@H]1CCSC1 ZINC000564324970 325372537 /nfs/dbraw/zinc/37/25/37/325372537.db2.gz KDNPWEMBWBRNTP-FRRDWIJNSA-N 2 1 242.432 2.012 20 0 BEADMP CC[C@H]([NH2+]CCc1ccc(C)nc1)[C@@H]1CCC[NH2+]1 ZINC000565886279 325969623 /nfs/dbraw/zinc/96/96/23/325969623.db2.gz JVIKUEJVDSPDCX-GJZGRUSLSA-N 2 1 247.386 2.053 20 0 BEADMP Cc1cccc2c1cc[nH+]c2NCC[C@H](C)[NH3+] ZINC000566235822 326020502 /nfs/dbraw/zinc/02/05/02/326020502.db2.gz WVZVBAAGEDEHBH-NSHDSACASA-N 2 1 229.327 2.114 20 0 BEADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)CC1(C)CC1 ZINC000566832784 326086130 /nfs/dbraw/zinc/08/61/30/326086130.db2.gz MQZSLNYWBXTCEB-LBPRGKRZSA-N 2 1 210.365 2.060 20 0 BEADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)CC1(C)CC1 ZINC000566832784 326086132 /nfs/dbraw/zinc/08/61/32/326086132.db2.gz MQZSLNYWBXTCEB-LBPRGKRZSA-N 2 1 210.365 2.060 20 0 BEADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)CC1(C)CC1 ZINC000566832784 326086135 /nfs/dbraw/zinc/08/61/35/326086135.db2.gz MQZSLNYWBXTCEB-LBPRGKRZSA-N 2 1 210.365 2.060 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCC(C)(C)C ZINC000566967813 326097256 /nfs/dbraw/zinc/09/72/56/326097256.db2.gz JWTVAPNIGDAXJB-VXGBXAGGSA-N 2 1 212.381 2.400 20 0 BEADMP CCC[N@@H+](CCc1cncn1C)C(C)C ZINC000567403095 326184051 /nfs/dbraw/zinc/18/40/51/326184051.db2.gz GVPXXTLMJUQNJY-UHFFFAOYSA-N 2 1 209.337 2.083 20 0 BEADMP CSC1(C[N@@H+](C)CCC[NH+](C)C)CCC1 ZINC000567408300 326185106 /nfs/dbraw/zinc/18/51/06/326185106.db2.gz GXWQHGDDCRWROP-UHFFFAOYSA-N 2 1 230.421 2.156 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C(C2CC2)C2CC2)CC[N@@H+]1C ZINC000156117314 326219439 /nfs/dbraw/zinc/21/94/39/326219439.db2.gz ARCGDFCDHIFVMB-GXFFZTMASA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C(C2CC2)C2CC2)CC[N@H+]1C ZINC000156117314 326219440 /nfs/dbraw/zinc/21/94/40/326219440.db2.gz ARCGDFCDHIFVMB-GXFFZTMASA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(F)c1F ZINC000568087471 326306409 /nfs/dbraw/zinc/30/64/09/326306409.db2.gz GTGGWXXUVXKIAH-DTWKUNHWSA-N 2 1 228.286 2.180 20 0 BEADMP CCCC[C@H](COC)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158198833 326311310 /nfs/dbraw/zinc/31/13/10/326311310.db2.gz WWMVQRXHQORWGW-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCC1(C)C ZINC000568182728 326322015 /nfs/dbraw/zinc/32/20/15/326322015.db2.gz ZOXVEXZVBDTGDJ-VXGBXAGGSA-N 2 1 210.365 2.249 20 0 BEADMP COc1cccc(C[C@H]2CCC[N@@H+]2C[C@@H](C)[NH3+])c1 ZINC000568749354 326374768 /nfs/dbraw/zinc/37/47/68/326374768.db2.gz VYVNQVNVZFXTRO-TZMCWYRMSA-N 2 1 248.370 2.049 20 0 BEADMP COc1cccc(C[C@H]2CCC[N@H+]2C[C@@H](C)[NH3+])c1 ZINC000568749354 326374769 /nfs/dbraw/zinc/37/47/69/326374769.db2.gz VYVNQVNVZFXTRO-TZMCWYRMSA-N 2 1 248.370 2.049 20 0 BEADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccncc1 ZINC000569078194 326389086 /nfs/dbraw/zinc/38/90/86/326389086.db2.gz UQAVPWXJDPRSKE-CQSZACIVSA-N 2 1 244.342 2.099 20 0 BEADMP CC[N@@H+]1CCN(c2ccncc2Cl)C[C@@H]1C ZINC000677152181 487984663 /nfs/dbraw/zinc/98/46/63/487984663.db2.gz JSOVTNQHMZVILT-JTQLQIEISA-N 2 1 239.750 2.265 20 0 BEADMP CCC[N@@H+](CC(C)C)C[C@@H](O)C[NH+](C)C(C)C ZINC000310437648 488023400 /nfs/dbraw/zinc/02/34/00/488023400.db2.gz UZBDBGQYMKXCLN-AWEZNQCLSA-N 2 1 244.423 2.056 20 0 BEADMP CCC[NH+](CC(C)C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000310437648 488023403 /nfs/dbraw/zinc/02/34/03/488023403.db2.gz UZBDBGQYMKXCLN-AWEZNQCLSA-N 2 1 244.423 2.056 20 0 BEADMP CCC[NH+](CC(C)C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000310437648 488023406 /nfs/dbraw/zinc/02/34/06/488023406.db2.gz UZBDBGQYMKXCLN-AWEZNQCLSA-N 2 1 244.423 2.056 20 0 BEADMP CC[C@H]1CCC[N@H+]1Cc1cnc(C)n1C ZINC000667544389 488041157 /nfs/dbraw/zinc/04/11/57/488041157.db2.gz FTSZUUMRMPONQD-NSHDSACASA-N 2 1 207.321 2.103 20 0 BEADMP c1nc2n(c1C[N@H+]1CCC3(CCC3)C1)CCC2 ZINC000667644653 488067814 /nfs/dbraw/zinc/06/78/14/488067814.db2.gz QODXHFFANFFXLG-UHFFFAOYSA-N 2 1 231.343 2.205 20 0 BEADMP C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cnc2n1CCC2 ZINC000667650033 488072766 /nfs/dbraw/zinc/07/27/66/488072766.db2.gz KCMXAFSYWUAFBH-NWDGAFQWSA-N 2 1 233.359 2.450 20 0 BEADMP C[C@H]1CC[C@H](C)[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000667650034 488073356 /nfs/dbraw/zinc/07/33/56/488073356.db2.gz KCMXAFSYWUAFBH-RYUDHWBXSA-N 2 1 233.359 2.450 20 0 BEADMP CC[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000166328034 488074765 /nfs/dbraw/zinc/07/47/65/488074765.db2.gz OVIWBDNQTBPXQW-ZDUSSCGKSA-N 2 1 224.392 2.498 20 0 BEADMP Cc1cc[nH+]c(N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000257655136 488077062 /nfs/dbraw/zinc/07/70/62/488077062.db2.gz PHDBQNQYVLYBBK-MNOVXSKESA-N 2 1 205.305 2.072 20 0 BEADMP C[C@H](c1ccncc1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257687935 488081570 /nfs/dbraw/zinc/08/15/70/488081570.db2.gz IMCQKJDRNOILEF-HIFRSBDPSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@H](c1ccncc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257687935 488081577 /nfs/dbraw/zinc/08/15/77/488081577.db2.gz IMCQKJDRNOILEF-HIFRSBDPSA-N 2 1 245.370 2.218 20 0 BEADMP Fc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000257698976 488082616 /nfs/dbraw/zinc/08/26/16/488082616.db2.gz PMZZNVIHOYTJOT-HNNXBMFYSA-N 2 1 248.345 2.401 20 0 BEADMP Fc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000257698976 488082618 /nfs/dbraw/zinc/08/26/18/488082618.db2.gz PMZZNVIHOYTJOT-HNNXBMFYSA-N 2 1 248.345 2.401 20 0 BEADMP Cc1ccnc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000683010617 488090804 /nfs/dbraw/zinc/09/08/04/488090804.db2.gz CIFDNNGOQCENOW-UKRRQHHQSA-N 2 1 247.386 2.305 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2CCSCC2)C1 ZINC000229214716 488100245 /nfs/dbraw/zinc/10/02/45/488100245.db2.gz ZTUZUEPMCROEFI-ZDUSSCGKSA-N 2 1 242.432 2.061 20 0 BEADMP CCn1ccc(C[N@H+](C)CCn2cc[nH+]c2C)c1 ZINC000683028803 488100535 /nfs/dbraw/zinc/10/05/35/488100535.db2.gz ABYLUTVQWBFJOT-UHFFFAOYSA-N 2 1 246.358 2.145 20 0 BEADMP CCn1ccc(C[N@@H+](C)CCn2cc[nH+]c2C)c1 ZINC000683028803 488100542 /nfs/dbraw/zinc/10/05/42/488100542.db2.gz ABYLUTVQWBFJOT-UHFFFAOYSA-N 2 1 246.358 2.145 20 0 BEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccoc2C)[C@@H](C)C1 ZINC000675780438 488120924 /nfs/dbraw/zinc/12/09/24/488120924.db2.gz YJCKWQVZDWVTPD-SMDDNHRTSA-N 2 1 236.359 2.408 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccoc2C)[C@@H](C)C1 ZINC000675780438 488120926 /nfs/dbraw/zinc/12/09/26/488120926.db2.gz YJCKWQVZDWVTPD-SMDDNHRTSA-N 2 1 236.359 2.408 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667796578 488123668 /nfs/dbraw/zinc/12/36/68/488123668.db2.gz PJECVSPMODDHMB-LJISPDSOSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403587553 488127273 /nfs/dbraw/zinc/12/72/73/488127273.db2.gz DEYRIVUXDOZATR-KSTCHIGDSA-N 2 1 222.376 2.092 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000403587561 488127438 /nfs/dbraw/zinc/12/74/38/488127438.db2.gz DFLNRESMCIUZQB-KBXIAJHMSA-N 2 1 234.387 2.108 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C[C@H]21 ZINC000403697582 488132615 /nfs/dbraw/zinc/13/26/15/488132615.db2.gz BMFJUTMJHJCEHR-YTQIUSBHSA-N 2 1 248.414 2.482 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC23CCC3)CC1 ZINC000721159603 974930964 /nfs/dbraw/zinc/93/09/64/974930964.db2.gz CVSMYIDIYPVLJN-RYUDHWBXSA-N 2 1 208.349 2.003 20 0 BEADMP CC[N@@H+](CCC(F)(F)F)CC1CC[NH2+]CC1 ZINC000086703159 487532888 /nfs/dbraw/zinc/53/28/88/487532888.db2.gz GHSHELMJSTWSBT-UHFFFAOYSA-N 2 1 238.297 2.260 20 0 BEADMP C[N@@H+](CCC1CCCCC1)C[C@@H]1CC[NH2+]C1 ZINC000258863513 488140585 /nfs/dbraw/zinc/14/05/85/488140585.db2.gz IWZOXAOETUQUPX-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(C)(C)C1CC1 ZINC000405967607 487495256 /nfs/dbraw/zinc/49/52/56/487495256.db2.gz SGUILRAHMAVFPG-NEPJUHHUSA-N 2 1 224.392 2.482 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1nccs1 ZINC000086404431 487500913 /nfs/dbraw/zinc/50/09/13/487500913.db2.gz ZSQVGJXGSQNFSC-AXFHLTTASA-N 2 1 239.388 2.454 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000662273271 487520468 /nfs/dbraw/zinc/52/04/68/487520468.db2.gz KYDFHZIPGMSJCH-WOPDTQHZSA-N 2 1 246.345 2.352 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000662273271 487520471 /nfs/dbraw/zinc/52/04/71/487520471.db2.gz KYDFHZIPGMSJCH-WOPDTQHZSA-N 2 1 246.345 2.352 20 0 BEADMP Cc1ccc(CCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000680046169 487526285 /nfs/dbraw/zinc/52/62/85/487526285.db2.gz RFPZQYMALJDDBD-IYBDPMFKSA-N 2 1 244.382 2.079 20 0 BEADMP CCc1cccc(F)c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000684361388 488300942 /nfs/dbraw/zinc/30/09/42/488300942.db2.gz DQAQURHUZIJRFF-CHWSQXEVSA-N 2 1 248.345 2.039 20 0 BEADMP CC[C@H](C[NH2+][C@H](C)CCCCO)[NH+]1CCCC1 ZINC000679332797 488336514 /nfs/dbraw/zinc/33/65/14/488336514.db2.gz YWIWQDUJCIGCSX-ZIAGYGMSSA-N 2 1 242.407 2.002 20 0 BEADMP Cc1cccc(CCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000679214958 488317668 /nfs/dbraw/zinc/31/76/68/488317668.db2.gz VXEIWOGBXQTGCZ-IYBDPMFKSA-N 2 1 244.382 2.079 20 0 BEADMP CC(C)[NH+](CC[NH2+][C@@H](C)CCCCO)C(C)C ZINC000679329238 488339803 /nfs/dbraw/zinc/33/98/03/488339803.db2.gz IHPRJFPTNXKDOP-AWEZNQCLSA-N 2 1 244.423 2.246 20 0 BEADMP CCc1cc(N[C@H](C)C2=CC[N@@H+](C)CC2)ncn1 ZINC000679708765 488364849 /nfs/dbraw/zinc/36/48/49/488364849.db2.gz YADOFLQYMYPMLC-LLVKDONJSA-N 2 1 246.358 2.101 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1C ZINC000131534489 490083511 /nfs/dbraw/zinc/08/35/11/490083511.db2.gz NPWDWYQKWPHRBG-JSGCOSHPSA-N 2 1 248.370 2.315 20 0 BEADMP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc1C ZINC000259008575 490126278 /nfs/dbraw/zinc/12/62/78/490126278.db2.gz XKDASSUQFHPEOV-CQSZACIVSA-N 2 1 248.370 2.045 20 0 BEADMP CC(C)CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000390799174 490221970 /nfs/dbraw/zinc/22/19/70/490221970.db2.gz WGEWPSORNDBLEH-OKILXGFUSA-N 2 1 224.392 2.354 20 0 BEADMP CC[C@@H]1C[N@@H+](CCc2ccccc2)CC[C@H]1[NH3+] ZINC000251703410 490260197 /nfs/dbraw/zinc/26/01/97/490260197.db2.gz JBWFBMMQKGBHTC-HUUCEWRRSA-N 2 1 232.371 2.288 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)C1CC1 ZINC000083055793 490318348 /nfs/dbraw/zinc/31/83/48/490318348.db2.gz KUBAUVWQDBVZGI-JSGCOSHPSA-N 2 1 224.392 2.495 20 0 BEADMP Cc1ncccc1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404292490 491093556 /nfs/dbraw/zinc/09/35/56/491093556.db2.gz LVJHNICPMZWTLE-WFASDCNBSA-N 2 1 247.386 2.339 20 0 BEADMP Cc1ncc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)s1 ZINC000090406297 491126049 /nfs/dbraw/zinc/12/60/49/491126049.db2.gz HCWIAQYEYVVXDS-ZJUUUORDSA-N 2 1 241.404 2.442 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)C2CCC2)CC1 ZINC000132203283 491134782 /nfs/dbraw/zinc/13/47/82/491134782.db2.gz XWQPQNNOGLXDQW-LLVKDONJSA-N 2 1 210.365 2.249 20 0 BEADMP Cc1cc(N[C@@H](C)C[N@H+](C)C(C)C)nc(C)[nH+]1 ZINC000310383485 491161253 /nfs/dbraw/zinc/16/12/53/491161253.db2.gz BXGXVEYSBQWPFL-NSHDSACASA-N 2 1 236.363 2.234 20 0 BEADMP Cc1cc(N[C@@H](C)C[N@@H+](C)C(C)C)nc(C)[nH+]1 ZINC000310383485 491161254 /nfs/dbraw/zinc/16/12/54/491161254.db2.gz BXGXVEYSBQWPFL-NSHDSACASA-N 2 1 236.363 2.234 20 0 BEADMP CCC[C@H](C)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000757135098 582514045 /nfs/dbraw/zinc/51/40/45/582514045.db2.gz YKEFQTJKBYWEMV-STQMWFEESA-N 2 1 210.365 2.393 20 0 BEADMP C[C@H]([NH2+]CCc1cccs1)[C@H]1CCC[NH2+]1 ZINC000400504509 533874793 /nfs/dbraw/zinc/87/47/93/533874793.db2.gz HNMWAYRHZFZOQD-CMPLNLGQSA-N 2 1 224.373 2.021 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000488352457 534024059 /nfs/dbraw/zinc/02/40/59/534024059.db2.gz NVTPFPNJCWPNTO-YUELXQCFSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@@H]1C[C@H]1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000488352457 534024063 /nfs/dbraw/zinc/02/40/63/534024063.db2.gz NVTPFPNJCWPNTO-YUELXQCFSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@@H]1C[C@H]1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000488352457 534024071 /nfs/dbraw/zinc/02/40/71/534024071.db2.gz NVTPFPNJCWPNTO-YUELXQCFSA-N 2 1 236.403 2.306 20 0 BEADMP C[NH2+]C1CC[NH+](Cc2cccc(COC)c2)CC1 ZINC000261591867 536439964 /nfs/dbraw/zinc/43/99/64/536439964.db2.gz YCXAAJLYHVXINW-UHFFFAOYSA-N 2 1 248.370 2.017 20 0 BEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCCF ZINC000308638874 527080237 /nfs/dbraw/zinc/08/02/37/527080237.db2.gz XZCMVWHLQHKRSV-UHFFFAOYSA-N 2 1 216.344 2.200 20 0 BEADMP CC(C)CCC[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309035473 527703445 /nfs/dbraw/zinc/70/34/45/527703445.db2.gz FRPNGAPJNCFEHX-CHWSQXEVSA-N 2 1 212.381 2.339 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]C/C=C/c2ccncc2)C1 ZINC000486986780 527743244 /nfs/dbraw/zinc/74/32/44/527743244.db2.gz ZKHLNODXCAUKFB-BWPKMQGJSA-N 2 1 245.370 2.026 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@H]1C[C@@H]1C ZINC000309100206 527990064 /nfs/dbraw/zinc/99/00/64/527990064.db2.gz GJMNNIMNHSUSID-YNEHKIRRSA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@H]1C[C@@H]1C ZINC000309100206 527990070 /nfs/dbraw/zinc/99/00/70/527990070.db2.gz GJMNNIMNHSUSID-YNEHKIRRSA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1C[C@@H]1C ZINC000309037103 528235357 /nfs/dbraw/zinc/23/53/57/528235357.db2.gz ITFUJPQKVHRFIK-AVGNSLFASA-N 2 1 210.365 2.106 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1C[C@@H]1C ZINC000309037103 528235359 /nfs/dbraw/zinc/23/53/59/528235359.db2.gz ITFUJPQKVHRFIK-AVGNSLFASA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000400006184 528346717 /nfs/dbraw/zinc/34/67/17/528346717.db2.gz RLKLPELXYBQTEU-CHWSQXEVSA-N 2 1 210.365 2.092 20 0 BEADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCSC2)CC1 ZINC000495093092 528971091 /nfs/dbraw/zinc/97/10/91/528971091.db2.gz JZIRLHHZFGXPQC-GFCCVEGCSA-N 2 1 242.432 2.156 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCSC2)CC1 ZINC000495093092 528971098 /nfs/dbraw/zinc/97/10/98/528971098.db2.gz JZIRLHHZFGXPQC-GFCCVEGCSA-N 2 1 242.432 2.156 20 0 BEADMP CC(C)[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000179241917 535073898 /nfs/dbraw/zinc/07/38/98/535073898.db2.gz ZWUWURIIEPUFQB-LBPRGKRZSA-N 2 1 210.365 2.344 20 0 BEADMP CC(C)[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000179241917 535073903 /nfs/dbraw/zinc/07/39/03/535073903.db2.gz ZWUWURIIEPUFQB-LBPRGKRZSA-N 2 1 210.365 2.344 20 0 BEADMP CC(C)[NH+](CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000179241917 535073907 /nfs/dbraw/zinc/07/39/07/535073907.db2.gz ZWUWURIIEPUFQB-LBPRGKRZSA-N 2 1 210.365 2.344 20 0 BEADMP CC(C)[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261533669 535182701 /nfs/dbraw/zinc/18/27/01/535182701.db2.gz JSPHLAMKDGFSQD-HZSPNIEDSA-N 2 1 224.392 2.495 20 0 BEADMP CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000261564570 535420900 /nfs/dbraw/zinc/42/09/00/535420900.db2.gz XTBOXCCVJPHZEX-TUAOUCFPSA-N 2 1 236.359 2.472 20 0 BEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC000174211828 535597777 /nfs/dbraw/zinc/59/77/77/535597777.db2.gz NJWJGVTXSIZUGP-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CC[N@@H+](C[C@@H]1CCSC1)[C@@H]1CCC[NH2+]CC1 ZINC000261995546 535773323 /nfs/dbraw/zinc/77/33/23/535773323.db2.gz SULOQBLFOQKYPQ-QWHCGFSZSA-N 2 1 242.432 2.204 20 0 BEADMP CC[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H]([NH3+])C2)C1 ZINC000261555768 535821035 /nfs/dbraw/zinc/82/10/35/535821035.db2.gz VGSDJIONGWUPKW-JHJVBQTASA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H]([NH3+])C2)C1 ZINC000261555768 535821036 /nfs/dbraw/zinc/82/10/36/535821036.db2.gz VGSDJIONGWUPKW-JHJVBQTASA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@]1(C)CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261557551 535910483 /nfs/dbraw/zinc/91/04/83/535910483.db2.gz XKGPJDLZNUOWIV-CHWSQXEVSA-N 2 1 210.365 2.108 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCCO1 ZINC000181741692 535936939 /nfs/dbraw/zinc/93/69/39/535936939.db2.gz RGGMWZABEGYHFN-MQYQWHSLSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CCCO1 ZINC000181741692 535936941 /nfs/dbraw/zinc/93/69/41/535936941.db2.gz RGGMWZABEGYHFN-MQYQWHSLSA-N 2 1 240.391 2.016 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261554051 535937053 /nfs/dbraw/zinc/93/70/53/535937053.db2.gz AOXVSQNJHNTAEQ-GOEBONIOSA-N 2 1 244.382 2.290 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccs2)C1 ZINC000179632610 535943862 /nfs/dbraw/zinc/94/38/62/535943862.db2.gz BSJGXMHTMAQUBA-NSHDSACASA-N 2 1 224.373 2.132 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccs2)C1 ZINC000179632610 535943866 /nfs/dbraw/zinc/94/38/66/535943866.db2.gz BSJGXMHTMAQUBA-NSHDSACASA-N 2 1 224.373 2.132 20 0 BEADMP CC[C@@]1(C)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261554800 536048969 /nfs/dbraw/zinc/04/89/69/536048969.db2.gz UPQHMGHJFJKKTG-OLZOCXBDSA-N 2 1 210.365 2.108 20 0 BEADMP C[N@@H+](CCC[NH+]1CCCC1)C1CCCC1 ZINC000179239216 536346412 /nfs/dbraw/zinc/34/64/12/536346412.db2.gz UGNCHFJRHOFRCM-UHFFFAOYSA-N 2 1 210.365 2.347 20 0 BEADMP CO[C@@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000154907567 536516619 /nfs/dbraw/zinc/51/66/19/536516619.db2.gz QPQOCXBSLAJZDJ-AVGNSLFASA-N 2 1 242.407 2.120 20 0 BEADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000252889537 536897826 /nfs/dbraw/zinc/89/78/26/536897826.db2.gz DXMIZAQHJGFTMO-IUODEOHRSA-N 2 1 248.370 2.125 20 0 BEADMP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1F ZINC000261553275 536902559 /nfs/dbraw/zinc/90/25/59/536902559.db2.gz NRXBYGLTVVNQIW-GUBZILKMSA-N 2 1 240.322 2.221 20 0 BEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCC1SCCS1 ZINC000853022541 588716286 /nfs/dbraw/zinc/71/62/86/588716286.db2.gz ARKKNWVGIQETEA-VIFPVBQESA-N 2 1 248.461 2.146 20 0 BEADMP CCC(N)=[NH+]OC[C@H]1CCCC[N@H+]1C(C)C ZINC000853656117 588752705 /nfs/dbraw/zinc/75/27/05/588752705.db2.gz JCFYYBOCSGMTHE-LLVKDONJSA-N 2 1 227.352 2.158 20 0 BEADMP CCCCC[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000757127723 582503604 /nfs/dbraw/zinc/50/36/04/582503604.db2.gz HVPNJFWZYAYDPY-CYBMUJFWSA-N 2 1 210.365 2.395 20 0 BEADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000891667934 582707732 /nfs/dbraw/zinc/70/77/32/582707732.db2.gz LBELXVCGSLVYDX-UHFFFAOYSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000891780821 582720280 /nfs/dbraw/zinc/72/02/80/582720280.db2.gz CNIMYJDXZMDSEQ-ZDUSSCGKSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CC[C@H](c3ccco3)C2)CC1 ZINC000892019617 582762285 /nfs/dbraw/zinc/76/22/85/582762285.db2.gz NDJGDDNIXUNGAZ-AWEZNQCLSA-N 2 1 248.370 2.411 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000892069315 582783925 /nfs/dbraw/zinc/78/39/25/582783925.db2.gz HWQYRMNCUJPWDC-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](C3CC3)C2)CC1 ZINC000892144399 582799120 /nfs/dbraw/zinc/79/91/20/582799120.db2.gz NWAXUGBZOFYLOU-CQSZACIVSA-N 2 1 222.376 2.060 20 0 BEADMP C[N@@H+](CCC1CC1)CC1CC[NH+](C)CC1 ZINC000743848753 582858912 /nfs/dbraw/zinc/85/89/12/582858912.db2.gz CODKPHKCNTVXHM-UHFFFAOYSA-N 2 1 210.365 2.060 20 0 BEADMP CCCCCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000857086986 588886852 /nfs/dbraw/zinc/88/68/52/588886852.db2.gz OZSAIIDWCOHLON-QWHCGFSZSA-N 2 1 210.365 2.380 20 0 BEADMP C[NH+]1CCC(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)CC1 ZINC000894735103 583514400 /nfs/dbraw/zinc/51/44/00/583514400.db2.gz GJHKNPOCVHWLLA-HZPDHXFCSA-N 2 1 248.414 2.449 20 0 BEADMP Cc1coc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000894779349 583519494 /nfs/dbraw/zinc/51/94/94/583519494.db2.gz GRMPNKCNAVIUHN-GFCCVEGCSA-N 2 1 245.326 2.311 20 0 BEADMP C[N@@H+](C[C@H]1CC1(C)C)CC1CC[NH+](C)CC1 ZINC000895480449 583680461 /nfs/dbraw/zinc/68/04/61/583680461.db2.gz GZAQXPLISOORFD-CYBMUJFWSA-N 2 1 224.392 2.306 20 0 BEADMP C[NH+]1CCC(C[N@H+]2Cc3ccc(O)cc3C2)CC1 ZINC000895557651 583690438 /nfs/dbraw/zinc/69/04/38/583690438.db2.gz DHTMFSRGONJDDM-UHFFFAOYSA-N 2 1 246.354 2.050 20 0 BEADMP C[N@H+]1CC[C@H]1CNc1cc[nH+]c2c(O)cccc12 ZINC000895770617 583724803 /nfs/dbraw/zinc/72/48/03/583724803.db2.gz QEMBQCNMAKQHNO-JTQLQIEISA-N 2 1 243.310 2.056 20 0 BEADMP C[N@H+]1CC[C@@H]1CNc1cc[nH+]c2c(O)cccc12 ZINC000895770619 583725071 /nfs/dbraw/zinc/72/50/71/583725071.db2.gz QEMBQCNMAKQHNO-SNVBAGLBSA-N 2 1 243.310 2.056 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](CF)C2)CC1 ZINC000896000966 583760152 /nfs/dbraw/zinc/76/01/52/583760152.db2.gz ZYQFVERHYUKFAH-CYBMUJFWSA-N 2 1 228.355 2.010 20 0 BEADMP CCO[C@@H](C[NH2+]CC1(C)CCCC1)C[NH+](C)C ZINC000896878457 583844508 /nfs/dbraw/zinc/84/45/08/583844508.db2.gz QEXNGOWEHMPBCJ-ZDUSSCGKSA-N 2 1 242.407 2.123 20 0 BEADMP CCO[C@@H](C[NH2+][C@H]1CC=C(C)CC1)C[NH+](C)C ZINC000896879970 583844928 /nfs/dbraw/zinc/84/49/28/583844928.db2.gz JUQXUIZOIXBFHT-KBPBESRZSA-N 2 1 240.391 2.042 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]CCCCCCO)CC1(C)C ZINC000858155478 588936341 /nfs/dbraw/zinc/93/63/41/588936341.db2.gz JSQFDCDMLHIMTI-CYBMUJFWSA-N 2 1 242.407 2.002 20 0 BEADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC000898072192 584083028 /nfs/dbraw/zinc/08/30/28/584083028.db2.gz ZRSQUMVLKLJVFN-OKILXGFUSA-N 2 1 222.376 2.060 20 0 BEADMP C[C@@H]1CC=CC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000898224396 584102853 /nfs/dbraw/zinc/10/28/53/584102853.db2.gz WCNUZFIWIMWGCW-XJFOESAGSA-N 2 1 222.376 2.413 20 0 BEADMP C[C@@H]1CC=CC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000898224396 584102854 /nfs/dbraw/zinc/10/28/54/584102854.db2.gz WCNUZFIWIMWGCW-XJFOESAGSA-N 2 1 222.376 2.413 20 0 BEADMP C[C@H]1C[C@H]1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC000898307732 584109583 /nfs/dbraw/zinc/10/95/83/584109583.db2.gz GHZFSZFXTLSHEB-RYUDHWBXSA-N 2 1 212.381 2.162 20 0 BEADMP Cn1ccc(C[N@H+](C)CC(C)(C)C[NH+](C)C)c1 ZINC000898308076 584109677 /nfs/dbraw/zinc/10/96/77/584109677.db2.gz NCHZCSISLLMUNY-UHFFFAOYSA-N 2 1 237.391 2.045 20 0 BEADMP Cn1ccc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)c1 ZINC000898308076 584109679 /nfs/dbraw/zinc/10/96/79/584109679.db2.gz NCHZCSISLLMUNY-UHFFFAOYSA-N 2 1 237.391 2.045 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@@H+](C)C[C@H]1CCSC1 ZINC000898307622 584109885 /nfs/dbraw/zinc/10/98/85/584109885.db2.gz DWMDOYPYMDYSKQ-GFCCVEGCSA-N 2 1 244.448 2.259 20 0 BEADMP CC[C@@](C)(C[N@@H+](C)CC(C)(C)C[NH+](C)C)OC ZINC000898308223 584109930 /nfs/dbraw/zinc/10/99/30/584109930.db2.gz SVLDKSJYBRAEDT-AWEZNQCLSA-N 2 1 244.423 2.321 20 0 BEADMP CCc1[nH+]ccn1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000899630436 584221765 /nfs/dbraw/zinc/22/17/65/584221765.db2.gz RPIZGECIPMNMOA-YHWZYXNKSA-N 2 1 233.359 2.366 20 0 BEADMP CCC[C@H]([NH2+]CC1([NH3+])CC1)c1cccnc1 ZINC000902406570 584573937 /nfs/dbraw/zinc/57/39/37/584573937.db2.gz OFSBGRNDTZKHJJ-LBPRGKRZSA-N 2 1 219.332 2.004 20 0 BEADMP [NH3+]C1(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000902406017 584574180 /nfs/dbraw/zinc/57/41/80/584574180.db2.gz KDSOUSNAAASHSJ-CABCVRRESA-N 2 1 244.382 2.479 20 0 BEADMP CC[C@@H]([NH2+]CC1([NH3+])CC1)c1cccc(F)c1 ZINC000902407793 584574464 /nfs/dbraw/zinc/57/44/64/584574464.db2.gz VAIQEQSDVBIPAX-GFCCVEGCSA-N 2 1 222.307 2.358 20 0 BEADMP CC[C@@H]([NH2+]CC1([NH3+])CC1)c1ccsc1 ZINC000902407216 584574995 /nfs/dbraw/zinc/57/49/95/584574995.db2.gz QCZPOEXGDPXYRE-SNVBAGLBSA-N 2 1 210.346 2.280 20 0 BEADMP [NH3+]C1(C[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000902407745 584575026 /nfs/dbraw/zinc/57/50/26/584575026.db2.gz SQCZVFVECHHBGL-ZDUSSCGKSA-N 2 1 231.343 2.014 20 0 BEADMP COc1ccc([C@H](C)[NH2+]CC2([NH3+])CC2)c(C)c1 ZINC000902408616 584575628 /nfs/dbraw/zinc/57/56/28/584575628.db2.gz ZMXOWDTVHQBAGP-NSHDSACASA-N 2 1 234.343 2.146 20 0 BEADMP COc1ccc2c(c1)[C@H]([NH2+]CC1([NH3+])CC1)CCC2 ZINC000902415719 584589528 /nfs/dbraw/zinc/58/95/28/584589528.db2.gz PQVDFHXSFZBWPA-CQSZACIVSA-N 2 1 246.354 2.154 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902443040 584598142 /nfs/dbraw/zinc/59/81/42/584598142.db2.gz CDFJOUOJBQQXHB-XYTAGDGMSA-N 2 1 240.416 2.001 20 0 BEADMP CC1(C)C[NH2+]C[C@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000902444431 584598921 /nfs/dbraw/zinc/59/89/21/584598921.db2.gz NLDMGOPEFXZCDB-VXGBXAGGSA-N 2 1 222.376 2.297 20 0 BEADMP [NH3+]C1(C[NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000902414037 584599781 /nfs/dbraw/zinc/59/97/81/584599781.db2.gz QWOBGUJBLVXVFI-CYBMUJFWSA-N 2 1 248.395 2.098 20 0 BEADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1([NH3+])CC1 ZINC000902415014 584600884 /nfs/dbraw/zinc/60/08/84/584600884.db2.gz JMJJBBQGMDGIJF-AWEZNQCLSA-N 2 1 246.354 2.154 20 0 BEADMP C[C@@H](CCc1ccccc1F)[NH2+]CC1([NH3+])CC1 ZINC000902415099 584601004 /nfs/dbraw/zinc/60/10/04/584601004.db2.gz AJGWCLSWWWUORG-NSHDSACASA-N 2 1 236.334 2.228 20 0 BEADMP CC1(C)C[C@H]([NH2+]CC2([NH3+])CC2)c2ccccc21 ZINC000902415128 584601364 /nfs/dbraw/zinc/60/13/64/584601364.db2.gz BMXLDQRPIIMFNR-ZDUSSCGKSA-N 2 1 230.355 2.490 20 0 BEADMP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000902447068 584603984 /nfs/dbraw/zinc/60/39/84/584603984.db2.gz RECZEZVJAJSYLA-CABCVRRESA-N 2 1 244.382 2.132 20 0 BEADMP CC1(C)C[NH2+]C[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000902447070 584604190 /nfs/dbraw/zinc/60/41/90/584604190.db2.gz RECZEZVJAJSYLA-HUUCEWRRSA-N 2 1 244.382 2.132 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902448364 584605573 /nfs/dbraw/zinc/60/55/73/584605573.db2.gz ZTPDAMRZIANBNI-JVGWCMFKSA-N 2 1 240.416 2.143 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@@H]12)c1c[nH+]ccc1N ZINC000902454375 584608895 /nfs/dbraw/zinc/60/88/95/584608895.db2.gz HGPFAQCHXQPEJQ-KZWBYHQPSA-N 2 1 231.343 2.333 20 0 BEADMP C1CC2(CCCC2)[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902466104 584613755 /nfs/dbraw/zinc/61/37/55/584613755.db2.gz IUZAXWYQPIOEEN-UMSGYPCISA-N 2 1 220.360 2.192 20 0 BEADMP C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902467195 584613907 /nfs/dbraw/zinc/61/39/07/584613907.db2.gz MQGIKZVQXKDFLT-NNYUYHANSA-N 2 1 242.432 2.389 20 0 BEADMP C[C@H](CCc1ccccc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902468368 584615811 /nfs/dbraw/zinc/61/58/11/584615811.db2.gz SKFVLCCXPYXZMK-SLBVQIDZSA-N 2 1 244.382 2.490 20 0 BEADMP CCCC[C@H](COC)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902481865 584623823 /nfs/dbraw/zinc/62/38/23/584623823.db2.gz HLNTXJFTJCJTCG-ZIAGYGMSSA-N 2 1 242.407 2.313 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902796980 584674729 /nfs/dbraw/zinc/67/47/29/584674729.db2.gz SARCGRACNOVHRP-APIJFGDWSA-N 2 1 236.403 2.497 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902957537 584705630 /nfs/dbraw/zinc/70/56/30/584705630.db2.gz KEYOSOWOZRBNFU-CLLJXQQHSA-N 2 1 233.359 2.131 20 0 BEADMP C[C@@H](F)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903178618 584733217 /nfs/dbraw/zinc/73/32/17/584733217.db2.gz XQNLUYXSNNQOMW-WDFAYWTNSA-N 2 1 240.366 2.482 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)C1CC1 ZINC000903240688 584738112 /nfs/dbraw/zinc/73/81/12/584738112.db2.gz XAIPFESWVLEDCY-ONXXMXGDSA-N 2 1 236.403 2.352 20 0 BEADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000903254362 584739544 /nfs/dbraw/zinc/73/95/44/584739544.db2.gz PXEZOZGIBLUPFN-ULDVTWLKSA-N 2 1 234.387 2.246 20 0 BEADMP CC(F)(F)CCC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000903426490 584761033 /nfs/dbraw/zinc/76/10/33/584761033.db2.gz MMLOLARSMKVSNR-SNVBAGLBSA-N 2 1 220.307 2.139 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000903427277 584761285 /nfs/dbraw/zinc/76/12/85/584761285.db2.gz ULAYWIJGKMTJJS-NFAWXSAZSA-N 2 1 244.382 2.461 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000903440167 584763227 /nfs/dbraw/zinc/76/32/27/584763227.db2.gz VIHVLHLIIJHKFT-CRWXNKLISA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@H](C)CCC[C@@H]1C ZINC000903440170 584763339 /nfs/dbraw/zinc/76/33/39/584763339.db2.gz VIHVLHLIIJHKFT-MQYQWHSLSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000903439894 584763413 /nfs/dbraw/zinc/76/34/13/584763413.db2.gz PIKQMBGQMVFCMX-WWGRRREGSA-N 2 1 244.382 2.289 20 0 BEADMP CCSCC[C@H](C)[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903441412 584763512 /nfs/dbraw/zinc/76/35/12/584763512.db2.gz QWGKRZKOXYSPFB-AGIUHOORSA-N 2 1 244.448 2.305 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000903422087 584763926 /nfs/dbraw/zinc/76/39/26/584763926.db2.gz VTXWFPKOIJYMNA-NEPJUHHUSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)C1(F)F ZINC000903464237 584767172 /nfs/dbraw/zinc/76/71/72/584767172.db2.gz FAQSXCZHLYJHLB-KXNHARMFSA-N 2 1 246.345 2.337 20 0 BEADMP CC(C)[N@H+](Cc1ccccn1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903442704 584767846 /nfs/dbraw/zinc/76/78/46/584767846.db2.gz ZCNSAZOZUSUCBB-KGLIPLIRSA-N 2 1 247.386 2.148 20 0 BEADMP Cl/C=C/C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903445127 584769382 /nfs/dbraw/zinc/76/93/82/584769382.db2.gz RSWNVAZPVMPOLN-AQEVESNVSA-N 2 1 240.778 2.486 20 0 BEADMP CCCCOCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903486256 584777336 /nfs/dbraw/zinc/77/73/36/584777336.db2.gz UBJIUMULIAHZIT-ZDUSSCGKSA-N 2 1 240.391 2.067 20 0 BEADMP CCCCOCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903486254 584777541 /nfs/dbraw/zinc/77/75/41/584777541.db2.gz UBJIUMULIAHZIT-CYBMUJFWSA-N 2 1 240.391 2.067 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903481404 584777921 /nfs/dbraw/zinc/77/79/21/584777921.db2.gz ATSKFMMZZAMTLI-ILXRZTDVSA-N 2 1 236.403 2.498 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903481405 584778152 /nfs/dbraw/zinc/77/81/52/584778152.db2.gz ATSKFMMZZAMTLI-QLFBSQMISA-N 2 1 236.403 2.498 20 0 BEADMP c1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000903466713 584780192 /nfs/dbraw/zinc/78/01/92/584780192.db2.gz ZKUNLTVQRAWHQO-CQSZACIVSA-N 2 1 230.355 2.103 20 0 BEADMP Cc1ccc(CC[N@@H+]2C[C@H](N)C(C)(C)C2)cc1 ZINC000903556154 584783127 /nfs/dbraw/zinc/78/31/27/584783127.db2.gz OTEVQEIDDQQSPB-AWEZNQCLSA-N 2 1 232.371 2.207 20 0 BEADMP Cc1ccc(CC[N@H+]2C[C@H](N)C(C)(C)C2)cc1 ZINC000903556154 584783128 /nfs/dbraw/zinc/78/31/28/584783128.db2.gz OTEVQEIDDQQSPB-AWEZNQCLSA-N 2 1 232.371 2.207 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccccc2CF)CC[C@H]1[NH3+] ZINC000903716021 584793974 /nfs/dbraw/zinc/79/39/74/584793974.db2.gz GCIMUIGWBYCARK-SMDDNHRTSA-N 2 1 236.334 2.325 20 0 BEADMP FCc1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000903749634 584794739 /nfs/dbraw/zinc/79/47/39/584794739.db2.gz NMVJQHITXBWISE-CABCVRRESA-N 2 1 248.345 2.340 20 0 BEADMP FCc1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000903749634 584794740 /nfs/dbraw/zinc/79/47/40/584794740.db2.gz NMVJQHITXBWISE-CABCVRRESA-N 2 1 248.345 2.340 20 0 BEADMP FCc1ccccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000903749636 584795101 /nfs/dbraw/zinc/79/51/01/584795101.db2.gz NMVJQHITXBWISE-HUUCEWRRSA-N 2 1 248.345 2.340 20 0 BEADMP FCc1ccccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000903749636 584795102 /nfs/dbraw/zinc/79/51/02/584795102.db2.gz NMVJQHITXBWISE-HUUCEWRRSA-N 2 1 248.345 2.340 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]C1)c1ccccn1 ZINC000903759469 584796842 /nfs/dbraw/zinc/79/68/42/584796842.db2.gz QAJJHPSUXSUAJH-OLZOCXBDSA-N 2 1 233.359 2.122 20 0 BEADMP FCc1ccccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000903744727 584796925 /nfs/dbraw/zinc/79/69/25/584796925.db2.gz XSCWFRKHSXJMAN-OAHLLOKOSA-N 2 1 248.345 2.342 20 0 BEADMP CC1CC(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)C1 ZINC000903762547 584797458 /nfs/dbraw/zinc/79/74/58/584797458.db2.gz AECIWTCCRRAILJ-ROKHWSDSSA-N 2 1 236.403 2.497 20 0 BEADMP C[N@@H+](C[C@@H]1CC1(C)C)C[C@H]1CCCC[NH2+]C1 ZINC000903769894 584798099 /nfs/dbraw/zinc/79/80/99/584798099.db2.gz QXQRTESYMMNWKE-STQMWFEESA-N 2 1 224.392 2.354 20 0 BEADMP CC1CC(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)C1 ZINC000903780120 584799535 /nfs/dbraw/zinc/79/95/35/584799535.db2.gz DJEQCZULVTYTJG-HOAMVYINSA-N 2 1 222.376 2.106 20 0 BEADMP CC1CC(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)C1 ZINC000903780120 584799536 /nfs/dbraw/zinc/79/95/36/584799536.db2.gz DJEQCZULVTYTJG-HOAMVYINSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@]12C[N@@H+](CC[C@H]3CC[NH2+]C3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903827196 584805062 /nfs/dbraw/zinc/80/50/62/584805062.db2.gz QGEBYSHKSWLOAP-DGADGQDISA-N 2 1 248.414 2.354 20 0 BEADMP C[C@@H]1CSCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000903829230 584805771 /nfs/dbraw/zinc/80/57/71/584805771.db2.gz CLCZCZXQNJLULC-OLZOCXBDSA-N 2 1 242.432 2.204 20 0 BEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1F)C2 ZINC000903849215 584808008 /nfs/dbraw/zinc/80/80/08/584808008.db2.gz BAHXUTIJDPNXND-DRZSPHRISA-N 2 1 234.318 2.137 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903854049 584808323 /nfs/dbraw/zinc/80/83/23/584808323.db2.gz IQFPIMMXXUDMTK-GJZGRUSLSA-N 2 1 230.355 2.308 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903854049 584808324 /nfs/dbraw/zinc/80/83/24/584808324.db2.gz IQFPIMMXXUDMTK-GJZGRUSLSA-N 2 1 230.355 2.308 20 0 BEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CC1CCCCC1 ZINC000903855301 584809329 /nfs/dbraw/zinc/80/93/29/584809329.db2.gz NSCQBAJTEZPAMR-ZIAGYGMSSA-N 2 1 222.376 2.380 20 0 BEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CC1CCCCC1 ZINC000903855301 584809330 /nfs/dbraw/zinc/80/93/30/584809330.db2.gz NSCQBAJTEZPAMR-ZIAGYGMSSA-N 2 1 222.376 2.380 20 0 BEADMP CC1(C)CC(C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])C1 ZINC000903857378 584810172 /nfs/dbraw/zinc/81/01/72/584810172.db2.gz DMNWKQIMDIMXPZ-TZMCWYRMSA-N 2 1 222.376 2.236 20 0 BEADMP CC1(C)CC(C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])C1 ZINC000903857378 584810173 /nfs/dbraw/zinc/81/01/73/584810173.db2.gz DMNWKQIMDIMXPZ-TZMCWYRMSA-N 2 1 222.376 2.236 20 0 BEADMP C(CC1CCC1)C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903870352 584814680 /nfs/dbraw/zinc/81/46/80/584814680.db2.gz NMDJKVNUTMHLAB-CQSZACIVSA-N 2 1 222.376 2.395 20 0 BEADMP C(CC1CCC1)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903870352 584814681 /nfs/dbraw/zinc/81/46/81/584814681.db2.gz NMDJKVNUTMHLAB-CQSZACIVSA-N 2 1 222.376 2.395 20 0 BEADMP C[C@@H]1CC[C@@]2(CC[N@H+](C[C@@H]([NH3+])CC(F)F)C2)C1 ZINC000903903576 584821055 /nfs/dbraw/zinc/82/10/55/584821055.db2.gz VWLPCKNEXVLGIH-NTZNESFSSA-N 2 1 246.345 2.481 20 0 BEADMP C[C@@H]1CC[C@@]2(CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C2)C1 ZINC000903903576 584821056 /nfs/dbraw/zinc/82/10/56/584821056.db2.gz VWLPCKNEXVLGIH-NTZNESFSSA-N 2 1 246.345 2.481 20 0 BEADMP C[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)CC12CCC2 ZINC000903913465 584822615 /nfs/dbraw/zinc/82/26/15/584822615.db2.gz CNUYCZTYIIHYBS-MNOVXSKESA-N 2 1 246.345 2.481 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)CC12CCC2 ZINC000903913465 584822616 /nfs/dbraw/zinc/82/26/16/584822616.db2.gz CNUYCZTYIIHYBS-MNOVXSKESA-N 2 1 246.345 2.481 20 0 BEADMP C[C@]1([NH2+]C[C@H]([NH3+])CC(F)F)CC=CCC1 ZINC000903929694 584824104 /nfs/dbraw/zinc/82/41/04/584824104.db2.gz JQHWVJAEHNDXAU-KOLCDFICSA-N 2 1 218.291 2.057 20 0 BEADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC(C)(C)[NH3+] ZINC000903939439 584825958 /nfs/dbraw/zinc/82/59/58/584825958.db2.gz HKQSTWLKVZNXHO-QWHCGFSZSA-N 3 1 241.423 2.014 20 0 BEADMP C[C@@H](CCc1ccccc1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903964129 584834253 /nfs/dbraw/zinc/83/42/53/584834253.db2.gz MOEDAFLMDOBDCO-VNHYZAJKSA-N 2 1 232.371 2.205 20 0 BEADMP CCOc1ccccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903965147 584834388 /nfs/dbraw/zinc/83/43/88/584834388.db2.gz XVNRCBKWMLYFLA-OCCSQVGLSA-N 2 1 248.370 2.030 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904301640 584861390 /nfs/dbraw/zinc/86/13/90/584861390.db2.gz KZUAPSVFJVRRRJ-NSHDSACASA-N 2 1 200.370 2.480 20 0 BEADMP C[N@H+](Cc1cccc(O)c1)C[C@]1(C)CCC[NH2+]C1 ZINC000904301934 584861795 /nfs/dbraw/zinc/86/17/95/584861795.db2.gz PBYNQJHCOFLKAR-OAHLLOKOSA-N 2 1 248.370 2.214 20 0 BEADMP C[N@@H+](Cc1cccc(O)c1)C[C@]1(C)CCC[NH2+]C1 ZINC000904301934 584861796 /nfs/dbraw/zinc/86/17/96/584861796.db2.gz PBYNQJHCOFLKAR-OAHLLOKOSA-N 2 1 248.370 2.214 20 0 BEADMP CC[N@@H+](CCc1cccs1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904309994 584862643 /nfs/dbraw/zinc/86/26/43/584862643.db2.gz UKWZYGDMBXAMRT-TXEJJXNPSA-N 2 1 238.400 2.350 20 0 BEADMP C[N@H+](Cc1ccc(F)c(F)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904308186 584862783 /nfs/dbraw/zinc/86/27/83/584862783.db2.gz LQIORYXSRDTGMX-PHIMTYICSA-N 2 1 240.297 2.134 20 0 BEADMP C[C@@H]1CC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904313459 584863225 /nfs/dbraw/zinc/86/32/25/584863225.db2.gz UOGBKINGXFAPAY-VXGBXAGGSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904313459 584863226 /nfs/dbraw/zinc/86/32/26/584863226.db2.gz UOGBKINGXFAPAY-VXGBXAGGSA-N 2 1 212.381 2.482 20 0 BEADMP C[N@@H+](C[C@@]1(C)CCC[NH2+]C1)C(C1CC1)C1CC1 ZINC000904313777 584863292 /nfs/dbraw/zinc/86/32/92/584863292.db2.gz JYVWPTJDBZFIAG-HNNXBMFYSA-N 2 1 236.403 2.497 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)C1 ZINC000904336828 584863489 /nfs/dbraw/zinc/86/34/89/584863489.db2.gz VJRUOZRFQNADNP-VNNHIJIPSA-N 2 1 234.387 2.234 20 0 BEADMP C[C@H]1CC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904313457 584863702 /nfs/dbraw/zinc/86/37/02/584863702.db2.gz UOGBKINGXFAPAY-NWDGAFQWSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@H]1CC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904313457 584863704 /nfs/dbraw/zinc/86/37/04/584863704.db2.gz UOGBKINGXFAPAY-NWDGAFQWSA-N 2 1 212.381 2.482 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)C1 ZINC000904316984 584863916 /nfs/dbraw/zinc/86/39/16/584863916.db2.gz BPACRROYEJHODE-KYOSRNDESA-N 2 1 248.345 2.352 20 0 BEADMP C[C@@H](c1cccc(O)c1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904320787 584864286 /nfs/dbraw/zinc/86/42/86/584864286.db2.gz PGTYURGJHAXRBS-GMXVVIOVSA-N 2 1 234.343 2.122 20 0 BEADMP C[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C[C@H]1CCOC1 ZINC000904326952 584865270 /nfs/dbraw/zinc/86/52/70/584865270.db2.gz UOTZOKFAWBKNDD-CHWSQXEVSA-N 2 1 242.407 2.108 20 0 BEADMP CC(C)C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325293 584865313 /nfs/dbraw/zinc/86/53/13/584865313.db2.gz VFVNUMKYOWYUBU-MELADBBJSA-N 2 1 224.392 2.482 20 0 BEADMP C[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C[C@@H]1CCOC1 ZINC000904326955 584865646 /nfs/dbraw/zinc/86/56/46/584865646.db2.gz UOTZOKFAWBKNDD-STQMWFEESA-N 2 1 242.407 2.108 20 0 BEADMP CC(C)[N@@H+](CC1CCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904348302 584868059 /nfs/dbraw/zinc/86/80/59/584868059.db2.gz PUTVNQGZEMNFMS-BETUJISGSA-N 2 1 210.365 2.234 20 0 BEADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCC(C)(C)C1 ZINC000904350134 584868951 /nfs/dbraw/zinc/86/89/51/584868951.db2.gz GTAUSMMVISKSRO-TUAOUCFPSA-N 2 1 210.365 2.234 20 0 BEADMP C[C@@H]1CC(C)(C)C[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000904372358 584873914 /nfs/dbraw/zinc/87/39/14/584873914.db2.gz CBIVBUCLUMQUHB-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CC[C@@H](CF)C1 ZINC000904386408 584877710 /nfs/dbraw/zinc/87/77/10/584877710.db2.gz YWBQMXNMVIJKPH-RYUDHWBXSA-N 2 1 230.371 2.431 20 0 BEADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CC[C@@H](CF)C1 ZINC000904386408 584877711 /nfs/dbraw/zinc/87/77/11/584877711.db2.gz YWBQMXNMVIJKPH-RYUDHWBXSA-N 2 1 230.371 2.431 20 0 BEADMP C[C@H]1C[N@@H+](Cc2cccs2)CC[C@H]1C[NH3+] ZINC000904412843 584879598 /nfs/dbraw/zinc/87/95/98/584879598.db2.gz XTGVCKCWFCJMGY-QWRGUYRKSA-N 2 1 224.373 2.165 20 0 BEADMP COc1ccccc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904411858 584879715 /nfs/dbraw/zinc/87/97/15/584879715.db2.gz OLYMYHISTWAKOF-QWHCGFSZSA-N 2 1 248.370 2.112 20 0 BEADMP COc1c(C)cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1C ZINC000841082176 584882877 /nfs/dbraw/zinc/88/28/77/584882877.db2.gz WPRVCXHSYXAKPM-RYUDHWBXSA-N 2 1 236.359 2.137 20 0 BEADMP CCCC[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000769160048 584958796 /nfs/dbraw/zinc/95/87/96/584958796.db2.gz AAMRSDZDYORKKG-UHFFFAOYSA-N 2 1 210.365 2.347 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000817979521 584994930 /nfs/dbraw/zinc/99/49/30/584994930.db2.gz LEMBSUQVMVWGGO-TZMCWYRMSA-N 2 1 218.344 2.309 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000886839887 585182772 /nfs/dbraw/zinc/18/27/72/585182772.db2.gz NYVPVLDRPDJEGI-SOMZYNEFSA-N 2 1 236.403 2.399 20 0 BEADMP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)CCO)CC(C)C ZINC000779344360 585752035 /nfs/dbraw/zinc/75/20/35/585752035.db2.gz XTOTUDAMITVFGS-KBPBESRZSA-N 2 1 244.423 2.103 20 0 BEADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C2CC2)C1 ZINC000782184316 585810734 /nfs/dbraw/zinc/81/07/34/585810734.db2.gz CMYOUDDLXHQEMN-STQMWFEESA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCS1 ZINC000788480633 585925421 /nfs/dbraw/zinc/92/54/21/585925421.db2.gz BWBRTCIMLQIVED-CYBMUJFWSA-N 2 1 242.432 2.156 20 0 BEADMP CSCC[C@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000788493877 585925633 /nfs/dbraw/zinc/92/56/33/585925633.db2.gz JMWUCRZDJSPQON-LBPRGKRZSA-N 2 1 244.448 2.402 20 0 BEADMP Cc1[nH+]ccn1CCC[NH+]1CCC(F)(F)CC1 ZINC000796540677 586106338 /nfs/dbraw/zinc/10/63/38/586106338.db2.gz VQJAJSHLMFTJNE-UHFFFAOYSA-N 2 1 243.301 2.313 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798956978 586154588 /nfs/dbraw/zinc/15/45/88/586154588.db2.gz SECRWKPFDCMKQF-KGLIPLIRSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCSC(C)(C)C)C1 ZINC000801921372 586277785 /nfs/dbraw/zinc/27/77/85/586277785.db2.gz AOAPOEOHAJXEDW-LBPRGKRZSA-N 2 1 244.448 2.402 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@@H+](CCSC(C)(C)C)C1 ZINC000801921371 586277928 /nfs/dbraw/zinc/27/79/28/586277928.db2.gz AOAPOEOHAJXEDW-GFCCVEGCSA-N 2 1 244.448 2.402 20 0 BEADMP CC(C)C(=O)CC[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000808733297 586485614 /nfs/dbraw/zinc/48/56/14/586485614.db2.gz PFZVRHKXVMBRGU-CHWSQXEVSA-N 2 1 240.391 2.016 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H]1CCC=CO1 ZINC000809757793 586517744 /nfs/dbraw/zinc/51/77/44/586517744.db2.gz XWBHABJJKYDWFT-CQSZACIVSA-N 2 1 240.391 2.343 20 0 BEADMP Cc1cc(Cl)nc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000817929553 586842525 /nfs/dbraw/zinc/84/25/25/586842525.db2.gz IJHFBSPHYJAQJG-NXEZZACHSA-N 2 1 241.766 2.259 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000817954230 586848809 /nfs/dbraw/zinc/84/88/09/586848809.db2.gz XNKRMWROYARVIZ-JHJVBQTASA-N 2 1 210.365 2.154 20 0 BEADMP CC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccc2c(c1)CCCO2 ZINC000817966072 586854558 /nfs/dbraw/zinc/85/45/58/586854558.db2.gz FSCNQIXEZYPQKA-BXUZGUMPSA-N 2 1 248.370 2.400 20 0 BEADMP CCOc1cccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])c1 ZINC000817970247 586857729 /nfs/dbraw/zinc/85/77/29/586857729.db2.gz PHZHFYRRJTVTMM-WDEREUQCSA-N 2 1 222.332 2.083 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000817979517 586861396 /nfs/dbraw/zinc/86/13/96/586861396.db2.gz LEMBSUQVMVWGGO-JSGCOSHPSA-N 2 1 218.344 2.309 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCO2)[C@H](C)[NH3+] ZINC000817977449 586862083 /nfs/dbraw/zinc/86/20/83/586862083.db2.gz KLQIUCFDJYZBMP-AXFHLTTASA-N 2 1 234.343 2.008 20 0 BEADMP CC[C@H]1C[C@H]([NH2+]CC[N@H+](CC)C(C)C)CCO1 ZINC000823756865 587239910 /nfs/dbraw/zinc/23/99/10/587239910.db2.gz DIXNYOBGUOGAEN-KGLIPLIRSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@H]1C[C@H]([NH2+]CC[N@@H+](CC)C(C)C)CCO1 ZINC000823756865 587239912 /nfs/dbraw/zinc/23/99/12/587239912.db2.gz DIXNYOBGUOGAEN-KGLIPLIRSA-N 2 1 242.407 2.264 20 0 BEADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C1CC1 ZINC000825126943 587306212 /nfs/dbraw/zinc/30/62/12/587306212.db2.gz ULJYWBSNIIWPBA-RQJABVFESA-N 2 1 222.376 2.105 20 0 BEADMP COc1c(C)cc(C[NH2+][C@H](C[NH3+])C2CC2)cc1C ZINC000841028068 587935646 /nfs/dbraw/zinc/93/56/46/587935646.db2.gz KRYCLUNSFKVZLD-CQSZACIVSA-N 2 1 248.370 2.139 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2cncc3ccccc32)CCC1 ZINC000841049763 587939676 /nfs/dbraw/zinc/93/96/76/587939676.db2.gz WDKVHZPAPCCVES-UHFFFAOYSA-N 2 1 241.338 2.206 20 0 BEADMP COc1c(C)cc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1C ZINC000841051847 587940309 /nfs/dbraw/zinc/94/03/09/587940309.db2.gz ZIPDQTPMGDVQOS-CQSZACIVSA-N 2 1 248.370 2.139 20 0 BEADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccnc2Cl)C1 ZINC000841055778 587940798 /nfs/dbraw/zinc/94/07/98/587940798.db2.gz WFQFCFJEDYPUBY-QWRGUYRKSA-N 2 1 239.750 2.095 20 0 BEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cnc2ccccc2c1 ZINC000841076640 587943434 /nfs/dbraw/zinc/94/34/34/587943434.db2.gz KOUZTPWDRASTHO-MNOVXSKESA-N 2 1 229.327 2.060 20 0 BEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCc1cccs1 ZINC000842476760 588029727 /nfs/dbraw/zinc/02/97/27/588029727.db2.gz VBQKHRJCUZGDRA-MDZLAQPJSA-N 2 1 238.400 2.267 20 0 BEADMP CCCCCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000842480527 588030056 /nfs/dbraw/zinc/03/00/56/588030056.db2.gz PDQWDDLLRQDDCM-CYBMUJFWSA-N 2 1 210.365 2.395 20 0 BEADMP CCCCCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000842480527 588030058 /nfs/dbraw/zinc/03/00/58/588030058.db2.gz PDQWDDLLRQDDCM-CYBMUJFWSA-N 2 1 210.365 2.395 20 0 BEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(O)c1 ZINC000843053981 588077358 /nfs/dbraw/zinc/07/73/58/588077358.db2.gz OFRQFSKIWXWKHR-AGUYFDCRSA-N 2 1 246.354 2.236 20 0 BEADMP C[NH2+]CCC[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000843355994 588103031 /nfs/dbraw/zinc/10/30/31/588103031.db2.gz ADQJVLGGCKJIRK-LBPRGKRZSA-N 2 1 218.344 2.215 20 0 BEADMP [NH3+]CCCCCCC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000843384588 588105621 /nfs/dbraw/zinc/10/56/21/588105621.db2.gz UKZITKRQDMAKEO-CQSZACIVSA-N 2 1 241.423 2.099 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H]1C ZINC000845997129 588252922 /nfs/dbraw/zinc/25/29/22/588252922.db2.gz VBDZVUWRSLLURG-QWHCGFSZSA-N 2 1 212.381 2.352 20 0 BEADMP [NH3+]CCCCCC[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000846217388 588259887 /nfs/dbraw/zinc/25/98/87/588259887.db2.gz GBNOXWQHEILHDX-ZDUSSCGKSA-N 2 1 240.391 2.006 20 0 BEADMP CC(C)CO[C@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846219693 588260719 /nfs/dbraw/zinc/26/07/19/588260719.db2.gz VYNFCHYXHWSPCQ-AWEZNQCLSA-N 2 1 242.407 2.252 20 0 BEADMP Cl/C=C\C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000846220764 588261054 /nfs/dbraw/zinc/26/10/54/588261054.db2.gz PTNWAUUOOZYMGF-BCIKPAMSSA-N 2 1 228.767 2.203 20 0 BEADMP Cl/C=C\C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000846220764 588261055 /nfs/dbraw/zinc/26/10/55/588261055.db2.gz PTNWAUUOOZYMGF-BCIKPAMSSA-N 2 1 228.767 2.203 20 0 BEADMP Cl/C=C\C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000846221253 588261359 /nfs/dbraw/zinc/26/13/59/588261359.db2.gz VICACEDIOOXPKE-VHGJUTQGSA-N 2 1 228.767 2.060 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846229301 588261982 /nfs/dbraw/zinc/26/19/82/588261982.db2.gz SMEPWYKJDYKJIN-LLVKDONJSA-N 2 1 232.318 2.237 20 0 BEADMP C[NH+](C)[C@H](C[NH2+]C1CC(CF)(CF)C1)C1CC1 ZINC000850425754 588545704 /nfs/dbraw/zinc/54/57/04/588545704.db2.gz PKMIALMVPGCPHE-GFCCVEGCSA-N 2 1 246.345 2.004 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C=CCC2)[C@@H]2CCC[C@@H]21 ZINC000850506204 588552848 /nfs/dbraw/zinc/55/28/48/588552848.db2.gz CLCOFTAKLSGUJG-RFGFWPKPSA-N 2 1 220.360 2.167 20 0 BEADMP CCO[C@H](C[N@@H+](C)C1CCC([NH3+])CC1)C1CC1 ZINC000863541622 589297347 /nfs/dbraw/zinc/29/73/47/589297347.db2.gz KMXNHOBLSGPYJW-JXQTWKCFSA-N 2 1 240.391 2.003 20 0 BEADMP C[NH2+]CCC[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863558000 589299168 /nfs/dbraw/zinc/29/91/68/589299168.db2.gz UPSGBEGAVJCXIA-HRCADAONSA-N 2 1 244.382 2.331 20 0 BEADMP C[C@H]([NH3+])C[N@H+](C)CC[C@H]1CCc2ccccc21 ZINC000863569127 589299994 /nfs/dbraw/zinc/29/99/94/589299994.db2.gz SDFTWCNTNVEOCI-GXTWGEPZSA-N 2 1 232.371 2.386 20 0 BEADMP C[C@H]([NH3+])C[N@@H+](C)CC[C@H]1CCc2ccccc21 ZINC000863569127 589299996 /nfs/dbraw/zinc/29/99/96/589299996.db2.gz SDFTWCNTNVEOCI-GXTWGEPZSA-N 2 1 232.371 2.386 20 0 BEADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(C)o1 ZINC000120176500 589389347 /nfs/dbraw/zinc/38/93/47/589389347.db2.gz BMYWXDBUVLPNAW-CYBMUJFWSA-N 2 1 236.359 2.328 20 0 BEADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(C)o1 ZINC000120176500 589389349 /nfs/dbraw/zinc/38/93/49/589389349.db2.gz BMYWXDBUVLPNAW-CYBMUJFWSA-N 2 1 236.359 2.328 20 0 BEADMP CS[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000865733263 589459242 /nfs/dbraw/zinc/45/92/42/589459242.db2.gz GSQRQQHTWZHUQP-RVMXOQNASA-N 2 1 240.416 2.097 20 0 BEADMP CCc1cc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc[nH+]1 ZINC000866206193 589480099 /nfs/dbraw/zinc/48/00/99/589480099.db2.gz BYVAPYLYPSMFKE-DOMZBBRYSA-N 2 1 245.370 2.174 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)OC)[C@@H](C)C1 ZINC000866503731 589497900 /nfs/dbraw/zinc/49/79/00/589497900.db2.gz VTACXWYQWOGZQB-QWHCGFSZSA-N 2 1 242.407 2.121 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CCC[C@@H](C[NH3+])C2)c(C)n1 ZINC000866659833 589507886 /nfs/dbraw/zinc/50/78/86/589507886.db2.gz VRUKLPXOZYTMER-AWEZNQCLSA-N 2 1 247.386 2.178 20 0 BEADMP C[C@@H]([NH3+])C1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000866658816 589508242 /nfs/dbraw/zinc/50/82/42/589508242.db2.gz AUNMYHMVEBLXRW-SNVBAGLBSA-N 2 1 249.358 2.111 20 0 BEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000866665318 589509513 /nfs/dbraw/zinc/50/95/13/589509513.db2.gz BFYFCVDJUCDWQM-RYUDHWBXSA-N 2 1 242.407 2.155 20 0 BEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cccnc2)C1 ZINC000866708061 589514802 /nfs/dbraw/zinc/51/48/02/589514802.db2.gz XMMFONZMVDAAOO-HNNXBMFYSA-N 2 1 247.386 2.279 20 0 BEADMP CC(C)=CCC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866722694 589514886 /nfs/dbraw/zinc/51/48/86/589514886.db2.gz CDTIXGXGMBXAND-STQMWFEESA-N 2 1 208.349 2.169 20 0 BEADMP CC(C)=CCC[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866722694 589514888 /nfs/dbraw/zinc/51/48/88/589514888.db2.gz CDTIXGXGMBXAND-STQMWFEESA-N 2 1 208.349 2.169 20 0 BEADMP CC[N@H+](CC[NH2+][C@@H]1CCOC(C)(C)C1)C(C)C ZINC000872030404 589857319 /nfs/dbraw/zinc/85/73/19/589857319.db2.gz DYHPEIRJYFLAJK-CYBMUJFWSA-N 2 1 242.407 2.264 20 0 BEADMP CC[N@@H+](CC[NH2+][C@@H]1CCOC(C)(C)C1)C(C)C ZINC000872030404 589857322 /nfs/dbraw/zinc/85/73/22/589857322.db2.gz DYHPEIRJYFLAJK-CYBMUJFWSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@H]1C[C@H](Nc2cc[nH+]cc2C2CC2)CC[N@H+]1C ZINC000872463053 589941737 /nfs/dbraw/zinc/94/17/37/589941737.db2.gz HKKVXKVODPJSHG-WCQYABFASA-N 2 1 245.370 2.276 20 0 BEADMP CSC(C)(C)CC[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000877154443 590293148 /nfs/dbraw/zinc/29/31/48/590293148.db2.gz QNZXETFSQLWTKX-LBPRGKRZSA-N 2 1 244.448 2.450 20 0 BEADMP CSC(C)(C)CC[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000877154443 590293149 /nfs/dbraw/zinc/29/31/49/590293149.db2.gz QNZXETFSQLWTKX-LBPRGKRZSA-N 2 1 244.448 2.450 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)CC[C@@H]21 ZINC000877736738 590404892 /nfs/dbraw/zinc/40/48/92/590404892.db2.gz AUFGUKWEZKCBGS-QMIVOQANSA-N 2 1 234.387 2.059 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)CC[C@@H]21 ZINC000877736738 590404895 /nfs/dbraw/zinc/40/48/95/590404895.db2.gz AUFGUKWEZKCBGS-QMIVOQANSA-N 2 1 234.387 2.059 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)CC[C@@H]21 ZINC000877736738 590404898 /nfs/dbraw/zinc/40/48/98/590404898.db2.gz AUFGUKWEZKCBGS-QMIVOQANSA-N 2 1 234.387 2.059 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)CC[C@@H]21 ZINC000877736738 590404899 /nfs/dbraw/zinc/40/48/99/590404899.db2.gz AUFGUKWEZKCBGS-QMIVOQANSA-N 2 1 234.387 2.059 20 0 BEADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(C)(C)C)CC[C@H]21 ZINC000877743364 590410289 /nfs/dbraw/zinc/41/02/89/590410289.db2.gz VIQJSJHFHGUSRR-QWHCGFSZSA-N 2 1 224.392 2.449 20 0 BEADMP C[N@H+]1CC[C@H]2C[NH+](CCC(C)(C)C)CC[C@H]21 ZINC000877743364 590410291 /nfs/dbraw/zinc/41/02/91/590410291.db2.gz VIQJSJHFHGUSRR-QWHCGFSZSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](CCC(C)(C)C)CC[C@H]21 ZINC000877743364 590410294 /nfs/dbraw/zinc/41/02/94/590410294.db2.gz VIQJSJHFHGUSRR-QWHCGFSZSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(C)(C)C)CC[C@H]21 ZINC000877743364 590410297 /nfs/dbraw/zinc/41/02/97/590410297.db2.gz VIQJSJHFHGUSRR-QWHCGFSZSA-N 2 1 224.392 2.449 20 0 BEADMP C[N@H+]1CC[C@H]2C[NH+](CCc3ccccc3)CC[C@H]21 ZINC000877743495 590410424 /nfs/dbraw/zinc/41/04/24/590410424.db2.gz WJSQAVRBSNHSPY-JKSUJKDBSA-N 2 1 244.382 2.255 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](CCc3ccccc3)CC[C@H]21 ZINC000877743495 590410425 /nfs/dbraw/zinc/41/04/25/590410425.db2.gz WJSQAVRBSNHSPY-JKSUJKDBSA-N 2 1 244.382 2.255 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](CCc3ccccc3)CC[C@H]21 ZINC000877743495 590410428 /nfs/dbraw/zinc/41/04/28/590410428.db2.gz WJSQAVRBSNHSPY-JKSUJKDBSA-N 2 1 244.382 2.255 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CC=CCC3)CC[C@H]21 ZINC000877744736 590412762 /nfs/dbraw/zinc/41/27/62/590412762.db2.gz XKIXHXYCAFRVAQ-RBSFLKMASA-N 2 1 234.387 2.369 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CC=CCC3)CC[C@H]21 ZINC000877744736 590412763 /nfs/dbraw/zinc/41/27/63/590412763.db2.gz XKIXHXYCAFRVAQ-RBSFLKMASA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CC=CCC3)CC[C@H]21 ZINC000877744736 590412764 /nfs/dbraw/zinc/41/27/64/590412764.db2.gz XKIXHXYCAFRVAQ-RBSFLKMASA-N 2 1 234.387 2.369 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CC=CCC3)CC[C@H]21 ZINC000877744736 590412765 /nfs/dbraw/zinc/41/27/65/590412765.db2.gz XKIXHXYCAFRVAQ-RBSFLKMASA-N 2 1 234.387 2.369 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2(C)CC(F)(F)C2)CC[N@@H+]1C ZINC000877834314 590428842 /nfs/dbraw/zinc/42/88/42/590428842.db2.gz QFZMQZLXCZYPHG-NXEZZACHSA-N 2 1 232.318 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2(C)CC(F)(F)C2)CC[N@H+]1C ZINC000877834314 590428843 /nfs/dbraw/zinc/42/88/43/590428843.db2.gz QFZMQZLXCZYPHG-NXEZZACHSA-N 2 1 232.318 2.247 20 0 BEADMP C[NH+]1CCC2(CC[N@@H+](C[Si](C)(C)C)C2)CC1 ZINC000878865231 590634440 /nfs/dbraw/zinc/63/44/40/590634440.db2.gz VYDJHWUGMOBRIO-UHFFFAOYSA-N 2 1 240.467 2.282 20 0 BEADMP C=C/C=C/CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580323 590820735 /nfs/dbraw/zinc/82/07/35/590820735.db2.gz SLLDLCNTJBZXSU-OOPLNXAUSA-N 2 1 220.360 2.145 20 0 BEADMP C=C/C=C/CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580323 590820736 /nfs/dbraw/zinc/82/07/36/590820736.db2.gz SLLDLCNTJBZXSU-OOPLNXAUSA-N 2 1 220.360 2.145 20 0 BEADMP C=C/C=C/CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580323 590820737 /nfs/dbraw/zinc/82/07/37/590820737.db2.gz SLLDLCNTJBZXSU-OOPLNXAUSA-N 2 1 220.360 2.145 20 0 BEADMP C=C/C=C/CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580323 590820738 /nfs/dbraw/zinc/82/07/38/590820738.db2.gz SLLDLCNTJBZXSU-OOPLNXAUSA-N 2 1 220.360 2.145 20 0 BEADMP C=C/C=C\CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580325 590821422 /nfs/dbraw/zinc/82/14/22/590821422.db2.gz SLLDLCNTJBZXSU-UUSXEQNQSA-N 2 1 220.360 2.145 20 0 BEADMP C=C/C=C\CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580325 590821411 /nfs/dbraw/zinc/82/14/11/590821411.db2.gz SLLDLCNTJBZXSU-UUSXEQNQSA-N 2 1 220.360 2.145 20 0 BEADMP C=C/C=C\CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580325 590821415 /nfs/dbraw/zinc/82/14/15/590821415.db2.gz SLLDLCNTJBZXSU-UUSXEQNQSA-N 2 1 220.360 2.145 20 0 BEADMP C=C/C=C\CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580325 590821419 /nfs/dbraw/zinc/82/14/19/590821419.db2.gz SLLDLCNTJBZXSU-UUSXEQNQSA-N 2 1 220.360 2.145 20 0 BEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(F)CC1 ZINC000880242481 590975875 /nfs/dbraw/zinc/97/58/75/590975875.db2.gz AUBZGOKOUBFUKS-CYBMUJFWSA-N 2 1 228.355 2.295 20 0 BEADMP CC[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258903 590979431 /nfs/dbraw/zinc/97/94/31/590979431.db2.gz DTDKOFKGIJKAIV-OLZOCXBDSA-N 2 1 233.359 2.391 20 0 BEADMP CCC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880262449 590980925 /nfs/dbraw/zinc/98/09/25/590980925.db2.gz ZSKBWWGAGYOBCQ-GFCCVEGCSA-N 2 1 219.332 2.002 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](CF)C1 ZINC000880297649 590992369 /nfs/dbraw/zinc/99/23/69/590992369.db2.gz QZJUYWWMZLKYQR-ZDUSSCGKSA-N 2 1 239.338 2.263 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](CF)C1 ZINC000880297649 590992372 /nfs/dbraw/zinc/99/23/72/590992372.db2.gz QZJUYWWMZLKYQR-ZDUSSCGKSA-N 2 1 239.338 2.263 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2C=CCC2)CC1(C)C ZINC000883236706 591582589 /nfs/dbraw/zinc/58/25/89/591582589.db2.gz IWGMXYIJANPITI-QWHCGFSZSA-N 2 1 222.376 2.415 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C=CCC2)CC1(C)C ZINC000883236705 591582762 /nfs/dbraw/zinc/58/27/62/591582762.db2.gz IWGMXYIJANPITI-OLZOCXBDSA-N 2 1 222.376 2.415 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C=CCC2)[C@H]2CCC[C@@H]21 ZINC000883245586 591585858 /nfs/dbraw/zinc/58/58/58/591585858.db2.gz NYJLBENQQMZIOY-KBXIAJHMSA-N 2 1 234.387 2.415 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883416951 591652327 /nfs/dbraw/zinc/65/23/27/591652327.db2.gz JLQUAGUJSRAHJX-VXGBXAGGSA-N 2 1 246.345 2.353 20 0 BEADMP C=C/C=C\CC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000883429637 591660862 /nfs/dbraw/zinc/66/08/62/591660862.db2.gz AORYCBUOGPINEW-QUFGHOJKSA-N 2 1 208.349 2.095 20 0 BEADMP C=C/C=C\CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000883429908 591662219 /nfs/dbraw/zinc/66/22/19/591662219.db2.gz HZRJEFBBPYKIBK-NQHOJNORSA-N 2 1 220.360 2.194 20 0 BEADMP Cc1ccncc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000135501628 592015513 /nfs/dbraw/zinc/01/55/13/592015513.db2.gz YGJBUPKLUTVMBX-UHFFFAOYSA-N 2 1 233.359 2.092 20 0 BEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ncco1 ZINC000886537209 592250550 /nfs/dbraw/zinc/25/05/50/592250550.db2.gz WIKXCDVLCULCOF-WDEREUQCSA-N 2 1 248.330 2.166 20 0 BEADMP CCCC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865505 592374135 /nfs/dbraw/zinc/37/41/35/592374135.db2.gz MJZHFTUMEFQLLO-CYBMUJFWSA-N 2 1 210.365 2.252 20 0 BEADMP C[N@@H+](CCCF)CCC[NH+]1CCCCC1 ZINC000887141390 592455498 /nfs/dbraw/zinc/45/54/98/592455498.db2.gz RCJASHUMGBDIMD-UHFFFAOYSA-N 2 1 216.344 2.154 20 0 BEADMP CC1(C)[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)C1(F)F ZINC000925704813 634384402 /nfs/dbraw/zinc/38/44/02/634384402.db2.gz FKWCEMNMLUHOER-VHSXEESVSA-N 2 1 244.329 2.152 20 0 BEADMP C[C@@]1(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1(F)F ZINC000925710783 634409227 /nfs/dbraw/zinc/40/92/27/634409227.db2.gz QVMKIINZXMVKGK-MNOVXSKESA-N 2 1 244.329 2.296 20 0 BEADMP c1ccc(CCC[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000257741590 634488886 /nfs/dbraw/zinc/48/88/86/634488886.db2.gz YXAGKOPREFEQQD-MRXNPFEDSA-N 2 1 244.382 2.447 20 0 BEADMP c1ccc(CCC[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000257741590 634488895 /nfs/dbraw/zinc/48/88/95/634488895.db2.gz YXAGKOPREFEQQD-MRXNPFEDSA-N 2 1 244.382 2.447 20 0 BEADMP [NH3+]CC[C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000125516318 634527687 /nfs/dbraw/zinc/52/76/87/634527687.db2.gz YPGOMTDNDSCHTG-HNNXBMFYSA-N 2 1 232.371 2.290 20 0 BEADMP CCc1ccc(CC[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC000258857341 635213890 /nfs/dbraw/zinc/21/38/90/635213890.db2.gz YDTAUYIFUVLPBX-LBPRGKRZSA-N 2 1 220.360 2.071 20 0 BEADMP CCc1ccc(CC[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC000258857341 635213919 /nfs/dbraw/zinc/21/39/19/635213919.db2.gz YDTAUYIFUVLPBX-LBPRGKRZSA-N 2 1 220.360 2.071 20 0 BEADMP C[C@@H]1CC[C@H]1[NH2+]CC[N@H+](C)C1CCCC1 ZINC000308805624 631501478 /nfs/dbraw/zinc/50/14/78/631501478.db2.gz MGJKAPLTMDZSAS-DGCLKSJQSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1CC[C@H]1[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000308805624 631501483 /nfs/dbraw/zinc/50/14/83/631501483.db2.gz MGJKAPLTMDZSAS-DGCLKSJQSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1(Cl)CC1 ZINC000926573780 632571255 /nfs/dbraw/zinc/57/12/55/632571255.db2.gz QBVPQSPIFUDYCR-RYUDHWBXSA-N 2 1 244.810 2.468 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CC[C@H]1C ZINC000309164421 632655997 /nfs/dbraw/zinc/65/59/97/632655997.db2.gz IIDFIMMUBBCNDG-UPJWGTAASA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CC[C@H]1C ZINC000309164421 632655999 /nfs/dbraw/zinc/65/59/99/632655999.db2.gz IIDFIMMUBBCNDG-UPJWGTAASA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCCC(C)(C)C2)CC[NH2+]1 ZINC000235367384 632680575 /nfs/dbraw/zinc/68/05/75/632680575.db2.gz VJSXXZBHWXUWCE-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1ncccc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000310506313 632750751 /nfs/dbraw/zinc/75/07/51/632750751.db2.gz OIDDGCFBOGZEPC-UHFFFAOYSA-N 2 1 233.359 2.092 20 0 BEADMP C[C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCC[C@@H]3C2)CC[NH2+]1 ZINC000235744124 632825708 /nfs/dbraw/zinc/82/57/08/632825708.db2.gz VLRLSDLJSDDBBN-XDQVBPFNSA-N 2 1 222.376 2.106 20 0 BEADMP Cc1cc(C[NH2+][C@H](C)CC[NH+](C)C)c(C)o1 ZINC000309430856 633061964 /nfs/dbraw/zinc/06/19/64/633061964.db2.gz MKBAOPHPZQLITE-SNVBAGLBSA-N 2 1 224.348 2.326 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000925502937 633826571 /nfs/dbraw/zinc/82/65/71/633826571.db2.gz JIYPYLVOMPXISY-HIFRSBDPSA-N 2 1 247.386 2.219 20 0 BEADMP CC(C)c1[nH+]ccn1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309124475 633849880 /nfs/dbraw/zinc/84/98/80/633849880.db2.gz VTUKDZXHDWHKHW-MNOVXSKESA-N 2 1 207.321 2.134 20 0 BEADMP Cc1cccc(F)c1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925523904 633898531 /nfs/dbraw/zinc/89/85/31/633898531.db2.gz OUAPNAGNWZRESA-UONOGXRCSA-N 2 1 248.345 2.494 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000930578246 633906326 /nfs/dbraw/zinc/90/63/26/633906326.db2.gz RIZHGHPTWINCNL-QLFBSQMISA-N 2 1 236.403 2.450 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000930578246 633906331 /nfs/dbraw/zinc/90/63/31/633906331.db2.gz RIZHGHPTWINCNL-QLFBSQMISA-N 2 1 236.403 2.450 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000930578246 633906343 /nfs/dbraw/zinc/90/63/43/633906343.db2.gz RIZHGHPTWINCNL-QLFBSQMISA-N 2 1 236.403 2.450 20 0 BEADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000925619062 634174099 /nfs/dbraw/zinc/17/40/99/634174099.db2.gz KQQQAXMLZMHMMH-VHSXEESVSA-N 2 1 232.318 2.294 20 0 BEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1=CCCCC1 ZINC000925677754 634272513 /nfs/dbraw/zinc/27/25/13/634272513.db2.gz AQCIJZFVLWMEDR-GFCCVEGCSA-N 2 1 208.349 2.217 20 0 BEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000925682913 634284296 /nfs/dbraw/zinc/28/42/96/634284296.db2.gz HMTBLZDPDYBIGC-VHSXEESVSA-N 2 1 232.318 2.152 20 0 BEADMP FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925683381 634287422 /nfs/dbraw/zinc/28/74/22/634287422.db2.gz PPQBQHGBKXFKPH-GHMZBOCLSA-N 2 1 244.329 2.296 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000925684762 634294980 /nfs/dbraw/zinc/29/49/80/634294980.db2.gz IZLKAJKAMCCYOS-GXSJLCMTSA-N 2 1 232.318 2.152 20 0 BEADMP CC(C)Cc1ccc(C[NH2+]CC2([NH3+])CC2)cc1 ZINC000259005237 635234283 /nfs/dbraw/zinc/23/42/83/635234283.db2.gz FMRQBJPKDCRSOX-UHFFFAOYSA-N 2 1 232.371 2.466 20 0 BEADMP C[C@H]1C[N@@H+](CCCCCCC[NH3+])[C@@H](C)CO1 ZINC000223221921 635363814 /nfs/dbraw/zinc/36/38/14/635363814.db2.gz DVTBGNYSBNZVBI-STQMWFEESA-N 2 1 228.380 2.005 20 0 BEADMP c1cn2c([nH+]1)CC[C@@H]([NH2+][C@H]1CC3CCC1CC3)C2 ZINC000925812515 635368637 /nfs/dbraw/zinc/36/86/37/635368637.db2.gz IJGPXVQIHSVNGP-PQAZSJQKSA-N 2 1 245.370 2.366 20 0 BEADMP c1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1C[C@H]3C=C[C@@H]1CC3)C2 ZINC000925815078 635382144 /nfs/dbraw/zinc/38/21/44/635382144.db2.gz SXOBMSLMFTYKFC-CRWXNKLISA-N 2 1 243.354 2.142 20 0 BEADMP C[NH+](C)CCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000151935506 636717897 /nfs/dbraw/zinc/71/78/97/636717897.db2.gz QUCUBPXVVAEFQZ-CQSZACIVSA-N 2 1 236.334 2.354 20 0 BEADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3CC=CCC3)C[C@]2(C)C1 ZINC000897621940 636827990 /nfs/dbraw/zinc/82/79/90/636827990.db2.gz ZTRUHFCIUVKKDK-ZNMIVQPWSA-N 2 1 234.387 2.226 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CC=CCC3)C[C@]2(C)C1 ZINC000897621940 636827993 /nfs/dbraw/zinc/82/79/93/636827993.db2.gz ZTRUHFCIUVKKDK-ZNMIVQPWSA-N 2 1 234.387 2.226 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CC=CCC3)C[C@]2(C)C1 ZINC000897621940 636827996 /nfs/dbraw/zinc/82/79/96/636827996.db2.gz ZTRUHFCIUVKKDK-ZNMIVQPWSA-N 2 1 234.387 2.226 20 0 BEADMP CCc1cc(NC2CCC([NH3+])CC2)nc(C)[nH+]1 ZINC000088760051 636900515 /nfs/dbraw/zinc/90/05/15/636900515.db2.gz HPBFXHHZTKZMKZ-UHFFFAOYSA-N 2 1 234.347 2.029 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000041027712 636951040 /nfs/dbraw/zinc/95/10/40/636951040.db2.gz KLMUQWHZPDMFFJ-ZFWWWQNUSA-N 2 1 230.355 2.487 20 0 BEADMP [NH3+][C@H]1CCC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000041027712 636951043 /nfs/dbraw/zinc/95/10/43/636951043.db2.gz KLMUQWHZPDMFFJ-ZFWWWQNUSA-N 2 1 230.355 2.487 20 0 BEADMP CCCCCC[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000041043328 636954602 /nfs/dbraw/zinc/95/46/02/636954602.db2.gz MDXOIWYAGHUEKA-ZDUSSCGKSA-N 2 1 212.381 2.498 20 0 BEADMP CCO[C@@H](C[NH2+][C@H](C)CC1CCC1)C[NH+](C)C ZINC000926962785 636972662 /nfs/dbraw/zinc/97/26/62/636972662.db2.gz MVCKSKIEQRIYBD-OCCSQVGLSA-N 2 1 242.407 2.121 20 0 BEADMP C1=C[C@@H]2CC[C@H]1C[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000924650070 636973553 /nfs/dbraw/zinc/97/35/53/636973553.db2.gz POUNTDNKBLZQFX-TTZDDIAXSA-N 2 1 246.398 2.415 20 0 BEADMP CCO[C@@H](C[NH2+][C@@H]1CCCC1(C)C)C[NH+](C)C ZINC000926966206 636978394 /nfs/dbraw/zinc/97/83/94/636978394.db2.gz VZHRMWPXWCRTMC-QWHCGFSZSA-N 2 1 242.407 2.121 20 0 BEADMP CCO[C@H](C[NH2+][C@H](CC)C1CCC1)C[NH+](C)C ZINC000926964957 636978565 /nfs/dbraw/zinc/97/85/65/636978565.db2.gz YSANRMIMUYCMSK-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@]12C[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000904462490 637405904 /nfs/dbraw/zinc/40/59/04/637405904.db2.gz KMVCDOQGPGXLEF-JRULLXGZSA-N 2 1 234.387 2.092 20 0 BEADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC1(C)C)c1ccccc1 ZINC000904464279 637409342 /nfs/dbraw/zinc/40/93/42/637409342.db2.gz XWLBQWPHCJFOMN-TZMCWYRMSA-N 2 1 232.371 2.378 20 0 BEADMP [NH3+]C1(C[NH2+]CCC2CCCCCC2)CC1 ZINC000904441905 637411639 /nfs/dbraw/zinc/41/16/39/637411639.db2.gz ADACVZYKMHIGQY-UHFFFAOYSA-N 2 1 210.365 2.428 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000904449311 637414274 /nfs/dbraw/zinc/41/42/74/637414274.db2.gz IUWSGSXTCXJJAG-UHFFFAOYSA-N 2 1 244.260 2.286 20 0 BEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccccc2OCC2CC2)C1 ZINC000906508057 638180171 /nfs/dbraw/zinc/18/01/71/638180171.db2.gz JMUDFUZFYFGHQL-HDJSIYSDSA-N 2 1 246.354 2.055 20 0 BEADMP CC(C)Oc1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906508586 638181996 /nfs/dbraw/zinc/18/19/96/638181996.db2.gz QTJQPYSQOMRYKM-JOCQHMNTSA-N 2 1 234.343 2.053 20 0 BEADMP [NH3+]C1CC([NH2+]Cc2ccc(C(F)F)c(F)c2)C1 ZINC000906510961 638184188 /nfs/dbraw/zinc/18/41/88/638184188.db2.gz OGSRFOPADRJQOB-UHFFFAOYSA-N 2 1 244.260 2.343 20 0 BEADMP CCc1cccc(Cl)c1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906516986 638186959 /nfs/dbraw/zinc/18/69/59/638186959.db2.gz BDWWTNLEVKQVJF-XYPYZODXSA-N 2 1 238.762 2.482 20 0 BEADMP CCCC[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000906525993 638190243 /nfs/dbraw/zinc/19/02/43/638190243.db2.gz ATQLQRUUFCYQAG-NSHDSACASA-N 2 1 209.337 2.217 20 0 BEADMP CC1CC(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000930601384 639817174 /nfs/dbraw/zinc/81/71/74/639817174.db2.gz HFPMLQFOZNOOPT-YMAMQOFZSA-N 2 1 236.403 2.450 20 0 BEADMP CC1CC(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000930601384 639817175 /nfs/dbraw/zinc/81/71/75/639817175.db2.gz HFPMLQFOZNOOPT-YMAMQOFZSA-N 2 1 236.403 2.450 20 0 BEADMP CC1CC(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000930601384 639817177 /nfs/dbraw/zinc/81/71/77/639817177.db2.gz HFPMLQFOZNOOPT-YMAMQOFZSA-N 2 1 236.403 2.450 20 0 BEADMP C[C@H](C1CC1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000930602257 639817645 /nfs/dbraw/zinc/81/76/45/639817645.db2.gz OLYWYGRYUYLNBP-OCCSQVGLSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H](C1CC1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000930602257 639817646 /nfs/dbraw/zinc/81/76/46/639817646.db2.gz OLYWYGRYUYLNBP-OCCSQVGLSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H](C1CC1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000930602257 639817647 /nfs/dbraw/zinc/81/76/47/639817647.db2.gz OLYWYGRYUYLNBP-OCCSQVGLSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H](C1CC1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000930805015 639911015 /nfs/dbraw/zinc/91/10/15/639911015.db2.gz NLQPZCOVEQODIT-CYBMUJFWSA-N 2 1 245.370 2.392 20 0 BEADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@H]3CCc4ccccc43)C[C@H]21 ZINC000931278085 640128861 /nfs/dbraw/zinc/12/88/61/640128861.db2.gz WZZBLZKPOLDEKW-XUWVNRHRSA-N 2 1 242.366 2.166 20 0 BEADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@H]3CCc4ccccc43)C[C@H]21 ZINC000931278085 640128868 /nfs/dbraw/zinc/12/88/68/640128868.db2.gz WZZBLZKPOLDEKW-XUWVNRHRSA-N 2 1 242.366 2.166 20 0 BEADMP C[C@H](C1CC1)[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931317161 640143430 /nfs/dbraw/zinc/14/34/30/640143430.db2.gz NCYSNCBQMTYIDL-MRVWCRGKSA-N 2 1 222.376 2.059 20 0 BEADMP C[NH+]1C[C@]2(C)C[NH+]([C@H]3C=CCCC3)C[C@@]2(C)C1 ZINC000931310720 640146644 /nfs/dbraw/zinc/14/66/44/640146644.db2.gz MMEUWTRTHTYHIN-RRFJBIMHSA-N 2 1 234.387 2.369 20 0 BEADMP CCCCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931311367 640146939 /nfs/dbraw/zinc/14/69/39/640146939.db2.gz OPJROCNOYBXHCF-ZIAGYGMSSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@H](C)C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931309852 640148096 /nfs/dbraw/zinc/14/80/96/640148096.db2.gz HFYYONGDMCBAFE-IHRRRGAJSA-N 2 1 224.392 2.306 20 0 BEADMP CC[C@H](C)[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931314057 640150579 /nfs/dbraw/zinc/15/05/79/640150579.db2.gz JCVJHOSOEVGWBU-AVGNSLFASA-N 2 1 210.365 2.059 20 0 BEADMP C[C@H](c1cccnc1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433428 640202739 /nfs/dbraw/zinc/20/27/39/640202739.db2.gz BOAKPLVMAMDKDZ-VHDGCEQUSA-N 2 1 245.370 2.026 20 0 BEADMP C[C@H](c1cccnc1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433428 640202747 /nfs/dbraw/zinc/20/27/47/640202747.db2.gz BOAKPLVMAMDKDZ-VHDGCEQUSA-N 2 1 245.370 2.026 20 0 BEADMP C[C@H](c1cccnc1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433428 640202756 /nfs/dbraw/zinc/20/27/56/640202756.db2.gz BOAKPLVMAMDKDZ-VHDGCEQUSA-N 2 1 245.370 2.026 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CCC3CCCC3)C[C@@H]2C1 ZINC000931436939 640203399 /nfs/dbraw/zinc/20/33/99/640203399.db2.gz VMWREQAFAJXSSB-CABCVRRESA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CCC3CCCC3)C[C@@H]2C1 ZINC000931436939 640203400 /nfs/dbraw/zinc/20/34/00/640203400.db2.gz VMWREQAFAJXSSB-CABCVRRESA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2C1 ZINC000931436939 640203406 /nfs/dbraw/zinc/20/34/06/640203406.db2.gz VMWREQAFAJXSSB-CABCVRRESA-N 2 1 236.403 2.450 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CCCC3CCC3)C[C@@H]2C1 ZINC000931441449 640207173 /nfs/dbraw/zinc/20/71/73/640207173.db2.gz IPXJCJBCLJSJAH-CABCVRRESA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CCCC3CCC3)C[C@@H]2C1 ZINC000931441449 640207179 /nfs/dbraw/zinc/20/71/79/640207179.db2.gz IPXJCJBCLJSJAH-CABCVRRESA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCC3CCC3)C[C@@H]2C1 ZINC000931441449 640207186 /nfs/dbraw/zinc/20/71/86/640207186.db2.gz IPXJCJBCLJSJAH-CABCVRRESA-N 2 1 236.403 2.450 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C[C@@H]2C1 ZINC000931441416 640207842 /nfs/dbraw/zinc/20/78/42/640207842.db2.gz HQTCRPQVXYEJBX-SUJAAXHWSA-N 2 1 248.414 2.306 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C[C@@H]2C1 ZINC000931441416 640207849 /nfs/dbraw/zinc/20/78/49/640207849.db2.gz HQTCRPQVXYEJBX-SUJAAXHWSA-N 2 1 248.414 2.306 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C[C@@H]2C1 ZINC000931441416 640207855 /nfs/dbraw/zinc/20/78/55/640207855.db2.gz HQTCRPQVXYEJBX-SUJAAXHWSA-N 2 1 248.414 2.306 20 0 BEADMP CC[C@H](C)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931513276 640242946 /nfs/dbraw/zinc/24/29/46/640242946.db2.gz UMOCIEIYOSHJAX-JTQLQIEISA-N 2 1 219.332 2.068 20 0 BEADMP CC[C@H](C)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931513276 640242949 /nfs/dbraw/zinc/24/29/49/640242949.db2.gz UMOCIEIYOSHJAX-JTQLQIEISA-N 2 1 219.332 2.068 20 0 BEADMP CCC[C@H](C)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517441 640246778 /nfs/dbraw/zinc/24/67/78/640246778.db2.gz ITUDOCSORUCLRM-JTQLQIEISA-N 2 1 219.332 2.211 20 0 BEADMP CCC[C@H](C)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517441 640246784 /nfs/dbraw/zinc/24/67/84/640246784.db2.gz ITUDOCSORUCLRM-JTQLQIEISA-N 2 1 219.332 2.211 20 0 BEADMP Nc1cc[nH+]c2c1C[N@H+](CCCC1CC1)CC2 ZINC000931516172 640247345 /nfs/dbraw/zinc/24/73/45/640247345.db2.gz IUVZTUSUVCTZHK-UHFFFAOYSA-N 2 1 231.343 2.212 20 0 BEADMP Nc1cc[nH+]c2c1C[N@@H+](CCCC1CC1)CC2 ZINC000931516172 640247348 /nfs/dbraw/zinc/24/73/48/640247348.db2.gz IUVZTUSUVCTZHK-UHFFFAOYSA-N 2 1 231.343 2.212 20 0 BEADMP CC[N@H+](CC[NH2+]CC(C)(C)C)C(C)C ZINC000163825763 640418897 /nfs/dbraw/zinc/41/88/97/640418897.db2.gz RYFIXPJIPCDAMB-UHFFFAOYSA-N 2 1 200.370 2.352 20 0 BEADMP CC[N@@H+](CC[NH2+]CC(C)(C)C)C(C)C ZINC000163825763 640418900 /nfs/dbraw/zinc/41/89/00/640418900.db2.gz RYFIXPJIPCDAMB-UHFFFAOYSA-N 2 1 200.370 2.352 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000223932914 640594031 /nfs/dbraw/zinc/59/40/31/640594031.db2.gz OCIMHMAJFFCUSX-RFQIPJPRSA-N 2 1 224.392 2.352 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)SC)[C@@H](C)C1 ZINC000224403054 640615444 /nfs/dbraw/zinc/61/54/44/640615444.db2.gz GREXUTXZCBMEMX-NWDGAFQWSA-N 2 1 244.448 2.448 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](CCCCCF)C[C@]2(C)C1 ZINC000933732367 640754886 /nfs/dbraw/zinc/75/48/86/640754886.db2.gz PDLNEYWABVJGJC-OLZOCXBDSA-N 2 1 228.355 2.010 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000226592279 640779223 /nfs/dbraw/zinc/77/92/23/640779223.db2.gz OJQJDQXGRIUKTB-RFGFWPKPSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1C ZINC000717951702 711492804 /nfs/dbraw/zinc/49/28/04/711492804.db2.gz JDPFGPJVSKQTER-RVMXOQNASA-N 2 1 210.365 2.234 20 0 BEADMP C([C@H]1CCC[NH2+]1)[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000227167771 640816498 /nfs/dbraw/zinc/81/64/98/640816498.db2.gz FCBHVLLQMLDUJW-XQQFMLRXSA-N 2 1 208.349 2.003 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000229064979 640919763 /nfs/dbraw/zinc/91/97/63/640919763.db2.gz HGWYNHIXNXPMCB-ZFWWWQNUSA-N 2 1 232.371 2.412 20 0 BEADMP C[C@]1(C[N@H+]2CCSC(C)(C)CC2)CC[NH2+]C1 ZINC000231052902 641131185 /nfs/dbraw/zinc/13/11/85/641131185.db2.gz QGKIBKGZEVZAKE-ZDUSSCGKSA-N 2 1 242.432 2.204 20 0 BEADMP CC[C@H]1CO[C@@H](C)C[N@H+]1CCCCCC[NH3+] ZINC000042452031 641552099 /nfs/dbraw/zinc/55/20/99/641552099.db2.gz VJAPJVZTJPQNLF-STQMWFEESA-N 2 1 228.380 2.005 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2C(C)(C)C2(C)C)CC[N@@H+]1C ZINC000156147121 641596405 /nfs/dbraw/zinc/59/64/05/641596405.db2.gz BESJBNIUUYHNKI-GHMZBOCLSA-N 2 1 224.392 2.493 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2C(C)(C)C2(C)C)CC[N@H+]1C ZINC000156147121 641596410 /nfs/dbraw/zinc/59/64/10/641596410.db2.gz BESJBNIUUYHNKI-GHMZBOCLSA-N 2 1 224.392 2.493 20 0 BEADMP CC1CC(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000929847634 641762286 /nfs/dbraw/zinc/76/22/86/641762286.db2.gz MPNVKGIDIYDWBA-PFSRBDOWSA-N 2 1 236.403 2.449 20 0 BEADMP CC1CC(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000929847634 641762289 /nfs/dbraw/zinc/76/22/89/641762289.db2.gz MPNVKGIDIYDWBA-PFSRBDOWSA-N 2 1 236.403 2.449 20 0 BEADMP CC1CC(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000929847634 641762293 /nfs/dbraw/zinc/76/22/93/641762293.db2.gz MPNVKGIDIYDWBA-PFSRBDOWSA-N 2 1 236.403 2.449 20 0 BEADMP CCCC[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000916838426 641981103 /nfs/dbraw/zinc/98/11/03/641981103.db2.gz BVRFFWRSMYBBQV-UHFFFAOYSA-N 2 1 244.342 2.465 20 0 BEADMP CSC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000154214930 641981920 /nfs/dbraw/zinc/98/19/20/641981920.db2.gz LFTDLDLMKHMDRY-GHMZBOCLSA-N 2 1 230.421 2.200 20 0 BEADMP CC[C@@H](C)C[N@@H+](CC)C[C@@H]1C[NH2+]C[C@H]1C ZINC000233826016 642699432 /nfs/dbraw/zinc/69/94/32/642699432.db2.gz YLWOODJKQSKPET-UPJWGTAASA-N 2 1 212.381 2.210 20 0 BEADMP C(CC1CCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090233284 643077943 /nfs/dbraw/zinc/07/79/43/643077943.db2.gz NVQOWWBZIZOMPD-ZIAGYGMSSA-N 2 1 222.376 2.393 20 0 BEADMP CC[C@H]1COCC[N@H+]1CCCCCCC[NH3+] ZINC000036326907 643144398 /nfs/dbraw/zinc/14/43/98/643144398.db2.gz VFHNVMZAAANIAZ-ZDUSSCGKSA-N 2 1 228.380 2.006 20 0 BEADMP CC[C@@H]1COCC[N@H+]1CCCCCCC[NH3+] ZINC000036326905 643145942 /nfs/dbraw/zinc/14/59/42/643145942.db2.gz VFHNVMZAAANIAZ-CYBMUJFWSA-N 2 1 228.380 2.006 20 0 BEADMP CN(c1cc[nH+]c2cc(Cl)ccc21)C1C[NH2+]C1 ZINC000090290654 643149095 /nfs/dbraw/zinc/14/90/95/643149095.db2.gz ASPRDGLKSQMGEX-UHFFFAOYSA-N 2 1 247.729 2.296 20 0 BEADMP CSCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000183863946 643175335 /nfs/dbraw/zinc/17/53/35/643175335.db2.gz REDXGXCLXMSBSR-YHWZYXNKSA-N 2 1 242.432 2.344 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)Cc1ccsc1 ZINC000082560410 643342944 /nfs/dbraw/zinc/34/29/44/643342944.db2.gz MVSQFOWOHYXAIB-PWSUYJOCSA-N 2 1 224.373 2.035 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)Cc1ccsc1 ZINC000082560410 643342953 /nfs/dbraw/zinc/34/29/53/643342953.db2.gz MVSQFOWOHYXAIB-PWSUYJOCSA-N 2 1 224.373 2.035 20 0 BEADMP Cc1ncsc1C[N@@H+](C)CCCCCC[NH3+] ZINC000082633723 643357443 /nfs/dbraw/zinc/35/74/43/643357443.db2.gz RGWQUOCQSDRYNY-UHFFFAOYSA-N 2 1 241.404 2.402 20 0 BEADMP C[N@H+](CC[NH2+]CC(C)(C)C)C1CCCC1 ZINC000070945359 643395850 /nfs/dbraw/zinc/39/58/50/643395850.db2.gz PILCEKDYNVPNAG-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP C[N@@H+](CC[NH2+]CC(C)(C)C)C1CCCC1 ZINC000070945359 643395855 /nfs/dbraw/zinc/39/58/55/643395855.db2.gz PILCEKDYNVPNAG-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@H]1CC[C@@H](C)[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000084046567 643642963 /nfs/dbraw/zinc/64/29/63/643642963.db2.gz MXNKIBCQPHNFAG-VXGBXAGGSA-N 2 1 210.365 2.249 20 0 BEADMP C[NH2+]CCC[N@@H+](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000846222427 643651925 /nfs/dbraw/zinc/65/19/25/643651925.db2.gz OIEXAJXZUMXAEG-ZIAGYGMSSA-N 2 1 218.344 2.084 20 0 BEADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245129 643656667 /nfs/dbraw/zinc/65/66/67/643656667.db2.gz DQIKBATVYWXJMY-TZMCWYRMSA-N 2 1 218.344 2.418 20 0 BEADMP C[C@H](C[N@H+]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000050245505 643662064 /nfs/dbraw/zinc/66/20/64/643662064.db2.gz AXCCSGLZYHMTOD-CHWSQXEVSA-N 2 1 218.344 2.071 20 0 BEADMP CC(C)[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251451262 643802478 /nfs/dbraw/zinc/80/24/78/643802478.db2.gz XDVGEVPANYXWQM-KGLIPLIRSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000922511882 644009458 /nfs/dbraw/zinc/00/94/58/644009458.db2.gz YARKBIHLBXEMAF-RUZUBIRVSA-N 2 1 245.370 2.282 20 0 BEADMP CCO[C@H](C[NH2+]C1CCC(C)CC1)C[NH+](C)C ZINC000922760206 644090055 /nfs/dbraw/zinc/09/00/55/644090055.db2.gz KLIXUPVBDOPPQP-JXQTWKCFSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000194261423 644311902 /nfs/dbraw/zinc/31/19/02/644311902.db2.gz SGNLVVLKHPCFDX-KGLIPLIRSA-N 2 1 238.375 2.001 20 0 BEADMP CCCCCC[C@H](O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000923294801 644331692 /nfs/dbraw/zinc/33/16/92/644331692.db2.gz QARUHDPJBQURNT-ZDUSSCGKSA-N 2 1 244.423 2.234 20 0 BEADMP C[C@@](C[NH3+])([NH2+]CCc1cccc(F)c1)C1CC1 ZINC000923295792 644333452 /nfs/dbraw/zinc/33/34/52/644333452.db2.gz HMFZCTPSGLHUPG-AWEZNQCLSA-N 2 1 236.334 2.085 20 0 BEADMP c1ccc([C@H]2CCC[N@H+]2CCC[NH2+]C2CC2)nc1 ZINC000923320767 644348928 /nfs/dbraw/zinc/34/89/28/644348928.db2.gz DZAQKMBGSABYGF-OAHLLOKOSA-N 2 1 245.370 2.361 20 0 BEADMP c1ccc([C@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)nc1 ZINC000923320767 644348934 /nfs/dbraw/zinc/34/89/34/644348934.db2.gz DZAQKMBGSABYGF-OAHLLOKOSA-N 2 1 245.370 2.361 20 0 BEADMP CCCCCC[C@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000923367249 644377445 /nfs/dbraw/zinc/37/74/45/644377445.db2.gz DRCGRCFVOQQYEG-QWHCGFSZSA-N 2 1 244.423 2.281 20 0 BEADMP Fc1cccc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000923397765 644404502 /nfs/dbraw/zinc/40/45/02/644404502.db2.gz DIIPJPSGUNQJOZ-AWEZNQCLSA-N 2 1 248.345 2.242 20 0 BEADMP FC1(F)C[C@H]2CC[C@@H](C1)[N@H+]2CCC[NH2+]C1CC1 ZINC000923399310 644405075 /nfs/dbraw/zinc/40/50/75/644405075.db2.gz PVEWJBKORNTEPY-TXEJJXNPSA-N 2 1 244.329 2.391 20 0 BEADMP FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2CCC[NH2+]C1CC1 ZINC000923399310 644405077 /nfs/dbraw/zinc/40/50/77/644405077.db2.gz PVEWJBKORNTEPY-TXEJJXNPSA-N 2 1 244.329 2.391 20 0 BEADMP C(C[NH2+]C1CC1)C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000083700365 644406930 /nfs/dbraw/zinc/40/69/30/644406930.db2.gz SAQRORBVPUHVOC-GXTWGEPZSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CC1CCC2(CC2)CC1 ZINC000923411285 644415172 /nfs/dbraw/zinc/41/51/72/644415172.db2.gz BZSHAZHMAKUXQQ-YPMHNXCESA-N 2 1 222.376 2.378 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CC1CCC2(CC2)CC1 ZINC000923411285 644415173 /nfs/dbraw/zinc/41/51/73/644415173.db2.gz BZSHAZHMAKUXQQ-YPMHNXCESA-N 2 1 222.376 2.378 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923454322 644443615 /nfs/dbraw/zinc/44/36/15/644443615.db2.gz GOTHZYNNRPPINK-QKGCVVFFSA-N 2 1 234.387 2.106 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923454322 644443618 /nfs/dbraw/zinc/44/36/18/644443618.db2.gz GOTHZYNNRPPINK-QKGCVVFFSA-N 2 1 234.387 2.106 20 0 BEADMP C[C@H]1C[N@@H+](CCCCCF)CC[C@@H]1C[NH3+] ZINC000923495299 644463243 /nfs/dbraw/zinc/46/32/43/644463243.db2.gz BGEOUJUQBIWVCF-NWDGAFQWSA-N 2 1 216.344 2.043 20 0 BEADMP C[C@H]1C[N@@H+](CCCC(C)(F)F)CC[C@@H]1C[NH3+] ZINC000923490525 644464516 /nfs/dbraw/zinc/46/45/16/644464516.db2.gz DFJJVZFHTRINEH-WDEREUQCSA-N 2 1 234.334 2.339 20 0 BEADMP CCc1ccc(CC[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923491202 644464745 /nfs/dbraw/zinc/46/47/45/644464745.db2.gz KZSAVEMTYYHFEX-MRXNPFEDSA-N 2 1 246.398 2.462 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923498724 644472701 /nfs/dbraw/zinc/47/27/01/644472701.db2.gz JJDHUWYLLHNXIQ-ZFWWWQNUSA-N 2 1 232.371 2.412 20 0 BEADMP COc1cccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923498549 644473162 /nfs/dbraw/zinc/47/31/62/644473162.db2.gz OTXWEAPOSASSOA-GXTWGEPZSA-N 2 1 248.370 2.112 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923499597 644473475 /nfs/dbraw/zinc/47/34/75/644473475.db2.gz TWWMEEUONJVDHO-GXTWGEPZSA-N 2 1 248.370 2.112 20 0 BEADMP Cc1ccc(CC[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923498337 644473616 /nfs/dbraw/zinc/47/36/16/644473616.db2.gz OEQOSNWYPHSVLZ-HOCLYGCPSA-N 2 1 246.398 2.454 20 0 BEADMP C[C@H]1C[N@@H+](Cc2cccc(F)c2)CC[C@@H]1C[NH3+] ZINC000923498340 644473629 /nfs/dbraw/zinc/47/36/29/644473629.db2.gz HICJHAOKZXJCIE-WCQYABFASA-N 2 1 236.334 2.242 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccccc2F)CC[C@H]1C[NH3+] ZINC000923504200 644475177 /nfs/dbraw/zinc/47/51/77/644475177.db2.gz PWNHQOLPDZCBNO-NEPJUHHUSA-N 2 1 236.334 2.242 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccc(F)cc2)CC[C@H]1C[NH3+] ZINC000923503677 644477006 /nfs/dbraw/zinc/47/70/06/644477006.db2.gz KTUJCNZISMZDIP-AAEUAGOBSA-N 2 1 236.334 2.242 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccc(F)cc2)CC[C@@H]1C[NH3+] ZINC000923503679 644477780 /nfs/dbraw/zinc/47/77/80/644477780.db2.gz KTUJCNZISMZDIP-WCQYABFASA-N 2 1 236.334 2.242 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923521428 644482575 /nfs/dbraw/zinc/48/25/75/644482575.db2.gz UAEUXYYFTDKJAN-JKSUJKDBSA-N 2 1 244.382 2.345 20 0 BEADMP CC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923534210 644490633 /nfs/dbraw/zinc/49/06/33/644490633.db2.gz RNVGWFNPDIKXFZ-OLZOCXBDSA-N 2 1 210.365 2.251 20 0 BEADMP C[NH2+]CCC[N@@H+](CCc1ccccc1)C1CC1 ZINC000923554727 644498736 /nfs/dbraw/zinc/49/87/36/644498736.db2.gz OPDCCAGEUMJCEC-UHFFFAOYSA-N 2 1 232.371 2.303 20 0 BEADMP Cc1cc(N[C@H]2CCCC[C@@H]2C[NH3+])nc(C)[nH+]1 ZINC000089108714 644533629 /nfs/dbraw/zinc/53/36/29/644533629.db2.gz AVCPDMPUIHVCHR-NEPJUHHUSA-N 2 1 234.347 2.023 20 0 BEADMP Cc1cccc(C[N@@H+](C)CC[C@H]2CC[NH2+]C2)c1 ZINC000089749186 644565470 /nfs/dbraw/zinc/56/54/70/644565470.db2.gz UBJLARHAKPHPCW-CQSZACIVSA-N 2 1 232.371 2.426 20 0 BEADMP C[N@@H+](CC1CC[NH+](C)CC1)CC(C)(C)C ZINC000093089346 644676406 /nfs/dbraw/zinc/67/64/06/644676406.db2.gz PKELQJILPSZPIT-UHFFFAOYSA-N 2 1 212.381 2.306 20 0 BEADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1ccccn1 ZINC000093462544 644692215 /nfs/dbraw/zinc/69/22/15/644692215.db2.gz MVKFBWYUMQVBAA-AGIUHOORSA-N 2 1 233.359 2.263 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCC=CO2)C1 ZINC000249035451 644709576 /nfs/dbraw/zinc/70/95/76/644709576.db2.gz SGNLVVLKHPCFDX-ZIAGYGMSSA-N 2 1 238.375 2.001 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000793241800 644801981 /nfs/dbraw/zinc/80/19/81/644801981.db2.gz XVQSRTDFIBTDLH-MCIONIFRSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1C[N@@H+](CCc2cccc(F)c2)CC[C@H]1[NH3+] ZINC000251913655 644830972 /nfs/dbraw/zinc/83/09/72/644830972.db2.gz XJIIIDAGCBVIMP-BXUZGUMPSA-N 2 1 236.334 2.037 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C[C@H]1C ZINC000253068704 644933597 /nfs/dbraw/zinc/93/35/97/644933597.db2.gz KZPNGGIIRSSJII-MGPQQGTHSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253193905 644944179 /nfs/dbraw/zinc/94/41/79/644944179.db2.gz PGNPCXMABTXDFZ-FRRDWIJNSA-N 2 1 233.359 2.059 20 0 BEADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ncco1 ZINC000926573389 645292301 /nfs/dbraw/zinc/29/23/01/645292301.db2.gz MFYUWURBPRLIMV-NEPJUHHUSA-N 2 1 237.347 2.057 20 0 BEADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ncco1 ZINC000926573389 645292308 /nfs/dbraw/zinc/29/23/08/645292308.db2.gz MFYUWURBPRLIMV-NEPJUHHUSA-N 2 1 237.347 2.057 20 0 BEADMP CC[C@@H](C)CC[NH2+][C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926682643 645355147 /nfs/dbraw/zinc/35/51/47/645355147.db2.gz CUSBQYSXQWEXSD-AGIUHOORSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H](C)CC[NH2+][C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926682643 645355153 /nfs/dbraw/zinc/35/51/53/645355153.db2.gz CUSBQYSXQWEXSD-AGIUHOORSA-N 2 1 210.365 2.106 20 0 BEADMP CCO[C@H](C[NH2+][C@@H](C)C1CCCC1)C[NH+](C)C ZINC000926965456 645500447 /nfs/dbraw/zinc/50/04/47/645500447.db2.gz RQMPOEZMHDCXJM-GXTWGEPZSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCCCO2)CC[N@H+]1C ZINC000927019552 645518003 /nfs/dbraw/zinc/51/80/03/645518003.db2.gz FFHQLBRHPZKCRN-RDBSUJKOSA-N 2 1 240.391 2.018 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CCS[C@@H](C)C2)CC1 ZINC000927033439 645532784 /nfs/dbraw/zinc/53/27/84/645532784.db2.gz SRSZWCXLXKKBEU-AAEUAGOBSA-N 2 1 242.432 2.344 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@]23C[C@H]2CCC3)[C@@H](C)C1 ZINC000927119013 645555420 /nfs/dbraw/zinc/55/54/20/645555420.db2.gz IOLOFGPWTKYOJT-YJNKXOJESA-N 2 1 236.403 2.497 20 0 BEADMP CCCC[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925493801 645719317 /nfs/dbraw/zinc/71/93/17/645719317.db2.gz LZIFZXZZUYEHAZ-WCQYABFASA-N 2 1 206.333 2.465 20 0 BEADMP CCc1cc(N2CC[C@H]3[C@H]2CCC[N@H+]3C)cc[nH+]1 ZINC000872779766 645767698 /nfs/dbraw/zinc/76/76/98/645767698.db2.gz TUCARJRVVRZZLD-LSDHHAIUSA-N 2 1 245.370 2.317 20 0 BEADMP C[C@H](Cc1ccco1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221887462 645894308 /nfs/dbraw/zinc/89/43/08/645894308.db2.gz UFBUHDMHGGVYHC-FRRDWIJNSA-N 2 1 236.359 2.283 20 0 BEADMP C[C@H](Cc1ccco1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221887462 645894312 /nfs/dbraw/zinc/89/43/12/645894312.db2.gz UFBUHDMHGGVYHC-FRRDWIJNSA-N 2 1 236.359 2.283 20 0 BEADMP CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000924532630 646052684 /nfs/dbraw/zinc/05/26/84/646052684.db2.gz XCDMSWVABPVBDO-AGUYFDCRSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]([NH3+])[C@@H](NC[C@@]1(C)CCOC1)c1ccccc1 ZINC000925489469 646298710 /nfs/dbraw/zinc/29/87/10/646298710.db2.gz ZECKEFPINOMOFT-NWANDNLSSA-N 2 1 248.370 2.091 20 0 BEADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1ccccc1 ZINC000925489469 646298712 /nfs/dbraw/zinc/29/87/12/646298712.db2.gz ZECKEFPINOMOFT-NWANDNLSSA-N 2 1 248.370 2.091 20 0 BEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000925490776 646299232 /nfs/dbraw/zinc/29/92/32/646299232.db2.gz OVTRTVVBCCDVPG-GXTWGEPZSA-N 2 1 230.355 2.056 20 0 BEADMP CC(C)C[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925494401 646301383 /nfs/dbraw/zinc/30/13/83/646301383.db2.gz PDMWUIIRIHZGIO-YPMHNXCESA-N 2 1 206.333 2.321 20 0 BEADMP COCCCC[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925560566 646334914 /nfs/dbraw/zinc/33/49/14/646334914.db2.gz ZMNGFUMBILEYAQ-OCCSQVGLSA-N 2 1 236.359 2.091 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)o1 ZINC000925606219 646357091 /nfs/dbraw/zinc/35/70/91/646357091.db2.gz MGDDDLMUJXPNDX-CQSZACIVSA-N 2 1 248.370 2.395 20 0 BEADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925609325 646358025 /nfs/dbraw/zinc/35/80/25/646358025.db2.gz SKGWEFFJKVNQRI-LALPHHSUSA-N 2 1 248.370 2.053 20 0 BEADMP Cc1ccsc1CC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925628928 646373776 /nfs/dbraw/zinc/37/37/76/646373776.db2.gz HOQKPXXCFAWYOJ-NWDGAFQWSA-N 2 1 238.400 2.329 20 0 BEADMP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@H]1CCCCS1 ZINC000925636575 646375121 /nfs/dbraw/zinc/37/51/21/646375121.db2.gz YFPAHNUKKVNKGQ-VXGBXAGGSA-N 2 1 240.416 2.146 20 0 BEADMP CS[C@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)C(C)(C)C ZINC000925637741 646380163 /nfs/dbraw/zinc/38/01/63/646380163.db2.gz QWPBZPVLUFSIRP-IJLUTSLNSA-N 2 1 244.448 2.494 20 0 BEADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925694922 646419991 /nfs/dbraw/zinc/41/99/91/646419991.db2.gz VAAZLKINNVNBJF-ZDEQEGDKSA-N 2 1 210.365 2.009 20 0 BEADMP CC1(C)[C@@H](C[NH2+][C@@H]2CC[NH2+]C2(C)C)C1(F)F ZINC000925704202 646427337 /nfs/dbraw/zinc/42/73/37/646427337.db2.gz CJOLHHNAQTZIID-RKDXNWHRSA-N 2 1 232.318 2.008 20 0 BEADMP CSCC1(CC[NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925705746 646430823 /nfs/dbraw/zinc/43/08/23/646430823.db2.gz LGHQRJZIJBDMLZ-NEPJUHHUSA-N 2 1 242.432 2.250 20 0 BEADMP CO[C@H]1C[C@@H](C[NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])C1 ZINC000925717424 646442548 /nfs/dbraw/zinc/44/25/48/646442548.db2.gz GGSGAWWFUCDFCO-UXOAXIEHSA-N 2 1 248.370 2.090 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@]1(C)CC1(C)C ZINC000925733564 646451498 /nfs/dbraw/zinc/45/14/98/646451498.db2.gz JYWNLQWFOXRHRS-WZRBSPASSA-N 2 1 210.365 2.010 20 0 BEADMP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c(Cl)n1 ZINC000925763835 646465820 /nfs/dbraw/zinc/46/58/20/646465820.db2.gz FGFMWAYPQZJQHD-WPRPVWTQSA-N 2 1 241.766 2.259 20 0 BEADMP C[C@@H]1CC[C@@H](C)C1[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000925814732 646492486 /nfs/dbraw/zinc/49/24/86/646492486.db2.gz PHFPRWWGSSKXTD-IJLUTSLNSA-N 2 1 233.359 2.222 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1CCC=CCC1 ZINC000925880077 646529938 /nfs/dbraw/zinc/52/99/38/646529938.db2.gz HOUWTKHTYMHFIC-GXTWGEPZSA-N 2 1 222.376 2.320 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@@H](C1CC1)C(C)(C)C ZINC000926204042 646594389 /nfs/dbraw/zinc/59/43/89/646594389.db2.gz QIFDASYFDIEYPK-ZDUSSCGKSA-N 2 1 235.375 2.377 20 0 BEADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926355741 646624683 /nfs/dbraw/zinc/62/46/83/646624683.db2.gz RYWFQUQWKXPICA-MQYQWHSLSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926355741 646624686 /nfs/dbraw/zinc/62/46/86/646624686.db2.gz RYWFQUQWKXPICA-MQYQWHSLSA-N 2 1 222.376 2.106 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)C(C)(C)CO ZINC000926456517 646644420 /nfs/dbraw/zinc/64/44/20/646644420.db2.gz IWEJDWZDDGAKIQ-OLZOCXBDSA-N 2 1 244.423 2.103 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)C(C)(C)CO ZINC000926456517 646644423 /nfs/dbraw/zinc/64/44/23/646644423.db2.gz IWEJDWZDDGAKIQ-OLZOCXBDSA-N 2 1 244.423 2.103 20 0 BEADMP CC(C)OC[C@@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000337340786 711774731 /nfs/dbraw/zinc/77/47/31/711774731.db2.gz PSRDNUNGASUZIF-HZSPNIEDSA-N 2 1 240.391 2.016 20 0 BEADMP CC(C)OC[C@@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000337340786 711774732 /nfs/dbraw/zinc/77/47/32/711774732.db2.gz PSRDNUNGASUZIF-HZSPNIEDSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1(Cl)CC1 ZINC000700807817 711852483 /nfs/dbraw/zinc/85/24/83/711852483.db2.gz DTQDNPZOADJTOQ-VXGBXAGGSA-N 2 1 244.810 2.468 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCSC2)CC[N@H+]1C ZINC000704789762 712117118 /nfs/dbraw/zinc/11/71/18/712117118.db2.gz HROPLSPMRSBFAK-FRRDWIJNSA-N 2 1 242.432 2.202 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC000708334754 712188437 /nfs/dbraw/zinc/18/84/37/712188437.db2.gz AHFNBHAANXHZAI-QWHCGFSZSA-N 2 1 242.407 2.107 20 0 BEADMP CCC[C@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000708440364 712195175 /nfs/dbraw/zinc/19/51/75/712195175.db2.gz JXVRJFXEUNEQRW-QWRGUYRKSA-N 2 1 234.334 2.481 20 0 BEADMP CCC[C@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000708440364 712195176 /nfs/dbraw/zinc/19/51/76/712195176.db2.gz JXVRJFXEUNEQRW-QWRGUYRKSA-N 2 1 234.334 2.481 20 0 BEADMP C[C@@H]([NH3+])[C@H]1C[N@H+](C[C@@H](C)CC(C)(C)C)CCO1 ZINC000709154267 712210584 /nfs/dbraw/zinc/21/05/84/712210584.db2.gz UXIOQEPYHHSUJC-YNEHKIRRSA-N 2 1 242.407 2.107 20 0 BEADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](C[C@@H](C)CC(C)(C)C)CCO1 ZINC000709154267 712210589 /nfs/dbraw/zinc/21/05/89/712210589.db2.gz UXIOQEPYHHSUJC-YNEHKIRRSA-N 2 1 242.407 2.107 20 0 BEADMP C[N@@H+](C[C@H]1CC(C)(C)OC1(C)C)C1CC([NH3+])C1 ZINC000709702367 712216118 /nfs/dbraw/zinc/21/61/18/712216118.db2.gz MZSVBXPEYHYKGS-VOMCLLRMSA-N 2 1 240.391 2.002 20 0 BEADMP FC[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000711442778 712301026 /nfs/dbraw/zinc/30/10/26/712301026.db2.gz JNHYNIUMURYHCL-CYBMUJFWSA-N 2 1 228.355 2.058 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712672459 712440424 /nfs/dbraw/zinc/44/04/24/712440424.db2.gz ICCCPZAGGNXURS-GHYVTOPFSA-N 2 1 222.376 2.153 20 0 BEADMP CC[C@@H](C)C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713173125 712453367 /nfs/dbraw/zinc/45/33/67/712453367.db2.gz DIMSASNJUCGBDD-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP CCCCOCC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713159216 712453532 /nfs/dbraw/zinc/45/35/32/712453532.db2.gz SSMGXRXGIMHHDH-UHFFFAOYSA-N 2 1 240.391 2.021 20 0 BEADMP CCCCOCC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713159216 712453534 /nfs/dbraw/zinc/45/35/34/712453534.db2.gz SSMGXRXGIMHHDH-UHFFFAOYSA-N 2 1 240.391 2.021 20 0 BEADMP C=C/C=C/CC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000713700484 712469577 /nfs/dbraw/zinc/46/95/77/712469577.db2.gz CENYBCZWMXCIQY-WWKJKZQJSA-N 2 1 208.349 2.178 20 0 BEADMP CC1(C)CCC[C@@H](C[N@H+]2CC[C@@H](CC[NH3+])C2)O1 ZINC000714339379 712482619 /nfs/dbraw/zinc/48/26/19/712482619.db2.gz SHVLJHFDPXOIEG-OLZOCXBDSA-N 2 1 240.391 2.005 20 0 BEADMP CC[C@@H](C)C[N@@H+](C)CCCCCC[NH3+] ZINC000037173546 712550229 /nfs/dbraw/zinc/55/02/29/712550229.db2.gz VNIPDNIMUSTPCB-GFCCVEGCSA-N 2 1 200.370 2.483 20 0 BEADMP C[C@H]1CCCCC[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000379989579 712644495 /nfs/dbraw/zinc/64/44/95/712644495.db2.gz WTQUXDIAJIKJDA-UWVGGRQHSA-N 2 1 220.307 2.233 20 0 BEADMP C[C@H]1CCCCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000379989579 712644496 /nfs/dbraw/zinc/64/44/96/712644496.db2.gz WTQUXDIAJIKJDA-UWVGGRQHSA-N 2 1 220.307 2.233 20 0 BEADMP CC(C)[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037485324 712650718 /nfs/dbraw/zinc/65/07/18/712650718.db2.gz SIBOLWGNPWOXSP-RYUDHWBXSA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037485326 712650887 /nfs/dbraw/zinc/65/08/87/712650887.db2.gz SIBOLWGNPWOXSP-NWDGAFQWSA-N 2 1 210.365 2.105 20 0 BEADMP CSCC[C@@H](C)[N@H+](C)C[C@H]([NH3+])CC(F)F ZINC000389676462 712689738 /nfs/dbraw/zinc/68/97/38/712689738.db2.gz CNOYPELEAQNNAW-RKDXNWHRSA-N 2 1 240.363 2.042 20 0 BEADMP CSCC[C@@H](C)[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000389676462 712689741 /nfs/dbraw/zinc/68/97/41/712689741.db2.gz CNOYPELEAQNNAW-RKDXNWHRSA-N 2 1 240.363 2.042 20 0 BEADMP CC(F)(F)CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000718571335 712775069 /nfs/dbraw/zinc/77/50/69/712775069.db2.gz MYEXYWJTICATEZ-MNOVXSKESA-N 2 1 232.318 2.106 20 0 BEADMP COCC(C)(C)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000718662706 712776572 /nfs/dbraw/zinc/77/65/72/712776572.db2.gz AOJCHHBGBCNLRM-OLZOCXBDSA-N 2 1 242.407 2.121 20 0 BEADMP CCCCC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720809505 712866943 /nfs/dbraw/zinc/86/69/43/712866943.db2.gz ZVYWWTYZEJTZFG-UWVGGRQHSA-N 2 1 238.297 2.246 20 0 BEADMP CCC(CC)C[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000720905481 712876917 /nfs/dbraw/zinc/87/69/17/712876917.db2.gz YVLJQBCAOGWBMU-QWHCGFSZSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H](C)C2)C[C@H]1[NH3+] ZINC000723469763 710727877 /nfs/dbraw/zinc/72/78/77/710727877.db2.gz IALMBPNPHJGOON-UMSGYPCISA-N 2 1 210.365 2.092 20 0 BEADMP C[C@@H]1C[C@H](C)CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000723808554 710729713 /nfs/dbraw/zinc/72/97/13/710729713.db2.gz LARNAIMKZFOVRQ-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000382099360 710776083 /nfs/dbraw/zinc/77/60/83/710776083.db2.gz BEMFWOOQCJTESA-STQMWFEESA-N 2 1 242.432 2.204 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCC1CCCC1 ZINC000396717304 710907624 /nfs/dbraw/zinc/90/76/24/710907624.db2.gz RTZZETOJAYJVIT-YPMHNXCESA-N 2 1 210.365 2.297 20 0 BEADMP CC(C)(C)[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000380612376 712901755 /nfs/dbraw/zinc/90/17/55/712901755.db2.gz YMTHLMKMMAUMHQ-NXEZZACHSA-N 2 1 234.334 2.337 20 0 BEADMP CCC[N@H+](CC(F)F)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000386404079 711029436 /nfs/dbraw/zinc/02/94/36/711029436.db2.gz MFDUNXRZVAWGAS-ZJUUUORDSA-N 2 1 220.307 2.091 20 0 BEADMP CCC[N@@H+](CC(F)F)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000386404079 711029441 /nfs/dbraw/zinc/02/94/41/711029441.db2.gz MFDUNXRZVAWGAS-ZJUUUORDSA-N 2 1 220.307 2.091 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@H]1C ZINC000389869002 711093439 /nfs/dbraw/zinc/09/34/39/711093439.db2.gz IIDFIMMUBBCNDG-FRRDWIJNSA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@H]1C ZINC000389869002 711093440 /nfs/dbraw/zinc/09/34/40/711093440.db2.gz IIDFIMMUBBCNDG-FRRDWIJNSA-N 2 1 212.381 2.495 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000392249312 711143708 /nfs/dbraw/zinc/14/37/08/711143708.db2.gz UCBAKWCEUFXHQO-PESDSKBTSA-N 2 1 234.387 2.417 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000394125285 711185179 /nfs/dbraw/zinc/18/51/79/711185179.db2.gz BJFOHZGEMGXAJR-ZVDSWSACSA-N 2 1 242.366 2.081 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCCC2CC2)C1 ZINC000394570136 711195513 /nfs/dbraw/zinc/19/55/13/711195513.db2.gz PQGKZNXIUAZUQK-YPMHNXCESA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCc1ccccc1 ZINC000396552653 711352975 /nfs/dbraw/zinc/35/29/75/711352975.db2.gz PHEQUDJHQQWQSG-UKRRQHHQSA-N 2 1 232.371 2.349 20 0 BEADMP CCC1(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)CCC1 ZINC000396638435 711355806 /nfs/dbraw/zinc/35/58/06/711355806.db2.gz AMJMHTPWXQKBLL-NEPJUHHUSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000396613903 711356448 /nfs/dbraw/zinc/35/64/48/711356448.db2.gz KYPBIISCIZTRPQ-ONGXEEELSA-N 2 1 232.318 2.294 20 0 BEADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000396639695 711356648 /nfs/dbraw/zinc/35/66/48/711356648.db2.gz ASLQSMCBKMZZBS-MROQNXINSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000396589143 711356740 /nfs/dbraw/zinc/35/67/40/711356740.db2.gz BLYKYBIXJRVIBE-SDDRHHMPSA-N 2 1 208.349 2.049 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccsc1 ZINC000396592439 711359149 /nfs/dbraw/zinc/35/91/49/711359149.db2.gz UFTDPAXSQGAJDH-CMPLNLGQSA-N 2 1 224.373 2.021 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccsc1 ZINC000396592443 711359387 /nfs/dbraw/zinc/35/93/87/711359387.db2.gz UFTDPAXSQGAJDH-PWSUYJOCSA-N 2 1 224.373 2.021 20 0 BEADMP C[NH2+]CCC[N@@H+](C)CC[C@H]1CC1(Cl)Cl ZINC000399262835 711426258 /nfs/dbraw/zinc/42/62/58/711426258.db2.gz PQMUJGDFTHYXPC-VIFPVBQESA-N 2 1 239.190 2.112 20 0 BEADMP CC[C@@]1(C)CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000399397599 711429190 /nfs/dbraw/zinc/42/91/90/711429190.db2.gz MVWUFKDADZVNJW-ONGXEEELSA-N 2 1 220.307 2.091 20 0 BEADMP CC[C@@]1(C)CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000399397599 711429191 /nfs/dbraw/zinc/42/91/91/711429191.db2.gz MVWUFKDADZVNJW-ONGXEEELSA-N 2 1 220.307 2.091 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCCC2CC2)C1 ZINC000394570134 711195143 /nfs/dbraw/zinc/19/51/43/711195143.db2.gz PQGKZNXIUAZUQK-WCQYABFASA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCCC2CC2)C1 ZINC000394570132 711195255 /nfs/dbraw/zinc/19/52/55/711195255.db2.gz PQGKZNXIUAZUQK-AAEUAGOBSA-N 2 1 210.365 2.236 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](CCSc2ccccc2)C1 ZINC000050249344 711493804 /nfs/dbraw/zinc/49/38/04/711493804.db2.gz UKEZDFJHILYANW-GFCCVEGCSA-N 2 1 236.384 2.059 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000723106502 711504274 /nfs/dbraw/zinc/50/42/74/711504274.db2.gz MOFQPXWZTMTOCU-RDBSUJKOSA-N 2 1 222.376 2.108 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000723126400 711506567 /nfs/dbraw/zinc/50/65/67/711506567.db2.gz JDTBEXNKZSKIJI-HTOAHKCRSA-N 2 1 222.376 2.092 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000723126401 711506573 /nfs/dbraw/zinc/50/65/73/711506573.db2.gz JDTBEXNKZSKIJI-IKOXMDCHSA-N 2 1 222.376 2.092 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)ccc1F ZINC000723669547 711533546 /nfs/dbraw/zinc/53/35/46/711533546.db2.gz JKAUGJXVIBUSBB-GFCCVEGCSA-N 2 1 236.334 2.305 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C)cc(C)n2)C1 ZINC000723846784 711539150 /nfs/dbraw/zinc/53/91/50/711539150.db2.gz YYYYYAFAZAKICR-CQSZACIVSA-N 2 1 247.386 2.130 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(C)cc(C)n2)C1 ZINC000723846784 711539151 /nfs/dbraw/zinc/53/91/51/711539151.db2.gz YYYYYAFAZAKICR-CQSZACIVSA-N 2 1 247.386 2.130 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2CCCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000723862702 711539787 /nfs/dbraw/zinc/53/97/87/711539787.db2.gz QSJAIXGKHHEXPK-REWJHTLYSA-N 2 1 224.392 2.339 20 0 BEADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1CC[NH3+] ZINC000723902418 711544805 /nfs/dbraw/zinc/54/48/05/711544805.db2.gz XSADRHDVJBNZTE-VXGBXAGGSA-N 2 1 212.381 2.339 20 0 BEADMP C[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1CC[NH3+] ZINC000723909740 711545198 /nfs/dbraw/zinc/54/51/98/711545198.db2.gz PZUZEZIJOCBCHZ-VXGBXAGGSA-N 2 1 238.400 2.207 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1CC[NH3+] ZINC000723910277 711545244 /nfs/dbraw/zinc/54/52/44/711545244.db2.gz YYECPUXEKCOTOG-VXGBXAGGSA-N 2 1 236.334 2.242 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCC2CC=CC2)CC[N@H+]1C ZINC000724184474 711567107 /nfs/dbraw/zinc/56/71/07/711567107.db2.gz IXZAAVISTJCOKR-OCCSQVGLSA-N 2 1 222.376 2.415 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccccc1F ZINC000396539641 711701666 /nfs/dbraw/zinc/70/16/66/711701666.db2.gz ACEJQUKJAVSSPS-BXUZGUMPSA-N 2 1 236.334 2.098 20 0 BEADMP CC[C@@H](C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140817 711727878 /nfs/dbraw/zinc/72/78/78/711727878.db2.gz IIRYHEGZSQVELV-LLVKDONJSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)(C)CC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037904458 711755003 /nfs/dbraw/zinc/75/50/03/711755003.db2.gz LKGKXUMZAJWBFS-LBPRGKRZSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3CCCC[C@@H]32)CC1 ZINC000895234084 711780071 /nfs/dbraw/zinc/78/00/71/711780071.db2.gz DJQCMSWEQSYFJX-KBPBESRZSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@]1(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)CCC[NH2+]C1 ZINC000382942934 711834552 /nfs/dbraw/zinc/83/45/52/711834552.db2.gz JOESDMIVUSTGTC-ZNMIVQPWSA-N 2 1 234.387 2.274 20 0 BEADMP CC(C)OCCC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000382960790 711865792 /nfs/dbraw/zinc/86/57/92/711865792.db2.gz OKRRPLHAYUINAI-UHFFFAOYSA-N 2 1 228.380 2.003 20 0 BEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCc1cccs1 ZINC000069721206 711893355 /nfs/dbraw/zinc/89/33/55/711893355.db2.gz HWOBIDWYDQEPSB-LBPRGKRZSA-N 2 1 238.400 2.494 20 0 BEADMP C[N@@H+](C[C@@H]1CCCC[NH2+]C1)C1CCCC1 ZINC000700256729 711989354 /nfs/dbraw/zinc/98/93/54/711989354.db2.gz JHHDFOUQTFRSII-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1(Cl)CC1 ZINC000700807807 712006322 /nfs/dbraw/zinc/00/63/22/712006322.db2.gz DTQDNPZOADJTOQ-NEPJUHHUSA-N 2 1 244.810 2.468 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@]1(C)CC1(C)C ZINC000701943823 712032506 /nfs/dbraw/zinc/03/25/06/712032506.db2.gz LPQWDNSXZOUIJP-LOWVWBTDSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@]1(C)CC1(C)C ZINC000701943817 712032809 /nfs/dbraw/zinc/03/28/09/712032809.db2.gz LPQWDNSXZOUIJP-DMDPSCGWSA-N 2 1 210.365 2.153 20 0 BEADMP CCC(C)(C)CC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702121926 712039559 /nfs/dbraw/zinc/03/95/59/712039559.db2.gz WIXRDMRSROMOSI-GXTWGEPZSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC1CCCCCC1)C2 ZINC000703564212 712080365 /nfs/dbraw/zinc/08/03/65/712080365.db2.gz JEMMFPUNLMZKEX-LSDHHAIUSA-N 2 1 236.403 2.498 20 0 BEADMP CSC1CC([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000706927266 712161952 /nfs/dbraw/zinc/16/19/52/712161952.db2.gz GCWBJECOCRRKFH-UHFFFAOYSA-N 2 1 240.416 2.097 20 0 BEADMP C[C@@H](C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)CC(C)(C)C ZINC000709175459 712199370 /nfs/dbraw/zinc/19/93/70/712199370.db2.gz GRCHYIMUONLUDJ-UPJWGTAASA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)CC(C)(C)C ZINC000709175459 712199371 /nfs/dbraw/zinc/19/93/71/712199371.db2.gz GRCHYIMUONLUDJ-UPJWGTAASA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@@H](C[NH3+])C1)CC(C)(C)C ZINC000709120939 712209203 /nfs/dbraw/zinc/20/92/03/712209203.db2.gz BADAMCPPXGMCIS-NEPJUHHUSA-N 2 1 212.381 2.339 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@@H]1CC(C)(C)OC1(C)C ZINC000709702649 712216031 /nfs/dbraw/zinc/21/60/31/712216031.db2.gz NXZQOMFRXGFNOB-GRYCIOLGSA-N 2 1 240.391 2.002 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@@H]1CC(C)(C)OC1(C)C ZINC000709702649 712216032 /nfs/dbraw/zinc/21/60/32/712216032.db2.gz NXZQOMFRXGFNOB-GRYCIOLGSA-N 2 1 240.391 2.002 20 0 BEADMP CC(C)CC[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709795476 712227271 /nfs/dbraw/zinc/22/72/71/712227271.db2.gz RAOPMJCQJXMOQS-NXEZZACHSA-N 2 1 238.297 2.102 20 0 BEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CCCC1)C2 ZINC000709824928 712228846 /nfs/dbraw/zinc/22/88/46/712228846.db2.gz GWDOSLWLFZKUML-MJBXVCDLSA-N 2 1 222.376 2.378 20 0 BEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(F)c1)C2 ZINC000709835219 712229419 /nfs/dbraw/zinc/22/94/19/712229419.db2.gz HYHDLQRWDBBAPV-UBHSHLNASA-N 2 1 234.318 2.137 20 0 BEADMP C[C@H](CC1CCC1)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000710303314 712250990 /nfs/dbraw/zinc/25/09/90/712250990.db2.gz LLFULKYSPCUVSN-PSASIEDQSA-N 2 1 220.307 2.137 20 0 BEADMP C[C@@H](CC1CCC1)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000710303321 712250993 /nfs/dbraw/zinc/25/09/93/712250993.db2.gz LLFULKYSPCUVSN-WPRPVWTQSA-N 2 1 220.307 2.137 20 0 BEADMP C[C@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)C(C)(C)C ZINC000710719907 712255203 /nfs/dbraw/zinc/25/52/03/712255203.db2.gz RPJWQVQZNOSAAL-VXGBXAGGSA-N 2 1 212.381 2.339 20 0 BEADMP Cc1nc(C[N@H+](C)CCCCCC[NH3+])oc1C ZINC000710715136 712255375 /nfs/dbraw/zinc/25/53/75/712255375.db2.gz ZDJUWGRBSANCRJ-UHFFFAOYSA-N 2 1 239.363 2.242 20 0 BEADMP Cc1nc(C[N@@H+](C)CCCCCC[NH3+])oc1C ZINC000710715136 712255378 /nfs/dbraw/zinc/25/53/78/712255378.db2.gz ZDJUWGRBSANCRJ-UHFFFAOYSA-N 2 1 239.363 2.242 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])CC[C@@H]1CCCCO1 ZINC000710800738 712257583 /nfs/dbraw/zinc/25/75/83/712257583.db2.gz XUBXIKAWYKFHOI-AWEZNQCLSA-N 2 1 242.407 2.397 20 0 BEADMP FC[C@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000711511841 712307794 /nfs/dbraw/zinc/30/77/94/712307794.db2.gz FLWNALPTNBNEKH-CYBMUJFWSA-N 2 1 248.345 2.124 20 0 BEADMP CC(C)(C)[C@@H]1C[C@H]1[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479478 712334622 /nfs/dbraw/zinc/33/46/22/712334622.db2.gz PPLYVMANKANESH-QJPTWQEYSA-N 2 1 210.365 2.092 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@H+]([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000923480398 712335142 /nfs/dbraw/zinc/33/51/42/712335142.db2.gz YATFFCCWMYOXCQ-VHDGCEQUSA-N 2 1 230.355 2.213 20 0 BEADMP C[C@H]1CSCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000379538598 712387817 /nfs/dbraw/zinc/38/78/17/712387817.db2.gz DRSYCTADWCUIAM-OLZOCXBDSA-N 2 1 242.432 2.061 20 0 BEADMP C[N@@H+](C[C@@H]1CCC2(CCC2)O1)CC(C)(C)C[NH3+] ZINC000712437662 712429667 /nfs/dbraw/zinc/42/96/67/712429667.db2.gz KDLFJPGNFGKVPW-LBPRGKRZSA-N 2 1 240.391 2.005 20 0 BEADMP CC(C)CC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713166888 712453430 /nfs/dbraw/zinc/45/34/30/712453430.db2.gz GJECAXPGYUFQHD-UHFFFAOYSA-N 2 1 210.365 2.251 20 0 BEADMP C=C/C=C/CC[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000713736309 712470767 /nfs/dbraw/zinc/47/07/67/712470767.db2.gz TVYVSJCCSZIGSK-KTRBRXNASA-N 2 1 210.365 2.424 20 0 BEADMP C=C/C=C\CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000713742573 712471101 /nfs/dbraw/zinc/47/11/01/712471101.db2.gz ZIKRLWPUKSLLTE-TYHIMRJMSA-N 2 1 220.360 2.335 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2CCCC(C)(C)O2)CC[C@@H]1[NH3+] ZINC000714368285 712484090 /nfs/dbraw/zinc/48/40/90/712484090.db2.gz LXBMOZOZVGYZEX-UPJWGTAASA-N 2 1 240.391 2.003 20 0 BEADMP C[N@H+](C[C@H]1CCCC(C)(C)O1)[C@H](C[NH3+])C1CC1 ZINC000714373444 712484603 /nfs/dbraw/zinc/48/46/03/712484603.db2.gz CXAFSIVWBPHYQF-CHWSQXEVSA-N 2 1 240.391 2.003 20 0 BEADMP C[N@@H+](C[C@H]1CCCC(C)(C)O1)[C@H](C[NH3+])C1CC1 ZINC000714373444 712484605 /nfs/dbraw/zinc/48/46/05/712484605.db2.gz CXAFSIVWBPHYQF-CHWSQXEVSA-N 2 1 240.391 2.003 20 0 BEADMP CCC1([NH3+])CC[NH+](Cc2ccccc2OC)CC1 ZINC000714758518 712497653 /nfs/dbraw/zinc/49/76/53/712497653.db2.gz IKZYXSPQIAKRPG-UHFFFAOYSA-N 2 1 248.370 2.399 20 0 BEADMP CCC1([NH3+])CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000714759915 712498404 /nfs/dbraw/zinc/49/84/04/712498404.db2.gz UNDISGVZCRYCIY-UHFFFAOYSA-N 2 1 248.370 2.399 20 0 BEADMP [NH3+]CC[C@H]1CCC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714930376 712500691 /nfs/dbraw/zinc/50/06/91/712500691.db2.gz ANWLNGSVTRJHDY-YUELXQCFSA-N 2 1 236.403 2.483 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccn[nH]1 ZINC000036900037 712513294 /nfs/dbraw/zinc/51/32/94/712513294.db2.gz AEBLOLAIKFKZGV-GFCCVEGCSA-N 2 1 238.379 2.010 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)Cc2ccco2)CC1 ZINC000036993516 712527091 /nfs/dbraw/zinc/52/70/91/712527091.db2.gz DHSUNQQAKSIKMZ-LBPRGKRZSA-N 2 1 236.359 2.285 20 0 BEADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccns2)C1 ZINC000715545408 712527365 /nfs/dbraw/zinc/52/73/65/712527365.db2.gz WOMJTEHJXITITK-QWRGUYRKSA-N 2 1 239.388 2.106 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCS2)CC[N@H+]1C ZINC000715603382 712527861 /nfs/dbraw/zinc/52/78/61/712527861.db2.gz PZIIYVAFCABIHT-JHJVBQTASA-N 2 1 242.432 2.344 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCC2CC2)C1 ZINC000813335342 712587783 /nfs/dbraw/zinc/58/77/83/712587783.db2.gz AHENPZUPACKVIL-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCC2CC2)C1 ZINC000813335342 712587784 /nfs/dbraw/zinc/58/77/84/712587784.db2.gz AHENPZUPACKVIL-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCC2CC2)C1 ZINC000813335342 712587785 /nfs/dbraw/zinc/58/77/85/712587785.db2.gz AHENPZUPACKVIL-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)CC[N@H+]1C ZINC000717097424 712630937 /nfs/dbraw/zinc/63/09/37/712630937.db2.gz OZWPQHSDTQBRGH-XLWJZTARSA-N 2 1 236.403 2.495 20 0 BEADMP CC[C@H](C[NH2+][C@@H]1CC[C@@H]1C)[NH+]1CCCC1 ZINC000379999684 712651671 /nfs/dbraw/zinc/65/16/71/712651671.db2.gz LYDIHPXVSUMMQO-YNEHKIRRSA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@@H]([NH2+]CC[NH3+])c1cccc(Cl)c1 ZINC000037712401 712745066 /nfs/dbraw/zinc/74/50/66/712745066.db2.gz MGRAUVVWJFLVQR-LLVKDONJSA-N 2 1 212.724 2.339 20 0 BEADMP CC(F)(F)CCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000718610226 712772936 /nfs/dbraw/zinc/77/29/36/712772936.db2.gz HYLFLSYCFDPBJK-CYBMUJFWSA-N 2 1 246.345 2.497 20 0 BEADMP CC(F)(F)CCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000718583525 712775642 /nfs/dbraw/zinc/77/56/42/712775642.db2.gz KRSJONZQHOAUDX-QJPTWQEYSA-N 2 1 246.345 2.481 20 0 BEADMP CC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1OC ZINC000038041076 712801415 /nfs/dbraw/zinc/80/14/15/712801415.db2.gz TVPCHWGAAATTMA-AWEZNQCLSA-N 2 1 248.370 2.488 20 0 BEADMP C[C@H]1[C@@H](Nc2cc[nH+]c3ccccc23)CC[N@H+]1C ZINC000719576714 712811737 /nfs/dbraw/zinc/81/17/37/712811737.db2.gz SEALIFJDIQULKP-AAEUAGOBSA-N 2 1 241.338 2.161 20 0 BEADMP CC(C)CC[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720806744 712866800 /nfs/dbraw/zinc/86/68/00/712866800.db2.gz RAOPMJCQJXMOQS-ZJUUUORDSA-N 2 1 238.297 2.102 20 0 BEADMP [NH3+]C[C@H]1C[N@@H+](CC2CC=CC2)C[C@H]1C(F)(F)F ZINC000720878444 712873002 /nfs/dbraw/zinc/87/30/02/712873002.db2.gz SRFYJVGKYQQGQN-WDEREUQCSA-N 2 1 248.292 2.022 20 0 BEADMP CCC(CC)C[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000720905480 712876555 /nfs/dbraw/zinc/87/65/55/712876555.db2.gz YVLJQBCAOGWBMU-OLZOCXBDSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1Cn1c[nH+]c2c1C[C@@H](C)[C@H](C)C2 ZINC000721040638 712888219 /nfs/dbraw/zinc/88/82/19/712888219.db2.gz WEIQAKCCCXTBSO-LPWJVIDDSA-N 2 1 247.386 2.109 20 0 BEADMP Cc1cc(C)[nH+]c(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC001164631580 719151996 /nfs/dbraw/zinc/15/19/96/719151996.db2.gz NZGZRMVTMDNIGN-CHWSQXEVSA-N 2 1 233.359 2.227 20 0 BEADMP Cc1cc(C)[nH+]c(N2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC001164631580 719152002 /nfs/dbraw/zinc/15/20/02/719152002.db2.gz NZGZRMVTMDNIGN-CHWSQXEVSA-N 2 1 233.359 2.227 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CC3(C2)CCCC3)C1 ZINC001208608175 957089557 /nfs/dbraw/zinc/08/95/57/957089557.db2.gz QYBFPXUGGSZWOB-ZDUSSCGKSA-N 2 1 222.376 2.204 20 0 BEADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CCC3)CC2)C[NH2+]1 ZINC000399017858 958484679 /nfs/dbraw/zinc/48/46/79/958484679.db2.gz GHJFKOIRFIDCJA-CHWSQXEVSA-N 2 1 222.376 2.393 20 0 BEADMP CC(C)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000308826552 959518234 /nfs/dbraw/zinc/51/82/34/959518234.db2.gz AJOFEGZDZAMNOL-XQQFMLRXSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)CC[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708863860 959985544 /nfs/dbraw/zinc/98/55/44/959985544.db2.gz QOQCBHPDWUPNRH-RWMBFGLXSA-N 2 1 212.381 2.338 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+](CC2CC2)C2CC2)CC[NH2+]1 ZINC000709465058 960608794 /nfs/dbraw/zinc/60/87/94/960608794.db2.gz NTKHILQHDOVNNL-MFKMUULPSA-N 2 1 208.349 2.001 20 0 BEADMP CCC(F)(F)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000692897411 961195966 /nfs/dbraw/zinc/19/59/66/961195966.db2.gz ZMDNTNSHZKPQAJ-UHFFFAOYSA-N 2 1 220.307 2.233 20 0 BEADMP CCC(F)(F)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000692897411 961195959 /nfs/dbraw/zinc/19/59/59/961195959.db2.gz ZMDNTNSHZKPQAJ-UHFFFAOYSA-N 2 1 220.307 2.233 20 0 BEADMP C(C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)C[NH+]1CCC1 ZINC000710930232 962547939 /nfs/dbraw/zinc/54/79/39/962547939.db2.gz KXMDJKSBZNNGBY-WDNDVIMCSA-N 2 1 222.376 2.251 20 0 BEADMP CC[C@@H](C)[N@@H+](CC)C[C@H]1CCCC[NH2+]C1 ZINC000697040113 963668170 /nfs/dbraw/zinc/66/81/70/963668170.db2.gz HKEARXNAGHAXBQ-OLZOCXBDSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@H](CSC)[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 ZINC000252764168 1165773296 /nfs/dbraw/zinc/77/32/96/1165773296.db2.gz HTNAWMLQUBPKDE-QJPTWQEYSA-N 2 1 230.421 2.187 20 0 BEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CC=CCC2)CCC1(F)F ZINC001205736242 967807860 /nfs/dbraw/zinc/80/78/60/967807860.db2.gz WVULZPXPEZYLIN-NWDGAFQWSA-N 2 1 244.329 2.259 20 0 BEADMP COc1cccc([C@@H]2CC[N@@H+](CCCC[NH3+])C2)c1 ZINC000147553438 1165893787 /nfs/dbraw/zinc/89/37/87/1165893787.db2.gz DBLYDHOIONPFTP-CQSZACIVSA-N 2 1 248.370 2.223 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205981473 967918774 /nfs/dbraw/zinc/91/87/74/967918774.db2.gz DHSOUPLQCVPADU-XQQFMLRXSA-N 2 1 212.381 2.339 20 0 BEADMP C[N@@H+](Cc1ccoc1)Cc1cccc(C[NH3+])c1 ZINC000042447811 1165918276 /nfs/dbraw/zinc/91/82/76/1165918276.db2.gz RJSSEPIIBAXFCI-UHFFFAOYSA-N 2 1 230.311 2.370 20 0 BEADMP Cc1c[nH+]c(N(C)CCC[NH+](C)C)c(C)c1 ZINC001163596121 968080538 /nfs/dbraw/zinc/08/05/38/968080538.db2.gz VIUURTWGRNMWKP-UHFFFAOYSA-N 2 1 221.348 2.086 20 0 BEADMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000070628979 1165939951 /nfs/dbraw/zinc/93/99/51/1165939951.db2.gz ROPAHKDLQPTULG-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H](Cc1cccs1)[N@H+](C)CC(C)(C)[NH3+] ZINC000086442206 1165972904 /nfs/dbraw/zinc/97/29/04/1165972904.db2.gz XGTURAZEEUFJCY-SNVBAGLBSA-N 2 1 226.389 2.348 20 0 BEADMP C[C@H](Cc1cccs1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000086442206 1165972912 /nfs/dbraw/zinc/97/29/12/1165972912.db2.gz XGTURAZEEUFJCY-SNVBAGLBSA-N 2 1 226.389 2.348 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC000075144789 1165998035 /nfs/dbraw/zinc/99/80/35/1165998035.db2.gz MVRXJEUNAKMTQN-AWEZNQCLSA-N 2 1 218.344 2.308 20 0 BEADMP C[N@@H+](CC1CC[NH2+]CC1)C[C@]1(C)CCCS1 ZINC000327476201 1166017731 /nfs/dbraw/zinc/01/77/31/1166017731.db2.gz KUTITSIABDOCBG-ZDUSSCGKSA-N 2 1 242.432 2.204 20 0 BEADMP CCCC[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001120281391 968558161 /nfs/dbraw/zinc/55/81/61/968558161.db2.gz CGCZXNPJCQLYRQ-IHRRRGAJSA-N 2 1 224.392 2.449 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2C)C1 ZINC000252742632 1166054635 /nfs/dbraw/zinc/05/46/35/1166054635.db2.gz KHYVYHPGHHOWOG-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP C(C1CCCC1)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC000257702724 1166072450 /nfs/dbraw/zinc/07/24/50/1166072450.db2.gz QLWBSVHSMWRTRJ-AWEZNQCLSA-N 2 1 222.376 2.395 20 0 BEADMP C[C@H]1C[C@@H](CF)[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207276000 968713351 /nfs/dbraw/zinc/71/33/51/968713351.db2.gz RWCOOTYKLQEBQY-RYUDHWBXSA-N 2 1 230.371 2.254 20 0 BEADMP C[C@H]1C[C@@H](CF)[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207276000 968713361 /nfs/dbraw/zinc/71/33/61/968713361.db2.gz RWCOOTYKLQEBQY-RYUDHWBXSA-N 2 1 230.371 2.254 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CC[C@@](C)(CF)C2)CC1 ZINC001207391698 968746615 /nfs/dbraw/zinc/74/66/15/968746615.db2.gz MHCNLPXOOMEHIM-ZDUSSCGKSA-N 2 1 228.355 2.010 20 0 BEADMP C[C@H]1CCC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207480082 968796165 /nfs/dbraw/zinc/79/61/65/968796165.db2.gz TYNHHRKTGPCMNR-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP Cc1ccccc1CC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399148619 1166158310 /nfs/dbraw/zinc/15/83/10/1166158310.db2.gz YCRAIAGEWOSNAA-UKRRQHHQSA-N 2 1 232.371 2.268 20 0 BEADMP CCC[N@@H+](CC)CC1(C)CC[NH+](C)CC1 ZINC001208104349 969003258 /nfs/dbraw/zinc/00/32/58/969003258.db2.gz MFVGBYDMKMKXMX-UHFFFAOYSA-N 2 1 212.381 2.450 20 0 BEADMP c1cc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)ccn1 ZINC000250157895 1166202745 /nfs/dbraw/zinc/20/27/45/1166202745.db2.gz FHJOPBPSILEVKL-ZFWWWQNUSA-N 2 1 245.370 2.218 20 0 BEADMP CCCC[N@@H+](CCC)C[C@H](O)C[NH+](CC)CC ZINC001253186300 969104061 /nfs/dbraw/zinc/10/40/61/969104061.db2.gz NJAWLDYWEAHDCU-CQSZACIVSA-N 2 1 244.423 2.201 20 0 BEADMP CC[NH+]1CCC(C[N@@H+](C)C2CC(C)C2)CC1 ZINC001208593559 969151695 /nfs/dbraw/zinc/15/16/95/969151695.db2.gz WKXNIPLBAKQYAB-UHFFFAOYSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[N@@H+](CCOC)CC1CC[NH+](CC)CC1 ZINC001208595454 969152266 /nfs/dbraw/zinc/15/22/66/969152266.db2.gz UBALLJFVWCMXEJ-UHFFFAOYSA-N 2 1 242.407 2.077 20 0 BEADMP C[C@@H]1[C@H](C)C[N@@H+](CCC2CC[NH2+]CC2)[C@H]1C ZINC000399640135 1166248538 /nfs/dbraw/zinc/24/85/38/1166248538.db2.gz XFCSWCROQSJSNW-UPJWGTAASA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208604153 969159103 /nfs/dbraw/zinc/15/91/03/969159103.db2.gz LRJJKCUKDQCIGZ-CHWSQXEVSA-N 2 1 210.365 2.060 20 0 BEADMP C[C@@H]1CCC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208604153 969159106 /nfs/dbraw/zinc/15/91/06/969159106.db2.gz LRJJKCUKDQCIGZ-CHWSQXEVSA-N 2 1 210.365 2.060 20 0 BEADMP C[C@@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208604153 969159113 /nfs/dbraw/zinc/15/91/13/969159113.db2.gz LRJJKCUKDQCIGZ-CHWSQXEVSA-N 2 1 210.365 2.060 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@](C)(CF)C2)C1 ZINC001208607260 969161062 /nfs/dbraw/zinc/16/10/62/969161062.db2.gz KXMLWNWMGAYRBL-STQMWFEESA-N 2 1 228.355 2.010 20 0 BEADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@](C)(CF)C2)C1 ZINC001208607260 969161064 /nfs/dbraw/zinc/16/10/64/969161064.db2.gz KXMLWNWMGAYRBL-STQMWFEESA-N 2 1 228.355 2.010 20 0 BEADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@](C)(CF)C2)C1 ZINC001208607260 969161073 /nfs/dbraw/zinc/16/10/73/969161073.db2.gz KXMLWNWMGAYRBL-STQMWFEESA-N 2 1 228.355 2.010 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CC=CCC2)CC1 ZINC000226507355 1166279773 /nfs/dbraw/zinc/27/97/73/1166279773.db2.gz QWELKUBPWAVEMT-CHWSQXEVSA-N 2 1 208.349 2.169 20 0 BEADMP CO[C@@H]1CCC[C@H]([N@@H+](CCC[NH3+])C(C)C)C1 ZINC000226539041 1166288195 /nfs/dbraw/zinc/28/81/95/1166288195.db2.gz FCPFWIUHKPLWFT-QWHCGFSZSA-N 2 1 228.380 2.003 20 0 BEADMP C[C@H]1C[C@H]([N@@H+](C)CCC[NH3+])CC(C)(C)C1 ZINC000227741945 1166307340 /nfs/dbraw/zinc/30/73/40/1166307340.db2.gz JKIWMZIRWASWGS-RYUDHWBXSA-N 2 1 212.381 2.482 20 0 BEADMP COc1ccc(C[N@@H+](C)C[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000227807347 1166331026 /nfs/dbraw/zinc/33/10/26/1166331026.db2.gz JCZHMCMURBXNDO-UONOGXRCSA-N 2 1 248.370 2.254 20 0 BEADMP CC[C@H](C)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC000226917692 1166377687 /nfs/dbraw/zinc/37/76/87/1166377687.db2.gz AVFZLSJOPKRUME-XQQFMLRXSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@H]1CCC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169143138 969464062 /nfs/dbraw/zinc/46/40/62/969464062.db2.gz YFNNESGIUXTJBM-IGQOVBAYSA-N 2 1 222.376 2.486 20 0 BEADMP CC[C@H]1CCC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169143138 969464073 /nfs/dbraw/zinc/46/40/73/969464073.db2.gz YFNNESGIUXTJBM-IGQOVBAYSA-N 2 1 222.376 2.486 20 0 BEADMP CC[C@H]1CCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169143138 969464083 /nfs/dbraw/zinc/46/40/83/969464083.db2.gz YFNNESGIUXTJBM-IGQOVBAYSA-N 2 1 222.376 2.486 20 0 BEADMP CC[C@H]1CCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169143138 969464090 /nfs/dbraw/zinc/46/40/90/969464090.db2.gz YFNNESGIUXTJBM-IGQOVBAYSA-N 2 1 222.376 2.486 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)CCC(C)(C)OC ZINC001209410033 969478315 /nfs/dbraw/zinc/47/83/15/969478315.db2.gz JZISTSGBKFLUBL-UHFFFAOYSA-N 2 1 230.396 2.075 20 0 BEADMP CC(C)(C)CC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000250691867 1166422427 /nfs/dbraw/zinc/42/24/27/1166422427.db2.gz KBPLCYRFBKIEBP-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCCCC[C@H]2C)CC[NH2+]1 ZINC000252952867 1166448556 /nfs/dbraw/zinc/44/85/56/1166448556.db2.gz PWCBBFFZNBJJBI-JHJVBQTASA-N 2 1 210.365 2.391 20 0 BEADMP CO[C@H]1CC[C@@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254515569 969686391 /nfs/dbraw/zinc/68/63/91/969686391.db2.gz YNAMSNLIZSIUHO-MELADBBJSA-N 2 1 240.391 2.018 20 0 BEADMP C[N@@H+]1CCC[C@@H]([NH+]2CCC[C@@](C)(F)C2)CC1 ZINC001254516152 969691066 /nfs/dbraw/zinc/69/10/66/969691066.db2.gz JGJREURBUPRARP-CHWSQXEVSA-N 2 1 228.355 2.295 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@@](C)(F)C2)CC1 ZINC001254516152 969691067 /nfs/dbraw/zinc/69/10/67/969691067.db2.gz JGJREURBUPRARP-CHWSQXEVSA-N 2 1 228.355 2.295 20 0 BEADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@@](C)(F)C2)CC1 ZINC001254516152 969691069 /nfs/dbraw/zinc/69/10/69/969691069.db2.gz JGJREURBUPRARP-CHWSQXEVSA-N 2 1 228.355 2.295 20 0 BEADMP C[C@H]1CCC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254516482 969693318 /nfs/dbraw/zinc/69/33/18/969693318.db2.gz MUROCHZCGBCAPW-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H]1CCC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254516482 969693324 /nfs/dbraw/zinc/69/33/24/969693324.db2.gz MUROCHZCGBCAPW-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H]1CCC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254516482 969693329 /nfs/dbraw/zinc/69/33/29/969693329.db2.gz MUROCHZCGBCAPW-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@@](C)(F)C2)CC1 ZINC001254516152 969691073 /nfs/dbraw/zinc/69/10/73/969691073.db2.gz JGJREURBUPRARP-CHWSQXEVSA-N 2 1 228.355 2.295 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2CCC(CF)CC2)CC1 ZINC001254523248 969704757 /nfs/dbraw/zinc/70/47/57/969704757.db2.gz MOJMADBQEZRDET-ZDUSSCGKSA-N 2 1 228.355 2.152 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@H](CF)C2)CC1 ZINC001254524668 969719596 /nfs/dbraw/zinc/71/95/96/969719596.db2.gz YIOFIXUNOWACDW-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@H](CF)C2)CC1 ZINC001254524668 969719601 /nfs/dbraw/zinc/71/96/01/969719601.db2.gz YIOFIXUNOWACDW-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@H](CF)C2)CC1 ZINC001254524668 969719606 /nfs/dbraw/zinc/71/96/06/969719606.db2.gz YIOFIXUNOWACDW-STQMWFEESA-N 2 1 228.355 2.152 20 0 BEADMP CC[C@@H]1CC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254534600 969730188 /nfs/dbraw/zinc/73/01/88/969730188.db2.gz YCQPUWBEDCTCOA-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@@H]1CC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254534600 969730196 /nfs/dbraw/zinc/73/01/96/969730196.db2.gz YCQPUWBEDCTCOA-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@@H]1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254534600 969730206 /nfs/dbraw/zinc/73/02/06/969730206.db2.gz YCQPUWBEDCTCOA-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP C(=C/C1CC1)\C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000378861347 1166565579 /nfs/dbraw/zinc/56/55/79/1166565579.db2.gz QVVGXEKHXSEPPN-ZQBZMKNESA-N 2 1 220.360 2.169 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000228080226 1166750535 /nfs/dbraw/zinc/75/05/35/1166750535.db2.gz YSNBNHRHEXZVCQ-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP CCCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000233225664 1166775944 /nfs/dbraw/zinc/77/59/44/1166775944.db2.gz DTUZQCDTTRGJRD-AGUYFDCRSA-N 2 1 240.391 2.018 20 0 BEADMP C[NH2+]CC[C@H](C)[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000251157870 1166800997 /nfs/dbraw/zinc/80/09/97/1166800997.db2.gz BUBMBTSLYOJWRO-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCCO[C@@H](C)C1 ZINC001255955496 970587941 /nfs/dbraw/zinc/58/79/41/970587941.db2.gz AISVVQZQAAOPFB-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCCO[C@@H](C)C1 ZINC001255955496 970587951 /nfs/dbraw/zinc/58/79/51/970587951.db2.gz AISVVQZQAAOPFB-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@H]2CCc3c2cccc3F)C1 ZINC000252770687 1166833428 /nfs/dbraw/zinc/83/34/28/1166833428.db2.gz LEATTXCNFOHCNM-RWSFTLGLSA-N 2 1 248.345 2.482 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@@H+](CC)CCOC ZINC001255955974 970594664 /nfs/dbraw/zinc/59/46/64/970594664.db2.gz YIUSGXCKHVTLLN-ZDUSSCGKSA-N 2 1 230.396 2.075 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)CC1(C)COC1 ZINC001255962905 970603338 /nfs/dbraw/zinc/60/33/38/970603338.db2.gz BWOVFNHSBYWAAQ-CYBMUJFWSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)CC1(C)COC1 ZINC001255962906 970604874 /nfs/dbraw/zinc/60/48/74/970604874.db2.gz BWOVFNHSBYWAAQ-ZDUSSCGKSA-N 2 1 242.407 2.075 20 0 BEADMP C[N@H+]1CC[C@@H](c2ccc(NC=[NH2+])cc2)C1 ZINC001167871650 1166879571 /nfs/dbraw/zinc/87/95/71/1166879571.db2.gz UGKNGAGZDFQLIE-LLVKDONJSA-N 2 1 203.289 2.125 20 0 BEADMP FC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC001256072472 970638523 /nfs/dbraw/zinc/63/85/23/970638523.db2.gz OLIICDGEDKTJAF-UHFFFAOYSA-N 2 1 226.339 2.095 20 0 BEADMP C[NH+]1CCC([N@@H+]2CCC(F)(F)C(C)(C)C2)CC1 ZINC001256202469 970703723 /nfs/dbraw/zinc/70/37/23/970703723.db2.gz FFMDVUXGHQECLJ-UHFFFAOYSA-N 2 1 246.345 2.448 20 0 BEADMP C[NH+]1CCC([N@H+]2CCC(F)(F)C(C)(C)C2)CC1 ZINC001256202469 970703736 /nfs/dbraw/zinc/70/37/36/970703736.db2.gz FFMDVUXGHQECLJ-UHFFFAOYSA-N 2 1 246.345 2.448 20 0 BEADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)[C@H](C)C1 ZINC001167924653 1166959065 /nfs/dbraw/zinc/95/90/65/1166959065.db2.gz SGUCNECCPIFXEC-UXXRCYHCSA-N 2 1 236.403 2.493 20 0 BEADMP Fc1ccc(CCC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000041271289 1166991654 /nfs/dbraw/zinc/99/16/54/1166991654.db2.gz UPJZTQZBFNDKKE-UHFFFAOYSA-N 2 1 236.334 2.054 20 0 BEADMP Fc1ccc(CCC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000041271289 1166991664 /nfs/dbraw/zinc/99/16/64/1166991664.db2.gz UPJZTQZBFNDKKE-UHFFFAOYSA-N 2 1 236.334 2.054 20 0 BEADMP CCSC[C@H](C)[N@@H+](CC)CCC[NH+](C)C ZINC001173316885 975305446 /nfs/dbraw/zinc/30/54/46/975305446.db2.gz ZVBAVPLORMKHCB-LBPRGKRZSA-N 2 1 232.437 2.402 20 0 BEADMP Cc1ccc(OCC[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000228180088 1167115044 /nfs/dbraw/zinc/11/50/44/1167115044.db2.gz MPGOWJJYQHADGT-ZIAGYGMSSA-N 2 1 248.370 2.185 20 0 BEADMP C[C@H](C1CC1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC001332991572 975362030 /nfs/dbraw/zinc/36/20/30/975362030.db2.gz QUGQJBCVFMVUPI-YPMHNXCESA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@H](C[NH3+])C2)C1 ZINC000308800139 1167200607 /nfs/dbraw/zinc/20/06/07/1167200607.db2.gz DJVGPPMTVMUBFL-UPJWGTAASA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)C1 ZINC000308800136 1167201574 /nfs/dbraw/zinc/20/15/74/1167201574.db2.gz DJVGPPMTVMUBFL-AGIUHOORSA-N 2 1 210.365 2.236 20 0 BEADMP [NH3+][C@H]1CCC[N@H+](Cc2cc3ccoc3cn2)CC1 ZINC001205117552 1167771980 /nfs/dbraw/zinc/77/19/80/1167771980.db2.gz RDTRRCHCKJJPLT-LBPRGKRZSA-N 2 1 245.326 2.141 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+](Cc2cc3ccoc3cn2)CC1 ZINC001205117552 1167771988 /nfs/dbraw/zinc/77/19/88/1167771988.db2.gz RDTRRCHCKJJPLT-LBPRGKRZSA-N 2 1 245.326 2.141 20 0 BEADMP C[C@H]1C[C@H]([N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)C[C@@H](C)C1 ZINC000310489185 1167783581 /nfs/dbraw/zinc/78/35/81/1167783581.db2.gz FNVFLWZCHCGECK-KHMAMNHCSA-N 2 1 236.403 2.352 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(C)c1 ZINC001235980812 1167802524 /nfs/dbraw/zinc/80/25/24/1167802524.db2.gz ORSAJOOVXDXXGQ-HUUCEWRRSA-N 2 1 230.355 2.227 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(C)c1 ZINC001235980812 1167802534 /nfs/dbraw/zinc/80/25/34/1167802534.db2.gz ORSAJOOVXDXXGQ-HUUCEWRRSA-N 2 1 230.355 2.227 20 0 BEADMP CC(C)[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001277796739 978652434 /nfs/dbraw/zinc/65/24/34/978652434.db2.gz ITANLRQEIQXFFR-CYBMUJFWSA-N 2 1 210.365 2.203 20 0 BEADMP CC(C)[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001277796739 978652440 /nfs/dbraw/zinc/65/24/40/978652440.db2.gz ITANLRQEIQXFFR-CYBMUJFWSA-N 2 1 210.365 2.203 20 0 BEADMP CC(C)[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001277796739 978652444 /nfs/dbraw/zinc/65/24/44/978652444.db2.gz ITANLRQEIQXFFR-CYBMUJFWSA-N 2 1 210.365 2.203 20 0 BEADMP CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001235146200 978982905 /nfs/dbraw/zinc/98/29/05/978982905.db2.gz JEJKGXAEAOLOFV-AGIUHOORSA-N 2 1 210.365 2.236 20 0 BEADMP CCCC[C@@H](CC)C[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001235146200 978982910 /nfs/dbraw/zinc/98/29/10/978982910.db2.gz JEJKGXAEAOLOFV-AGIUHOORSA-N 2 1 210.365 2.236 20 0 BEADMP CCCC[C@H](CC)C[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235256720 979009761 /nfs/dbraw/zinc/00/97/61/979009761.db2.gz GKKHGQNUBMECQU-IHRRRGAJSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1cccnc1 ZINC000086817289 1168313264 /nfs/dbraw/zinc/31/32/64/1168313264.db2.gz CYDDIDRXYKEDOO-GXTWGEPZSA-N 2 1 233.359 2.217 20 0 BEADMP [NH3+]C1CC[NH+]([C@H]2CCc3c2cccc3F)CC1 ZINC000149335643 1168318609 /nfs/dbraw/zinc/31/86/09/1168318609.db2.gz QNYUQEVRDGBCLZ-AWEZNQCLSA-N 2 1 234.318 2.236 20 0 BEADMP CC[C@@H](C)C[C@H](CC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282120 1168323796 /nfs/dbraw/zinc/32/37/96/1168323796.db2.gz JTUSFFHWBKBKNJ-MQYQWHSLSA-N 2 1 224.392 2.352 20 0 BEADMP CCCCCC[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282015 1168325480 /nfs/dbraw/zinc/32/54/80/1168325480.db2.gz LTWBYZHNBNIHMC-MELADBBJSA-N 2 1 224.392 2.497 20 0 BEADMP c1ccc(CC[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC000257655337 1168334768 /nfs/dbraw/zinc/33/47/68/1168334768.db2.gz FFFVXOWKQURGQS-INIZCTEOSA-N 2 1 244.382 2.447 20 0 BEADMP c1ccc(CC[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC000257655337 1168334773 /nfs/dbraw/zinc/33/47/73/1168334773.db2.gz FFFVXOWKQURGQS-INIZCTEOSA-N 2 1 244.382 2.447 20 0 BEADMP CCC[NH+](CCC)CC[NH2+][C@@H](C)CC ZINC000037479885 1168415376 /nfs/dbraw/zinc/41/53/76/1168415376.db2.gz HYKYDHIIIWEUIL-LBPRGKRZSA-N 2 1 200.370 2.497 20 0 BEADMP CCCC(CCC)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC000037484550 1168418813 /nfs/dbraw/zinc/41/88/13/1168418813.db2.gz QFBWTJWQNAFPPM-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CC(C)CC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC000037484736 1168418290 /nfs/dbraw/zinc/41/82/90/1168418290.db2.gz ARIUGHDZUNOUIH-OLZOCXBDSA-N 2 1 212.381 2.352 20 0 BEADMP C[N@@H+]1CC[C@H]2C[NH+](CCCCF)C[C@H]2CC1 ZINC001278206849 980231659 /nfs/dbraw/zinc/23/16/59/980231659.db2.gz KUCKCWHZPUXGSJ-BETUJISGSA-N 2 1 228.355 2.010 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](CCCCF)C[C@H]2CC1 ZINC001278206849 980231666 /nfs/dbraw/zinc/23/16/66/980231666.db2.gz KUCKCWHZPUXGSJ-BETUJISGSA-N 2 1 228.355 2.010 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](CCCCF)C[C@H]2CC1 ZINC001278206849 980231675 /nfs/dbraw/zinc/23/16/75/980231675.db2.gz KUCKCWHZPUXGSJ-BETUJISGSA-N 2 1 228.355 2.010 20 0 BEADMP C[C@H]1CCC[C@H]([N@@H+](C)CCC[NH+](C)C)C1 ZINC000337344932 1168459328 /nfs/dbraw/zinc/45/93/28/1168459328.db2.gz ZMYRPGAQZSZVOK-STQMWFEESA-N 2 1 212.381 2.449 20 0 BEADMP CCCC[N@H+](CC)CC[NH2+][C@@H]1CCCOCC1 ZINC001170776466 1168594556 /nfs/dbraw/zinc/59/45/56/1168594556.db2.gz PWOONYFLMWKQHZ-CQSZACIVSA-N 2 1 242.407 2.267 20 0 BEADMP CCCC[N@@H+](CC)CC[NH2+][C@@H]1CCCOCC1 ZINC001170776466 1168594567 /nfs/dbraw/zinc/59/45/67/1168594567.db2.gz PWOONYFLMWKQHZ-CQSZACIVSA-N 2 1 242.407 2.267 20 0 BEADMP C[C@@H]1C[N@H+](C2CCCC2)CCC[C@H]1C[NH3+] ZINC001246559490 1168650222 /nfs/dbraw/zinc/65/02/22/1168650222.db2.gz ANIRXWNIHJRNEN-NEPJUHHUSA-N 2 1 210.365 2.236 20 0 BEADMP C1CC[C@@H]2[C@H](C1)CCC[N@H+]2[C@H]1CCC[NH2+]C1 ZINC000226109532 1168653874 /nfs/dbraw/zinc/65/38/74/1168653874.db2.gz HBTGAYJPEGRVRI-HZSPNIEDSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)CC(C)(C)C1 ZINC001246651492 1168656963 /nfs/dbraw/zinc/65/69/63/1168656963.db2.gz LTCHPNJDYNGZNY-XDQVBPFNSA-N 2 1 236.403 2.495 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cs1 ZINC001350910550 982119115 /nfs/dbraw/zinc/11/91/15/982119115.db2.gz QKGUXDIZVFRXJM-GWCFXTLKSA-N 2 1 238.400 2.473 20 0 BEADMP Cc1cc(C[NH2+]CCC[NH+]2CCCC2)c(C)o1 ZINC000135611148 1168762052 /nfs/dbraw/zinc/76/20/52/1168762052.db2.gz ADMKMDSAVOZMFD-UHFFFAOYSA-N 2 1 236.359 2.472 20 0 BEADMP CCCCOCC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000082594414 983104049 /nfs/dbraw/zinc/10/40/49/983104049.db2.gz VBEHNUCSYRUUFS-ZDUSSCGKSA-N 2 1 228.380 2.006 20 0 BEADMP CS[C@@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCC2)C1 ZINC001354171427 983183177 /nfs/dbraw/zinc/18/31/77/983183177.db2.gz QSEPLSNSTJCZRN-CHWSQXEVSA-N 2 1 242.432 2.346 20 0 BEADMP c1[nH+]cn(C2CCCC2)c1C1CC[NH2+]CC1 ZINC000130049530 1168988222 /nfs/dbraw/zinc/98/82/22/1168988222.db2.gz YJVHFLXMAMJFAS-UHFFFAOYSA-N 2 1 219.332 2.465 20 0 BEADMP CCC[C@H](C)C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201553692 983311827 /nfs/dbraw/zinc/31/18/27/983311827.db2.gz OVTBOMXPRKHYNJ-BFHYXJOUSA-N 2 1 224.392 2.306 20 0 BEADMP CN1CCC([N@@H+](C)CCCC(F)(F)F)CC1 ZINC001202367921 983643976 /nfs/dbraw/zinc/64/39/76/983643976.db2.gz GZVCVZDGHQTAGA-UHFFFAOYSA-N 2 1 238.297 2.355 20 0 BEADMP C[N@H+](CCCC(F)(F)F)C1CC[NH+](C)CC1 ZINC001202367921 983643983 /nfs/dbraw/zinc/64/39/83/983643983.db2.gz GZVCVZDGHQTAGA-UHFFFAOYSA-N 2 1 238.297 2.355 20 0 BEADMP C[N@@H+](CCCC(F)(F)F)C1CC[NH+](C)CC1 ZINC001202367921 983643994 /nfs/dbraw/zinc/64/39/94/983643994.db2.gz GZVCVZDGHQTAGA-UHFFFAOYSA-N 2 1 238.297 2.355 20 0 BEADMP CO[C@H]1CC[C@H](C)[N@@H+](CCCCCCC[NH3+])C1 ZINC000687197957 1169122739 /nfs/dbraw/zinc/12/27/39/1169122739.db2.gz UXZMLYLYFISVFH-KBPBESRZSA-N 2 1 242.407 2.395 20 0 BEADMP Cc1csc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC001137158069 984003997 /nfs/dbraw/zinc/00/39/97/984003997.db2.gz CGONRQJGWPEZRY-TXEJJXNPSA-N 2 1 236.384 2.050 20 0 BEADMP Cc1csc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC001137158069 984004008 /nfs/dbraw/zinc/00/40/08/984004008.db2.gz CGONRQJGWPEZRY-TXEJJXNPSA-N 2 1 236.384 2.050 20 0 BEADMP Cc1csc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC001137158069 984004021 /nfs/dbraw/zinc/00/40/21/984004021.db2.gz CGONRQJGWPEZRY-TXEJJXNPSA-N 2 1 236.384 2.050 20 0 BEADMP CC(C)OCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001172439082 974797101 /nfs/dbraw/zinc/79/71/01/974797101.db2.gz XSMKMYPTGNXKDR-UONOGXRCSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)OCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC001172441540 974800023 /nfs/dbraw/zinc/80/00/23/974800023.db2.gz XAOPFVYUVSTETC-MCIONIFRSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)OCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC001172441540 974800026 /nfs/dbraw/zinc/80/00/26/974800026.db2.gz XAOPFVYUVSTETC-MCIONIFRSA-N 2 1 242.407 2.120 20 0 BEADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246542247 972568407 /nfs/dbraw/zinc/56/84/07/972568407.db2.gz NZNJWVZWNMQXSB-HZSPNIEDSA-N 2 1 242.407 2.393 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](C)C2)CC[NH2+]1 ZINC001246557333 972772769 /nfs/dbraw/zinc/77/27/69/972772769.db2.gz KOSKHMSFXIPAOB-XQQFMLRXSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC000147037935 1169410806 /nfs/dbraw/zinc/41/08/06/1169410806.db2.gz POQPSRBQXINKTD-UHFFFAOYSA-N 2 1 210.365 2.060 20 0 BEADMP [NH3+]C[C@@H]1CCCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000402202316 970769267 /nfs/dbraw/zinc/76/92/67/970769267.db2.gz FFNWMHXUHCUFJO-KGLIPLIRSA-N 2 1 222.376 2.404 20 0 BEADMP Cc1cc[nH+]c(NC2CC3(C2)CCC[NH2+]C3)c1 ZINC001162981254 1169453331 /nfs/dbraw/zinc/45/33/31/1169453331.db2.gz WFIPYYYLXBXBGR-UHFFFAOYSA-N 2 1 231.343 2.334 20 0 BEADMP CCOC1CCC([N@@H+](CCC[NH3+])C(C)C)CC1 ZINC001256429116 970833807 /nfs/dbraw/zinc/83/38/07/970833807.db2.gz APQNPYXFHCGFMW-UHFFFAOYSA-N 2 1 242.407 2.393 20 0 BEADMP CC[C@@H](C)[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256624039 970890957 /nfs/dbraw/zinc/89/09/57/970890957.db2.gz PWAGAJCAABTMGH-FKJOKYEKSA-N 2 1 210.365 2.342 20 0 BEADMP CC[C@@H](C)[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256624039 970890965 /nfs/dbraw/zinc/89/09/65/970890965.db2.gz PWAGAJCAABTMGH-FKJOKYEKSA-N 2 1 210.365 2.342 20 0 BEADMP CC[C@@H](C)[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256624039 970890966 /nfs/dbraw/zinc/89/09/66/970890966.db2.gz PWAGAJCAABTMGH-FKJOKYEKSA-N 2 1 210.365 2.342 20 0 BEADMP CCCCC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403233198 970897053 /nfs/dbraw/zinc/89/70/53/970897053.db2.gz NHQXOBKTNCSHFD-JTQLQIEISA-N 2 1 220.307 2.093 20 0 BEADMP CC(C)(C[NH3+])[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256787707 970987836 /nfs/dbraw/zinc/98/78/36/970987836.db2.gz WQHMXFWNNFIMJG-KGLIPLIRSA-N 2 1 248.370 2.234 20 0 BEADMP c1cc(N2CCC([N@H+]3C[C@@H]4C[C@@H]4C3)CC2)cc[nH+]1 ZINC001256857162 970995432 /nfs/dbraw/zinc/99/54/32/970995432.db2.gz PDIFRUVMEJLDNW-BETUJISGSA-N 2 1 243.354 2.002 20 0 BEADMP CC[C@H]1C[N@@H+](CCCCCC[NH3+])[C@@H](CC)CO1 ZINC000403731887 971033433 /nfs/dbraw/zinc/03/34/33/971033433.db2.gz BABZVGRCCDWKKW-KBPBESRZSA-N 2 1 242.407 2.395 20 0 BEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](CC)CO1 ZINC000403760022 971048625 /nfs/dbraw/zinc/04/86/25/971048625.db2.gz AHIXBZJDBPBPAA-ZOBORPQBSA-N 2 1 240.391 2.003 20 0 BEADMP CCC[C@H](CC)n1c(C)c[nH+]c1CC[NH3+] ZINC001257244372 971137909 /nfs/dbraw/zinc/13/79/09/971137909.db2.gz IAQUTPIEPPXIIT-NSHDSACASA-N 2 1 209.337 2.444 20 0 BEADMP CCC[C@@H](C)[N@@H+](CCOC)C1CCN(C)CC1 ZINC001257321746 971222021 /nfs/dbraw/zinc/22/20/21/971222021.db2.gz VWYCIIKXVSJMKM-CYBMUJFWSA-N 2 1 242.407 2.218 20 0 BEADMP C1C[NH+](C2CC[NH+](C3CCCC3)CC2)C1 ZINC001257354853 971267913 /nfs/dbraw/zinc/26/79/13/971267913.db2.gz OFIQWQWOVISADU-UHFFFAOYSA-N 2 1 208.349 2.099 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)nc1C ZINC000405459090 971262040 /nfs/dbraw/zinc/26/20/40/971262040.db2.gz IIPCNQVIWLMIQV-UONOGXRCSA-N 2 1 245.370 2.058 20 0 BEADMP CCCC[N@@H+](C)CCC[NH2+][C@H](C)CC ZINC001257429269 971333697 /nfs/dbraw/zinc/33/36/97/971333697.db2.gz MDKFZLIWKVZRFU-GFCCVEGCSA-N 2 1 200.370 2.497 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170716902 971637017 /nfs/dbraw/zinc/63/70/17/971637017.db2.gz ZQSOOOOHAVKERX-CLLJXQQHSA-N 2 1 233.359 2.216 20 0 BEADMP C[C@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000216861641 971676850 /nfs/dbraw/zinc/67/68/50/971676850.db2.gz VXOJCELMRUMVMI-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP CC(C)(C[NH3+])[NH2+][C@H]1CSc2ccccc2C1 ZINC001172191321 974398512 /nfs/dbraw/zinc/39/85/12/974398512.db2.gz QRCULHCUILMSBI-LLVKDONJSA-N 2 1 236.384 2.030 20 0 BEADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CCCOCC1 ZINC001170775748 971800188 /nfs/dbraw/zinc/80/01/88/971800188.db2.gz LSTIWFAZXZWPRF-CQSZACIVSA-N 2 1 242.407 2.267 20 0 BEADMP Cc1csc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206163806 974511944 /nfs/dbraw/zinc/51/19/44/974511944.db2.gz GCTDDVXZXGKPLO-RYUDHWBXSA-N 2 1 242.363 2.318 20 0 BEADMP C[C@H](Cc1ccco1)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246539077 972533545 /nfs/dbraw/zinc/53/35/45/972533545.db2.gz ATHBRRKLTHOCDE-NEPJUHHUSA-N 2 1 222.332 2.024 20 0 BEADMP C[C@@H]1CC[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145040 1169682181 /nfs/dbraw/zinc/68/21/81/1169682181.db2.gz SLVFXMCDMHIPFX-LLVKDONJSA-N 2 1 236.334 2.482 20 0 BEADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000310567359 971975807 /nfs/dbraw/zinc/97/58/07/971975807.db2.gz YCHLTTFHXNSNJI-ZDUSSCGKSA-N 2 1 236.334 2.387 20 0 BEADMP COc1cccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC000310990098 971990476 /nfs/dbraw/zinc/99/04/76/971990476.db2.gz GMISDKWDFFTVEP-CQSZACIVSA-N 2 1 248.370 2.256 20 0 BEADMP CC[C@]([NH3+])(CO)Nc1cc[nH+]c2cc(C)ccc12 ZINC001170866822 972000849 /nfs/dbraw/zinc/00/08/49/972000849.db2.gz ZOLMJVNLWGSGKD-CQSZACIVSA-N 2 1 245.326 2.012 20 0 BEADMP CCCCC[C@H](O)C[NH2+]C[C@]1(CCC)CC[NH2+]1 ZINC001246015518 972115249 /nfs/dbraw/zinc/11/52/49/972115249.db2.gz CMLKAOUUYNBADR-KBPBESRZSA-N 2 1 242.407 2.049 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCC[C@H](C)C1 ZINC001246098316 972152225 /nfs/dbraw/zinc/15/22/25/972152225.db2.gz QVUWSIHYHLYEBM-RNJOBUHISA-N 2 1 210.365 2.153 20 0 BEADMP CCCCCC[C@@H](C)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246134880 972190662 /nfs/dbraw/zinc/19/06/62/972190662.db2.gz PDWTUOIBCLWEBR-AGIUHOORSA-N 2 1 210.365 2.297 20 0 BEADMP CS[C@H](C)CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001208154606 957033428 /nfs/dbraw/zinc/03/34/28/957033428.db2.gz MVEPZLSYFWHMFU-CHWSQXEVSA-N 2 1 242.432 2.156 20 0 BEADMP CS[C@H](C)CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001208154606 957033439 /nfs/dbraw/zinc/03/34/39/957033439.db2.gz MVEPZLSYFWHMFU-CHWSQXEVSA-N 2 1 242.432 2.156 20 0 BEADMP CS[C@H](C)CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001208154606 957033451 /nfs/dbraw/zinc/03/34/51/957033451.db2.gz MVEPZLSYFWHMFU-CHWSQXEVSA-N 2 1 242.432 2.156 20 0 BEADMP C[C@@H]1C[C@@H](C)C[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208612294 957096159 /nfs/dbraw/zinc/09/61/59/957096159.db2.gz MFVXODISJGBEEM-MGPQQGTHSA-N 2 1 224.392 2.306 20 0 BEADMP C[C@@H]1C[N@H+](C[C@H]2CCC[NH+](C)C2)C2(CC2)C1 ZINC001208615003 957105137 /nfs/dbraw/zinc/10/51/37/957105137.db2.gz GTUAGNCNUIDOIS-STQMWFEESA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH+](C)C2)C2(CC2)C1 ZINC001208615003 957105140 /nfs/dbraw/zinc/10/51/40/957105140.db2.gz GTUAGNCNUIDOIS-STQMWFEESA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@H+](C)C2)C2(CC2)C1 ZINC001208615003 957105144 /nfs/dbraw/zinc/10/51/44/957105144.db2.gz GTUAGNCNUIDOIS-STQMWFEESA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](C)C2)C2(CC2)C1 ZINC001208615003 957105146 /nfs/dbraw/zinc/10/51/46/957105146.db2.gz GTUAGNCNUIDOIS-STQMWFEESA-N 2 1 222.376 2.203 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@H](CF)C2)C1 ZINC001208613671 957105274 /nfs/dbraw/zinc/10/52/74/957105274.db2.gz XORMEPLPFXMULV-OLZOCXBDSA-N 2 1 228.355 2.010 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H](CF)C2)C1 ZINC001208613673 957106668 /nfs/dbraw/zinc/10/66/68/957106668.db2.gz XORMEPLPFXMULV-STQMWFEESA-N 2 1 228.355 2.010 20 0 BEADMP Cc1cc(F)cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246238712 972243825 /nfs/dbraw/zinc/24/38/25/972243825.db2.gz ZEAGIXHTPNYSMT-RISCZKNCSA-N 2 1 236.334 2.364 20 0 BEADMP CCCC[C@@H]1C[C@H]([NH2+]CC[C@H]([NH3+])CC)CC[NH2+]1 ZINC001246308889 972269689 /nfs/dbraw/zinc/26/96/89/972269689.db2.gz SXJYMRBJMWSILC-MGPQQGTHSA-N 3 1 241.423 2.014 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[NH2+][C@H](C)CC2)c(C)c1 ZINC001210474312 957759816 /nfs/dbraw/zinc/75/98/16/957759816.db2.gz FORPMIKBYKPNMY-CQSZACIVSA-N 2 1 232.371 2.487 20 0 BEADMP Cc1ccc(C[N@H+]2CC[NH2+][C@H](C)CC2)c(C)c1 ZINC001210474312 957759818 /nfs/dbraw/zinc/75/98/18/957759818.db2.gz FORPMIKBYKPNMY-CQSZACIVSA-N 2 1 232.371 2.487 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1Cn1c[nH+]c2c1C[C@@H](C)[C@@H](C)C2 ZINC000721106963 957875865 /nfs/dbraw/zinc/87/58/65/957875865.db2.gz WEIQAKCCCXTBSO-LOWDOPEQSA-N 2 1 247.386 2.109 20 0 BEADMP NCC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000164937155 957890747 /nfs/dbraw/zinc/89/07/47/957890747.db2.gz KDWJZXNHQCXEQP-CYBMUJFWSA-N 2 1 204.317 2.172 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246365964 972306254 /nfs/dbraw/zinc/30/62/54/972306254.db2.gz WBDZXLQYWUOUOZ-FVCCEPFGSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]CCC2CCCC2)C[NH2+]1 ZINC000398958874 958458827 /nfs/dbraw/zinc/45/88/27/958458827.db2.gz KQAFBXPMDUVCFN-AAEUAGOBSA-N 2 1 210.365 2.297 20 0 BEADMP CCOC1CCC([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000707371538 958485190 /nfs/dbraw/zinc/48/51/90/958485190.db2.gz PAYRVMQBJHMSQR-ZIHBUVQPSA-N 2 1 240.391 2.064 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC23CCCC3)C[NH2+]1 ZINC000399041111 958496893 /nfs/dbraw/zinc/49/68/93/958496893.db2.gz QEYKQMPMQBABIA-WOPDTQHZSA-N 2 1 208.349 2.049 20 0 BEADMP C[C@H]1C[C@@H]([N@H+]2CCC23CCCC3)CC[NH2+]1 ZINC000707627662 958634095 /nfs/dbraw/zinc/63/40/95/958634095.db2.gz RRRVYQWPEYYIDB-RYUDHWBXSA-N 2 1 208.349 2.145 20 0 BEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000690738448 958857016 /nfs/dbraw/zinc/85/70/16/958857016.db2.gz HPIUWMWPCARBOS-JTQLQIEISA-N 2 1 240.297 2.136 20 0 BEADMP CC[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000693581720 958870918 /nfs/dbraw/zinc/87/09/18/958870918.db2.gz ZYVOLOHKHKHJGE-UPJWGTAASA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H](Cc1ccccn1)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000707961854 958881233 /nfs/dbraw/zinc/88/12/33/958881233.db2.gz VMONDLYLFQKGSE-HIFRSBDPSA-N 2 1 247.386 2.087 20 0 BEADMP C[C@@H](c1cccs1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693593226 958908170 /nfs/dbraw/zinc/90/81/70/958908170.db2.gz UTMYMIMRGPJGOV-GARJFASQSA-N 2 1 224.373 2.478 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222231888 972413628 /nfs/dbraw/zinc/41/36/28/972413628.db2.gz QJNLKQFBMNSXBZ-JJXSEGSLSA-N 2 1 246.398 2.417 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222231891 972413851 /nfs/dbraw/zinc/41/38/51/972413851.db2.gz QJNLKQFBMNSXBZ-XUWVNRHRSA-N 2 1 246.398 2.417 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000689853005 959344913 /nfs/dbraw/zinc/34/49/13/959344913.db2.gz RQUBYOQKQUMQMK-MCIONIFRSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000689853005 959344924 /nfs/dbraw/zinc/34/49/24/959344924.db2.gz RQUBYOQKQUMQMK-MCIONIFRSA-N 2 1 242.407 2.120 20 0 BEADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300952079 959385406 /nfs/dbraw/zinc/38/54/06/959385406.db2.gz OKCHGWJKYFRSME-QWRGUYRKSA-N 2 1 232.318 2.093 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000300993780 959489539 /nfs/dbraw/zinc/48/95/39/959489539.db2.gz WAEHFIHHWDFJQL-STQMWFEESA-N 2 1 212.381 2.339 20 0 BEADMP C[N@@H+](CC1CC[NH+](C)CC1)C1CC(F)(F)C1 ZINC001207391623 959635798 /nfs/dbraw/zinc/63/57/98/959635798.db2.gz JIBFQYRPXANWOM-UHFFFAOYSA-N 2 1 232.318 2.058 20 0 BEADMP CCCC[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385315 972451039 /nfs/dbraw/zinc/45/10/39/972451039.db2.gz JKFOXORPXPRSKG-CYBMUJFWSA-N 2 1 210.365 2.395 20 0 BEADMP CCCC[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385315 972451042 /nfs/dbraw/zinc/45/10/42/972451042.db2.gz JKFOXORPXPRSKG-CYBMUJFWSA-N 2 1 210.365 2.395 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222384810 972451359 /nfs/dbraw/zinc/45/13/59/972451359.db2.gz AALPXTKBUHDCHN-MCIONIFRSA-N 2 1 222.376 2.251 20 0 BEADMP CCSC[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000309266869 959824081 /nfs/dbraw/zinc/82/40/81/959824081.db2.gz QIKQIGVQIDYKSZ-LLVKDONJSA-N 2 1 242.432 2.344 20 0 BEADMP C[C@H]1C[N@H+](C2CCCCCC2)C[C@H]1C[NH3+] ZINC000708830348 959860036 /nfs/dbraw/zinc/86/00/36/959860036.db2.gz LPQMUIRYIALSHR-NWDGAFQWSA-N 2 1 210.365 2.236 20 0 BEADMP Cc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)o1 ZINC000309488517 959886979 /nfs/dbraw/zinc/88/69/79/959886979.db2.gz XQIZROQWJRQICI-GFCCVEGCSA-N 2 1 222.332 2.149 20 0 BEADMP [NH3+]CC12CC(C1)C[N@H+]2C[C@H]1CC2CCC1CC2 ZINC000694602265 959933584 /nfs/dbraw/zinc/93/35/84/959933584.db2.gz BUHWRFDWJXARFS-WRHSUISWSA-N 2 1 234.387 2.236 20 0 BEADMP C[C@H]1C[N@@H+](CC2(c3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000708872991 959995129 /nfs/dbraw/zinc/99/51/29/959995129.db2.gz XUYOUKHCVOWTCU-UONOGXRCSA-N 2 1 244.382 2.245 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000925530892 960286854 /nfs/dbraw/zinc/28/68/54/960286854.db2.gz HHOSLVKKSNCKSQ-JSGCOSHPSA-N 2 1 240.391 2.066 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)C2(Cl)CC2)CC1 ZINC000695669452 960343367 /nfs/dbraw/zinc/34/33/67/960343367.db2.gz VJFOWTKKMSIZTJ-SNVBAGLBSA-N 2 1 230.783 2.220 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)C2(Cl)CC2)CC1 ZINC000695669230 960343734 /nfs/dbraw/zinc/34/37/34/960343734.db2.gz VJFOWTKKMSIZTJ-JTQLQIEISA-N 2 1 230.783 2.220 20 0 BEADMP CO[C@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140799376 960575384 /nfs/dbraw/zinc/57/53/84/960575384.db2.gz BGTQILCGPQVBOQ-LBPRGKRZSA-N 2 1 245.326 2.174 20 0 BEADMP CO[C@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140799376 960575392 /nfs/dbraw/zinc/57/53/92/960575392.db2.gz BGTQILCGPQVBOQ-LBPRGKRZSA-N 2 1 245.326 2.174 20 0 BEADMP CCC[N@H+](C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140799882 960579369 /nfs/dbraw/zinc/57/93/69/960579369.db2.gz PHEPWYRJCQQHSZ-UHFFFAOYSA-N 2 1 203.289 2.405 20 0 BEADMP CCC[N@@H+](C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140799882 960579377 /nfs/dbraw/zinc/57/93/77/960579377.db2.gz PHEPWYRJCQQHSZ-UHFFFAOYSA-N 2 1 203.289 2.405 20 0 BEADMP F[C@@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140802633 960591183 /nfs/dbraw/zinc/59/11/83/960591183.db2.gz BONZJBMHSWDWGH-XHVZSJERSA-N 2 1 245.301 2.495 20 0 BEADMP F[C@@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140802633 960591192 /nfs/dbraw/zinc/59/11/92/960591192.db2.gz BONZJBMHSWDWGH-XHVZSJERSA-N 2 1 245.301 2.495 20 0 BEADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)C1CC1 ZINC001140802082 960594467 /nfs/dbraw/zinc/59/44/67/960594467.db2.gz MZYVIAFVJLWWPJ-UHFFFAOYSA-N 2 1 201.273 2.157 20 0 BEADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)C1CC1 ZINC001140802082 960594471 /nfs/dbraw/zinc/59/44/71/960594471.db2.gz MZYVIAFVJLWWPJ-UHFFFAOYSA-N 2 1 201.273 2.157 20 0 BEADMP CCO[C@@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805959 960602908 /nfs/dbraw/zinc/60/29/08/960602908.db2.gz QZIVPTGYUUMFHA-GFCCVEGCSA-N 2 1 245.326 2.174 20 0 BEADMP CCO[C@@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805959 960602915 /nfs/dbraw/zinc/60/29/15/960602915.db2.gz QZIVPTGYUUMFHA-GFCCVEGCSA-N 2 1 245.326 2.174 20 0 BEADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1CCCC(C)(C)C1 ZINC000709525823 960633884 /nfs/dbraw/zinc/63/38/84/960633884.db2.gz RTKRSYRGDVFZRW-RYUDHWBXSA-N 2 1 212.381 2.482 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000125535616 960834430 /nfs/dbraw/zinc/83/44/30/960834430.db2.gz DENFXVDDTNQMRG-AWEZNQCLSA-N 2 1 232.371 2.474 20 0 BEADMP CC[NH+](CC)C1CC[NH+](CCCF)CC1 ZINC000121477418 961033528 /nfs/dbraw/zinc/03/35/28/961033528.db2.gz FBUDTPJTXRHNNT-UHFFFAOYSA-N 2 1 216.344 2.152 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000925781475 961130938 /nfs/dbraw/zinc/13/09/38/961130938.db2.gz ACVHJCDFZIFBDI-DAXOMENPSA-N 2 1 244.382 2.132 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](OC)C1 ZINC001167826135 961159702 /nfs/dbraw/zinc/15/97/02/961159702.db2.gz MVALTROYWCVYNB-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](OC)C1 ZINC001167826136 961161832 /nfs/dbraw/zinc/16/18/32/961161832.db2.gz MVALTROYWCVYNB-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)C1(C)COC1 ZINC001167838111 961223553 /nfs/dbraw/zinc/22/35/53/961223553.db2.gz QHSAMZVRNIFOCB-ZDUSSCGKSA-N 2 1 242.407 2.218 20 0 BEADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001207631436 961395990 /nfs/dbraw/zinc/39/59/90/961395990.db2.gz HQBPBKHHLRZSMD-JJXSEGSLSA-N 2 1 246.398 2.226 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001207631436 961395994 /nfs/dbraw/zinc/39/59/94/961395994.db2.gz HQBPBKHHLRZSMD-JJXSEGSLSA-N 2 1 246.398 2.226 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001207631436 961396017 /nfs/dbraw/zinc/39/60/17/961396017.db2.gz HQBPBKHHLRZSMD-JJXSEGSLSA-N 2 1 246.398 2.226 20 0 BEADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167899406 961538522 /nfs/dbraw/zinc/53/85/22/961538522.db2.gz ZVDABTCHFSKJQV-BTTYYORXSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167903295 961694973 /nfs/dbraw/zinc/69/49/73/961694973.db2.gz UQIUROQKJKTRRM-NDKCEZKHSA-N 2 1 222.376 2.247 20 0 BEADMP C1CC1[NH+]1CCC([NH2+][C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167906482 961763304 /nfs/dbraw/zinc/76/33/04/961763304.db2.gz RKBUKBFFZOHZQW-PJXYFTJBSA-N 2 1 220.360 2.001 20 0 BEADMP C[N@@H+](CC1CCC2(CC2)CC1)C1CC([NH3+])C1 ZINC000696195565 961862907 /nfs/dbraw/zinc/86/29/07/961862907.db2.gz NYXQYHBHWYAOJN-UHFFFAOYSA-N 2 1 222.376 2.378 20 0 BEADMP Cc1c(O)cccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206632374 962121211 /nfs/dbraw/zinc/12/12/11/962121211.db2.gz JZEPOAXPFLAELJ-CYBMUJFWSA-N 2 1 248.370 2.261 20 0 BEADMP Cc1cc(O)cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206632344 962127588 /nfs/dbraw/zinc/12/75/88/962127588.db2.gz JIBAJXHIDRLDOF-CYBMUJFWSA-N 2 1 248.370 2.261 20 0 BEADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167939978 962162236 /nfs/dbraw/zinc/16/22/36/962162236.db2.gz OGRFYPNKNQJCSN-BTTYYORXSA-N 2 1 222.376 2.059 20 0 BEADMP C[NH+]1CCC2(CC[N@H+]([C@H]3C[C@H]4C[C@H]4C3)C2)CC1 ZINC001167950598 962629991 /nfs/dbraw/zinc/62/99/91/962629991.db2.gz CZQZXEIMSSRBOS-WDNDVIMCSA-N 2 1 234.387 2.203 20 0 BEADMP C[C@H]1C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167959898 962842192 /nfs/dbraw/zinc/84/21/92/962842192.db2.gz UMYZOAQTMHNCJC-ASJAARPFSA-N 2 1 234.387 2.390 20 0 BEADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCCC1)C2 ZINC001167981760 963067512 /nfs/dbraw/zinc/06/75/12/963067512.db2.gz ITLKQQNEFNXSHV-YIONKMFJSA-N 2 1 234.387 2.488 20 0 BEADMP C[N@@H+](C1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167984460 963077239 /nfs/dbraw/zinc/07/72/39/963077239.db2.gz OXWJVGYARZBMHY-YIONKMFJSA-N 2 1 234.387 2.486 20 0 BEADMP C[NH+](C1CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167984460 963077268 /nfs/dbraw/zinc/07/72/68/963077268.db2.gz OXWJVGYARZBMHY-YIONKMFJSA-N 2 1 234.387 2.486 20 0 BEADMP C[NH+](C1CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167984460 963077282 /nfs/dbraw/zinc/07/72/82/963077282.db2.gz OXWJVGYARZBMHY-YIONKMFJSA-N 2 1 234.387 2.486 20 0 BEADMP Cc1c[nH+]c(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(C)c1 ZINC001156386015 963332576 /nfs/dbraw/zinc/33/25/76/963332576.db2.gz USZNPPYVPHBBCZ-UKRRQHHQSA-N 2 1 245.370 2.086 20 0 BEADMP CCCC[N@H+](CC)CC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001168072582 963605586 /nfs/dbraw/zinc/60/55/86/963605586.db2.gz UKZJLMVMBPATAG-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP CCCC[N@@H+](CC)CC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001168072582 963605589 /nfs/dbraw/zinc/60/55/89/963605589.db2.gz UKZJLMVMBPATAG-UONOGXRCSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@@H]([N@@H+](C)C[C@@H]1CCCC[NH2+]C1)C1(C)CC1 ZINC000697013834 963640141 /nfs/dbraw/zinc/64/01/41/963640141.db2.gz AIHCYNJVRWHKCY-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]([N@@H+](C)C[C@H]1CCCC[NH2+]C1)C1(C)CC1 ZINC000697013849 963640182 /nfs/dbraw/zinc/64/01/82/963640182.db2.gz AIHCYNJVRWHKCY-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP CCC[NH+]1C[C@H]2CN(c3cc(C)cc[nH+]3)C[C@@H]2C1 ZINC001157691211 963703047 /nfs/dbraw/zinc/70/30/47/963703047.db2.gz UYJRZYMVJQSTCF-KBPBESRZSA-N 2 1 245.370 2.168 20 0 BEADMP C[NH+]1CCC([NH2+]CC(C)(C)C(C)(F)F)CC1 ZINC000697168121 963792126 /nfs/dbraw/zinc/79/21/26/963792126.db2.gz CFCNMQMRHWGXJM-UHFFFAOYSA-N 2 1 234.334 2.352 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1CCCCC1 ZINC000822123799 963938139 /nfs/dbraw/zinc/93/81/39/963938139.db2.gz FKEVXQBYXGVUAV-ZDUSSCGKSA-N 2 1 210.365 2.393 20 0 BEADMP Cc1c[nH+]c(CC[NH3+])n1C1CCC(C)CC1 ZINC001168196672 963964350 /nfs/dbraw/zinc/96/43/50/963964350.db2.gz KICYPZUAEWHEFU-UHFFFAOYSA-N 2 1 221.348 2.444 20 0 BEADMP Cc1[nH+]c2ccc(F)cn2c1NC1=C[NH2+]CCC1 ZINC001159371856 964067582 /nfs/dbraw/zinc/06/75/82/964067582.db2.gz MLKVOPGJYLJTQY-UHFFFAOYSA-N 2 1 246.289 2.419 20 0 BEADMP CCc1ccc(C[N@H+](C)C2CCN(C)CC2)o1 ZINC001204388732 964088547 /nfs/dbraw/zinc/08/85/47/964088547.db2.gz BJAANOGLOVRPSG-UHFFFAOYSA-N 2 1 236.359 2.368 20 0 BEADMP CCc1ccc(C[N@@H+](C)C2CCN(C)CC2)o1 ZINC001204388732 964088566 /nfs/dbraw/zinc/08/85/66/964088566.db2.gz BJAANOGLOVRPSG-UHFFFAOYSA-N 2 1 236.359 2.368 20 0 BEADMP CC(C)c1ccc(NCC[C@@H](C)[NH3+])[nH+]c1 ZINC001159772645 964186151 /nfs/dbraw/zinc/18/61/51/964186151.db2.gz IDAVDPXGOSSSQC-SNVBAGLBSA-N 2 1 207.321 2.354 20 0 BEADMP CC(C)([NH3+])C[NH2+]C(C)(C)c1ccnc(Cl)c1 ZINC001160033128 964240940 /nfs/dbraw/zinc/24/09/40/964240940.db2.gz JEBLYDUOVXNILK-UHFFFAOYSA-N 2 1 241.766 2.297 20 0 BEADMP C[C@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168313407 964422688 /nfs/dbraw/zinc/42/26/88/964422688.db2.gz BRUIXRFDXKCXNC-HIFPTAJRSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1CCC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168315959 964435838 /nfs/dbraw/zinc/43/58/38/964435838.db2.gz SJNXCQNRJHUYOU-PNESKVBLSA-N 2 1 210.365 2.344 20 0 BEADMP C[NH+](C)C1CCC([N@H+]2CCn3cccc3C2)CC1 ZINC001168322989 964445745 /nfs/dbraw/zinc/44/57/45/964445745.db2.gz LSTJEGDIRPZDFF-UHFFFAOYSA-N 2 1 247.386 2.177 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)CC(F)F ZINC000697716432 964502881 /nfs/dbraw/zinc/50/28/81/964502881.db2.gz KMSKEZMQKGNYSK-IVZWLZJFSA-N 2 1 220.307 2.008 20 0 BEADMP CCc1cccc(NCCCC[NH+](C)C)[nH+]1 ZINC001161730438 964720823 /nfs/dbraw/zinc/72/08/23/964720823.db2.gz CJRJLQYVQUGSOP-UHFFFAOYSA-N 2 1 221.348 2.398 20 0 BEADMP COC(=[NH2+])c1cccc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001162399247 964959138 /nfs/dbraw/zinc/95/91/38/964959138.db2.gz AKTOEICYAUVCJH-DGCLKSJQSA-N 2 1 247.342 2.340 20 0 BEADMP CCc1ccc(N[C@H]2CCC[C@H]([NH3+])C2)[nH+]c1 ZINC001162399314 964960088 /nfs/dbraw/zinc/96/00/88/964960088.db2.gz AYRKTQVJWFUPFZ-RYUDHWBXSA-N 2 1 219.332 2.326 20 0 BEADMP [NH3+][C@H]1CCC[C@H](Nc2[nH+]ccc3cc[nH]c32)C1 ZINC001162403399 964962309 /nfs/dbraw/zinc/96/23/09/964962309.db2.gz ZIBNLQMMYDRBOB-QWRGUYRKSA-N 2 1 230.315 2.245 20 0 BEADMP [NH3+][C@H]1CCC[C@@H](Nc2[nH+]ccc3cc[nH]c32)C1 ZINC001162403400 964963927 /nfs/dbraw/zinc/96/39/27/964963927.db2.gz ZIBNLQMMYDRBOB-WDEREUQCSA-N 2 1 230.315 2.245 20 0 BEADMP CCCCc1nc(N[C@@H]2CC[NH2+][C@@H]2C)cc(C)[nH+]1 ZINC001162670726 965104821 /nfs/dbraw/zinc/10/48/21/965104821.db2.gz ZKPGOBZBDOTCJG-VXGBXAGGSA-N 2 1 248.374 2.290 20 0 BEADMP CC1(C)[C@@H]2C[N@@H+](C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001168387793 965110526 /nfs/dbraw/zinc/11/05/26/965110526.db2.gz UPQIDGJSEKEFBS-GASCZTMLSA-N 2 1 248.414 2.449 20 0 BEADMP CSCC[N@@H+](C)C1CC[NH+](CC2CC2)CC1 ZINC001168388105 965116795 /nfs/dbraw/zinc/11/67/95/965116795.db2.gz BHJCZBBOVONSRV-UHFFFAOYSA-N 2 1 242.432 2.156 20 0 BEADMP C1=C[C@H](Nc2cccc(C3CC3)[nH+]2)[C@H]2C[NH2+]C[C@@H]12 ZINC001162801115 965188464 /nfs/dbraw/zinc/18/84/64/965188464.db2.gz GOJXYNKXPFJPFF-DYEKYZERSA-N 2 1 241.338 2.145 20 0 BEADMP CC(C)[N@H+]1CC[C@H](Nc2cccc(N)[nH+]2)[C@H](C)C1 ZINC001163365410 965371008 /nfs/dbraw/zinc/37/10/08/965371008.db2.gz ZVKAJMURYHKZIO-NEPJUHHUSA-N 2 1 248.374 2.195 20 0 BEADMP COc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c(C)c1 ZINC001205068598 965418977 /nfs/dbraw/zinc/41/89/77/965418977.db2.gz KNIKULANMIDLLK-JSGCOSHPSA-N 2 1 248.370 2.315 20 0 BEADMP COc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c(C)c1 ZINC001205068598 965418988 /nfs/dbraw/zinc/41/89/88/965418988.db2.gz KNIKULANMIDLLK-JSGCOSHPSA-N 2 1 248.370 2.315 20 0 BEADMP Cc1c(F)cccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205093661 965716134 /nfs/dbraw/zinc/71/61/34/965716134.db2.gz DIPTWDYKOJHNRW-ZDUSSCGKSA-N 2 1 236.334 2.447 20 0 BEADMP C[C@H](Cc1cccc(F)c1)n1c[nH+]cc1CC[NH3+] ZINC001168455297 965758701 /nfs/dbraw/zinc/75/87/01/965758701.db2.gz WZECAHJZUOWMBY-LLVKDONJSA-N 2 1 247.317 2.327 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)CC1 ZINC001205101193 965801362 /nfs/dbraw/zinc/80/13/62/965801362.db2.gz BFYXYLSSWRTQPA-CYBMUJFWSA-N 2 1 243.354 2.481 20 0 BEADMP CC[N@H+](CC(F)F)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699202110 965804924 /nfs/dbraw/zinc/80/49/24/965804924.db2.gz AJCZQLASOIPGJI-FGWVZKOKSA-N 2 1 232.318 2.104 20 0 BEADMP CC[N@@H+](CC(F)F)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699202110 965804925 /nfs/dbraw/zinc/80/49/25/965804925.db2.gz AJCZQLASOIPGJI-FGWVZKOKSA-N 2 1 232.318 2.104 20 0 BEADMP C(C[N@H+]1CC[C@H]2C[C@H]2C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699265298 965831838 /nfs/dbraw/zinc/83/18/38/965831838.db2.gz IEJPUDIGWNIMFR-FIEDHZCBSA-N 2 1 234.387 2.249 20 0 BEADMP CC/C=C\CCC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205131227 965935894 /nfs/dbraw/zinc/93/58/94/965935894.db2.gz VAPSSOOSRBXRTC-OEFFGFFESA-N 2 1 210.365 2.259 20 0 BEADMP CC[C@@H](C)C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235123357 966008812 /nfs/dbraw/zinc/00/88/12/966008812.db2.gz JIRJCLONQSZDNO-CHWSQXEVSA-N 2 1 210.365 2.251 20 0 BEADMP Cc1ccc(NCC[C@H]2CCC[N@H+](C)C2)[nH+]c1N ZINC001165261013 966012572 /nfs/dbraw/zinc/01/25/72/966012572.db2.gz LJNFKSFAKBTPTN-GFCCVEGCSA-N 2 1 248.374 2.116 20 0 BEADMP C[N@H+]1CCC[C@H](CCNc2cccc(C[NH3+])c2)C1 ZINC001165279822 966023499 /nfs/dbraw/zinc/02/34/99/966023499.db2.gz ZDLHMHYNRSEKCZ-CYBMUJFWSA-N 2 1 247.386 2.289 20 0 BEADMP CC[N@@H+](CCCC[NH3+])Cc1cccc(OC)c1 ZINC001235963624 966183640 /nfs/dbraw/zinc/18/36/40/966183640.db2.gz WXHPZWVJVXSIRE-UHFFFAOYSA-N 2 1 236.359 2.256 20 0 BEADMP CC1(C[NH3+])C[NH+](CCCc2ccc(F)cc2)C1 ZINC001206711239 966189929 /nfs/dbraw/zinc/18/99/29/966189929.db2.gz HFSWUAWBWFKFCZ-UHFFFAOYSA-N 2 1 236.334 2.039 20 0 BEADMP [NH3+][C@@]12CC[C@H]1C[N@H+](CC1(c3ccccc3)CC1)C2 ZINC001235977563 966189987 /nfs/dbraw/zinc/18/99/87/966189987.db2.gz HHVPVBCLELEXKW-GOEBONIOSA-N 2 1 242.366 2.141 20 0 BEADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](CC1(c3ccccc3)CC1)C2 ZINC001235977563 966189989 /nfs/dbraw/zinc/18/99/89/966189989.db2.gz HHVPVBCLELEXKW-GOEBONIOSA-N 2 1 242.366 2.141 20 0 BEADMP Cc1ccc([C@H](C)CC[NH+]2CC(C)(C[NH3+])C2)o1 ZINC001206711228 966195737 /nfs/dbraw/zinc/19/57/37/966195737.db2.gz GYHRTTJUTCCYSI-LLVKDONJSA-N 2 1 236.359 2.362 20 0 BEADMP CCc1cccc(C)c1C[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235991735 966205923 /nfs/dbraw/zinc/20/59/23/966205923.db2.gz OWFOHASOVAEHCT-GOEBONIOSA-N 2 1 244.382 2.481 20 0 BEADMP CCc1cccc(C)c1C[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235991735 966205939 /nfs/dbraw/zinc/20/59/39/966205939.db2.gz OWFOHASOVAEHCT-GOEBONIOSA-N 2 1 244.382 2.481 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C2CC2)C1 ZINC000253185307 966226840 /nfs/dbraw/zinc/22/68/40/966226840.db2.gz HZTREZVDQLQLLN-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000691657807 966287981 /nfs/dbraw/zinc/28/79/81/966287981.db2.gz AIGBDFCZIYVSAN-NEXFUWMNSA-N 2 1 236.403 2.483 20 0 BEADMP CC(C)c1ccc(C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001236412209 966409842 /nfs/dbraw/zinc/40/98/42/966409842.db2.gz JFQMGRYFLIMLNM-ZSHCYNCHSA-N 2 1 244.382 2.460 20 0 BEADMP CC(C)c1ccc(C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001236412209 966409846 /nfs/dbraw/zinc/40/98/46/966409846.db2.gz JFQMGRYFLIMLNM-ZSHCYNCHSA-N 2 1 244.382 2.460 20 0 BEADMP C[NH2+]Cc1cccc(Nc2[nH+]cc(C)cc2N)c1 ZINC001167033730 966527582 /nfs/dbraw/zinc/52/75/82/966527582.db2.gz QFZVEFMNDNWNIT-UHFFFAOYSA-N 2 1 242.326 2.435 20 0 BEADMP Cc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)oc1C ZINC001204538343 967044934 /nfs/dbraw/zinc/04/49/34/967044934.db2.gz ASJPFAPRWWNVEI-HNNXBMFYSA-N 2 1 248.370 2.424 20 0 BEADMP Cc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)oc1C ZINC001204538343 967044946 /nfs/dbraw/zinc/04/49/46/967044946.db2.gz ASJPFAPRWWNVEI-HNNXBMFYSA-N 2 1 248.370 2.424 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)oc1C ZINC001204538343 967044959 /nfs/dbraw/zinc/04/49/59/967044959.db2.gz ASJPFAPRWWNVEI-HNNXBMFYSA-N 2 1 248.370 2.424 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)oc1C ZINC001204538343 967044976 /nfs/dbraw/zinc/04/49/76/967044976.db2.gz ASJPFAPRWWNVEI-HNNXBMFYSA-N 2 1 248.370 2.424 20 0 BEADMP COc1cccc(CCC[N@@H+]2CC[C@@](C)([NH3+])C2)c1 ZINC001204763198 967154511 /nfs/dbraw/zinc/15/45/11/967154511.db2.gz HXIVVALMXPSVAZ-OAHLLOKOSA-N 2 1 248.370 2.051 20 0 BEADMP COc1cccc(CCC[N@H+]2CC[C@@](C)([NH3+])C2)c1 ZINC001204763198 967154521 /nfs/dbraw/zinc/15/45/21/967154521.db2.gz HXIVVALMXPSVAZ-OAHLLOKOSA-N 2 1 248.370 2.051 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)s1 ZINC001205093913 967337657 /nfs/dbraw/zinc/33/76/57/967337657.db2.gz HXPDJKGPSVYQRY-NSHDSACASA-N 2 1 224.373 2.370 20 0 BEADMP Cc1sccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205123976 967352189 /nfs/dbraw/zinc/35/21/89/967352189.db2.gz IAYJVZQVNWIHQP-LBPRGKRZSA-N 2 1 224.373 2.370 20 0 BEADMP COc1cccc(C)c1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205117754 967363677 /nfs/dbraw/zinc/36/36/77/967363677.db2.gz UISLUXXRFFBTLE-ZDUSSCGKSA-N 2 1 248.370 2.317 20 0 BEADMP CCc1ncc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)s1 ZINC001205124513 967368895 /nfs/dbraw/zinc/36/88/95/967368895.db2.gz TVDUDUSWBZGZDW-SNVBAGLBSA-N 2 1 239.388 2.019 20 0 BEADMP CCc1ncc(C[N@H+]2CCC[C@@H]([NH3+])CC2)s1 ZINC001205124513 967368899 /nfs/dbraw/zinc/36/88/99/967368899.db2.gz TVDUDUSWBZGZDW-SNVBAGLBSA-N 2 1 239.388 2.019 20 0 BEADMP Cc1ccc(O)cc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205123660 967370666 /nfs/dbraw/zinc/37/06/66/967370666.db2.gz DQQMMZJGHMGMGA-CYBMUJFWSA-N 2 1 234.343 2.014 20 0 BEADMP CNc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205123423 967371277 /nfs/dbraw/zinc/37/12/77/967371277.db2.gz AWNFMWWQLQLMPC-CYBMUJFWSA-N 2 1 233.359 2.042 20 0 BEADMP C[C@H]1C[N@@H+](Cc2cccc3[nH]ccc32)C[C@H]1C[NH3+] ZINC001205135930 967383491 /nfs/dbraw/zinc/38/34/91/967383491.db2.gz HQSHSLOTIGUIMI-WCQYABFASA-N 2 1 243.354 2.195 20 0 BEADMP C[C@@H](C[N@H+]1CCC[C@@](C)([NH3+])CC1)C(F)(F)F ZINC001205255007 967438369 /nfs/dbraw/zinc/43/83/69/967438369.db2.gz DORUXEYVZNXBLV-VHSXEESVSA-N 2 1 238.297 2.388 20 0 BEADMP C[C@@]1([NH3+])CCC[N@@H+](CCCc2cccnc2)CC1 ZINC001205257133 967447125 /nfs/dbraw/zinc/44/71/25/967447125.db2.gz SLZZCWZMHVBOOU-OAHLLOKOSA-N 2 1 247.386 2.218 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C[C@@H]1C[NH3+] ZINC001205297119 967494449 /nfs/dbraw/zinc/49/44/49/967494449.db2.gz ZKBTVZOWGRVMSJ-KHMAMNHCSA-N 2 1 234.387 2.115 20 0 BEADMP C[N@H+]1CCC=C(CC[NH+]2CCCCC2)C1 ZINC001250240430 967549636 /nfs/dbraw/zinc/54/96/36/967549636.db2.gz KQDPQRDMQNNHSL-UHFFFAOYSA-N 2 1 208.349 2.124 20 0 BEADMP CC/C=C\CC[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545679 967692426 /nfs/dbraw/zinc/69/24/26/967692426.db2.gz LRAUEKCSKLRDFR-DHCBQETCSA-N 2 1 228.355 2.496 20 0 BEADMP C[C@H]1CC[N@@H+](Cc2ccco2)CC[C@H]1C[NH3+] ZINC001205601952 967718213 /nfs/dbraw/zinc/71/82/13/967718213.db2.gz HCMMXMUGGXKSRQ-RYUDHWBXSA-N 2 1 222.332 2.086 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)[nH]1 ZINC001205618228 967723757 /nfs/dbraw/zinc/72/37/57/967723757.db2.gz SVGJCILYBLAVRH-WCQYABFASA-N 2 1 235.375 2.130 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)[nH]1 ZINC001205617713 967725252 /nfs/dbraw/zinc/72/52/52/967725252.db2.gz MPXODMMQUGBPDJ-SMDDNHRTSA-N 2 1 249.402 2.438 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)[nH]1 ZINC001205617711 967729997 /nfs/dbraw/zinc/72/99/97/967729997.db2.gz MPXODMMQUGBPDJ-FZMZJTMJSA-N 2 1 249.402 2.438 20 0 BEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CC=CCC2)CCC1(F)F ZINC001205736245 967807770 /nfs/dbraw/zinc/80/77/70/967807770.db2.gz WVULZPXPEZYLIN-VXGBXAGGSA-N 2 1 244.329 2.259 20 0 BEADMP [NH3+]C[C@H]1C[N@@H+](C[C@H]2CC=CCC2)CCC1(F)F ZINC001205736244 967809327 /nfs/dbraw/zinc/80/93/27/967809327.db2.gz WVULZPXPEZYLIN-RYUDHWBXSA-N 2 1 244.329 2.259 20 0 BEADMP COc1c[nH+]c(N[C@H]2CCC[C@@H]([NH3+])C2)cc1C ZINC001162393114 967825622 /nfs/dbraw/zinc/82/56/22/967825622.db2.gz IWDIFNWKXRYSES-MNOVXSKESA-N 2 1 235.331 2.080 20 0 BEADMP [NH3+][C@H]1CCC[C@@H](Nc2cccn3cc[nH+]c23)C1 ZINC001162395119 967826331 /nfs/dbraw/zinc/82/63/31/967826331.db2.gz BXEVSMNODQCRAN-WDEREUQCSA-N 2 1 230.315 2.016 20 0 BEADMP CNc1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2CN)cc1 ZINC001205851772 967855317 /nfs/dbraw/zinc/85/53/17/967855317.db2.gz BNPANYSTZGSGTI-DOMZBBRYSA-N 2 1 247.386 2.288 20 0 BEADMP CNc1ccc(C[N@H+]2C[C@H](C)CC[C@H]2CN)cc1 ZINC001205851772 967855322 /nfs/dbraw/zinc/85/53/22/967855322.db2.gz BNPANYSTZGSGTI-DOMZBBRYSA-N 2 1 247.386 2.288 20 0 BEADMP CNc1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205851772 967855328 /nfs/dbraw/zinc/85/53/28/967855328.db2.gz BNPANYSTZGSGTI-DOMZBBRYSA-N 2 1 247.386 2.288 20 0 BEADMP CNc1ccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205851772 967855330 /nfs/dbraw/zinc/85/53/30/967855330.db2.gz BNPANYSTZGSGTI-DOMZBBRYSA-N 2 1 247.386 2.288 20 0 BEADMP CCOC(C)(C)C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205982592 967930825 /nfs/dbraw/zinc/93/08/25/967930825.db2.gz MMAPRRONMHICOK-QWHCGFSZSA-N 2 1 242.407 2.108 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)[nH]1 ZINC001205991326 967944275 /nfs/dbraw/zinc/94/42/75/967944275.db2.gz ACJOBCMETNYTFQ-OCCSQVGLSA-N 2 1 249.402 2.438 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)[nH]1 ZINC001205995478 967952625 /nfs/dbraw/zinc/95/26/25/967952625.db2.gz OIPQBBFNQYVEDB-YPMHNXCESA-N 2 1 235.375 2.130 20 0 BEADMP Cc1ccncc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206003457 967957785 /nfs/dbraw/zinc/95/77/85/967957785.db2.gz IFEYKAYUHQTXJB-ZIAGYGMSSA-N 2 1 247.386 2.197 20 0 BEADMP C[C@H]1C[N@@H+](Cc2cccc(N)c2)CCC[C@@H]1C[NH3+] ZINC001206013473 967965349 /nfs/dbraw/zinc/96/53/49/967965349.db2.gz ROHKQXXPBVZDSF-GXTWGEPZSA-N 2 1 247.386 2.076 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccccc2N)CCC[C@@H]1C[NH3+] ZINC001206026208 967984265 /nfs/dbraw/zinc/98/42/65/967984265.db2.gz QXMJLTNAHKHDIN-CHWSQXEVSA-N 2 1 247.386 2.076 20 0 BEADMP C[C@H]1CCC[N@@H+](CC2(F)CC[NH2+]CC2)C[C@H]1C ZINC001206110294 968069155 /nfs/dbraw/zinc/06/91/55/968069155.db2.gz SPFRZHIIOFUONI-QWHCGFSZSA-N 2 1 242.382 2.446 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206166780 968101643 /nfs/dbraw/zinc/10/16/43/968101643.db2.gz UVUGXABKFXYGCU-ZIAGYGMSSA-N 2 1 236.334 2.256 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206166780 968101648 /nfs/dbraw/zinc/10/16/48/968101648.db2.gz UVUGXABKFXYGCU-ZIAGYGMSSA-N 2 1 236.334 2.256 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206166779 968102249 /nfs/dbraw/zinc/10/22/49/968102249.db2.gz UVUGXABKFXYGCU-UONOGXRCSA-N 2 1 236.334 2.256 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206166779 968102263 /nfs/dbraw/zinc/10/22/63/968102263.db2.gz UVUGXABKFXYGCU-UONOGXRCSA-N 2 1 236.334 2.256 20 0 BEADMP [NH3+][C@H]1CC[N@H+](Cc2ccsc2)CC[C@@H]1F ZINC001206165544 968104268 /nfs/dbraw/zinc/10/42/68/968104268.db2.gz NZLBXCQVXDDXJB-QWRGUYRKSA-N 2 1 228.336 2.009 20 0 BEADMP [NH3+][C@H]1CC[N@@H+](Cc2ccsc2)CC[C@@H]1F ZINC001206165544 968104278 /nfs/dbraw/zinc/10/42/78/968104278.db2.gz NZLBXCQVXDDXJB-QWRGUYRKSA-N 2 1 228.336 2.009 20 0 BEADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1cccc2c1CCC2 ZINC001206269855 968188283 /nfs/dbraw/zinc/18/82/83/968188283.db2.gz WTSGILDWRFYXEH-ZDUSSCGKSA-N 2 1 244.382 2.359 20 0 BEADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1cccc2c1CCC2 ZINC001206269855 968188284 /nfs/dbraw/zinc/18/82/84/968188284.db2.gz WTSGILDWRFYXEH-ZDUSSCGKSA-N 2 1 244.382 2.359 20 0 BEADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2cccc3c2CCC3)C1 ZINC001206284758 968193009 /nfs/dbraw/zinc/19/30/09/968193009.db2.gz GSGLATSZTNQMCZ-CYBMUJFWSA-N 2 1 244.382 2.217 20 0 BEADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC001206284758 968193018 /nfs/dbraw/zinc/19/30/18/968193018.db2.gz GSGLATSZTNQMCZ-CYBMUJFWSA-N 2 1 244.382 2.217 20 0 BEADMP CSCCC[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206296343 968206219 /nfs/dbraw/zinc/20/62/19/968206219.db2.gz RJPMESNWHVVXHW-LBPRGKRZSA-N 2 1 230.421 2.190 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cn1 ZINC001206312032 968219408 /nfs/dbraw/zinc/21/94/08/968219408.db2.gz YEWJQJUOXJWSMR-HNNXBMFYSA-N 2 1 247.386 2.341 20 0 BEADMP C[C@@]1(C[NH3+])CCCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC001206542012 968366858 /nfs/dbraw/zinc/36/68/58/968366858.db2.gz PEVATNWFQNBGIR-KBPBESRZSA-N 2 1 240.391 2.006 20 0 BEADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccccn2)C1 ZINC001206540181 968366924 /nfs/dbraw/zinc/36/69/24/968366924.db2.gz BAKPKQLVMVHUHE-CQSZACIVSA-N 2 1 233.359 2.033 20 0 BEADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cnsc2)C1 ZINC001206565008 968387178 /nfs/dbraw/zinc/38/71/78/968387178.db2.gz SIYCWCMRCSWACS-GFCCVEGCSA-N 2 1 239.388 2.094 20 0 BEADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cnsc2)C1 ZINC001206565008 968387184 /nfs/dbraw/zinc/38/71/84/968387184.db2.gz SIYCWCMRCSWACS-GFCCVEGCSA-N 2 1 239.388 2.094 20 0 BEADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(N)c2)C1 ZINC001206563511 968388830 /nfs/dbraw/zinc/38/88/30/968388830.db2.gz FIMGCSYDTAEMDO-OAHLLOKOSA-N 2 1 247.386 2.220 20 0 BEADMP Cc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)ccc1O ZINC001206622384 968422958 /nfs/dbraw/zinc/42/29/58/968422958.db2.gz BBENJEMMSLBWDW-AWEZNQCLSA-N 2 1 248.370 2.261 20 0 BEADMP Cc1cccc2[nH]cc(C[NH+]3CC(C)(C[NH3+])C3)c21 ZINC001206718599 968440627 /nfs/dbraw/zinc/44/06/27/968440627.db2.gz VBNQYAVMWLKYQS-UHFFFAOYSA-N 2 1 243.354 2.257 20 0 BEADMP Cc1cccnc1CCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000822112412 968510731 /nfs/dbraw/zinc/51/07/31/968510731.db2.gz UWCDPCIHNKSKKV-HIFRSBDPSA-N 2 1 247.386 2.053 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001207275243 968708520 /nfs/dbraw/zinc/70/85/20/968708520.db2.gz LELPIYTYORAEMQ-BETUJISGSA-N 2 1 224.392 2.306 20 0 BEADMP C[C@H]1C[C@@H](CF)[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001207391719 968744838 /nfs/dbraw/zinc/74/48/38/968744838.db2.gz NIZXPRLGLUYUBH-AAEUAGOBSA-N 2 1 228.355 2.008 20 0 BEADMP C[NH+]1CCC(C[N@H+]2Cc3ccc(F)cc3C2)CC1 ZINC001207398855 968751464 /nfs/dbraw/zinc/75/14/64/968751464.db2.gz RLTSFDYELSUKHA-UHFFFAOYSA-N 2 1 248.345 2.483 20 0 BEADMP C[N@@H+](CC1CC(F)(F)C1)CC1CC[NH+](C)CC1 ZINC001207398856 968752602 /nfs/dbraw/zinc/75/26/02/968752602.db2.gz RLXKPIDJWQACBI-UHFFFAOYSA-N 2 1 246.345 2.305 20 0 BEADMP C[C@H]1CC[C@H]([N@@H+](C)CC2CC[NH2+]CC2)CC1 ZINC001207443012 968776161 /nfs/dbraw/zinc/77/61/61/968776161.db2.gz KSAFXJWHFIIURS-MQMHXKEQSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1C[C@@H](CF)[N@@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207479594 968791770 /nfs/dbraw/zinc/79/17/70/968791770.db2.gz KKNDOFQPGMTYPQ-JSGCOSHPSA-N 2 1 242.382 2.398 20 0 BEADMP CCC[N@@H+](CCOC)CCC1CC[NH+](C)CC1 ZINC001207479598 968794064 /nfs/dbraw/zinc/79/40/64/968794064.db2.gz KKPXDJHKEUJPSW-UHFFFAOYSA-N 2 1 242.407 2.077 20 0 BEADMP C[N@@H+](CCC1CC[NH+](C)CC1)C(C)(C)C ZINC001207485875 968796474 /nfs/dbraw/zinc/79/64/74/968796474.db2.gz ZAWXWKBVFHLMPH-UHFFFAOYSA-N 2 1 212.381 2.449 20 0 BEADMP C[NH+]1CCC(CC[N@H+]2CCC3(CC3)C2)CC1 ZINC001207482660 968796909 /nfs/dbraw/zinc/79/69/09/968796909.db2.gz ZVSDXMVDYBJJEP-UHFFFAOYSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CCC(CC[N@H+]2CCC[C@H](F)C2)CC1 ZINC001207482366 968798188 /nfs/dbraw/zinc/79/81/88/968798188.db2.gz BOQFVOGEOYWDMG-ZDUSSCGKSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC(CC[N@H+]2CCc3occc3C2)CC1 ZINC001207486533 968799444 /nfs/dbraw/zinc/79/94/44/968799444.db2.gz JUTHSPDABYBZMV-UHFFFAOYSA-N 2 1 248.370 2.370 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]2C1 ZINC001207620064 968840987 /nfs/dbraw/zinc/84/09/87/968840987.db2.gz HMJCRRCXOUHDCZ-OTJKEOIZSA-N 2 1 246.398 2.082 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]2C1 ZINC001207620064 968840991 /nfs/dbraw/zinc/84/09/91/968840991.db2.gz HMJCRRCXOUHDCZ-OTJKEOIZSA-N 2 1 246.398 2.082 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]2C1 ZINC001207620064 968840999 /nfs/dbraw/zinc/84/09/99/968840999.db2.gz HMJCRRCXOUHDCZ-OTJKEOIZSA-N 2 1 246.398 2.082 20 0 BEADMP COC(C)(C)C[N@@H+](C)CCCCCCC[NH3+] ZINC000404211044 968855421 /nfs/dbraw/zinc/85/54/21/968855421.db2.gz VDQXMJAMLWFQCD-UHFFFAOYSA-N 2 1 230.396 2.252 20 0 BEADMP C[NH+]1CCC(C)(C[N@H+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC001208114430 968995728 /nfs/dbraw/zinc/99/57/28/968995728.db2.gz WVASJUKPZOMNKA-QWHCGFSZSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H]1CCC[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208104262 969003976 /nfs/dbraw/zinc/00/39/76/969003976.db2.gz KJLZWBRAGXWAAR-ZDUSSCGKSA-N 2 1 224.392 2.450 20 0 BEADMP C[N@H+]1CCC=C(c2ccc3c(c2)CC[NH2+]C3)C1 ZINC001241569631 969059613 /nfs/dbraw/zinc/05/96/13/969059613.db2.gz JHWSAZMCFCQYKB-UHFFFAOYSA-N 2 1 228.339 2.051 20 0 BEADMP CS[C@H](C)CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001208145584 969068531 /nfs/dbraw/zinc/06/85/31/969068531.db2.gz YNJPVISGSXKICW-UPJWGTAASA-N 2 1 242.432 2.012 20 0 BEADMP CS[C@H](C)CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001208145584 969068540 /nfs/dbraw/zinc/06/85/40/969068540.db2.gz YNJPVISGSXKICW-UPJWGTAASA-N 2 1 242.432 2.012 20 0 BEADMP CS[C@H](C)CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001208145584 969068551 /nfs/dbraw/zinc/06/85/51/969068551.db2.gz YNJPVISGSXKICW-UPJWGTAASA-N 2 1 242.432 2.012 20 0 BEADMP C[C@@H]1CC[N@H+]1CC1(C[NH+](C)C)CCCC1 ZINC001208185287 969118706 /nfs/dbraw/zinc/11/87/06/969118706.db2.gz ZPLXZWBEQJPZAI-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP CC(C)Oc1cc[nH+]c(N[C@H](C)C[NH+](C)C)c1 ZINC001155915226 969125121 /nfs/dbraw/zinc/12/51/21/969125121.db2.gz FOVNISIESNWWFS-LLVKDONJSA-N 2 1 237.347 2.231 20 0 BEADMP C[C@H](C[NH3+])C[N@@H+](C)C1CCC2(CC2)CC1 ZINC000723428309 969146004 /nfs/dbraw/zinc/14/60/04/969146004.db2.gz XNHGGAMNIONXRJ-LLVKDONJSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]1C[N@@H+](C[C@H]2CCC[NH+](C)C2)CCC1(F)F ZINC001208609275 969147013 /nfs/dbraw/zinc/14/70/13/969147013.db2.gz ZYJZLEJZRJHNIO-RYUDHWBXSA-N 2 1 246.345 2.305 20 0 BEADMP C[C@H]1C[NH+](C[C@H]2CCC[N@H+](C)C2)CCC1(F)F ZINC001208609275 969147018 /nfs/dbraw/zinc/14/70/18/969147018.db2.gz ZYJZLEJZRJHNIO-RYUDHWBXSA-N 2 1 246.345 2.305 20 0 BEADMP C[C@H]1C[NH+](C[C@H]2CCC[N@@H+](C)C2)CCC1(F)F ZINC001208609275 969147024 /nfs/dbraw/zinc/14/70/24/969147024.db2.gz ZYJZLEJZRJHNIO-RYUDHWBXSA-N 2 1 246.345 2.305 20 0 BEADMP CC[NH+]1CCC(C[N@@H+](C)Cc2ccccn2)CC1 ZINC001208595149 969151378 /nfs/dbraw/zinc/15/13/78/969151378.db2.gz QLJHDPUDEAPRIQ-UHFFFAOYSA-N 2 1 247.386 2.245 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCc3ccccc3C2)C1 ZINC001208605070 969154901 /nfs/dbraw/zinc/15/49/01/969154901.db2.gz XZFPIMOIUQHKQO-CQSZACIVSA-N 2 1 244.382 2.387 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCc3ccccc3C2)C1 ZINC001208605070 969154904 /nfs/dbraw/zinc/15/49/04/969154904.db2.gz XZFPIMOIUQHKQO-CQSZACIVSA-N 2 1 244.382 2.387 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@H+]2CCc3ccccc3C2)C1 ZINC001208605070 969154909 /nfs/dbraw/zinc/15/49/09/969154909.db2.gz XZFPIMOIUQHKQO-CQSZACIVSA-N 2 1 244.382 2.387 20 0 BEADMP CC(C)[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208612117 969169100 /nfs/dbraw/zinc/16/91/00/969169100.db2.gz BHRAHRKCODZWFT-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208612117 969169106 /nfs/dbraw/zinc/16/91/06/969169106.db2.gz BHRAHRKCODZWFT-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[C@@H]1CCC[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC001208612117 969169108 /nfs/dbraw/zinc/16/91/08/969169108.db2.gz BHRAHRKCODZWFT-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[C@@H]1CCC[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC001208612117 969169112 /nfs/dbraw/zinc/16/91/12/969169112.db2.gz BHRAHRKCODZWFT-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)ccn1 ZINC001205991628 969210983 /nfs/dbraw/zinc/21/09/83/969210983.db2.gz BCMLJZUQJNZGKH-SWLSCSKDSA-N 2 1 247.386 2.197 20 0 BEADMP CCCCC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001253549800 969220841 /nfs/dbraw/zinc/22/08/41/969220841.db2.gz GCEBBQNWXWIKLB-KGLIPLIRSA-N 2 1 242.407 2.002 20 0 BEADMP Cc1cncc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001205993510 969227071 /nfs/dbraw/zinc/22/70/71/969227071.db2.gz HZDXHXGFXVERKA-HIFRSBDPSA-N 2 1 247.386 2.197 20 0 BEADMP C[NH+](C)Cc1cccc(NC2=CC[N@@H+](C)CC2)c1 ZINC001208837472 969250478 /nfs/dbraw/zinc/25/04/78/969250478.db2.gz JNDNZKJILBOUBG-UHFFFAOYSA-N 2 1 245.370 2.380 20 0 BEADMP Cc1cccnc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205996549 969352161 /nfs/dbraw/zinc/35/21/61/969352161.db2.gz XEXVYGVTGIQLPQ-UONOGXRCSA-N 2 1 247.386 2.197 20 0 BEADMP CC(C)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078823 969398542 /nfs/dbraw/zinc/39/85/42/969398542.db2.gz HPDLMMYBHNDDBF-CLLJXQQHSA-N 2 1 210.365 2.247 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)C1CC1)C2 ZINC001169078324 969398661 /nfs/dbraw/zinc/39/86/61/969398661.db2.gz CUMLVMZIHPJRKQ-XYYAHUGASA-N 2 1 222.376 2.390 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001169080441 969403083 /nfs/dbraw/zinc/40/30/83/969403083.db2.gz NMYGGOLFSINENC-CYUUQNCZSA-N 2 1 245.370 2.357 20 0 BEADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001169080446 969403112 /nfs/dbraw/zinc/40/31/12/969403112.db2.gz NMYGGOLFSINENC-NGFQHRJXSA-N 2 1 245.370 2.357 20 0 BEADMP C[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169082294 969404157 /nfs/dbraw/zinc/40/41/57/969404157.db2.gz YOQHIUQNLZTACV-QSLWVIQJSA-N 2 1 222.376 2.390 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC13CCC3)C2 ZINC001169116575 969412578 /nfs/dbraw/zinc/41/25/78/969412578.db2.gz RDVRBPYOQUAPQL-RVMXOQNASA-N 2 1 220.360 2.144 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(F)(F)CC1)C2 ZINC001169124282 969421611 /nfs/dbraw/zinc/42/16/11/969421611.db2.gz BKFCLZPGSUXCJK-GDNZZTSVSA-N 2 1 244.329 2.343 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(F)(F)CC1)C2 ZINC001169124282 969421620 /nfs/dbraw/zinc/42/16/20/969421620.db2.gz BKFCLZPGSUXCJK-GDNZZTSVSA-N 2 1 244.329 2.343 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C)(F)CC1)C2 ZINC001169125407 969423278 /nfs/dbraw/zinc/42/32/78/969423278.db2.gz HTYXSBGUUCWABF-CLLJXQQHSA-N 2 1 240.366 2.436 20 0 BEADMP CCC[N@@H+](CC)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125022 969426657 /nfs/dbraw/zinc/42/66/57/969426657.db2.gz WHKCAERBVZNHLL-ITGUQSILSA-N 2 1 210.365 2.344 20 0 BEADMP CCC[NH+](CC)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169125022 969426660 /nfs/dbraw/zinc/42/66/60/969426660.db2.gz WHKCAERBVZNHLL-ITGUQSILSA-N 2 1 210.365 2.344 20 0 BEADMP CCC[NH+](CC)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125022 969426668 /nfs/dbraw/zinc/42/66/68/969426668.db2.gz WHKCAERBVZNHLL-ITGUQSILSA-N 2 1 210.365 2.344 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@](C)(F)C1)C2 ZINC001169126069 969427907 /nfs/dbraw/zinc/42/79/07/969427907.db2.gz OPUPAIWOSSYJOH-XJFOESAGSA-N 2 1 240.366 2.436 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@](C)(F)C1)C2 ZINC001169126069 969427910 /nfs/dbraw/zinc/42/79/10/969427910.db2.gz OPUPAIWOSSYJOH-XJFOESAGSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@](C)(F)C1)C2 ZINC001169126069 969427916 /nfs/dbraw/zinc/42/79/16/969427916.db2.gz OPUPAIWOSSYJOH-XJFOESAGSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@](C)(F)C1)C2 ZINC001169126069 969427919 /nfs/dbraw/zinc/42/79/19/969427919.db2.gz OPUPAIWOSSYJOH-XJFOESAGSA-N 2 1 240.366 2.436 20 0 BEADMP C[N@H+](CCOc1ccccc1)C1CC[NH+](C)CC1 ZINC001209296436 969429244 /nfs/dbraw/zinc/42/92/44/969429244.db2.gz QIZANKAUPCZSPJ-UHFFFAOYSA-N 2 1 248.370 2.091 20 0 BEADMP C[N@@H+](CCOc1ccccc1)C1CC[NH+](C)CC1 ZINC001209296436 969429247 /nfs/dbraw/zinc/42/92/47/969429247.db2.gz QIZANKAUPCZSPJ-UHFFFAOYSA-N 2 1 248.370 2.091 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC[C@@H](F)C1)C2 ZINC001169126565 969429967 /nfs/dbraw/zinc/42/99/67/969429967.db2.gz WJMJAGXIPJWLHS-YIYPIFLZSA-N 2 1 240.366 2.436 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC[C@@H](F)C1)C2 ZINC001169126565 969429970 /nfs/dbraw/zinc/42/99/70/969429970.db2.gz WJMJAGXIPJWLHS-YIYPIFLZSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC[C@@H](F)C1)C2 ZINC001169126565 969429980 /nfs/dbraw/zinc/42/99/80/969429980.db2.gz WJMJAGXIPJWLHS-YIYPIFLZSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC[C@@H](F)C1)C2 ZINC001169126565 969429985 /nfs/dbraw/zinc/42/99/85/969429985.db2.gz WJMJAGXIPJWLHS-YIYPIFLZSA-N 2 1 240.366 2.436 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@](C)(CF)C1)C2 ZINC001169126496 969431721 /nfs/dbraw/zinc/43/17/21/969431721.db2.gz VHCBWORKGPQETO-CRWXNKLISA-N 2 1 240.366 2.293 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@](C)(CF)C1)C2 ZINC001169126496 969431734 /nfs/dbraw/zinc/43/17/34/969431734.db2.gz VHCBWORKGPQETO-CRWXNKLISA-N 2 1 240.366 2.293 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@](C)(CF)C1)C2 ZINC001169126496 969431738 /nfs/dbraw/zinc/43/17/38/969431738.db2.gz VHCBWORKGPQETO-CRWXNKLISA-N 2 1 240.366 2.293 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@@H]3CCC[C@@H]3C1)C2 ZINC001169126545 969433540 /nfs/dbraw/zinc/43/35/40/969433540.db2.gz WCSDJRGANQPYBN-OYQDBORRSA-N 2 1 234.387 2.344 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3CCC[C@@H]3C1)C2 ZINC001169126545 969433545 /nfs/dbraw/zinc/43/35/45/969433545.db2.gz WCSDJRGANQPYBN-OYQDBORRSA-N 2 1 234.387 2.344 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@@H]3CCC[C@@H]3C1)C2 ZINC001169126545 969433550 /nfs/dbraw/zinc/43/35/50/969433550.db2.gz WCSDJRGANQPYBN-OYQDBORRSA-N 2 1 234.387 2.344 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@](C)(CF)C1)C2 ZINC001169126497 969434543 /nfs/dbraw/zinc/43/45/43/969434543.db2.gz VHCBWORKGPQETO-DGAVXFQQSA-N 2 1 240.366 2.293 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@](C)(CF)C1)C2 ZINC001169126497 969434550 /nfs/dbraw/zinc/43/45/50/969434550.db2.gz VHCBWORKGPQETO-DGAVXFQQSA-N 2 1 240.366 2.293 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@](C)(CF)C1)C2 ZINC001169126497 969434553 /nfs/dbraw/zinc/43/45/53/969434553.db2.gz VHCBWORKGPQETO-DGAVXFQQSA-N 2 1 240.366 2.293 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC3)CC1)C2 ZINC001169131592 969438216 /nfs/dbraw/zinc/43/82/16/969438216.db2.gz WGJJHWCDGTUHLV-BTTYYORXSA-N 2 1 234.387 2.488 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC3)CC1)C2 ZINC001169131592 969438234 /nfs/dbraw/zinc/43/82/34/969438234.db2.gz WGJJHWCDGTUHLV-BTTYYORXSA-N 2 1 234.387 2.488 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1C=CCCC1)C2 ZINC001169115283 969455728 /nfs/dbraw/zinc/45/57/28/969455728.db2.gz ICHMIQQWVOQYMS-YIYPIFLZSA-N 2 1 220.360 2.310 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC=CCC1)C2 ZINC001169115627 969457146 /nfs/dbraw/zinc/45/71/46/969457146.db2.gz LSDHQZBBRRRMPY-FQUUOJAGSA-N 2 1 220.360 2.310 20 0 BEADMP C[C@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C2(CC2)C1 ZINC001169156739 969475328 /nfs/dbraw/zinc/47/53/28/969475328.db2.gz ZUAXHPHTVAAKBY-YIYPIFLZSA-N 2 1 234.387 2.486 20 0 BEADMP C[C@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C2(CC2)C1 ZINC001169156739 969475334 /nfs/dbraw/zinc/47/53/34/969475334.db2.gz ZUAXHPHTVAAKBY-YIYPIFLZSA-N 2 1 234.387 2.486 20 0 BEADMP C[C@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2(CC2)C1 ZINC001169156739 969475345 /nfs/dbraw/zinc/47/53/45/969475345.db2.gz ZUAXHPHTVAAKBY-YIYPIFLZSA-N 2 1 234.387 2.486 20 0 BEADMP C[C@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2(CC2)C1 ZINC001169156739 969475353 /nfs/dbraw/zinc/47/53/53/969475353.db2.gz ZUAXHPHTVAAKBY-YIYPIFLZSA-N 2 1 234.387 2.486 20 0 BEADMP CC[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169161717 969479030 /nfs/dbraw/zinc/47/90/30/969479030.db2.gz PTBWHWPANJIJFU-MQYQWHSLSA-N 2 1 222.376 2.344 20 0 BEADMP CC[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169161717 969479039 /nfs/dbraw/zinc/47/90/39/969479039.db2.gz PTBWHWPANJIJFU-MQYQWHSLSA-N 2 1 222.376 2.344 20 0 BEADMP CC[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169161717 969479047 /nfs/dbraw/zinc/47/90/47/969479047.db2.gz PTBWHWPANJIJFU-MQYQWHSLSA-N 2 1 222.376 2.344 20 0 BEADMP C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001209452427 969516535 /nfs/dbraw/zinc/51/65/35/969516535.db2.gz OTSCCUPDJDIVEM-UONOGXRCSA-N 2 1 222.376 2.347 20 0 BEADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001209452427 969516537 /nfs/dbraw/zinc/51/65/37/969516537.db2.gz OTSCCUPDJDIVEM-UONOGXRCSA-N 2 1 222.376 2.347 20 0 BEADMP F[C@H]1C[C@@H]2C[C@H]1C[N@H+]2CCC[NH+]1CCCCC1 ZINC001209451112 969519762 /nfs/dbraw/zinc/51/97/62/969519762.db2.gz SQVZDLANODCBJR-IHRRRGAJSA-N 2 1 240.366 2.295 20 0 BEADMP CCN1CCC([N@H+]2CCC[C@](C)(F)C2)CC1 ZINC001169246260 969535097 /nfs/dbraw/zinc/53/50/97/969535097.db2.gz RAMYFWVTSXVSHJ-ZDUSSCGKSA-N 2 1 228.355 2.295 20 0 BEADMP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001209730794 969588034 /nfs/dbraw/zinc/58/80/34/969588034.db2.gz IVZHKMCPNYQDBI-RISCZKNCSA-N 2 1 231.343 2.259 20 0 BEADMP Nc1cc[nH+]cc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001209730794 969588037 /nfs/dbraw/zinc/58/80/37/969588037.db2.gz IVZHKMCPNYQDBI-RISCZKNCSA-N 2 1 231.343 2.259 20 0 BEADMP Nc1cc[nH+]cc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001209729662 969588540 /nfs/dbraw/zinc/58/85/40/969588540.db2.gz QNPVHIKAIMDTJL-TXEJJXNPSA-N 2 1 231.343 2.116 20 0 BEADMP Nc1cc[nH+]cc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001209729662 969588546 /nfs/dbraw/zinc/58/85/46/969588546.db2.gz QNPVHIKAIMDTJL-TXEJJXNPSA-N 2 1 231.343 2.116 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2CCCC[C@H](F)C2)CC1 ZINC001254516449 969690282 /nfs/dbraw/zinc/69/02/82/969690282.db2.gz MLMMHUPJBRLPSO-STQMWFEESA-N 2 1 228.355 2.295 20 0 BEADMP C[NH+]1CCC[C@H]([N@@H+]2CCCC[C@H](F)C2)CC1 ZINC001254516449 969690289 /nfs/dbraw/zinc/69/02/89/969690289.db2.gz MLMMHUPJBRLPSO-STQMWFEESA-N 2 1 228.355 2.295 20 0 BEADMP C[NH+]1CCC[C@H]([N@H+]2CCCC[C@H](F)C2)CC1 ZINC001254516449 969690296 /nfs/dbraw/zinc/69/02/96/969690296.db2.gz MLMMHUPJBRLPSO-STQMWFEESA-N 2 1 228.355 2.295 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2CCCC[C@@H](F)C2)CC1 ZINC001254516447 969692496 /nfs/dbraw/zinc/69/24/96/969692496.db2.gz MLMMHUPJBRLPSO-OLZOCXBDSA-N 2 1 228.355 2.295 20 0 BEADMP C[NH+]1CCC[C@H]([N@@H+]2CCCC[C@@H](F)C2)CC1 ZINC001254516447 969692501 /nfs/dbraw/zinc/69/25/01/969692501.db2.gz MLMMHUPJBRLPSO-OLZOCXBDSA-N 2 1 228.355 2.295 20 0 BEADMP C[NH+]1CCC[C@H]([N@H+]2CCCC[C@@H](F)C2)CC1 ZINC001254516447 969692506 /nfs/dbraw/zinc/69/25/06/969692506.db2.gz MLMMHUPJBRLPSO-OLZOCXBDSA-N 2 1 228.355 2.295 20 0 BEADMP C[N@@H+](CCc1ccccn1)[C@H]1CCC[NH+](C)CC1 ZINC001254516810 969694820 /nfs/dbraw/zinc/69/48/20/969694820.db2.gz PZNPTXQHKANWAO-HNNXBMFYSA-N 2 1 247.386 2.040 20 0 BEADMP C[NH+](CCc1ccccn1)[C@H]1CCC[N@H+](C)CC1 ZINC001254516810 969694824 /nfs/dbraw/zinc/69/48/24/969694824.db2.gz PZNPTXQHKANWAO-HNNXBMFYSA-N 2 1 247.386 2.040 20 0 BEADMP C[NH+](CCc1ccccn1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254516810 969694830 /nfs/dbraw/zinc/69/48/30/969694830.db2.gz PZNPTXQHKANWAO-HNNXBMFYSA-N 2 1 247.386 2.040 20 0 BEADMP C[N@@H+](CCc1ccccn1)[C@@H]1CCC[NH+](C)CC1 ZINC001254516811 969700420 /nfs/dbraw/zinc/70/04/20/969700420.db2.gz PZNPTXQHKANWAO-OAHLLOKOSA-N 2 1 247.386 2.040 20 0 BEADMP C[NH+](CCc1ccccn1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254516811 969700436 /nfs/dbraw/zinc/70/04/36/969700436.db2.gz PZNPTXQHKANWAO-OAHLLOKOSA-N 2 1 247.386 2.040 20 0 BEADMP C[NH+](CCc1ccccn1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254516811 969700453 /nfs/dbraw/zinc/70/04/53/969700453.db2.gz PZNPTXQHKANWAO-OAHLLOKOSA-N 2 1 247.386 2.040 20 0 BEADMP CC[N@H+](Cc1cccnc1)[C@H]1CCC[NH+](C)CC1 ZINC001254523617 969710971 /nfs/dbraw/zinc/71/09/71/969710971.db2.gz QFPHYTYMIDXPRC-HNNXBMFYSA-N 2 1 247.386 2.388 20 0 BEADMP CC[N@@H+](Cc1cccnc1)[C@H]1CCC[NH+](C)CC1 ZINC001254523617 969710980 /nfs/dbraw/zinc/71/09/80/969710980.db2.gz QFPHYTYMIDXPRC-HNNXBMFYSA-N 2 1 247.386 2.388 20 0 BEADMP CC[NH+](Cc1cccnc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254523617 969710989 /nfs/dbraw/zinc/71/09/89/969710989.db2.gz QFPHYTYMIDXPRC-HNNXBMFYSA-N 2 1 247.386 2.388 20 0 BEADMP CC[NH+](Cc1cccnc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254523617 969710995 /nfs/dbraw/zinc/71/09/95/969710995.db2.gz QFPHYTYMIDXPRC-HNNXBMFYSA-N 2 1 247.386 2.388 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(CF)CC2)CC1 ZINC001254523247 969711751 /nfs/dbraw/zinc/71/17/51/969711751.db2.gz MOJMADBQEZRDET-CYBMUJFWSA-N 2 1 228.355 2.152 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254524916 969715419 /nfs/dbraw/zinc/71/54/19/969715419.db2.gz DQWJPHYCYNZQFJ-MJBXVCDLSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1C[C@H](C)C[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254524916 969715430 /nfs/dbraw/zinc/71/54/30/969715430.db2.gz DQWJPHYCYNZQFJ-MJBXVCDLSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1C[C@H](C)C[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254524916 969715437 /nfs/dbraw/zinc/71/54/37/969715437.db2.gz DQWJPHYCYNZQFJ-MJBXVCDLSA-N 2 1 224.392 2.449 20 0 BEADMP C[N@@H+]1CCC[C@H]([NH+]2CC3CCC2CC3)CC1 ZINC001254526621 969716446 /nfs/dbraw/zinc/71/64/46/969716446.db2.gz RYSXSOZWPDQKSG-MOKVOYLWSA-N 2 1 222.376 2.345 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2CC3CCC2CC3)CC1 ZINC001254526621 969716453 /nfs/dbraw/zinc/71/64/53/969716453.db2.gz RYSXSOZWPDQKSG-MOKVOYLWSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@H]([N@@H+]2CC3CCC2CC3)CC1 ZINC001254526621 969716463 /nfs/dbraw/zinc/71/64/63/969716463.db2.gz RYSXSOZWPDQKSG-MOKVOYLWSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@H]([N@H+]2CC3CCC2CC3)CC1 ZINC001254526621 969716471 /nfs/dbraw/zinc/71/64/71/969716471.db2.gz RYSXSOZWPDQKSG-MOKVOYLWSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+](C)CCC(C)(C)Nc1nc2[nH]ccc2c[nH+]1 ZINC001169716734 969829577 /nfs/dbraw/zinc/82/95/77/969829577.db2.gz VHQLOXSZXYAXFV-UHFFFAOYSA-N 2 1 247.346 2.052 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2CC[NH2+][C@@H](C)CC2)c1 ZINC001210474598 969899422 /nfs/dbraw/zinc/89/94/22/969899422.db2.gz GXGPJABIAJDXBQ-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CC[NH2+][C@@H](C)CC2)c1 ZINC001210474598 969899424 /nfs/dbraw/zinc/89/94/24/969899424.db2.gz GXGPJABIAJDXBQ-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP CC1(C)C[N@@H+](CCCC[NH3+])CCC1(F)F ZINC001210561509 969940668 /nfs/dbraw/zinc/94/06/68/969940668.db2.gz NTXVSNHETQDMMC-UHFFFAOYSA-N 2 1 220.307 2.093 20 0 BEADMP C[N@@H+]1C[C@@H]2C[NH+](C3CCC(C)(C)CC3)C[C@@H]2C1 ZINC001255307476 970073715 /nfs/dbraw/zinc/07/37/15/970073715.db2.gz CQZHXHICYYSSEB-BETUJISGSA-N 2 1 236.403 2.449 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+](C3CCC(C)(C)CC3)C[C@@H]2C1 ZINC001255307476 970073724 /nfs/dbraw/zinc/07/37/24/970073724.db2.gz CQZHXHICYYSSEB-BETUJISGSA-N 2 1 236.403 2.449 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](C3CCC(C)(C)CC3)C[C@@H]2C1 ZINC001255307476 970073738 /nfs/dbraw/zinc/07/37/38/970073738.db2.gz CQZHXHICYYSSEB-BETUJISGSA-N 2 1 236.403 2.449 20 0 BEADMP [NH2+]=CN[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255387976 970127205 /nfs/dbraw/zinc/12/72/05/970127205.db2.gz WQMOBMOGAJFUCV-CQSZACIVSA-N 2 1 231.343 2.238 20 0 BEADMP C[N@H+]1CCC[C@@H](n2ccc3cc(C[NH3+])ccc32)C1 ZINC001255466258 970193572 /nfs/dbraw/zinc/19/35/72/970193572.db2.gz LYSOKTAQGRPGCB-CQSZACIVSA-N 2 1 243.354 2.367 20 0 BEADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CC[C@@H](C)C1 ZINC001170098445 970274288 /nfs/dbraw/zinc/27/42/88/970274288.db2.gz RVPNLULJLGRCLN-KOLCDFICSA-N 2 1 207.321 2.054 20 0 BEADMP COC[C@H](C)[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001255575845 970371412 /nfs/dbraw/zinc/37/14/12/970371412.db2.gz JVXKZBQTZAMONP-ZDUSSCGKSA-N 2 1 242.407 2.074 20 0 BEADMP C[C@H]1CC[C@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001170134624 970408220 /nfs/dbraw/zinc/40/82/20/970408220.db2.gz CUMNUOVRIVWWJU-CRWXNKLISA-N 2 1 222.376 2.059 20 0 BEADMP C[C@H]1CC[C@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C1 ZINC001170134624 970408228 /nfs/dbraw/zinc/40/82/28/970408228.db2.gz CUMNUOVRIVWWJU-CRWXNKLISA-N 2 1 222.376 2.059 20 0 BEADMP C[C@H]1CC[C@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C1 ZINC001170134624 970408236 /nfs/dbraw/zinc/40/82/36/970408236.db2.gz CUMNUOVRIVWWJU-CRWXNKLISA-N 2 1 222.376 2.059 20 0 BEADMP C[C@H]([NH3+])c1nccn1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255661886 970442188 /nfs/dbraw/zinc/44/21/88/970442188.db2.gz DWPHZWXIDWHONC-ACJTYDJDSA-N 2 1 248.374 2.091 20 0 BEADMP C[C@H](Cc1ccccc1F)[N@H+](C)C[C@@H](C)C[NH3+] ZINC001255841326 970512825 /nfs/dbraw/zinc/51/28/25/970512825.db2.gz RTIAIMVEZPOHGW-NWDGAFQWSA-N 2 1 238.350 2.283 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@H](C)C1 ZINC001255956751 970597556 /nfs/dbraw/zinc/59/75/56/970597556.db2.gz MCXFSMOPAAOKLB-QWHCGFSZSA-N 2 1 212.381 2.449 20 0 BEADMP CCO[C@@H]1CC[N@H+]([C@H](C)CC[NH+](CC)CC)C1 ZINC001255973106 970608345 /nfs/dbraw/zinc/60/83/45/970608345.db2.gz XPVOLAREKKECFG-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@H](C(C)=O)C1 ZINC001255970315 970609463 /nfs/dbraw/zinc/60/94/63/970609463.db2.gz CBCNVPUKLKQONW-OCCSQVGLSA-N 2 1 240.391 2.018 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@H](C(C)=O)C1 ZINC001255970315 970609466 /nfs/dbraw/zinc/60/94/66/970609466.db2.gz CBCNVPUKLKQONW-OCCSQVGLSA-N 2 1 240.391 2.018 20 0 BEADMP F[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256066614 970630169 /nfs/dbraw/zinc/63/01/69/970630169.db2.gz JUYHZBNVXBQKDY-SMDDNHRTSA-N 2 1 240.366 2.341 20 0 BEADMP C[C@H]1CCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073225 970639569 /nfs/dbraw/zinc/63/95/69/970639569.db2.gz PCTKIUWIOIVBDN-LBPRGKRZSA-N 2 1 222.376 2.345 20 0 BEADMP C[C@H]1CCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073225 970639578 /nfs/dbraw/zinc/63/95/78/970639578.db2.gz PCTKIUWIOIVBDN-LBPRGKRZSA-N 2 1 222.376 2.345 20 0 BEADMP FCC1CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256079379 970645477 /nfs/dbraw/zinc/64/54/77/970645477.db2.gz ITYKKQDMKJNIOT-UHFFFAOYSA-N 2 1 240.366 2.295 20 0 BEADMP FC[C@@H]1CCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256080589 970645744 /nfs/dbraw/zinc/64/57/44/970645744.db2.gz ZHEWARXUWHEMSS-LBPRGKRZSA-N 2 1 240.366 2.295 20 0 BEADMP FC[C@@H]1CCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256080589 970645754 /nfs/dbraw/zinc/64/57/54/970645754.db2.gz ZHEWARXUWHEMSS-LBPRGKRZSA-N 2 1 240.366 2.295 20 0 BEADMP C[NH+]1CCC([NH2+]CCCCc2ccccn2)CC1 ZINC001256196483 970688690 /nfs/dbraw/zinc/68/86/90/970688690.db2.gz ODLXMSQCEQNFMQ-UHFFFAOYSA-N 2 1 247.386 2.088 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC001256197795 970691473 /nfs/dbraw/zinc/69/14/73/970691473.db2.gz SLPDFVNOGXVMHS-CABCVRRESA-N 2 1 248.345 2.365 20 0 BEADMP CC(C)CC[C@@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001256357582 970734757 /nfs/dbraw/zinc/73/47/57/970734757.db2.gz IBYATORXIZULOB-NWDGAFQWSA-N 2 1 200.370 2.338 20 0 BEADMP CSCC[C@@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246549574 972698208 /nfs/dbraw/zinc/69/82/08/972698208.db2.gz MMYXUUXDALAISA-NEPJUHHUSA-N 2 1 248.411 2.281 20 0 BEADMP Cc1cccc2c1CC[N@H+]([C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246550302 972704131 /nfs/dbraw/zinc/70/41/31/972704131.db2.gz VIXGTXCIWCJFAA-DZGCQCFKSA-N 2 1 244.382 2.494 20 0 BEADMP CSC(C)(C)C[C@@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246552611 972739708 /nfs/dbraw/zinc/73/97/08/972739708.db2.gz YOTUGUAPXNREHX-GMTAPVOTSA-N 2 1 230.421 2.328 20 0 BEADMP C[C@]1([NH3+])CCC[N@H+]([C@H]2CCCSC2)CC1 ZINC001246554028 972743980 /nfs/dbraw/zinc/74/39/80/972743980.db2.gz USEODRNRKORXQE-RYUDHWBXSA-N 2 1 228.405 2.085 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC001327839352 972756597 /nfs/dbraw/zinc/75/65/97/972756597.db2.gz GTPOHZZHHIWSLN-UWVGGRQHSA-N 2 1 241.766 2.241 20 0 BEADMP Cc1ccc(C[C@@H](C)[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001246558896 972782959 /nfs/dbraw/zinc/78/29/59/972782959.db2.gz AYWBZIDJIPBBGH-UMVBOHGHSA-N 2 1 232.371 2.205 20 0 BEADMP Cc1ccc(C[C@@H](C)[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001246558896 972782969 /nfs/dbraw/zinc/78/29/69/972782969.db2.gz AYWBZIDJIPBBGH-UMVBOHGHSA-N 2 1 232.371 2.205 20 0 BEADMP C[C@H]1C[N@H+](C2CCCC2)CCC[C@@H]1C[NH3+] ZINC001246559491 972788013 /nfs/dbraw/zinc/78/80/13/972788013.db2.gz ANIRXWNIHJRNEN-NWDGAFQWSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H](CC1CC1)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246566914 972818657 /nfs/dbraw/zinc/81/86/57/972818657.db2.gz JVMNQNOJMLNGTE-YRGRVCCFSA-N 2 1 224.392 2.482 20 0 BEADMP CCc1ccc(C[C@H](C)[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001246570071 972838905 /nfs/dbraw/zinc/83/89/05/972838905.db2.gz YUIDCHHBDNPPRM-DVOMOZLQSA-N 2 1 246.398 2.459 20 0 BEADMP CCc1ccc(C[C@H](C)[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001246570071 972838915 /nfs/dbraw/zinc/83/89/15/972838915.db2.gz YUIDCHHBDNPPRM-DVOMOZLQSA-N 2 1 246.398 2.459 20 0 BEADMP CC[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)C1 ZINC001246575123 972874258 /nfs/dbraw/zinc/87/42/58/972874258.db2.gz ZQUKMGZOXRBUPA-MROQNXINSA-N 2 1 228.355 2.326 20 0 BEADMP CC[C@@H]1CC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)C1 ZINC001246575123 972874266 /nfs/dbraw/zinc/87/42/66/972874266.db2.gz ZQUKMGZOXRBUPA-MROQNXINSA-N 2 1 228.355 2.326 20 0 BEADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001246577791 972896149 /nfs/dbraw/zinc/89/61/49/972896149.db2.gz PPYPWULJAVSTJH-XJFOESAGSA-N 2 1 222.376 2.236 20 0 BEADMP C[C@@H](CC(F)(F)F)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246596755 973010409 /nfs/dbraw/zinc/01/04/09/973010409.db2.gz VJLKEMZPRRWOHH-VHSXEESVSA-N 2 1 238.297 2.388 20 0 BEADMP C[C@H](CC(F)(F)F)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246596759 973013811 /nfs/dbraw/zinc/01/38/11/973013811.db2.gz VJLKEMZPRRWOHH-ZJUUUORDSA-N 2 1 238.297 2.388 20 0 BEADMP CC[C@@H](C)C[C@H](CC)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246616105 973035578 /nfs/dbraw/zinc/03/55/78/973035578.db2.gz YDNAESMJCWAJDZ-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP CSC(C)(C)C[C@@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246637846 973054071 /nfs/dbraw/zinc/05/40/71/973054071.db2.gz LFVDUOUSWVPBLZ-IJLUTSLNSA-N 2 1 242.432 2.343 20 0 BEADMP CSC(C)(C)C[C@@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246637846 973054088 /nfs/dbraw/zinc/05/40/88/973054088.db2.gz LFVDUOUSWVPBLZ-IJLUTSLNSA-N 2 1 242.432 2.343 20 0 BEADMP CSCC[C@H](C)[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246641371 973062778 /nfs/dbraw/zinc/06/27/78/973062778.db2.gz DUPVNDCIFAAVST-STQMWFEESA-N 2 1 242.432 2.346 20 0 BEADMP CSCC[C@H](C)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246641371 973062792 /nfs/dbraw/zinc/06/27/92/973062792.db2.gz DUPVNDCIFAAVST-STQMWFEESA-N 2 1 242.432 2.346 20 0 BEADMP CC(C)C1CCC([N@H+]2C[C@@H]3C[NH2+]CC[C@H]32)CC1 ZINC001246677670 973081769 /nfs/dbraw/zinc/08/17/69/973081769.db2.gz WWEBOSCGNKFHHB-OOJKYFRXSA-N 2 1 236.403 2.495 20 0 BEADMP COC(C)(C)[C@H]1CCC[N@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246811815 973109230 /nfs/dbraw/zinc/10/92/30/973109230.db2.gz XMXHUXTUYZPDAC-JHJVBQTASA-N 2 1 240.391 2.016 20 0 BEADMP CSC(C)(C)C[C@H](C)[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246854706 973171574 /nfs/dbraw/zinc/17/15/74/973171574.db2.gz QQWKUJGHLLWIBQ-GVXVVHGQSA-N 2 1 242.432 2.330 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)Cc2ccc(C)cc2)C1 ZINC001246863886 973190070 /nfs/dbraw/zinc/19/00/70/973190070.db2.gz LZQIQHZPHLTMDG-ZBFHGGJFSA-N 2 1 246.398 2.467 20 0 BEADMP Cc1ccc2cc[nH+]c(NC/C=C/C[NH3+])c2c1 ZINC001160976585 973191296 /nfs/dbraw/zinc/19/12/96/973191296.db2.gz ANSOMELEAQRABQ-NSCUHMNNSA-N 2 1 227.311 2.470 20 0 BEADMP C[C@@H]1CCC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)C1 ZINC001246867595 973238289 /nfs/dbraw/zinc/23/82/89/973238289.db2.gz PMPOMMLRPUTAOX-ZOBORPQBSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@H]1C[C@H]([NH+]2CC3CCC(CC3)C2)CC[NH2+]1 ZINC001246881029 973287625 /nfs/dbraw/zinc/28/76/25/973287625.db2.gz GKTOHDYJRUAMNW-GFJIZPEISA-N 2 1 222.376 2.249 20 0 BEADMP CC[NH+]1CCC([NH2+]Cc2cccn2C2CC2)CC1 ZINC001330811883 1169960373 /nfs/dbraw/zinc/96/03/73/1169960373.db2.gz VIQMDEHVQXJKBM-UHFFFAOYSA-N 2 1 247.386 2.397 20 0 BEADMP CCCC1CCC([N@@H+]2C[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246923384 973548152 /nfs/dbraw/zinc/54/81/52/973548152.db2.gz YHWVUKCEPLKIEB-YIOUJQMASA-N 2 1 222.376 2.249 20 0 BEADMP CCCC1CCC([N@H+]2C[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246923384 973548172 /nfs/dbraw/zinc/54/81/72/973548172.db2.gz YHWVUKCEPLKIEB-YIOUJQMASA-N 2 1 222.376 2.249 20 0 BEADMP COC[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000234728611 973728660 /nfs/dbraw/zinc/72/86/60/973728660.db2.gz DUJJNUBRVWQFDE-CQSZACIVSA-N 2 1 242.407 2.254 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329433398 973769742 /nfs/dbraw/zinc/76/97/42/973769742.db2.gz NAZQHWCFYMACHC-CHWSQXEVSA-N 2 1 222.376 2.108 20 0 BEADMP CC[NH+](CC)C[C@@H](C)OC[C@@H]1CCCC[N@H+]1C ZINC001224703953 973870573 /nfs/dbraw/zinc/87/05/73/973870573.db2.gz VYLOMZYUVHZGHO-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](CCCC(F)(F)F)CC[C@H]1F ZINC001206153641 974255159 /nfs/dbraw/zinc/25/51/59/974255159.db2.gz CXAMZBPKYKONHI-RKDXNWHRSA-N 2 1 242.260 2.090 20 0 BEADMP CC(C)(C)CC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156192 974339045 /nfs/dbraw/zinc/33/90/45/974339045.db2.gz OLHMMTCTTGJHCP-MNOVXSKESA-N 2 1 216.344 2.184 20 0 BEADMP CC(C)(C)CC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156192 974339055 /nfs/dbraw/zinc/33/90/55/974339055.db2.gz OLHMMTCTTGJHCP-MNOVXSKESA-N 2 1 216.344 2.184 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccnc1)C2 ZINC001172099211 974340512 /nfs/dbraw/zinc/34/05/12/974340512.db2.gz GODRFKZWHKAECZ-QDMKHBRRSA-N 2 1 245.370 2.187 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(C)CC1)C2 ZINC001172100980 974347711 /nfs/dbraw/zinc/34/77/11/974347711.db2.gz VOVYWTNGXPIIOB-XYYAHUGASA-N 2 1 222.376 2.391 20 0 BEADMP CSCC[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130765 974354917 /nfs/dbraw/zinc/35/49/17/974354917.db2.gz RMVSSMHWRSPKMH-ITGUQSILSA-N 2 1 242.432 2.297 20 0 BEADMP CSCC[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130765 974354924 /nfs/dbraw/zinc/35/49/24/974354924.db2.gz RMVSSMHWRSPKMH-ITGUQSILSA-N 2 1 242.432 2.297 20 0 BEADMP CSCC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172130765 974354933 /nfs/dbraw/zinc/35/49/33/974354933.db2.gz RMVSSMHWRSPKMH-ITGUQSILSA-N 2 1 242.432 2.297 20 0 BEADMP CSCC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172130765 974354949 /nfs/dbraw/zinc/35/49/49/974354949.db2.gz RMVSSMHWRSPKMH-ITGUQSILSA-N 2 1 242.432 2.297 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCn1cccc1)C2 ZINC001172104065 974366737 /nfs/dbraw/zinc/36/67/37/974366737.db2.gz ZIGGIQXGIPMNFZ-QKDCVEJESA-N 2 1 247.386 2.093 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCC1CC1)C2 ZINC001172107629 974367647 /nfs/dbraw/zinc/36/76/47/974367647.db2.gz IXMOPYXNGLDHOT-BTTYYORXSA-N 2 1 222.376 2.391 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC(C)(C)C1)C2 ZINC001172109156 974375445 /nfs/dbraw/zinc/37/54/45/974375445.db2.gz BUHCPGLHDBTZED-ITGUQSILSA-N 2 1 222.376 2.344 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC3(CCC3)C1)C2 ZINC001172121433 974387495 /nfs/dbraw/zinc/38/74/95/974387495.db2.gz QMYGBPWIAFJEHS-WDNDVIMCSA-N 2 1 234.387 2.488 20 0 BEADMP CCCC[N@H+](C)C1CC[NH+](CCCOC)CC1 ZINC001172249565 974514628 /nfs/dbraw/zinc/51/46/28/974514628.db2.gz JPNPNXFKCJAVPY-UHFFFAOYSA-N 2 1 242.407 2.219 20 0 BEADMP CCCC[N@@H+](C)C1CC[NH+](CCCOC)CC1 ZINC001172249565 974514635 /nfs/dbraw/zinc/51/46/35/974514635.db2.gz JPNPNXFKCJAVPY-UHFFFAOYSA-N 2 1 242.407 2.219 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001172367707 974648770 /nfs/dbraw/zinc/64/87/70/974648770.db2.gz LXQXEXNCOGRKQX-YIYPIFLZSA-N 2 1 224.392 2.352 20 0 BEADMP COCC1([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCC1 ZINC001331294194 974673866 /nfs/dbraw/zinc/67/38/66/974673866.db2.gz AENWICQYPBRQHS-GFCCVEGCSA-N 2 1 240.391 2.018 20 0 BEADMP CCOCC[C@@H](C)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001172411170 974675057 /nfs/dbraw/zinc/67/50/57/974675057.db2.gz LOCAFIHTNUFEKL-PNESKVBLSA-N 2 1 228.380 2.003 20 0 BEADMP CC[C@H](CC(C)C)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001172384476 974729324 /nfs/dbraw/zinc/72/93/24/974729324.db2.gz INZHPCCJMQYRDC-CHWSQXEVSA-N 2 1 212.381 2.352 20 0 BEADMP CC[C@H]([NH2+]C/C=C\C1CC1)[C@@H]1CCC[NH2+]1 ZINC001331836552 974832641 /nfs/dbraw/zinc/83/26/41/974832641.db2.gz XTCYRNVBMDOBAC-UARNIUSMSA-N 2 1 208.349 2.073 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccccc3)[C@@H]2C1 ZINC001204089096 974866035 /nfs/dbraw/zinc/86/60/35/974866035.db2.gz KSBIZZKVSZCIAG-RRFJBIMHSA-N 2 1 230.355 2.116 20 0 BEADMP CC[N@H+]1CC[C@@H](n2c(C[NH3+])cc3ccccc32)C1 ZINC001173349899 975293328 /nfs/dbraw/zinc/29/33/28/975293328.db2.gz KTBXBKHKIRAYHO-CYBMUJFWSA-N 2 1 243.354 2.367 20 0 BEADMP CCSC[C@@H](C)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001173315642 975305065 /nfs/dbraw/zinc/30/50/65/975305065.db2.gz RVUKSJUJEFUFDJ-JHJVBQTASA-N 2 1 242.432 2.012 20 0 BEADMP C[C@H](C1CC1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC001332991567 975360095 /nfs/dbraw/zinc/36/00/95/975360095.db2.gz QUGQJBCVFMVUPI-DGCLKSJQSA-N 2 1 210.365 2.201 20 0 BEADMP CC(C[NH+](C)CCCF)C[N@@H+](C)CCCF ZINC001333475170 975804040 /nfs/dbraw/zinc/80/40/40/975804040.db2.gz YDTZWSCLQAZWIY-UHFFFAOYSA-N 2 1 236.350 2.205 20 0 BEADMP Cc1cccc2[nH+]cc(Nc3cc[nH+]cc3)n21 ZINC001173882968 975948602 /nfs/dbraw/zinc/94/86/02/975948602.db2.gz YXKFWEBLVGIXFO-UHFFFAOYSA-N 2 1 224.267 2.203 20 0 BEADMP Cn1c[nH+]c2cccc(Nc3cc[nH+]cc3)c21 ZINC001173884255 975969317 /nfs/dbraw/zinc/96/93/17/975969317.db2.gz FGHDYRGECBXVAT-UHFFFAOYSA-N 2 1 224.267 2.134 20 0 BEADMP C[C@@H](CC[NH2+]Cc1cccn1C1CC1)[NH+](C)C ZINC001333720287 976028415 /nfs/dbraw/zinc/02/84/15/976028415.db2.gz VSEZITYZEYUSSX-LBPRGKRZSA-N 2 1 235.375 2.253 20 0 BEADMP C[NH2+][C@H](C)CCN[C@@H](CCC[NH3+])c1ccccc1 ZINC001334389961 976487580 /nfs/dbraw/zinc/48/75/80/976487580.db2.gz KQKVXBOURRWFEG-HIFRSBDPSA-N 2 1 249.402 2.054 20 0 BEADMP CN(c1ccc2[nH+]ccn2c1)c1cc(N)cc[nH+]1 ZINC001174276599 976508987 /nfs/dbraw/zinc/50/89/87/976508987.db2.gz JKNXNZMQUJFXSL-UHFFFAOYSA-N 2 1 239.282 2.079 20 0 BEADMP Cc1c[nH+]ccc1Nc1c[nH+]c2ccccn12 ZINC001174536613 976815477 /nfs/dbraw/zinc/81/54/77/976815477.db2.gz HCWZCNJYUOLFAO-UHFFFAOYSA-N 2 1 224.267 2.203 20 0 BEADMP Cc1cc(Nc2c[nH+]c3ccccn23)cc[nH+]1 ZINC001174653613 976940758 /nfs/dbraw/zinc/94/07/58/976940758.db2.gz HUVDKFOFSOAQGM-UHFFFAOYSA-N 2 1 224.267 2.203 20 0 BEADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C3CC3)C[C@H]21 ZINC001175069533 977221657 /nfs/dbraw/zinc/22/16/57/977221657.db2.gz DKRIEJAGXZVEGD-WDNDVIMCSA-N 2 1 236.403 2.305 20 0 BEADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C3CC3)C[C@H]21 ZINC001175069533 977221661 /nfs/dbraw/zinc/22/16/61/977221661.db2.gz DKRIEJAGXZVEGD-WDNDVIMCSA-N 2 1 236.403 2.305 20 0 BEADMP C[N@H+]1CCC[C@@H]2CN(c3cc[nH+]cc3)CC[C@@H]21 ZINC001336391779 977655535 /nfs/dbraw/zinc/65/55/35/977655535.db2.gz NFGAWVRZIADVHU-OCCSQVGLSA-N 2 1 231.343 2.002 20 0 BEADMP Cc1c[nH+]c(Nc2ccc(C[NH3+])cc2)c(N)c1 ZINC001175966747 977835885 /nfs/dbraw/zinc/83/58/85/977835885.db2.gz QXKATIINSDCRKK-UHFFFAOYSA-N 2 1 228.299 2.175 20 0 BEADMP COC[C@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232010785 977839227 /nfs/dbraw/zinc/83/92/27/977839227.db2.gz AOQISHDFUCFCEV-NSHDSACASA-N 2 1 245.326 2.031 20 0 BEADMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)CC1(C)COC1 ZINC001232014895 977840487 /nfs/dbraw/zinc/84/04/87/977840487.db2.gz WRTWSGBVUPYHOB-UHFFFAOYSA-N 2 1 245.326 2.031 20 0 BEADMP Cc1cccc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)[nH+]1 ZINC001336869665 978009942 /nfs/dbraw/zinc/00/99/42/978009942.db2.gz BPQWORWERXKSLL-RWMBFGLXSA-N 2 1 231.343 2.142 20 0 BEADMP Cc1cccc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)[nH+]1 ZINC001336869665 978009950 /nfs/dbraw/zinc/00/99/50/978009950.db2.gz BPQWORWERXKSLL-RWMBFGLXSA-N 2 1 231.343 2.142 20 0 BEADMP Cc1cccnc1N1CCC2(CC[N@H+](C)C2)CC1 ZINC001277707318 978258205 /nfs/dbraw/zinc/25/82/05/978258205.db2.gz AGXRWOVEDJHJEW-UHFFFAOYSA-N 2 1 245.370 2.312 20 0 BEADMP C[C@@]1(C[NH3+])CCC[N@@H+](C[C@H]2CCC=CO2)CC1 ZINC001206293282 978294054 /nfs/dbraw/zinc/29/40/54/978294054.db2.gz GYCVALYSUFTMPZ-ZIAGYGMSSA-N 2 1 238.375 2.130 20 0 BEADMP Cc1cc(F)cc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)n1 ZINC001337431702 978334337 /nfs/dbraw/zinc/33/43/37/978334337.db2.gz LURLWJIBIUMBAM-RAIGVLPGSA-N 2 1 249.333 2.281 20 0 BEADMP C[N@@H+]1CCC[C@H](Oc2ccc3[nH+]ccn3c2)CC1 ZINC001233748383 978686089 /nfs/dbraw/zinc/68/60/89/978686089.db2.gz IONBSWMYNXFACQ-LBPRGKRZSA-N 2 1 245.326 2.197 20 0 BEADMP C[N@H+]1CCC[C@H](Oc2ccc3[nH+]ccn3c2)CC1 ZINC001233748383 978686097 /nfs/dbraw/zinc/68/60/97/978686097.db2.gz IONBSWMYNXFACQ-LBPRGKRZSA-N 2 1 245.326 2.197 20 0 BEADMP CC1=C[C@@H](C)[C@@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC001235005054 978948373 /nfs/dbraw/zinc/94/83/73/978948373.db2.gz VWBYIUXOKAPWBI-KBXIAJHMSA-N 2 1 234.387 2.415 20 0 BEADMP CC1=C[C@@H](C)[C@@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC001235005054 978948377 /nfs/dbraw/zinc/94/83/77/978948377.db2.gz VWBYIUXOKAPWBI-KBXIAJHMSA-N 2 1 234.387 2.415 20 0 BEADMP CC1(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CCCCC1 ZINC001235039643 978949888 /nfs/dbraw/zinc/94/98/88/978949888.db2.gz WZURKGSSWQGUKU-QWHCGFSZSA-N 2 1 222.376 2.393 20 0 BEADMP CC1(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CCCCC1 ZINC001235039643 978949897 /nfs/dbraw/zinc/94/98/97/978949897.db2.gz WZURKGSSWQGUKU-QWHCGFSZSA-N 2 1 222.376 2.393 20 0 BEADMP CC/C=C\CCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016794 978953082 /nfs/dbraw/zinc/95/30/82/978953082.db2.gz IJWKTCJCBOUHRU-KBIGUFJUSA-N 2 1 222.376 2.417 20 0 BEADMP CC/C=C\CCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016794 978953089 /nfs/dbraw/zinc/95/30/89/978953089.db2.gz IJWKTCJCBOUHRU-KBIGUFJUSA-N 2 1 222.376 2.417 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCC3(C[NH2+]C3)C2)CC1 ZINC001235024000 978955057 /nfs/dbraw/zinc/95/50/57/978955057.db2.gz JGHYLWARNPBBDX-UONOGXRCSA-N 2 1 234.387 2.274 20 0 BEADMP CCCC[C@@H](CC)C[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235026262 978956087 /nfs/dbraw/zinc/95/60/87/978956087.db2.gz LWMWPXYUCUXCLQ-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP [NH3+][C@@]12C[C@@H]1CC[N@H+](CCCc1ccccc1)C2 ZINC001235165603 978985946 /nfs/dbraw/zinc/98/59/46/978985946.db2.gz KPIVYXXEHAHUJQ-LSDHHAIUSA-N 2 1 230.355 2.042 20 0 BEADMP [NH3+][C@@]12C[C@@H]1CC[N@@H+](CCCc1ccccc1)C2 ZINC001235165603 978985953 /nfs/dbraw/zinc/98/59/53/978985953.db2.gz KPIVYXXEHAHUJQ-LSDHHAIUSA-N 2 1 230.355 2.042 20 0 BEADMP CCCC[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235172290 978990692 /nfs/dbraw/zinc/99/06/92/978990692.db2.gz LEHGQRBFQRMRSP-CYBMUJFWSA-N 2 1 210.365 2.395 20 0 BEADMP CC1=C[C@@H](C)[C@H](C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]32)CC1 ZINC001235212287 978998763 /nfs/dbraw/zinc/99/87/63/978998763.db2.gz CJSXUKUESKONGD-LXTVHRRPSA-N 2 1 234.387 2.273 20 0 BEADMP CC1=C[C@@H](C)[C@H](C[N@H+]2C[C@H]3CC[NH2+]C[C@H]32)CC1 ZINC001235212287 978998768 /nfs/dbraw/zinc/99/87/68/978998768.db2.gz CJSXUKUESKONGD-LXTVHRRPSA-N 2 1 234.387 2.273 20 0 BEADMP c1coc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)n1 ZINC001235226612 979000997 /nfs/dbraw/zinc/00/09/97/979000997.db2.gz CWVURLOIDIXSDO-ZDUSSCGKSA-N 2 1 249.358 2.029 20 0 BEADMP CC1=C[C@@H](C)[C@@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC001235236240 979002637 /nfs/dbraw/zinc/00/26/37/979002637.db2.gz VWBYIUXOKAPWBI-TUVASFSCSA-N 2 1 234.387 2.415 20 0 BEADMP CC1=C[C@@H](C)[C@@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC001235236240 979002640 /nfs/dbraw/zinc/00/26/40/979002640.db2.gz VWBYIUXOKAPWBI-TUVASFSCSA-N 2 1 234.387 2.415 20 0 BEADMP CC1=C[C@@H](C)[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC001235236238 979003330 /nfs/dbraw/zinc/00/33/30/979003330.db2.gz VWBYIUXOKAPWBI-BARDWOONSA-N 2 1 234.387 2.415 20 0 BEADMP CC1=C[C@@H](C)[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC001235236238 979003335 /nfs/dbraw/zinc/00/33/35/979003335.db2.gz VWBYIUXOKAPWBI-BARDWOONSA-N 2 1 234.387 2.415 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC001235236242 979004093 /nfs/dbraw/zinc/00/40/93/979004093.db2.gz VWBYIUXOKAPWBI-XQLPTFJDSA-N 2 1 234.387 2.415 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC001235236242 979004097 /nfs/dbraw/zinc/00/40/97/979004097.db2.gz VWBYIUXOKAPWBI-XQLPTFJDSA-N 2 1 234.387 2.415 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)cc1C ZINC001235255982 979011693 /nfs/dbraw/zinc/01/16/93/979011693.db2.gz DXJRUWSRRVHUFF-HOTGVXAUSA-N 2 1 244.382 2.406 20 0 BEADMP Cc1cc(C)c(C[N@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)cc1C ZINC001235255982 979011697 /nfs/dbraw/zinc/01/16/97/979011697.db2.gz DXJRUWSRRVHUFF-HOTGVXAUSA-N 2 1 244.382 2.406 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]32)c(C)c1 ZINC001235261767 979012767 /nfs/dbraw/zinc/01/27/67/979012767.db2.gz PULLAPQYSGVTHP-ZBFHGGJFSA-N 2 1 244.382 2.406 20 0 BEADMP Cc1cc(C)c(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]32)c(C)c1 ZINC001235261767 979012772 /nfs/dbraw/zinc/01/27/72/979012772.db2.gz PULLAPQYSGVTHP-ZBFHGGJFSA-N 2 1 244.382 2.406 20 0 BEADMP CCc1cccc(C)c1C[N@@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235264045 979014430 /nfs/dbraw/zinc/01/44/30/979014430.db2.gz VVTXWDYRMHLAPU-GDBMZVCRSA-N 2 1 244.382 2.351 20 0 BEADMP CCc1cccc(C)c1C[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235264045 979014436 /nfs/dbraw/zinc/01/44/36/979014436.db2.gz VVTXWDYRMHLAPU-GDBMZVCRSA-N 2 1 244.382 2.351 20 0 BEADMP [NH3+][C@H]1[C@H]2C[N@H+](CCCC3CCCCC3)C[C@@H]12 ZINC001235283450 979016793 /nfs/dbraw/zinc/01/67/93/979016793.db2.gz OTBBWLWHFCUHBY-BTTYYORXSA-N 2 1 222.376 2.236 20 0 BEADMP CC(C)(C)c1cccc(C[N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)c1 ZINC001235284604 979018406 /nfs/dbraw/zinc/01/84/06/979018406.db2.gz NXGLQPKBJUXSKA-QDMKHBRRSA-N 2 1 244.382 2.373 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235409756 979037147 /nfs/dbraw/zinc/03/71/47/979037147.db2.gz WUTILDPETAWHJQ-MELADBBJSA-N 2 1 242.382 2.446 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235409753 979038761 /nfs/dbraw/zinc/03/87/61/979038761.db2.gz WUTILDPETAWHJQ-IHRRRGAJSA-N 2 1 242.382 2.446 20 0 BEADMP CCC[C@@H]1CCCC[N@H+]1C[C@@H]1CNC(C)(C)O1 ZINC001235694940 979125556 /nfs/dbraw/zinc/12/55/56/979125556.db2.gz XLDHRJDPVVDNHE-OLZOCXBDSA-N 2 1 240.391 2.366 20 0 BEADMP CCC[C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235694940 979125560 /nfs/dbraw/zinc/12/55/60/979125560.db2.gz XLDHRJDPVVDNHE-OLZOCXBDSA-N 2 1 240.391 2.366 20 0 BEADMP CCC[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235694940 979125565 /nfs/dbraw/zinc/12/55/65/979125565.db2.gz XLDHRJDPVVDNHE-OLZOCXBDSA-N 2 1 240.391 2.366 20 0 BEADMP C[C@H]1CCC[N@@H+](CC[C@H]2COC(C)(C)N2)[C@H]1C ZINC001235694713 979125820 /nfs/dbraw/zinc/12/58/20/979125820.db2.gz ITAFKYVRPPQQCB-AVGNSLFASA-N 2 1 240.391 2.221 20 0 BEADMP C[C@H]1CCC[N@H+](CC[C@H]2COC(C)(C)[NH2+]2)[C@H]1C ZINC001235694713 979125827 /nfs/dbraw/zinc/12/58/27/979125827.db2.gz ITAFKYVRPPQQCB-AVGNSLFASA-N 2 1 240.391 2.221 20 0 BEADMP C[C@H]1CCC[N@@H+](CC[C@H]2COC(C)(C)[NH2+]2)[C@H]1C ZINC001235694713 979125829 /nfs/dbraw/zinc/12/58/29/979125829.db2.gz ITAFKYVRPPQQCB-AVGNSLFASA-N 2 1 240.391 2.221 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CCCC3(C[NH2+]C3)C2)c1 ZINC001235710707 979128664 /nfs/dbraw/zinc/12/86/64/979128664.db2.gz DRFYGSOPYVUTHP-UHFFFAOYSA-N 2 1 244.382 2.489 20 0 BEADMP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCC(C)=C[C@H]2C)C1 ZINC001235829276 979152987 /nfs/dbraw/zinc/15/29/87/979152987.db2.gz POXMSQAFALKAFC-HZSPNIEDSA-N 2 1 222.376 2.273 20 0 BEADMP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCC(C)=C[C@H]2C)C1 ZINC001235829276 979152991 /nfs/dbraw/zinc/15/29/91/979152991.db2.gz POXMSQAFALKAFC-HZSPNIEDSA-N 2 1 222.376 2.273 20 0 BEADMP [NH3+]CCCC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001235949272 979216640 /nfs/dbraw/zinc/21/66/40/979216640.db2.gz BTICWVVQVUAXAH-CYBMUJFWSA-N 2 1 236.334 2.354 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1 ZINC001235959331 979226740 /nfs/dbraw/zinc/22/67/40/979226740.db2.gz NSZVKMZAWSPYAV-MIFYACCESA-N 2 1 244.382 2.473 20 0 BEADMP [NH3+][C@@]12CC[C@H]1C[N@H+](CCCc1ccccc1)C2 ZINC001235977517 979243204 /nfs/dbraw/zinc/24/32/04/979243204.db2.gz HCBKIKWXSQQWNU-LSDHHAIUSA-N 2 1 230.355 2.042 20 0 BEADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC001235977517 979243215 /nfs/dbraw/zinc/24/32/15/979243215.db2.gz HCBKIKWXSQQWNU-LSDHHAIUSA-N 2 1 230.355 2.042 20 0 BEADMP [NH3+][C@]12CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC001235977514 979245414 /nfs/dbraw/zinc/24/54/14/979245414.db2.gz HCBKIKWXSQQWNU-CABCVRRESA-N 2 1 230.355 2.042 20 0 BEADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC001235977514 979245427 /nfs/dbraw/zinc/24/54/27/979245427.db2.gz HCBKIKWXSQQWNU-CABCVRRESA-N 2 1 230.355 2.042 20 0 BEADMP [NH3+][C@]12CC[C@H]1C[N@@H+](CCCCc1ccccc1)C2 ZINC001235978872 979251202 /nfs/dbraw/zinc/25/12/02/979251202.db2.gz LBYLDNWZBSVJEP-HOTGVXAUSA-N 2 1 244.382 2.432 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235980374 979251404 /nfs/dbraw/zinc/25/14/04/979251404.db2.gz MPUQEIOXTLYYEV-GJZGRUSLSA-N 2 1 230.355 2.227 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235980374 979251421 /nfs/dbraw/zinc/25/14/21/979251421.db2.gz MPUQEIOXTLYYEV-GJZGRUSLSA-N 2 1 230.355 2.227 20 0 BEADMP CC1(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CCCCC1 ZINC001235981991 979259255 /nfs/dbraw/zinc/25/92/55/979259255.db2.gz ZUAJVVIGKRLKEA-GXTWGEPZSA-N 2 1 222.376 2.380 20 0 BEADMP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1c[nH]c3ccccc13)C2 ZINC001235982156 979262730 /nfs/dbraw/zinc/26/27/30/979262730.db2.gz UFWKGIFYLQLMKO-DOMZBBRYSA-N 2 1 241.338 2.091 20 0 BEADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1c[nH]c3ccccc13)C2 ZINC001235982156 979262737 /nfs/dbraw/zinc/26/27/37/979262737.db2.gz UFWKGIFYLQLMKO-DOMZBBRYSA-N 2 1 241.338 2.091 20 0 BEADMP CC(C)=CCC[C@@H](C)C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001236165935 979419049 /nfs/dbraw/zinc/41/90/49/979419049.db2.gz BRKYEWJMJASKIH-OLZOCXBDSA-N 2 1 210.365 2.402 20 0 BEADMP CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@H]([NH3+])C1 ZINC001236165935 979419060 /nfs/dbraw/zinc/41/90/60/979419060.db2.gz BRKYEWJMJASKIH-OLZOCXBDSA-N 2 1 210.365 2.402 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236314000 979525377 /nfs/dbraw/zinc/52/53/77/979525377.db2.gz DVWCSNMXLYPFFA-IYBDPMFKSA-N 2 1 244.382 2.426 20 0 BEADMP CS[C@@H](C)CC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315219 979525603 /nfs/dbraw/zinc/52/56/03/979525603.db2.gz WHQWNLQJKNWGMC-RWMBFGLXSA-N 2 1 242.432 2.059 20 0 BEADMP CCCC[C@H](CC)C[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412465 979587792 /nfs/dbraw/zinc/58/77/92/979587792.db2.gz VEVXZWGZCWMPAK-IGQOVBAYSA-N 2 1 224.392 2.352 20 0 BEADMP Cc1cc(C)c(C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)c1 ZINC001236413042 979588065 /nfs/dbraw/zinc/58/80/65/979588065.db2.gz NFJVUURAZZLORW-FOLVSLTJSA-N 2 1 244.382 2.261 20 0 BEADMP Cc1cc(C)c(C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)c1 ZINC001236413042 979588071 /nfs/dbraw/zinc/58/80/71/979588071.db2.gz NFJVUURAZZLORW-FOLVSLTJSA-N 2 1 244.382 2.261 20 0 BEADMP C[C@H]([NH3+])C[N@H+](Cc1ccccc1)C1CCC1 ZINC001236440782 979599354 /nfs/dbraw/zinc/59/93/54/979599354.db2.gz HAACFFAXPGSQPZ-LBPRGKRZSA-N 2 1 218.344 2.388 20 0 BEADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccoc2)C1 ZINC001206542367 979669990 /nfs/dbraw/zinc/66/99/90/979669990.db2.gz ZGURPBUNRHEMEB-ZDUSSCGKSA-N 2 1 222.332 2.231 20 0 BEADMP C[C@@]1([NH3+])CCC[N@@H+](CCC2CCOCC2)CC1 ZINC001205255776 979739088 /nfs/dbraw/zinc/73/90/88/979739088.db2.gz KSLJUGISNUCJAO-CQSZACIVSA-N 2 1 240.391 2.006 20 0 BEADMP CC/C=C\CC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237383829 979882890 /nfs/dbraw/zinc/88/28/90/979882890.db2.gz RXDIWUPAWYNBBQ-NMEQGOOXSA-N 2 1 222.376 2.417 20 0 BEADMP CC/C=C\CC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237383829 979882893 /nfs/dbraw/zinc/88/28/93/979882893.db2.gz RXDIWUPAWYNBBQ-NMEQGOOXSA-N 2 1 222.376 2.417 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001345104696 980550206 /nfs/dbraw/zinc/55/02/06/980550206.db2.gz NGFKINKJKMANLE-CQSZACIVSA-N 2 1 218.344 2.002 20 0 BEADMP [NH3+]C[C@]1(F)CCC[N@@H+](C[C@@H]2CC=CCC2)CC1 ZINC001205539440 980915578 /nfs/dbraw/zinc/91/55/78/980915578.db2.gz ZDTLOSJQXFDSNE-KGLIPLIRSA-N 2 1 240.366 2.496 20 0 BEADMP COC(C)(C)CC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205599921 981152185 /nfs/dbraw/zinc/15/21/85/981152185.db2.gz AMWWIRHSVGSAMJ-QWHCGFSZSA-N 2 1 242.407 2.108 20 0 BEADMP C[N@H+]1CCc2ccc(C=C3CC[NH2+]CC3)cc2C1 ZINC001240879272 981936232 /nfs/dbraw/zinc/93/62/32/981936232.db2.gz NKCXVURYFZVQJG-UHFFFAOYSA-N 2 1 242.366 2.441 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cs1 ZINC001350910554 982119502 /nfs/dbraw/zinc/11/95/02/982119502.db2.gz QKGUXDIZVFRXJM-GXFFZTMASA-N 2 1 238.400 2.473 20 0 BEADMP C[N@@H+]1CC=C(c2ccc([C@@H]3CC[NH2+]C3)cc2)CC1 ZINC001241333404 982500516 /nfs/dbraw/zinc/50/05/16/982500516.db2.gz VESHRZQOPMYQHR-MRXNPFEDSA-N 2 1 242.366 2.482 20 0 BEADMP C[NH+](C)Cc1ccccc1C1=CCC[N@@H+](C)C1 ZINC001241568098 982814345 /nfs/dbraw/zinc/81/43/45/982814345.db2.gz ANVVQTDMNWDYFI-UHFFFAOYSA-N 2 1 230.355 2.467 20 0 BEADMP C[N@H+]1CCC=C(c2ccc3c[nH+]cn3c2)C1 ZINC001241569727 982815266 /nfs/dbraw/zinc/81/52/66/982815266.db2.gz NNXATRLSRMFVFS-UHFFFAOYSA-N 2 1 213.284 2.053 20 0 BEADMP C[N@H+]1CCC=C(c2ccc3c(c2)[C@H]([NH3+])CC3)C1 ZINC001241572510 982827174 /nfs/dbraw/zinc/82/71/74/982827174.db2.gz ZKUCSLLAIKPJHC-OAHLLOKOSA-N 2 1 228.339 2.352 20 0 BEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)C1CC1 ZINC001199420507 982923699 /nfs/dbraw/zinc/92/36/99/982923699.db2.gz NGKAROALTBFLLJ-AYRXBEOTSA-N 2 1 236.403 2.495 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CC=CCC3)C[C@@H]2C1 ZINC001201412125 983215213 /nfs/dbraw/zinc/21/52/13/983215213.db2.gz UKBOQADTSIDRNP-ZNMIVQPWSA-N 2 1 234.387 2.226 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CC=CCC3)C[C@@H]2C1 ZINC001201412125 983215232 /nfs/dbraw/zinc/21/52/32/983215232.db2.gz UKBOQADTSIDRNP-ZNMIVQPWSA-N 2 1 234.387 2.226 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CC=CCC3)C[C@@H]2C1 ZINC001201412125 983215242 /nfs/dbraw/zinc/21/52/42/983215242.db2.gz UKBOQADTSIDRNP-ZNMIVQPWSA-N 2 1 234.387 2.226 20 0 BEADMP c1cn2c(n1)CC[N@@H+](C[C@H]1CC=CCC1)CC2 ZINC001201423946 983223408 /nfs/dbraw/zinc/22/34/08/983223408.db2.gz YEYDDTZUSBMVEQ-ZDUSSCGKSA-N 2 1 231.343 2.098 20 0 BEADMP c1cn2c([nH+]1)CC[N@H+](C[C@H]1CC=CCC1)CC2 ZINC001201423946 983223416 /nfs/dbraw/zinc/22/34/16/983223416.db2.gz YEYDDTZUSBMVEQ-ZDUSSCGKSA-N 2 1 231.343 2.098 20 0 BEADMP c1cn2c([nH+]1)CC[N@@H+](C[C@H]1CC=CCC1)CC2 ZINC001201423946 983223424 /nfs/dbraw/zinc/22/34/24/983223424.db2.gz YEYDDTZUSBMVEQ-ZDUSSCGKSA-N 2 1 231.343 2.098 20 0 BEADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C[C@H]1CC=CCC1)C2 ZINC001201426304 983224120 /nfs/dbraw/zinc/22/41/20/983224120.db2.gz CUQSANQMDYCELT-RRFJBIMHSA-N 2 1 234.387 2.226 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1C ZINC000082836859 983384731 /nfs/dbraw/zinc/38/47/31/983384731.db2.gz LXQXEXNCOGRKQX-RFGFWPKPSA-N 2 1 224.392 2.352 20 0 BEADMP CCCCC[N@@H+](CC)CCC[NH+](C)C ZINC001201737109 983437874 /nfs/dbraw/zinc/43/78/74/983437874.db2.gz BAFKACWBXFCXQI-UHFFFAOYSA-N 2 1 200.370 2.450 20 0 BEADMP C[N@@H+](CC1CCC1)CC1CC[NH+](C)CC1 ZINC001202739571 984209261 /nfs/dbraw/zinc/20/92/61/984209261.db2.gz IFHVFUMYDNBYTH-UHFFFAOYSA-N 2 1 210.365 2.060 20 0 BEADMP CC[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](CC)CO1 ZINC000717960448 984369073 /nfs/dbraw/zinc/36/90/73/984369073.db2.gz AHIXBZJDBPBPAA-RFGFWPKPSA-N 2 1 240.391 2.003 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@@H]1C[C@H]1c1cccc(F)c1)C1CC1 ZINC001580228456 984435206 /nfs/dbraw/zinc/43/52/06/984435206.db2.gz BPKLEZBUKFHRDB-MJBXVCDLSA-N 2 1 234.318 2.009 20 0 BEADMP CCC[C@H](C)C[NH+]1CC2(C1)CC[N@H+](C)C2 ZINC001275074685 984466442 /nfs/dbraw/zinc/46/64/42/984466442.db2.gz VECDKGATLMHPKE-LBPRGKRZSA-N 2 1 210.365 2.060 20 0 BEADMP CCC[C@H](C)C[NH+]1CC2(C1)CC[N@@H+](C)C2 ZINC001275074685 984466469 /nfs/dbraw/zinc/46/64/69/984466469.db2.gz VECDKGATLMHPKE-LBPRGKRZSA-N 2 1 210.365 2.060 20 0 BEADMP CCC[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001275103944 984489401 /nfs/dbraw/zinc/48/94/01/984489401.db2.gz VJILRFGCBRCEEB-UHFFFAOYSA-N 2 1 210.365 2.204 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001276032783 984789822 /nfs/dbraw/zinc/78/98/22/984789822.db2.gz LNLFTYNRKVMFDL-KFWWJZLASA-N 2 1 236.403 2.450 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001276032783 984789846 /nfs/dbraw/zinc/78/98/46/984789846.db2.gz LNLFTYNRKVMFDL-KFWWJZLASA-N 2 1 236.403 2.450 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001276032783 984789882 /nfs/dbraw/zinc/78/98/82/984789882.db2.gz LNLFTYNRKVMFDL-KFWWJZLASA-N 2 1 236.403 2.450 20 0 BEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C)[nH]1 ZINC001276071927 984811221 /nfs/dbraw/zinc/81/12/21/984811221.db2.gz KBXHAYDILRUNRO-AGUYFDCRSA-N 2 1 233.359 2.038 20 0 BEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C)[nH]1 ZINC001276071927 984811224 /nfs/dbraw/zinc/81/12/24/984811224.db2.gz KBXHAYDILRUNRO-AGUYFDCRSA-N 2 1 233.359 2.038 20 0 BEADMP CCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001257326528 984895118 /nfs/dbraw/zinc/89/51/18/984895118.db2.gz BITQQQYMGOOJSK-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP CCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001257326528 984895119 /nfs/dbraw/zinc/89/51/19/984895119.db2.gz BITQQQYMGOOJSK-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP CCC[C@H](C)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001257326528 984895120 /nfs/dbraw/zinc/89/51/20/984895120.db2.gz BITQQQYMGOOJSK-RWMBFGLXSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)[NH2+][C@@H]1CCC[N@H+](CC2CC(C)C2)C1 ZINC000691974514 985079445 /nfs/dbraw/zinc/07/94/45/985079445.db2.gz HTNIOGKLYONERY-JXQTWKCFSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](CC2CC(C)C2)C1 ZINC000691974514 985079458 /nfs/dbraw/zinc/07/94/58/985079458.db2.gz HTNIOGKLYONERY-JXQTWKCFSA-N 2 1 224.392 2.495 20 0 BEADMP C[N@@H+](CCC[NH3+])[C@H]1CCC[C@@H]1C(C)(C)C ZINC001578466475 985097374 /nfs/dbraw/zinc/09/73/74/985097374.db2.gz OERWNFQHXZDKSS-RYUDHWBXSA-N 2 1 212.381 2.482 20 0 BEADMP CC(C)[C@@H](C)[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000686973740 985234229 /nfs/dbraw/zinc/23/42/29/985234229.db2.gz LACMWLWZHGOIHM-NEPJUHHUSA-N 2 1 212.381 2.399 20 0 BEADMP CO[C@H](C)C[N@@H+](CCCCCC[NH3+])C(C)C ZINC000688042005 985510874 /nfs/dbraw/zinc/51/08/74/985510874.db2.gz TXLIEXUJDCHBDM-CYBMUJFWSA-N 2 1 230.396 2.251 20 0 BEADMP CC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CC1 ZINC000688040131 985512495 /nfs/dbraw/zinc/51/24/95/985512495.db2.gz WYPWSMJUSMUQRQ-UHFFFAOYSA-N 2 1 236.384 2.378 20 0 BEADMP COC1(C[NH2+][C@H](C[NH3+])CC(C)C)CCCCC1 ZINC001578930820 985538294 /nfs/dbraw/zinc/53/82/94/985538294.db2.gz YTBBNAPRCZREKJ-ZDUSSCGKSA-N 2 1 242.407 2.299 20 0 BEADMP Cc1cc(N(C)C)[nH+]cc1/C=C/C1CC[NH2+]CC1 ZINC001243891926 985555727 /nfs/dbraw/zinc/55/57/27/985555727.db2.gz FGVRJGIRQSZAIJ-SNAWJCMRSA-N 2 1 245.370 2.469 20 0 BEADMP Nc1[nH]c2cc(C=CC3CC[NH2+]CC3)ccc2[nH+]1 ZINC001243896849 985582678 /nfs/dbraw/zinc/58/26/78/985582678.db2.gz QLBWHFAJLUVMGT-OWOJBTEDSA-N 2 1 242.326 2.158 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC000688370551 985625622 /nfs/dbraw/zinc/62/56/22/985625622.db2.gz HNHYNMRSJHDYLZ-CYBMUJFWSA-N 2 1 210.365 2.237 20 0 BEADMP c1cc(C2=C[NH2+]CCC2)ncc1[C@@H]1CCC[NH2+]1 ZINC001243947953 985631754 /nfs/dbraw/zinc/63/17/54/985631754.db2.gz RZAOGFJFWLBLMF-ZDUSSCGKSA-N 2 1 229.327 2.230 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000688729473 985714378 /nfs/dbraw/zinc/71/43/78/985714378.db2.gz IOSJGNHGRVMGSV-GRYCIOLGSA-N 2 1 246.345 2.209 20 0 BEADMP CC[C@@H](CC(F)F)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000688725589 985716702 /nfs/dbraw/zinc/71/67/02/985716702.db2.gz IQKBEMHRDDXRCG-QWRGUYRKSA-N 2 1 234.334 2.339 20 0 BEADMP CSC1(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)CCC1 ZINC001579364905 985860893 /nfs/dbraw/zinc/86/08/93/985860893.db2.gz FOYLHZOBKRYPLE-NEPJUHHUSA-N 2 1 242.432 2.189 20 0 BEADMP CC[NH+]1CCC(C[N@@H+](C)C(C)(C)COC)CC1 ZINC001462301321 986343409 /nfs/dbraw/zinc/34/34/09/986343409.db2.gz ZMFOCKNUMRPFBA-UHFFFAOYSA-N 2 1 242.407 2.075 20 0 BEADMP C[NH+]1CCC(C[N@H+]2C[C@H]3CCCC[C@H]32)CC1 ZINC001462406946 986377659 /nfs/dbraw/zinc/37/76/59/986377659.db2.gz DJQCMSWEQSYFJX-ZIAGYGMSSA-N 2 1 222.376 2.203 20 0 BEADMP Cn1cccc1[C@H]1CCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001579975213 986381324 /nfs/dbraw/zinc/38/13/24/986381324.db2.gz WFXSLDSBTTVIQL-GZBFAFLISA-N 2 1 247.386 2.289 20 0 BEADMP CC[C@@H]1C[N@@H+](CCCCCC[NH3+])C[C@@H](C)O1 ZINC000689190731 986384763 /nfs/dbraw/zinc/38/47/63/986384763.db2.gz MUTHBKLIEHYMGQ-CHWSQXEVSA-N 2 1 228.380 2.005 20 0 BEADMP C[C@@]1(C[N@H+]2CCC[C@H](CCF)C2)CCC[NH2+]C1 ZINC000689421679 986579150 /nfs/dbraw/zinc/57/91/50/986579150.db2.gz MGZCUYDGDYBFFS-ZIAGYGMSSA-N 2 1 242.382 2.448 20 0 BEADMP [NH3+][C@@H](C[NH2+]CC1CCCC1)CC(F)(F)F ZINC001580132922 986602558 /nfs/dbraw/zinc/60/25/58/986602558.db2.gz RTNBKRBQLMKUFJ-SECBINFHSA-N 2 1 224.270 2.046 20 0 BEADMP FCC[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000689443492 986608260 /nfs/dbraw/zinc/60/82/60/986608260.db2.gz AVGCHCGNLPASQN-UONOGXRCSA-N 2 1 242.382 2.448 20 0 BEADMP CCCC[C@@H](CC)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC000378661744 986610729 /nfs/dbraw/zinc/61/07/29/986610729.db2.gz BYGVETDBNLGBOU-YNEHKIRRSA-N 2 1 210.365 2.249 20 0 BEADMP CO[C@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254514863 986659934 /nfs/dbraw/zinc/65/99/34/986659934.db2.gz OWKCIVFUIUJUFF-MJBXVCDLSA-N 2 1 240.391 2.018 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC001254525088 986662294 /nfs/dbraw/zinc/66/22/94/986662294.db2.gz FZKAHYKBJWAHIH-NWDGAFQWSA-N 2 1 244.329 2.202 20 0 BEADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC001254525088 986662324 /nfs/dbraw/zinc/66/23/24/986662324.db2.gz FZKAHYKBJWAHIH-NWDGAFQWSA-N 2 1 244.329 2.202 20 0 BEADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC001254525088 986662346 /nfs/dbraw/zinc/66/23/46/986662346.db2.gz FZKAHYKBJWAHIH-NWDGAFQWSA-N 2 1 244.329 2.202 20 0 BEADMP [NH3+]CC1(C[N@H+]2CC[C@@H]2Cc2ccccc2)CC1 ZINC001580243974 986693406 /nfs/dbraw/zinc/69/34/06/986693406.db2.gz NGNMWYLETCDJJB-CQSZACIVSA-N 2 1 230.355 2.042 20 0 BEADMP Cc1cc(C)c(C[N@@H+](C)CC2CC[NH+](C)CC2)[nH]1 ZINC001137327642 986779318 /nfs/dbraw/zinc/77/93/18/986779318.db2.gz AFFBKDGYKYZEJD-UHFFFAOYSA-N 2 1 249.402 2.405 20 0 BEADMP CCCC[C@@H](C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001255332199 986926785 /nfs/dbraw/zinc/92/67/85/986926785.db2.gz KSVDMHNOVMPRJZ-GFCCVEGCSA-N 2 1 221.348 2.320 20 0 BEADMP CCCC[C@@H](C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001255332199 986926796 /nfs/dbraw/zinc/92/67/96/986926796.db2.gz KSVDMHNOVMPRJZ-GFCCVEGCSA-N 2 1 221.348 2.320 20 0 BEADMP CC[C@@]1(C)CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000697036855 987346207 /nfs/dbraw/zinc/34/62/07/987346207.db2.gz MSSRCJHNDAUIHS-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000697052753 987347214 /nfs/dbraw/zinc/34/72/14/987347214.db2.gz QJPMGXYWYNNUTE-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)[C@H](C)C1 ZINC000697053689 987348248 /nfs/dbraw/zinc/34/82/48/987348248.db2.gz WGLGVGUZTWEZDF-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]CCCCCCCC[NH3+])C[NH2+]1 ZINC001246079531 987372713 /nfs/dbraw/zinc/37/27/13/987372713.db2.gz KPVSASALKWWMFN-UONOGXRCSA-N 3 1 241.423 2.016 20 0 BEADMP CCC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000699309618 987373121 /nfs/dbraw/zinc/37/31/21/987373121.db2.gz AEZLHQWMUUJYNZ-YHWZYXNKSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]C2(C)CCCCC2)C[NH2+]1 ZINC001246080834 987375903 /nfs/dbraw/zinc/37/59/03/987375903.db2.gz KPWVNTAWDGJGJC-RYUDHWBXSA-N 2 1 210.365 2.439 20 0 BEADMP CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246087702 987388492 /nfs/dbraw/zinc/38/84/92/987388492.db2.gz ZWXHGLQAHREZNT-LOWDOPEQSA-N 2 1 210.365 2.295 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC001246103331 987427398 /nfs/dbraw/zinc/42/73/98/987427398.db2.gz XUFPLHNEXWPVCJ-OAHLLOKOSA-N 2 1 232.371 2.269 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCC[C@H](C)C1 ZINC001246102793 987430380 /nfs/dbraw/zinc/43/03/80/987430380.db2.gz QVUWSIHYHLYEBM-UMSGYPCISA-N 2 1 210.365 2.153 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246116404 987456641 /nfs/dbraw/zinc/45/66/41/987456641.db2.gz DWJITQKHVLKKSO-ZOBORPQBSA-N 2 1 242.407 2.168 20 0 BEADMP CC[C@H](CC(C)C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246116940 987457957 /nfs/dbraw/zinc/45/79/57/987457957.db2.gz HAUYEJZDTNANRD-JHJVBQTASA-N 2 1 212.381 2.399 20 0 BEADMP Cc1cccc2c1CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C2 ZINC001246121965 987468504 /nfs/dbraw/zinc/46/85/04/987468504.db2.gz CYHUDWJPFQJPFS-CABCVRRESA-N 2 1 244.382 2.194 20 0 BEADMP Cc1cccc2c1CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)C2 ZINC001246121966 987469182 /nfs/dbraw/zinc/46/91/82/987469182.db2.gz CYHUDWJPFQJPFS-GJZGRUSLSA-N 2 1 244.382 2.194 20 0 BEADMP Fc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)C2 ZINC001246126934 987473507 /nfs/dbraw/zinc/47/35/07/987473507.db2.gz KXHAJXYRNBBECG-GJZGRUSLSA-N 2 1 248.345 2.025 20 0 BEADMP CC(C)CC[C@H](C)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246127896 987476161 /nfs/dbraw/zinc/47/61/61/987476161.db2.gz CMIUNLFFJBWNMI-NWDGAFQWSA-N 2 1 210.365 2.153 20 0 BEADMP CCCCC[C@@H](C)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246128095 987478043 /nfs/dbraw/zinc/47/80/43/987478043.db2.gz DQVPHPJEXAMCEF-NEPJUHHUSA-N 2 1 210.365 2.297 20 0 BEADMP Cc1ccc(C[C@H](C)[NH2+][C@@H]2C[NH2+]CC23CC3)cc1 ZINC001246130677 987482943 /nfs/dbraw/zinc/48/29/43/987482943.db2.gz JCAOITBFUNQZDZ-DZGCQCFKSA-N 2 1 244.382 2.268 20 0 BEADMP Cc1ccc(C[C@H](C)[NH2+][C@H]2C[NH2+]CC23CC3)cc1 ZINC001246130681 987485138 /nfs/dbraw/zinc/48/51/38/987485138.db2.gz JCAOITBFUNQZDZ-ZFWWWQNUSA-N 2 1 244.382 2.268 20 0 BEADMP CCC[C@@H](Cc1ccccc1)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246137699 987495052 /nfs/dbraw/zinc/49/50/52/987495052.db2.gz ZVNZPLWCANAFMB-JYJNAYRXSA-N 2 1 244.382 2.349 20 0 BEADMP C[C@H]1CC([NH2+]C[C@]2(F)CCC[NH2+]C2)C[C@H](C)C1 ZINC001246170207 987532570 /nfs/dbraw/zinc/53/25/70/987532570.db2.gz FCODBAIPUQLPES-BZPMIXESSA-N 2 1 242.382 2.492 20 0 BEADMP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246188123 987570642 /nfs/dbraw/zinc/57/06/42/987570642.db2.gz VHDFYGJEQMZFTQ-SMDDNHRTSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C[NH2+]1 ZINC001246238370 987638089 /nfs/dbraw/zinc/63/80/89/987638089.db2.gz LPGYBPLFBUOTEB-WCQYABFASA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCCC2CCCC2)C[NH2+]1 ZINC001246238369 987638275 /nfs/dbraw/zinc/63/82/75/987638275.db2.gz LPGYBPLFBUOTEB-DGCLKSJQSA-N 2 1 210.365 2.297 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccccn1 ZINC001246240609 987640906 /nfs/dbraw/zinc/64/09/06/987640906.db2.gz QYSKABQBKWTTAO-XQQFMLRXSA-N 2 1 233.359 2.263 20 0 BEADMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccccn1 ZINC001246240602 987642163 /nfs/dbraw/zinc/64/21/63/987642163.db2.gz QYSKABQBKWTTAO-AVGNSLFASA-N 2 1 233.359 2.263 20 0 BEADMP CC[NH2+]CC[NH2+][C@H]1CCc2c(C)cccc2C1 ZINC001246272865 987665164 /nfs/dbraw/zinc/66/51/64/987665164.db2.gz OIMZQYFDKPPRQD-AWEZNQCLSA-N 2 1 232.371 2.051 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1CCc2ccc(C)cc2C1 ZINC001246275010 987670233 /nfs/dbraw/zinc/67/02/33/987670233.db2.gz OMGIOZQKNASPFG-OAHLLOKOSA-N 2 1 232.371 2.051 20 0 BEADMP CC[C@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C1 ZINC001246292055 987686414 /nfs/dbraw/zinc/68/64/14/987686414.db2.gz WUXLKDWZZARFLX-AVGNSLFASA-N 2 1 210.365 2.297 20 0 BEADMP CC[C@@H]([NH3+])CC[NH2+][C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246303944 987699850 /nfs/dbraw/zinc/69/98/50/987699850.db2.gz BMKGONXEVGHFFZ-MQYQWHSLSA-N 3 1 241.423 2.013 20 0 BEADMP CC[C@H]([NH3+])CC[NH2+][C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246303942 987701205 /nfs/dbraw/zinc/70/12/05/987701205.db2.gz BMKGONXEVGHFFZ-FQUUOJAGSA-N 3 1 241.423 2.013 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1cccc(O)c1 ZINC001246310767 987713716 /nfs/dbraw/zinc/71/37/16/987713716.db2.gz VKOBLRYIUQSSFG-GVXVVHGQSA-N 2 1 234.343 2.183 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CSc2ccccc2C1 ZINC001246314929 987718686 /nfs/dbraw/zinc/71/86/86/987718686.db2.gz RHCCJNJWNLQCFL-VXGBXAGGSA-N 2 1 236.384 2.030 20 0 BEADMP CC[C@H](CC(C)C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC001246324854 987732164 /nfs/dbraw/zinc/73/21/64/987732164.db2.gz HAUYEJZDTNANRD-XQQFMLRXSA-N 2 1 212.381 2.399 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C2(C)Cc3ccccc3C2)C[NH2+]1 ZINC001246347159 987755620 /nfs/dbraw/zinc/75/56/20/987755620.db2.gz GHSYVXMCSFIKRX-DOMZBBRYSA-N 2 1 244.382 2.274 20 0 BEADMP C[C@H](Cc1cccc(O)c1)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246352495 987759183 /nfs/dbraw/zinc/75/91/83/987759183.db2.gz PBHPQRYOXWBFBX-YRGRVCCFSA-N 2 1 248.370 2.053 20 0 BEADMP C[C@H](Cc1cccc(O)c1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246352495 987759188 /nfs/dbraw/zinc/75/91/88/987759188.db2.gz PBHPQRYOXWBFBX-YRGRVCCFSA-N 2 1 248.370 2.053 20 0 BEADMP CC1(C)C[C@@H]([NH2+][C@H]2CNc3ccccc32)CC[NH2+]1 ZINC001246357011 987763674 /nfs/dbraw/zinc/76/36/74/987763674.db2.gz SAWFNBZJRLSDSQ-FZMZJTMJSA-N 2 1 245.370 2.273 20 0 BEADMP C[C@@H]1CC([NH2+][C@@H]2CNc3ccccc32)C[C@@H](C)[NH2+]1 ZINC001246354432 987764208 /nfs/dbraw/zinc/76/42/08/987764208.db2.gz FFOGVHCPVZLBDV-UEKVPHQBSA-N 2 1 245.370 2.272 20 0 BEADMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[NH2+]C2)nc1 ZINC001246385085 987778769 /nfs/dbraw/zinc/77/87/69/987778769.db2.gz DSIZUKIAHMPTOZ-CYBMUJFWSA-N 2 1 247.386 2.009 20 0 BEADMP c1ccc(CC2(C[NH2+][C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001246387896 987779563 /nfs/dbraw/zinc/77/95/63/987779563.db2.gz LUIJYUGEJHUMQJ-HNNXBMFYSA-N 2 1 244.382 2.351 20 0 BEADMP Fc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC001246395968 987784473 /nfs/dbraw/zinc/78/44/73/987784473.db2.gz NKAFZOWOPMSDOZ-CABCVRRESA-N 2 1 248.345 2.025 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C2(CC3CC3)CC2)C[NH2+]1 ZINC001246442835 987793954 /nfs/dbraw/zinc/79/39/54/987793954.db2.gz FAJWLOSJXBRXKJ-ZYHUDNBSSA-N 2 1 208.349 2.049 20 0 BEADMP CC1(C)CC[C@@H](C[NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC001246438625 987798481 /nfs/dbraw/zinc/79/84/81/987798481.db2.gz YNKDONLSBGSFCG-VXGBXAGGSA-N 2 1 210.365 2.154 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]C2(CC3CC3)CC2)C[NH2+]1 ZINC001246442830 987800642 /nfs/dbraw/zinc/80/06/42/987800642.db2.gz FAJWLOSJXBRXKJ-CMPLNLGQSA-N 2 1 208.349 2.049 20 0 BEADMP CC(C)=CCC[C@H](C)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246452734 987808893 /nfs/dbraw/zinc/80/88/93/987808893.db2.gz LZEPOUBXMOBZJG-AWEZNQCLSA-N 3 1 241.423 2.039 20 0 BEADMP Fc1ccc(CC2([NH2+][C@@H]3CCCNC3)CC2)cc1 ZINC001246463226 987823373 /nfs/dbraw/zinc/82/33/73/987823373.db2.gz DWBLQONVOLALKF-CQSZACIVSA-N 2 1 248.345 2.242 20 0 BEADMP CCCCCC[C@@H](C)[NH2+][C@H]1C[NH2+][C@H](COC)C1 ZINC001246468381 987825993 /nfs/dbraw/zinc/82/59/93/987825993.db2.gz YIKZOGOQFVJZSU-MCIONIFRSA-N 2 1 242.407 2.312 20 0 BEADMP C[C@H]1CC[C@H](C)C1[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246496440 987849906 /nfs/dbraw/zinc/84/99/06/987849906.db2.gz UKQINANDJXXSHP-YFKTTZPYSA-N 2 1 210.365 2.151 20 0 BEADMP CC[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H](C)C2)C1 ZINC001246499042 987852769 /nfs/dbraw/zinc/85/27/69/987852769.db2.gz RPGQDVYIJKLATB-LPWJVIDDSA-N 2 1 210.365 2.153 20 0 BEADMP CCCC[C@@H](CC)[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246530798 987885544 /nfs/dbraw/zinc/88/55/44/987885544.db2.gz BSWFZYSFSAJHSK-VXGBXAGGSA-N 2 1 210.365 2.378 20 0 BEADMP CCCC[C@@H](CC)[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246530798 987885546 /nfs/dbraw/zinc/88/55/46/987885546.db2.gz BSWFZYSFSAJHSK-VXGBXAGGSA-N 2 1 210.365 2.378 20 0 BEADMP CCCCC[C@H](C)[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246534191 987890361 /nfs/dbraw/zinc/89/03/61/987890361.db2.gz QRTWZKVDWWEOSU-NWDGAFQWSA-N 2 1 210.365 2.378 20 0 BEADMP CCCCC[C@H](C)[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246534191 987890366 /nfs/dbraw/zinc/89/03/66/987890366.db2.gz QRTWZKVDWWEOSU-NWDGAFQWSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)C[C@@H]1C ZINC001246532804 987891760 /nfs/dbraw/zinc/89/17/60/987891760.db2.gz KFPNBJLESLLKJU-YVECIDJPSA-N 2 1 222.376 2.234 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]([NH3+])C3(CC3)C2)C[C@@H]1C ZINC001246532804 987891764 /nfs/dbraw/zinc/89/17/64/987891764.db2.gz KFPNBJLESLLKJU-YVECIDJPSA-N 2 1 222.376 2.234 20 0 BEADMP C[C@H]1CC([N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)C[C@H](C)C1 ZINC001246535370 987893270 /nfs/dbraw/zinc/89/32/70/987893270.db2.gz YEKBGQHLAMIXDE-NQBHXWOUSA-N 2 1 222.376 2.234 20 0 BEADMP C[C@H]1CC([N@H+]2C[C@@H]([NH3+])C3(CC3)C2)C[C@H](C)C1 ZINC001246535370 987893274 /nfs/dbraw/zinc/89/32/74/987893274.db2.gz YEKBGQHLAMIXDE-NQBHXWOUSA-N 2 1 222.376 2.234 20 0 BEADMP CCCC[C@@H](CCC)[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001246536317 987893916 /nfs/dbraw/zinc/89/39/16/987893916.db2.gz ULRNRQAORQYOND-KGLIPLIRSA-N 2 1 242.407 2.395 20 0 BEADMP CC(C)OCC[C@H](C)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246538413 987899081 /nfs/dbraw/zinc/89/90/81/987899081.db2.gz BVMVTEZYKXIRQR-QWHCGFSZSA-N 2 1 228.380 2.003 20 0 BEADMP CC[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]([NH3+])CC2)C1 ZINC001246539263 987906382 /nfs/dbraw/zinc/90/63/82/987906382.db2.gz GPBUZHPAQFDDKA-UPJWGTAASA-N 2 1 210.365 2.378 20 0 BEADMP CC(C)COCC[C@H](C)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246541813 987912401 /nfs/dbraw/zinc/91/24/01/987912401.db2.gz NSEKRSUTZPXJSL-UONOGXRCSA-N 2 1 242.407 2.251 20 0 BEADMP CC[N@H+](CCn1cc[nH+]c1C)C(C)(C)C ZINC001117790558 987918024 /nfs/dbraw/zinc/91/80/24/987918024.db2.gz AGZODJZZJQLTHC-UHFFFAOYSA-N 2 1 209.337 2.312 20 0 BEADMP CC[N@@H+](CCn1cc[nH+]c1C)C(C)(C)C ZINC001117790558 987918031 /nfs/dbraw/zinc/91/80/31/987918031.db2.gz AGZODJZZJQLTHC-UHFFFAOYSA-N 2 1 209.337 2.312 20 0 BEADMP Cc1ccc2c(c1)C[N@@H+]([C@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC001246547679 987929428 /nfs/dbraw/zinc/92/94/28/987929428.db2.gz MCZSYUFUBHUXES-BBRMVZONSA-N 2 1 244.382 2.494 20 0 BEADMP C[C@@H](Cc1cccnc1)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246548062 987938513 /nfs/dbraw/zinc/93/85/13/987938513.db2.gz FIIQWBBCFLKCNA-DZGCQCFKSA-N 2 1 247.386 2.216 20 0 BEADMP CCOCC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246559226 987980654 /nfs/dbraw/zinc/98/06/54/987980654.db2.gz CLPGVGUHFFONKT-IHRRRGAJSA-N 2 1 242.407 2.108 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)C1 ZINC001246559833 987984047 /nfs/dbraw/zinc/98/40/47/987984047.db2.gz TZIRKJMWUMGSHA-OUAUKWLOSA-N 2 1 232.318 2.091 20 0 BEADMP CCC(CC)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246561930 987997632 /nfs/dbraw/zinc/99/76/32/987997632.db2.gz USYNDFFNBYPQKT-VXGBXAGGSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCC(F)(F)[C@H](C)C2)CC[NH2+]1 ZINC001246562938 988006493 /nfs/dbraw/zinc/00/64/93/988006493.db2.gz IKNHWNOWWILWQV-GMTAPVOTSA-N 2 1 232.318 2.104 20 0 BEADMP C[C@@H]1CC[N@H+]([C@@H]2CCCSC2)CC[C@@H]1C[NH3+] ZINC001246564769 988022079 /nfs/dbraw/zinc/02/20/79/988022079.db2.gz ZVISTNWUKMFYAQ-JHJVBQTASA-N 2 1 242.432 2.189 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@H]1CCCOc2ccccc21 ZINC001118122037 988024294 /nfs/dbraw/zinc/02/42/94/988024294.db2.gz NBTYWEAXLLFZJE-JSGCOSHPSA-N 2 1 248.370 2.488 20 0 BEADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3C[C@H]3C2)CCC[C@H]1C[NH3+] ZINC001246571760 988060532 /nfs/dbraw/zinc/06/05/32/988060532.db2.gz WYZLHAYFWBAYGA-BJJPWKGXSA-N 2 1 222.376 2.092 20 0 BEADMP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2CCCOCC2)CC1 ZINC001246574616 988070267 /nfs/dbraw/zinc/07/02/67/988070267.db2.gz IIBSCVFZIZNWKB-KGLIPLIRSA-N 2 1 240.391 2.006 20 0 BEADMP CCCCCC[C@@H](CC)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246573693 988075519 /nfs/dbraw/zinc/07/55/19/988075519.db2.gz ZBXNORFYAXWRAS-MGPQQGTHSA-N 2 1 242.407 2.129 20 0 BEADMP C[C@@]1(C[NH3+])CCC[N@H+](C2CCCC2)CC1 ZINC001246580664 988108341 /nfs/dbraw/zinc/10/83/41/988108341.db2.gz XOLCNYMXUPWAMY-CYBMUJFWSA-N 2 1 210.365 2.380 20 0 BEADMP [NH3+][C@H]1CC[N@@H+](C2CCCCCC2)CC[C@@H]1F ZINC001246596118 988199906 /nfs/dbraw/zinc/19/99/06/988199906.db2.gz ZGIMYVYSXZMMQG-STQMWFEESA-N 2 1 228.355 2.470 20 0 BEADMP [NH3+][C@H]1CC[N@H+](C2CCCCCC2)CC[C@@H]1F ZINC001246596118 988199915 /nfs/dbraw/zinc/19/99/15/988199915.db2.gz ZGIMYVYSXZMMQG-STQMWFEESA-N 2 1 228.355 2.470 20 0 BEADMP C[C@@H]1C[C@H]([NH+]2CC3(C[NH2+]C3)C2)CC(C)(C)C1 ZINC001246612078 988239481 /nfs/dbraw/zinc/23/94/81/988239481.db2.gz FKRKSSUGXRYANH-NEPJUHHUSA-N 2 1 222.376 2.106 20 0 BEADMP C1CCC2(C1)CCC[N@H+](C1CC[NH2+]CC1)C2 ZINC001246613022 988244821 /nfs/dbraw/zinc/24/48/21/988244821.db2.gz KFYGFIKBASBVCA-UHFFFAOYSA-N 2 1 222.376 2.395 20 0 BEADMP C[C@H]1CC([N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)C[C@H](C)C1 ZINC001246625029 988278749 /nfs/dbraw/zinc/27/87/49/988278749.db2.gz QTZNGDUNHBQJRF-GUIRCDHDSA-N 2 1 236.403 2.495 20 0 BEADMP CCCC[C@@H](CCC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246624468 988284755 /nfs/dbraw/zinc/28/47/55/988284755.db2.gz NGDMWGNDPJPUAK-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)CC[C@@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246629627 988308063 /nfs/dbraw/zinc/30/80/63/988308063.db2.gz FORKKPOBYIFSCZ-FRRDWIJNSA-N 2 1 210.365 2.247 20 0 BEADMP CC(C)CC[C@@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246629627 988308078 /nfs/dbraw/zinc/30/80/78/988308078.db2.gz FORKKPOBYIFSCZ-FRRDWIJNSA-N 2 1 210.365 2.247 20 0 BEADMP CC[C@@H](C)C[C@@H](CC)[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001246631532 988309693 /nfs/dbraw/zinc/30/96/93/988309693.db2.gz QHWNROSGGDKQJX-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H](CC(C)C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246631781 988315757 /nfs/dbraw/zinc/31/57/57/988315757.db2.gz SIOPDWHSQXIUHE-KBPBESRZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]32)C[C@@H](C)C1 ZINC001246634312 988320918 /nfs/dbraw/zinc/32/09/18/988320918.db2.gz BOUUIINJSAJAFI-MEBFFEOJSA-N 2 1 222.376 2.105 20 0 BEADMP C1C[C@@H]2[C@@H](CC[N@H+]2C2CCCCCC2)[NH2+]1 ZINC001246642134 988347504 /nfs/dbraw/zinc/34/75/04/988347504.db2.gz ZIWUCUXKKPQASX-CHWSQXEVSA-N 2 1 208.349 2.145 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC001322633880 988350641 /nfs/dbraw/zinc/35/06/41/988350641.db2.gz OCWUFMYRNBULQE-LBPRGKRZSA-N 2 1 236.403 2.497 20 0 BEADMP CCCC(CCC)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246640974 988352098 /nfs/dbraw/zinc/35/20/98/988352098.db2.gz VVEXXWCRNHSJGL-CHWSQXEVSA-N 2 1 210.365 2.391 20 0 BEADMP C[C@H]1CC([N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H](C)C1 ZINC001246647252 988365273 /nfs/dbraw/zinc/36/52/73/988365273.db2.gz JKXBESTWCJFNSE-SYQHCUMBSA-N 2 1 236.403 2.352 20 0 BEADMP CCCCC[C@@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246647714 988373038 /nfs/dbraw/zinc/37/30/38/988373038.db2.gz MQOOBFZIGQGXCY-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)CC[C@H](C)[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246650464 988378592 /nfs/dbraw/zinc/37/85/92/988378592.db2.gz IMQNUATYJROIPZ-RWMBFGLXSA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)CC[C@H](C)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246650464 988378597 /nfs/dbraw/zinc/37/85/97/988378597.db2.gz IMQNUATYJROIPZ-RWMBFGLXSA-N 2 1 210.365 2.105 20 0 BEADMP CCCC[C@@H](CC)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246654929 988379239 /nfs/dbraw/zinc/37/92/39/988379239.db2.gz XRPPFQXSFHRTQZ-YNEHKIRRSA-N 2 1 210.365 2.249 20 0 BEADMP CCCCC[C@@H](CC)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246653891 988380360 /nfs/dbraw/zinc/38/03/60/988380360.db2.gz BMGXNDCTDAUABS-NDBYEHHHSA-N 2 1 210.365 2.234 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2CC3(CC3(F)F)C2)CC[N@@H+]1C ZINC001118491994 988380487 /nfs/dbraw/zinc/38/04/87/988380487.db2.gz MBRKIYGXANVJSY-QKEWWQLBSA-N 2 1 244.329 2.247 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2CC3(CC3(F)F)C2)CC[N@H+]1C ZINC001118491994 988380499 /nfs/dbraw/zinc/38/04/99/988380499.db2.gz MBRKIYGXANVJSY-QKEWWQLBSA-N 2 1 244.329 2.247 20 0 BEADMP CCCCC[C@H](C)[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246655696 988384248 /nfs/dbraw/zinc/38/42/48/988384248.db2.gz ZJLOHMYLNVFRMD-RWMBFGLXSA-N 2 1 210.365 2.249 20 0 BEADMP CCCCC[C@H](C)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246655696 988384262 /nfs/dbraw/zinc/38/42/62/988384262.db2.gz ZJLOHMYLNVFRMD-RWMBFGLXSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1C[C@H]([N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)CC(C)(C)C1 ZINC001246659785 988390525 /nfs/dbraw/zinc/39/05/25/988390525.db2.gz HENGGZJFUBQPRD-NWBUJAPZSA-N 2 1 222.376 2.090 20 0 BEADMP C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)CC(C)(C)C1 ZINC001246659786 988391477 /nfs/dbraw/zinc/39/14/77/988391477.db2.gz HENGGZJFUBQPRD-OFTGVCEQSA-N 2 1 222.376 2.090 20 0 BEADMP CC1(C)CC[C@@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC001246662565 988397760 /nfs/dbraw/zinc/39/77/60/988397760.db2.gz IHPBRGJPUSIKKM-YRGRVCCFSA-N 2 1 222.376 2.378 20 0 BEADMP CCCC[C@H](CCC)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246661464 988400346 /nfs/dbraw/zinc/40/03/46/988400346.db2.gz XRVVYGXYMYXATN-WUHRBBMRSA-N 2 1 210.365 2.234 20 0 BEADMP CC[C@H](CC(C)C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001246665170 988403214 /nfs/dbraw/zinc/40/32/14/988403214.db2.gz YUSBUEXCDKNFRU-MCIONIFRSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](CC(C)C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001246665170 988403216 /nfs/dbraw/zinc/40/32/16/988403216.db2.gz YUSBUEXCDKNFRU-MCIONIFRSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]1CCC[C@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC001246666667 988408117 /nfs/dbraw/zinc/40/81/17/988408117.db2.gz RPOBIGCGUMYTCB-RFQIPJPRSA-N 2 1 222.376 2.378 20 0 BEADMP CCCC[C@@H](CCC)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246667071 988409587 /nfs/dbraw/zinc/40/95/87/988409587.db2.gz XRVVYGXYMYXATN-FVCCEPFGSA-N 2 1 210.365 2.234 20 0 BEADMP C[C@@H]1CCC[C@@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC001246666654 988411806 /nfs/dbraw/zinc/41/18/06/988411806.db2.gz RPOBIGCGUMYTCB-AAVRWANBSA-N 2 1 222.376 2.378 20 0 BEADMP CCc1ccc(C[C@@H](C)[N@@H+](C)CCC[NH3+])cc1 ZINC001246681804 988428602 /nfs/dbraw/zinc/42/86/02/988428602.db2.gz QSLLRKVCQKFKDA-CYBMUJFWSA-N 2 1 234.387 2.461 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+](C)CCOc2ccccc2)CC[NH2+]1 ZINC001246782724 988464472 /nfs/dbraw/zinc/46/44/72/988464472.db2.gz ULLLNXWVVYVOSL-ZIAGYGMSSA-N 2 1 248.370 2.138 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CCCC3(C[NH2+]C3)C2)C[C@H]1C ZINC001246792230 988468345 /nfs/dbraw/zinc/46/83/45/988468345.db2.gz ORBVMOXMLUWNIW-MCIONIFRSA-N 2 1 236.403 2.497 20 0 BEADMP FC1(F)C[C@]12CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246804722 988485544 /nfs/dbraw/zinc/48/55/44/988485544.db2.gz BPLFEVOMMVCCQM-MBYGNEARSA-N 2 1 242.313 2.001 20 0 BEADMP C[NH2+]CC[C@H](C)[N@@H+](C)CCc1cccc(C)c1 ZINC001246815009 988494562 /nfs/dbraw/zinc/49/45/62/988494562.db2.gz UFVFFOUVJDCNQL-AWEZNQCLSA-N 2 1 234.387 2.467 20 0 BEADMP CCC(CC)[N@@H+](CC)[C@H](C)CC[NH2+]C ZINC001246838698 988524351 /nfs/dbraw/zinc/52/43/51/988524351.db2.gz DWTLEVBHJHPXBG-LLVKDONJSA-N 2 1 200.370 2.495 20 0 BEADMP CCCC[C@H](CC)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001246842545 988546253 /nfs/dbraw/zinc/54/62/53/988546253.db2.gz CIJQFELMXXOATR-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP CCCC(CCC)[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001246846430 988553049 /nfs/dbraw/zinc/55/30/49/988553049.db2.gz NPDAZVZRNKDCEM-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP Fc1ccc([C@H]2CC[N@H+](C3CC[NH2+]CC3)C2)cc1 ZINC001246849834 988560990 /nfs/dbraw/zinc/56/09/90/988560990.db2.gz SGYFDWFEYSHDGD-ZDUSSCGKSA-N 2 1 248.345 2.367 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246850256 988562030 /nfs/dbraw/zinc/56/20/30/988562030.db2.gz BWOUWYNYSLOQBZ-IGQOVBAYSA-N 2 1 240.391 2.003 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246850256 988562041 /nfs/dbraw/zinc/56/20/41/988562041.db2.gz BWOUWYNYSLOQBZ-IGQOVBAYSA-N 2 1 240.391 2.003 20 0 BEADMP COc1ccc([C@@H](C)[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC001246853017 988569387 /nfs/dbraw/zinc/56/93/87/988569387.db2.gz QJYIVPBYMZLEPC-GFCCVEGCSA-N 2 1 248.370 2.440 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)C[C@@H](C)C1 ZINC001246852228 988570345 /nfs/dbraw/zinc/57/03/45/988570345.db2.gz ICDFBZXQVJUZAV-MEBFFEOJSA-N 2 1 222.376 2.234 20 0 BEADMP Cc1ccc(C[C@H](C)[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001246858706 988594489 /nfs/dbraw/zinc/59/44/89/988594489.db2.gz HYAVMZRXHBILKG-NUEKZKHPSA-N 2 1 244.382 2.349 20 0 BEADMP Cc1ccc([C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)cn1 ZINC001246862665 988602414 /nfs/dbraw/zinc/60/24/14/988602414.db2.gz MLEPOGRKNVRYDT-HNNXBMFYSA-N 2 1 245.370 2.279 20 0 BEADMP CCCC[C@H](CC)[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246863971 988614225 /nfs/dbraw/zinc/61/42/25/988614225.db2.gz STXCJZAOWKDXBZ-AVGNSLFASA-N 2 1 210.365 2.378 20 0 BEADMP [NH3+][C@@]12CC[C@H]1C[N@H+](C1CCCCCC1)C2 ZINC001246862767 988615692 /nfs/dbraw/zinc/61/56/92/988615692.db2.gz RHYPIDMGCSDFNF-WCQYABFASA-N 2 1 208.349 2.132 20 0 BEADMP C[C@@H]1CC([N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)C[C@@H](C)C1 ZINC001246867371 988619404 /nfs/dbraw/zinc/61/94/04/988619404.db2.gz OEVQJGQZKMAOAK-XUXIUFHCSA-N 2 1 236.403 2.495 20 0 BEADMP CC(C)C1CCC([N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246872698 988636471 /nfs/dbraw/zinc/63/64/71/988636471.db2.gz SNBXTRBVSDYRJQ-FKZOYECMSA-N 2 1 222.376 2.234 20 0 BEADMP CC(C)C1CCC([N@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246872698 988636489 /nfs/dbraw/zinc/63/64/89/988636489.db2.gz SNBXTRBVSDYRJQ-FKZOYECMSA-N 2 1 222.376 2.234 20 0 BEADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2ccccn2)CC[NH2+]1 ZINC001246884318 988649814 /nfs/dbraw/zinc/64/98/14/988649814.db2.gz AIIFANYEGHNOCQ-KCQAQPDRSA-N 2 1 245.370 2.359 20 0 BEADMP CC(C)C1CCC([N@@H+]2C[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246921248 988730642 /nfs/dbraw/zinc/73/06/42/988730642.db2.gz RTPVMOCXZQQQOW-YIOUJQMASA-N 2 1 222.376 2.105 20 0 BEADMP CC(C)C1CCC([N@H+]2C[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246921248 988730661 /nfs/dbraw/zinc/73/06/61/988730661.db2.gz RTPVMOCXZQQQOW-YIOUJQMASA-N 2 1 222.376 2.105 20 0 BEADMP CC[C@H](C[C@@H](C)CC)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246949545 988789017 /nfs/dbraw/zinc/78/90/17/988789017.db2.gz UBIVQKGRMBUJER-MEBFFEOJSA-N 2 1 224.392 2.351 20 0 BEADMP CO[C@@H]1C[N@H+]([C@H](C)C[C@@H](C)CC(C)C)C[C@@H]1N ZINC001246983887 988813683 /nfs/dbraw/zinc/81/36/83/988813683.db2.gz VTJDXDOLENTBCH-RFQIPJPRSA-N 2 1 242.407 2.105 20 0 BEADMP CCCCCC[C@H](C)[N@@H+]1C[C@@H](OC)[C@@H](N)C1 ZINC001246982951 988814440 /nfs/dbraw/zinc/81/44/40/988814440.db2.gz KQXMPFKAWPEVQP-RWMBFGLXSA-N 2 1 228.380 2.003 20 0 BEADMP CCCCCC[C@H](C)N1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982951 988814444 /nfs/dbraw/zinc/81/44/44/988814444.db2.gz KQXMPFKAWPEVQP-RWMBFGLXSA-N 2 1 228.380 2.003 20 0 BEADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1C[C@@H](OC)[C@@H](N)C1 ZINC001246982623 988814619 /nfs/dbraw/zinc/81/46/19/988814619.db2.gz GOKVLLCUOLYXOY-XDQVBPFNSA-N 2 1 242.407 2.249 20 0 BEADMP CCC[C@H](C)CC[C@H](C)N1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982623 988814626 /nfs/dbraw/zinc/81/46/26/988814626.db2.gz GOKVLLCUOLYXOY-XDQVBPFNSA-N 2 1 242.407 2.249 20 0 BEADMP CCCC[C@H](CCC)[N@@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246993027 988826267 /nfs/dbraw/zinc/82/62/67/988826267.db2.gz YOJIBYNPBYNZDD-QWHCGFSZSA-N 2 1 240.391 2.005 20 0 BEADMP CCCC[C@H](CCC)[N@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246993027 988826273 /nfs/dbraw/zinc/82/62/73/988826273.db2.gz YOJIBYNPBYNZDD-QWHCGFSZSA-N 2 1 240.391 2.005 20 0 BEADMP CCSC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247005794 988836092 /nfs/dbraw/zinc/83/60/92/988836092.db2.gz GRRHQLYKVAPVGU-AVGNSLFASA-N 2 1 242.432 2.202 20 0 BEADMP CCSC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247005794 988836093 /nfs/dbraw/zinc/83/60/93/988836093.db2.gz GRRHQLYKVAPVGU-AVGNSLFASA-N 2 1 242.432 2.202 20 0 BEADMP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)C[C@@H]21 ZINC001247016734 988845310 /nfs/dbraw/zinc/84/53/10/988845310.db2.gz XNSNGCQBUWHFIX-ZSAUSMIDSA-N 2 1 248.414 2.495 20 0 BEADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)C[C@@H]21 ZINC001247016734 988845311 /nfs/dbraw/zinc/84/53/11/988845311.db2.gz XNSNGCQBUWHFIX-ZSAUSMIDSA-N 2 1 248.414 2.495 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C/C=C/C2CC2)[C@@H]2CCC[C@@H]21 ZINC001324969394 989040207 /nfs/dbraw/zinc/04/02/07/989040207.db2.gz RAXSORIWVBRDJR-OJTLBJGBSA-N 2 1 234.387 2.415 20 0 BEADMP CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001326194981 989412238 /nfs/dbraw/zinc/41/22/38/989412238.db2.gz RESQDTMUKBUGGD-WUHRBBMRSA-N 2 1 242.432 2.343 20 0 BEADMP C[C@@H](Cc1ccco1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258188508 991099592 /nfs/dbraw/zinc/09/95/92/991099592.db2.gz LJIZJNKPLWMBAL-MJBXVCDLSA-N 2 1 248.370 2.094 20 0 BEADMP C[C@@H](Cc1ccco1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001258188508 991099603 /nfs/dbraw/zinc/09/96/03/991099603.db2.gz LJIZJNKPLWMBAL-MJBXVCDLSA-N 2 1 248.370 2.094 20 0 BEADMP C[C@@H](Cc1ccco1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001258188508 991099611 /nfs/dbraw/zinc/09/96/11/991099611.db2.gz LJIZJNKPLWMBAL-MJBXVCDLSA-N 2 1 248.370 2.094 20 0 BEADMP CSCC[C@@H](C)n1cc[nH+]c1CCC[NH3+] ZINC001258212489 991132664 /nfs/dbraw/zinc/13/26/64/991132664.db2.gz GDEQIXWJZOKLDJ-SNVBAGLBSA-N 2 1 227.377 2.089 20 0 BEADMP CSCC[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258226766 991156403 /nfs/dbraw/zinc/15/64/03/991156403.db2.gz RHHBGBGAQLLMOE-STQMWFEESA-N 2 1 242.432 2.156 20 0 BEADMP CSCC[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001258226766 991156416 /nfs/dbraw/zinc/15/64/16/991156416.db2.gz RHHBGBGAQLLMOE-STQMWFEESA-N 2 1 242.432 2.156 20 0 BEADMP CSCC[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001258226766 991156423 /nfs/dbraw/zinc/15/64/23/991156423.db2.gz RHHBGBGAQLLMOE-STQMWFEESA-N 2 1 242.432 2.156 20 0 BEADMP CSC(C)(C)C[C@H](C)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001258335130 991261807 /nfs/dbraw/zinc/26/18/07/991261807.db2.gz XFIUVFMPDHFRIB-MNOVXSKESA-N 2 1 232.437 2.433 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001560043058 991365791 /nfs/dbraw/zinc/36/57/91/991365791.db2.gz LEEZMBJVCUZDHY-ZSAUSMIDSA-N 2 1 236.403 2.305 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001560043058 991365794 /nfs/dbraw/zinc/36/57/94/991365794.db2.gz LEEZMBJVCUZDHY-ZSAUSMIDSA-N 2 1 236.403 2.305 20 0 BEADMP C[C@H](CC1CC1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258460587 991414253 /nfs/dbraw/zinc/41/42/53/991414253.db2.gz IWKNYLRXCMONKL-BNOWGMLFSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@H](CC1CC1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001258460587 991414264 /nfs/dbraw/zinc/41/42/64/991414264.db2.gz IWKNYLRXCMONKL-BNOWGMLFSA-N 2 1 222.376 2.059 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)CC3CC3)C[C@@H]2C1 ZINC001258472886 991441237 /nfs/dbraw/zinc/44/12/37/991441237.db2.gz QCZHTPTYTNMZGW-FPMFFAJLSA-N 2 1 222.376 2.059 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)CC3CC3)C[C@@H]2C1 ZINC001258472886 991441243 /nfs/dbraw/zinc/44/12/43/991441243.db2.gz QCZHTPTYTNMZGW-FPMFFAJLSA-N 2 1 222.376 2.059 20 0 BEADMP CCC[C@H](Cc1ccccc1)[NH2+]C1(C[NH3+])CC1 ZINC001258654323 991585669 /nfs/dbraw/zinc/58/56/69/991585669.db2.gz NAUBVHXYJNLKSE-CQSZACIVSA-N 2 1 232.371 2.479 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)C[C@@]1(C)CCCCO1 ZINC001560811590 991610377 /nfs/dbraw/zinc/61/03/77/991610377.db2.gz QFLRBUZCAJCLIO-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP Cc1cc(C[N@@H+](C)CCC[NH+](C)C)ccc1O ZINC001140575004 991676268 /nfs/dbraw/zinc/67/62/68/991676268.db2.gz ZDQDHEOLJMIBQP-UHFFFAOYSA-N 2 1 236.359 2.084 20 0 BEADMP Cc1cc(C[N@H+](C)CCC[NH+](C)C)ccc1O ZINC001140575004 991676274 /nfs/dbraw/zinc/67/62/74/991676274.db2.gz ZDQDHEOLJMIBQP-UHFFFAOYSA-N 2 1 236.359 2.084 20 0 BEADMP CCC[NH+]1CCC([N@@H+]2CCCC23CC3)CC1 ZINC001258771542 991739176 /nfs/dbraw/zinc/73/91/76/991739176.db2.gz IHSJPBVYQGVYCR-UHFFFAOYSA-N 2 1 222.376 2.489 20 0 BEADMP CCC[NH+]1CCC([N@H+]2CCCC23CC3)CC1 ZINC001258771542 991739191 /nfs/dbraw/zinc/73/91/91/991739191.db2.gz IHSJPBVYQGVYCR-UHFFFAOYSA-N 2 1 222.376 2.489 20 0 BEADMP CCC[NH+]1CCC([N@H+](CCOC)C(C)C)CC1 ZINC001258774037 991740780 /nfs/dbraw/zinc/74/07/80/991740780.db2.gz HUQYBVLFTODXDP-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP CCC[NH+]1CCC([N@@H+](CCOC)C(C)C)CC1 ZINC001258774037 991740792 /nfs/dbraw/zinc/74/07/92/991740792.db2.gz HUQYBVLFTODXDP-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP C[C@@H]1CCC[C@H]([N@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001258828076 991856730 /nfs/dbraw/zinc/85/67/30/991856730.db2.gz YPLXDCFAYAHLJM-OLZOCXBDSA-N 2 1 233.359 2.320 20 0 BEADMP C[C@@H]1CCC[C@H]([N@@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001258828076 991856733 /nfs/dbraw/zinc/85/67/33/991856733.db2.gz YPLXDCFAYAHLJM-OLZOCXBDSA-N 2 1 233.359 2.320 20 0 BEADMP CC[C@@H](Cc1ccccc1)[NH2+]C(C)(C)C[NH3+] ZINC001258838407 991871208 /nfs/dbraw/zinc/87/12/08/991871208.db2.gz XWNJLSISUINCBX-ZDUSSCGKSA-N 2 1 220.360 2.335 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001258908290 991898630 /nfs/dbraw/zinc/89/86/30/991898630.db2.gz ULHLEECAGSAPBX-UPJWGTAASA-N 2 1 248.361 2.489 20 0 BEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001258908290 991898634 /nfs/dbraw/zinc/89/86/34/991898634.db2.gz ULHLEECAGSAPBX-UPJWGTAASA-N 2 1 248.361 2.489 20 0 BEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC001258907559 991901011 /nfs/dbraw/zinc/90/10/11/991901011.db2.gz KMVMPSHGQDNYJK-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+]Cc1cc(C)ccc1F ZINC001261370733 992278091 /nfs/dbraw/zinc/27/80/91/992278091.db2.gz SGQHLFDLCZQTEM-LLVKDONJSA-N 2 1 224.323 2.222 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC001261424617 992293240 /nfs/dbraw/zinc/29/32/40/992293240.db2.gz ZETOSAOIVUJHDW-NXEZZACHSA-N 2 1 241.766 2.384 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccc(C)o1 ZINC001261424485 992298295 /nfs/dbraw/zinc/29/82/95/992298295.db2.gz VTCOXRYYSCUWPY-KOLCDFICSA-N 2 1 210.321 2.237 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]C/C=C\C2CC2)CC1(C)C ZINC001261789257 992508009 /nfs/dbraw/zinc/50/80/09/992508009.db2.gz XYVJRJNCWOSORV-DSYXLKISSA-N 2 1 222.376 2.415 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]CCC(C)(C)C)[C@@H]2C1 ZINC001474757051 992523824 /nfs/dbraw/zinc/52/38/24/992523824.db2.gz OTAHFWVGBKLQIC-YNEHKIRRSA-N 2 1 224.392 2.352 20 0 BEADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccco3)C[C@H]2C1 ZINC001262378401 992870995 /nfs/dbraw/zinc/87/09/95/992870995.db2.gz AULHWUJQRZADQH-MGPQQGTHSA-N 2 1 248.370 2.442 20 0 BEADMP C(C[N@@H+](CC1CC1)C1CCC1)[C@H]1CC[NH2+]C1 ZINC001574774810 992901687 /nfs/dbraw/zinc/90/16/87/992901687.db2.gz QLIACTVQCZTVGE-GFCCVEGCSA-N 2 1 222.376 2.251 20 0 BEADMP C1=CCCC(C[NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001574773395 992904164 /nfs/dbraw/zinc/90/41/64/992904164.db2.gz CQBROIGABVPXNU-ZDUSSCGKSA-N 2 1 208.349 2.074 20 0 BEADMP c1c[nH+]c([C@@H]2CCCN(c3cc[nH+]cc3)C2)[nH]1 ZINC001262671562 993012777 /nfs/dbraw/zinc/01/27/77/993012777.db2.gz JZEHINVULCVBCJ-LLVKDONJSA-N 2 1 228.299 2.189 20 0 BEADMP CC(C)=CC[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC001575391742 993036008 /nfs/dbraw/zinc/03/60/08/993036008.db2.gz QNWIMEKUNQIMGT-ZDUSSCGKSA-N 2 1 222.376 2.417 20 0 BEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC001575498155 993060312 /nfs/dbraw/zinc/06/03/12/993060312.db2.gz IXNRCRCAOHRLBH-PEBLQZBPSA-N 2 1 224.392 2.397 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+]C[C@H]1CC=CCC1 ZINC001575543944 993070416 /nfs/dbraw/zinc/07/04/16/993070416.db2.gz DQGPPQGMGXWUGR-QWHCGFSZSA-N 2 1 210.365 2.306 20 0 BEADMP C[C@@H](CCc1ccccc1F)[NH2+]C[C@H]1CC[NH2+]1 ZINC001575965755 993143607 /nfs/dbraw/zinc/14/36/07/993143607.db2.gz FHUSVRMKBZFBKR-WCQYABFASA-N 2 1 236.334 2.098 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc2c(c1)CCCC2 ZINC001576102172 993181114 /nfs/dbraw/zinc/18/11/14/993181114.db2.gz CBCVUDYRJWBFGG-RYUDHWBXSA-N 2 1 232.371 2.391 20 0 BEADMP CCCCC[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC000378717143 993199095 /nfs/dbraw/zinc/19/90/95/993199095.db2.gz CRYMNTHYMZVFBE-RWMBFGLXSA-N 2 1 210.365 2.249 20 0 BEADMP CCCCC[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC000378717143 993199100 /nfs/dbraw/zinc/19/91/00/993199100.db2.gz CRYMNTHYMZVFBE-RWMBFGLXSA-N 2 1 210.365 2.249 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC3)CC1 ZINC000378809308 993206456 /nfs/dbraw/zinc/20/64/56/993206456.db2.gz ZASUODYREVCHER-INIZCTEOSA-N 2 1 244.382 2.489 20 0 BEADMP C[C@H](CC1CC1)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000379855309 993289150 /nfs/dbraw/zinc/28/91/50/993289150.db2.gz BSZWEZJIMBIUCZ-YPMHNXCESA-N 2 1 210.365 2.236 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2C=CCCC2)CC1 ZINC000380360461 993327563 /nfs/dbraw/zinc/32/75/63/993327563.db2.gz YHHHNRMTSMSEEO-STQMWFEESA-N 2 1 208.349 2.169 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2C=CCCC2)CC1 ZINC000380360459 993327679 /nfs/dbraw/zinc/32/76/79/993327679.db2.gz YHHHNRMTSMSEEO-OLZOCXBDSA-N 2 1 208.349 2.169 20 0 BEADMP CC[C@@H]1CC[C@H]([NH2+]CCn2cc[nH+]c2C)C1 ZINC000380814880 993351140 /nfs/dbraw/zinc/35/11/40/993351140.db2.gz KVRKBZARVCBONM-OLZOCXBDSA-N 2 1 221.348 2.360 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)CC[NH2+]1 ZINC001576598523 993362965 /nfs/dbraw/zinc/36/29/65/993362965.db2.gz MGCDWEBVEFKCJJ-BHTHQVBYSA-N 2 1 248.414 2.495 20 0 BEADMP C[C@H]1CCC[C@H](C)[N@@H+](CC2(C[NH3+])CC2)C1 ZINC001576669530 993389221 /nfs/dbraw/zinc/38/92/21/993389221.db2.gz SKZMZDIYHYAIFU-RYUDHWBXSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CC[C@H](C)SC1 ZINC001576671359 993390479 /nfs/dbraw/zinc/39/04/79/993390479.db2.gz YTBMEGYBQQLLFW-WHOHXGKFSA-N 2 1 228.405 2.001 20 0 BEADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCSC2)[C@H](C)C1 ZINC000381512981 993402284 /nfs/dbraw/zinc/40/22/84/993402284.db2.gz RQHYYBOBDONXDB-JHJVBQTASA-N 2 1 242.432 2.200 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000382302644 993447169 /nfs/dbraw/zinc/44/71/69/993447169.db2.gz NVFPKRRBQBNHPH-CYBMUJFWSA-N 2 1 210.365 2.380 20 0 BEADMP CC[C@H](C)[N@@H+](CCO)C[C@@H]([NH3+])CCC(C)(C)C ZINC001576996835 993482190 /nfs/dbraw/zinc/48/21/90/993482190.db2.gz XQSDYQWDRIYWGW-STQMWFEESA-N 2 1 244.423 2.233 20 0 BEADMP CC[C@@H](CSC)[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577092644 993502118 /nfs/dbraw/zinc/50/21/18/993502118.db2.gz HTNAWMLQUBPKDE-TUAOUCFPSA-N 2 1 230.421 2.187 20 0 BEADMP CC[C@H]1CCCC[C@@H]1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001577249152 993562045 /nfs/dbraw/zinc/56/20/45/993562045.db2.gz FMGZQFKGGKKLAF-GBJTYRQASA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@H]1CCCC[C@@H]1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001577249152 993562054 /nfs/dbraw/zinc/56/20/54/993562054.db2.gz FMGZQFKGGKKLAF-GBJTYRQASA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000385233084 993656045 /nfs/dbraw/zinc/65/60/45/993656045.db2.gz SDVZYAXIQSDPIK-CYBMUJFWSA-N 2 1 244.382 2.217 20 0 BEADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000385233084 993656054 /nfs/dbraw/zinc/65/60/54/993656054.db2.gz SDVZYAXIQSDPIK-CYBMUJFWSA-N 2 1 244.382 2.217 20 0 BEADMP [NH3+]C[C@H]1CCCC[N@@H+](CCc2cccs2)C1 ZINC000390470306 993790740 /nfs/dbraw/zinc/79/07/40/993790740.db2.gz HCAXZRDXPYYVTC-GFCCVEGCSA-N 2 1 238.400 2.351 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC001333599607 994481822 /nfs/dbraw/zinc/48/18/22/994481822.db2.gz XLKOYRROHFVHTG-HIFRSBDPSA-N 2 1 232.371 2.268 20 0 BEADMP Cc1cccc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)[nH+]1 ZINC001336869667 995115630 /nfs/dbraw/zinc/11/56/30/995115630.db2.gz BPQWORWERXKSLL-YNEHKIRRSA-N 2 1 231.343 2.142 20 0 BEADMP Cc1cccc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)[nH+]1 ZINC001336869667 995115634 /nfs/dbraw/zinc/11/56/34/995115634.db2.gz BPQWORWERXKSLL-YNEHKIRRSA-N 2 1 231.343 2.142 20 0 BEADMP CC(C)C[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001307976782 995517456 /nfs/dbraw/zinc/51/74/56/995517456.db2.gz YQXIVKBTTHMENG-MQYQWHSLSA-N 2 1 224.392 2.160 20 0 BEADMP CC(C)C[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001307976782 995517447 /nfs/dbraw/zinc/51/74/47/995517447.db2.gz YQXIVKBTTHMENG-MQYQWHSLSA-N 2 1 224.392 2.160 20 0 BEADMP CCC(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020523790 1170115434 /nfs/dbraw/zinc/11/54/34/1170115434.db2.gz HVMZTHQGGVSIKU-YOGCLGLASA-N 2 1 210.365 2.390 20 0 BEADMP CC(C)C[C@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001620483118 1170675592 /nfs/dbraw/zinc/67/55/92/1170675592.db2.gz DYCKRVVAAYYIBG-MJBXVCDLSA-N 2 1 224.392 2.305 20 0 BEADMP CC[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)[C@H]1C ZINC001621270274 1170758247 /nfs/dbraw/zinc/75/82/47/1170758247.db2.gz QYSAKBDPOZMOLB-JSGCOSHPSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@H]1C[C@@H]1C[N@H+]1CCC(C)(C)NC(C)(C)C1 ZINC001621570401 1170851276 /nfs/dbraw/zinc/85/12/76/1170851276.db2.gz SYDSHKHFCQSOOU-NWDGAFQWSA-N 2 1 224.392 2.495 20 0 BEADMP Cc1[nH]c2ccccc2c1C[N@@H+]1CCC[NH2+]CC1 ZINC000038087065 1171016277 /nfs/dbraw/zinc/01/62/77/1171016277.db2.gz AJCCYHPFBSDRMH-UHFFFAOYSA-N 2 1 243.354 2.272 20 0 BEADMP Cc1[nH]c2ccccc2c1C[N@H+]1CCC[NH2+]CC1 ZINC000038087065 1171016284 /nfs/dbraw/zinc/01/62/84/1171016284.db2.gz AJCCYHPFBSDRMH-UHFFFAOYSA-N 2 1 243.354 2.272 20 0 BEADMP CC[N@H+](Cc1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747428 1171152970 /nfs/dbraw/zinc/15/29/70/1171152970.db2.gz JKDAHHYMQJGELI-YIONKMFJSA-N 2 1 245.370 2.187 20 0 BEADMP CC[N@@H+](Cc1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747428 1171152975 /nfs/dbraw/zinc/15/29/75/1171152975.db2.gz JKDAHHYMQJGELI-YIONKMFJSA-N 2 1 245.370 2.187 20 0 BEADMP CC[N@H+](Cc1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747452 1171153438 /nfs/dbraw/zinc/15/34/38/1171153438.db2.gz SXZVCOLJVUMMLM-NNQSOWQGSA-N 2 1 245.370 2.187 20 0 BEADMP CC[N@@H+](Cc1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747452 1171153440 /nfs/dbraw/zinc/15/34/40/1171153440.db2.gz SXZVCOLJVUMMLM-NNQSOWQGSA-N 2 1 245.370 2.187 20 0 BEADMP CC(C)c1[nH+]ccn1C[C@H]1CCC[NH2+]C1 ZINC000043472133 1171293824 /nfs/dbraw/zinc/29/38/24/1171293824.db2.gz LJXNULZFPYQQRN-NSHDSACASA-N 2 1 207.321 2.006 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000044673828 1171404282 /nfs/dbraw/zinc/40/42/82/1171404282.db2.gz NCIGFVSIISIYDJ-CABCVRRESA-N 2 1 230.355 2.226 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+]CCC(C)C ZINC000045690075 1171457738 /nfs/dbraw/zinc/45/77/38/1171457738.db2.gz SQBKBUOCESNFCB-GFCCVEGCSA-N 2 1 200.370 2.352 20 0 BEADMP C[C@@H]1C[C@@H](C)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000051732100 1171912082 /nfs/dbraw/zinc/91/20/82/1171912082.db2.gz UWUDXSUCGTUOSV-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](C)C[C@@H]1C ZINC000548918499 398138697 /nfs/dbraw/zinc/13/86/97/398138697.db2.gz AWNOTSNGIQMCNR-STQMWFEESA-N 2 1 212.381 2.449 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C)C[C@H]1C ZINC000548918491 398138895 /nfs/dbraw/zinc/13/88/95/398138895.db2.gz AWNOTSNGIQMCNR-CHWSQXEVSA-N 2 1 212.381 2.449 20 0 BEADMP CC[N@H+](CC[NH2+][C@H](C)C(C)C)C(C)C ZINC000053376443 136209776 /nfs/dbraw/zinc/20/97/76/136209776.db2.gz SGSNDSWPRPCAAE-GFCCVEGCSA-N 2 1 200.370 2.351 20 0 BEADMP CC[N@@H+](CC[NH2+][C@H](C)C(C)C)C(C)C ZINC000053376443 136209777 /nfs/dbraw/zinc/20/97/77/136209777.db2.gz SGSNDSWPRPCAAE-GFCCVEGCSA-N 2 1 200.370 2.351 20 0 BEADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000083055513 349484863 /nfs/dbraw/zinc/48/48/63/349484863.db2.gz GNWFSRFGQZOYQH-BXUZGUMPSA-N 2 1 222.376 2.249 20 0 BEADMP COC1([C@H](C)[NH2+]C2CC[NH+](C)CC2)CCCC1 ZINC000421819540 398146655 /nfs/dbraw/zinc/14/66/55/398146655.db2.gz HPXXKDMXJJYQCA-LBPRGKRZSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1cccnc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000161861950 349507068 /nfs/dbraw/zinc/50/70/68/349507068.db2.gz DOZWGSVYOPDWKP-CYBMUJFWSA-N 2 1 235.375 2.195 20 0 BEADMP Cc1cccnc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000161861950 349507071 /nfs/dbraw/zinc/50/70/71/349507071.db2.gz DOZWGSVYOPDWKP-CYBMUJFWSA-N 2 1 235.375 2.195 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1Cl ZINC000336523597 178000737 /nfs/dbraw/zinc/00/07/37/178000737.db2.gz KRPXWRHRSCNZAL-LBPRGKRZSA-N 2 1 238.762 2.429 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1Cl ZINC000336523597 178000740 /nfs/dbraw/zinc/00/07/40/178000740.db2.gz KRPXWRHRSCNZAL-LBPRGKRZSA-N 2 1 238.762 2.429 20 0 BEADMP CC1(C)[C@@H]2C[N@H+](CCCC3CC[NH2+]CC3)C[C@@H]21 ZINC000379547960 398152786 /nfs/dbraw/zinc/15/27/86/398152786.db2.gz HXUWPPHEDKVUQJ-OKILXGFUSA-N 2 1 236.403 2.354 20 0 BEADMP FC1(F)C[C@]12CC[N@@H+](CCCn1ccnc1)C2 ZINC000649907412 398180303 /nfs/dbraw/zinc/18/03/03/398180303.db2.gz QUKVLMSAVHENCF-NSHDSACASA-N 2 1 241.285 2.004 20 0 BEADMP Cc1cccc(C)c1CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422943709 398160277 /nfs/dbraw/zinc/16/02/77/398160277.db2.gz RDHDVJUDBXXYEA-HOCLYGCPSA-N 2 1 246.398 2.434 20 0 BEADMP COCCC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415097782 398161787 /nfs/dbraw/zinc/16/17/87/398161787.db2.gz DLOKLWPKJAGIJT-GJZGRUSLSA-N 2 1 248.370 2.106 20 0 BEADMP C[C@H]([NH2+]CC[NH3+])c1cccc(-c2ccncc2)c1 ZINC000423174115 398164100 /nfs/dbraw/zinc/16/41/00/398164100.db2.gz BIIODBZVKBHHSM-LBPRGKRZSA-N 2 1 241.338 2.358 20 0 BEADMP Cc1cc(F)ccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193596572 178085884 /nfs/dbraw/zinc/08/58/84/178085884.db2.gz LYFNMQPKIRFJDK-OKILXGFUSA-N 2 1 248.345 2.128 20 0 BEADMP Cc1cc(F)ccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193596572 178085886 /nfs/dbraw/zinc/08/58/86/178085886.db2.gz LYFNMQPKIRFJDK-OKILXGFUSA-N 2 1 248.345 2.128 20 0 BEADMP Cc1cc(F)ccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193596572 178085887 /nfs/dbraw/zinc/08/58/87/178085887.db2.gz LYFNMQPKIRFJDK-OKILXGFUSA-N 2 1 248.345 2.128 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193596572 178085888 /nfs/dbraw/zinc/08/58/88/178085888.db2.gz LYFNMQPKIRFJDK-OKILXGFUSA-N 2 1 248.345 2.128 20 0 BEADMP Cc1cc(N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)nc(C)[nH+]1 ZINC000302570088 178102920 /nfs/dbraw/zinc/10/29/20/178102920.db2.gz YNNBETJQWJGVJP-AAEUAGOBSA-N 2 1 248.374 2.012 20 0 BEADMP Cc1cc(N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)nc(C)[nH+]1 ZINC000302570088 178102922 /nfs/dbraw/zinc/10/29/22/178102922.db2.gz YNNBETJQWJGVJP-AAEUAGOBSA-N 2 1 248.374 2.012 20 0 BEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000643496594 398205796 /nfs/dbraw/zinc/20/57/96/398205796.db2.gz BFFQBFCCDJHXFQ-SNVBAGLBSA-N 2 1 236.363 2.030 20 0 BEADMP C[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)CC(F)F ZINC000647800541 398206343 /nfs/dbraw/zinc/20/63/43/398206343.db2.gz FCSXYSFUIUSXOO-RKDXNWHRSA-N 2 1 243.301 2.436 20 0 BEADMP CCc1cc(NCC2=CC[N@H+](C)CC2)nc(C)[nH+]1 ZINC000272924240 538926613 /nfs/dbraw/zinc/92/66/13/538926613.db2.gz UEWYDKDVJJLLEE-UHFFFAOYSA-N 2 1 246.358 2.021 20 0 BEADMP CCc1cc(NCC2=CC[N@@H+](C)CC2)nc(C)[nH+]1 ZINC000272924240 538926615 /nfs/dbraw/zinc/92/66/15/538926615.db2.gz UEWYDKDVJJLLEE-UHFFFAOYSA-N 2 1 246.358 2.021 20 0 BEADMP Cc1cc(NC[C@H]2CCC[C@@H]([NH3+])C2)nc(C)[nH+]1 ZINC000227670481 178170373 /nfs/dbraw/zinc/17/03/73/178170373.db2.gz JYXOYVRLYRRJTK-NWDGAFQWSA-N 2 1 234.347 2.023 20 0 BEADMP CCC(CC)C[N@@H+](CC)CCC[NH2+]C ZINC000042488144 168348413 /nfs/dbraw/zinc/34/84/13/168348413.db2.gz JEVYHJHADDTBSJ-UHFFFAOYSA-N 2 1 200.370 2.354 20 0 BEADMP Cc1cc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc[nH+]1 ZINC000290737952 178191779 /nfs/dbraw/zinc/19/17/79/178191779.db2.gz GUKZSDXCUSNMJS-AAEUAGOBSA-N 2 1 231.343 2.427 20 0 BEADMP CCC(CC)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352535033 168353073 /nfs/dbraw/zinc/35/30/73/168353073.db2.gz LOPZVRZKSLDAJV-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP CC[C@@H](Cc1cccs1)[NH2+][C@H](C)C[NH3+] ZINC000643519430 398232001 /nfs/dbraw/zinc/23/20/01/398232001.db2.gz SPRJVBVPWHXFNW-ZJUUUORDSA-N 2 1 212.362 2.006 20 0 BEADMP CC(C)CCC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000165550688 136227350 /nfs/dbraw/zinc/22/73/50/136227350.db2.gz XNGQEQWZGPGUQW-UHFFFAOYSA-N 2 1 200.370 2.339 20 0 BEADMP Cc1cc([C@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)on1 ZINC000336523843 178266962 /nfs/dbraw/zinc/26/69/62/178266962.db2.gz FJWSQMOFZDUBCG-CHWSQXEVSA-N 2 1 249.358 2.120 20 0 BEADMP Cc1cc([C@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)on1 ZINC000336523843 178266963 /nfs/dbraw/zinc/26/69/63/178266963.db2.gz FJWSQMOFZDUBCG-CHWSQXEVSA-N 2 1 249.358 2.120 20 0 BEADMP CC(C)[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000381557407 398262445 /nfs/dbraw/zinc/26/24/45/398262445.db2.gz PQUNDEAOHVCBCY-GFCCVEGCSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)(C)CC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000381594232 398265258 /nfs/dbraw/zinc/26/52/58/398265258.db2.gz KWDZMNXDFXDITP-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)(C)CC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000381594232 398265263 /nfs/dbraw/zinc/26/52/63/398265263.db2.gz KWDZMNXDFXDITP-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP C1CC1[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000348109802 136234345 /nfs/dbraw/zinc/23/43/45/136234345.db2.gz ZITBKZLCCIZSGY-KBXIAJHMSA-N 2 1 234.387 2.391 20 0 BEADMP C[NH+](C)C1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000172189505 346852927 /nfs/dbraw/zinc/85/29/27/346852927.db2.gz UUXZVKDFMGXJEI-ZDUSSCGKSA-N 2 1 208.349 2.121 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2CCC23CCCC3)CC1 ZINC000189045749 346856250 /nfs/dbraw/zinc/85/62/50/346856250.db2.gz UWBDSZXJRAUISI-ZDUSSCGKSA-N 2 1 222.376 2.393 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCC(C)C)C1 ZINC000165428792 361840446 /nfs/dbraw/zinc/84/04/46/361840446.db2.gz QGKRRZMQHPDMKR-ZDUSSCGKSA-N 2 1 212.381 2.354 20 0 BEADMP c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868649 398286301 /nfs/dbraw/zinc/28/63/01/398286301.db2.gz QFWSRKSYZUNQFS-LSDHHAIUSA-N 2 1 230.355 2.403 20 0 BEADMP CC(C)=CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000188455933 538978856 /nfs/dbraw/zinc/97/88/56/538978856.db2.gz KNSGBVISOHONSM-CHWSQXEVSA-N 2 1 208.349 2.169 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CC[C@H](C)NC2)C1 ZINC000062948545 539017318 /nfs/dbraw/zinc/01/73/18/539017318.db2.gz HPAUANATDMMYES-RNJOBUHISA-N 2 1 210.365 2.105 20 0 BEADMP C[C@H]1CC[C@@H]([N@@H+](C)C2CCCCC2)CN1 ZINC000062948531 539017445 /nfs/dbraw/zinc/01/74/45/539017445.db2.gz CPSPBZDFXOPRSP-WCQYABFASA-N 2 1 210.365 2.391 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C)CCC2)[C@@H](C)C1 ZINC000222211761 259323312 /nfs/dbraw/zinc/32/33/12/259323312.db2.gz IFGIANBTQISFAK-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP CCCCC[C@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000053031687 1172010135 /nfs/dbraw/zinc/01/01/35/1172010135.db2.gz XMLFMZOGZSBSIG-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[C@@H](C)CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000625096965 342852014 /nfs/dbraw/zinc/85/20/14/342852014.db2.gz HSDDUOVEMFXCHE-MCIONIFRSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@H]1CCCC[C@H]1C[NH2+]CCc1c[nH+]cn1C ZINC000401646945 342866990 /nfs/dbraw/zinc/86/69/90/342866990.db2.gz MGKUIXGXOJKUJY-STQMWFEESA-N 2 1 235.375 2.379 20 0 BEADMP C[C@H]1CCCC[C@@H]1C[NH2+]CCc1c[nH+]cn1C ZINC000401646944 342867019 /nfs/dbraw/zinc/86/70/19/342867019.db2.gz MGKUIXGXOJKUJY-QWHCGFSZSA-N 2 1 235.375 2.379 20 0 BEADMP CCCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140801 342922077 /nfs/dbraw/zinc/92/20/77/342922077.db2.gz VVYHCWBMWHKPOG-UHFFFAOYSA-N 2 1 210.365 2.393 20 0 BEADMP CC[C@@H](C)C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000037173370 342923945 /nfs/dbraw/zinc/92/39/45/342923945.db2.gz KDMKVQKIAHBUEY-GFCCVEGCSA-N 2 1 212.381 2.354 20 0 BEADMP F[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000559916300 398331579 /nfs/dbraw/zinc/33/15/79/398331579.db2.gz TUNDDQIWFRCZHI-UONOGXRCSA-N 2 1 240.366 2.341 20 0 BEADMP CCC[C@@H](C)[NH2+]CC[N@H+](CC)C(C)C ZINC000053376299 346888117 /nfs/dbraw/zinc/88/81/17/346888117.db2.gz CEYXEOOJMCJFCO-GFCCVEGCSA-N 2 1 200.370 2.495 20 0 BEADMP CCC[C@@H](C)[NH2+]CC[N@@H+](CC)C(C)C ZINC000053376299 346888118 /nfs/dbraw/zinc/88/81/18/346888118.db2.gz CEYXEOOJMCJFCO-GFCCVEGCSA-N 2 1 200.370 2.495 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000228074329 398340868 /nfs/dbraw/zinc/34/08/68/398340868.db2.gz VYKQNWNZIKLTBF-OCCSQVGLSA-N 2 1 218.344 2.164 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000228074348 398340878 /nfs/dbraw/zinc/34/08/78/398340878.db2.gz VYKQNWNZIKLTBF-TZMCWYRMSA-N 2 1 218.344 2.164 20 0 BEADMP CCCc1ccc([C@H](C)[NH2+]CCN)cc1 ZINC000037712521 342943764 /nfs/dbraw/zinc/94/37/64/342943764.db2.gz NFJFNTOSYLZIQU-NSHDSACASA-N 2 1 206.333 2.248 20 0 BEADMP CCCc1ccc([C@H](C)[NH2+]CC[NH3+])cc1 ZINC000037712521 342943766 /nfs/dbraw/zinc/94/37/66/342943766.db2.gz NFJFNTOSYLZIQU-NSHDSACASA-N 2 1 206.333 2.248 20 0 BEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000580311446 346891251 /nfs/dbraw/zinc/89/12/51/346891251.db2.gz KFPHHAAYBMACIL-NSHDSACASA-N 2 1 210.321 2.238 20 0 BEADMP CC[C@H](C)[NH2+]C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000053486424 346901782 /nfs/dbraw/zinc/90/17/82/346901782.db2.gz VPTWHJVNVGHCGO-AVGNSLFASA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[NH2+]C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000053486424 346901786 /nfs/dbraw/zinc/90/17/86/346901786.db2.gz VPTWHJVNVGHCGO-AVGNSLFASA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000053486418 346902376 /nfs/dbraw/zinc/90/23/76/346902376.db2.gz VPTWHJVNVGHCGO-RWMBFGLXSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[NH2+]C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000053486418 346902380 /nfs/dbraw/zinc/90/23/80/346902380.db2.gz VPTWHJVNVGHCGO-RWMBFGLXSA-N 2 1 212.381 2.495 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H](C)F)[C@@H](C)C1 ZINC000351852915 136257873 /nfs/dbraw/zinc/25/78/73/136257873.db2.gz AZTGJKZVZIHOEC-AVGNSLFASA-N 2 1 230.371 2.397 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H](C)F)[C@@H](C)C1 ZINC000351852915 136257874 /nfs/dbraw/zinc/25/78/74/136257874.db2.gz AZTGJKZVZIHOEC-AVGNSLFASA-N 2 1 230.371 2.397 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H](C)F)[C@@H](C)C1 ZINC000351852915 136257875 /nfs/dbraw/zinc/25/78/75/136257875.db2.gz AZTGJKZVZIHOEC-AVGNSLFASA-N 2 1 230.371 2.397 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccncc2)CC1 ZINC000020121034 342969707 /nfs/dbraw/zinc/96/97/07/342969707.db2.gz DEADMMXTYIKYPA-GFCCVEGCSA-N 2 1 233.359 2.217 20 0 BEADMP Fc1cccc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000020128922 342970454 /nfs/dbraw/zinc/97/04/54/342970454.db2.gz FBEFHPXENYVCAX-UHFFFAOYSA-N 2 1 236.334 2.401 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000351856984 136257964 /nfs/dbraw/zinc/25/79/64/136257964.db2.gz AHWCYIIWZQIXEX-JVLSTEMRSA-N 2 1 248.345 2.482 20 0 BEADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(O)cc2)CC1 ZINC000020188921 342975892 /nfs/dbraw/zinc/97/58/92/342975892.db2.gz GKTFXBPXWYLGTJ-UHFFFAOYSA-N 2 1 248.370 2.355 20 0 BEADMP Cc1nccn1C[C@H]1CCC[N@@H+]1CC[C@@H](C)F ZINC000351868684 136258708 /nfs/dbraw/zinc/25/87/08/136258708.db2.gz GJEBGUAIJWIEBV-DGCLKSJQSA-N 2 1 239.338 2.404 20 0 BEADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)ccc1C ZINC000261782248 536749259 /nfs/dbraw/zinc/74/92/59/536749259.db2.gz FOQOHDMNSYFFBO-AWEZNQCLSA-N 2 1 248.370 2.174 20 0 BEADMP CC(C)[C@@H](C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000125525667 167380878 /nfs/dbraw/zinc/38/08/78/167380878.db2.gz MMZDYVMYPSYFCZ-GFCCVEGCSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C ZINC000211967284 343017423 /nfs/dbraw/zinc/01/74/23/343017423.db2.gz RSSAORPTRDZZSI-BETUJISGSA-N 2 1 244.382 2.420 20 0 BEADMP C[C@H](F)CC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000351875404 136261064 /nfs/dbraw/zinc/26/10/64/136261064.db2.gz LPONVKOGHCQZDG-WDEREUQCSA-N 2 1 225.311 2.337 20 0 BEADMP CCc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)s1 ZINC000126775306 343171580 /nfs/dbraw/zinc/17/15/80/343171580.db2.gz ZVZJRIJMNSQSRI-QWRGUYRKSA-N 2 1 238.400 2.480 20 0 BEADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC1CCCC1 ZINC000082492424 136276706 /nfs/dbraw/zinc/27/67/06/136276706.db2.gz BUKQTFOEZZWWCK-CYBMUJFWSA-N 2 1 224.392 2.498 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000634687522 343241837 /nfs/dbraw/zinc/24/18/37/343241837.db2.gz OGXOUMMLBWIDLU-LBPRGKRZSA-N 2 1 241.338 2.015 20 0 BEADMP Cc1cc(F)ccc1C[NH2+]CCc1c[nH+]cn1C ZINC000401786852 343242104 /nfs/dbraw/zinc/24/21/04/343242104.db2.gz UIVUVHHRGRCZIK-UHFFFAOYSA-N 2 1 247.317 2.200 20 0 BEADMP Cc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cn1 ZINC000231341354 136279100 /nfs/dbraw/zinc/27/91/00/136279100.db2.gz XVZXMBJVCPCSMD-UHFFFAOYSA-N 2 1 235.375 2.210 20 0 BEADMP Cc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cn1 ZINC000231341354 136279101 /nfs/dbraw/zinc/27/91/01/136279101.db2.gz XVZXMBJVCPCSMD-UHFFFAOYSA-N 2 1 235.375 2.210 20 0 BEADMP Cc1ccoc1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000335608971 136298567 /nfs/dbraw/zinc/29/85/67/136298567.db2.gz FDABYPHFOOCINJ-JQWIXIFHSA-N 2 1 222.332 2.066 20 0 BEADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@H](C)C1C[NH2+]C1 ZINC000335600184 136295028 /nfs/dbraw/zinc/29/50/28/136295028.db2.gz VRWLPBYAHBNPIP-BXUZGUMPSA-N 2 1 246.354 2.016 20 0 BEADMP CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)C(C)(C)C ZINC000584061421 343309942 /nfs/dbraw/zinc/30/99/42/343309942.db2.gz KUHSWGITAFUXMT-CHWSQXEVSA-N 2 1 244.423 2.103 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](C)C2)C1 ZINC000070643329 343337954 /nfs/dbraw/zinc/33/79/54/343337954.db2.gz OKIIXYJIHKVQRS-YNEHKIRRSA-N 2 1 210.365 2.106 20 0 BEADMP COCc1ccccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000037762601 343354271 /nfs/dbraw/zinc/35/42/71/343354271.db2.gz QJNLPNVFCSUMIB-UHFFFAOYSA-N 2 1 248.370 2.017 20 0 BEADMP C[C@H]1CCC[N@H+]1CC[C@H]1CCCC[NH+]1C ZINC000335698429 136327964 /nfs/dbraw/zinc/32/79/64/136327964.db2.gz NYVUYONZBKVEBD-QWHCGFSZSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@H]1CCC[NH+]1CC[C@H]1CCCC[N@@H+]1C ZINC000335698429 136327965 /nfs/dbraw/zinc/32/79/65/136327965.db2.gz NYVUYONZBKVEBD-QWHCGFSZSA-N 2 1 210.365 2.345 20 0 BEADMP C[C@H]1CCC[NH+]1CC[C@H]1CCCC[N@H+]1C ZINC000335698429 136327966 /nfs/dbraw/zinc/32/79/66/136327966.db2.gz NYVUYONZBKVEBD-QWHCGFSZSA-N 2 1 210.365 2.345 20 0 BEADMP CCc1ccc(CC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000041259819 343417611 /nfs/dbraw/zinc/41/76/11/343417611.db2.gz PXVNMRHDDMHZCI-UHFFFAOYSA-N 2 1 232.371 2.087 20 0 BEADMP CCc1ccc(CC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000041259819 343417614 /nfs/dbraw/zinc/41/76/14/343417614.db2.gz PXVNMRHDDMHZCI-UHFFFAOYSA-N 2 1 232.371 2.087 20 0 BEADMP CC[C@H]1CCC[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000394501531 259360455 /nfs/dbraw/zinc/36/04/55/259360455.db2.gz BHVMEHSVEQMXNE-LJISPDSOSA-N 2 1 236.403 2.354 20 0 BEADMP CC(C)(C)[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000166299448 136331890 /nfs/dbraw/zinc/33/18/90/136331890.db2.gz HCTCUBLMJXWPCU-GXTWGEPZSA-N 2 1 224.392 2.354 20 0 BEADMP CC(C)C[C@@H](C)C[N@H+]1CCN2CCC1CC2 ZINC000349293028 136337081 /nfs/dbraw/zinc/33/70/81/136337081.db2.gz DEXQASICMFDGKM-CYBMUJFWSA-N 2 1 224.392 2.449 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1ccc(Cl)cc1 ZINC000042437687 343437970 /nfs/dbraw/zinc/43/79/70/343437970.db2.gz BBEHILRGQJNYCO-UHFFFAOYSA-N 2 1 212.724 2.121 20 0 BEADMP CC(C)OC1CC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000349351128 136342726 /nfs/dbraw/zinc/34/27/26/136342726.db2.gz FCBGWSRJXZPIAM-FEPKRQSRSA-N 2 1 240.391 2.015 20 0 BEADMP CC(C)OC1CC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000349351128 136342727 /nfs/dbraw/zinc/34/27/27/136342727.db2.gz FCBGWSRJXZPIAM-FEPKRQSRSA-N 2 1 240.391 2.015 20 0 BEADMP CSCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247974716 136373548 /nfs/dbraw/zinc/37/35/48/136373548.db2.gz HQCHMDAGYCLRQX-QWHCGFSZSA-N 2 1 242.432 2.156 20 0 BEADMP CSCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247974716 136373549 /nfs/dbraw/zinc/37/35/49/136373549.db2.gz HQCHMDAGYCLRQX-QWHCGFSZSA-N 2 1 242.432 2.156 20 0 BEADMP CSCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247974716 136373550 /nfs/dbraw/zinc/37/35/50/136373550.db2.gz HQCHMDAGYCLRQX-QWHCGFSZSA-N 2 1 242.432 2.156 20 0 BEADMP CC[C@@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C1CC1 ZINC000308963439 346944076 /nfs/dbraw/zinc/94/40/76/346944076.db2.gz SXGRXHHJMMJVJI-DGCLKSJQSA-N 2 1 212.381 2.493 20 0 BEADMP CC[C@@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1CC1 ZINC000308963439 346944079 /nfs/dbraw/zinc/94/40/79/346944079.db2.gz SXGRXHHJMMJVJI-DGCLKSJQSA-N 2 1 212.381 2.493 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](CCC2CCC2)C[C@@H]1C[NH3+] ZINC000398899098 488225634 /nfs/dbraw/zinc/22/56/34/488225634.db2.gz HDQKYRDYWUNLJW-DYEKYZERSA-N 2 1 224.392 2.482 20 0 BEADMP CSCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000602952432 349828996 /nfs/dbraw/zinc/82/89/96/349828996.db2.gz UXEXMZPAOPXVCG-UHFFFAOYSA-N 2 1 242.432 2.300 20 0 BEADMP CC[N@@H+](CCC[NH2+]C1CCCCC1)CCOC ZINC000053499748 1172035015 /nfs/dbraw/zinc/03/50/15/1172035015.db2.gz FGYSBOUSYOXLAK-UHFFFAOYSA-N 2 1 242.407 2.267 20 0 BEADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000336396567 537805962 /nfs/dbraw/zinc/80/59/62/537805962.db2.gz CVAFIILUMNSYRV-SWLSCSKDSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000336396567 537805968 /nfs/dbraw/zinc/80/59/68/537805968.db2.gz CVAFIILUMNSYRV-SWLSCSKDSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cn1 ZINC000336396567 537805977 /nfs/dbraw/zinc/80/59/77/537805977.db2.gz CVAFIILUMNSYRV-SWLSCSKDSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cn1 ZINC000336396567 537805981 /nfs/dbraw/zinc/80/59/81/537805981.db2.gz CVAFIILUMNSYRV-SWLSCSKDSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000336396569 537806151 /nfs/dbraw/zinc/80/61/51/537806151.db2.gz CVAFIILUMNSYRV-WFASDCNBSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000336396569 537806155 /nfs/dbraw/zinc/80/61/55/537806155.db2.gz CVAFIILUMNSYRV-WFASDCNBSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cn1 ZINC000336396569 537806163 /nfs/dbraw/zinc/80/61/63/537806163.db2.gz CVAFIILUMNSYRV-WFASDCNBSA-N 2 1 247.386 2.162 20 0 BEADMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cn1 ZINC000336396569 537806168 /nfs/dbraw/zinc/80/61/68/537806168.db2.gz CVAFIILUMNSYRV-WFASDCNBSA-N 2 1 247.386 2.162 20 0 BEADMP CCOc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000020521653 343773333 /nfs/dbraw/zinc/77/33/33/343773333.db2.gz VYAFGMJUYVSISF-UHFFFAOYSA-N 2 1 234.343 2.008 20 0 BEADMP Cc1ccc(C)c(C[NH2+]CCc2c[nH+]cn2C)c1 ZINC000401845197 343777580 /nfs/dbraw/zinc/77/75/80/343777580.db2.gz QAOZNOLZVCMSAN-UHFFFAOYSA-N 2 1 243.354 2.369 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c(C)c1 ZINC000044527747 343781293 /nfs/dbraw/zinc/78/12/93/343781293.db2.gz BQWKCBZTLUAYJR-AWEZNQCLSA-N 2 1 232.371 2.474 20 0 BEADMP C[C@H](CC[N@@H+]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000050228108 343782711 /nfs/dbraw/zinc/78/27/11/343782711.db2.gz MBRVMRWXSCNZFB-OCCSQVGLSA-N 2 1 218.344 2.213 20 0 BEADMP C[C@H](CC[N@H+]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000050228108 343782713 /nfs/dbraw/zinc/78/27/13/343782713.db2.gz MBRVMRWXSCNZFB-OCCSQVGLSA-N 2 1 218.344 2.213 20 0 BEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336675101 537824251 /nfs/dbraw/zinc/82/42/51/537824251.db2.gz PFUNSVUHENBLLX-XUXIUFHCSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336675101 537824259 /nfs/dbraw/zinc/82/42/59/537824259.db2.gz PFUNSVUHENBLLX-XUXIUFHCSA-N 2 1 224.392 2.493 20 0 BEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000621777905 343903398 /nfs/dbraw/zinc/90/33/98/343903398.db2.gz IOPNTWHDPAVJLJ-CVEARBPZSA-N 2 1 244.382 2.432 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccccc1Cl ZINC000401875882 343925776 /nfs/dbraw/zinc/92/57/76/343925776.db2.gz NJOZVEDKGMDPTN-UHFFFAOYSA-N 2 1 249.745 2.406 20 0 BEADMP CCC[C@@H](C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1)OC ZINC000395209463 362348128 /nfs/dbraw/zinc/34/81/28/362348128.db2.gz UYAVHCMSMASGMU-KGLIPLIRSA-N 2 1 242.407 2.121 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@H]2CC3CCC2CC3)CC1 ZINC000400022727 344229870 /nfs/dbraw/zinc/22/98/70/344229870.db2.gz NYCZRACTHQSWLH-JXQTWKCFSA-N 2 1 236.403 2.497 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000336762909 537843465 /nfs/dbraw/zinc/84/34/65/537843465.db2.gz OHRHTDPGDUTXQP-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000133306317 344317848 /nfs/dbraw/zinc/31/78/48/344317848.db2.gz YEMUEODYKFDVIA-RYUDHWBXSA-N 2 1 200.370 2.338 20 0 BEADMP C[C@@H]1C[C@@H](N)C[N@H+]1CCCCC1CCOCC1 ZINC000385204669 344376684 /nfs/dbraw/zinc/37/66/84/344376684.db2.gz CABAKJKJDDDKEM-TZMCWYRMSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCCCC1CCOCC1 ZINC000385204669 344376685 /nfs/dbraw/zinc/37/66/85/344376685.db2.gz CABAKJKJDDDKEM-TZMCWYRMSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCCCC1CCOCC1 ZINC000385204669 344376687 /nfs/dbraw/zinc/37/66/87/344376687.db2.gz CABAKJKJDDDKEM-TZMCWYRMSA-N 2 1 240.391 2.005 20 0 BEADMP CC[C@@H](C)C[N@H+](C)CC[NH2+]C(C)(C)C ZINC000042302602 344450322 /nfs/dbraw/zinc/45/03/22/344450322.db2.gz YPLHYDAFMOQWLO-LLVKDONJSA-N 2 1 200.370 2.352 20 0 BEADMP CC[C@@H](C)C[N@@H+](C)CC[NH2+]C(C)(C)C ZINC000042302602 344450324 /nfs/dbraw/zinc/45/03/24/344450324.db2.gz YPLHYDAFMOQWLO-LLVKDONJSA-N 2 1 200.370 2.352 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)C1CCC1 ZINC000336762910 537845818 /nfs/dbraw/zinc/84/58/18/537845818.db2.gz OHRHTDPGDUTXQP-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP C(CC1CCCCC1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000043327112 344488812 /nfs/dbraw/zinc/48/88/12/344488812.db2.gz SIHJSYOHQLVKBK-ZDUSSCGKSA-N 2 1 210.365 2.298 20 0 BEADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000569616291 344683208 /nfs/dbraw/zinc/68/32/08/344683208.db2.gz QRIDRUZBTQCGNC-AEGPPILISA-N 2 1 236.403 2.495 20 0 BEADMP CSC[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000399997683 344748820 /nfs/dbraw/zinc/74/88/20/344748820.db2.gz LJDNHOMCPUFNNE-CHWSQXEVSA-N 2 1 242.432 2.204 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@H](C)C1 ZINC000380182146 344707318 /nfs/dbraw/zinc/70/73/18/344707318.db2.gz GFJVJBADYYYHHX-AVGNSLFASA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@H](C)C1 ZINC000380182146 344707320 /nfs/dbraw/zinc/70/73/20/344707320.db2.gz GFJVJBADYYYHHX-AVGNSLFASA-N 2 1 212.381 2.493 20 0 BEADMP CCc1cc(N[C@@H](C)C[N@@H+](C)C(C)C)ncn1 ZINC000383984593 537857303 /nfs/dbraw/zinc/85/73/03/537857303.db2.gz DRXSXNXTPHKCJM-NSHDSACASA-N 2 1 236.363 2.180 20 0 BEADMP CC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000039102033 344849965 /nfs/dbraw/zinc/84/99/65/344849965.db2.gz OXJYWERKFNGMGY-KGLIPLIRSA-N 2 1 218.344 2.246 20 0 BEADMP Cc1ccsc1C[NH2+]CCC[NH+]1CCC1 ZINC000583391327 344876875 /nfs/dbraw/zinc/87/68/75/344876875.db2.gz RJTLKBXCCOQCRS-UHFFFAOYSA-N 2 1 224.373 2.242 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCCS1)[C@@H]1CCCC[NH2+]1 ZINC000386588908 344924809 /nfs/dbraw/zinc/92/48/09/344924809.db2.gz QUWKHNBHAHUXKQ-TUAOUCFPSA-N 2 1 228.405 2.002 20 0 BEADMP Cc1ccc([C@@H](C)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000628191882 344946357 /nfs/dbraw/zinc/94/63/57/344946357.db2.gz YGSYAXSUPOHCLI-CWRNSKLLSA-N 2 1 244.382 2.250 20 0 BEADMP FC(F)(F)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000156094249 345122104 /nfs/dbraw/zinc/12/21/04/345122104.db2.gz RZFHHEKWLBLFOH-ZJUUUORDSA-N 2 1 236.281 2.155 20 0 BEADMP CC(C)[C@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000319044190 259382622 /nfs/dbraw/zinc/38/26/22/259382622.db2.gz USANLOIWUVGKLJ-RYUDHWBXSA-N 2 1 212.381 2.399 20 0 BEADMP C[C@H]1CCC[C@H](C)[N@H+](CC23CC(C2)CN3)C1 ZINC000634992895 345187930 /nfs/dbraw/zinc/18/79/30/345187930.db2.gz FJNCTIAMIQHXCL-FEPKRQSRSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@H]1CCC[C@H](C)[N@@H+](CC23CC(C2)CN3)C1 ZINC000634992895 345187932 /nfs/dbraw/zinc/18/79/32/345187932.db2.gz FJNCTIAMIQHXCL-FEPKRQSRSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@H](C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000634998517 345198485 /nfs/dbraw/zinc/19/84/85/345198485.db2.gz GRUJHXNJCMVDAF-UMVBOHGHSA-N 2 1 232.371 2.317 20 0 BEADMP C[C@H](Cc1ccccc1)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999617 345200652 /nfs/dbraw/zinc/20/06/52/345200652.db2.gz WZXDXGJGOXAFRM-YCPHGPKFSA-N 2 1 246.398 2.392 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000634999735 345200662 /nfs/dbraw/zinc/20/06/62/345200662.db2.gz YKJLQUOWKUPZSJ-YIYPIFLZSA-N 2 1 224.392 2.339 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCCC12CC2)c1c[nH+]ccc1N ZINC000635003712 345206985 /nfs/dbraw/zinc/20/69/85/345206985.db2.gz KNYWFXHEFJFORP-ZWNOBZJWSA-N 2 1 231.343 2.477 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]CCc2cccc(C)c2)C1 ZINC000449089289 201806684 /nfs/dbraw/zinc/80/66/84/201806684.db2.gz JSYONNPVYLXHHP-INIZCTEOSA-N 2 1 246.398 2.469 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)C1CCC1 ZINC000132401732 345329876 /nfs/dbraw/zinc/32/98/76/345329876.db2.gz PCFDYXAUDCLCGS-FPMFFAJLSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)C1CCC1 ZINC000132401732 345329878 /nfs/dbraw/zinc/32/98/78/345329878.db2.gz PCFDYXAUDCLCGS-FPMFFAJLSA-N 2 1 222.376 2.391 20 0 BEADMP CCOC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000159172503 345413512 /nfs/dbraw/zinc/41/35/12/345413512.db2.gz YATGETYOJXOGMW-YNEHKIRRSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CC2(C)CC2)C1 ZINC000380295990 345469835 /nfs/dbraw/zinc/46/98/35/345469835.db2.gz CRWGXPQTHBWECT-GFCCVEGCSA-N 2 1 210.365 2.106 20 0 BEADMP CC1CCC([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000089555127 345560784 /nfs/dbraw/zinc/56/07/84/345560784.db2.gz QTHTYBOOMWTMBM-HHTDUIENSA-N 2 1 224.392 2.495 20 0 BEADMP CC1CCC([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000089555127 345560787 /nfs/dbraw/zinc/56/07/87/345560787.db2.gz QTHTYBOOMWTMBM-HHTDUIENSA-N 2 1 224.392 2.495 20 0 BEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CC1 ZINC000378801423 345576321 /nfs/dbraw/zinc/57/63/21/345576321.db2.gz ULJYWBSNIIWPBA-REWJHTLYSA-N 2 1 222.376 2.105 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCC(C)(F)F ZINC000390243274 259383437 /nfs/dbraw/zinc/38/34/37/259383437.db2.gz PEORAJNBMCRFOP-WDEREUQCSA-N 2 1 234.334 2.352 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCC(C)(F)F ZINC000390243268 259383728 /nfs/dbraw/zinc/38/37/28/259383728.db2.gz PEORAJNBMCRFOP-MNOVXSKESA-N 2 1 234.334 2.352 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCC(C)(F)F ZINC000390243270 259383813 /nfs/dbraw/zinc/38/38/13/259383813.db2.gz PEORAJNBMCRFOP-QWRGUYRKSA-N 2 1 234.334 2.352 20 0 BEADMP C[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000137675897 345685197 /nfs/dbraw/zinc/68/51/97/345685197.db2.gz KBOBVPBQYQBLRQ-ZDUSSCGKSA-N 2 1 210.365 2.204 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000224826144 345750373 /nfs/dbraw/zinc/75/03/73/345750373.db2.gz YOADTNPJWSPKEV-JQWIXIFHSA-N 2 1 222.332 2.083 20 0 BEADMP C[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000146473688 345713876 /nfs/dbraw/zinc/71/38/76/345713876.db2.gz JSFSIQWVRIGBLS-CHWSQXEVSA-N 2 1 210.365 2.060 20 0 BEADMP CCOC[C@H]1CC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000191803836 346064714 /nfs/dbraw/zinc/06/47/14/346064714.db2.gz STFGWMXFPZFRPY-AWEZNQCLSA-N 2 1 242.407 2.077 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](C)[C@H]2C)C1 ZINC000381498345 346156548 /nfs/dbraw/zinc/15/65/48/346156548.db2.gz CEISMJMZVDSYLE-SYQHCUMBSA-N 2 1 224.392 2.351 20 0 BEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccnc2ccccc12 ZINC000577079237 365808091 /nfs/dbraw/zinc/80/80/91/365808091.db2.gz IVAAPRNUIIXZHS-GHMZBOCLSA-N 2 1 229.327 2.060 20 0 BEADMP C[NH+](C)CCC[N@@H+](C)C[C@]1(C)CCCS1 ZINC000628277193 346286013 /nfs/dbraw/zinc/28/60/13/346286013.db2.gz GYRURWQGEWQLDM-LBPRGKRZSA-N 2 1 230.421 2.156 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)[C@@H]1C ZINC000669378553 537968859 /nfs/dbraw/zinc/96/88/59/537968859.db2.gz GODLHYWPBQHANE-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH+]1CCC([NH2+]CC2Cc3ccccc3C2)CC1 ZINC000577085278 365809708 /nfs/dbraw/zinc/80/97/08/365809708.db2.gz OAXSZQQEQJTQCY-UHFFFAOYSA-N 2 1 244.382 2.085 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1C ZINC000126889262 179079706 /nfs/dbraw/zinc/07/97/06/179079706.db2.gz ZFEKOWXRNGNBGA-UKRRQHHQSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000172197620 179079876 /nfs/dbraw/zinc/07/98/76/179079876.db2.gz RAERSHMHUOYUKT-HNNXBMFYSA-N 2 1 232.371 2.379 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1C ZINC000227054614 179080065 /nfs/dbraw/zinc/08/00/65/179080065.db2.gz NAHHXYBJRFSNQO-SWLSCSKDSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000049712993 179083172 /nfs/dbraw/zinc/08/31/72/179083172.db2.gz BHYVJULQJQUVOV-OCCSQVGLSA-N 2 1 218.344 2.164 20 0 BEADMP CCC(F)(F)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000641798174 362742653 /nfs/dbraw/zinc/74/26/53/362742653.db2.gz IFEQMKPWFWPSFI-VXGBXAGGSA-N 2 1 246.345 2.353 20 0 BEADMP CCC(F)(F)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000641798174 362742661 /nfs/dbraw/zinc/74/26/61/362742661.db2.gz IFEQMKPWFWPSFI-VXGBXAGGSA-N 2 1 246.345 2.353 20 0 BEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccc(N)c2)[C@H]1C ZINC000641808876 362762939 /nfs/dbraw/zinc/76/29/39/362762939.db2.gz ONGKITOQIXEZCF-TYNCELHUSA-N 2 1 247.386 2.217 20 0 BEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccc(N)c2)[C@H]1C ZINC000641808876 362762946 /nfs/dbraw/zinc/76/29/46/362762946.db2.gz ONGKITOQIXEZCF-TYNCELHUSA-N 2 1 247.386 2.217 20 0 BEADMP CC1(C)c2ccccc2CC[N@@H+]1CCC[NH3+] ZINC000641801726 362756683 /nfs/dbraw/zinc/75/66/83/362756683.db2.gz UESIHHUPWWOBKY-UHFFFAOYSA-N 2 1 218.344 2.129 20 0 BEADMP Cc1cccc(N2CC[C@@H](C[NH+]3CCCC3)C2)[nH+]1 ZINC000292954401 179122761 /nfs/dbraw/zinc/12/27/61/179122761.db2.gz CEQCJAGQWYTKKN-AWEZNQCLSA-N 2 1 245.370 2.312 20 0 BEADMP COC[C@@H](C)C[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000187614083 346590375 /nfs/dbraw/zinc/59/03/75/346590375.db2.gz BKIJOQUXZWJXCY-ZDUSSCGKSA-N 2 1 242.407 2.123 20 0 BEADMP CSC1CC[NH+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000300870451 346614073 /nfs/dbraw/zinc/61/40/73/346614073.db2.gz QOZFZHFPMZSVKY-NSHDSACASA-N 2 1 230.421 2.187 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000300414166 346669413 /nfs/dbraw/zinc/66/94/13/346669413.db2.gz IOKHAGJBIWOBEY-BTTYYORXSA-N 2 1 242.407 2.262 20 0 BEADMP CC[C@H](C)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000580211795 346685349 /nfs/dbraw/zinc/68/53/49/346685349.db2.gz JRYRTROLTPEAIO-QWRGUYRKSA-N 2 1 207.321 2.008 20 0 BEADMP Cc1cccc(NCCNc2cc[nH+]cc2C)[nH+]1 ZINC000359482982 179145425 /nfs/dbraw/zinc/14/54/25/179145425.db2.gz NIQRLQXIRYKFFT-UHFFFAOYSA-N 2 1 242.326 2.039 20 0 BEADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000251201747 179180253 /nfs/dbraw/zinc/18/02/53/179180253.db2.gz UQMWVBRNPKQUTF-OLZOCXBDSA-N 2 1 218.344 2.337 20 0 BEADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@@H](C)[NH3+])c1 ZINC000336405990 179203822 /nfs/dbraw/zinc/20/38/22/179203822.db2.gz KKCMPZMCZFJCRF-TZMCWYRMSA-N 2 1 218.344 2.479 20 0 BEADMP Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H](C)[NH3+])c1 ZINC000336405990 179203826 /nfs/dbraw/zinc/20/38/26/179203826.db2.gz KKCMPZMCZFJCRF-TZMCWYRMSA-N 2 1 218.344 2.479 20 0 BEADMP Cc1ncccc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000311073678 347351373 /nfs/dbraw/zinc/35/13/73/347351373.db2.gz MHEVNDIKBGQVKW-CQSZACIVSA-N 2 1 247.386 2.210 20 0 BEADMP Cc1ncccc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000311073678 347351378 /nfs/dbraw/zinc/35/13/78/347351378.db2.gz MHEVNDIKBGQVKW-CQSZACIVSA-N 2 1 247.386 2.210 20 0 BEADMP C[C@@H](CC[N@H+](C)CCN)c1ccccc1 ZINC000054417259 347875861 /nfs/dbraw/zinc/87/58/61/347875861.db2.gz KMYCQXNRVJJXJJ-LBPRGKRZSA-N 2 1 206.333 2.071 20 0 BEADMP C[C@@H](CC[N@@H+](C)CCN)c1ccccc1 ZINC000054417259 347875862 /nfs/dbraw/zinc/87/58/62/347875862.db2.gz KMYCQXNRVJJXJJ-LBPRGKRZSA-N 2 1 206.333 2.071 20 0 BEADMP C[C@@H](CC[N@H+](C)CC[NH3+])c1ccccc1 ZINC000054417259 347875863 /nfs/dbraw/zinc/87/58/63/347875863.db2.gz KMYCQXNRVJJXJJ-LBPRGKRZSA-N 2 1 206.333 2.071 20 0 BEADMP C[C@@H](CC[N@@H+](C)CC[NH3+])c1ccccc1 ZINC000054417259 347875866 /nfs/dbraw/zinc/87/58/66/347875866.db2.gz KMYCQXNRVJJXJJ-LBPRGKRZSA-N 2 1 206.333 2.071 20 0 BEADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2noc3ccccc32)C1 ZINC000577388595 365942880 /nfs/dbraw/zinc/94/28/80/365942880.db2.gz LLSMCRQPISAVTH-WDEREUQCSA-N 2 1 245.326 2.187 20 0 BEADMP CC[C@H](C)[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000319604596 259399298 /nfs/dbraw/zinc/39/92/98/259399298.db2.gz WPSLGINHQLTJHZ-QJPTWQEYSA-N 2 1 200.370 2.384 20 0 BEADMP CC[C@H](C)[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000319604604 259399365 /nfs/dbraw/zinc/39/93/65/259399365.db2.gz WPSLGINHQLTJHZ-TUAOUCFPSA-N 2 1 200.370 2.384 20 0 BEADMP Cc1ccccc1[C@@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000357076466 179329051 /nfs/dbraw/zinc/32/90/51/179329051.db2.gz OXFOCOZUOQYWKB-HNNXBMFYSA-N 2 1 248.370 2.107 20 0 BEADMP CC[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000054466857 348020083 /nfs/dbraw/zinc/02/00/83/348020083.db2.gz HNSQLEUDVURXFO-ODWCKFRGSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOC(C)(C)C ZINC000308722981 323177305 /nfs/dbraw/zinc/17/73/05/323177305.db2.gz FBDIXWRTDBIDFR-JHJVBQTASA-N 2 1 242.407 2.120 20 0 BEADMP Cc1cccnc1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000296382286 179371434 /nfs/dbraw/zinc/37/14/34/179371434.db2.gz JQWKJMLGFQLPJP-KBPBESRZSA-N 2 1 247.386 2.005 20 0 BEADMP Cc1cc[nH+]c(N(C)CCC[NH+]2CCCC2)c1 ZINC000281989209 179426315 /nfs/dbraw/zinc/42/63/15/179426315.db2.gz VPICTQLASSEHRQ-UHFFFAOYSA-N 2 1 233.359 2.312 20 0 BEADMP COCCCC[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000419378087 192132626 /nfs/dbraw/zinc/13/26/26/192132626.db2.gz CONSYYJJANNYAH-UHFFFAOYSA-N 2 1 242.407 2.221 20 0 BEADMP CSCC1(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000596648916 348604456 /nfs/dbraw/zinc/60/44/56/348604456.db2.gz BEDKRMVTBSPVCF-NWDGAFQWSA-N 2 1 242.432 2.107 20 0 BEADMP CCSC1(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000596650799 348606156 /nfs/dbraw/zinc/60/61/56/348606156.db2.gz KRFNHVMVVPCSQI-NWDGAFQWSA-N 2 1 242.432 2.392 20 0 BEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCOC1 ZINC000070463750 490214721 /nfs/dbraw/zinc/21/47/21/490214721.db2.gz ADVDMASHOYPGNI-UONOGXRCSA-N 2 1 240.391 2.020 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCSC2)CC1(C)C ZINC000623510000 362935486 /nfs/dbraw/zinc/93/54/86/362935486.db2.gz BJPLQZVDMYWHDQ-VXGBXAGGSA-N 2 1 242.432 2.202 20 0 BEADMP CC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000421873256 192398147 /nfs/dbraw/zinc/39/81/47/192398147.db2.gz HHIUTPUKYSLNGT-REWJHTLYSA-N 2 1 224.392 2.495 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CSC2(C)C)CC1(C)C ZINC000623516295 362940565 /nfs/dbraw/zinc/94/05/65/362940565.db2.gz LVMNBSJQJPTDOK-WDEREUQCSA-N 2 1 242.432 2.343 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CSC2(C)C)CC1(C)C ZINC000623516294 362940773 /nfs/dbraw/zinc/94/07/73/362940773.db2.gz LVMNBSJQJPTDOK-QWRGUYRKSA-N 2 1 242.432 2.343 20 0 BEADMP Cc1sccc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000380982789 350106430 /nfs/dbraw/zinc/10/64/30/350106430.db2.gz IYNDMOQTYUKKRL-LBPRGKRZSA-N 2 1 238.400 2.488 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cccs1 ZINC000132115799 191025879 /nfs/dbraw/zinc/02/58/79/191025879.db2.gz TWTGHOCNHXNVQK-AAEUAGOBSA-N 2 1 238.400 2.220 20 0 BEADMP CC(C)Oc1ccccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422720294 192442915 /nfs/dbraw/zinc/44/29/15/192442915.db2.gz SHZNRYPGSJCMAD-LBPRGKRZSA-N 2 1 248.370 2.171 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304585678 350157774 /nfs/dbraw/zinc/15/77/74/350157774.db2.gz OSHFETMEHCKCDC-RQJABVFESA-N 2 1 224.392 2.495 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304531846 350161946 /nfs/dbraw/zinc/16/19/46/350161946.db2.gz HBHQISNRUMLMLV-IGQOVBAYSA-N 2 1 222.376 2.106 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304531852 350162539 /nfs/dbraw/zinc/16/25/39/350162539.db2.gz HBHQISNRUMLMLV-XJFOESAGSA-N 2 1 222.376 2.106 20 0 BEADMP C([NH2+]C1CCCCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000037408431 191069464 /nfs/dbraw/zinc/06/94/64/191069464.db2.gz GFESZKCNCXKDAE-GFCCVEGCSA-N 2 1 222.376 2.393 20 0 BEADMP Cc1nccc(NC[C@H]2CC[N@H+](CC(C)C)C2)n1 ZINC000130658386 180201842 /nfs/dbraw/zinc/20/18/42/180201842.db2.gz ZKTYFOWSCLRXBB-CYBMUJFWSA-N 2 1 248.374 2.175 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccnc1C ZINC000337948029 180220478 /nfs/dbraw/zinc/22/04/78/180220478.db2.gz HIEATMHTJDLZDV-UHFFFAOYSA-N 2 1 244.342 2.075 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1C ZINC000270601069 180239892 /nfs/dbraw/zinc/23/98/92/180239892.db2.gz GWXBLHMMBYJVKZ-NSHDSACASA-N 2 1 207.321 2.066 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1C ZINC000270601069 180239894 /nfs/dbraw/zinc/23/98/94/180239894.db2.gz GWXBLHMMBYJVKZ-NSHDSACASA-N 2 1 207.321 2.066 20 0 BEADMP Cc1ncccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000368367689 180222948 /nfs/dbraw/zinc/22/29/48/180222948.db2.gz UGDAYLXRJZRJAJ-CABCVRRESA-N 2 1 245.370 2.106 20 0 BEADMP Cc1ncccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368367689 180222950 /nfs/dbraw/zinc/22/29/50/180222950.db2.gz UGDAYLXRJZRJAJ-CABCVRRESA-N 2 1 245.370 2.106 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H]1CCC=CO1 ZINC000194476830 180234848 /nfs/dbraw/zinc/23/48/48/180234848.db2.gz CQNAOIFYLNVXCP-CQSZACIVSA-N 2 1 249.358 2.254 20 0 BEADMP Cc1nccn1CCCC[N@@H+]1C[C@H](C)[C@H]1C ZINC000339570158 180236069 /nfs/dbraw/zinc/23/60/69/180236069.db2.gz QKMLIGCVFMANJA-NWDGAFQWSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)[C@H]1C ZINC000339570158 180236071 /nfs/dbraw/zinc/23/60/71/180236071.db2.gz QKMLIGCVFMANJA-NWDGAFQWSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)[C@H]1C ZINC000339570158 180236074 /nfs/dbraw/zinc/23/60/74/180236074.db2.gz QKMLIGCVFMANJA-NWDGAFQWSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000336696829 180238560 /nfs/dbraw/zinc/23/85/60/180238560.db2.gz HEQVCIWNCYKOCS-NEPJUHHUSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)C[C@@H]1C ZINC000336696829 180238562 /nfs/dbraw/zinc/23/85/62/180238562.db2.gz HEQVCIWNCYKOCS-NEPJUHHUSA-N 2 1 221.348 2.312 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C)C1 ZINC000336706313 180238737 /nfs/dbraw/zinc/23/87/37/180238737.db2.gz RFHCONGPRSLGBP-GFCCVEGCSA-N 2 1 221.348 2.314 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C)C1 ZINC000336706313 180238739 /nfs/dbraw/zinc/23/87/39/180238739.db2.gz RFHCONGPRSLGBP-GFCCVEGCSA-N 2 1 221.348 2.314 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000336734060 180246742 /nfs/dbraw/zinc/24/67/42/180246742.db2.gz HAOANBPSJIRTKM-GMXVVIOVSA-N 2 1 221.348 2.216 20 0 BEADMP CSCCCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422753559 192454256 /nfs/dbraw/zinc/45/42/56/192454256.db2.gz IODGNXUUFLVPBV-SNVBAGLBSA-N 2 1 239.388 2.288 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1C1CC1 ZINC000371205475 180240412 /nfs/dbraw/zinc/24/04/12/180240412.db2.gz SIZCCAZJUPUCLP-CQSZACIVSA-N 2 1 233.359 2.456 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1C1CC1 ZINC000371205475 180240414 /nfs/dbraw/zinc/24/04/14/180240414.db2.gz SIZCCAZJUPUCLP-CQSZACIVSA-N 2 1 233.359 2.456 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H]1C ZINC000336782657 180243196 /nfs/dbraw/zinc/24/31/96/180243196.db2.gz YJPPBVXIRTUURZ-WCQYABFASA-N 2 1 221.348 2.360 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+]C1CCCC1 ZINC000048327107 180244610 /nfs/dbraw/zinc/24/46/10/180244610.db2.gz PLBPAHRQPVXEDA-UHFFFAOYSA-N 2 1 207.321 2.114 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC1(C)C ZINC000309717470 180245414 /nfs/dbraw/zinc/24/54/14/180245414.db2.gz UNYWBHOMPWUERG-GFCCVEGCSA-N 2 1 221.348 2.360 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]CCC(C)(C)C ZINC000053500412 180260568 /nfs/dbraw/zinc/26/05/68/180260568.db2.gz VFDXMQVSEXFZEZ-UHFFFAOYSA-N 2 1 209.337 2.217 20 0 BEADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000309360522 350352137 /nfs/dbraw/zinc/35/21/37/350352137.db2.gz OQWDVASQTXFJMZ-BNOWGMLFSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000309360522 350352138 /nfs/dbraw/zinc/35/21/38/350352138.db2.gz OQWDVASQTXFJMZ-BNOWGMLFSA-N 2 1 224.392 2.493 20 0 BEADMP Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc[nH+]1 ZINC000162812159 350438336 /nfs/dbraw/zinc/43/83/36/350438336.db2.gz POBXYQPNWNRYIN-ZIAGYGMSSA-N 2 1 231.343 2.429 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCOC2(C)C)CC1(C)C ZINC000623537451 362956828 /nfs/dbraw/zinc/95/68/28/362956828.db2.gz YKSCGTVDUBYYDO-NEPJUHHUSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623538882 362958038 /nfs/dbraw/zinc/95/80/38/362958038.db2.gz YJKFTNWRIBNSHD-FRRDWIJNSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300333417 490556911 /nfs/dbraw/zinc/55/69/11/490556911.db2.gz MJFNSLXGICIUJR-RNJOBUHISA-N 2 1 240.416 2.097 20 0 BEADMP CCCC[C@@H](COC)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000163276774 350514934 /nfs/dbraw/zinc/51/49/34/350514934.db2.gz TVZCUCTWOKOXMN-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC000054603352 1172129321 /nfs/dbraw/zinc/12/93/21/1172129321.db2.gz BFRRNUNNNSQYPI-VGPLMAKISA-N 2 1 208.349 2.144 20 0 BEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccccc1 ZINC000054603324 1172129986 /nfs/dbraw/zinc/12/99/86/1172129986.db2.gz QISYPVCTDYOBKY-MQVJKMGUSA-N 2 1 244.382 2.444 20 0 BEADMP C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)[C@H](C)[NH3+] ZINC000577482028 365964390 /nfs/dbraw/zinc/96/43/90/365964390.db2.gz QYLFJAZPGMANPI-DTWKUNHWSA-N 2 1 228.286 2.450 20 0 BEADMP CC[C@]1(C)CC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000399498856 323393911 /nfs/dbraw/zinc/39/39/11/323393911.db2.gz XDIIBABDEWAASW-MELADBBJSA-N 2 1 224.392 2.497 20 0 BEADMP CC1(C)CC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000336656660 350614798 /nfs/dbraw/zinc/61/47/98/350614798.db2.gz LQAQQZDOWKKFFV-YPMHNXCESA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@H]1CCCC[C@H]1C ZINC000346689622 365992268 /nfs/dbraw/zinc/99/22/68/365992268.db2.gz ZQPUSVQSLFJNHX-YIYPIFLZSA-N 2 1 224.392 2.482 20 0 BEADMP CO[C@@H](C)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000252710340 538099608 /nfs/dbraw/zinc/09/96/08/538099608.db2.gz GIZQIIJFNMEMBH-WSOGJNRSSA-N 2 1 240.391 2.015 20 0 BEADMP CO[C@@H](C)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000252710340 538099612 /nfs/dbraw/zinc/09/96/12/538099612.db2.gz GIZQIIJFNMEMBH-WSOGJNRSSA-N 2 1 240.391 2.015 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000394839629 350922422 /nfs/dbraw/zinc/92/24/22/350922422.db2.gz TWXGJKOMDVDABX-LXTVHRRPSA-N 2 1 236.403 2.497 20 0 BEADMP CC1CC(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623575805 363006512 /nfs/dbraw/zinc/00/65/12/363006512.db2.gz QIPKHWBKPQWSKR-WXRRBKDZSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H](c1ccncc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000607358472 351332451 /nfs/dbraw/zinc/33/24/51/351332451.db2.gz JHRNOFXYZIVSGH-UONOGXRCSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@@H](c1ccncc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000607358472 351332455 /nfs/dbraw/zinc/33/24/55/351332455.db2.gz JHRNOFXYZIVSGH-UONOGXRCSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@@H](c1ccncc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000607358472 351332459 /nfs/dbraw/zinc/33/24/59/351332459.db2.gz JHRNOFXYZIVSGH-UONOGXRCSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@@H](c1ccncc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000607358472 351332462 /nfs/dbraw/zinc/33/24/62/351332462.db2.gz JHRNOFXYZIVSGH-UONOGXRCSA-N 2 1 247.386 2.416 20 0 BEADMP CCC[C@@H](C[N@@H+](C)C1CCN(CC)CC1)OC ZINC000637887700 351755068 /nfs/dbraw/zinc/75/50/68/351755068.db2.gz XSCIMTXSPWIHAS-AWEZNQCLSA-N 2 1 242.407 2.218 20 0 BEADMP CCC[C@@H](C[N@H+](C)C1CC[NH+](CC)CC1)OC ZINC000637887700 351755073 /nfs/dbraw/zinc/75/50/73/351755073.db2.gz XSCIMTXSPWIHAS-AWEZNQCLSA-N 2 1 242.407 2.218 20 0 BEADMP CCC[C@@H](C[N@@H+](C)C1CC[NH+](CC)CC1)OC ZINC000637887700 351755076 /nfs/dbraw/zinc/75/50/76/351755076.db2.gz XSCIMTXSPWIHAS-AWEZNQCLSA-N 2 1 242.407 2.218 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@@H+](CC2CCSCC2)C1 ZINC000638075947 351948690 /nfs/dbraw/zinc/94/86/90/351948690.db2.gz HVOPTBASORZUOR-CYBMUJFWSA-N 2 1 242.432 2.013 20 0 BEADMP CCCC[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336738309 351984860 /nfs/dbraw/zinc/98/48/60/351984860.db2.gz RGSGHKRGJOPWON-GFCCVEGCSA-N 2 1 210.365 2.417 20 0 BEADMP CCc1nc(N[C@H](C)CC[NH+](C)C)cc(C)[nH+]1 ZINC000286470540 352090763 /nfs/dbraw/zinc/09/07/63/352090763.db2.gz YJVWTCFJNAQGNF-SNVBAGLBSA-N 2 1 236.363 2.100 20 0 BEADMP CO[C@H](C[NH2+]CCC[N@@H+](C)C(C)C)CC(C)C ZINC000638337016 352155048 /nfs/dbraw/zinc/15/50/48/352155048.db2.gz BGESOBXYEZSXSR-AWEZNQCLSA-N 2 1 244.423 2.367 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638338186 352157721 /nfs/dbraw/zinc/15/77/21/352157721.db2.gz SUWINQCOLDCTSE-BTTYYORXSA-N 2 1 224.392 2.352 20 0 BEADMP CC[C@H](C[NH2+][C@@H](C)[C@@H]1CC1(F)F)[NH+]1CCCC1 ZINC000638354666 352169088 /nfs/dbraw/zinc/16/90/88/352169088.db2.gz SQEOFHKQWLJQGI-TUAOUCFPSA-N 2 1 246.345 2.494 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638410239 352218040 /nfs/dbraw/zinc/21/80/40/352218040.db2.gz XRKAQNJBASTXQF-XQLPTFJDSA-N 2 1 236.403 2.354 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@](C)(CC)OC)C1 ZINC000638452314 352263367 /nfs/dbraw/zinc/26/33/67/352263367.db2.gz XCLAYRJMVFJIIB-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP COc1ccccc1CNC[C@H]1CCC[N@@H+](C)C1 ZINC000044535113 352351810 /nfs/dbraw/zinc/35/18/10/352351810.db2.gz KVKAIHKTXRXMPF-CYBMUJFWSA-N 2 1 248.370 2.127 20 0 BEADMP COc1ccccc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044535113 352351814 /nfs/dbraw/zinc/35/18/14/352351814.db2.gz KVKAIHKTXRXMPF-CYBMUJFWSA-N 2 1 248.370 2.127 20 0 BEADMP C[C@@H](CCc1ccccc1)C[NH2+][C@@H](C)C[NH3+] ZINC000414949138 352370813 /nfs/dbraw/zinc/37/08/13/352370813.db2.gz YWUMETSTWLJWDQ-STQMWFEESA-N 2 1 220.360 2.192 20 0 BEADMP C[N@H+](CC[NH2+]CCC[C@@H]1CCO1)C1CCCC1 ZINC000638544924 352374126 /nfs/dbraw/zinc/37/41/26/352374126.db2.gz LFZGSSCLAPJUHC-CQSZACIVSA-N 2 1 240.391 2.020 20 0 BEADMP C[N@@H+](CC[NH2+]CCC[C@@H]1CCO1)C1CCCC1 ZINC000638544924 352374128 /nfs/dbraw/zinc/37/41/28/352374128.db2.gz LFZGSSCLAPJUHC-CQSZACIVSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C)[C@H]2C)CC[NH2+]1 ZINC000252931281 538103816 /nfs/dbraw/zinc/10/38/16/538103816.db2.gz BFFRSWMZRDXURF-FDYHWXHSSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC[N@H+]1C ZINC000638711288 352548877 /nfs/dbraw/zinc/54/88/77/352548877.db2.gz YLDGCOPNPRQKIZ-RGDJUOJXSA-N 2 1 222.376 2.105 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000038917580 352567109 /nfs/dbraw/zinc/56/71/09/352567109.db2.gz MRWADXJLYWZRTH-OBJOEFQTSA-N 2 1 218.344 2.417 20 0 BEADMP C[C@H]([NH3+])C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000038915698 352567245 /nfs/dbraw/zinc/56/72/45/352567245.db2.gz XLBNTCSNXFUOGY-ZDUSSCGKSA-N 2 1 232.371 2.288 20 0 BEADMP CCOc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000044528033 352654874 /nfs/dbraw/zinc/65/48/74/352654874.db2.gz XLYCURWDHDANRG-AWEZNQCLSA-N 2 1 248.370 2.256 20 0 BEADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000044527772 352654943 /nfs/dbraw/zinc/65/49/43/352654943.db2.gz LTWJFRAEQGUMJN-CQSZACIVSA-N 2 1 248.370 2.256 20 0 BEADMP C[N@@H+](CC1CCCCC1)C[C@H]1CCC[NH2+]C1 ZINC000042495610 352622337 /nfs/dbraw/zinc/62/23/37/352622337.db2.gz WMNPUBSJBQKVFX-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043324789 352636214 /nfs/dbraw/zinc/63/62/14/352636214.db2.gz VLZIXWIHSYXSMC-GXTWGEPZSA-N 2 1 218.344 2.132 20 0 BEADMP C[C@H](C[NH2+][C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043324795 352636618 /nfs/dbraw/zinc/63/66/18/352636618.db2.gz VLZIXWIHSYXSMC-OCCSQVGLSA-N 2 1 218.344 2.132 20 0 BEADMP COC1([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)CCC1 ZINC000412026404 191240260 /nfs/dbraw/zinc/24/02/60/191240260.db2.gz SFFFXFRNNJKUTF-CHWSQXEVSA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)C1(C[NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000638838012 353022372 /nfs/dbraw/zinc/02/23/72/353022372.db2.gz BQXGNFQOIIKSGT-UHFFFAOYSA-N 2 1 222.376 2.274 20 0 BEADMP Cc1ccc(CC[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000638839022 353023266 /nfs/dbraw/zinc/02/32/66/353023266.db2.gz VCABPDZFKSYTCI-UHFFFAOYSA-N 2 1 244.382 2.389 20 0 BEADMP CCC([NH3+])(CC)C[NH2+]Cc1scnc1C ZINC000086814776 535193818 /nfs/dbraw/zinc/19/38/18/535193818.db2.gz LHTGPSMARHIROW-UHFFFAOYSA-N 2 1 227.377 2.059 20 0 BEADMP Cc1ccc(CCC[N@H+](C)C2CC2)cn1 ZINC000353452155 188060738 /nfs/dbraw/zinc/06/07/38/188060738.db2.gz VDZSDSNDQNHWIG-UHFFFAOYSA-N 2 1 204.317 2.417 20 0 BEADMP CC(C)C[C@@H]1CCCCC[N@H+]1CCOCC[NH3+] ZINC000357094039 188066321 /nfs/dbraw/zinc/06/63/21/188066321.db2.gz XVQUGLSXBVHAAC-AWEZNQCLSA-N 2 1 242.407 2.252 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000049707621 188125750 /nfs/dbraw/zinc/12/57/50/188125750.db2.gz DJYGJKUQAAIGTJ-WCQYABFASA-N 2 1 234.343 2.007 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000105480682 188127014 /nfs/dbraw/zinc/12/70/14/188127014.db2.gz WQPXUVKWDCBGPF-FZMZJTMJSA-N 2 1 236.334 2.256 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CC(C)C ZINC000049330064 188152614 /nfs/dbraw/zinc/15/26/14/188152614.db2.gz ACYOTVGASBHPLE-LLVKDONJSA-N 2 1 209.337 2.216 20 0 BEADMP CC1(C)C[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336651983 188163720 /nfs/dbraw/zinc/16/37/20/188163720.db2.gz IJTUVPSFTXEKMM-NSHDSACASA-N 2 1 222.376 2.249 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CC1CC1 ZINC000309125142 188165818 /nfs/dbraw/zinc/16/58/18/188165818.db2.gz VZIRBCBKMYQWBS-NEPJUHHUSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)CC1CC1 ZINC000309125142 188165820 /nfs/dbraw/zinc/16/58/20/188165820.db2.gz VZIRBCBKMYQWBS-NEPJUHHUSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)([NH3+])C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000040926015 188149605 /nfs/dbraw/zinc/14/96/05/188149605.db2.gz OEBSIVPMNKEIDA-VXGBXAGGSA-N 2 1 210.365 2.236 20 0 BEADMP CC(C)([NH3+])C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000040926015 188149606 /nfs/dbraw/zinc/14/96/06/188149606.db2.gz OEBSIVPMNKEIDA-VXGBXAGGSA-N 2 1 210.365 2.236 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000337411573 188186713 /nfs/dbraw/zinc/18/67/13/188186713.db2.gz XGMNMAVCEAKQPO-MCIONIFRSA-N 2 1 233.359 2.360 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000353565921 188214285 /nfs/dbraw/zinc/21/42/85/188214285.db2.gz LIJUMCJNDWOTAO-CHWSQXEVSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000353565921 188214286 /nfs/dbraw/zinc/21/42/86/188214286.db2.gz LIJUMCJNDWOTAO-CHWSQXEVSA-N 2 1 242.407 2.120 20 0 BEADMP Cc1cccc(C)c1C[N@@H+](C)CCC[NH3+] ZINC000122157728 324032342 /nfs/dbraw/zinc/03/23/42/324032342.db2.gz KQZYFWVGNFBMRA-UHFFFAOYSA-N 2 1 206.333 2.084 20 0 BEADMP COCc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000251941655 353293803 /nfs/dbraw/zinc/29/38/03/353293803.db2.gz ZQNBPLZTTNPUAA-IUODEOHRSA-N 2 1 248.370 2.002 20 0 BEADMP CC(C)(C)CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252839423 353312054 /nfs/dbraw/zinc/31/20/54/353312054.db2.gz AWRUHZQSYDDKOA-RWMBFGLXSA-N 2 1 224.392 2.482 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CC(C)(C)C2)C1 ZINC000336772084 353312141 /nfs/dbraw/zinc/31/21/41/353312141.db2.gz VDFYBAMGSCLKHD-GFCCVEGCSA-N 2 1 224.392 2.497 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]21 ZINC000230126732 353473580 /nfs/dbraw/zinc/47/35/80/353473580.db2.gz FUMKYKSMYPIVMB-KGYLQXTDSA-N 2 1 236.384 2.307 20 0 BEADMP Fc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037408270 181013184 /nfs/dbraw/zinc/01/31/84/181013184.db2.gz IFZJRSZGSFIABZ-LBPRGKRZSA-N 2 1 248.345 2.400 20 0 BEADMP Fc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037408270 181013185 /nfs/dbraw/zinc/01/31/85/181013185.db2.gz IFZJRSZGSFIABZ-LBPRGKRZSA-N 2 1 248.345 2.400 20 0 BEADMP Fc1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335267424 181011543 /nfs/dbraw/zinc/01/15/43/181011543.db2.gz GARLYKNGPGMKOM-BETUJISGSA-N 2 1 248.345 2.257 20 0 BEADMP CCSCC[NH2+]CCC[N@@H+](C)C(C)C ZINC000230977573 363332231 /nfs/dbraw/zinc/33/22/31/363332231.db2.gz WKQLVBUDYMZBIR-UHFFFAOYSA-N 2 1 218.410 2.059 20 0 BEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000449743391 202018299 /nfs/dbraw/zinc/01/82/99/202018299.db2.gz XFZJFYVDUMPKFH-XGUBFFRZSA-N 2 1 234.387 2.249 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]2C2CC2)CC1 ZINC000344303881 354214164 /nfs/dbraw/zinc/21/41/64/354214164.db2.gz WOQDOQYJYXAVAG-LSDHHAIUSA-N 2 1 234.387 2.417 20 0 BEADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639178412 354253841 /nfs/dbraw/zinc/25/38/41/354253841.db2.gz LJIOFKFQHNVKFY-ARKGTOAJSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639178412 354253843 /nfs/dbraw/zinc/25/38/43/354253843.db2.gz LJIOFKFQHNVKFY-ARKGTOAJSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639178412 354253846 /nfs/dbraw/zinc/25/38/46/354253846.db2.gz LJIOFKFQHNVKFY-ARKGTOAJSA-N 2 1 248.414 2.449 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]CCC[C@H]1CCO1 ZINC000639190613 354432514 /nfs/dbraw/zinc/43/25/14/354432514.db2.gz XEGLRGLAOKUJEL-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CCC[C@H]1CCO1 ZINC000639190613 354432517 /nfs/dbraw/zinc/43/25/17/354432517.db2.gz XEGLRGLAOKUJEL-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP Cc1nccn1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000179188454 366220443 /nfs/dbraw/zinc/22/04/43/366220443.db2.gz CLDJOOOQTNTDIX-UHFFFAOYSA-N 2 1 247.317 2.463 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000179188454 366220447 /nfs/dbraw/zinc/22/04/47/366220447.db2.gz CLDJOOOQTNTDIX-UHFFFAOYSA-N 2 1 247.317 2.463 20 0 BEADMP C[C@H]1C[N@@H+](C)C[C@@H]1NC1(c2cccc(F)c2)CC1 ZINC000334737894 354540408 /nfs/dbraw/zinc/54/04/08/354540408.db2.gz MYWVTGMDYXEQBP-FZMZJTMJSA-N 2 1 248.345 2.355 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+]CCC[C@H]1CCO1 ZINC000639198138 354599909 /nfs/dbraw/zinc/59/99/09/354599909.db2.gz NUAOJFIMYOWEEP-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]CCC[C@H]1CCO1 ZINC000639198138 354599910 /nfs/dbraw/zinc/59/99/10/354599910.db2.gz NUAOJFIMYOWEEP-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP CC[N@@H+](CC1CC1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000233458507 363402228 /nfs/dbraw/zinc/40/22/28/363402228.db2.gz QEDHLTREQHCBGO-AAEUAGOBSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CCCCC[N@H+]1CCc1cncn1C ZINC000335145403 354854446 /nfs/dbraw/zinc/85/44/46/354854446.db2.gz CNRTZMSOIKPGLP-GFCCVEGCSA-N 2 1 221.348 2.227 20 0 BEADMP CC[C@@H](C)C[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000233823667 363408010 /nfs/dbraw/zinc/40/80/10/363408010.db2.gz UCVOYEGZLKEYEY-VXGBXAGGSA-N 2 1 212.381 2.400 20 0 BEADMP F[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000335169422 354931904 /nfs/dbraw/zinc/93/19/04/354931904.db2.gz KQNDLTASUMAFRC-JQWIXIFHSA-N 2 1 226.339 2.093 20 0 BEADMP CC(C)C1CC([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000335174025 354940816 /nfs/dbraw/zinc/94/08/16/354940816.db2.gz MUCMFTKQRGXWPY-WTIISPKJSA-N 2 1 210.365 2.009 20 0 BEADMP C1CC12CCC([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC000335177612 354947574 /nfs/dbraw/zinc/94/75/74/354947574.db2.gz JYKLVHCMJJFJDE-GFCCVEGCSA-N 2 1 208.349 2.051 20 0 BEADMP CC(C)CCOC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000346834752 355130250 /nfs/dbraw/zinc/13/02/50/355130250.db2.gz SXTXQTZYSZXXGH-UHFFFAOYSA-N 2 1 242.407 2.251 20 0 BEADMP Fc1cc(F)cc(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000335250251 355170323 /nfs/dbraw/zinc/17/03/23/355170323.db2.gz KNOPWZXYLSENIY-ZDUSSCGKSA-N 2 1 240.297 2.197 20 0 BEADMP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000346964820 355172390 /nfs/dbraw/zinc/17/23/90/355172390.db2.gz BVKGGWDAAVOESU-CQSZACIVSA-N 2 1 247.386 2.300 20 0 BEADMP CC(C)([NH3+])C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000346964820 355172392 /nfs/dbraw/zinc/17/23/92/355172392.db2.gz BVKGGWDAAVOESU-CQSZACIVSA-N 2 1 247.386 2.300 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2)CC[NH2+]1 ZINC000335259718 355199808 /nfs/dbraw/zinc/19/98/08/355199808.db2.gz LPRXTFWWKUJRHU-NOZJJQNGSA-N 2 1 240.297 2.195 20 0 BEADMP CC[C@H](C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1)OC ZINC000412975345 191346136 /nfs/dbraw/zinc/34/61/36/191346136.db2.gz FQWNLYLJSXVHRP-BFHYXJOUSA-N 2 1 242.407 2.216 20 0 BEADMP CC[C@H](C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1)OC ZINC000412975345 191346138 /nfs/dbraw/zinc/34/61/38/191346138.db2.gz FQWNLYLJSXVHRP-BFHYXJOUSA-N 2 1 242.407 2.216 20 0 BEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CC1(F)F ZINC000639245727 355274938 /nfs/dbraw/zinc/27/49/38/355274938.db2.gz BDXPBJKEAAFUSQ-AZWZAMPBSA-N 2 1 244.329 2.245 20 0 BEADMP CC(C)([NH3+])C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000335600139 355321208 /nfs/dbraw/zinc/32/12/08/355321208.db2.gz ULTCQJYGNVMTNY-ZDUSSCGKSA-N 2 1 234.343 2.097 20 0 BEADMP C[C@@H](Cc1ccoc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000583545700 355521921 /nfs/dbraw/zinc/52/19/21/355521921.db2.gz LAYHAKNSZXFPJU-GXTWGEPZSA-N 2 1 236.359 2.142 20 0 BEADMP C[C@H](Cc1ccoc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000583545703 355522361 /nfs/dbraw/zinc/52/23/61/355522361.db2.gz LAYHAKNSZXFPJU-TZMCWYRMSA-N 2 1 236.359 2.142 20 0 BEADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@@H]1CCC13CCC3)C2 ZINC000336003074 134048035 /nfs/dbraw/zinc/04/80/35/134048035.db2.gz OTIDYXKKXMOUKO-ZWNOBZJWSA-N 2 1 231.343 2.189 20 0 BEADMP CC[N@H+]1CC[C@@H](NCc2cc(F)ccc2C)C1 ZINC000389142865 355730560 /nfs/dbraw/zinc/73/05/60/355730560.db2.gz HNQOWKXFTATSPV-CQSZACIVSA-N 2 1 236.334 2.318 20 0 BEADMP CC[N@H+]1CC[C@H](NCc2cc(F)ccc2C)C1 ZINC000389142864 355730792 /nfs/dbraw/zinc/73/07/92/355730792.db2.gz HNQOWKXFTATSPV-AWEZNQCLSA-N 2 1 236.334 2.318 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1F ZINC000216048345 355800541 /nfs/dbraw/zinc/80/05/41/355800541.db2.gz AANOTBDSQYHWSN-WCQYABFASA-N 2 1 236.334 2.303 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c(C)c1 ZINC000216042831 355802780 /nfs/dbraw/zinc/80/27/80/355802780.db2.gz GZXLNDPIBQVYBH-KBPBESRZSA-N 2 1 232.371 2.473 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000351423348 355988876 /nfs/dbraw/zinc/98/88/76/355988876.db2.gz VMYYMCYJOFVPGU-FDYHWXHSSA-N 2 1 210.365 2.057 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000351423348 355988880 /nfs/dbraw/zinc/98/88/80/355988880.db2.gz VMYYMCYJOFVPGU-FDYHWXHSSA-N 2 1 210.365 2.057 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000351423348 355988885 /nfs/dbraw/zinc/98/88/85/355988885.db2.gz VMYYMCYJOFVPGU-FDYHWXHSSA-N 2 1 210.365 2.057 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000351423348 355988890 /nfs/dbraw/zinc/98/88/90/355988890.db2.gz VMYYMCYJOFVPGU-FDYHWXHSSA-N 2 1 210.365 2.057 20 0 BEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1C[C@@H]1C ZINC000351232411 355965356 /nfs/dbraw/zinc/96/53/56/355965356.db2.gz XWSUUNCHDFJHKY-FQUUOJAGSA-N 2 1 222.376 2.201 20 0 BEADMP CCc1cccc(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000420298745 192205232 /nfs/dbraw/zinc/20/52/32/192205232.db2.gz SMZFYNVKNNNXND-CQSZACIVSA-N 2 1 218.344 2.030 20 0 BEADMP CCc1cccc(C[N@H+]2CC[C@H](C[NH2+]C)C2)c1 ZINC000420297068 192205896 /nfs/dbraw/zinc/20/58/96/192205896.db2.gz QVVIJBGNEFSLDM-OAHLLOKOSA-N 2 1 232.371 2.290 20 0 BEADMP CCc1cccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000420302426 192206591 /nfs/dbraw/zinc/20/65/91/192206591.db2.gz GAXPOEPHCSXRPQ-WFASDCNBSA-N 2 1 232.371 2.418 20 0 BEADMP C[C@H]([NH3+])C1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000420303989 192206934 /nfs/dbraw/zinc/20/69/34/192206934.db2.gz XSGIEWJMJOPLJA-JTQLQIEISA-N 2 1 249.358 2.111 20 0 BEADMP CCc1cccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000420302424 192207026 /nfs/dbraw/zinc/20/70/26/192207026.db2.gz GAXPOEPHCSXRPQ-IUODEOHRSA-N 2 1 232.371 2.418 20 0 BEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCc1ccsc1 ZINC000420316220 192213103 /nfs/dbraw/zinc/21/31/03/192213103.db2.gz LTTGZTURKISMBO-YPMHNXCESA-N 2 1 238.400 2.350 20 0 BEADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@H](C)C2)cc1 ZINC000420317665 192213523 /nfs/dbraw/zinc/21/35/23/192213523.db2.gz NPZDNQOBOLFFPA-JSGCOSHPSA-N 2 1 248.370 2.079 20 0 BEADMP C[C@H]1CCCC[C@@H]1OCC[N@@H+](C)C1CC([NH3+])C1 ZINC000420331887 192213790 /nfs/dbraw/zinc/21/37/90/192213790.db2.gz MSHPCCSPRHOZGO-ABXWRUBCSA-N 2 1 240.391 2.003 20 0 BEADMP CCCCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331974 192213840 /nfs/dbraw/zinc/21/38/40/192213840.db2.gz CJEJVYJODXASAW-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP CCC(C)(C)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420332130 192213946 /nfs/dbraw/zinc/21/39/46/192213946.db2.gz CQTKKTBMPSTMBC-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420332130 192213947 /nfs/dbraw/zinc/21/39/47/192213947.db2.gz CQTKKTBMPSTMBC-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP C[N@@H+](CCOC1CCCCCC1)C1CC([NH3+])C1 ZINC000420335247 192214537 /nfs/dbraw/zinc/21/45/37/192214537.db2.gz PMYVNIMKRIDVFD-UHFFFAOYSA-N 2 1 240.391 2.147 20 0 BEADMP C[N@@H+](CCCc1ccncc1)[C@@H]1CCC[NH2+]CC1 ZINC000420305030 192208426 /nfs/dbraw/zinc/20/84/26/192208426.db2.gz FTQKTLGMZMGRSD-OAHLLOKOSA-N 2 1 247.386 2.088 20 0 BEADMP C[C@@H]1CCC[C@H](C)[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420305660 192208579 /nfs/dbraw/zinc/20/85/79/192208579.db2.gz PTKXXBMWMFZTJU-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cnc([C@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)o1 ZINC000420305468 192209347 /nfs/dbraw/zinc/20/93/47/192209347.db2.gz GKKKDZFDJFZYOU-NWDGAFQWSA-N 2 1 237.347 2.105 20 0 BEADMP Cc1cnc([C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000420305104 192209499 /nfs/dbraw/zinc/20/94/99/192209499.db2.gz JSTHXOIRTCNVIT-RVMXOQNASA-N 2 1 249.358 2.103 20 0 BEADMP Cc1cnc([C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000420305104 192209501 /nfs/dbraw/zinc/20/95/01/192209501.db2.gz JSTHXOIRTCNVIT-RVMXOQNASA-N 2 1 249.358 2.103 20 0 BEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC[C@@H]1CCCCO1 ZINC000420307712 192209670 /nfs/dbraw/zinc/20/96/70/192209670.db2.gz CDTUGCHEWSGGHJ-KBPBESRZSA-N 2 1 240.391 2.149 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC000420312230 192209973 /nfs/dbraw/zinc/20/99/73/192209973.db2.gz RYRRBPFRLOPQTK-NXEZZACHSA-N 2 1 238.297 2.388 20 0 BEADMP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000420312766 192210318 /nfs/dbraw/zinc/21/03/18/192210318.db2.gz XEFVUJFYQPJBFM-VNHYZAJKSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000420312766 192210321 /nfs/dbraw/zinc/21/03/21/192210321.db2.gz XEFVUJFYQPJBFM-VNHYZAJKSA-N 2 1 232.371 2.459 20 0 BEADMP CCc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000420313975 192211974 /nfs/dbraw/zinc/21/19/74/192211974.db2.gz KODAWDBFNKVBBB-HOTGVXAUSA-N 2 1 244.382 2.433 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC1CCCC1 ZINC000420371389 192227214 /nfs/dbraw/zinc/22/72/14/192227214.db2.gz PKAPFBDZYAUGAG-WZRBSPASSA-N 2 1 210.365 2.153 20 0 BEADMP CCSCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420328344 192230000 /nfs/dbraw/zinc/23/00/00/192230000.db2.gz MHXCHPCZPQNTLG-STQMWFEESA-N 2 1 242.432 2.061 20 0 BEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCCC(F)(F)F ZINC000420326091 192230244 /nfs/dbraw/zinc/23/02/44/192230244.db2.gz XAWZREKVUNHOHL-NXEZZACHSA-N 2 1 238.297 2.388 20 0 BEADMP Cc1ccc([C@@]2(C)CC[N@@H+](C[C@@H](C)[NH3+])C2)cc1 ZINC000420357481 192220255 /nfs/dbraw/zinc/22/02/55/192220255.db2.gz HYDPUFQKESKLMN-HIFRSBDPSA-N 2 1 232.371 2.306 20 0 BEADMP Cc1ccc([C@@]2(C)CC[N@H+](C[C@@H](C)[NH3+])C2)cc1 ZINC000420357481 192220258 /nfs/dbraw/zinc/22/02/58/192220258.db2.gz HYDPUFQKESKLMN-HIFRSBDPSA-N 2 1 232.371 2.306 20 0 BEADMP c1cc([C@@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)ccn1 ZINC000420363491 192223570 /nfs/dbraw/zinc/22/35/70/192223570.db2.gz PHBXAVVNPDHRNG-ZFWWWQNUSA-N 2 1 245.370 2.218 20 0 BEADMP CC[C@H]1Cc2ccccc2C[N@H+]1CCC[NH2+]C ZINC000420365633 192224242 /nfs/dbraw/zinc/22/42/42/192224242.db2.gz SKCYICOJCIDCAW-HNNXBMFYSA-N 2 1 232.371 2.433 20 0 BEADMP CCC1(CC)CCC[N@@H+](CCOCC[NH3+])CC1 ZINC000420381559 192235749 /nfs/dbraw/zinc/23/57/49/192235749.db2.gz XWMIMIJGIZFQCE-UHFFFAOYSA-N 2 1 242.407 2.254 20 0 BEADMP C[NH2+]CCC[N@@H+](C)CCCCC(F)(F)F ZINC000420395692 192236556 /nfs/dbraw/zinc/23/65/56/192236556.db2.gz UJEUOWWSPKLABR-UHFFFAOYSA-N 2 1 226.286 2.260 20 0 BEADMP C[NH2+]CCC[N@@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC000420392606 192236958 /nfs/dbraw/zinc/23/69/58/192236958.db2.gz VZLYWOPXFSRDHX-CQSZACIVSA-N 2 1 236.334 2.354 20 0 BEADMP C[NH2+]CCC[N@@H+](C)CCCc1ccsc1 ZINC000420394859 192237306 /nfs/dbraw/zinc/23/73/06/192237306.db2.gz SDTNPLIMSAGANI-UHFFFAOYSA-N 2 1 226.389 2.222 20 0 BEADMP [NH3+]CC[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000420392461 192237637 /nfs/dbraw/zinc/23/76/37/192237637.db2.gz BNFBQJFAKYRQQM-HUUCEWRRSA-N 2 1 232.371 2.336 20 0 BEADMP CC[C@@H]([NH2+]CCC[NH3+])c1cc(F)ccc1F ZINC000420402618 192237998 /nfs/dbraw/zinc/23/79/98/192237998.db2.gz KBVNJFOJXLRGNQ-GFCCVEGCSA-N 2 1 228.286 2.354 20 0 BEADMP CCCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420409532 192239001 /nfs/dbraw/zinc/23/90/01/192239001.db2.gz XFHIXICTTJSTMH-STQMWFEESA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1cccc(F)c1F ZINC000420409305 192239345 /nfs/dbraw/zinc/23/93/45/192239345.db2.gz QLDGAYBAALHYLT-NXEZZACHSA-N 2 1 240.297 2.225 20 0 BEADMP CCOCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192697740 356432604 /nfs/dbraw/zinc/43/26/04/356432604.db2.gz FPAXOQAJMBXTQZ-AGUYFDCRSA-N 2 1 240.391 2.018 20 0 BEADMP CCc1ccc(C[NH2+]CCC[NH+]2CCCC2)cn1 ZINC000352255670 134119097 /nfs/dbraw/zinc/11/90/97/134119097.db2.gz AKDXBJOXVNCEPR-UHFFFAOYSA-N 2 1 247.386 2.220 20 0 BEADMP CCc1ccc(C[NH2+]C2CC[NH+](CC)CC2)cn1 ZINC000352240513 134118344 /nfs/dbraw/zinc/11/83/44/134118344.db2.gz HRMFJYPPEFYXBN-UHFFFAOYSA-N 2 1 247.386 2.218 20 0 BEADMP Cc1cc(C)c(C[N@H+]2C[C@@H](O)C(C)(C)C2)c(C)n1 ZINC000639618633 356535773 /nfs/dbraw/zinc/53/57/73/356535773.db2.gz QSHQNJJQPFMYDT-CQSZACIVSA-N 2 1 248.370 2.210 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)[C@H]1C ZINC000449778309 202031128 /nfs/dbraw/zinc/03/11/28/202031128.db2.gz BILKTJBPOBMOJR-AGIUHOORSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)[C@H]1C ZINC000449778309 202031132 /nfs/dbraw/zinc/03/11/32/202031132.db2.gz BILKTJBPOBMOJR-AGIUHOORSA-N 2 1 224.392 2.495 20 0 BEADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H]1C1CCC1 ZINC000336197083 134126903 /nfs/dbraw/zinc/12/69/03/134126903.db2.gz KGEHHXQTCKIYLX-TZMCWYRMSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2ccsc2)C[C@@H]1C[NH3+] ZINC000167604188 134152751 /nfs/dbraw/zinc/15/27/51/134152751.db2.gz XKBUNVDUFAERAO-PWSUYJOCSA-N 2 1 224.373 2.165 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CCSCC1 ZINC000167691520 134153915 /nfs/dbraw/zinc/15/39/15/134153915.db2.gz NZWHJVMLTLSMDL-AAEUAGOBSA-N 2 1 242.432 2.059 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC000450410542 202158049 /nfs/dbraw/zinc/15/80/49/202158049.db2.gz ZELLQCUZULJREI-CQSZACIVSA-N 2 1 222.376 2.370 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccn2)CC1(C)C ZINC000623336601 356724728 /nfs/dbraw/zinc/72/47/28/356724728.db2.gz ZFAYUOVVQDSOGJ-AWEZNQCLSA-N 2 1 247.386 2.087 20 0 BEADMP CCOCCCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623362610 356812688 /nfs/dbraw/zinc/81/26/88/356812688.db2.gz BCBAZDSTCIFUJC-ZDUSSCGKSA-N 2 1 242.407 2.266 20 0 BEADMP CC(C)[NH2+]C1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000450561492 202199670 /nfs/dbraw/zinc/19/96/70/202199670.db2.gz QKKZKRDDAJOKLE-UHFFFAOYSA-N 2 1 246.345 2.494 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCCO2)CC1(C)C ZINC000623377440 356896471 /nfs/dbraw/zinc/89/64/71/356896471.db2.gz ZAARRMJNQDBTMJ-QWHCGFSZSA-N 2 1 240.391 2.018 20 0 BEADMP CCC(C)(C)CC[N@H+]1CCC[C@H]1C[NH2+]C ZINC000261552916 535350998 /nfs/dbraw/zinc/35/09/98/535350998.db2.gz SBKRNRRZJPYGCU-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]C2CCSCC2)CC1(C)C ZINC000623404902 357140271 /nfs/dbraw/zinc/14/02/71/357140271.db2.gz PRUYWRNYGDFPPR-GFCCVEGCSA-N 2 1 242.432 2.344 20 0 BEADMP Cc1cc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])no1 ZINC000423282554 192674673 /nfs/dbraw/zinc/67/46/73/192674673.db2.gz VLHMQNUIXOYZMY-SRVKXCTJSA-N 2 1 237.347 2.151 20 0 BEADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000628425916 357254319 /nfs/dbraw/zinc/25/43/19/357254319.db2.gz ZCZQTAQWMOVJPQ-FRRDWIJNSA-N 2 1 242.432 2.059 20 0 BEADMP COC1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000130099983 357313098 /nfs/dbraw/zinc/31/30/98/357313098.db2.gz XKDSCBMZPWYJES-NELGMTEASA-N 2 1 240.391 2.016 20 0 BEADMP COC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000130099983 357313102 /nfs/dbraw/zinc/31/31/02/357313102.db2.gz XKDSCBMZPWYJES-NELGMTEASA-N 2 1 240.391 2.016 20 0 BEADMP C[C@H]([NH2+]Cc1cc2ccccc2o1)C1C[NH2+]C1 ZINC000582839270 357411520 /nfs/dbraw/zinc/41/15/20/357411520.db2.gz LOJYMHHJOJHMCD-JTQLQIEISA-N 2 1 230.311 2.130 20 0 BEADMP Cc1ccc(CCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000582753323 357380708 /nfs/dbraw/zinc/38/07/08/357380708.db2.gz YGTYHFYGNHQILT-UHFFFAOYSA-N 2 1 249.402 2.206 20 0 BEADMP CCC(=O)CCC[N@H+](C)C1CCN(CC)CC1 ZINC000233467955 357724237 /nfs/dbraw/zinc/72/42/37/357724237.db2.gz WOTNRWNZOCJJIU-UHFFFAOYSA-N 2 1 240.391 2.162 20 0 BEADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccoc1 ZINC000583257762 357734833 /nfs/dbraw/zinc/73/48/33/357734833.db2.gz ZENYQWPKBVJGNP-ZYHUDNBSSA-N 2 1 208.305 2.072 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1cccc2cccnc21 ZINC000020246149 357931708 /nfs/dbraw/zinc/93/17/08/357931708.db2.gz HCKUXVRYRMPLIL-UHFFFAOYSA-N 2 1 229.327 2.015 20 0 BEADMP Cc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)c(C)s1 ZINC000584517276 358029302 /nfs/dbraw/zinc/02/93/02/358029302.db2.gz JZPAXECYTJOEAF-GFCCVEGCSA-N 2 1 226.389 2.438 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC2CC2)C1 ZINC000229692385 491119223 /nfs/dbraw/zinc/11/92/23/491119223.db2.gz HRPADKIECJKYNH-JSGCOSHPSA-N 2 1 224.392 2.495 20 0 BEADMP Cc1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000168805579 134247129 /nfs/dbraw/zinc/24/71/29/134247129.db2.gz BMAPWJDSBYMSDL-AWEZNQCLSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000168805579 134247130 /nfs/dbraw/zinc/24/71/30/134247130.db2.gz BMAPWJDSBYMSDL-AWEZNQCLSA-N 2 1 218.344 2.227 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2CCCCC2)CC[N@@H+]1C ZINC000090720404 363596120 /nfs/dbraw/zinc/59/61/20/363596120.db2.gz HKTQAIPQZUROAC-YPMHNXCESA-N 2 1 210.365 2.391 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2CCCCC2)CC[N@H+]1C ZINC000090720404 363596124 /nfs/dbraw/zinc/59/61/24/363596124.db2.gz HKTQAIPQZUROAC-YPMHNXCESA-N 2 1 210.365 2.391 20 0 BEADMP C([C@@H]1CCC[NH2+]C1)[N@@H+](C1CC1)C1CCCC1 ZINC000226435590 358339881 /nfs/dbraw/zinc/33/98/81/358339881.db2.gz FNJZHTOBJFDSGU-GFCCVEGCSA-N 2 1 222.376 2.393 20 0 BEADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000226437325 358339898 /nfs/dbraw/zinc/33/98/98/358339898.db2.gz FBMBTGOZXWCKOA-IHRRRGAJSA-N 2 1 222.376 2.251 20 0 BEADMP CC(C)[N@@H+](Cc1ccccn1)C[C@H]1CCC[NH2+]C1 ZINC000226439439 358340116 /nfs/dbraw/zinc/34/01/16/358340116.db2.gz YIHOTAZRBREARO-AWEZNQCLSA-N 2 1 247.386 2.292 20 0 BEADMP CC(C)[N@H+](Cc1ccccn1)C[C@H]1CCC[NH2+]C1 ZINC000226439439 358340119 /nfs/dbraw/zinc/34/01/19/358340119.db2.gz YIHOTAZRBREARO-AWEZNQCLSA-N 2 1 247.386 2.292 20 0 BEADMP CC(C)[N@@H+](CC1CC1)CC1CC[NH2+]CC1 ZINC000042593569 358353153 /nfs/dbraw/zinc/35/31/53/358353153.db2.gz LWIPMEFQGZNCTD-UHFFFAOYSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1cccc(C[N@@H+](C)CCC[NH3+])c1C ZINC000227744874 358362985 /nfs/dbraw/zinc/36/29/85/358362985.db2.gz VEYKVCXRHNLTKQ-UHFFFAOYSA-N 2 1 206.333 2.084 20 0 BEADMP C[C@@H](CC[N@@H+](C)CCC[NH3+])c1ccccc1 ZINC000227744509 358363141 /nfs/dbraw/zinc/36/31/41/358363141.db2.gz KODNGUBUBKGHTO-ZDUSSCGKSA-N 2 1 220.360 2.461 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000044535022 358389685 /nfs/dbraw/zinc/38/96/85/358389685.db2.gz IUUHDEBWQKNNHR-STQMWFEESA-N 2 1 233.359 2.074 20 0 BEADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C(C)C ZINC000044533304 358389727 /nfs/dbraw/zinc/38/97/27/358389727.db2.gz TWUMGMMGQQATDM-OLZOCXBDSA-N 2 1 212.381 2.352 20 0 BEADMP C[NH+](C)C1(C[NH2+][C@H]2CCCOCC2)CCCC1 ZINC000132032950 358704270 /nfs/dbraw/zinc/70/42/70/358704270.db2.gz NCGSRVHYPHSKHW-ZDUSSCGKSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCC[NH3+] ZINC000133199220 358748252 /nfs/dbraw/zinc/74/82/52/358748252.db2.gz MKPVCQGVOUAEMX-SECBINFHSA-N 2 1 228.286 2.306 20 0 BEADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCC[NH3+] ZINC000133199004 358748295 /nfs/dbraw/zinc/74/82/95/358748295.db2.gz MKPVCQGVOUAEMX-VIFPVBQESA-N 2 1 228.286 2.306 20 0 BEADMP Cc1ccncc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000133420097 358754750 /nfs/dbraw/zinc/75/47/50/358754750.db2.gz XHYHSBIFMFCBAU-CQSZACIVSA-N 2 1 235.375 2.195 20 0 BEADMP Cc1ccncc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000133420097 358754751 /nfs/dbraw/zinc/75/47/51/358754751.db2.gz XHYHSBIFMFCBAU-CQSZACIVSA-N 2 1 235.375 2.195 20 0 BEADMP C[C@@H]1C[N@@H+](CCCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000052092365 358772503 /nfs/dbraw/zinc/77/25/03/358772503.db2.gz PXJBGWUEEMSGFT-HIFRSBDPSA-N 2 1 248.370 2.125 20 0 BEADMP C[N@@H+](CCCF)CC[C@@H]1CCCC[NH+]1C ZINC000133836795 358769887 /nfs/dbraw/zinc/76/98/87/358769887.db2.gz UFKSOCAYYMWFSL-LBPRGKRZSA-N 2 1 216.344 2.152 20 0 BEADMP C[NH+](CCCF)CC[C@@H]1CCCC[N@@H+]1C ZINC000133836795 358769890 /nfs/dbraw/zinc/76/98/90/358769890.db2.gz UFKSOCAYYMWFSL-LBPRGKRZSA-N 2 1 216.344 2.152 20 0 BEADMP C[NH+](CCCF)CC[C@@H]1CCCC[N@H+]1C ZINC000133836795 358769893 /nfs/dbraw/zinc/76/98/93/358769893.db2.gz UFKSOCAYYMWFSL-LBPRGKRZSA-N 2 1 216.344 2.152 20 0 BEADMP FCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134870305 358808709 /nfs/dbraw/zinc/80/87/09/358808709.db2.gz VIKBEPBGGQMULS-OCCSQVGLSA-N 2 1 240.366 2.295 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C2CCCC2)C1 ZINC000054080428 358850911 /nfs/dbraw/zinc/85/09/11/358850911.db2.gz LZAIZORQRWKKMC-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC)CC2)CCO1 ZINC000070359238 359051085 /nfs/dbraw/zinc/05/10/85/359051085.db2.gz PBACJDDANWKGQG-UONOGXRCSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCS1 ZINC000246482038 359116301 /nfs/dbraw/zinc/11/63/01/359116301.db2.gz GQOHRAQPBBWBEP-FDYHWXHSSA-N 2 1 242.432 2.200 20 0 BEADMP COCCCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000074353325 359116417 /nfs/dbraw/zinc/11/64/17/359116417.db2.gz XXMJZAXKYBSPAR-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CC[N@H+](C)C2CCCC2)CCO1 ZINC000070362061 359052513 /nfs/dbraw/zinc/05/25/13/359052513.db2.gz FKCGQLOERARJEF-QWHCGFSZSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)CCO1 ZINC000070362061 359052518 /nfs/dbraw/zinc/05/25/18/359052518.db2.gz FKCGQLOERARJEF-QWHCGFSZSA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](C)C[NH3+] ZINC000423332005 192711144 /nfs/dbraw/zinc/71/11/44/192711144.db2.gz QRZLZXBJFFSKEL-BXUZGUMPSA-N 2 1 238.350 2.330 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000070643185 359060692 /nfs/dbraw/zinc/06/06/92/359060692.db2.gz SBYCPPSFAXXGGB-XJFOESAGSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000070643185 359060694 /nfs/dbraw/zinc/06/06/94/359060694.db2.gz SBYCPPSFAXXGGB-XJFOESAGSA-N 2 1 222.376 2.391 20 0 BEADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000247136606 359196670 /nfs/dbraw/zinc/19/66/70/359196670.db2.gz QPQOCXBSLAJZDJ-YNEHKIRRSA-N 2 1 242.407 2.120 20 0 BEADMP CCCCOCC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000247102376 359194346 /nfs/dbraw/zinc/19/43/46/359194346.db2.gz SLKJOVXCXFVEHJ-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@@H]1C[C@@H](C)C[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000246747033 359160960 /nfs/dbraw/zinc/16/09/60/359160960.db2.gz HNXRRYUWJZSYEN-MGPQQGTHSA-N 2 1 224.392 2.449 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@H+](C[Si](C)(C)C)CC[C@H]21 ZINC000247958287 359249251 /nfs/dbraw/zinc/24/92/51/359249251.db2.gz FWVDWNAGQWSCES-QWHCGFSZSA-N 2 1 240.467 2.280 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@@H+](C[Si](C)(C)C)CC[C@H]21 ZINC000247958287 359249256 /nfs/dbraw/zinc/24/92/56/359249256.db2.gz FWVDWNAGQWSCES-QWHCGFSZSA-N 2 1 240.467 2.280 20 0 BEADMP CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000423433341 192767797 /nfs/dbraw/zinc/76/77/97/192767797.db2.gz CFOPZZZHFGUMMZ-GYSYKLTISA-N 2 1 236.359 2.472 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000423509718 192798517 /nfs/dbraw/zinc/79/85/17/192798517.db2.gz IXVXUNDYJTUATF-LSDHHAIUSA-N 2 1 248.370 2.106 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCS[C@@H](C)CC2)CC[NH2+]1 ZINC000379545545 359541522 /nfs/dbraw/zinc/54/15/22/359541522.db2.gz YZESPCWETWGNNT-FRRDWIJNSA-N 2 1 242.432 2.202 20 0 BEADMP Cc1ccncc1[C@@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423567832 192814997 /nfs/dbraw/zinc/81/49/97/192814997.db2.gz VANCPIUBVGYXPZ-GFCCVEGCSA-N 2 1 233.359 2.183 20 0 BEADMP CCC1(CC)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000087254627 359904378 /nfs/dbraw/zinc/90/43/78/359904378.db2.gz XJBCAXZXKGEGOI-CYBMUJFWSA-N 2 1 224.392 2.498 20 0 BEADMP CCC(CC)[N@@H+](CCOC)CC[C@@H]1CC[NH2+]C1 ZINC000089749290 360037331 /nfs/dbraw/zinc/03/73/31/360037331.db2.gz PMEDPOWHTMISMZ-ZDUSSCGKSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000090714548 360084399 /nfs/dbraw/zinc/08/43/99/360084399.db2.gz ZMTKJJBHRHCCOM-XJFOESAGSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1[C@H]([NH2+][C@H]2CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000414884718 200775349 /nfs/dbraw/zinc/77/53/49/200775349.db2.gz OOQVVOTXNPRZOG-SPWCGHHHSA-N 2 1 230.355 2.130 20 0 BEADMP [NH3+][C@H](C[NH2+]Cc1cc(Cl)cs1)C1CC1 ZINC000414884629 200775491 /nfs/dbraw/zinc/77/54/91/200775491.db2.gz FVKQTITUHBAIQO-SNVBAGLBSA-N 2 1 230.764 2.228 20 0 BEADMP Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629407440 361056104 /nfs/dbraw/zinc/05/61/04/361056104.db2.gz ADQXCZZTQYFPAG-VNHYZAJKSA-N 2 1 232.371 2.266 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000309676686 491153926 /nfs/dbraw/zinc/15/39/26/491153926.db2.gz LZQRZICXZAOHLR-YUTCNCBUSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000309676686 491153927 /nfs/dbraw/zinc/15/39/27/491153927.db2.gz LZQRZICXZAOHLR-YUTCNCBUSA-N 2 1 224.392 2.493 20 0 BEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)CCc1ccco1 ZINC000629391129 361045488 /nfs/dbraw/zinc/04/54/88/361045488.db2.gz WCQAMAFBXOKADN-FPMFFAJLSA-N 2 1 236.359 2.331 20 0 BEADMP CCC[C@@H](C)CCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000629511420 361105758 /nfs/dbraw/zinc/10/57/58/361105758.db2.gz ILYMBJYWXVFXCP-OLZOCXBDSA-N 2 1 212.381 2.483 20 0 BEADMP CCC[C@@H](C)CCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000629511419 361106102 /nfs/dbraw/zinc/10/61/02/361106102.db2.gz ILYMBJYWXVFXCP-CHWSQXEVSA-N 2 1 212.381 2.483 20 0 BEADMP CCO[C@H](C[N@@H+](C)CC[C@H]([NH3+])C(C)C)C1CC1 ZINC000629512951 361107094 /nfs/dbraw/zinc/10/70/94/361107094.db2.gz JQKOFCYDGHHODR-UONOGXRCSA-N 2 1 242.407 2.107 20 0 BEADMP Cc1ccc2ncc(C[N@H+](C)CCC[NH3+])cc2c1 ZINC000629515962 361109878 /nfs/dbraw/zinc/10/98/78/361109878.db2.gz XAWYPTMGSFKZEZ-UHFFFAOYSA-N 2 1 243.354 2.324 20 0 BEADMP Cc1ccc2ncc(C[N@@H+](C)CCC[NH3+])cc2c1 ZINC000629515962 361109882 /nfs/dbraw/zinc/10/98/82/361109882.db2.gz XAWYPTMGSFKZEZ-UHFFFAOYSA-N 2 1 243.354 2.324 20 0 BEADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCCc2ncccc21 ZINC000631578253 361114092 /nfs/dbraw/zinc/11/40/92/361114092.db2.gz YUCYCJHBBFAAEV-SWLSCSKDSA-N 2 1 247.386 2.389 20 0 BEADMP CCC[C@H](C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1)OCC ZINC000629515402 361114240 /nfs/dbraw/zinc/11/42/40/361114240.db2.gz RMHXYKTYFZSFQN-RDBSUJKOSA-N 2 1 242.407 2.312 20 0 BEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CC(C(C)C)C1 ZINC000629527022 361131912 /nfs/dbraw/zinc/13/19/12/361131912.db2.gz HZWOKJATZIYSQY-IFWUJCSASA-N 2 1 210.365 2.151 20 0 BEADMP CC[C@@H](CSC)[NH2+]C1CC[NH+](CC)CC1 ZINC000162355063 361348372 /nfs/dbraw/zinc/34/83/72/361348372.db2.gz SNPYODSPJVQWMS-NSHDSACASA-N 2 1 230.421 2.202 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)[C@H]1C[C@@H]1C ZINC000629540439 361414029 /nfs/dbraw/zinc/41/40/29/361414029.db2.gz PIGVSCIFTMZPTB-WJTVCTBASA-N 2 1 210.365 2.151 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C1CCSCC1 ZINC000629543347 361421767 /nfs/dbraw/zinc/42/17/67/361421767.db2.gz YYDYNPNUHGQMML-MDZLAQPJSA-N 2 1 242.432 2.248 20 0 BEADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000629548924 361434603 /nfs/dbraw/zinc/43/46/03/361434603.db2.gz SIZWBWYJVRINGS-APHBMKBZSA-N 2 1 244.382 2.348 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C2CCC3(CC3)CC2)C[NH2+]1 ZINC000629542616 361419343 /nfs/dbraw/zinc/41/93/43/361419343.db2.gz HCVFLMLLGOYKLK-DGCLKSJQSA-N 2 1 222.376 2.439 20 0 BEADMP CC(C)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563981 361458367 /nfs/dbraw/zinc/45/83/67/361458367.db2.gz IUOSXGIKQBVYGU-UWVGGRQHSA-N 2 1 238.297 2.102 20 0 BEADMP C[C@@H]1CCC[C@H](CC[N@@H+](C)CCOCC[NH3+])C1 ZINC000629576873 361467433 /nfs/dbraw/zinc/46/74/33/361467433.db2.gz DRTBLMQPXGDSLA-ZIAGYGMSSA-N 2 1 242.407 2.110 20 0 BEADMP C(C[N@H+]1CCCC2(CC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000629587077 361475938 /nfs/dbraw/zinc/47/59/38/361475938.db2.gz XOCSIHQXIIQDOK-ZDUSSCGKSA-N 2 1 222.376 2.252 20 0 BEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCCC1CCC1)C2 ZINC000629593162 361484624 /nfs/dbraw/zinc/48/46/24/361484624.db2.gz GTXIMMOHRAYFKN-GASCZTMLSA-N 2 1 236.403 2.498 20 0 BEADMP CC[C@@H](C[NH2+][C@@H](C)C(C)C)[NH+]1CCCC1 ZINC000151669259 201165493 /nfs/dbraw/zinc/16/54/93/201165493.db2.gz KNQFRXPGOHHOLR-STQMWFEESA-N 2 1 212.381 2.495 20 0 BEADMP FC1(F)CCC[N@@H+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000629558476 361452661 /nfs/dbraw/zinc/45/26/61/361452661.db2.gz IKGPQARLLCQCLY-LLVKDONJSA-N 2 1 232.318 2.107 20 0 BEADMP CC[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629562479 361456724 /nfs/dbraw/zinc/45/67/24/361456724.db2.gz NJTGPKHQWSSJMX-LPEHRKFASA-N 2 1 238.297 2.244 20 0 BEADMP C[C@@]1(C[N@H+]2CCCC(F)(F)CC2)CC[NH2+]C1 ZINC000629655212 361560237 /nfs/dbraw/zinc/56/02/37/361560237.db2.gz UKMINWLJQPPENA-LLVKDONJSA-N 2 1 232.318 2.107 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+]CC1=Cc2ccccc2OC1 ZINC000629655269 361560388 /nfs/dbraw/zinc/56/03/88/361560388.db2.gz UITBYVICVUGNEJ-CQSZACIVSA-N 2 1 246.354 2.035 20 0 BEADMP Cc1ccc(CCCN[C@@H]2CC[C@H](C)[NH2+]C2)cn1 ZINC000629659773 361564355 /nfs/dbraw/zinc/56/43/55/361564355.db2.gz GTQPDJHTPKMLHH-DZGCQCFKSA-N 3 1 247.386 2.053 20 0 BEADMP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H](C)C1(F)F ZINC000629649983 361546074 /nfs/dbraw/zinc/54/60/74/361546074.db2.gz MWPMTDCBVGJAAY-TUAOUCFPSA-N 2 1 246.345 2.209 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC(F)(F)CC2)CC[NH2+]1 ZINC000629652788 361551453 /nfs/dbraw/zinc/55/14/53/361551453.db2.gz BIOVLGAXYBWQNA-NEPJUHHUSA-N 2 1 246.345 2.496 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC(C)(C)C)C1 ZINC000163800891 361579504 /nfs/dbraw/zinc/57/95/04/361579504.db2.gz KDMLGBXXXIQIKZ-LBPRGKRZSA-N 2 1 212.381 2.354 20 0 BEADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)CCOCC[NH3+])C1 ZINC000629667998 361588380 /nfs/dbraw/zinc/58/83/80/361588380.db2.gz ZAIUKPYABRYGCE-KGLIPLIRSA-N 2 1 242.407 2.110 20 0 BEADMP CC[C@@H]1CCC[C@@H](C[N@@H+](C)CCOCC[NH3+])C1 ZINC000629668000 361588688 /nfs/dbraw/zinc/58/86/88/361588688.db2.gz ZAIUKPYABRYGCE-ZIAGYGMSSA-N 2 1 242.407 2.110 20 0 BEADMP CC[C@H]([NH2+][C@@H](C)C[NH+](CC)CC)C1CC1 ZINC000083056248 491159536 /nfs/dbraw/zinc/15/95/36/491159536.db2.gz VYUAPOKDVNQJEZ-AAEUAGOBSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccccc1 ZINC000629672114 361614073 /nfs/dbraw/zinc/61/40/73/361614073.db2.gz MGVLEVLCNDSBPY-SGMGOOAPSA-N 2 1 218.344 2.130 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000435377071 201264834 /nfs/dbraw/zinc/26/48/34/201264834.db2.gz XUHHPSSGITZWTN-GOEBONIOSA-N 2 1 246.398 2.407 20 0 BEADMP CC[N@@H+](Cc1ncccc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435378947 201265366 /nfs/dbraw/zinc/26/53/66/201265366.db2.gz HDTMFFRFMHBKRT-CQSZACIVSA-N 2 1 247.386 2.354 20 0 BEADMP CC[N@@H+](CCC(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000435626916 201278557 /nfs/dbraw/zinc/27/85/57/201278557.db2.gz LZSOHVMLLSXHLX-JTQLQIEISA-N 2 1 238.297 2.403 20 0 BEADMP C[NH2+]CCC[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000435881571 201290551 /nfs/dbraw/zinc/29/05/51/201290551.db2.gz VMTOSGCLSAVZDG-CQSZACIVSA-N 2 1 240.391 2.020 20 0 BEADMP C[NH2+]CCC[N@H+]1Cc2ccccc2C[C@H]1C ZINC000435878765 201292462 /nfs/dbraw/zinc/29/24/62/201292462.db2.gz FUUWPMKIGYSZES-GFCCVEGCSA-N 2 1 218.344 2.043 20 0 BEADMP C[NH2+]CCC[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000435871734 201293043 /nfs/dbraw/zinc/29/30/43/201293043.db2.gz LJDMVYQHYQLNOR-ZFWWWQNUSA-N 2 1 232.371 2.474 20 0 BEADMP CC[N@H+](CCC[NH+]1CCCC1)CC1(F)CC1 ZINC000685459750 487527749 /nfs/dbraw/zinc/52/77/49/487527749.db2.gz VEWGPPUWZSLNJM-UHFFFAOYSA-N 2 1 228.355 2.296 20 0 BEADMP CC[N@@H+](CCC[NH+]1CCCC1)CC1(F)CC1 ZINC000685459750 487527751 /nfs/dbraw/zinc/52/77/51/487527751.db2.gz VEWGPPUWZSLNJM-UHFFFAOYSA-N 2 1 228.355 2.296 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC2(C)C)C[NH2+]1 ZINC000398955074 364280260 /nfs/dbraw/zinc/28/02/60/364280260.db2.gz HEKRGNVBYBPGQN-UTUOFQBUSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C)C[NH2+]1 ZINC000398959295 364280455 /nfs/dbraw/zinc/28/04/55/364280455.db2.gz KZVKDWZGOLKRRQ-FVCCEPFGSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC(C)(C)C2)C[NH2+]1 ZINC000398966806 364377047 /nfs/dbraw/zinc/37/70/47/364377047.db2.gz RSMHJGLQGWUPSO-IJLUTSLNSA-N 2 1 210.365 2.295 20 0 BEADMP CSC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000133964885 364381224 /nfs/dbraw/zinc/38/12/24/364381224.db2.gz QAFINOGIMHLPGJ-WRWGMCAJSA-N 2 1 230.421 2.056 20 0 BEADMP CCOC1CC([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453408750 202764973 /nfs/dbraw/zinc/76/49/73/202764973.db2.gz SXEUSKRATGBXGM-UHFFFAOYSA-N 2 1 240.391 2.018 20 0 BEADMP CC[N@H+](CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000573653529 364883034 /nfs/dbraw/zinc/88/30/34/364883034.db2.gz WPUJHUHXGBRUGF-BTTYYORXSA-N 2 1 242.407 2.262 20 0 BEADMP CC[N@@H+](CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000573653529 364883037 /nfs/dbraw/zinc/88/30/37/364883037.db2.gz WPUJHUHXGBRUGF-BTTYYORXSA-N 2 1 242.407 2.262 20 0 BEADMP CC[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)C(C)C ZINC000168322748 364911184 /nfs/dbraw/zinc/91/11/84/364911184.db2.gz GRLRTTIDAYGFMM-ZDUSSCGKSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2Cc3ccccc32)CC[N@H+]1C ZINC000247118866 541416376 /nfs/dbraw/zinc/41/63/76/541416376.db2.gz UJPRUQVFDISSBM-BPLDGKMQSA-N 2 1 244.382 2.399 20 0 BEADMP Cn1c[nH+]cc1CCC[NH+]1CCC(CF)CC1 ZINC000574051632 364977100 /nfs/dbraw/zinc/97/71/00/364977100.db2.gz VZXZHBGMFAFPGA-UHFFFAOYSA-N 2 1 239.338 2.034 20 0 BEADMP [NH3+]CCC[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000036732078 181379945 /nfs/dbraw/zinc/37/99/45/181379945.db2.gz DOVHTGOBZQAMGN-UHFFFAOYSA-N 2 1 222.307 2.139 20 0 BEADMP Cc1[nH+]cc(CNc2cc(C)cc(C)[nH+]2)n1C ZINC000574340006 365042725 /nfs/dbraw/zinc/04/27/25/365042725.db2.gz QPPGZAARTBLPIM-UHFFFAOYSA-N 2 1 230.315 2.352 20 0 BEADMP [NH3+]CC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000037712289 181397287 /nfs/dbraw/zinc/39/72/87/181397287.db2.gz XJRQEDXWQJRZMD-UHFFFAOYSA-N 2 1 218.344 2.261 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000444574280 193050545 /nfs/dbraw/zinc/05/05/45/193050545.db2.gz PHMHDRBPICPCIN-UHFFFAOYSA-N 2 1 212.381 2.450 20 0 BEADMP C[N@@H+](CCC[NH3+])CC1CCC(C)(C)CC1 ZINC000379890394 365337801 /nfs/dbraw/zinc/33/78/01/365337801.db2.gz ZZTZDFVIGXJQKP-UHFFFAOYSA-N 2 1 212.381 2.483 20 0 BEADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCCO1 ZINC000182264430 366879189 /nfs/dbraw/zinc/87/91/89/366879189.db2.gz OPIULKKYDMHDCR-IHRRRGAJSA-N 2 1 240.391 2.018 20 0 BEADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cccc(O)c1 ZINC000576016231 365452197 /nfs/dbraw/zinc/45/21/97/365452197.db2.gz NLAIXZSVWJXSPF-ZDUSSCGKSA-N 2 1 248.370 2.214 20 0 BEADMP COCC[C@@H](C)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000152687498 325792040 /nfs/dbraw/zinc/79/20/40/325792040.db2.gz RYPBJFRRCYVVIV-CYBMUJFWSA-N 2 1 242.407 2.266 20 0 BEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001642341685 1172344041 /nfs/dbraw/zinc/34/40/41/1172344041.db2.gz QMUIKDUAGMHZPM-GRYCIOLGSA-N 2 1 244.329 2.058 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001642341685 1172344046 /nfs/dbraw/zinc/34/40/46/1172344046.db2.gz QMUIKDUAGMHZPM-GRYCIOLGSA-N 2 1 244.329 2.058 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001642341685 1172344049 /nfs/dbraw/zinc/34/40/49/1172344049.db2.gz QMUIKDUAGMHZPM-GRYCIOLGSA-N 2 1 244.329 2.058 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001642341685 1172344054 /nfs/dbraw/zinc/34/40/54/1172344054.db2.gz QMUIKDUAGMHZPM-GRYCIOLGSA-N 2 1 244.329 2.058 20 0 BEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cnccc1C ZINC000580946203 367212907 /nfs/dbraw/zinc/21/29/07/367212907.db2.gz KQEFEAPEHMZXPP-LBPRGKRZSA-N 2 1 221.348 2.040 20 0 BEADMP CC(C)C[C@@H](N)C[N@H+]1C[C@@H](C)CC1(C)C ZINC000380576897 367245989 /nfs/dbraw/zinc/24/59/89/367245989.db2.gz VIWIKQWORONPNJ-NWDGAFQWSA-N 2 1 212.381 2.480 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCCOCc1ccccc1 ZINC000381950330 367474143 /nfs/dbraw/zinc/47/41/43/367474143.db2.gz BXUZRFSOGWQPGF-ZFWWWQNUSA-N 2 1 248.370 2.015 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCCOCc1ccccc1 ZINC000381950330 367474148 /nfs/dbraw/zinc/47/41/48/367474148.db2.gz BXUZRFSOGWQPGF-ZFWWWQNUSA-N 2 1 248.370 2.015 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000381833842 367460500 /nfs/dbraw/zinc/46/05/00/367460500.db2.gz GLFNUFFZEGEUEW-WOPDTQHZSA-N 2 1 246.345 2.352 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)o1 ZINC000382559910 367540222 /nfs/dbraw/zinc/54/02/22/367540222.db2.gz ROTJIGJBNPMLDK-LLVKDONJSA-N 2 1 222.332 2.381 20 0 BEADMP FC1(F)CC(C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000383153879 367602539 /nfs/dbraw/zinc/60/25/39/367602539.db2.gz OUHSFYGNBMBZMJ-UHFFFAOYSA-N 2 1 244.329 2.248 20 0 BEADMP COc1cc(C)ccc1[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000581601880 367625623 /nfs/dbraw/zinc/62/56/23/367625623.db2.gz SFBCUHWVBBRWAE-GFCCVEGCSA-N 2 1 248.370 2.406 20 0 BEADMP C[C@H](c1ccncc1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000383922999 367660251 /nfs/dbraw/zinc/66/02/51/367660251.db2.gz HXOXLXGVPCRTBH-MCIONIFRSA-N 2 1 247.386 2.463 20 0 BEADMP C[N@H+](Cc1cc(F)cc(Cl)c1)C1CC([NH3+])C1 ZINC000384886296 367750047 /nfs/dbraw/zinc/75/00/47/367750047.db2.gz SDUDOVGOZCOQNX-UHFFFAOYSA-N 2 1 242.725 2.401 20 0 BEADMP C[N@@H+](Cc1cc(F)cc(Cl)c1)C1CC([NH3+])C1 ZINC000384886296 367750051 /nfs/dbraw/zinc/75/00/51/367750051.db2.gz SDUDOVGOZCOQNX-UHFFFAOYSA-N 2 1 242.725 2.401 20 0 BEADMP CSc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1 ZINC000385099299 367790514 /nfs/dbraw/zinc/79/05/14/367790514.db2.gz ZJAOOPSWGNBIBF-UHFFFAOYSA-N 2 1 236.384 2.330 20 0 BEADMP Cc1cnccc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000385175751 367804623 /nfs/dbraw/zinc/80/46/23/367804623.db2.gz MTIKGMOLGJIFLM-AWEZNQCLSA-N 2 1 247.386 2.210 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000385894119 367878503 /nfs/dbraw/zinc/87/85/03/367878503.db2.gz ZWABDFYJTWZPFU-DGCLKSJQSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@H]([N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1)C1(C)CC1 ZINC000385481897 367835284 /nfs/dbraw/zinc/83/52/84/367835284.db2.gz YUGXCMWLKUZVIN-AGIUHOORSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H](CCc1ccco1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399187835 367894243 /nfs/dbraw/zinc/89/42/43/367894243.db2.gz OGOVMFNLNSLRDG-FRRDWIJNSA-N 2 1 236.359 2.331 20 0 BEADMP CC[C@H](C)[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)OC ZINC000386046308 367903574 /nfs/dbraw/zinc/90/35/74/367903574.db2.gz UJTVRSBOZBRCOD-FQUUOJAGSA-N 2 1 242.407 2.168 20 0 BEADMP C[C@@H]([NH2+]CCc1ccc(O)cc1)[C@H]1CCCC[NH2+]1 ZINC000386530129 367987633 /nfs/dbraw/zinc/98/76/33/367987633.db2.gz AJFSCJFAAATPLY-IUODEOHRSA-N 2 1 248.370 2.055 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCCSC1)[C@@H]1CCCC[NH2+]1 ZINC000386548920 367990990 /nfs/dbraw/zinc/99/09/90/367990990.db2.gz GMCNBOHMFLGPMO-TUAOUCFPSA-N 2 1 228.405 2.002 20 0 BEADMP C(=C/c1ccccc1)\C[NH2+]CCC[NH+]1CCC1 ZINC000581954093 368019692 /nfs/dbraw/zinc/01/96/92/368019692.db2.gz JKKQETREZUKEQU-RUDMXATFSA-N 2 1 230.355 2.385 20 0 BEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000582011243 368152484 /nfs/dbraw/zinc/15/24/84/368152484.db2.gz VBJMFNDPVVZURJ-CYBMUJFWSA-N 2 1 233.359 2.085 20 0 BEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](C2CC2)C1 ZINC000582011243 368152488 /nfs/dbraw/zinc/15/24/88/368152488.db2.gz VBJMFNDPVVZURJ-CYBMUJFWSA-N 2 1 233.359 2.085 20 0 BEADMP C[C@@H](C[N@@H+](C)C[C@@H]1CC[NH2+]C1)C(C)(C)C ZINC000399697689 368487039 /nfs/dbraw/zinc/48/70/39/368487039.db2.gz BLUJAYOHLSOWSY-NWDGAFQWSA-N 2 1 212.381 2.210 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(O)c1 ZINC000069754021 368757968 /nfs/dbraw/zinc/75/79/68/368757968.db2.gz LFXSRLCYVCZYMA-UHFFFAOYSA-N 2 1 245.326 2.077 20 0 BEADMP CC1(C)CCCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000086874055 368886808 /nfs/dbraw/zinc/88/68/08/368886808.db2.gz NOOYOACKWXCFOZ-RYUDHWBXSA-N 2 1 210.365 2.297 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c(C)n1 ZINC000631821613 368973200 /nfs/dbraw/zinc/97/32/00/368973200.db2.gz DGOPOYZBPSHHRH-NHYWBVRUSA-N 2 1 247.386 2.176 20 0 BEADMP Cc1occc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657090 368997020 /nfs/dbraw/zinc/99/70/20/368997020.db2.gz JMGIGJWNFJEXDN-ZDUSSCGKSA-N 2 1 236.359 2.410 20 0 BEADMP Cc1occc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623657090 368997028 /nfs/dbraw/zinc/99/70/28/368997028.db2.gz JMGIGJWNFJEXDN-ZDUSSCGKSA-N 2 1 236.359 2.410 20 0 BEADMP Cc1cnccc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623657449 368998115 /nfs/dbraw/zinc/99/81/15/368998115.db2.gz RCKIVWFEQBFODX-AWEZNQCLSA-N 2 1 247.386 2.212 20 0 BEADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]CC1(F)CC1 ZINC000309828648 326170514 /nfs/dbraw/zinc/17/05/14/326170514.db2.gz XYKOYWSPQRHBRB-LBPRGKRZSA-N 2 1 228.355 2.343 20 0 BEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]CC1(F)CC1 ZINC000309828648 326170516 /nfs/dbraw/zinc/17/05/16/326170516.db2.gz XYKOYWSPQRHBRB-LBPRGKRZSA-N 2 1 228.355 2.343 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(C)c1 ZINC000631837281 369096305 /nfs/dbraw/zinc/09/63/05/369096305.db2.gz QPGYCBVYQTXIHP-DZGCQCFKSA-N 2 1 232.371 2.330 20 0 BEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000459779698 203366317 /nfs/dbraw/zinc/36/63/17/203366317.db2.gz LNDYZWCONYDWEF-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2CC2)C1 ZINC000165293292 203383861 /nfs/dbraw/zinc/38/38/61/203383861.db2.gz VKQGXOPBVUMMTB-STQMWFEESA-N 2 1 224.392 2.495 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C2CC2)C1 ZINC000165265670 203384266 /nfs/dbraw/zinc/38/42/66/203384266.db2.gz XHSPPKIHNBZQIZ-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)OC[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459784001 203368733 /nfs/dbraw/zinc/36/87/33/203368733.db2.gz NSWPMSRNVOFYRG-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H]2CCSC2)C1 ZINC000459794363 203370650 /nfs/dbraw/zinc/37/06/50/203370650.db2.gz UMBJWLKKCMPLEN-QWHCGFSZSA-N 2 1 242.432 2.061 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H]2CCSC2)C1 ZINC000459794361 203370997 /nfs/dbraw/zinc/37/09/97/203370997.db2.gz UMBJWLKKCMPLEN-CHWSQXEVSA-N 2 1 242.432 2.061 20 0 BEADMP CO[C@H](C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C)C1CCCCC1 ZINC000631862880 369577687 /nfs/dbraw/zinc/57/76/87/369577687.db2.gz UYGMPYXXZSITJD-FPMFFAJLSA-N 2 1 240.391 2.003 20 0 BEADMP CO[C@H](C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C)C1CCCCC1 ZINC000631862880 369577694 /nfs/dbraw/zinc/57/76/94/369577694.db2.gz UYGMPYXXZSITJD-FPMFFAJLSA-N 2 1 240.391 2.003 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]C2CC(C)(C)C2)[C@H](C)C1 ZINC000309665783 370241014 /nfs/dbraw/zinc/24/10/14/370241014.db2.gz TZMFZDDBCJMYGT-DGCLKSJQSA-N 2 1 224.392 2.495 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C2CC(C)(C)C2)[C@H](C)C1 ZINC000309665787 370241446 /nfs/dbraw/zinc/24/14/46/370241446.db2.gz TZMFZDDBCJMYGT-YPMHNXCESA-N 2 1 224.392 2.495 20 0 BEADMP CC1CC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000621384335 370328273 /nfs/dbraw/zinc/32/82/73/370328273.db2.gz CCIHNBZXGNMDBN-NWINJMCUSA-N 2 1 222.376 2.249 20 0 BEADMP CC1CC(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000621770700 370513519 /nfs/dbraw/zinc/51/35/19/370513519.db2.gz WFDRFPFFVSSKDE-CLACGNGHSA-N 2 1 236.403 2.495 20 0 BEADMP Cc1cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)ccn1 ZINC000621774230 370520254 /nfs/dbraw/zinc/52/02/54/370520254.db2.gz OAAGMIVHBSKGMG-AWEZNQCLSA-N 2 1 235.375 2.195 20 0 BEADMP Cc1cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)ccn1 ZINC000621774230 370520258 /nfs/dbraw/zinc/52/02/58/370520258.db2.gz OAAGMIVHBSKGMG-AWEZNQCLSA-N 2 1 235.375 2.195 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC2(F)F)[C@H](C)C1 ZINC000621734733 370491761 /nfs/dbraw/zinc/49/17/61/370491761.db2.gz VBKKYYBHNVFCTK-UTUOFQBUSA-N 2 1 246.345 2.352 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC2(F)F)[C@@H](C)C1 ZINC000621734732 370491944 /nfs/dbraw/zinc/49/19/44/370491944.db2.gz VBKKYYBHNVFCTK-TUAOUCFPSA-N 2 1 246.345 2.352 20 0 BEADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCc1ccccc1)C2 ZINC000621779042 370528323 /nfs/dbraw/zinc/52/83/23/370528323.db2.gz YXGQNIDZNHJHRW-GJZGRUSLSA-N 2 1 230.355 2.042 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2F)[C@H](C)C1 ZINC000378761549 371019562 /nfs/dbraw/zinc/01/95/62/371019562.db2.gz KBFBNRPZMZVMDU-NDBYEHHHSA-N 2 1 228.355 2.197 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2F)[C@H](C)C1 ZINC000378761549 371019564 /nfs/dbraw/zinc/01/95/64/371019564.db2.gz KBFBNRPZMZVMDU-NDBYEHHHSA-N 2 1 228.355 2.197 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000623858810 371129286 /nfs/dbraw/zinc/12/92/86/371129286.db2.gz WOMFMHBBQFCXKY-ZIAGYGMSSA-N 2 1 242.407 2.264 20 0 BEADMP CCC(CC)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120452 371321104 /nfs/dbraw/zinc/32/11/04/371321104.db2.gz ZLROMBRVIKKLNY-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CC(C)[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120445 371321265 /nfs/dbraw/zinc/32/12/65/371321265.db2.gz ZKEXPWFGPDJRIO-CHWSQXEVSA-N 2 1 212.381 2.352 20 0 BEADMP CCC(CC)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120451 371321927 /nfs/dbraw/zinc/32/19/27/371321927.db2.gz ZLROMBRVIKKLNY-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP Cc1cc(CNCCC[N@H+](C)CC(C)C)on1 ZINC000631167662 372215590 /nfs/dbraw/zinc/21/55/90/372215590.db2.gz OZJCRGYDDVOMQP-UHFFFAOYSA-N 2 1 239.363 2.051 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCCC1CCCC1 ZINC000631860562 372659382 /nfs/dbraw/zinc/65/93/82/372659382.db2.gz KYCWPYIFAMUSQP-DGCLKSJQSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCCC1CCCC1 ZINC000631860562 372659389 /nfs/dbraw/zinc/65/93/89/372659389.db2.gz KYCWPYIFAMUSQP-DGCLKSJQSA-N 2 1 210.365 2.378 20 0 BEADMP Fc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631884251 372679387 /nfs/dbraw/zinc/67/93/87/372679387.db2.gz HJWLMMXEFNYJTR-ZFWWWQNUSA-N 2 1 248.345 2.400 20 0 BEADMP Fc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631884251 372679392 /nfs/dbraw/zinc/67/93/92/372679392.db2.gz HJWLMMXEFNYJTR-ZFWWWQNUSA-N 2 1 248.345 2.400 20 0 BEADMP Fc1ccccc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631884461 372679902 /nfs/dbraw/zinc/67/99/02/372679902.db2.gz JVIDHJCGAVCNIU-DOMZBBRYSA-N 2 1 248.345 2.400 20 0 BEADMP Fc1ccccc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631884461 372679910 /nfs/dbraw/zinc/67/99/10/372679910.db2.gz JVIDHJCGAVCNIU-DOMZBBRYSA-N 2 1 248.345 2.400 20 0 BEADMP CCC(CC)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890893 372685729 /nfs/dbraw/zinc/68/57/29/372685729.db2.gz UKTZBOFBJFCVSJ-KGLIPLIRSA-N 2 1 224.392 2.497 20 0 BEADMP CCC(CC)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890893 372685734 /nfs/dbraw/zinc/68/57/34/372685734.db2.gz UKTZBOFBJFCVSJ-KGLIPLIRSA-N 2 1 224.392 2.497 20 0 BEADMP CC[NH2+]CC[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000245225386 373198747 /nfs/dbraw/zinc/19/87/47/373198747.db2.gz UFUBHSPJVRCYBR-OLZOCXBDSA-N 2 1 210.365 2.108 20 0 BEADMP CC[NH2+]CC[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000245225386 373198750 /nfs/dbraw/zinc/19/87/50/373198750.db2.gz UFUBHSPJVRCYBR-OLZOCXBDSA-N 2 1 210.365 2.108 20 0 BEADMP CSC1(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459784601 206016458 /nfs/dbraw/zinc/01/64/58/206016458.db2.gz OCGVQQDXSREGOF-GFCCVEGCSA-N 2 1 242.432 2.204 20 0 BEADMP CSC1(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459784603 206016561 /nfs/dbraw/zinc/01/65/61/206016561.db2.gz OCGVQQDXSREGOF-LBPRGKRZSA-N 2 1 242.432 2.204 20 0 BEADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424381119 206039892 /nfs/dbraw/zinc/03/98/92/206039892.db2.gz YFRXKYBDNYMWRR-SPWCGHHHSA-N 2 1 248.345 2.341 20 0 BEADMP Cc1cncc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424369358 206039973 /nfs/dbraw/zinc/03/99/73/206039973.db2.gz BNHSBTFBSLNCPK-IACUBPJLSA-N 2 1 233.359 2.311 20 0 BEADMP CCCC[C@H](C)[N@@H+](C)CCc1cncn1C ZINC000459497239 206131275 /nfs/dbraw/zinc/13/12/75/206131275.db2.gz IWIXHTNUKXASGN-LBPRGKRZSA-N 2 1 223.364 2.473 20 0 BEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC2CC2)C1 ZINC000336668548 169078257 /nfs/dbraw/zinc/07/82/57/169078257.db2.gz PCQOUJZYDNKCQT-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC2CC2)C1 ZINC000336668548 169078259 /nfs/dbraw/zinc/07/82/59/169078259.db2.gz PCQOUJZYDNKCQT-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC000336668548 169078262 /nfs/dbraw/zinc/07/82/62/169078262.db2.gz PCQOUJZYDNKCQT-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C ZINC000309100200 169127323 /nfs/dbraw/zinc/12/73/23/169127323.db2.gz GJMNNIMNHSUSID-AVGNSLFASA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C ZINC000309100200 169127325 /nfs/dbraw/zinc/12/73/25/169127325.db2.gz GJMNNIMNHSUSID-AVGNSLFASA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@@H+](CC)CCNC(=[NH2+])Nc1ccccc1 ZINC000081781430 169120266 /nfs/dbraw/zinc/12/02/66/169120266.db2.gz LUGFDRNPAXZQRH-UHFFFAOYSA-N 2 1 248.374 2.355 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000356506775 169128235 /nfs/dbraw/zinc/12/82/35/169128235.db2.gz PLHXSDZPFQMTGO-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000356506775 169128237 /nfs/dbraw/zinc/12/82/37/169128237.db2.gz PLHXSDZPFQMTGO-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@@H+](CCC(C)C)C1CC[NH2+]CC1 ZINC000037653863 169139691 /nfs/dbraw/zinc/13/96/91/169139691.db2.gz BUAKKPGKURUIER-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[NH+](CCC)CCn1cc[nH+]c1C ZINC000270691709 169147906 /nfs/dbraw/zinc/14/79/06/169147906.db2.gz XVKMCEAJMNDZFQ-UHFFFAOYSA-N 2 1 209.337 2.314 20 0 BEADMP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2F)CC1 ZINC000340525039 169189808 /nfs/dbraw/zinc/18/98/08/169189808.db2.gz DMRJIJGSLQXOBW-OLZOCXBDSA-N 2 1 228.355 2.341 20 0 BEADMP c1c[nH]c([C@@H]2CCC[N@H+](CCOCC3CC3)C2)n1 ZINC000336732548 183327347 /nfs/dbraw/zinc/32/73/47/183327347.db2.gz SMDSEQURLSJECE-CYBMUJFWSA-N 2 1 249.358 2.016 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(C)C1 ZINC000336760900 169197441 /nfs/dbraw/zinc/19/74/41/169197441.db2.gz MCNZVUCVTMDKGR-WXRRBKDZSA-N 2 1 210.365 2.249 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C1CC(C)C1 ZINC000336760900 169197442 /nfs/dbraw/zinc/19/74/42/169197442.db2.gz MCNZVUCVTMDKGR-WXRRBKDZSA-N 2 1 210.365 2.249 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC2(SC)CC2)C1 ZINC000336775835 169206859 /nfs/dbraw/zinc/20/68/59/169206859.db2.gz CURNRDASJNVYAR-LBPRGKRZSA-N 2 1 242.432 2.204 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CC(C)(C)C2)C1 ZINC000336781279 169207602 /nfs/dbraw/zinc/20/76/02/169207602.db2.gz UFNCUIPRWCHFME-LBPRGKRZSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000309942947 169207934 /nfs/dbraw/zinc/20/79/34/169207934.db2.gz CGXZLYTYHQSSOW-CHWSQXEVSA-N 2 1 242.432 2.061 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)C(C)(C)OC)C1 ZINC000340197241 169208464 /nfs/dbraw/zinc/20/84/64/169208464.db2.gz DRSAVNJZBYNLOT-CHWSQXEVSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C(C)(C)OC)C1 ZINC000340197244 169209312 /nfs/dbraw/zinc/20/93/12/169209312.db2.gz DRSAVNJZBYNLOT-QWHCGFSZSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC2(C)C)C1 ZINC000309946591 169209472 /nfs/dbraw/zinc/20/94/72/169209472.db2.gz DOXOSQANLWWOOE-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cs1 ZINC000252672935 183354009 /nfs/dbraw/zinc/35/40/09/183354009.db2.gz FFZBLPQFCVXNSN-STQMWFEESA-N 2 1 236.384 2.465 20 0 BEADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cs1 ZINC000252672935 183354011 /nfs/dbraw/zinc/35/40/11/183354011.db2.gz FFZBLPQFCVXNSN-STQMWFEESA-N 2 1 236.384 2.465 20 0 BEADMP CCC[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000268846630 169369469 /nfs/dbraw/zinc/36/94/69/169369469.db2.gz JCRAPOQSVJVQNH-LLVKDONJSA-N 2 1 209.337 2.360 20 0 BEADMP CCC[C@@H](C)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000336656405 169358108 /nfs/dbraw/zinc/35/81/08/169358108.db2.gz LFMMKJKHLZKALP-CYBMUJFWSA-N 2 1 224.392 2.498 20 0 BEADMP CCC[C@@H]([NH2+]CCC[NH+](C)C)c1cccnc1 ZINC000184842722 169399551 /nfs/dbraw/zinc/39/95/51/169399551.db2.gz ANXLKGSLXBJZOO-CQSZACIVSA-N 2 1 235.375 2.464 20 0 BEADMP CCC[C@H](C)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000336712251 169481888 /nfs/dbraw/zinc/48/18/88/169481888.db2.gz UXNXDUWPIJSGEL-WUHRBBMRSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCS2)CC[N@H+]1C ZINC000224566552 134348596 /nfs/dbraw/zinc/34/85/96/134348596.db2.gz SPGWQVHLELUAQB-JHJVBQTASA-N 2 1 242.432 2.344 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000310010549 171058596 /nfs/dbraw/zinc/05/85/96/171058596.db2.gz ILIXYWFWFMLTJU-CHWSQXEVSA-N 2 1 221.348 2.360 20 0 BEADMP NC[C@H]1CCCC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000301020438 383848230 /nfs/dbraw/zinc/84/82/30/383848230.db2.gz ZSWOBXWADCFZCG-WDEREUQCSA-N 2 1 232.318 2.235 20 0 BEADMP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000301020438 383848242 /nfs/dbraw/zinc/84/82/42/383848242.db2.gz ZSWOBXWADCFZCG-WDEREUQCSA-N 2 1 232.318 2.235 20 0 BEADMP [NH3+]C[C@H]1CCCC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000301020438 383848250 /nfs/dbraw/zinc/84/82/50/383848250.db2.gz ZSWOBXWADCFZCG-WDEREUQCSA-N 2 1 232.318 2.235 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000069626871 383832358 /nfs/dbraw/zinc/83/23/58/383832358.db2.gz YWUQWTDDWTUTAH-GHMZBOCLSA-N 2 1 224.373 2.307 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000558258053 383889065 /nfs/dbraw/zinc/88/90/65/383889065.db2.gz OPXJLSIAMKPOIJ-OLZOCXBDSA-N 2 1 235.375 2.377 20 0 BEADMP CO[C@@H]1CCC[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)C1 ZINC000643543515 383983046 /nfs/dbraw/zinc/98/30/46/383983046.db2.gz VOULAYUESPJFMS-BFHYXJOUSA-N 2 1 240.391 2.051 20 0 BEADMP CO[C@@H]1CCC[C@@H]([NH2+][C@H](C[NH3+])C2CCCC2)C1 ZINC000643543517 383984004 /nfs/dbraw/zinc/98/40/04/383984004.db2.gz VOULAYUESPJFMS-MGPQQGTHSA-N 2 1 240.391 2.051 20 0 BEADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cccs1 ZINC000070534354 383935839 /nfs/dbraw/zinc/93/58/39/383935839.db2.gz IIZDIHPJDBSMKF-LLVKDONJSA-N 2 1 224.373 2.451 20 0 BEADMP C[NH2+][C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000070585202 383937037 /nfs/dbraw/zinc/93/70/37/383937037.db2.gz WYJHICVHZBTMOF-CYBMUJFWSA-N 2 1 210.365 2.251 20 0 BEADMP C[NH2+][C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000070585202 383937044 /nfs/dbraw/zinc/93/70/44/383937044.db2.gz WYJHICVHZBTMOF-CYBMUJFWSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccncc1 ZINC000037140965 383944362 /nfs/dbraw/zinc/94/43/62/383944362.db2.gz DHNWLYIMSYDYBY-GFCCVEGCSA-N 2 1 245.370 2.359 20 0 BEADMP CC(C)(C)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000072167904 384017913 /nfs/dbraw/zinc/01/79/13/384017913.db2.gz GLTCEZRXURMIEY-ZDUSSCGKSA-N 2 1 210.365 2.108 20 0 BEADMP CCC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564973529 384051879 /nfs/dbraw/zinc/05/18/79/384051879.db2.gz NRQKIIISPOKHPD-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000647257146 384053808 /nfs/dbraw/zinc/05/38/08/384053808.db2.gz SRYSWTQTRRVHGO-SGMGOOAPSA-N 2 1 245.370 2.426 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccnc1 ZINC000643547248 384033153 /nfs/dbraw/zinc/03/31/53/384033153.db2.gz BVWUSYHRGPYOLD-OCCSQVGLSA-N 2 1 245.370 2.407 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000309409125 384106834 /nfs/dbraw/zinc/10/68/34/384106834.db2.gz BMWYGPJTPRKVNW-ORHYLEIMSA-N 2 1 222.376 2.249 20 0 BEADMP COc1ccc([C@@H](C)[N@@H+](C)CCC[NH3+])cc1 ZINC000227744288 134392255 /nfs/dbraw/zinc/39/22/55/134392255.db2.gz ZKDIMNBAQPZYBP-LLVKDONJSA-N 2 1 222.332 2.037 20 0 BEADMP Clc1ccc(C[NH2+]C2CC[NH2+]CC2)s1 ZINC000070599778 384124736 /nfs/dbraw/zinc/12/47/36/384124736.db2.gz LVGINOLRTJCSTG-UHFFFAOYSA-N 2 1 230.764 2.243 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1 ZINC000041234449 384183695 /nfs/dbraw/zinc/18/36/95/384183695.db2.gz KFBDZKABLOWWAU-UHFFFAOYSA-N 2 1 220.360 2.460 20 0 BEADMP Cc1ccc(C)c(C[NH2+]C2CC[NH+](C)CC2)c1 ZINC000042210065 384205847 /nfs/dbraw/zinc/20/58/47/384205847.db2.gz LGCVESMGJKAWRT-UHFFFAOYSA-N 2 1 232.371 2.487 20 0 BEADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccsc1 ZINC000050338255 384193712 /nfs/dbraw/zinc/19/37/12/384193712.db2.gz NBQKENLXUXEPOU-SNVBAGLBSA-N 2 1 212.362 2.350 20 0 BEADMP CSCCC[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000173527580 384225214 /nfs/dbraw/zinc/22/52/14/384225214.db2.gz FXDIFAZOSYUKDS-NEPJUHHUSA-N 2 1 230.421 2.154 20 0 BEADMP CSCCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000173527580 384225218 /nfs/dbraw/zinc/22/52/18/384225218.db2.gz FXDIFAZOSYUKDS-NEPJUHHUSA-N 2 1 230.421 2.154 20 0 BEADMP CSCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000173527580 384225221 /nfs/dbraw/zinc/22/52/21/384225221.db2.gz FXDIFAZOSYUKDS-NEPJUHHUSA-N 2 1 230.421 2.154 20 0 BEADMP CSCCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173527580 384225225 /nfs/dbraw/zinc/22/52/25/384225225.db2.gz FXDIFAZOSYUKDS-NEPJUHHUSA-N 2 1 230.421 2.154 20 0 BEADMP CSCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000173527580 384225226 /nfs/dbraw/zinc/22/52/26/384225226.db2.gz FXDIFAZOSYUKDS-NEPJUHHUSA-N 2 1 230.421 2.154 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)C(C)(C)C ZINC000133313827 384243130 /nfs/dbraw/zinc/24/31/30/384243130.db2.gz NZVLCRZTCKFIEI-JTQLQIEISA-N 2 1 209.337 2.216 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000558700119 384252413 /nfs/dbraw/zinc/25/24/13/384252413.db2.gz PJECVSPMODDHMB-XQLPTFJDSA-N 2 1 236.403 2.497 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC000228471104 384252785 /nfs/dbraw/zinc/25/27/85/384252785.db2.gz WLFFXPIBHJRZDU-MGPQQGTHSA-N 2 1 222.376 2.236 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]21 ZINC000228473985 384257280 /nfs/dbraw/zinc/25/72/80/384257280.db2.gz BKFMLEFIOYCBQP-UXIGCNINSA-N 2 1 248.345 2.385 20 0 BEADMP C[N@@H+](CC1CCC1)C[C@H]1CCC[NH+](C)C1 ZINC000173791754 384262490 /nfs/dbraw/zinc/26/24/90/384262490.db2.gz MUWSTYFZMZBCRY-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP C[NH+](CC1CCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000173791754 384262496 /nfs/dbraw/zinc/26/24/96/384262496.db2.gz MUWSTYFZMZBCRY-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP C[NH+](CC1CCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000173791754 384262498 /nfs/dbraw/zinc/26/24/98/384262498.db2.gz MUWSTYFZMZBCRY-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000308805505 384306866 /nfs/dbraw/zinc/30/68/66/384306866.db2.gz AVLRAZSJEVCDLX-AVGNSLFASA-N 2 1 210.365 2.106 20 0 BEADMP CCCC[N@@H+](CC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000300056883 384285302 /nfs/dbraw/zinc/28/53/02/384285302.db2.gz VPMCHYHOFSVVDF-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP C[N@H+](CCC(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000083890667 384341753 /nfs/dbraw/zinc/34/17/53/384341753.db2.gz GLAKTXAXXXLCKO-SECBINFHSA-N 2 1 224.270 2.013 20 0 BEADMP C[N@@H+](CCC(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000083890667 384341760 /nfs/dbraw/zinc/34/17/60/384341760.db2.gz GLAKTXAXXXLCKO-SECBINFHSA-N 2 1 224.270 2.013 20 0 BEADMP CC1(C)SC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000335585293 384350038 /nfs/dbraw/zinc/35/00/38/384350038.db2.gz MQBNASUGIKJKMO-GFCCVEGCSA-N 2 1 240.416 2.097 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CC(C)C)[C@H](C)C1 ZINC000174778225 384361963 /nfs/dbraw/zinc/36/19/63/384361963.db2.gz LMYVGJUYUHMYBT-OLZOCXBDSA-N 2 1 212.381 2.305 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CC(C)C)[C@H](C)C1 ZINC000174778225 384361969 /nfs/dbraw/zinc/36/19/69/384361969.db2.gz LMYVGJUYUHMYBT-OLZOCXBDSA-N 2 1 212.381 2.305 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC(C)C)[C@H](C)C1 ZINC000174778225 384361973 /nfs/dbraw/zinc/36/19/73/384361973.db2.gz LMYVGJUYUHMYBT-OLZOCXBDSA-N 2 1 212.381 2.305 20 0 BEADMP CC(C)[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000084126068 384371094 /nfs/dbraw/zinc/37/10/94/384371094.db2.gz FNLXSRQDEQGQDY-CHWSQXEVSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1CCSC1 ZINC000300232773 384330877 /nfs/dbraw/zinc/33/08/77/384330877.db2.gz NAULQEGMBFCWCL-VXGBXAGGSA-N 2 1 230.421 2.045 20 0 BEADMP CC[C@@H](C)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335620313 384396908 /nfs/dbraw/zinc/39/69/08/384396908.db2.gz XHUTXWDLBGKIBQ-CHWSQXEVSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccsc1 ZINC000061361795 384411790 /nfs/dbraw/zinc/41/17/90/384411790.db2.gz OOKMNAAQHHTZPK-VIFPVBQESA-N 2 1 210.346 2.151 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647172090 384411797 /nfs/dbraw/zinc/41/17/97/384411797.db2.gz HYKTXDIRGKECAL-LLVKDONJSA-N 2 1 246.345 2.496 20 0 BEADMP Cc1ccoc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000135150881 384419151 /nfs/dbraw/zinc/41/91/51/384419151.db2.gz MYVGZZOLTHUVBG-CHWSQXEVSA-N 2 1 234.343 2.304 20 0 BEADMP Cc1ccncc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000135460035 384446419 /nfs/dbraw/zinc/44/64/19/384446419.db2.gz LCFXWDOPLGQHDS-CYBMUJFWSA-N 2 1 247.386 2.212 20 0 BEADMP C[NH+](C)[C@@H](C[NH2+]C1CCC(F)(F)CC1)C1CC1 ZINC000647173018 384427843 /nfs/dbraw/zinc/42/78/43/384427843.db2.gz SPYAVVNLQYVDDF-LBPRGKRZSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@]1(C[N@H+]2CCC[C@H]2c2ccccn2)CC[NH2+]C1 ZINC000647513932 384428596 /nfs/dbraw/zinc/42/85/96/384428596.db2.gz VFSUKTQOSUAQAF-GJZGRUSLSA-N 2 1 245.370 2.218 20 0 BEADMP CC[C@H](CSC)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000162374423 384433848 /nfs/dbraw/zinc/43/38/48/384433848.db2.gz VEVTZUAXZHWZBR-IJLUTSLNSA-N 2 1 230.421 2.200 20 0 BEADMP CC[C@H](CSC)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000162374423 384433854 /nfs/dbraw/zinc/43/38/54/384433854.db2.gz VEVTZUAXZHWZBR-IJLUTSLNSA-N 2 1 230.421 2.200 20 0 BEADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)CC(F)F ZINC000647227018 384437058 /nfs/dbraw/zinc/43/70/58/384437058.db2.gz MHPXLQQJUSHISC-SRVKXCTJSA-N 2 1 246.345 2.494 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CC=C(C)CC2)C1 ZINC000556816630 384502695 /nfs/dbraw/zinc/50/26/95/384502695.db2.gz FMIXTCSQHNRAQL-KBPBESRZSA-N 2 1 222.376 2.417 20 0 BEADMP CCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037485346 384506941 /nfs/dbraw/zinc/50/69/41/384506941.db2.gz KLFYBJYPRHYDQQ-NWDGAFQWSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCCCF)C[C@H]1C[NH3+] ZINC000397397274 384512348 /nfs/dbraw/zinc/51/23/48/384512348.db2.gz POKCESQEZLGYLH-JHJVBQTASA-N 2 1 230.371 2.431 20 0 BEADMP FC1(F)CC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000309484232 384542959 /nfs/dbraw/zinc/54/29/59/384542959.db2.gz FRNJNHCAKCDLGK-MWLCHTKSSA-N 2 1 230.302 2.001 20 0 BEADMP C1[C@H]2CCC[C@@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)[C@@H]12 ZINC000306073393 384543211 /nfs/dbraw/zinc/54/32/11/384543211.db2.gz DNFJOCUWIWKGKC-ARILJUKYSA-N 2 1 234.387 2.391 20 0 BEADMP FC1(F)CC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000309484233 384543940 /nfs/dbraw/zinc/54/39/40/384543940.db2.gz FRNJNHCAKCDLGK-ONGXEEELSA-N 2 1 230.302 2.001 20 0 BEADMP C[C@H]([NH2+]CCC[NH+](C)C)c1cccc(F)c1 ZINC000019959191 384562561 /nfs/dbraw/zinc/56/25/61/384562561.db2.gz BARJEAOTTXIZHT-NSHDSACASA-N 2 1 224.323 2.428 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000235786429 384577996 /nfs/dbraw/zinc/57/79/96/384577996.db2.gz LQWXVXDRWPCHBV-CQSZACIVSA-N 2 1 236.334 2.305 20 0 BEADMP C[C@@H](C[NH2+]C[C@H]1C[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000309744837 384579117 /nfs/dbraw/zinc/57/91/17/384579117.db2.gz IUCHEYXUIADLKP-YIYPIFLZSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H](C[NH2+]C[C@H]1C[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000309744837 384579123 /nfs/dbraw/zinc/57/91/23/384579123.db2.gz IUCHEYXUIADLKP-YIYPIFLZSA-N 2 1 224.392 2.495 20 0 BEADMP C(C1CCCCC1)[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643065746 384579765 /nfs/dbraw/zinc/57/97/65/384579765.db2.gz FRZCFKWPZVTQNQ-KGLIPLIRSA-N 2 1 222.376 2.251 20 0 BEADMP CCC(C)(C)CC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643066269 384580507 /nfs/dbraw/zinc/58/05/07/384580507.db2.gz MHZXYAJAPCAKDU-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643066269 384580510 /nfs/dbraw/zinc/58/05/10/384580510.db2.gz MHZXYAJAPCAKDU-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)(C)CCC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643065989 384581005 /nfs/dbraw/zinc/58/10/05/384581005.db2.gz JENPIFKLBFQMOD-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)(C)CCC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643065989 384581007 /nfs/dbraw/zinc/58/10/07/384581007.db2.gz JENPIFKLBFQMOD-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cncc([C@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000184261072 384586535 /nfs/dbraw/zinc/58/65/35/384586535.db2.gz GGDUDIGZGGWMLX-LBPRGKRZSA-N 2 1 233.359 2.135 20 0 BEADMP Cc1ccc(C[NH2+]CCn2cc[nH+]c2C)s1 ZINC000050225454 384608910 /nfs/dbraw/zinc/60/89/10/384608910.db2.gz XJCNQAJWSANHTL-UHFFFAOYSA-N 2 1 235.356 2.351 20 0 BEADMP Cc1cc(C[NH+]2CCC(C)([NH3+])CC2)ccc1F ZINC000647531422 384620575 /nfs/dbraw/zinc/62/05/75/384620575.db2.gz VIEXVFKURIYWAH-UHFFFAOYSA-N 2 1 236.334 2.447 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@@H]2CCCC2(F)F)CC1 ZINC000336144721 384623314 /nfs/dbraw/zinc/62/33/14/384623314.db2.gz PSFRIRNMXDTKKR-JTQLQIEISA-N 2 1 232.318 2.106 20 0 BEADMP CS[C@H]1CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000309843853 384664850 /nfs/dbraw/zinc/66/48/50/384664850.db2.gz FRZJGCDKIVRGRC-LLUNPGSJSA-N 2 1 240.416 2.095 20 0 BEADMP CC1(C)SC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000309815621 384642523 /nfs/dbraw/zinc/64/25/23/384642523.db2.gz VFHHABUJJJNSRB-UTUOFQBUSA-N 2 1 240.416 2.097 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000647534538 384645304 /nfs/dbraw/zinc/64/53/04/384645304.db2.gz QDUWHPUUIDELQL-CBBWQLFWSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@@H](C)C[N@@H+](CC)CC1CC[NH2+]CC1 ZINC000086437746 384651699 /nfs/dbraw/zinc/65/16/99/384651699.db2.gz OPIZXJZQNPVOLV-GFCCVEGCSA-N 2 1 212.381 2.354 20 0 BEADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044535835 384657134 /nfs/dbraw/zinc/65/71/34/384657134.db2.gz LFWHBDPHFJIDBB-CQSZACIVSA-N 2 1 248.370 2.127 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000044535217 384659734 /nfs/dbraw/zinc/65/97/34/384659734.db2.gz JQNCSLPKMWJRKT-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)C1([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000335911288 384678474 /nfs/dbraw/zinc/67/84/74/384678474.db2.gz IOMNDAUOESNFJA-RYUDHWBXSA-N 2 1 210.365 2.247 20 0 BEADMP CC(C)C1([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000335911288 384678482 /nfs/dbraw/zinc/67/84/82/384678482.db2.gz IOMNDAUOESNFJA-RYUDHWBXSA-N 2 1 210.365 2.247 20 0 BEADMP CCCCOCCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000359360696 384726188 /nfs/dbraw/zinc/72/61/88/384726188.db2.gz HVDWNJUTYINRMG-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@@H](CC[NH+](C)C)Nc1cc[nH+]cc1Cl ZINC000086831269 384697753 /nfs/dbraw/zinc/69/77/53/384697753.db2.gz RTVXVXVBSBYKFG-VIFPVBQESA-N 2 1 227.739 2.487 20 0 BEADMP C[NH+]1CCC(Nc2cc[nH+]cc2Cl)CC1 ZINC000086833037 384701791 /nfs/dbraw/zinc/70/17/91/384701791.db2.gz HPCVDHLWEZMSJL-UHFFFAOYSA-N 2 1 225.723 2.241 20 0 BEADMP CC(C)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543250 384712270 /nfs/dbraw/zinc/71/22/70/384712270.db2.gz KAALCUQFAKAUCO-KGLIPLIRSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543426 384712322 /nfs/dbraw/zinc/71/23/22/384712322.db2.gz NFWZQPWIANTLLS-CBBWQLFWSA-N 2 1 236.403 2.354 20 0 BEADMP CCC1CC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000310038772 384714511 /nfs/dbraw/zinc/71/45/11/384714511.db2.gz WKGRGCHJASXIPJ-CLRIEMFWSA-N 2 1 222.376 2.391 20 0 BEADMP CCC1CC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000310038772 384714517 /nfs/dbraw/zinc/71/45/17/384714517.db2.gz WKGRGCHJASXIPJ-CLRIEMFWSA-N 2 1 222.376 2.391 20 0 BEADMP C(C1CC1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544065 384716835 /nfs/dbraw/zinc/71/68/35/384716835.db2.gz VZNMMOGASAABMA-KBPBESRZSA-N 2 1 222.376 2.108 20 0 BEADMP CCCC[N@@H+](C)CC1CC[NH+](CC)CC1 ZINC000104946944 384741270 /nfs/dbraw/zinc/74/12/70/384741270.db2.gz XDBZXABOZIMTDV-UHFFFAOYSA-N 2 1 212.381 2.450 20 0 BEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCC(C)(C)C ZINC000300958963 384742972 /nfs/dbraw/zinc/74/29/72/384742972.db2.gz YFAGVUXRAUIKNV-VXGBXAGGSA-N 2 1 212.381 2.482 20 0 BEADMP CC[NH+]1CCC(N(C)c2cc(C)[nH+]c(C)n2)CC1 ZINC000356464641 384823966 /nfs/dbraw/zinc/82/39/66/384823966.db2.gz XLXVFMDCVHCZCG-UHFFFAOYSA-N 2 1 248.374 2.014 20 0 BEADMP Cc1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000107777981 384781676 /nfs/dbraw/zinc/78/16/76/384781676.db2.gz UAPBZOBJPOMNKY-CYBMUJFWSA-N 2 1 206.333 2.068 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(Cl)cc1 ZINC000107787149 384783659 /nfs/dbraw/zinc/78/36/59/384783659.db2.gz VKZOYLISINEYOH-LLVKDONJSA-N 2 1 212.724 2.167 20 0 BEADMP Cc1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000107777977 384784012 /nfs/dbraw/zinc/78/40/12/384784012.db2.gz UAPBZOBJPOMNKY-ZDUSSCGKSA-N 2 1 206.333 2.068 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(Cl)cc1 ZINC000107787111 384784289 /nfs/dbraw/zinc/78/42/89/384784289.db2.gz SEKOGVWHOUJEME-LBPRGKRZSA-N 2 1 226.751 2.413 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000423259494 384785099 /nfs/dbraw/zinc/78/50/99/384785099.db2.gz DXQAEZZBILPIRZ-JHJVBQTASA-N 2 1 210.365 2.138 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000423297078 384787404 /nfs/dbraw/zinc/78/74/04/384787404.db2.gz IQRDURJDANMXHL-JHJVBQTASA-N 2 1 210.365 2.282 20 0 BEADMP CCCCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000310037941 384805245 /nfs/dbraw/zinc/80/52/45/384805245.db2.gz VPPIKSVQJCHISF-UHFFFAOYSA-N 2 1 241.404 2.485 20 0 BEADMP C[N@H+](CC[NH3+])CCCc1ccc(Cl)cc1 ZINC000077340629 384875432 /nfs/dbraw/zinc/87/54/32/384875432.db2.gz JZNKLPVTSOPVNQ-UHFFFAOYSA-N 2 1 226.751 2.163 20 0 BEADMP C[N@@H+](CC[NH3+])CCCc1ccc(Cl)cc1 ZINC000077340629 384875438 /nfs/dbraw/zinc/87/54/38/384875438.db2.gz JZNKLPVTSOPVNQ-UHFFFAOYSA-N 2 1 226.751 2.163 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)s1 ZINC000335263312 384880674 /nfs/dbraw/zinc/88/06/74/384880674.db2.gz UWRYLOIOKGWHIP-ZWNOBZJWSA-N 2 1 238.400 2.473 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCc1ccccc1 ZINC000049708922 384897783 /nfs/dbraw/zinc/89/77/83/384897783.db2.gz NSBXMYHTQVVHAT-TZMCWYRMSA-N 2 1 218.344 2.041 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)C1(C)CC1 ZINC000127639492 384908146 /nfs/dbraw/zinc/90/81/46/384908146.db2.gz ZSASOVXGKXGCHO-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000251749439 384915829 /nfs/dbraw/zinc/91/58/29/384915829.db2.gz JQNCSLPKMWJRKT-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)[C@H]1CCOC1 ZINC000310236588 384917169 /nfs/dbraw/zinc/91/71/69/384917169.db2.gz AJENJELJLLXGHH-RDBSUJKOSA-N 2 1 242.407 2.120 20 0 BEADMP CC[C@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)[C@H]1CCOC1 ZINC000310236588 384917176 /nfs/dbraw/zinc/91/71/76/384917176.db2.gz AJENJELJLLXGHH-RDBSUJKOSA-N 2 1 242.407 2.120 20 0 BEADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])O1 ZINC000404274803 384966255 /nfs/dbraw/zinc/96/62/55/384966255.db2.gz AHFGYRZBYAPEPR-AAVRWANBSA-N 2 1 240.391 2.003 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058041097 384979063 /nfs/dbraw/zinc/97/90/63/384979063.db2.gz IMUMZPSUQCFIOJ-GXTWGEPZSA-N 2 1 218.344 2.246 20 0 BEADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1Cc2ccccc2C1 ZINC000226436965 385021831 /nfs/dbraw/zinc/02/18/31/385021831.db2.gz VMKRNJATFJZCIC-CYBMUJFWSA-N 2 1 244.382 2.085 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)c2cccnc2)C1 ZINC000226330429 384982089 /nfs/dbraw/zinc/98/20/89/384982089.db2.gz VFUWQVSYVZGFEA-OBJOEFQTSA-N 2 1 233.359 2.202 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccoc1 ZINC000094868875 384986620 /nfs/dbraw/zinc/98/66/20/384986620.db2.gz JAJYPCRNVXSYEQ-VXGBXAGGSA-N 2 1 234.343 2.415 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccoc1 ZINC000094868875 384986624 /nfs/dbraw/zinc/98/66/24/384986624.db2.gz JAJYPCRNVXSYEQ-VXGBXAGGSA-N 2 1 234.343 2.415 20 0 BEADMP CC(C)[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000308700144 384999925 /nfs/dbraw/zinc/99/99/25/384999925.db2.gz URXCLIJHYGLYOJ-NEPJUHHUSA-N 2 1 200.370 2.349 20 0 BEADMP CC(C)[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000308700144 384999932 /nfs/dbraw/zinc/99/99/32/384999932.db2.gz URXCLIJHYGLYOJ-NEPJUHHUSA-N 2 1 200.370 2.349 20 0 BEADMP Cc1ccsc1C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000259171532 384964567 /nfs/dbraw/zinc/96/45/67/384964567.db2.gz YRCAAKDTXCKJOK-LBPRGKRZSA-N 2 1 238.400 2.488 20 0 BEADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000404830280 385087508 /nfs/dbraw/zinc/08/75/08/385087508.db2.gz XRTHZUHEIJRKGX-RYUDHWBXSA-N 2 1 240.297 2.180 20 0 BEADMP Cc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cn1 ZINC000062051110 385152534 /nfs/dbraw/zinc/15/25/34/385152534.db2.gz BXYYLUDSKQGLCC-UHFFFAOYSA-N 2 1 247.386 2.352 20 0 BEADMP C[C@H](C[NH2+][C@H](C)c1cccnc1)C[NH+]1CCCC1 ZINC000062077897 385153549 /nfs/dbraw/zinc/15/35/49/385153549.db2.gz MOYWRGJGQQFTLS-ZIAGYGMSSA-N 2 1 247.386 2.464 20 0 BEADMP C[C@H](C[NH2+][C@@H](C)c1cccnc1)C[NH+]1CCCC1 ZINC000062077892 385154347 /nfs/dbraw/zinc/15/43/47/385154347.db2.gz MOYWRGJGQQFTLS-KGLIPLIRSA-N 2 1 247.386 2.464 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C(C)C)C2CC2)C1 ZINC000222052886 385173785 /nfs/dbraw/zinc/17/37/85/385173785.db2.gz ILCPYOIJGLQQJT-OCCSQVGLSA-N 2 1 224.392 2.352 20 0 BEADMP CC[N@@H+](C)CCNc1cc[nH+]c(C)c1Cl ZINC000308849046 385209590 /nfs/dbraw/zinc/20/95/90/385209590.db2.gz MGWZXKDYOJZLBA-UHFFFAOYSA-N 2 1 227.739 2.407 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000252714391 385221210 /nfs/dbraw/zinc/22/12/10/385221210.db2.gz RVVIQCLXNZALAC-NDBYEHHHSA-N 2 1 242.432 2.200 20 0 BEADMP C[C@H]1C[C@@H]1C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000449781101 385223668 /nfs/dbraw/zinc/22/36/68/385223668.db2.gz ZJANKWUNBSAPOM-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CC[N@@H+](CC2CCCCC2)C[C@@H]1C[NH3+] ZINC000164647140 385225863 /nfs/dbraw/zinc/22/58/63/385225863.db2.gz OWAHAIVCQBLUKP-OCCSQVGLSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCCC12CCCC2 ZINC000308882329 385235994 /nfs/dbraw/zinc/23/59/94/385235994.db2.gz DLGZFHSEOREELO-NEPJUHHUSA-N 2 1 210.365 2.426 20 0 BEADMP CCC[C@H](C)[N@H+](C)CC[NH2+]C(C)(C)C ZINC000044381006 385203167 /nfs/dbraw/zinc/20/31/67/385203167.db2.gz PQLKKVSEWJLFIF-NSHDSACASA-N 2 1 200.370 2.495 20 0 BEADMP CCC[C@H](C)[N@@H+](C)CC[NH2+]C(C)(C)C ZINC000044381006 385203172 /nfs/dbraw/zinc/20/31/72/385203172.db2.gz PQLKKVSEWJLFIF-NSHDSACASA-N 2 1 200.370 2.495 20 0 BEADMP c1cn(CC[N@H+]2CCCc3ccccc3C2)cn1 ZINC000131243272 385321341 /nfs/dbraw/zinc/32/13/41/385321341.db2.gz UWVQUVJQUZHLEW-UHFFFAOYSA-N 2 1 241.338 2.332 20 0 BEADMP CC[C@H]1CCC[C@H](C[N@H+]2CCCNCC2)C1 ZINC000346679774 385261018 /nfs/dbraw/zinc/26/10/18/385261018.db2.gz ATFAJTWAGNAPFJ-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000252731606 385264880 /nfs/dbraw/zinc/26/48/80/385264880.db2.gz QTHTYBOOMWTMBM-XUXIUFHCSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000252731606 385264886 /nfs/dbraw/zinc/26/48/86/385264886.db2.gz QTHTYBOOMWTMBM-XUXIUFHCSA-N 2 1 224.392 2.495 20 0 BEADMP Cc1cc(C)cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000228201046 385362030 /nfs/dbraw/zinc/36/20/30/385362030.db2.gz RBLQPORCPZTZAD-ZFWWWQNUSA-N 2 1 232.371 2.473 20 0 BEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CC1(C)C ZINC000309017186 385371387 /nfs/dbraw/zinc/37/13/87/385371387.db2.gz UWRHPWDTHAZJAK-CMPLNLGQSA-N 2 1 210.365 2.105 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(SC)CC2)[C@H](C)C1 ZINC000193824414 385414262 /nfs/dbraw/zinc/41/42/62/385414262.db2.gz AUXBKSGEKVYTBZ-NEPJUHHUSA-N 2 1 242.432 2.202 20 0 BEADMP Cc1ccsc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194535858 385439864 /nfs/dbraw/zinc/43/98/64/385439864.db2.gz ZYIHBNLCDBEBPZ-TXEJJXNPSA-N 2 1 236.384 2.050 20 0 BEADMP Cc1ccsc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194535858 385439870 /nfs/dbraw/zinc/43/98/70/385439870.db2.gz ZYIHBNLCDBEBPZ-TXEJJXNPSA-N 2 1 236.384 2.050 20 0 BEADMP CC(C)[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156369435 385448902 /nfs/dbraw/zinc/44/89/02/385448902.db2.gz YKSVDSMVMMQRMJ-FRRDWIJNSA-N 2 1 212.381 2.351 20 0 BEADMP COCCC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000183934466 385483772 /nfs/dbraw/zinc/48/37/72/385483772.db2.gz GNTQCZBBKZQHNI-OLZOCXBDSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)(C)CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000309339100 385537977 /nfs/dbraw/zinc/53/79/77/385537977.db2.gz KGRPNFROILTXGK-CHWSQXEVSA-N 2 1 224.392 2.354 20 0 BEADMP CC(C)(C)CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309339102 385539165 /nfs/dbraw/zinc/53/91/65/385539165.db2.gz KGRPNFROILTXGK-OLZOCXBDSA-N 2 1 224.392 2.354 20 0 BEADMP [NH3+][C@H]1CCC[C@@H](Nc2cc[nH+]c3ccsc32)C1 ZINC000643030148 385525742 /nfs/dbraw/zinc/52/57/42/385525742.db2.gz CNVCGPMZTWOERR-VHSXEESVSA-N 2 1 247.367 2.400 20 0 BEADMP c1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996690 385594835 /nfs/dbraw/zinc/59/48/35/385594835.db2.gz MCCRATQBGIGFLN-HUUCEWRRSA-N 2 1 230.355 2.403 20 0 BEADMP c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996690 385594839 /nfs/dbraw/zinc/59/48/39/385594839.db2.gz MCCRATQBGIGFLN-HUUCEWRRSA-N 2 1 230.355 2.403 20 0 BEADMP c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996690 385594843 /nfs/dbraw/zinc/59/48/43/385594843.db2.gz MCCRATQBGIGFLN-HUUCEWRRSA-N 2 1 230.355 2.403 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCCc2ccccn2)CC[N@H+]1C ZINC000181493590 385580663 /nfs/dbraw/zinc/58/06/63/385580663.db2.gz CUCFFOIDOBUUEB-UKRRQHHQSA-N 2 1 247.386 2.087 20 0 BEADMP C[N@H+](CCc1ccncc1)CC[C@@H]1CCC[NH+]1C ZINC000181497620 385581284 /nfs/dbraw/zinc/58/12/84/385581284.db2.gz VGKNTIKTAWIGSF-HNNXBMFYSA-N 2 1 247.386 2.040 20 0 BEADMP C[NH+](CCc1ccncc1)CC[C@@H]1CCC[N@@H+]1C ZINC000181497620 385581285 /nfs/dbraw/zinc/58/12/85/385581285.db2.gz VGKNTIKTAWIGSF-HNNXBMFYSA-N 2 1 247.386 2.040 20 0 BEADMP C[NH+](CCc1ccncc1)CC[C@@H]1CCC[N@H+]1C ZINC000181497620 385581286 /nfs/dbraw/zinc/58/12/86/385581286.db2.gz VGKNTIKTAWIGSF-HNNXBMFYSA-N 2 1 247.386 2.040 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccccc1 ZINC000107785210 385583596 /nfs/dbraw/zinc/58/35/96/385583596.db2.gz YPCNYXVGEVQRDO-YPMHNXCESA-N 2 1 206.333 2.321 20 0 BEADMP COCCC[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000309450770 385584971 /nfs/dbraw/zinc/58/49/71/385584971.db2.gz LBPZJGPMESWYDS-CYBMUJFWSA-N 2 1 230.396 2.121 20 0 BEADMP Cc1sccc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000293477009 385615701 /nfs/dbraw/zinc/61/57/01/385615701.db2.gz FKXJRGUKLDSOBD-SNVBAGLBSA-N 2 1 226.389 2.486 20 0 BEADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414849109 385617913 /nfs/dbraw/zinc/61/79/13/385617913.db2.gz QQEPOBCOKWAKKC-DGCLKSJQSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414849114 385620211 /nfs/dbraw/zinc/62/02/11/385620211.db2.gz QQEPOBCOKWAKKC-YPMHNXCESA-N 2 1 236.334 2.098 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)CC[N@@H+]1C ZINC000309506164 385642452 /nfs/dbraw/zinc/64/24/52/385642452.db2.gz VYDBCQQQKYKDHO-ZZVYKPCYSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)CC[N@H+]1C ZINC000309506164 385642457 /nfs/dbraw/zinc/64/24/57/385642457.db2.gz VYDBCQQQKYKDHO-ZZVYKPCYSA-N 2 1 222.376 2.247 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C)CC)C1 ZINC000093064967 385651055 /nfs/dbraw/zinc/65/10/55/385651055.db2.gz XAFHMGNHQRVWDG-STQMWFEESA-N 2 1 212.381 2.354 20 0 BEADMP CCS[C@H]1CCCC[N@@H+](CCC[NH2+]C)C1 ZINC000309540730 385673609 /nfs/dbraw/zinc/67/36/09/385673609.db2.gz YFCLINMSDPHISE-LBPRGKRZSA-N 2 1 230.421 2.204 20 0 BEADMP Cc1ccc(C[NH2+][C@@H](C[NH3+])CC(C)C)cc1 ZINC000414852715 385679143 /nfs/dbraw/zinc/67/91/43/385679143.db2.gz RIIJKWIHORNPKS-CQSZACIVSA-N 2 1 220.360 2.458 20 0 BEADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C[C@H]1C[C@H]1C ZINC000309543199 385679119 /nfs/dbraw/zinc/67/91/19/385679119.db2.gz GGFNPRGMBSLKEU-YIYPIFLZSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C[C@H]1C[C@H]1C ZINC000309543199 385679123 /nfs/dbraw/zinc/67/91/23/385679123.db2.gz GGFNPRGMBSLKEU-YIYPIFLZSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cncs1 ZINC000309561755 385699411 /nfs/dbraw/zinc/69/94/11/385699411.db2.gz LEWCCBSVPGTQPC-SNVBAGLBSA-N 2 1 237.372 2.056 20 0 BEADMP CC[NH2+]CC[NH2+]CC(CC)(CC)CC ZINC000391343567 385715221 /nfs/dbraw/zinc/71/52/21/385715221.db2.gz SKRLQSJSXDPBBA-UHFFFAOYSA-N 2 1 200.370 2.402 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000488291036 385734045 /nfs/dbraw/zinc/73/40/45/385734045.db2.gz GVRPXNXETTZCDX-HZSPNIEDSA-N 2 1 222.376 2.060 20 0 BEADMP C[C@@H]([NH2+]Cc1ccccc1F)[C@@H]1CCC[NH2+]C1 ZINC000414860405 385747554 /nfs/dbraw/zinc/74/75/54/385747554.db2.gz VGUTWYRWIGUHMS-VXGBXAGGSA-N 2 1 236.334 2.303 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414944965 385786410 /nfs/dbraw/zinc/78/64/10/385786410.db2.gz OXOOBEMRXSSOGI-CFVMTHIKSA-N 2 1 232.371 2.434 20 0 BEADMP C[NH2+]CCC[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000414862530 385750242 /nfs/dbraw/zinc/75/02/42/385750242.db2.gz VIFVCDNGYGZECR-UHFFFAOYSA-N 2 1 241.404 2.140 20 0 BEADMP C1CC1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000414862701 385752786 /nfs/dbraw/zinc/75/27/86/385752786.db2.gz HLQWSKKLQKDFLP-HZSPNIEDSA-N 2 1 222.376 2.297 20 0 BEADMP CSCC[C@@H](C)[N@H+](C)CCn1cc[nH+]c1C ZINC000270865610 385753784 /nfs/dbraw/zinc/75/37/84/385753784.db2.gz KTMNVXBINWCWBT-LLVKDONJSA-N 2 1 241.404 2.265 20 0 BEADMP CSCC[C@@H](C)[N@@H+](C)CCn1cc[nH+]c1C ZINC000270865610 385753789 /nfs/dbraw/zinc/75/37/89/385753789.db2.gz KTMNVXBINWCWBT-LLVKDONJSA-N 2 1 241.404 2.265 20 0 BEADMP Cc1c[nH+]ccc1NCC1=CC[N@@H+](C)CC1 ZINC000309653276 385772322 /nfs/dbraw/zinc/77/23/22/385772322.db2.gz OXAYLFALOWFIQU-UHFFFAOYSA-N 2 1 217.316 2.064 20 0 BEADMP Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414866567 385779793 /nfs/dbraw/zinc/77/97/93/385779793.db2.gz FMROAIZAFZFDKI-HIFRSBDPSA-N 2 1 232.371 2.268 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCC1(C)C ZINC000336656477 385783480 /nfs/dbraw/zinc/78/34/80/385783480.db2.gz AOHOUXLORBUTFO-LBPRGKRZSA-N 2 1 221.348 2.131 20 0 BEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCF ZINC000309669482 385784871 /nfs/dbraw/zinc/78/48/71/385784871.db2.gz VKFYSKKSTUKEFL-STQMWFEESA-N 2 1 230.371 2.446 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000052334409 385726535 /nfs/dbraw/zinc/72/65/35/385726535.db2.gz KOJHNAHKRIHGGB-YPMHNXCESA-N 2 1 210.365 2.297 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](CC)OC)C1 ZINC000412980645 385817177 /nfs/dbraw/zinc/81/71/77/385817177.db2.gz YGWANZQDIVXTOH-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](CC)OC)C1 ZINC000412980645 385817183 /nfs/dbraw/zinc/81/71/83/385817183.db2.gz YGWANZQDIVXTOH-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](CC)OC)C1 ZINC000412980644 385818358 /nfs/dbraw/zinc/81/83/58/385818358.db2.gz YGWANZQDIVXTOH-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](CC)OC)C1 ZINC000412980644 385818360 /nfs/dbraw/zinc/81/83/60/385818360.db2.gz YGWANZQDIVXTOH-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)CCCC(F)(F)F ZINC000414948791 385820574 /nfs/dbraw/zinc/82/05/74/385820574.db2.gz YBOMVOGMCMAVRR-YUMQZZPRSA-N 2 1 212.259 2.044 20 0 BEADMP C[C@@H](CNc1cc[nH+]cc1Cl)C[NH+](C)C ZINC000291929532 385835094 /nfs/dbraw/zinc/83/50/94/385835094.db2.gz SBBHGMZWEUDCIG-VIFPVBQESA-N 2 1 227.739 2.345 20 0 BEADMP C[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1c[nH+]ccc1N ZINC000647804394 385841401 /nfs/dbraw/zinc/84/14/01/385841401.db2.gz PGVCVUYYOXHHGQ-SBMIAAHKSA-N 2 1 237.372 2.039 20 0 BEADMP CCC[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)OC ZINC000638115762 385851482 /nfs/dbraw/zinc/85/14/82/385851482.db2.gz FYYOFSZPRHDMAM-MELADBBJSA-N 2 1 242.407 2.216 20 0 BEADMP CCC[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)OC ZINC000638115762 385851486 /nfs/dbraw/zinc/85/14/86/385851486.db2.gz FYYOFSZPRHDMAM-MELADBBJSA-N 2 1 242.407 2.216 20 0 BEADMP CCC[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC000638115762 385851488 /nfs/dbraw/zinc/85/14/88/385851488.db2.gz FYYOFSZPRHDMAM-MELADBBJSA-N 2 1 242.407 2.216 20 0 BEADMP CCC[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)OC ZINC000638115762 385851492 /nfs/dbraw/zinc/85/14/92/385851492.db2.gz FYYOFSZPRHDMAM-MELADBBJSA-N 2 1 242.407 2.216 20 0 BEADMP C1CC1[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414871791 385859157 /nfs/dbraw/zinc/85/91/57/385859157.db2.gz VOOKHAYETJCTOK-RDBSUJKOSA-N 2 1 222.376 2.297 20 0 BEADMP CC[C@@H](C[NH2+]C[C@H]1CCSC1)[NH+]1CCCC1 ZINC000309687729 385788715 /nfs/dbraw/zinc/78/87/15/385788715.db2.gz HWBDGFSFQUWFKV-OLZOCXBDSA-N 2 1 242.432 2.204 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000414964206 385901259 /nfs/dbraw/zinc/90/12/59/385901259.db2.gz YJINIMWHHBELFC-PYJNHQTQSA-N 2 1 222.376 2.295 20 0 BEADMP C[C@@H]([NH2+]C1CCCC1)c1c[nH+]ccc1N ZINC000335037706 385929495 /nfs/dbraw/zinc/92/94/95/385929495.db2.gz DYIVXHPTSPYNHL-SECBINFHSA-N 2 1 205.305 2.087 20 0 BEADMP Cc1ncc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])s1 ZINC000335039898 385930350 /nfs/dbraw/zinc/93/03/50/385930350.db2.gz NFWDLIYTQWXGFS-NEPJUHHUSA-N 2 1 239.388 2.201 20 0 BEADMP CCOc1ccccc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414966959 385925923 /nfs/dbraw/zinc/92/59/23/385925923.db2.gz XCCPGDKXWOUVCW-JSGCOSHPSA-N 2 1 248.370 2.173 20 0 BEADMP CCCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000335038400 385927588 /nfs/dbraw/zinc/92/75/88/385927588.db2.gz QALSWPDQFPIQHP-CYBMUJFWSA-N 2 1 210.365 2.204 20 0 BEADMP CCCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000335038400 385927599 /nfs/dbraw/zinc/92/75/99/385927599.db2.gz QALSWPDQFPIQHP-CYBMUJFWSA-N 2 1 210.365 2.204 20 0 BEADMP CCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000335038400 385927603 /nfs/dbraw/zinc/92/76/03/385927603.db2.gz QALSWPDQFPIQHP-CYBMUJFWSA-N 2 1 210.365 2.204 20 0 BEADMP C[C@H](C[NH3+])C[NH2+]Cc1ccc(F)cc1Cl ZINC000414873251 385872898 /nfs/dbraw/zinc/87/28/98/385872898.db2.gz GVFRBTGEESYTOV-MRVPVSSYSA-N 2 1 230.714 2.164 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000338005003 385877573 /nfs/dbraw/zinc/87/75/73/385877573.db2.gz ZNRRDDBGKUAQQH-ZIAGYGMSSA-N 2 1 233.359 2.360 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@](C)(CC)OC)C1 ZINC000638136051 385878805 /nfs/dbraw/zinc/87/88/05/385878805.db2.gz WRBKHOVNMJTZTO-ZIAGYGMSSA-N 2 1 242.407 2.075 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@](C)(CC)OC)C1 ZINC000638136046 385879577 /nfs/dbraw/zinc/87/95/77/385879577.db2.gz WRBKHOVNMJTZTO-KBPBESRZSA-N 2 1 242.407 2.075 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCC1(C)C)c1c[nH+]ccc1N ZINC000335018276 385975698 /nfs/dbraw/zinc/97/56/98/385975698.db2.gz RXSCVCHUSSOYSI-JOYOIKCWSA-N 2 1 219.332 2.333 20 0 BEADMP CC[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000336747538 385978065 /nfs/dbraw/zinc/97/80/65/385978065.db2.gz BYJZMLXFUHNVLC-SECBINFHSA-N 2 1 227.377 2.093 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc(C)ccn1 ZINC000285958538 385980944 /nfs/dbraw/zinc/98/09/44/385980944.db2.gz GOGVCLBETDVSBX-GFCCVEGCSA-N 2 1 244.342 2.246 20 0 BEADMP CCSCC[C@@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000336748257 385983083 /nfs/dbraw/zinc/98/30/83/385983083.db2.gz DBSNJROSYCTFSE-SNVBAGLBSA-N 2 1 218.410 2.187 20 0 BEADMP CCOC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000189346800 385983743 /nfs/dbraw/zinc/98/37/43/385983743.db2.gz DSPFWPZGWGXGBQ-RDBSUJKOSA-N 2 1 242.407 2.120 20 0 BEADMP CCOC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000189346800 385983748 /nfs/dbraw/zinc/98/37/48/385983748.db2.gz DSPFWPZGWGXGBQ-RDBSUJKOSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000414136482 385984560 /nfs/dbraw/zinc/98/45/60/385984560.db2.gz FOTWEPLOBQCXGB-XQHKEYJVSA-N 2 1 212.381 2.349 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000414136482 385984563 /nfs/dbraw/zinc/98/45/63/385984563.db2.gz FOTWEPLOBQCXGB-XQHKEYJVSA-N 2 1 212.381 2.349 20 0 BEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000414135914 385985417 /nfs/dbraw/zinc/98/54/17/385985417.db2.gz FCBGWSRJXZPIAM-RFQIPJPRSA-N 2 1 240.391 2.015 20 0 BEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000414135914 385985424 /nfs/dbraw/zinc/98/54/24/385985424.db2.gz FCBGWSRJXZPIAM-RFQIPJPRSA-N 2 1 240.391 2.015 20 0 BEADMP C[C@H](C[NH3+])C[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000414878579 385933398 /nfs/dbraw/zinc/93/33/98/385933398.db2.gz OIBBFQBNHKFHJZ-LLVKDONJSA-N 2 1 245.326 2.026 20 0 BEADMP CC(C)([NH3+])C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000335042301 385935391 /nfs/dbraw/zinc/93/53/91/385935391.db2.gz JVVSFPVFZJSQQN-GFCCVEGCSA-N 2 1 222.307 2.140 20 0 BEADMP Cc1c[nH+]ccc1N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000335056008 385955982 /nfs/dbraw/zinc/95/59/82/385955982.db2.gz SQPROYDOXRYESD-OAHLLOKOSA-N 2 1 245.370 2.312 20 0 BEADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1C[C@H]1C ZINC000414146337 385993914 /nfs/dbraw/zinc/99/39/14/385993914.db2.gz KYMBWVPWAXNXBQ-MBNYWOFBSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H](c1cccnc1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251290038 385962709 /nfs/dbraw/zinc/96/27/09/385962709.db2.gz VFUWQVSYVZGFEA-SCRDCRAPSA-N 2 1 233.359 2.202 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000335013703 385969308 /nfs/dbraw/zinc/96/93/08/385969308.db2.gz OCMALXNFXVIBKP-HIFRSBDPSA-N 2 1 245.370 2.014 20 0 BEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000335013705 385971212 /nfs/dbraw/zinc/97/12/12/385971212.db2.gz OCMALXNFXVIBKP-ZFWWWQNUSA-N 2 1 245.370 2.014 20 0 BEADMP C[NH+]1CCC([NH2+]CCOC2CCCCC2)CC1 ZINC000111636159 385974778 /nfs/dbraw/zinc/97/47/78/385974778.db2.gz HLBVTPLSELBGKY-UHFFFAOYSA-N 2 1 240.391 2.020 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000648403546 386012355 /nfs/dbraw/zinc/01/23/55/386012355.db2.gz KZVAPHDQCZAGPZ-IMRBUKKESA-N 2 1 240.391 2.016 20 0 BEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000414168741 386013652 /nfs/dbraw/zinc/01/36/52/386013652.db2.gz ALBZJVPCLYPJRD-UONOGXRCSA-N 2 1 247.386 2.464 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1cc(C)cc(C)c1 ZINC000414980562 386056409 /nfs/dbraw/zinc/05/64/09/386056409.db2.gz PRFDNQOJQZDROC-CYBMUJFWSA-N 2 1 206.333 2.130 20 0 BEADMP COC(C)(C)[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414169826 386016768 /nfs/dbraw/zinc/01/67/68/386016768.db2.gz BODLPBZMNOWFFD-QWHCGFSZSA-N 2 1 242.407 2.121 20 0 BEADMP COCCC[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414201712 386036649 /nfs/dbraw/zinc/03/66/49/386036649.db2.gz YIGAOKKZAOLQSX-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1(C)CC1 ZINC000414202935 386041003 /nfs/dbraw/zinc/04/10/03/386041003.db2.gz ZONDGVKEAGMPBV-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cscn1 ZINC000334432462 386050678 /nfs/dbraw/zinc/05/06/78/386050678.db2.gz WVYUERJSKXESID-BDAKNGLRSA-N 2 1 248.355 2.074 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cscn1 ZINC000334432470 386050759 /nfs/dbraw/zinc/05/07/59/386050759.db2.gz WVYUERJSKXESID-RKDXNWHRSA-N 2 1 248.355 2.074 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000414985230 386102998 /nfs/dbraw/zinc/10/29/98/386102998.db2.gz WBTWUESAQVSTBS-LLVKDONJSA-N 2 1 247.317 2.201 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000414987123 386109407 /nfs/dbraw/zinc/10/94/07/386109407.db2.gz KFIUMLBLGQXPPB-AWEZNQCLSA-N 2 1 248.370 2.302 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1c(C)cccc1C ZINC000414986750 386114295 /nfs/dbraw/zinc/11/42/95/386114295.db2.gz YEOMSAXAMXAGGE-GFCCVEGCSA-N 2 1 206.333 2.130 20 0 BEADMP CCC[N@H+]1CC[C@@H](CNCc2ccoc2C)C1 ZINC000414320280 386118105 /nfs/dbraw/zinc/11/81/05/386118105.db2.gz SFTMJEPLFDMJJH-ZDUSSCGKSA-N 2 1 236.359 2.410 20 0 BEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccoc2C)C1 ZINC000414320280 386118110 /nfs/dbraw/zinc/11/81/10/386118110.db2.gz SFTMJEPLFDMJJH-ZDUSSCGKSA-N 2 1 236.359 2.410 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccoc2C)C1 ZINC000414320280 386118113 /nfs/dbraw/zinc/11/81/13/386118113.db2.gz SFTMJEPLFDMJJH-ZDUSSCGKSA-N 2 1 236.359 2.410 20 0 BEADMP CCOc1cccc(C[NH2+]CC2([NH3+])CCC2)c1 ZINC000414886330 386068894 /nfs/dbraw/zinc/06/88/94/386068894.db2.gz PNDWDFYOWCBWPG-UHFFFAOYSA-N 2 1 234.343 2.056 20 0 BEADMP c1ccc(C[C@@H]2CCC[C@H]2[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414886746 386077061 /nfs/dbraw/zinc/07/70/61/386077061.db2.gz QKVRXHYFZWJNQZ-HRCADAONSA-N 2 1 244.382 2.349 20 0 BEADMP FC1(F)CC[C@@H](C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000310087561 386082416 /nfs/dbraw/zinc/08/24/16/386082416.db2.gz BLOPNIZDEWTGOT-NEPJUHHUSA-N 2 1 244.329 2.107 20 0 BEADMP c1cc([C@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)cs1 ZINC000647876882 386145953 /nfs/dbraw/zinc/14/59/53/386145953.db2.gz BXBJEKIIYMAPCX-WCQYABFASA-N 2 1 236.384 2.495 20 0 BEADMP C([C@H]1CC[NH2+]C1)[N@@H+](C1CC1)C1CCCCC1 ZINC000647877161 386146213 /nfs/dbraw/zinc/14/62/13/386146213.db2.gz JYQDGXAQWQTIFW-LBPRGKRZSA-N 2 1 222.376 2.393 20 0 BEADMP COc1ccc([C@H]2CCC[N@H+]2CCC[NH3+])cc1 ZINC000414676026 386148865 /nfs/dbraw/zinc/14/88/65/386148865.db2.gz UQKJKCWNJZNAKW-CQSZACIVSA-N 2 1 234.343 2.181 20 0 BEADMP C[N@@H+](CCC[NH3+])[C@H]1CCCc2ccccc21 ZINC000106164357 386156818 /nfs/dbraw/zinc/15/68/18/386156818.db2.gz CHZJADGLZLIALG-AWEZNQCLSA-N 2 1 218.344 2.345 20 0 BEADMP [NH3+][C@H](C[NH2+]Cc1coc2ccccc12)C1CC1 ZINC000414893354 386161014 /nfs/dbraw/zinc/16/10/14/386161014.db2.gz KFDQOLGPTIAOGB-CYBMUJFWSA-N 2 1 230.311 2.260 20 0 BEADMP [NH3+]CCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414684849 386172869 /nfs/dbraw/zinc/17/28/69/386172869.db2.gz WZYQBMBTIRCCKL-CYBMUJFWSA-N 2 1 222.307 2.311 20 0 BEADMP [NH3+]CCC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000414685952 386174359 /nfs/dbraw/zinc/17/43/59/386174359.db2.gz FJBBFDKQJKUQMZ-OAHLLOKOSA-N 2 1 230.355 2.487 20 0 BEADMP CC[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346189792 386181127 /nfs/dbraw/zinc/18/11/27/386181127.db2.gz ZLIPRMGQNNTKJX-UHFFFAOYSA-N 2 1 230.315 2.027 20 0 BEADMP Cc1ccccc1C[C@@H]1CCC[N@H+]1CCC[NH3+] ZINC000414691618 386188439 /nfs/dbraw/zinc/18/84/39/386188439.db2.gz JXPDYPDNUAMDJT-HNNXBMFYSA-N 2 1 232.371 2.351 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414328833 386125571 /nfs/dbraw/zinc/12/55/71/386125571.db2.gz CTMJQMQISORYRZ-XGFWRYKXSA-N 2 1 248.370 2.454 20 0 BEADMP [NH3+][C@H](C[NH2+]C/C=C/c1ccccc1)C1CC1 ZINC000414891001 386134250 /nfs/dbraw/zinc/13/42/50/386134250.db2.gz HUYGYXZONSHKOI-BTKRWWFXSA-N 2 1 216.328 2.027 20 0 BEADMP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414891238 386138434 /nfs/dbraw/zinc/13/84/34/386138434.db2.gz WENUPQKYSAAKNW-KKUMJFAQSA-N 2 1 248.345 2.413 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@]1(C)CCCO1 ZINC000340259222 386139579 /nfs/dbraw/zinc/13/95/79/386139579.db2.gz PCJHIZFGSAMFOG-XJFOESAGSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@]1(C)CCCO1 ZINC000340259222 386139585 /nfs/dbraw/zinc/13/95/85/386139585.db2.gz PCJHIZFGSAMFOG-XJFOESAGSA-N 2 1 240.391 2.016 20 0 BEADMP COc1ccc([C@@H](C)[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000647874677 386142222 /nfs/dbraw/zinc/14/22/22/386142222.db2.gz MMPZRICYWGCPKN-CHWSQXEVSA-N 2 1 248.370 2.298 20 0 BEADMP Fc1cccc(C[N@H+](C[C@H]2CC[NH2+]C2)C2CC2)c1 ZINC000647874845 386144104 /nfs/dbraw/zinc/14/41/04/386144104.db2.gz CTHZUGWZRIZMPC-ZDUSSCGKSA-N 2 1 248.345 2.400 20 0 BEADMP Fc1cccc(C[N@@H+](C[C@H]2CC[NH2+]C2)C2CC2)c1 ZINC000647874845 386144110 /nfs/dbraw/zinc/14/41/10/386144110.db2.gz CTHZUGWZRIZMPC-ZDUSSCGKSA-N 2 1 248.345 2.400 20 0 BEADMP CCCC[N@@H+](CCOC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414701166 386202009 /nfs/dbraw/zinc/20/20/09/386202009.db2.gz UBNVRQYRPRSPKU-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP [NH3+]CCC[N@H+]1CCCC2(CCCCC2)C1 ZINC000414697075 386203019 /nfs/dbraw/zinc/20/30/19/386203019.db2.gz PVFDHJSLRZLXAZ-UHFFFAOYSA-N 2 1 210.365 2.382 20 0 BEADMP [NH3+][C@@H](C[NH2+]Cc1cccc(Cl)c1)C1CC1 ZINC000414896919 386208962 /nfs/dbraw/zinc/20/89/62/386208962.db2.gz PZEHPMHLDCDHEG-LBPRGKRZSA-N 2 1 224.735 2.167 20 0 BEADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C1CCC1 ZINC000414704294 386213797 /nfs/dbraw/zinc/21/37/97/386213797.db2.gz MVBZBSBYDOSZIV-NWDGAFQWSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)(C)C[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647882635 386234266 /nfs/dbraw/zinc/23/42/66/386234266.db2.gz HSGABDGIDCGDKI-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1C ZINC000415001905 386234891 /nfs/dbraw/zinc/23/48/91/386234891.db2.gz CQLKYXOUBMXFQV-CHWSQXEVSA-N 2 1 220.360 2.437 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1C ZINC000415001908 386236227 /nfs/dbraw/zinc/23/62/27/386236227.db2.gz CQLKYXOUBMXFQV-STQMWFEESA-N 2 1 220.360 2.437 20 0 BEADMP C[C@@H]1SCC[N@@H+](CCC2CC[NH2+]CC2)[C@H]1C ZINC000132525906 386241391 /nfs/dbraw/zinc/24/13/91/386241391.db2.gz YPQKENNBTPTURS-RYUDHWBXSA-N 2 1 242.432 2.202 20 0 BEADMP Fc1ccc2c(c1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000297312733 386241464 /nfs/dbraw/zinc/24/14/64/386241464.db2.gz IBCYCIJBYLBOCL-UHFFFAOYSA-N 2 1 248.345 2.183 20 0 BEADMP C[C@H]1C[N@@H+](CCC[NH3+])CC[C@H]1c1ccccc1 ZINC000414718842 386248728 /nfs/dbraw/zinc/24/87/28/386248728.db2.gz ZTOKFJGVMVMGRD-DZGCQCFKSA-N 2 1 232.371 2.461 20 0 BEADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)C1CCC1 ZINC000336646633 386253676 /nfs/dbraw/zinc/25/36/76/386253676.db2.gz KWQAYOICEVKXTH-GFCCVEGCSA-N 2 1 210.365 2.345 20 0 BEADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)C1CCC1 ZINC000336646633 386253681 /nfs/dbraw/zinc/25/36/81/386253681.db2.gz KWQAYOICEVKXTH-GFCCVEGCSA-N 2 1 210.365 2.345 20 0 BEADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)C1CCC1 ZINC000336646633 386253684 /nfs/dbraw/zinc/25/36/84/386253684.db2.gz KWQAYOICEVKXTH-GFCCVEGCSA-N 2 1 210.365 2.345 20 0 BEADMP CC[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000336645802 386255433 /nfs/dbraw/zinc/25/54/33/386255433.db2.gz IYLMZJBEEUMYET-STQMWFEESA-N 2 1 210.365 2.345 20 0 BEADMP CC[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000336645802 386255437 /nfs/dbraw/zinc/25/54/37/386255437.db2.gz IYLMZJBEEUMYET-STQMWFEESA-N 2 1 210.365 2.345 20 0 BEADMP CC[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000336645802 386255439 /nfs/dbraw/zinc/25/54/39/386255439.db2.gz IYLMZJBEEUMYET-STQMWFEESA-N 2 1 210.365 2.345 20 0 BEADMP Cc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1Cl ZINC000414895722 386192984 /nfs/dbraw/zinc/19/29/84/386192984.db2.gz YVJDMAKFZKAUDM-ZDUSSCGKSA-N 2 1 238.762 2.475 20 0 BEADMP CC[N@@H+](CCC[NH3+])[C@H](C)c1cccc(OC)c1 ZINC000414694712 386194561 /nfs/dbraw/zinc/19/45/61/386194561.db2.gz DQDBSWPLUODUHN-GFCCVEGCSA-N 2 1 236.359 2.427 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@@H]1C[C@H](OCC)C1(C)C ZINC000414693091 386194597 /nfs/dbraw/zinc/19/45/97/386194597.db2.gz DLNHAMLHEMFOJN-OLZOCXBDSA-N 2 1 242.407 2.251 20 0 BEADMP [NH3+][C@@H](C[NH2+]C/C=C/c1ccc(F)cc1)C1CC1 ZINC000414896092 386196277 /nfs/dbraw/zinc/19/62/77/386196277.db2.gz OEAOYHWWBUOWIV-YUKKFKLSSA-N 2 1 234.318 2.166 20 0 BEADMP CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647886676 386298951 /nfs/dbraw/zinc/29/89/51/386298951.db2.gz IMVIJOYOMSBCBK-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1c2ccc(F)cc2CC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647886654 386299844 /nfs/dbraw/zinc/29/98/44/386299844.db2.gz FZFWJYMTYPJIAP-RYUDHWBXSA-N 2 1 248.345 2.354 20 0 BEADMP C[C@H]1c2ccc(F)cc2CC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647886654 386299849 /nfs/dbraw/zinc/29/98/49/386299849.db2.gz FZFWJYMTYPJIAP-RYUDHWBXSA-N 2 1 248.345 2.354 20 0 BEADMP C[C@@H](CNc1[nH+]c2ccccc2n1C)C[NH+](C)C ZINC000291969125 386304222 /nfs/dbraw/zinc/30/42/22/386304222.db2.gz VXGCMRNVSBEKDF-NSHDSACASA-N 2 1 246.358 2.183 20 0 BEADMP CC[C@@H](C)C[N@@H+](CC)CCC[NH+](C)C ZINC000336669494 386312525 /nfs/dbraw/zinc/31/25/25/386312525.db2.gz DWYGPIPNQUMSBW-GFCCVEGCSA-N 2 1 200.370 2.306 20 0 BEADMP C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@H]2C(F)F)CC[NH2+]1 ZINC000414738336 386316031 /nfs/dbraw/zinc/31/60/31/386316031.db2.gz JCVRETLQOCFTTB-WOPDTQHZSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@H]2C(F)F)CC[NH2+]1 ZINC000414738336 386316036 /nfs/dbraw/zinc/31/60/36/386316036.db2.gz JCVRETLQOCFTTB-WOPDTQHZSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@H]1CC[C@@H]([N@H+](C)CC[NH2+]C(C)(C)C)C1 ZINC000414737881 386317685 /nfs/dbraw/zinc/31/76/85/386317685.db2.gz IZECIURFSFURBP-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H]1CC[C@@H]([N@@H+](C)CC[NH2+]C(C)(C)C)C1 ZINC000414737881 386317694 /nfs/dbraw/zinc/31/76/94/386317694.db2.gz IZECIURFSFURBP-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@H]2C(F)F)CC[NH2+]1 ZINC000414738334 386318027 /nfs/dbraw/zinc/31/80/27/386318027.db2.gz JCVRETLQOCFTTB-UTUOFQBUSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@H]2C(F)F)CC[NH2+]1 ZINC000414738334 386318031 /nfs/dbraw/zinc/31/80/31/386318031.db2.gz JCVRETLQOCFTTB-UTUOFQBUSA-N 2 1 246.345 2.494 20 0 BEADMP Cc1ccc([C@@]2(C)CC[N@@H+](CCC[NH3+])C2)cc1 ZINC000414747095 386351822 /nfs/dbraw/zinc/35/18/22/386351822.db2.gz RRDCHXDIDVCQCW-HNNXBMFYSA-N 2 1 232.371 2.307 20 0 BEADMP COC(C)(C)CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000336692783 386366474 /nfs/dbraw/zinc/36/64/74/386366474.db2.gz IYXBJOZDZTXRAA-OLZOCXBDSA-N 2 1 242.407 2.216 20 0 BEADMP COC(C)(C)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000336692783 386366476 /nfs/dbraw/zinc/36/64/76/386366476.db2.gz IYXBJOZDZTXRAA-OLZOCXBDSA-N 2 1 242.407 2.216 20 0 BEADMP COC(C)(C)CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336692783 386366479 /nfs/dbraw/zinc/36/64/79/386366479.db2.gz IYXBJOZDZTXRAA-OLZOCXBDSA-N 2 1 242.407 2.216 20 0 BEADMP COC(C)(C)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336692783 386366481 /nfs/dbraw/zinc/36/64/81/386366481.db2.gz IYXBJOZDZTXRAA-OLZOCXBDSA-N 2 1 242.407 2.216 20 0 BEADMP C[C@]1(c2ccccc2)CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647890172 386367677 /nfs/dbraw/zinc/36/76/77/386367677.db2.gz WSOIPYCXMNFCPP-HOCLYGCPSA-N 2 1 244.382 2.260 20 0 BEADMP COC(C)(C)CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000336695681 386374630 /nfs/dbraw/zinc/37/46/30/386374630.db2.gz OEJPZEDCLYUITP-CYBMUJFWSA-N 2 1 242.407 2.075 20 0 BEADMP COC(C)(C)CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000336695681 386374638 /nfs/dbraw/zinc/37/46/38/386374638.db2.gz OEJPZEDCLYUITP-CYBMUJFWSA-N 2 1 242.407 2.075 20 0 BEADMP COC(C)(C)CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336695681 386374643 /nfs/dbraw/zinc/37/46/43/386374643.db2.gz OEJPZEDCLYUITP-CYBMUJFWSA-N 2 1 242.407 2.075 20 0 BEADMP CC1(C)C[N@@H+](CCC[NH3+])CC[C@H]1C(F)(F)F ZINC000414751762 386377722 /nfs/dbraw/zinc/37/77/22/386377722.db2.gz AZAUAHCTPOJFGF-SECBINFHSA-N 2 1 238.297 2.246 20 0 BEADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](C)C(F)(F)C2)CC[NH2+]1 ZINC000414740182 386329290 /nfs/dbraw/zinc/32/92/90/386329290.db2.gz JOCSLEFLFIXIQT-QJPTWQEYSA-N 2 1 246.345 2.352 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C)C(F)(F)C2)CC[NH2+]1 ZINC000414740182 386329295 /nfs/dbraw/zinc/32/92/95/386329295.db2.gz JOCSLEFLFIXIQT-QJPTWQEYSA-N 2 1 246.345 2.352 20 0 BEADMP C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCC[NH3+] ZINC000414740227 386329682 /nfs/dbraw/zinc/32/96/82/386329682.db2.gz JRCHLIUSXOGVSI-HIFRSBDPSA-N 2 1 232.371 2.288 20 0 BEADMP COCC1(C)CC[NH+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000414753410 386388598 /nfs/dbraw/zinc/38/85/98/386388598.db2.gz MIXYVZOQKXTCTI-CYBMUJFWSA-N 2 1 242.407 2.108 20 0 BEADMP CC1CCC([NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000414908867 386403139 /nfs/dbraw/zinc/40/31/39/386403139.db2.gz BKXJXRBHMZLXST-MVKMKZAISA-N 2 1 210.365 2.153 20 0 BEADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC000093216130 386404976 /nfs/dbraw/zinc/40/49/76/386404976.db2.gz IVGUTYMJTSMCKE-NWDGAFQWSA-N 2 1 240.297 2.324 20 0 BEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC2CC2)C1 ZINC000336706976 386409876 /nfs/dbraw/zinc/40/98/76/386409876.db2.gz LDBWWMUMSVXPBI-HNNXBMFYSA-N 2 1 236.403 2.450 20 0 BEADMP C[C@@H]1CCCC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414761495 386421155 /nfs/dbraw/zinc/42/11/55/386421155.db2.gz TZIDBBKUQHJDTG-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@H]1CCCC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414761495 386421157 /nfs/dbraw/zinc/42/11/57/386421157.db2.gz TZIDBBKUQHJDTG-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP C[NH+](C)[C@H]1CCC[N@@H+](CCc2cccnc2)CC1 ZINC000277262348 386421557 /nfs/dbraw/zinc/42/15/57/386421557.db2.gz RAPJYKZASVZDRS-HNNXBMFYSA-N 2 1 247.386 2.040 20 0 BEADMP CC[C@@H]1C[N@@H+](Cc2ccc(C)nc2C)CC[C@H]1[NH3+] ZINC000647934381 386473681 /nfs/dbraw/zinc/47/36/81/386473681.db2.gz CQEPVKNIAQYODB-UKRRQHHQSA-N 2 1 247.386 2.258 20 0 BEADMP Cc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccn1 ZINC000391194717 386474388 /nfs/dbraw/zinc/47/43/88/386474388.db2.gz RCEOAKWVZKCGNZ-CORIIIEPSA-N 2 1 247.386 2.208 20 0 BEADMP Cc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)ccn1 ZINC000391194717 386474389 /nfs/dbraw/zinc/47/43/89/386474389.db2.gz RCEOAKWVZKCGNZ-CORIIIEPSA-N 2 1 247.386 2.208 20 0 BEADMP C[N@@H+](C/C=C/c1ccc(F)cc1)C1CC([NH3+])C1 ZINC000414779454 386491020 /nfs/dbraw/zinc/49/10/20/386491020.db2.gz REVONVMBYBFKDV-NSCUHMNNSA-N 2 1 234.318 2.260 20 0 BEADMP CC(C)Oc1cccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])c1 ZINC000415013471 386496657 /nfs/dbraw/zinc/49/66/57/386496657.db2.gz VCXFROPIGGKYQN-RYUDHWBXSA-N 2 1 236.359 2.299 20 0 BEADMP Cc1ccc(CCC[NH2+][C@@H](C[NH3+])C(C)(C)C)cn1 ZINC000415050422 386505212 /nfs/dbraw/zinc/50/52/12/386505212.db2.gz CLTHQULSZQPPEI-AWEZNQCLSA-N 2 1 249.402 2.286 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414783687 386508106 /nfs/dbraw/zinc/50/81/06/386508106.db2.gz QIRTVPPXCGCHHO-ZIAGYGMSSA-N 2 1 224.392 2.354 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414783685 386508462 /nfs/dbraw/zinc/50/84/62/386508462.db2.gz QIRTVPPXCGCHHO-UONOGXRCSA-N 2 1 224.392 2.354 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)[C@H]2CCC[C@H]21 ZINC000453382902 386510554 /nfs/dbraw/zinc/51/05/54/386510554.db2.gz LXBFBWLBWXKZJU-XFIYOXNOSA-N 2 1 248.414 2.495 20 0 BEADMP COc1ccccc1/C=C\C[N@H+](C)C1CC([NH3+])C1 ZINC000414783350 386511010 /nfs/dbraw/zinc/51/10/10/386511010.db2.gz YYZWBITTYOLSFN-ALCCZGGFSA-N 2 1 246.354 2.130 20 0 BEADMP COc1ccccc1/C=C\C[N@@H+](C)C1CC([NH3+])C1 ZINC000414783350 386511018 /nfs/dbraw/zinc/51/10/18/386511018.db2.gz YYZWBITTYOLSFN-ALCCZGGFSA-N 2 1 246.354 2.130 20 0 BEADMP Cc1ccncc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000135500149 386520648 /nfs/dbraw/zinc/52/06/48/386520648.db2.gz VUYJDYFDEVHCLJ-AWEZNQCLSA-N 2 1 233.359 2.093 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415033818 386521268 /nfs/dbraw/zinc/52/12/68/386521268.db2.gz CCAALLDVQFTLCJ-XJFOESAGSA-N 2 1 222.376 2.106 20 0 BEADMP CC(C)Cc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415038205 386523857 /nfs/dbraw/zinc/52/38/57/386523857.db2.gz NOWGXPFFVMZWNT-ZSHCYNCHSA-N 2 1 244.382 2.193 20 0 BEADMP [NH3+]C[C@H]([NH2+]Cc1cccc(F)c1)C1CCCC1 ZINC000415037628 386524404 /nfs/dbraw/zinc/52/44/04/386524404.db2.gz GWPWUFNGIVKLLD-AWEZNQCLSA-N 2 1 236.334 2.433 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000339512240 386457978 /nfs/dbraw/zinc/45/79/78/386457978.db2.gz MHFIFFXRPKMPGP-GDBMZVCRSA-N 2 1 244.382 2.474 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CCN([C@H](C)c2cccnc2)C1 ZINC000266624835 386458804 /nfs/dbraw/zinc/45/88/04/386458804.db2.gz NFTPFXPBLVSPAJ-KGLIPLIRSA-N 2 1 247.386 2.416 20 0 BEADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cccnc2)C1 ZINC000266624835 386458807 /nfs/dbraw/zinc/45/88/07/386458807.db2.gz NFTPFXPBLVSPAJ-KGLIPLIRSA-N 2 1 247.386 2.416 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cccnc2)C1 ZINC000266624835 386458814 /nfs/dbraw/zinc/45/88/14/386458814.db2.gz NFTPFXPBLVSPAJ-KGLIPLIRSA-N 2 1 247.386 2.416 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2cccnc2)C1 ZINC000266624835 386458819 /nfs/dbraw/zinc/45/88/19/386458819.db2.gz NFTPFXPBLVSPAJ-KGLIPLIRSA-N 2 1 247.386 2.416 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2cccnc2)C1 ZINC000266624835 386458822 /nfs/dbraw/zinc/45/88/22/386458822.db2.gz NFTPFXPBLVSPAJ-KGLIPLIRSA-N 2 1 247.386 2.416 20 0 BEADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccn1 ZINC000094916675 386462870 /nfs/dbraw/zinc/46/28/70/386462870.db2.gz XOPUFNPFJZCSHV-AWEZNQCLSA-N 2 1 247.386 2.293 20 0 BEADMP C[C@H]1CC([NH2+][C@H](C[NH3+])C2CC2)C[C@H](C)C1 ZINC000414795698 386575310 /nfs/dbraw/zinc/57/53/10/386575310.db2.gz GYOGMPIRXKGVIO-GIPNMCIBSA-N 2 1 210.365 2.138 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC000414921354 386584888 /nfs/dbraw/zinc/58/48/88/386584888.db2.gz DLOWLDBCLFWBDD-GRYCIOLGSA-N 2 1 210.365 2.153 20 0 BEADMP COc1cccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1 ZINC000415053222 386534601 /nfs/dbraw/zinc/53/46/01/386534601.db2.gz MBJTVGMQDHCYCZ-ZDUSSCGKSA-N 2 1 236.359 2.158 20 0 BEADMP Cc1nc(C)c(C[NH2+][C@@H](CN)C(C)(C)C)s1 ZINC000415059839 386542066 /nfs/dbraw/zinc/54/20/66/386542066.db2.gz ZJMKOHRFRJQGCN-NSHDSACASA-N 2 1 241.404 2.223 20 0 BEADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)C1CCC1 ZINC000415067379 386549263 /nfs/dbraw/zinc/54/92/63/386549263.db2.gz OZUPFJNPNJBNKI-ZWNOBZJWSA-N 2 1 210.365 2.282 20 0 BEADMP CC[C@H](C)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415053107 386553577 /nfs/dbraw/zinc/55/35/77/386553577.db2.gz NZOOVTCGKDKULK-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP CCCC[C@H](COC)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415070479 386555471 /nfs/dbraw/zinc/55/54/71/386555471.db2.gz VCYUZLDAWZFUHB-ZIAGYGMSSA-N 2 1 242.407 2.299 20 0 BEADMP CC1(C)CCC([NH2+][C@H](C[NH3+])C2CC2)CC1 ZINC000414793849 386557295 /nfs/dbraw/zinc/55/72/95/386557295.db2.gz FEQRPIOHPXIZMZ-GFCCVEGCSA-N 2 1 210.365 2.282 20 0 BEADMP [NH3+]C[C@@H]([NH2+]C/C=C\c1ccccc1)C1CC1 ZINC000414793026 386559996 /nfs/dbraw/zinc/55/99/96/386559996.db2.gz CYBSNLQDURFVGK-HJHHMULASA-N 2 1 216.328 2.027 20 0 BEADMP [NH3+]C[C@@H]([NH2+]C1Cc2ccccc2C1)C1CCCC1 ZINC000415071621 386564610 /nfs/dbraw/zinc/56/46/10/386564610.db2.gz WTEXSKKJZPATKA-MRXNPFEDSA-N 2 1 244.382 2.261 20 0 BEADMP Cc1ccc(F)cc1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414796624 386567697 /nfs/dbraw/zinc/56/76/97/386567697.db2.gz OHYWBINDVFYMPN-ZDUSSCGKSA-N 2 1 224.323 2.207 20 0 BEADMP Cc1cnccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000228663089 386597915 /nfs/dbraw/zinc/59/79/15/386597915.db2.gz OGFNMMTTXFMGHN-GOOCMWNKSA-N 2 1 245.370 2.105 20 0 BEADMP Cc1cnccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000228663089 386597918 /nfs/dbraw/zinc/59/79/18/386597918.db2.gz OGFNMMTTXFMGHN-GOOCMWNKSA-N 2 1 245.370 2.105 20 0 BEADMP C(C1CCC1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976492 386572440 /nfs/dbraw/zinc/57/24/40/386572440.db2.gz PMUQGZKWINISHH-LSDHHAIUSA-N 2 1 236.403 2.498 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C[C@H]1C ZINC000414924273 386619954 /nfs/dbraw/zinc/61/99/54/386619954.db2.gz IODWOOKTZVVCNE-XGFWRYKXSA-N 2 1 224.392 2.399 20 0 BEADMP CCC1CCC([NH2+][C@H](C[NH3+])C2CC2)CC1 ZINC000414809858 386621337 /nfs/dbraw/zinc/62/13/37/386621337.db2.gz URRQUVIITBEEMJ-KGPNIALWSA-N 2 1 210.365 2.282 20 0 BEADMP CCc1cccnc1[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425916484 386629769 /nfs/dbraw/zinc/62/97/69/386629769.db2.gz FQYFKGUUZUMCHZ-STQMWFEESA-N 2 1 249.402 2.492 20 0 BEADMP Cc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)c(C)c1 ZINC000414810349 386631226 /nfs/dbraw/zinc/63/12/26/386631226.db2.gz VGLNKJASFPCJQU-CQSZACIVSA-N 2 1 218.344 2.130 20 0 BEADMP Cc1ccnc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c1 ZINC000425919246 386632270 /nfs/dbraw/zinc/63/22/70/386632270.db2.gz IUTXPZZDDPQYOF-CHWSQXEVSA-N 2 1 235.375 2.238 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000414813484 386635872 /nfs/dbraw/zinc/63/58/72/386635872.db2.gz MNOXSWXOKKIUDN-MGPQQGTHSA-N 2 1 242.407 2.297 20 0 BEADMP C[NH2+]CCC[N@H+](C)C/C=C/c1ccccc1OC ZINC000415134518 386640260 /nfs/dbraw/zinc/64/02/60/386640260.db2.gz ORFPQSOOSPMJJD-RMKNXTFCSA-N 2 1 248.370 2.250 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C/C=C/c1ccccc1OC ZINC000415134518 386640263 /nfs/dbraw/zinc/64/02/63/386640263.db2.gz ORFPQSOOSPMJJD-RMKNXTFCSA-N 2 1 248.370 2.250 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC1(C)C ZINC000336758820 386642007 /nfs/dbraw/zinc/64/20/07/386642007.db2.gz JZMAXHOZUBKXRC-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP CC[N@H+](C)C[C@H]1CCN(c2cc(C)cc[nH+]2)C1 ZINC000268368372 386644412 /nfs/dbraw/zinc/64/44/12/386644412.db2.gz YFDUHOPOSAXRBI-CYBMUJFWSA-N 2 1 233.359 2.168 20 0 BEADMP CC[N@@H+](C)C[C@H]1CCN(c2cc(C)cc[nH+]2)C1 ZINC000268368372 386644424 /nfs/dbraw/zinc/64/44/24/386644424.db2.gz YFDUHOPOSAXRBI-CYBMUJFWSA-N 2 1 233.359 2.168 20 0 BEADMP CC[N@H+](CCNc1cc[nH+]cc1Cl)C(C)C ZINC000336782513 386645556 /nfs/dbraw/zinc/64/55/56/386645556.db2.gz XXACWCXBMHCKRJ-UHFFFAOYSA-N 2 1 241.766 2.299 20 0 BEADMP CC[N@@H+](CCNc1cc[nH+]cc1Cl)C(C)C ZINC000336782513 386645557 /nfs/dbraw/zinc/64/55/57/386645557.db2.gz XXACWCXBMHCKRJ-UHFFFAOYSA-N 2 1 241.766 2.299 20 0 BEADMP Cc1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1C ZINC000049669103 386645792 /nfs/dbraw/zinc/64/57/92/386645792.db2.gz JDMPKKBFNPBFIF-UHFFFAOYSA-N 2 1 232.371 2.487 20 0 BEADMP Cc1ccc(C)c(C[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000414803231 386600225 /nfs/dbraw/zinc/60/02/25/386600225.db2.gz NJIFCXCWQRREOB-AWEZNQCLSA-N 2 1 218.344 2.130 20 0 BEADMP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]C1)Cc1cccs1 ZINC000415085458 386600909 /nfs/dbraw/zinc/60/09/09/386600909.db2.gz QPUVPCCPBUPTPO-VXGBXAGGSA-N 2 1 238.400 2.268 20 0 BEADMP Cc1cccc(C)c1CC[NH2+][C@H]1CCC[NH2+]C1 ZINC000415085344 386601690 /nfs/dbraw/zinc/60/16/90/386601690.db2.gz PYVBUJXPUFJTIF-AWEZNQCLSA-N 2 1 232.371 2.188 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](COC)CC(C)C ZINC000414805735 386607155 /nfs/dbraw/zinc/60/71/55/386607155.db2.gz AQJXJJGRVVGRJL-CHWSQXEVSA-N 2 1 230.396 2.155 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+]Cc1cccc(OC)c1 ZINC000414807022 386617705 /nfs/dbraw/zinc/61/77/05/386617705.db2.gz CBLPFJKTTZRFPR-CYBMUJFWSA-N 2 1 236.359 2.302 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+]CCCc1ccc(C)nc1 ZINC000414819773 386660056 /nfs/dbraw/zinc/66/00/56/386660056.db2.gz ZPBOFUJLFGKGOT-OAHLLOKOSA-N 2 1 249.402 2.430 20 0 BEADMP CCCC[C@@H](C[NH3+])[NH2+]C1CCC(OC)CC1 ZINC000414819290 386670473 /nfs/dbraw/zinc/67/04/73/386670473.db2.gz YJBINZAPKUTNKO-CPCZMJQVSA-N 2 1 228.380 2.051 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(Cl)c1F ZINC000414833070 386711014 /nfs/dbraw/zinc/71/10/14/386711014.db2.gz GBGFWWJMEIEHLY-SECBINFHSA-N 2 1 244.741 2.424 20 0 BEADMP CC[C@@H](C)[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000337260811 386695936 /nfs/dbraw/zinc/69/59/36/386695936.db2.gz XKODXWDSCRPPTK-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP CCc1cccc(F)c1C[NH2+]C[C@@H](C)C[NH2+]C ZINC000414830058 386706850 /nfs/dbraw/zinc/70/68/50/386706850.db2.gz ALCAEDPALOVCOW-NSHDSACASA-N 2 1 238.350 2.333 20 0 BEADMP CC[C@H](C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1)c1ccccc1 ZINC000340692949 386713536 /nfs/dbraw/zinc/71/35/36/386713536.db2.gz WNSMXQITFCZKTH-NFAWXSAZSA-N 2 1 232.371 2.459 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000414832061 386716883 /nfs/dbraw/zinc/71/68/83/386716883.db2.gz DDWMFOSAKZOZRL-MCIONIFRSA-N 2 1 242.407 2.153 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000414831888 386718147 /nfs/dbraw/zinc/71/81/47/386718147.db2.gz PWSXVCKEZDCGHV-CHWSQXEVSA-N 2 1 210.365 2.154 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H](C)CCc1ccccc1F ZINC000414929148 386727000 /nfs/dbraw/zinc/72/70/00/386727000.db2.gz NYWNXRLALSMYFN-GHMZBOCLSA-N 2 1 224.323 2.084 20 0 BEADMP C[C@@H](C[NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000414840100 386746872 /nfs/dbraw/zinc/74/68/72/386746872.db2.gz GLNNTYUPEVAKLN-FZMZJTMJSA-N 2 1 236.334 2.271 20 0 BEADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1Cc2ccccc2C1 ZINC000414839963 386746989 /nfs/dbraw/zinc/74/69/89/386746989.db2.gz LXTGAPQQHKMLGN-HNNXBMFYSA-N 2 1 232.371 2.117 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000414843097 386757527 /nfs/dbraw/zinc/75/75/27/386757527.db2.gz JJDDOWGXIXYKPD-VXGBXAGGSA-N 2 1 212.381 2.400 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000414932250 386768222 /nfs/dbraw/zinc/76/82/22/386768222.db2.gz QVUWSIHYHLYEBM-NDBYEHHHSA-N 2 1 210.365 2.153 20 0 BEADMP Cc1ccncc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397259232 386774325 /nfs/dbraw/zinc/77/43/25/386774325.db2.gz GQAFCUSFRGGFQM-MCIONIFRSA-N 2 1 247.386 2.195 20 0 BEADMP CC[N@H+](CC[NH2+]C[C@H]1CCSC1)C(C)C ZINC000336761315 386781214 /nfs/dbraw/zinc/78/12/14/386781214.db2.gz MRIRRVRMYXWZRX-GFCCVEGCSA-N 2 1 230.421 2.059 20 0 BEADMP CC[N@@H+](CC[NH2+]C[C@H]1CCSC1)C(C)C ZINC000336761315 386781217 /nfs/dbraw/zinc/78/12/17/386781217.db2.gz MRIRRVRMYXWZRX-GFCCVEGCSA-N 2 1 230.421 2.059 20 0 BEADMP CC[NH+](CC)[C@H](C)CNc1cc(C)[nH+]c(C)n1 ZINC000280463214 386816609 /nfs/dbraw/zinc/81/66/09/386816609.db2.gz MJIRASVPCAIARL-LLVKDONJSA-N 2 1 236.363 2.236 20 0 BEADMP CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC(C)(C)C1 ZINC000395300359 386809466 /nfs/dbraw/zinc/80/94/66/386809466.db2.gz QNRUKUPNSIHYPF-GFCCVEGCSA-N 2 1 224.392 2.497 20 0 BEADMP CCc1cc(NC[C@H](C2CC2)[NH+](C)C)nc(C)[nH+]1 ZINC000301364130 386836595 /nfs/dbraw/zinc/83/65/95/386836595.db2.gz RKOAKQRNMQXMRJ-CYBMUJFWSA-N 2 1 248.374 2.100 20 0 BEADMP C[C@H]1Cc2ccccc2C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000334784451 386842788 /nfs/dbraw/zinc/84/27/88/386842788.db2.gz MDDJVTCGPAZOEP-UONOGXRCSA-N 2 1 244.382 2.433 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000334790803 386856380 /nfs/dbraw/zinc/85/63/80/386856380.db2.gz VZJINCPJKMOCTG-ZIAGYGMSSA-N 2 1 233.359 2.456 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000334790803 386856384 /nfs/dbraw/zinc/85/63/84/386856384.db2.gz VZJINCPJKMOCTG-ZIAGYGMSSA-N 2 1 233.359 2.456 20 0 BEADMP C[C@H](C[NH3+])[NH2+]CCCc1c(F)cccc1Cl ZINC000414938079 386858686 /nfs/dbraw/zinc/85/86/86/386858686.db2.gz YCQALTPXGBCFDJ-SECBINFHSA-N 2 1 244.741 2.349 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)CC[NH2+]1 ZINC000334864421 386918964 /nfs/dbraw/zinc/91/89/64/386918964.db2.gz PMOZHFDJNVDGJO-KOLCDFICSA-N 2 1 240.297 2.195 20 0 BEADMP c1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccn1 ZINC000334868524 386926257 /nfs/dbraw/zinc/92/62/57/386926257.db2.gz LKQYYGFUGQJFSM-LSDHHAIUSA-N 2 1 245.370 2.046 20 0 BEADMP c1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccn1 ZINC000334868522 386926406 /nfs/dbraw/zinc/92/64/06/386926406.db2.gz LKQYYGFUGQJFSM-GJZGRUSLSA-N 2 1 245.370 2.046 20 0 BEADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)C1CC1 ZINC000518933855 386939640 /nfs/dbraw/zinc/93/96/40/386939640.db2.gz DGFFDFWUFFKTOX-GFCCVEGCSA-N 2 1 240.297 2.451 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCCCF)C1 ZINC000341885625 386983707 /nfs/dbraw/zinc/98/37/07/386983707.db2.gz FRAWBDLIOAAYIG-ZDUSSCGKSA-N 2 1 230.371 2.400 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCCCF)C1 ZINC000341885625 386983711 /nfs/dbraw/zinc/98/37/11/386983711.db2.gz FRAWBDLIOAAYIG-ZDUSSCGKSA-N 2 1 230.371 2.400 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCCCF)C1 ZINC000341885625 386983714 /nfs/dbraw/zinc/98/37/14/386983714.db2.gz FRAWBDLIOAAYIG-ZDUSSCGKSA-N 2 1 230.371 2.400 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2ccccc2)C1 ZINC000104411922 387004754 /nfs/dbraw/zinc/00/47/54/387004754.db2.gz AQAZVTBZQOGHRO-ZIAGYGMSSA-N 2 1 248.370 2.125 20 0 BEADMP CC[N@H+](CC[NH2+][C@@H]1C[C@H](C)[C@H]1C)C(C)C ZINC000336764406 387045382 /nfs/dbraw/zinc/04/53/82/387045382.db2.gz PVQGIDAUNSPKPX-YNEHKIRRSA-N 2 1 212.381 2.351 20 0 BEADMP CC[N@@H+](CC[NH2+][C@@H]1C[C@H](C)[C@H]1C)C(C)C ZINC000336764406 387045386 /nfs/dbraw/zinc/04/53/86/387045386.db2.gz PVQGIDAUNSPKPX-YNEHKIRRSA-N 2 1 212.381 2.351 20 0 BEADMP CC[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000070613550 387069857 /nfs/dbraw/zinc/06/98/57/387069857.db2.gz JYSATIXALATYNK-ZDUSSCGKSA-N 2 1 224.392 2.498 20 0 BEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000070975627 387085193 /nfs/dbraw/zinc/08/51/93/387085193.db2.gz UXDGEDUUESMTNK-LBPRGKRZSA-N 2 1 236.334 2.387 20 0 BEADMP C[N@H+](Cc1ccccc1F)[C@H]1CCC[NH2+]CC1 ZINC000111824617 387092495 /nfs/dbraw/zinc/09/24/95/387092495.db2.gz ILFOVGFZLSJHHW-ZDUSSCGKSA-N 2 1 236.334 2.400 20 0 BEADMP C[N@@H+](Cc1ccccc1F)[C@H]1CCC[NH2+]CC1 ZINC000111824617 387092503 /nfs/dbraw/zinc/09/25/03/387092503.db2.gz ILFOVGFZLSJHHW-ZDUSSCGKSA-N 2 1 236.334 2.400 20 0 BEADMP Cc1cc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])ccn1 ZINC000335009722 387104734 /nfs/dbraw/zinc/10/47/34/387104734.db2.gz HKLRRMUZZMPIHI-ZIAGYGMSSA-N 2 1 233.359 2.140 20 0 BEADMP C[C@H](Cc1ccccc1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359460142 387105791 /nfs/dbraw/zinc/10/57/91/387105791.db2.gz VXUNRDFYNRUECY-BMFZPTHFSA-N 2 1 244.382 2.016 20 0 BEADMP CC(C)CCOCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070074170 387118602 /nfs/dbraw/zinc/11/86/02/387118602.db2.gz DYFOLNYXZWMXKA-AWEZNQCLSA-N 2 1 242.407 2.110 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000335028096 387120554 /nfs/dbraw/zinc/12/05/54/387120554.db2.gz WJKZOZQDFHNAFT-MWLCHTKSSA-N 2 1 232.318 2.152 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000335028097 387120901 /nfs/dbraw/zinc/12/09/01/387120901.db2.gz WJKZOZQDFHNAFT-ONGXEEELSA-N 2 1 232.318 2.152 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000335028092 387120993 /nfs/dbraw/zinc/12/09/93/387120993.db2.gz WJKZOZQDFHNAFT-GXSJLCMTSA-N 2 1 232.318 2.152 20 0 BEADMP CC(C)(C)[C@H]1CC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423300735 387132221 /nfs/dbraw/zinc/13/22/21/387132221.db2.gz FFIKPTSZOWRXDZ-SDDRHHMPSA-N 2 1 210.365 2.153 20 0 BEADMP Cc1cc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc(C)n1 ZINC000335029638 387124097 /nfs/dbraw/zinc/12/40/97/387124097.db2.gz OCYOWHVWMSYHOB-HUUCEWRRSA-N 2 1 247.386 2.448 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000250529994 387124342 /nfs/dbraw/zinc/12/43/42/387124342.db2.gz KLMUQWHZPDMFFJ-HIFRSBDPSA-N 2 1 230.355 2.487 20 0 BEADMP [NH3+][C@@H]1CCC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000250529994 387124348 /nfs/dbraw/zinc/12/43/48/387124348.db2.gz KLMUQWHZPDMFFJ-HIFRSBDPSA-N 2 1 230.355 2.487 20 0 BEADMP CCOc1ccccc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000250508301 387124854 /nfs/dbraw/zinc/12/48/54/387124854.db2.gz GWXAQLAIUSSMOU-CHWSQXEVSA-N 2 1 248.370 2.254 20 0 BEADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(F)c(Cl)c1 ZINC000423308045 387143933 /nfs/dbraw/zinc/14/39/33/387143933.db2.gz XCSAJMKBRZHIOI-QMMMGPOBSA-N 2 1 242.725 2.349 20 0 BEADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423313552 387151033 /nfs/dbraw/zinc/15/10/33/387151033.db2.gz FUROPOUOCKGDCS-UGFHNGPFSA-N 2 1 248.370 2.090 20 0 BEADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(F)c1 ZINC000423313346 387151767 /nfs/dbraw/zinc/15/17/67/387151767.db2.gz FOSVHRSIRGRYNB-ZANVPECISA-N 2 1 222.307 2.214 20 0 BEADMP [NH3+][C@@H](C[NH2+][C@@H]1CCc2c1cccc2F)C1CC1 ZINC000423314696 387153097 /nfs/dbraw/zinc/15/30/97/387153097.db2.gz HNQIRAPUHZREKB-UONOGXRCSA-N 2 1 234.318 2.140 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000423318750 387159941 /nfs/dbraw/zinc/15/99/41/387159941.db2.gz DPBHUBKUJLRXTG-RKDXNWHRSA-N 2 1 224.373 2.235 20 0 BEADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423321172 387161314 /nfs/dbraw/zinc/16/13/14/387161314.db2.gz MXCGIRRGUXISMY-NKZPBKNFSA-N 2 1 248.345 2.386 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccsc1 ZINC000423319659 387161813 /nfs/dbraw/zinc/16/18/13/387161813.db2.gz LUNLEOHCZWQONF-LDYMZIIASA-N 2 1 210.346 2.136 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1c2cccc(F)c2CC[C@H]1C ZINC000423323029 387164509 /nfs/dbraw/zinc/16/45/09/387164509.db2.gz JEZPHKHHPRKXEF-GPCCPHFNSA-N 2 1 236.334 2.386 20 0 BEADMP CCO[C@H]1C[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000571745701 387168450 /nfs/dbraw/zinc/16/84/50/387168450.db2.gz WKIZNBPEFOJHLQ-OLZOCXBDSA-N 2 1 240.391 2.016 20 0 BEADMP [NH3+][C@H](C[NH2+][C@H]1CCCc2sccc21)C1CC1 ZINC000423323889 387168800 /nfs/dbraw/zinc/16/88/00/387168800.db2.gz PCQVBWSPVXPSSR-NEPJUHHUSA-N 2 1 236.384 2.452 20 0 BEADMP COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423328079 387170422 /nfs/dbraw/zinc/17/04/22/387170422.db2.gz RYAPUJHWTUHDOE-KGLIPLIRSA-N 2 1 246.354 2.009 20 0 BEADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccsc1 ZINC000423327913 387170778 /nfs/dbraw/zinc/17/07/78/387170778.db2.gz NHECVYCBOKRXES-SECBINFHSA-N 2 1 210.346 2.280 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000423328410 387170824 /nfs/dbraw/zinc/17/08/24/387170824.db2.gz OAKSTQRNDXNQNM-XBFCOCLRSA-N 2 1 218.344 2.260 20 0 BEADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(OC)cc1 ZINC000423328753 387172419 /nfs/dbraw/zinc/17/24/19/387172419.db2.gz SGYKIXZUPDLTTR-LSDHHAIUSA-N 2 1 248.370 2.473 20 0 BEADMP CC(C)[C@H](Cc1ccccc1)[NH2+][C@H](C)C[NH3+] ZINC000423329166 387173493 /nfs/dbraw/zinc/17/34/93/387173493.db2.gz OOWQZUBVTBXAKC-OCCSQVGLSA-N 2 1 220.360 2.191 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(OC)cc1 ZINC000423328752 387174133 /nfs/dbraw/zinc/17/41/33/387174133.db2.gz SGYKIXZUPDLTTR-HUUCEWRRSA-N 2 1 248.370 2.473 20 0 BEADMP CC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccc(F)cc1 ZINC000423332621 387177937 /nfs/dbraw/zinc/17/79/37/387177937.db2.gz QUZYAOWGASFNLM-BXKDBHETSA-N 2 1 210.296 2.214 20 0 BEADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc2c(c1)COC2 ZINC000423331723 387178388 /nfs/dbraw/zinc/17/83/88/387178388.db2.gz UUADZNSIEMLYLW-BMIGLBTASA-N 2 1 246.354 2.105 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000423334897 387181481 /nfs/dbraw/zinc/18/14/81/387181481.db2.gz SWZCQTNHALXBBV-XBFCOCLRSA-N 2 1 248.370 2.169 20 0 BEADMP Cc1ccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cn1 ZINC000228859945 387135028 /nfs/dbraw/zinc/13/50/28/387135028.db2.gz NQKDPGXJEONEIG-CQSZACIVSA-N 2 1 235.375 2.195 20 0 BEADMP Cc1ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cn1 ZINC000228859945 387135033 /nfs/dbraw/zinc/13/50/33/387135033.db2.gz NQKDPGXJEONEIG-CQSZACIVSA-N 2 1 235.375 2.195 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000423343265 387192066 /nfs/dbraw/zinc/19/20/66/387192066.db2.gz ZREOONYSWKBPIH-RKDXNWHRSA-N 2 1 220.307 2.137 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CC12CC2 ZINC000418105179 387135558 /nfs/dbraw/zinc/13/55/58/387135558.db2.gz XRMLBYOBTZNSEN-GFCCVEGCSA-N 2 1 231.343 2.037 20 0 BEADMP Cc1cncc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000423354356 387205786 /nfs/dbraw/zinc/20/57/86/387205786.db2.gz CTDBJKQVAIAJOY-TZMCWYRMSA-N 2 1 233.359 2.183 20 0 BEADMP FCCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423356741 387207771 /nfs/dbraw/zinc/20/77/71/387207771.db2.gz KFPNQBQZAQQYRB-UPJWGTAASA-N 2 1 228.355 2.246 20 0 BEADMP COc1ccccc1[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423358660 387210630 /nfs/dbraw/zinc/21/06/30/387210630.db2.gz JPULKXICIQWBSU-CHWSQXEVSA-N 2 1 248.370 2.488 20 0 BEADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](C)C[NH3+] ZINC000423358239 387210844 /nfs/dbraw/zinc/21/08/44/387210844.db2.gz BPCYENNSRJQPHE-HZMBPMFUSA-N 2 1 234.343 2.009 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000423360861 387212784 /nfs/dbraw/zinc/21/27/84/387212784.db2.gz LRIDZLKLTOJQDZ-MRTXSQPYSA-N 2 1 224.392 2.399 20 0 BEADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@@H](C)C[NH3+] ZINC000423361921 387213585 /nfs/dbraw/zinc/21/35/85/387213585.db2.gz HAYKVJULAOCKMS-IINYFYTJSA-N 2 1 248.370 2.354 20 0 BEADMP CC[NH2+]CCC[NH2+][C@@H](CC)c1ccc(F)cn1 ZINC000571991813 387216402 /nfs/dbraw/zinc/21/64/02/387216402.db2.gz XHZADAKFZPWHFE-LBPRGKRZSA-N 2 1 239.338 2.261 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ncccc2C)C1 ZINC000093178910 387218133 /nfs/dbraw/zinc/21/81/33/387218133.db2.gz NABVUUZITKKYKQ-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ncccc2C)C1 ZINC000093178910 387218141 /nfs/dbraw/zinc/21/81/41/387218141.db2.gz NABVUUZITKKYKQ-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ncccc2C)C1 ZINC000093178910 387218149 /nfs/dbraw/zinc/21/81/49/387218149.db2.gz NABVUUZITKKYKQ-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC000093178910 387218152 /nfs/dbraw/zinc/21/81/52/387218152.db2.gz NABVUUZITKKYKQ-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ncccc2C)C1 ZINC000093178910 387218157 /nfs/dbraw/zinc/21/81/57/387218157.db2.gz NABVUUZITKKYKQ-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP CCO[C@H]1C[C@H]([NH2+][C@@H](C)C[NH3+])C12CCCCC2 ZINC000423369801 387223666 /nfs/dbraw/zinc/22/36/66/387223666.db2.gz OSELUCJGJXTKJE-AVGNSLFASA-N 2 1 240.391 2.051 20 0 BEADMP CC[NH2+][C@H](C)C[NH2+][C@@H]1C[C@@H](OC)C1(CC)CC ZINC000423369438 387224850 /nfs/dbraw/zinc/22/48/50/387224850.db2.gz CDLCWVUJRGOJEJ-JHJVBQTASA-N 2 1 242.407 2.168 20 0 BEADMP c1ccc2c(c1)CCC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC000643497135 387228286 /nfs/dbraw/zinc/22/82/86/387228286.db2.gz BBRBJKNFUIOHKF-HZPDHXFCSA-N 2 1 244.382 2.276 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]21 ZINC000230048685 387229352 /nfs/dbraw/zinc/22/93/52/387229352.db2.gz WBTDBTBXAMNBMC-AEGPPILISA-N 2 1 248.345 2.385 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)o1 ZINC000423373685 387229313 /nfs/dbraw/zinc/22/93/13/387229313.db2.gz JIYQQHNBOIVZJX-ADEWGFFLSA-N 2 1 222.332 2.379 20 0 BEADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423396369 387231572 /nfs/dbraw/zinc/23/15/72/387231572.db2.gz NTLOHPVGHGVRRJ-RBDSIQFVSA-N 2 1 248.370 2.124 20 0 BEADMP C[NH2+][C@@H](C)C[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000423400856 387234398 /nfs/dbraw/zinc/23/43/98/387234398.db2.gz VIPGREXGSLBIMT-DZGCQCFKSA-N 2 1 234.387 2.451 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C2CC(F)(F)C2)[C@@H]2CCC[C@H]21 ZINC000353589577 387235885 /nfs/dbraw/zinc/23/58/85/387235885.db2.gz QPASCCIQXJCPGO-SDDRHHMPSA-N 2 1 244.329 2.247 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000423405216 387239907 /nfs/dbraw/zinc/23/99/07/387239907.db2.gz SWZCQTNHALXBBV-UBHSHLNASA-N 2 1 248.370 2.169 20 0 BEADMP C[C@@H](Cc1cccc(O)c1)[NH2+]C1CC[NH+](C)CC1 ZINC000360245000 387249910 /nfs/dbraw/zinc/24/99/10/387249910.db2.gz JLHBAOHAVAQABT-LBPRGKRZSA-N 2 1 248.370 2.007 20 0 BEADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCC2 ZINC000423424284 387250439 /nfs/dbraw/zinc/25/04/39/387250439.db2.gz FRJVYXWKJPRXAR-QXSJWSMHSA-N 2 1 242.366 2.180 20 0 BEADMP Cc1cc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc(C)c1F ZINC000423424173 387250487 /nfs/dbraw/zinc/25/04/87/387250487.db2.gz FLJPKNPPPNRTJS-PBOSXPJTSA-N 2 1 248.345 2.311 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000423463620 387311123 /nfs/dbraw/zinc/31/11/23/387311123.db2.gz LKMVYXQPYRKHDN-YPMHNXCESA-N 2 1 206.333 2.383 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H](CC)c1ccccc1 ZINC000423467642 387314276 /nfs/dbraw/zinc/31/42/76/387314276.db2.gz NZKSLINVPWGMBA-CHWSQXEVSA-N 2 1 206.333 2.465 20 0 BEADMP CC1(C)C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc21 ZINC000423430249 387254864 /nfs/dbraw/zinc/25/48/64/387254864.db2.gz KSXSDWLXIGYHTN-OSRDXIQISA-N 2 1 242.366 2.216 20 0 BEADMP COC[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)C(C)C ZINC000423378345 387259197 /nfs/dbraw/zinc/25/91/97/387259197.db2.gz FRKNUNVXGGYUAJ-STQMWFEESA-N 2 1 242.407 2.025 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CCCC2CC2)CC[N@H+]1C ZINC000161713314 387260138 /nfs/dbraw/zinc/26/01/38/387260138.db2.gz WSAYBROODFHCRM-YPMHNXCESA-N 2 1 210.365 2.249 20 0 BEADMP COc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])CC2 ZINC000423433331 387283302 /nfs/dbraw/zinc/28/33/02/387283302.db2.gz CDFWBGOGGGEWDB-GPCCPHFNSA-N 2 1 234.343 2.008 20 0 BEADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])CC2 ZINC000423433334 387283519 /nfs/dbraw/zinc/28/35/19/387283519.db2.gz CDFWBGOGGGEWDB-PKFCDNJMSA-N 2 1 234.343 2.008 20 0 BEADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc2c(s1)CCC2 ZINC000423434526 387285589 /nfs/dbraw/zinc/28/55/89/387285589.db2.gz OCBVZWJIWCOOPT-HJUHTLPRSA-N 2 1 248.395 2.105 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)c1 ZINC000423434559 387286194 /nfs/dbraw/zinc/28/61/94/387286194.db2.gz ODZUYGCBYXXUAU-RZFFKMDDSA-N 2 1 230.355 2.172 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000423440081 387291243 /nfs/dbraw/zinc/29/12/43/387291243.db2.gz AKSVCCJNACQXET-MWLCHTKSSA-N 2 1 240.322 2.222 20 0 BEADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])CCC2 ZINC000423441793 387292368 /nfs/dbraw/zinc/29/23/68/387292368.db2.gz JKSIABRQEXZYOX-OYNCUSHFSA-N 2 1 239.388 2.154 20 0 BEADMP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000423443100 387292585 /nfs/dbraw/zinc/29/25/85/387292585.db2.gz VKOISWVMZNVDBZ-RQJABVFESA-N 2 1 248.757 2.135 20 0 BEADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000423442104 387293221 /nfs/dbraw/zinc/29/32/21/387293221.db2.gz UVWOSLYSMQCTLT-BYCMXARLSA-N 2 1 247.386 2.238 20 0 BEADMP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423447770 387296458 /nfs/dbraw/zinc/29/64/58/387296458.db2.gz AHVKRTXOQXLNTF-KLLIRPSPSA-N 2 1 242.366 2.351 20 0 BEADMP CC(C)c1ccc(C[NH2+][C@@H](C)C[NH3+])cc1 ZINC000162043899 387298010 /nfs/dbraw/zinc/29/80/10/387298010.db2.gz WQZRBJAUQPAAQT-NSHDSACASA-N 2 1 206.333 2.247 20 0 BEADMP COc1cc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])ccc1F ZINC000423448171 387298155 /nfs/dbraw/zinc/29/81/55/387298155.db2.gz PWYAJYCYBNRANC-BBBLOLIVSA-N 2 1 240.322 2.221 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCCOc2ccccc21)[C@H](C)[NH3+] ZINC000423451465 387299744 /nfs/dbraw/zinc/29/97/44/387299744.db2.gz VDXJYBAMJOOLPJ-LOWVWBTDSA-N 2 1 234.343 2.226 20 0 BEADMP CCC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1cccnc1 ZINC000423453729 387301084 /nfs/dbraw/zinc/30/10/84/387301084.db2.gz XYFNCFFRBRKSRF-MDZLAQPJSA-N 2 1 221.348 2.248 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000423461636 387307890 /nfs/dbraw/zinc/30/78/90/387307890.db2.gz JZMJYXLXHYLHET-GWCFXTLKSA-N 2 1 249.358 2.033 20 0 BEADMP CCC[C@H](C)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352539756 387308021 /nfs/dbraw/zinc/30/80/21/387308021.db2.gz CMAJSUOCDKYPOS-KBPBESRZSA-N 2 1 224.392 2.498 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000423461640 387308379 /nfs/dbraw/zinc/30/83/79/387308379.db2.gz JZMJYXLXHYLHET-MFKMUULPSA-N 2 1 249.358 2.033 20 0 BEADMP CC[C@H]1C[C@@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)CCO1 ZINC000648590278 387360519 /nfs/dbraw/zinc/36/05/19/387360519.db2.gz CFHZLLANZGWQEZ-IHRRRGAJSA-N 2 1 242.407 2.262 20 0 BEADMP CC[C@H]1C[C@@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)CCO1 ZINC000648590278 387360523 /nfs/dbraw/zinc/36/05/23/387360523.db2.gz CFHZLLANZGWQEZ-IHRRRGAJSA-N 2 1 242.407 2.262 20 0 BEADMP CC(C)C1CC([NH2+]C[C@H]2CCCC[NH2+]2)C1 ZINC000643502605 387365827 /nfs/dbraw/zinc/36/58/27/387365827.db2.gz LKCOMWMONHISPI-OTTFEQOBSA-N 2 1 210.365 2.153 20 0 BEADMP C([NH2+][C@@H]1CCCC12CCC2)[C@@H]1CCCC[NH2+]1 ZINC000643502693 387368615 /nfs/dbraw/zinc/36/86/15/387368615.db2.gz OCYKOBCUWQNEFH-QWHCGFSZSA-N 2 1 222.376 2.441 20 0 BEADMP C([NH2+][C@H]1CCCC12CCC2)[C@H]1CCCC[NH2+]1 ZINC000643502692 387368754 /nfs/dbraw/zinc/36/87/54/387368754.db2.gz OCYKOBCUWQNEFH-OLZOCXBDSA-N 2 1 222.376 2.441 20 0 BEADMP CCC[C@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccccn1 ZINC000643453405 387368933 /nfs/dbraw/zinc/36/89/33/387368933.db2.gz QFBGVMYKUVGYQZ-RISCZKNCSA-N 2 1 233.359 2.120 20 0 BEADMP Cc1ccnc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)c1 ZINC000423548640 387369594 /nfs/dbraw/zinc/36/95/94/387369594.db2.gz HBCAGAIUAKRJGJ-GFCCVEGCSA-N 2 1 233.359 2.183 20 0 BEADMP Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000643454111 387382464 /nfs/dbraw/zinc/38/24/64/387382464.db2.gz WCKDPCSAZNOWIT-VGMNWLOBSA-N 2 1 225.336 2.068 20 0 BEADMP CCC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1cccnc1 ZINC000423476432 387324423 /nfs/dbraw/zinc/32/44/23/387324423.db2.gz SLMKHJAJAOUSFI-QWHCGFSZSA-N 2 1 221.348 2.250 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423502398 387342129 /nfs/dbraw/zinc/34/21/29/387342129.db2.gz LWAXFCXTLLHNRB-RAIGVLPGSA-N 2 1 210.365 2.282 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@H]1CCC12CCC2)C1CCCC1 ZINC000423504068 387343364 /nfs/dbraw/zinc/34/33/64/387343364.db2.gz NJBPYMYPBTYQGK-STQMWFEESA-N 2 1 222.376 2.426 20 0 BEADMP CC[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423504390 387343495 /nfs/dbraw/zinc/34/34/95/387343495.db2.gz GGEQUFXQVFQHAZ-KWCYVHTRSA-N 2 1 218.344 2.130 20 0 BEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccncc1 ZINC000423502140 387343617 /nfs/dbraw/zinc/34/36/17/387343617.db2.gz LUOZEOXQCBYZSM-SMDDNHRTSA-N 2 1 233.359 2.250 20 0 BEADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)s1 ZINC000643500826 387345902 /nfs/dbraw/zinc/34/59/02/387345902.db2.gz XZDNXLKLEDCIRG-GXSJLCMTSA-N 2 1 239.388 2.102 20 0 BEADMP C[C@@H](Cc1ccoc1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423518743 387353450 /nfs/dbraw/zinc/35/34/50/387353450.db2.gz ZRKOGZUNLVFRIU-FZMZJTMJSA-N 2 1 236.359 2.318 20 0 BEADMP CCSCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000121865770 387425302 /nfs/dbraw/zinc/42/53/02/387425302.db2.gz RUWVDMSCNJBRQB-CYBMUJFWSA-N 2 1 242.432 2.157 20 0 BEADMP CC[C@@H](Cc1cccs1)[NH2+]CC[NH2+]C1CC1 ZINC000643506644 387462108 /nfs/dbraw/zinc/46/21/08/387462108.db2.gz DPAYUKZKGFBVII-NSHDSACASA-N 2 1 238.400 2.411 20 0 BEADMP CC(C)c1cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])on1 ZINC000643455188 387390461 /nfs/dbraw/zinc/39/04/61/387390461.db2.gz DSINFAZVFKPNMI-CMPLNLGQSA-N 2 1 237.347 2.015 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000082845896 387391856 /nfs/dbraw/zinc/39/18/56/387391856.db2.gz JBHJTWQDTNZBKZ-YVECIDJPSA-N 2 1 210.365 2.153 20 0 BEADMP Cc1ccc2c(c1)CC[N@H+](CCn1ccnc1)C2 ZINC000336571100 387395611 /nfs/dbraw/zinc/39/56/11/387395611.db2.gz SJHUDEVSGLVVIJ-UHFFFAOYSA-N 2 1 241.338 2.250 20 0 BEADMP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000361071062 387396992 /nfs/dbraw/zinc/39/69/92/387396992.db2.gz ZVGFHAZYWLXNTB-BFHYXJOUSA-N 2 1 242.407 2.120 20 0 BEADMP C[C@@H]1CC([NH2+]CC[NH2+]C2CC2)C[C@@H](C)C1 ZINC000643506746 387460582 /nfs/dbraw/zinc/46/05/82/387460582.db2.gz HGQKRQHALLEVMZ-QWRGUYRKSA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)[C@H]1CCC[C@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643506909 387460637 /nfs/dbraw/zinc/46/06/37/387460637.db2.gz MIROEFOKNHEXSY-CHWSQXEVSA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)C1CC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000300046382 387522331 /nfs/dbraw/zinc/52/23/31/387522331.db2.gz ULXBDYQRRGDCIX-ZIHBUVQPSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)C1CC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000300046382 387522334 /nfs/dbraw/zinc/52/23/34/387522334.db2.gz ULXBDYQRRGDCIX-ZIHBUVQPSA-N 2 1 224.392 2.493 20 0 BEADMP CC[C@]1(C)CC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000399498853 387532792 /nfs/dbraw/zinc/53/27/92/387532792.db2.gz XDIIBABDEWAASW-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1CC[N@@H+](CC2(F)CC2)C[C@H]1n1ccnc1 ZINC000527220055 387535106 /nfs/dbraw/zinc/53/51/06/387535106.db2.gz RQXBENSFSZHNFW-NWDGAFQWSA-N 2 1 237.322 2.268 20 0 BEADMP c1ccc(C[C@@H]([NH2+]CC[NH2+]C2CC2)C2CC2)cc1 ZINC000643506848 387463420 /nfs/dbraw/zinc/46/34/20/387463420.db2.gz KDGNHQXTMODXOK-MRXNPFEDSA-N 2 1 244.382 2.349 20 0 BEADMP CC[C@@H](Cc1ccccc1)[NH2+]CC[NH2+]C1CC1 ZINC000643506118 387465370 /nfs/dbraw/zinc/46/53/70/387465370.db2.gz KYVCCZDIZAZGDF-AWEZNQCLSA-N 2 1 232.371 2.349 20 0 BEADMP CC(C)=CCC[C@@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643506057 387466808 /nfs/dbraw/zinc/46/68/08/387466808.db2.gz JLCHHAZHOGOFQE-GFCCVEGCSA-N 2 1 210.365 2.463 20 0 BEADMP C(C[NH2+][C@H]1CCC[C@H](C2CC2)C1)[NH2+]C1CC1 ZINC000643507066 387475113 /nfs/dbraw/zinc/47/51/13/387475113.db2.gz RBWQRYYJHSCZRN-JSGCOSHPSA-N 2 1 222.376 2.297 20 0 BEADMP CCc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)cn1 ZINC000352781219 387478209 /nfs/dbraw/zinc/47/82/09/387478209.db2.gz SGWYLLMTQFNKOZ-CQSZACIVSA-N 2 1 247.386 2.075 20 0 BEADMP CCc1ccc(C[NH2+]C[C@H]2CC[N@H+](CC)C2)cn1 ZINC000352781219 387478214 /nfs/dbraw/zinc/47/82/14/387478214.db2.gz SGWYLLMTQFNKOZ-CQSZACIVSA-N 2 1 247.386 2.075 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC[N@@H+]1C ZINC000304424143 387478393 /nfs/dbraw/zinc/47/83/93/387478393.db2.gz AHHRONQSITVESW-XGFWRYKXSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC[N@H+]1C ZINC000304424143 387478397 /nfs/dbraw/zinc/47/83/97/387478397.db2.gz AHHRONQSITVESW-XGFWRYKXSA-N 2 1 222.376 2.247 20 0 BEADMP C(C[NH2+][C@H]1CCCC[C@H]1C1CC1)[NH2+]C1CC1 ZINC000643507713 387479344 /nfs/dbraw/zinc/47/93/44/387479344.db2.gz NNXXWUOEGHKYJA-KBPBESRZSA-N 2 1 222.376 2.297 20 0 BEADMP CCC[C@@H]([NH2+]CC[NH2+]C1CC1)C1CCC1 ZINC000643507850 387479986 /nfs/dbraw/zinc/47/99/86/387479986.db2.gz RPNOWNLTTWKDNY-CYBMUJFWSA-N 2 1 210.365 2.297 20 0 BEADMP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507792 387480606 /nfs/dbraw/zinc/48/06/06/387480606.db2.gz PPVRZWCQUAPLFP-VXGBXAGGSA-N 2 1 210.365 2.153 20 0 BEADMP C(C[NH2+][C@@H]1CCCC[C@H]1C1CC1)[NH2+]C1CC1 ZINC000643507715 387480624 /nfs/dbraw/zinc/48/06/24/387480624.db2.gz NNXXWUOEGHKYJA-UONOGXRCSA-N 2 1 222.376 2.297 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCCCF)C[C@@H]21 ZINC000304454833 387482039 /nfs/dbraw/zinc/48/20/39/387482039.db2.gz YQCXOTJPHUITKO-FRRDWIJNSA-N 2 1 228.355 2.185 20 0 BEADMP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC[NH2+]C2CC2)C1 ZINC000643508067 387484330 /nfs/dbraw/zinc/48/43/30/387484330.db2.gz HSZLKGZOQBTDTP-WZRBSPASSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H](CCCC(F)(F)F)[NH2+]CC[NH2+]C1CC1 ZINC000643507412 387484411 /nfs/dbraw/zinc/48/44/11/387484411.db2.gz CFRRFAJGFHMRHJ-VIFPVBQESA-N 2 1 238.297 2.449 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1CCCCC1 ZINC000396699818 387485817 /nfs/dbraw/zinc/48/58/17/387485817.db2.gz KSGLJVOKWHGDRC-WCQYABFASA-N 2 1 210.365 2.297 20 0 BEADMP Cc1ncc([C@@H](C)[NH2+]CCC[NH2+]C(C)C)s1 ZINC000643508287 387489243 /nfs/dbraw/zinc/48/92/43/387489243.db2.gz CFVHAICZLMWSEL-SNVBAGLBSA-N 2 1 241.404 2.490 20 0 BEADMP C[N@@H+](CCCCF)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375754955 387580174 /nfs/dbraw/zinc/58/01/74/387580174.db2.gz DYOXKUFTXHCHFG-FUNVUKJBSA-N 2 1 228.355 2.293 20 0 BEADMP C[NH+](CCCCF)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375754955 387580177 /nfs/dbraw/zinc/58/01/77/387580177.db2.gz DYOXKUFTXHCHFG-FUNVUKJBSA-N 2 1 228.355 2.293 20 0 BEADMP C[NH+](CCCCF)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375754955 387580184 /nfs/dbraw/zinc/58/01/84/387580184.db2.gz DYOXKUFTXHCHFG-FUNVUKJBSA-N 2 1 228.355 2.293 20 0 BEADMP CCc1ccc(CC[N@@H+]2CCC[C@@H]2C[NH2+]C)cc1 ZINC000430547110 387628223 /nfs/dbraw/zinc/62/82/23/387628223.db2.gz SYBVENCCRBGJFL-MRXNPFEDSA-N 2 1 246.398 2.475 20 0 BEADMP CCc1ccc(CC[N@H+]2CCC[C@@H]2C[NH2+]C)cc1 ZINC000430547110 387628228 /nfs/dbraw/zinc/62/82/28/387628228.db2.gz SYBVENCCRBGJFL-MRXNPFEDSA-N 2 1 246.398 2.475 20 0 BEADMP [NH3+]C[C@@H]([NH2+][C@H]1CCCc2ccccc2C1)C1CC1 ZINC000643512854 387595915 /nfs/dbraw/zinc/59/59/15/387595915.db2.gz DGEWECCOQOHZGN-JKSUJKDBSA-N 2 1 244.382 2.261 20 0 BEADMP CC(C)([NH3+])C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000643513136 387596013 /nfs/dbraw/zinc/59/60/13/387596013.db2.gz MZKBXJQWCDFGSP-GFCCVEGCSA-N 2 1 240.297 2.279 20 0 BEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCC1 ZINC000123945728 387599940 /nfs/dbraw/zinc/59/99/40/387599940.db2.gz NFYCYGBPVWDOJO-HLVVYCRESA-N 2 1 222.376 2.390 20 0 BEADMP CCOC[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000376031429 387603646 /nfs/dbraw/zinc/60/36/46/387603646.db2.gz WAJJIVHTWWUHFR-IYXRBSQSSA-N 2 1 240.391 2.018 20 0 BEADMP COCCCCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422640732 387611196 /nfs/dbraw/zinc/61/11/96/387611196.db2.gz WAARMPRBJJSJSQ-IHRRRGAJSA-N 2 1 242.407 2.108 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c(C)c1 ZINC000422700401 387614914 /nfs/dbraw/zinc/61/49/14/387614914.db2.gz GWSZRCKLZMBSCZ-BBRMVZONSA-N 2 1 246.398 2.434 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)nc1 ZINC000399681348 387565161 /nfs/dbraw/zinc/56/51/61/387565161.db2.gz QMRKWKXDZGXPJN-DZGCQCFKSA-N 2 1 247.386 2.005 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000356254201 387633725 /nfs/dbraw/zinc/63/37/25/387633725.db2.gz HHKFCHBXIWPNMY-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000356254201 387633731 /nfs/dbraw/zinc/63/37/31/387633731.db2.gz HHKFCHBXIWPNMY-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CC(C)OCCC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000430645221 387636518 /nfs/dbraw/zinc/63/65/18/387636518.db2.gz ZXQDHWKMEKRDTP-STQMWFEESA-N 2 1 228.380 2.003 20 0 BEADMP CC(C)OCCC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000430645221 387636522 /nfs/dbraw/zinc/63/65/22/387636522.db2.gz ZXQDHWKMEKRDTP-STQMWFEESA-N 2 1 228.380 2.003 20 0 BEADMP CC(C)CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422735837 387643634 /nfs/dbraw/zinc/64/36/34/387643634.db2.gz WUCHUONLJVGLAE-JTQLQIEISA-N 2 1 207.321 2.191 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527668000 387653871 /nfs/dbraw/zinc/65/38/71/387653871.db2.gz SOTNFLBSYZJUIK-VEESAYDSSA-N 2 1 236.403 2.493 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527668000 387653874 /nfs/dbraw/zinc/65/38/74/387653874.db2.gz SOTNFLBSYZJUIK-VEESAYDSSA-N 2 1 236.403 2.493 20 0 BEADMP Cc1ccccc1OCCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430924293 387662001 /nfs/dbraw/zinc/66/20/01/387662001.db2.gz AATSZAWQOYAEAX-CQSZACIVSA-N 2 1 248.370 2.045 20 0 BEADMP Cc1ccccc1OCCC[N@@H+](C)[C@@H](C)CN ZINC000430966648 387664689 /nfs/dbraw/zinc/66/46/89/387664689.db2.gz PEVZEJDAVUBSFP-ZDUSSCGKSA-N 2 1 236.359 2.043 20 0 BEADMP Cc1ccccc1OCCC[N@H+](C)[C@@H](C)CN ZINC000430966648 387664692 /nfs/dbraw/zinc/66/46/92/387664692.db2.gz PEVZEJDAVUBSFP-ZDUSSCGKSA-N 2 1 236.359 2.043 20 0 BEADMP Cc1ccccc1OCCC[N@@H+](C)[C@@H](C)C[NH3+] ZINC000430966648 387664698 /nfs/dbraw/zinc/66/46/98/387664698.db2.gz PEVZEJDAVUBSFP-ZDUSSCGKSA-N 2 1 236.359 2.043 20 0 BEADMP Cc1ccccc1OCCC[N@H+](C)[C@@H](C)C[NH3+] ZINC000430966648 387664699 /nfs/dbraw/zinc/66/46/99/387664699.db2.gz PEVZEJDAVUBSFP-ZDUSSCGKSA-N 2 1 236.359 2.043 20 0 BEADMP CC[C@H]([NH2+]CCOc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422768195 387667409 /nfs/dbraw/zinc/66/74/09/387667409.db2.gz ZDNKYZWNEIQALA-GJZGRUSLSA-N 2 1 248.370 2.186 20 0 BEADMP CC[C@@H]([NH2+]CCOCCC(C)C)[C@@H]1CCC[NH2+]1 ZINC000422776213 387671970 /nfs/dbraw/zinc/67/19/70/387671970.db2.gz CFRRLKFYNJFUMV-KGLIPLIRSA-N 2 1 242.407 2.169 20 0 BEADMP COc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422774398 387672985 /nfs/dbraw/zinc/67/29/85/387672985.db2.gz WVFFQHAHDVPESI-HUUCEWRRSA-N 2 1 248.370 2.445 20 0 BEADMP C[NH+](C)CCC[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000362928934 387675334 /nfs/dbraw/zinc/67/53/34/387675334.db2.gz YBYJFUMBEQQARM-UHFFFAOYSA-N 2 1 249.333 2.348 20 0 BEADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422782186 387681670 /nfs/dbraw/zinc/68/16/70/387681670.db2.gz JNXBMIXBICHWIF-RYUDHWBXSA-N 2 1 248.370 2.262 20 0 BEADMP C1=CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000527742484 387686776 /nfs/dbraw/zinc/68/67/76/387686776.db2.gz BQNDOLTUBLAUGA-ZIAGYGMSSA-N 2 1 220.360 2.169 20 0 BEADMP CCSCC[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000377126585 387691675 /nfs/dbraw/zinc/69/16/75/387691675.db2.gz KJTVNKQYZBMLQC-STQMWFEESA-N 2 1 242.432 2.156 20 0 BEADMP CCSCC[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000377126585 387691683 /nfs/dbraw/zinc/69/16/83/387691683.db2.gz KJTVNKQYZBMLQC-STQMWFEESA-N 2 1 242.432 2.156 20 0 BEADMP CCSCC[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000377126585 387691690 /nfs/dbraw/zinc/69/16/90/387691690.db2.gz KJTVNKQYZBMLQC-STQMWFEESA-N 2 1 242.432 2.156 20 0 BEADMP CCc1noc(CC)c1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422869654 387749060 /nfs/dbraw/zinc/74/90/60/387749060.db2.gz WOHWLPWXEXZXTF-VHSXEESVSA-N 2 1 239.363 2.015 20 0 BEADMP CCCOc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643526307 387749692 /nfs/dbraw/zinc/74/96/92/387749692.db2.gz YYKAHDUDARGASG-NWDGAFQWSA-N 2 1 236.359 2.473 20 0 BEADMP CCOc1cc(C)ccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422872494 387751798 /nfs/dbraw/zinc/75/17/98/387751798.db2.gz HHTVNTWVFMTAPA-LBPRGKRZSA-N 2 1 248.370 2.091 20 0 BEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CC12CC2 ZINC000527845772 387751938 /nfs/dbraw/zinc/75/19/38/387751938.db2.gz JKJFMHBZOWMRJY-FZMZJTMJSA-N 2 1 234.387 2.391 20 0 BEADMP COc1cc(C)ccc1C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000422872728 387753162 /nfs/dbraw/zinc/75/31/62/387753162.db2.gz IKOWHEBHMJXTGU-STQMWFEESA-N 2 1 248.370 2.091 20 0 BEADMP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](C)[NH3+])c1 ZINC000643525705 387753503 /nfs/dbraw/zinc/75/35/03/387753503.db2.gz BNJTVRMEHZGOAF-RYUDHWBXSA-N 2 1 206.333 2.301 20 0 BEADMP Cc1ccc2[nH]c(C[NH2+][C@H](C)C[C@@H](C)[NH3+])nc2c1 ZINC000422801779 387701977 /nfs/dbraw/zinc/70/19/77/387701977.db2.gz AOCWFZIVNRZFMS-GHMZBOCLSA-N 2 1 246.358 2.087 20 0 BEADMP Cc1ccc2nc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])[nH]c2c1 ZINC000422801779 387701980 /nfs/dbraw/zinc/70/19/80/387701980.db2.gz AOCWFZIVNRZFMS-GHMZBOCLSA-N 2 1 246.358 2.087 20 0 BEADMP Cc1ccc2[nH]c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])nc2c1 ZINC000422801792 387702788 /nfs/dbraw/zinc/70/27/88/387702788.db2.gz AOCWFZIVNRZFMS-QWRGUYRKSA-N 2 1 246.358 2.087 20 0 BEADMP Cc1ccc2nc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])[nH]c2c1 ZINC000422801792 387702795 /nfs/dbraw/zinc/70/27/95/387702795.db2.gz AOCWFZIVNRZFMS-QWRGUYRKSA-N 2 1 246.358 2.087 20 0 BEADMP CC[C@H](F)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000440794359 387703439 /nfs/dbraw/zinc/70/34/39/387703439.db2.gz YWIRSZCHBBCMLD-RWMBFGLXSA-N 2 1 228.355 2.151 20 0 BEADMP CC[C@H](F)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000440794359 387703441 /nfs/dbraw/zinc/70/34/41/387703441.db2.gz YWIRSZCHBBCMLD-RWMBFGLXSA-N 2 1 228.355 2.151 20 0 BEADMP CC[C@H](F)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000440794359 387703445 /nfs/dbraw/zinc/70/34/45/387703445.db2.gz YWIRSZCHBBCMLD-RWMBFGLXSA-N 2 1 228.355 2.151 20 0 BEADMP CC[C@H](F)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000440794359 387703446 /nfs/dbraw/zinc/70/34/46/387703446.db2.gz YWIRSZCHBBCMLD-RWMBFGLXSA-N 2 1 228.355 2.151 20 0 BEADMP CCOCc1ccccc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422810919 387707573 /nfs/dbraw/zinc/70/75/73/387707573.db2.gz SMOBHGQAPZPHBP-GJZGRUSLSA-N 2 1 248.370 2.193 20 0 BEADMP CCOCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422810921 387709695 /nfs/dbraw/zinc/70/96/95/387709695.db2.gz SMOBHGQAPZPHBP-LSDHHAIUSA-N 2 1 248.370 2.193 20 0 BEADMP CCO[C@H](CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000422814303 387710981 /nfs/dbraw/zinc/71/09/81/387710981.db2.gz UFQDSVVEBQCIBZ-MGPQQGTHSA-N 2 1 242.407 2.025 20 0 BEADMP C[C@@H]([NH2+][C@H]1CCCSC1)[C@@H]1CCCC[NH2+]1 ZINC000422816925 387715614 /nfs/dbraw/zinc/71/56/14/387715614.db2.gz GMCNBOHMFLGPMO-WOPDTQHZSA-N 2 1 228.405 2.002 20 0 BEADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643525988 387755518 /nfs/dbraw/zinc/75/55/18/387755518.db2.gz LRCRJBDTVFXYFK-GHMZBOCLSA-N 2 1 206.333 2.247 20 0 BEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCS1 ZINC000128074624 387734627 /nfs/dbraw/zinc/73/46/27/387734627.db2.gz RUXARMORPGJVPC-AVGNSLFASA-N 2 1 240.416 2.098 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCSc2ccccc21 ZINC000643526083 387755956 /nfs/dbraw/zinc/75/59/56/387755956.db2.gz OVXPAYCHWLZDHM-MWLCHTKSSA-N 2 1 222.357 2.160 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c(C)n1 ZINC000643525817 387755966 /nfs/dbraw/zinc/75/59/66/387755966.db2.gz QQQHSBNKUWMOEJ-UBHSHLNASA-N 2 1 247.386 2.490 20 0 BEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000643524465 387737496 /nfs/dbraw/zinc/73/74/96/387737496.db2.gz LDJBZJZSNXUGQC-MRVWCRGKSA-N 2 1 245.370 2.047 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@H]1CC12CC2 ZINC000527862170 387738392 /nfs/dbraw/zinc/73/83/92/387738392.db2.gz NKFANLPBBKSVMO-YNEHKIRRSA-N 2 1 222.376 2.106 20 0 BEADMP CC[C@H]([NH2+]C[C@@H](C)[NH3+])c1cccc(C)c1 ZINC000643527169 387763797 /nfs/dbraw/zinc/76/37/97/387763797.db2.gz KGMVFEDZVIBKHU-YPMHNXCESA-N 2 1 206.333 2.383 20 0 BEADMP C[C@H](C[C@H]1CCCO1)[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422899028 387765166 /nfs/dbraw/zinc/76/51/66/387765166.db2.gz GRUYVYFGXWAUBB-GRYCIOLGSA-N 2 1 249.358 2.102 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000643527593 387766484 /nfs/dbraw/zinc/76/64/84/387766484.db2.gz OZLGTBNTKIEOCR-GBIKHYSHSA-N 2 1 204.317 2.172 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000643527610 387766690 /nfs/dbraw/zinc/76/66/90/387766690.db2.gz PFBUEJOUNSRWRJ-IINYFYTJSA-N 2 1 243.354 2.482 20 0 BEADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc2c(c1)CCC2 ZINC000643528852 387772346 /nfs/dbraw/zinc/77/23/46/387772346.db2.gz QESSTFQQGSKVFW-WDEREUQCSA-N 2 1 218.344 2.173 20 0 BEADMP CC[C@@H]([NH2+]C[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000643529218 387774701 /nfs/dbraw/zinc/77/47/01/387774701.db2.gz WZSLMNJQCYBMHK-GXFFZTMASA-N 2 1 222.332 2.083 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000643528165 387775510 /nfs/dbraw/zinc/77/55/10/387775510.db2.gz DUFHKGIIYBRKKM-FZMZJTMJSA-N 2 1 218.344 2.465 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CC=CC2)[C@H](C)C1 ZINC000527947912 387783209 /nfs/dbraw/zinc/78/32/09/387783209.db2.gz YPBHELZWLULDJB-TZMCWYRMSA-N 2 1 222.376 2.273 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CC=CC1 ZINC000527946999 387783669 /nfs/dbraw/zinc/78/36/69/387783669.db2.gz WEBOSCMHYLRRJE-BZPMIXESSA-N 2 1 222.376 2.271 20 0 BEADMP CC[C@H](C)C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432355721 387784047 /nfs/dbraw/zinc/78/40/47/387784047.db2.gz FRBJMOZQWFEERC-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CC12CC2 ZINC000527918347 387788483 /nfs/dbraw/zinc/78/84/83/387788483.db2.gz WDLKUYWBIJRZNZ-MELADBBJSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432419049 387788804 /nfs/dbraw/zinc/78/88/04/387788804.db2.gz YNWDYLQKTANEIR-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432419049 387788809 /nfs/dbraw/zinc/78/88/09/387788809.db2.gz YNWDYLQKTANEIR-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@H](CC[N@H+]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000050245564 387794205 /nfs/dbraw/zinc/79/42/05/387794205.db2.gz KRYJPHUVKDNLFB-ZIAGYGMSSA-N 2 1 232.371 2.461 20 0 BEADMP Cc1ncccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000527983051 387799510 /nfs/dbraw/zinc/79/95/10/387799510.db2.gz BTTHFXRXLHLRCQ-SLEUVZQESA-N 2 1 247.386 2.208 20 0 BEADMP Cc1ncccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000527983051 387799514 /nfs/dbraw/zinc/79/95/14/387799514.db2.gz BTTHFXRXLHLRCQ-SLEUVZQESA-N 2 1 247.386 2.208 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000422995006 387802392 /nfs/dbraw/zinc/80/23/92/387802392.db2.gz WUJJJHQGJTUXDI-VWYCJHECSA-N 2 1 232.318 2.152 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(C)CCCC1 ZINC000422959978 387811085 /nfs/dbraw/zinc/81/10/85/387811085.db2.gz UWQYRMSXGVTIFU-RYUDHWBXSA-N 2 1 210.365 2.154 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432796992 387821622 /nfs/dbraw/zinc/82/16/22/387821622.db2.gz JMJIMIQSQHVICG-AGIUHOORSA-N 2 1 210.365 2.059 20 0 BEADMP Cc1occc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000320976992 387824367 /nfs/dbraw/zinc/82/43/67/387824367.db2.gz PKGYZTRRVQZIIA-KGLIPLIRSA-N 2 1 234.343 2.304 20 0 BEADMP Cc1occc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000320976992 387824372 /nfs/dbraw/zinc/82/43/72/387824372.db2.gz PKGYZTRRVQZIIA-KGLIPLIRSA-N 2 1 234.343 2.304 20 0 BEADMP Cc1cnccc1CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423008384 387831627 /nfs/dbraw/zinc/83/16/27/387831627.db2.gz ABJOKCJOCZNILF-ZFWWWQNUSA-N 2 1 247.386 2.053 20 0 BEADMP Cc1ccc(CC[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000442763712 387834900 /nfs/dbraw/zinc/83/49/00/387834900.db2.gz JBIZKZFUJNSJKW-ZFWWWQNUSA-N 2 1 232.371 2.207 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1C ZINC000151457667 387844513 /nfs/dbraw/zinc/84/45/13/387844513.db2.gz KCBPYTBPDAFZAE-YNEHKIRRSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CC1(C)C ZINC000423028417 387846309 /nfs/dbraw/zinc/84/63/09/387846309.db2.gz QNULUENBKBLQMY-YUTCNCBUSA-N 2 1 232.371 2.333 20 0 BEADMP CCc1cccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193606537 387859175 /nfs/dbraw/zinc/85/91/75/387859175.db2.gz SPXBULGKVAQJPK-IYBDPMFKSA-N 2 1 244.382 2.242 20 0 BEADMP CCc1cccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193606537 387859179 /nfs/dbraw/zinc/85/91/79/387859179.db2.gz SPXBULGKVAQJPK-IYBDPMFKSA-N 2 1 244.382 2.242 20 0 BEADMP CC(C)C(C)(C)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423056450 387861721 /nfs/dbraw/zinc/86/17/21/387861721.db2.gz FTJRTFJFYUMYMQ-VXGBXAGGSA-N 2 1 212.381 2.256 20 0 BEADMP C[C@@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)c1ccncc1 ZINC000643460404 387874669 /nfs/dbraw/zinc/87/46/69/387874669.db2.gz ZYXDZLHLFCCFAZ-GZBFAFLISA-N 2 1 247.386 2.305 20 0 BEADMP Cc1cc(NC[C@H]2CC[N@H+]2C2CCCC2)cc[nH+]1 ZINC000528205926 387868264 /nfs/dbraw/zinc/86/82/64/387868264.db2.gz ATLFPJQGAODOMQ-OAHLLOKOSA-N 2 1 245.370 2.241 20 0 BEADMP CCC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000157783754 387872211 /nfs/dbraw/zinc/87/22/11/387872211.db2.gz ZAJNUGLUQJHGEL-YNEHKIRRSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC1=CCCCC1 ZINC000422968402 387818676 /nfs/dbraw/zinc/81/86/76/387818676.db2.gz WSPVZXIUMCHGDX-TZMCWYRMSA-N 2 1 222.376 2.465 20 0 BEADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423105669 387891096 /nfs/dbraw/zinc/89/10/96/387891096.db2.gz ZFNQESXXNPYYIA-MROQNXINSA-N 2 1 210.365 2.010 20 0 BEADMP CCSCCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423113724 387896048 /nfs/dbraw/zinc/89/60/48/387896048.db2.gz LAJNPECYDANICG-SNVBAGLBSA-N 2 1 239.388 2.288 20 0 BEADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000423089069 387880884 /nfs/dbraw/zinc/88/08/84/387880884.db2.gz RNUHYBCHOUAMFT-RBSFLKMASA-N 2 1 248.370 2.234 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])c(C)n1 ZINC000643539853 387881379 /nfs/dbraw/zinc/88/13/79/387881379.db2.gz DPVOLNCOJYZGBL-UMNHJUIQSA-N 2 1 221.348 2.085 20 0 BEADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000157893814 387881654 /nfs/dbraw/zinc/88/16/54/387881654.db2.gz MCRPDVMSLZZPJJ-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H](CCC[NH3+])[NH2+]CC(F)(F)c1ccccc1 ZINC000423123740 387902109 /nfs/dbraw/zinc/90/21/09/387902109.db2.gz NCWUYMLMFMIIBC-NSHDSACASA-N 2 1 242.313 2.495 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1c[nH+]ccc1N ZINC000423126728 387904785 /nfs/dbraw/zinc/90/47/85/387904785.db2.gz OQEGATQCHPJKEQ-IVZWLZJFSA-N 2 1 223.295 2.035 20 0 BEADMP COCC(C)(C)CCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423133094 387909827 /nfs/dbraw/zinc/90/98/27/387909827.db2.gz VIGPLBVWFFEPBP-QWHCGFSZSA-N 2 1 242.407 2.027 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423157185 387936090 /nfs/dbraw/zinc/93/60/90/387936090.db2.gz UUHQBVFTHYRFLI-MXWKQRLJSA-N 2 1 219.332 2.191 20 0 BEADMP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423157449 387936435 /nfs/dbraw/zinc/93/64/35/387936435.db2.gz BDABJYVZVUMSHB-YIYPIFLZSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H](C)C1CC1 ZINC000423157979 387936610 /nfs/dbraw/zinc/93/66/10/387936610.db2.gz NICNIYODDGTYPX-XUJVJEKNSA-N 2 1 232.371 2.333 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)[C@H]1CCC[NH2+]1 ZINC000423157824 387936640 /nfs/dbraw/zinc/93/66/40/387936640.db2.gz VYKSHUMMMFJIRX-OUAUKWLOSA-N 2 1 232.318 2.152 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000321042981 387936727 /nfs/dbraw/zinc/93/67/27/387936727.db2.gz FOTWEPLOBQCXGB-LPWJVIDDSA-N 2 1 212.381 2.349 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000321042981 387936731 /nfs/dbraw/zinc/93/67/31/387936731.db2.gz FOTWEPLOBQCXGB-LPWJVIDDSA-N 2 1 212.381 2.349 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000423157823 387936843 /nfs/dbraw/zinc/93/68/43/387936843.db2.gz VYKSHUMMMFJIRX-MXWKQRLJSA-N 2 1 232.318 2.152 20 0 BEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H](C)C1CC1 ZINC000423157976 387936904 /nfs/dbraw/zinc/93/69/04/387936904.db2.gz NICNIYODDGTYPX-JMSVASOKSA-N 2 1 232.371 2.333 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC=CCC2)CC[N@H+]1C ZINC000156121120 387920520 /nfs/dbraw/zinc/92/05/20/387920520.db2.gz MZSIJNWCHHIZIM-HZSPNIEDSA-N 2 1 222.376 2.415 20 0 BEADMP CC[C@H]([NH2+]CCC(C)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423145318 387922704 /nfs/dbraw/zinc/92/27/04/387922704.db2.gz KBTKKJGNATWCMO-UWVGGRQHSA-N 2 1 220.307 2.152 20 0 BEADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000423145448 387923586 /nfs/dbraw/zinc/92/35/86/387923586.db2.gz KROIIFBEYNSCBR-RHYQMDGZSA-N 2 1 214.328 2.127 20 0 BEADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423148230 387924409 /nfs/dbraw/zinc/92/44/09/387924409.db2.gz FLCPQBANONRXSD-SRVKXCTJSA-N 2 1 233.359 2.437 20 0 BEADMP CC(C)(C)c1ccncc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423171047 387956086 /nfs/dbraw/zinc/95/60/86/387956086.db2.gz NGPDSKQSVFBGMB-KBPBESRZSA-N 2 1 247.386 2.349 20 0 BEADMP CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423161875 387943809 /nfs/dbraw/zinc/94/38/09/387943809.db2.gz JWFXHAZBWPOBPU-AAVRWANBSA-N 2 1 240.391 2.064 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@H]1C[C@H]1C ZINC000321098379 387946875 /nfs/dbraw/zinc/94/68/75/387946875.db2.gz ONXSTUJIIKINSD-BYNQJWBRSA-N 2 1 222.376 2.105 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1C[C@@H]1C ZINC000321097754 387947297 /nfs/dbraw/zinc/94/72/97/387947297.db2.gz OKQWFHGOOLBSSH-JURCDPSOSA-N 2 1 236.403 2.495 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2C=CCCC2)C1 ZINC000245466132 387947680 /nfs/dbraw/zinc/94/76/80/387947680.db2.gz YVCXIVFZSRNSGZ-ZIAGYGMSSA-N 2 1 222.376 2.369 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000245466132 387947687 /nfs/dbraw/zinc/94/76/87/387947687.db2.gz YVCXIVFZSRNSGZ-ZIAGYGMSSA-N 2 1 222.376 2.369 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000245466132 387947692 /nfs/dbraw/zinc/94/76/92/387947692.db2.gz YVCXIVFZSRNSGZ-ZIAGYGMSSA-N 2 1 222.376 2.369 20 0 BEADMP C[C@H](CC(C)(C)C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423166159 387949527 /nfs/dbraw/zinc/94/95/27/387949527.db2.gz QSHZZWLEYUCRRX-IJLUTSLNSA-N 2 1 212.381 2.399 20 0 BEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423172604 387959595 /nfs/dbraw/zinc/95/95/95/387959595.db2.gz UIDACVXTIHHOPG-UMSGYPCISA-N 2 1 210.365 2.009 20 0 BEADMP CC[C@@H]([NH2+]CC[NH3+])c1ccc(OC(F)F)cc1 ZINC000423176527 387961200 /nfs/dbraw/zinc/96/12/00/387961200.db2.gz GHTHUCXIDDSZAN-LLVKDONJSA-N 2 1 244.285 2.287 20 0 BEADMP C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1c[nH+]ccc1N ZINC000423176922 387962131 /nfs/dbraw/zinc/96/21/31/387962131.db2.gz GOVNBPPBISSRSJ-UTLUCORTSA-N 2 1 237.372 2.039 20 0 BEADMP CC[C@H]([NH2+]CC[NH3+])c1ccc(OC(F)F)cc1 ZINC000423176528 387962512 /nfs/dbraw/zinc/96/25/12/387962512.db2.gz GHTHUCXIDDSZAN-NSHDSACASA-N 2 1 244.285 2.287 20 0 BEADMP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CC[NH3+] ZINC000423178783 387963609 /nfs/dbraw/zinc/96/36/09/387963609.db2.gz GQCFMYTXXGDWKS-QMMMGPOBSA-N 2 1 247.169 2.473 20 0 BEADMP [NH3+]CC[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000423178475 387964899 /nfs/dbraw/zinc/96/48/99/387964899.db2.gz GFECBRCDCKUXKB-AWEZNQCLSA-N 2 1 218.344 2.466 20 0 BEADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@@H]1C)CC(F)(F)F ZINC000423182881 387968308 /nfs/dbraw/zinc/96/83/08/387968308.db2.gz LVOSINCBDSENEB-GUBZILKMSA-N 2 1 238.297 2.163 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)[C@H](C)C1 ZINC000424319585 387968845 /nfs/dbraw/zinc/96/88/45/387968845.db2.gz FEKSCFMAMSUSRE-UQOMUDLDSA-N 2 1 236.403 2.495 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)[C@@H](C)C1 ZINC000424319584 387969272 /nfs/dbraw/zinc/96/92/72/387969272.db2.gz FEKSCFMAMSUSRE-SPWCGHHHSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424321180 387969808 /nfs/dbraw/zinc/96/98/08/387969808.db2.gz GYAODFBZGZXMSR-GBIGGCNCSA-N 2 1 236.403 2.493 20 0 BEADMP C[C@@H]([NH2+]CC[NH3+])C1(c2ccccc2)CCCC1 ZINC000423195618 387979398 /nfs/dbraw/zinc/97/93/98/387979398.db2.gz ZRJSKRFNFCDFHE-CYBMUJFWSA-N 2 1 232.371 2.435 20 0 BEADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CC[NH3+] ZINC000423190173 387976145 /nfs/dbraw/zinc/97/61/45/387976145.db2.gz SBTXYYAFDGZOHH-UWVGGRQHSA-N 2 1 226.751 2.380 20 0 BEADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[NH3+] ZINC000423193442 387977413 /nfs/dbraw/zinc/97/74/13/387977413.db2.gz WLMSSTFOBLLGLW-VIFPVBQESA-N 2 1 246.276 2.185 20 0 BEADMP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423192142 387977862 /nfs/dbraw/zinc/97/78/62/387977862.db2.gz PNYDHRXVCVLODA-QWHCGFSZSA-N 2 1 210.365 2.463 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453068861 387977885 /nfs/dbraw/zinc/97/78/85/387977885.db2.gz TVYMFRFXPSYVCW-WFASDCNBSA-N 2 1 236.403 2.497 20 0 BEADMP [NH3+]CC[NH2+][C@H]1CCC[C@@H]1CCc1ccccc1 ZINC000423192453 387978115 /nfs/dbraw/zinc/97/81/15/387978115.db2.gz VLMQWCPZVZMARG-CABCVRRESA-N 2 1 232.371 2.336 20 0 BEADMP CC[C@H](C)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000251798060 135078307 /nfs/dbraw/zinc/07/83/07/135078307.db2.gz KHIXURKDGLDEJI-STQMWFEESA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@H]([NH2+]CCC[NH2+]C)c1ccccc1F ZINC000423197760 387983326 /nfs/dbraw/zinc/98/33/26/387983326.db2.gz AXUXVCSUVGHMMX-ZDUSSCGKSA-N 2 1 224.323 2.476 20 0 BEADMP C[NH2+]CCC[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000423198931 387986607 /nfs/dbraw/zinc/98/66/07/387986607.db2.gz IRHBPRSRPIDRDC-CQSZACIVSA-N 2 1 235.375 2.368 20 0 BEADMP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)o1 ZINC000423214269 387997661 /nfs/dbraw/zinc/99/76/61/387997661.db2.gz ONUOKAWJENTOTP-NEPJUHHUSA-N 2 1 236.359 2.492 20 0 BEADMP COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156567931 387999084 /nfs/dbraw/zinc/99/90/84/387999084.db2.gz NRNSRKRTDPIDDY-YNEHKIRRSA-N 2 1 242.407 2.262 20 0 BEADMP COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156567931 387999087 /nfs/dbraw/zinc/99/90/87/387999087.db2.gz NRNSRKRTDPIDDY-YNEHKIRRSA-N 2 1 242.407 2.262 20 0 BEADMP COC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156568173 388000488 /nfs/dbraw/zinc/00/04/88/388000488.db2.gz NRNSRKRTDPIDDY-XQQFMLRXSA-N 2 1 242.407 2.262 20 0 BEADMP COC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156568173 388000491 /nfs/dbraw/zinc/00/04/91/388000491.db2.gz NRNSRKRTDPIDDY-XQQFMLRXSA-N 2 1 242.407 2.262 20 0 BEADMP Cc1ccccc1C[C@H]([NH2+][C@H]1CC[NH2+]C1)C1CC1 ZINC000423219019 388000528 /nfs/dbraw/zinc/00/05/28/388000528.db2.gz VMEXWWZPMMHYRI-HOTGVXAUSA-N 2 1 244.382 2.268 20 0 BEADMP CC[N@H+]1C[C@@H](C)[C@H](Nc2ccc3c(c2)CCN3)C1 ZINC000423222101 388002580 /nfs/dbraw/zinc/00/25/80/388002580.db2.gz ZRVRZFMNICRMQJ-IAQYHMDHSA-N 2 1 245.370 2.407 20 0 BEADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccncc1 ZINC000453182893 388004297 /nfs/dbraw/zinc/00/42/97/388004297.db2.gz SRHPFTUUMXCDGC-HNNXBMFYSA-N 2 1 245.370 2.384 20 0 BEADMP C[NH2+]CC[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000423226522 388009401 /nfs/dbraw/zinc/00/94/01/388009401.db2.gz RBHFIRKJNYIBGA-KBPBESRZSA-N 2 1 232.371 2.378 20 0 BEADMP C[NH2+]CC[NH2+][C@H]1CC[C@H](CCC(C)C)C1 ZINC000423240999 388024254 /nfs/dbraw/zinc/02/42/54/388024254.db2.gz HPARBXCEGDGTJI-STQMWFEESA-N 2 1 212.381 2.400 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CC ZINC000423240050 388024447 /nfs/dbraw/zinc/02/44/47/388024447.db2.gz GXPISTKSAPNJLK-FRRDWIJNSA-N 2 1 212.381 2.400 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1CCCC12CCCC2 ZINC000423242152 388024607 /nfs/dbraw/zinc/02/46/07/388024607.db2.gz VJWJQRHXBAQVCB-GFCCVEGCSA-N 2 1 210.365 2.298 20 0 BEADMP CC[C@H]([NH2+]CC[N@H+](CC)C(C)C)C1CC1 ZINC000156644538 388014851 /nfs/dbraw/zinc/01/48/51/388014851.db2.gz SXLSFVFMQWSLEO-ZDUSSCGKSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H]([NH2+]CC[N@@H+](CC)C(C)C)C1CC1 ZINC000156644538 388014854 /nfs/dbraw/zinc/01/48/54/388014854.db2.gz SXLSFVFMQWSLEO-ZDUSSCGKSA-N 2 1 212.381 2.495 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1CC ZINC000423234885 388018301 /nfs/dbraw/zinc/01/83/01/388018301.db2.gz MMEHYDNGAZFZOG-FRRDWIJNSA-N 2 1 212.381 2.400 20 0 BEADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000423234164 388018768 /nfs/dbraw/zinc/01/87/68/388018768.db2.gz LEIBLOQNITXRID-RYUDHWBXSA-N 2 1 216.344 2.104 20 0 BEADMP C[NH2+]CC[NH2+][C@H]1CCCC12CCCCC2 ZINC000423251584 388032820 /nfs/dbraw/zinc/03/28/20/388032820.db2.gz WEBKWWAMEZFDDQ-LBPRGKRZSA-N 2 1 210.365 2.298 20 0 BEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1C2CCC1CC2 ZINC000533237355 388034000 /nfs/dbraw/zinc/03/40/00/388034000.db2.gz QTNBTJPCXIYXFK-HSBZDZAISA-N 2 1 222.376 2.488 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H](C)CC1CC1 ZINC000156803084 388035240 /nfs/dbraw/zinc/03/52/40/388035240.db2.gz FODOFLJONFVTMT-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)CC1CC1 ZINC000156803084 388035243 /nfs/dbraw/zinc/03/52/43/388035243.db2.gz FODOFLJONFVTMT-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000423265606 388044492 /nfs/dbraw/zinc/04/44/92/388044492.db2.gz CJWNUNQMSOXOCA-GXSJLCMTSA-N 2 1 224.348 2.403 20 0 BEADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423262796 388040716 /nfs/dbraw/zinc/04/07/16/388040716.db2.gz NLSRMKIHVJKQDC-MJBXVCDLSA-N 2 1 242.407 2.155 20 0 BEADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)C1CC1 ZINC000423264607 388042370 /nfs/dbraw/zinc/04/23/70/388042370.db2.gz AJDZYAITTHYXSX-ZIAGYGMSSA-N 2 1 234.318 2.140 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccs1 ZINC000423264270 388042827 /nfs/dbraw/zinc/04/28/27/388042827.db2.gz PSELINBPAPZJCZ-UWVGGRQHSA-N 2 1 212.362 2.382 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCc2ccccc21)C1CC1 ZINC000423265093 388043297 /nfs/dbraw/zinc/04/32/97/388043297.db2.gz AROJGWSSTMMKAP-CABCVRRESA-N 2 1 230.355 2.391 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)s1 ZINC000423271995 388051280 /nfs/dbraw/zinc/05/12/80/388051280.db2.gz HTNKCFALGKBOMX-ONGXEEELSA-N 2 1 224.373 2.444 20 0 BEADMP Cc1ccsc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423273453 388052551 /nfs/dbraw/zinc/05/25/51/388052551.db2.gz IXGZCBRQGFYHON-KOLCDFICSA-N 2 1 224.373 2.444 20 0 BEADMP COc1ccc2c(c1)[C@H]([NH2+][C@H](C[NH3+])C1CC1)CC2 ZINC000423274397 388054485 /nfs/dbraw/zinc/05/44/85/388054485.db2.gz KIIRVPIUDZWFFQ-HUUCEWRRSA-N 2 1 246.354 2.009 20 0 BEADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C[NH3+])C1CC1)CC2 ZINC000423274395 388055815 /nfs/dbraw/zinc/05/58/15/388055815.db2.gz KIIRVPIUDZWFFQ-CABCVRRESA-N 2 1 246.354 2.009 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccsc1 ZINC000423278041 388060714 /nfs/dbraw/zinc/06/07/14/388060714.db2.gz QKLWMWITFQPYDS-GXSJLCMTSA-N 2 1 212.362 2.382 20 0 BEADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423279910 388062125 /nfs/dbraw/zinc/06/21/25/388062125.db2.gz SBDNXNZYRQQANB-GJZGRUSLSA-N 2 1 230.355 2.309 20 0 BEADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000083846962 388063540 /nfs/dbraw/zinc/06/35/40/388063540.db2.gz UBNLTTQUHWZOGZ-NDNKKMJESA-N 2 1 222.376 2.390 20 0 BEADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000083846962 388063542 /nfs/dbraw/zinc/06/35/42/388063542.db2.gz UBNLTTQUHWZOGZ-NDNKKMJESA-N 2 1 222.376 2.390 20 0 BEADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccccc1N(C)C ZINC000423282522 388065284 /nfs/dbraw/zinc/06/52/84/388065284.db2.gz VITHVKPVKWFCBX-BXUZGUMPSA-N 2 1 247.386 2.141 20 0 BEADMP [NH3+]C[C@H]1CC[N@H+](Cc2sccc2Cl)C1 ZINC000261527776 135152205 /nfs/dbraw/zinc/15/22/05/135152205.db2.gz HBNIGZUHLDZMCV-MRVPVSSYSA-N 2 1 230.764 2.182 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2sccc2Cl)C1 ZINC000261527776 135152207 /nfs/dbraw/zinc/15/22/07/135152207.db2.gz HBNIGZUHLDZMCV-MRVPVSSYSA-N 2 1 230.764 2.182 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000453382602 388065766 /nfs/dbraw/zinc/06/57/66/388065766.db2.gz ZGAWKLKUJCFQBH-VJFWYMLFSA-N 2 1 236.403 2.351 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@@H](C[NH3+])C2CC2)[C@H]1C ZINC000423284610 388067677 /nfs/dbraw/zinc/06/76/77/388067677.db2.gz XBMNOWDEKJABFA-URBCHYCLSA-N 2 1 210.365 2.138 20 0 BEADMP [NH3+]C[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)C1CC1 ZINC000423285157 388069072 /nfs/dbraw/zinc/06/90/72/388069072.db2.gz XSFOWALXGCLWRK-UONOGXRCSA-N 2 1 246.354 2.097 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cccc(F)c1F ZINC000423285048 388069559 /nfs/dbraw/zinc/06/95/59/388069559.db2.gz ZFIHLJCKOSLSHF-NXEZZACHSA-N 2 1 242.313 2.471 20 0 BEADMP C[C@H]1CC[C@H](C)[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000084048323 388070152 /nfs/dbraw/zinc/07/01/52/388070152.db2.gz OKOUGHNLHWSCFE-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP COCCC[C@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000453396491 388071224 /nfs/dbraw/zinc/07/12/24/388071224.db2.gz KRSWRDJOMIYTPZ-ZDUSSCGKSA-N 2 1 242.407 2.266 20 0 BEADMP COCCC[C@H](C)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000453396491 388071226 /nfs/dbraw/zinc/07/12/26/388071226.db2.gz KRSWRDJOMIYTPZ-ZDUSSCGKSA-N 2 1 242.407 2.266 20 0 BEADMP Cc1nc(C)c([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)s1 ZINC000423286224 388071405 /nfs/dbraw/zinc/07/14/05/388071405.db2.gz ZZWNRBGLIHSTAD-LDYMZIIASA-N 2 1 239.388 2.148 20 0 BEADMP Cc1cc[nH+]c(N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000084213371 388073051 /nfs/dbraw/zinc/07/30/51/388073051.db2.gz GXRMPCVWQYTFKT-RYUDHWBXSA-N 2 1 219.332 2.319 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000084204156 388073284 /nfs/dbraw/zinc/07/32/84/388073284.db2.gz BKOLLYXTMPGIGK-DOMZBBRYSA-N 2 1 232.371 2.418 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453432676 388082010 /nfs/dbraw/zinc/08/20/10/388082010.db2.gz SBRCTWXFJFAMAX-JQWIXIFHSA-N 2 1 246.345 2.352 20 0 BEADMP CC[C@]1(C(C)C)C[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000453469184 388083672 /nfs/dbraw/zinc/08/36/72/388083672.db2.gz ZXDNVAGXDOAQBW-UONOGXRCSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453593806 388088104 /nfs/dbraw/zinc/08/81/04/388088104.db2.gz HSZOLIWMWXNPRL-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1C[C@H]1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453593808 388089001 /nfs/dbraw/zinc/08/90/01/388089001.db2.gz HSZOLIWMWXNPRL-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP C[N@@H+](CCCC[NH2+]Cc1cccc(O)c1)C1CC1 ZINC000453606106 388090904 /nfs/dbraw/zinc/09/09/04/388090904.db2.gz UQIJNVJUMMYOTK-UHFFFAOYSA-N 2 1 248.370 2.356 20 0 BEADMP C[C@@H](C1CC1)[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000086702091 388106405 /nfs/dbraw/zinc/10/64/05/388106405.db2.gz AFNZHKSFAWKEKD-NSHDSACASA-N 2 1 222.376 2.249 20 0 BEADMP CC(C)[N@@H+](CC1CCC1)CC1CC[NH2+]CC1 ZINC000086703451 388106903 /nfs/dbraw/zinc/10/69/03/388106903.db2.gz HFAKGVYNTGEMLQ-UHFFFAOYSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H](CC[NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000086729951 388108409 /nfs/dbraw/zinc/10/84/09/388108409.db2.gz BCXJVEYGINOXNH-TZMCWYRMSA-N 2 1 218.344 2.132 20 0 BEADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000083055357 388044805 /nfs/dbraw/zinc/04/48/05/388044805.db2.gz RAHDGGYINUALNY-AWEZNQCLSA-N 2 1 222.376 2.391 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccccc1OC ZINC000423267069 388046042 /nfs/dbraw/zinc/04/60/42/388046042.db2.gz DTHOHZGOZJBPQL-NWDGAFQWSA-N 2 1 236.359 2.201 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@H]1CCC12CCCC2)C1CC1 ZINC000423267639 388046332 /nfs/dbraw/zinc/04/63/32/388046332.db2.gz CZLVLXWNHWQZBK-RYUDHWBXSA-N 2 1 208.349 2.036 20 0 BEADMP COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423266689 388046360 /nfs/dbraw/zinc/04/63/60/388046360.db2.gz BYCCHSYQVPFQHG-KBPBESRZSA-N 2 1 246.354 2.009 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000423268569 388048376 /nfs/dbraw/zinc/04/83/76/388048376.db2.gz UUOJCBMSFXIZOO-IJLUTSLNSA-N 2 1 212.381 2.384 20 0 BEADMP CC/C=C/C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000453332241 388048966 /nfs/dbraw/zinc/04/89/66/388048966.db2.gz VTNFZKLMTDQAFK-TUCADOHPSA-N 2 1 222.376 2.415 20 0 BEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1sccc1OC ZINC000423270356 388050111 /nfs/dbraw/zinc/05/01/11/388050111.db2.gz HVWDILRPXWPTFF-VHSXEESVSA-N 2 1 242.388 2.263 20 0 BEADMP CC[C@@H]([NH2+]C[C@@H](C)C[NH2+]C)c1ccc(F)cn1 ZINC000423272854 388050628 /nfs/dbraw/zinc/05/06/28/388050628.db2.gz KCZYISFFIDPNHW-CMPLNLGQSA-N 2 1 239.338 2.117 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000449330518 388174026 /nfs/dbraw/zinc/17/40/26/388174026.db2.gz UKSQVYFHWWCYKW-UPJWGTAASA-N 2 1 244.448 2.448 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000449330518 388174027 /nfs/dbraw/zinc/17/40/27/388174027.db2.gz UKSQVYFHWWCYKW-UPJWGTAASA-N 2 1 244.448 2.448 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCC(C)(F)F)[C@H](C)C1 ZINC000449354691 388179989 /nfs/dbraw/zinc/17/99/89/388179989.db2.gz QMSZPVNBDOJOGQ-MNOVXSKESA-N 2 1 234.334 2.352 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CSC[C@@H]1C ZINC000449071773 388138775 /nfs/dbraw/zinc/13/87/75/388138775.db2.gz IINHOPNZBYHKIL-QJPTWQEYSA-N 2 1 230.421 2.058 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)Cc1ccoc1 ZINC000449093093 388141055 /nfs/dbraw/zinc/14/10/55/388141055.db2.gz VFTRYJWKJCGKIO-GFCCVEGCSA-N 2 1 247.342 2.395 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cc1ccoc1 ZINC000449109142 388143842 /nfs/dbraw/zinc/14/38/42/388143842.db2.gz VHCQVYCZLZYERX-LLVKDONJSA-N 2 1 233.315 2.005 20 0 BEADMP CC[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000164666734 388242712 /nfs/dbraw/zinc/24/27/12/388242712.db2.gz WKFVIPSXGADKHY-LLVKDONJSA-N 2 1 209.337 2.360 20 0 BEADMP [NH3+]CC12CCC(CC1)C[N@H+]2CCc1ccccc1 ZINC000516584058 388358233 /nfs/dbraw/zinc/35/82/33/388358233.db2.gz NCKTZOTXOSZUEG-UHFFFAOYSA-N 2 1 244.382 2.432 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C(C)C)C2CC2)C1 ZINC000163304804 388360109 /nfs/dbraw/zinc/36/01/09/388360109.db2.gz ILCPYOIJGLQQJT-TZMCWYRMSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@H](CC[NH2+][C@@H](C)C[NH3+])c1ccccc1 ZINC000235131787 388364863 /nfs/dbraw/zinc/36/48/63/388364863.db2.gz IYPBDLLXAHPNQN-NEPJUHHUSA-N 2 1 206.333 2.117 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000235097974 388365403 /nfs/dbraw/zinc/36/54/03/388365403.db2.gz VRBYNXFJJCLYPK-GWCFXTLKSA-N 2 1 204.317 2.075 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000235099868 388365668 /nfs/dbraw/zinc/36/56/68/388365668.db2.gz JCMULZMCBMJUIK-YIZRAAEISA-N 2 1 224.270 2.044 20 0 BEADMP C[C@@H](CN)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000235145543 388365762 /nfs/dbraw/zinc/36/57/62/388365762.db2.gz XVARVRUSLBDWPE-IUCAKERBSA-N 2 1 212.724 2.338 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000235145543 388365766 /nfs/dbraw/zinc/36/57/66/388365766.db2.gz XVARVRUSLBDWPE-IUCAKERBSA-N 2 1 212.724 2.338 20 0 BEADMP C[C@H](CN)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000235462877 388369159 /nfs/dbraw/zinc/36/91/59/388369159.db2.gz VRBYNXFJJCLYPK-MFKMUULPSA-N 2 1 204.317 2.075 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000235462877 388369162 /nfs/dbraw/zinc/36/91/62/388369162.db2.gz VRBYNXFJJCLYPK-MFKMUULPSA-N 2 1 204.317 2.075 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000235463399 388369351 /nfs/dbraw/zinc/36/93/51/388369351.db2.gz JCMULZMCBMJUIK-HLTSFMKQSA-N 2 1 224.270 2.044 20 0 BEADMP C[C@H](CN)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000235459381 388369740 /nfs/dbraw/zinc/36/97/40/388369740.db2.gz UGZPMINODIKVSA-BDAKNGLRSA-N 2 1 244.285 2.286 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000235459381 388369741 /nfs/dbraw/zinc/36/97/41/388369741.db2.gz UGZPMINODIKVSA-BDAKNGLRSA-N 2 1 244.285 2.286 20 0 BEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000300799604 388395252 /nfs/dbraw/zinc/39/52/52/388395252.db2.gz CTRMBHOSIKMXJO-VWYCJHECSA-N 2 1 232.318 2.091 20 0 BEADMP C[N@@H+](C[C@H]1CCC(F)(F)C1)C1CC[NH2+]CC1 ZINC000300961929 388396138 /nfs/dbraw/zinc/39/61/38/388396138.db2.gz POVQHHJHIXMXNI-JTQLQIEISA-N 2 1 232.318 2.106 20 0 BEADMP CCC(C)(C)OCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000308550695 388442496 /nfs/dbraw/zinc/44/24/96/388442496.db2.gz WONAKGMROFODTE-CHWSQXEVSA-N 2 1 242.407 2.264 20 0 BEADMP CC(C)CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308612790 388445489 /nfs/dbraw/zinc/44/54/89/388445489.db2.gz DZCAFQCFHOIGCF-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP Fc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000335267497 388448996 /nfs/dbraw/zinc/44/89/96/388448996.db2.gz IKVHMPJVAUUNRO-OKILXGFUSA-N 2 1 248.345 2.257 20 0 BEADMP CC(C)CC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397307829 388458080 /nfs/dbraw/zinc/45/80/80/388458080.db2.gz HPVQPSZYMPRVBA-UPJWGTAASA-N 2 1 212.381 2.338 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCCCCF ZINC000336674020 388461367 /nfs/dbraw/zinc/46/13/67/388461367.db2.gz GYPLAGBCPJIJTE-NEPJUHHUSA-N 2 1 216.344 2.328 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@@H]1C ZINC000336686117 388462628 /nfs/dbraw/zinc/46/26/28/388462628.db2.gz UMULYPJBJVEETI-XGFWRYKXSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)[C@@H]1C ZINC000336686117 388462629 /nfs/dbraw/zinc/46/26/29/388462629.db2.gz UMULYPJBJVEETI-XGFWRYKXSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC000336702971 388465088 /nfs/dbraw/zinc/46/50/88/388465088.db2.gz QEGHCHDQGXSKQL-SJHCENCUSA-N 2 1 210.365 2.103 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC000336702971 388465089 /nfs/dbraw/zinc/46/50/89/388465089.db2.gz QEGHCHDQGXSKQL-SJHCENCUSA-N 2 1 210.365 2.103 20 0 BEADMP C[C@@H]([NH2+]CCF)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000336731413 388471412 /nfs/dbraw/zinc/47/14/12/388471412.db2.gz FHXVKXBPYJPLGX-VXGBXAGGSA-N 2 1 228.355 2.199 20 0 BEADMP C[C@@H]([NH2+]CCF)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000336731413 388471415 /nfs/dbraw/zinc/47/14/15/388471415.db2.gz FHXVKXBPYJPLGX-VXGBXAGGSA-N 2 1 228.355 2.199 20 0 BEADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)CO2 ZINC000573082368 388419013 /nfs/dbraw/zinc/41/90/13/388419013.db2.gz VZKMWNKJRWYVDO-OUCADQQQSA-N 2 1 246.354 2.016 20 0 BEADMP CC[C@](C)(C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)OC ZINC000322511801 388437092 /nfs/dbraw/zinc/43/70/92/388437092.db2.gz JBNQTNIHAQSPDG-IGQOVBAYSA-N 2 1 242.407 2.120 20 0 BEADMP F[C@@H]1CCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340529467 388492700 /nfs/dbraw/zinc/49/27/00/388492700.db2.gz JVIAENNPGYMVAX-LPWJVIDDSA-N 2 1 226.339 2.093 20 0 BEADMP F[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340529467 388492702 /nfs/dbraw/zinc/49/27/02/388492702.db2.gz JVIAENNPGYMVAX-LPWJVIDDSA-N 2 1 226.339 2.093 20 0 BEADMP F[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340529467 388492704 /nfs/dbraw/zinc/49/27/04/388492704.db2.gz JVIAENNPGYMVAX-LPWJVIDDSA-N 2 1 226.339 2.093 20 0 BEADMP [NH3+][C@H]1C[C@H]([NH2+]CCC2(O)CCC2)c2ccccc21 ZINC000397760390 388497363 /nfs/dbraw/zinc/49/73/63/388497363.db2.gz VHRWQHTTWXTASL-KBPBESRZSA-N 2 1 246.354 2.026 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+]CCc2c[nH+]cn2C)[C@@H]1C ZINC000347772787 388524264 /nfs/dbraw/zinc/52/42/64/388524264.db2.gz JWRRCZOZYWFEAG-BZPMIXESSA-N 2 1 235.375 2.377 20 0 BEADMP c1ccc([C@@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)nc1 ZINC000516973476 388530180 /nfs/dbraw/zinc/53/01/80/388530180.db2.gz UMTBJOILTKSCND-HIFRSBDPSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@@H]1C ZINC000245558746 388589196 /nfs/dbraw/zinc/58/91/96/388589196.db2.gz BHAIOBIZDVCTJN-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000245558746 388589197 /nfs/dbraw/zinc/58/91/97/388589197.db2.gz BHAIOBIZDVCTJN-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000245558746 388589199 /nfs/dbraw/zinc/58/91/99/388589199.db2.gz BHAIOBIZDVCTJN-HZSPNIEDSA-N 2 1 224.392 2.449 20 0 BEADMP CO[C@H](C[N@H+]1CC[C@H]([NH3+])C[C@H]1C)c1ccccc1 ZINC000379171136 388594946 /nfs/dbraw/zinc/59/49/46/388594946.db2.gz DIKNAXKSMCFXGE-VHDGCEQUSA-N 2 1 248.370 2.186 20 0 BEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)[C@H]1C ZINC000550307206 388605386 /nfs/dbraw/zinc/60/53/86/388605386.db2.gz RLLOCUSZKOQWCM-AGIUHOORSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC000550307206 388605388 /nfs/dbraw/zinc/60/53/88/388605388.db2.gz RLLOCUSZKOQWCM-AGIUHOORSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC000550307206 388605390 /nfs/dbraw/zinc/60/53/90/388605390.db2.gz RLLOCUSZKOQWCM-AGIUHOORSA-N 2 1 210.365 2.201 20 0 BEADMP Cc1cnccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000385066722 388573429 /nfs/dbraw/zinc/57/34/29/388573429.db2.gz VLZYHLVNVCLOOT-YIONKMFJSA-N 2 1 245.370 2.105 20 0 BEADMP Cc1cnccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000385066722 388573431 /nfs/dbraw/zinc/57/34/31/388573431.db2.gz VLZYHLVNVCLOOT-YIONKMFJSA-N 2 1 245.370 2.105 20 0 BEADMP Cc1ccnc([C@H](C)[NH2+]CCc2c[nH+]cn2C)c1 ZINC000552065708 388666208 /nfs/dbraw/zinc/66/62/08/388666208.db2.gz KNGMJJWKMDBZSL-LBPRGKRZSA-N 2 1 244.342 2.017 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCCO2)CC[N@H+]1C ZINC000248415647 388678333 /nfs/dbraw/zinc/67/83/33/388678333.db2.gz OLSMRPWOAZGNDL-HZSPNIEDSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H](CCc1ccco1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178663 388621755 /nfs/dbraw/zinc/62/17/55/388621755.db2.gz PNNCRCNOMWMRSK-TZMCWYRMSA-N 2 1 248.370 2.475 20 0 BEADMP C[C@H]1CC(F)(F)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000530208508 388626178 /nfs/dbraw/zinc/62/61/78/388626178.db2.gz UGQNGIFFXHIJDP-JTQLQIEISA-N 2 1 232.318 2.106 20 0 BEADMP C[C@@](C[NH3+])([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC000530206625 388627091 /nfs/dbraw/zinc/62/70/91/388627091.db2.gz AYVKKZVUEFZRNY-ZDUSSCGKSA-N 2 1 210.365 2.140 20 0 BEADMP C[N@@H+](CC1CC(C)(C)C1)CC(C)(C)C[NH3+] ZINC000530212156 388627518 /nfs/dbraw/zinc/62/75/18/388627518.db2.gz PELJMJOAWCGANP-UHFFFAOYSA-N 2 1 212.381 2.339 20 0 BEADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000083056091 388628780 /nfs/dbraw/zinc/62/87/80/388628780.db2.gz MLXSVSLGIWPQKK-DGCLKSJQSA-N 2 1 210.365 2.106 20 0 BEADMP CCC[N@@H+](Cc1ccncc1C)C1CC[NH2+]CC1 ZINC000530215730 388629593 /nfs/dbraw/zinc/62/95/93/388629593.db2.gz IHNIKPLEOBMLGG-UHFFFAOYSA-N 2 1 247.386 2.354 20 0 BEADMP CC1(C)CC(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000530220176 388631966 /nfs/dbraw/zinc/63/19/66/388631966.db2.gz LUBUQLGBXQZEDN-QWHCGFSZSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@@H]1CC(F)(F)CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000530233600 388636387 /nfs/dbraw/zinc/63/63/87/388636387.db2.gz YKGQSHXOEXZHOT-LLVKDONJSA-N 2 1 246.345 2.496 20 0 BEADMP Cc1cccc([C@H]([NH2+]CC[NH3+])C(C)C)c1 ZINC000530233845 388636434 /nfs/dbraw/zinc/63/64/34/388636434.db2.gz JGTZQIOHYURREL-CYBMUJFWSA-N 2 1 206.333 2.240 20 0 BEADMP C[C@H]1CC(F)(F)CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000530233560 388636660 /nfs/dbraw/zinc/63/66/60/388636660.db2.gz WYORXZBTEBOTBF-RYUDHWBXSA-N 2 1 246.345 2.496 20 0 BEADMP C[C@H]1CC(F)(F)CC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000530233638 388636837 /nfs/dbraw/zinc/63/68/37/388636837.db2.gz ZJKAFZUQXFLUQI-QWRGUYRKSA-N 2 1 232.318 2.106 20 0 BEADMP C[C@@H]1CC(F)(F)CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000530233307 388637148 /nfs/dbraw/zinc/63/71/48/388637148.db2.gz WYORXZBTEBOTBF-NEPJUHHUSA-N 2 1 246.345 2.496 20 0 BEADMP COCCC1CC[NH+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000530243526 388639019 /nfs/dbraw/zinc/63/90/19/388639019.db2.gz RUWCLBJIOJIYQD-CQSZACIVSA-N 2 1 242.407 2.108 20 0 BEADMP CCC(CC)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223284658 388649247 /nfs/dbraw/zinc/64/92/47/388649247.db2.gz DXBIIQRZHASUKU-WCQYABFASA-N 2 1 212.381 2.495 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCSC)[C@@H](C)C1 ZINC000246789508 388651385 /nfs/dbraw/zinc/65/13/85/388651385.db2.gz MGALPTRIMWGCIE-NWDGAFQWSA-N 2 1 230.421 2.012 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCSC)[C@@H](C)C1 ZINC000246789508 388651386 /nfs/dbraw/zinc/65/13/86/388651386.db2.gz MGALPTRIMWGCIE-NWDGAFQWSA-N 2 1 230.421 2.012 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCSC)[C@@H](C)C1 ZINC000246789508 388651387 /nfs/dbraw/zinc/65/13/87/388651387.db2.gz MGALPTRIMWGCIE-NWDGAFQWSA-N 2 1 230.421 2.012 20 0 BEADMP CCc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)o1 ZINC000530407214 388654011 /nfs/dbraw/zinc/65/40/11/388654011.db2.gz CDJSBUWMKMHVQK-LLVKDONJSA-N 2 1 247.342 2.469 20 0 BEADMP Cc1cncc([C@H](C)[NH2+]CCc2c[nH+]cn2C)c1 ZINC000530407274 388654135 /nfs/dbraw/zinc/65/41/35/388654135.db2.gz KCPVRDZHZXFLOB-LBPRGKRZSA-N 2 1 244.342 2.017 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)CCCOC ZINC000247001055 388656703 /nfs/dbraw/zinc/65/67/03/388656703.db2.gz LPOMWDGMTQPBRF-OLZOCXBDSA-N 2 1 230.396 2.121 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCCOC ZINC000247001055 388656705 /nfs/dbraw/zinc/65/67/05/388656705.db2.gz LPOMWDGMTQPBRF-OLZOCXBDSA-N 2 1 230.396 2.121 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C2CCC2)C1 ZINC000247137903 388659727 /nfs/dbraw/zinc/65/97/27/388659727.db2.gz SDQJFFZKWWRFBI-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)C2CC2)[C@@H](C)C1 ZINC000247311425 388661982 /nfs/dbraw/zinc/66/19/82/388661982.db2.gz KAAVRKKGRUQBIK-LOWVWBTDSA-N 2 1 210.365 2.105 20 0 BEADMP Cc1ccnc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c1 ZINC000552043848 388663709 /nfs/dbraw/zinc/66/37/09/388663709.db2.gz DCEVBWWEORKLGL-ZIAGYGMSSA-N 2 1 247.386 2.382 20 0 BEADMP Cc1ccnc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000552043848 388663714 /nfs/dbraw/zinc/66/37/14/388663714.db2.gz DCEVBWWEORKLGL-ZIAGYGMSSA-N 2 1 247.386 2.382 20 0 BEADMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000230001196 388810018 /nfs/dbraw/zinc/81/00/18/388810018.db2.gz PGKOEAXZHDIZHJ-HNNXBMFYSA-N 2 1 248.370 2.016 20 0 BEADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000252173819 388761256 /nfs/dbraw/zinc/76/12/56/388761256.db2.gz ONXDOIKKFHVVQH-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H](C1CC1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000252656620 388769776 /nfs/dbraw/zinc/76/97/76/388769776.db2.gz KKOOLZVGFCUJIQ-WCQYABFASA-N 2 1 210.365 2.201 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000228988278 388778071 /nfs/dbraw/zinc/77/80/71/388778071.db2.gz ISLWBCJGLUPLAK-YPMHNXCESA-N 2 1 212.381 2.339 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000554725230 388829457 /nfs/dbraw/zinc/82/94/57/388829457.db2.gz UBTMQNUYPPFIOD-VHDGCEQUSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccccc1 ZINC000232718939 388856192 /nfs/dbraw/zinc/85/61/92/388856192.db2.gz YYOUJZUUECYFDS-WCQYABFASA-N 2 1 206.333 2.321 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCC1CC1 ZINC000129728168 388868167 /nfs/dbraw/zinc/86/81/67/388868167.db2.gz NBLLYTJEBVIXJH-YPMHNXCESA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccoc1 ZINC000094868872 388874741 /nfs/dbraw/zinc/87/47/41/388874741.db2.gz JAJYPCRNVXSYEQ-RYUDHWBXSA-N 2 1 234.343 2.415 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccoc1 ZINC000094868872 388874743 /nfs/dbraw/zinc/87/47/43/388874743.db2.gz JAJYPCRNVXSYEQ-RYUDHWBXSA-N 2 1 234.343 2.415 20 0 BEADMP C[C@@H](Cc1ccsc1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000565762734 388967353 /nfs/dbraw/zinc/96/73/53/388967353.db2.gz FLKNQOKCUKQFPL-JOYOIKCWSA-N 2 1 224.373 2.006 20 0 BEADMP Cc1ccsc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271792723 389025254 /nfs/dbraw/zinc/02/52/54/389025254.db2.gz HDPSFSKDZMLRBI-UHFFFAOYSA-N 2 1 236.384 2.408 20 0 BEADMP C(=C/c1ccccc1)\C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261567883 533353119 /nfs/dbraw/zinc/35/31/19/533353119.db2.gz IUNQKCWCRVIKKQ-IEXSPKMKSA-N 2 1 242.366 2.385 20 0 BEADMP C(=C/c1ccccc1)\C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261567883 533353127 /nfs/dbraw/zinc/35/31/27/533353127.db2.gz IUNQKCWCRVIKKQ-IEXSPKMKSA-N 2 1 242.366 2.385 20 0 BEADMP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCCC1 ZINC000261560699 533365570 /nfs/dbraw/zinc/36/55/70/533365570.db2.gz AEJADTCRJHQOOG-KGLIPLIRSA-N 2 1 222.376 2.108 20 0 BEADMP C[C@H](F)CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000352050003 134045913 /nfs/dbraw/zinc/04/59/13/134045913.db2.gz PHZKIIJNTKAAHR-NWDGAFQWSA-N 2 1 216.344 2.008 20 0 BEADMP C[C@H](F)CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000352050003 134045914 /nfs/dbraw/zinc/04/59/14/134045914.db2.gz PHZKIIJNTKAAHR-NWDGAFQWSA-N 2 1 216.344 2.008 20 0 BEADMP C[C@H](F)CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000352050003 134045915 /nfs/dbraw/zinc/04/59/15/134045915.db2.gz PHZKIIJNTKAAHR-NWDGAFQWSA-N 2 1 216.344 2.008 20 0 BEADMP C[C@@H](F)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000352051354 134048093 /nfs/dbraw/zinc/04/80/93/134048093.db2.gz ZJQXEEBMTKIPAA-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP CC[NH+]1CCCC2(CCC[N@H+](CC)C2)C1 ZINC000336009297 134050420 /nfs/dbraw/zinc/05/04/20/134050420.db2.gz FAZIAEKKNHZIFY-UHFFFAOYSA-N 2 1 210.365 2.204 20 0 BEADMP Cc1oncc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000336137642 134096452 /nfs/dbraw/zinc/09/64/52/134096452.db2.gz WIXHLVVALCTQTL-PBWFPOADSA-N 2 1 249.358 2.040 20 0 BEADMP C[NH+](C)C1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000336192364 134124292 /nfs/dbraw/zinc/12/42/92/134124292.db2.gz KDBFYPFDSVBHJA-UHFFFAOYSA-N 2 1 232.318 2.058 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000353078045 134160557 /nfs/dbraw/zinc/16/05/57/134160557.db2.gz GNUJFZFGEHELEI-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000353078045 134160558 /nfs/dbraw/zinc/16/05/58/134160558.db2.gz GNUJFZFGEHELEI-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC000168520175 134225339 /nfs/dbraw/zinc/22/53/39/134225339.db2.gz CMCMKDNEIOXJQH-HHTDUIENSA-N 2 1 224.392 2.482 20 0 BEADMP [NH3+][C@@H]1CCC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000217493378 134246985 /nfs/dbraw/zinc/24/69/85/134246985.db2.gz KLMUQWHZPDMFFJ-UKRRQHHQSA-N 2 1 230.355 2.487 20 0 BEADMP [NH3+][C@@H]1CCC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000217493378 134246986 /nfs/dbraw/zinc/24/69/86/134246986.db2.gz KLMUQWHZPDMFFJ-UKRRQHHQSA-N 2 1 230.355 2.487 20 0 BEADMP C[Si](C)(C)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172652032 134266923 /nfs/dbraw/zinc/26/69/23/134266923.db2.gz KDQXEIRTYYXFBK-CYBMUJFWSA-N 2 1 240.467 2.282 20 0 BEADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC000175593129 134288009 /nfs/dbraw/zinc/28/80/09/134288009.db2.gz XDKTWDFQOAUADG-HNFQPOCMSA-N 2 1 228.767 2.298 20 0 BEADMP CCCC(O)(CCC)C[NH2+]C1CC[NH+](C)CC1 ZINC000177356216 134297348 /nfs/dbraw/zinc/29/73/48/134297348.db2.gz ACTKOHARFDZVRT-UHFFFAOYSA-N 2 1 242.407 2.002 20 0 BEADMP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000222021039 134329278 /nfs/dbraw/zinc/32/92/78/134329278.db2.gz SIYXPCRGCOCYCW-XBFCOCLRSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000222021039 134329279 /nfs/dbraw/zinc/32/92/79/134329279.db2.gz SIYXPCRGCOCYCW-XBFCOCLRSA-N 2 1 222.376 2.391 20 0 BEADMP CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000222174334 134330052 /nfs/dbraw/zinc/33/00/52/134330052.db2.gz OVMULWGSSVCFKN-NWDGAFQWSA-N 2 1 208.349 2.003 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC=CCC2)CC[N@@H+]1C ZINC000226832002 134369771 /nfs/dbraw/zinc/36/97/71/134369771.db2.gz DVCJSKRGMMLAKQ-JHJVBQTASA-N 2 1 208.349 2.167 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC=CCC2)CC[N@H+]1C ZINC000226832002 134369772 /nfs/dbraw/zinc/36/97/72/134369772.db2.gz DVCJSKRGMMLAKQ-JHJVBQTASA-N 2 1 208.349 2.167 20 0 BEADMP CC(C)C1CCC([N@@H+](C)CCC[NH3+])CC1 ZINC000227745034 134392142 /nfs/dbraw/zinc/39/21/42/134392142.db2.gz MBLLRYUWJOJKIJ-UHFFFAOYSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@H]1C[C@H](C[N@@H+](C)C2CC(C)(C)C2)CC[NH2+]1 ZINC000334623376 134839441 /nfs/dbraw/zinc/83/94/41/134839441.db2.gz UHPKNIHBNHWLAC-NWDGAFQWSA-N 2 1 224.392 2.495 20 0 BEADMP CCOC(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249128305 135034540 /nfs/dbraw/zinc/03/45/40/135034540.db2.gz RMQKLACBZCGNJY-STQMWFEESA-N 2 1 240.391 2.018 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCC2(C)C)C1 ZINC000250346258 135052687 /nfs/dbraw/zinc/05/26/87/135052687.db2.gz QNAAKZYHTIAQJO-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)OCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250577304 135053812 /nfs/dbraw/zinc/05/38/12/135053812.db2.gz FOPUAUSBUNVECE-KBPBESRZSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]1C[N@@H+](CC2CCCCC2)CC[C@H]1[NH3+] ZINC000251706342 135074564 /nfs/dbraw/zinc/07/45/64/135074564.db2.gz JDTXEYQOJHLZCZ-WCQYABFASA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CS1 ZINC000252203613 135086799 /nfs/dbraw/zinc/08/67/99/135086799.db2.gz WTPMYMMZSMBWGU-MROQNXINSA-N 2 1 240.416 2.097 20 0 BEADMP C[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252219233 135087524 /nfs/dbraw/zinc/08/75/24/135087524.db2.gz YOQHIUQNLZTACV-WYTNZGFTSA-N 2 1 222.376 2.390 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CC1(C)C ZINC000252440879 135090027 /nfs/dbraw/zinc/09/00/27/135090027.db2.gz XOLBYBXNFITZAE-KKOKHZNYSA-N 2 1 210.365 2.103 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000252513593 135092458 /nfs/dbraw/zinc/09/24/58/135092458.db2.gz ZMTKJJBHRHCCOM-ZOBORPQBSA-N 2 1 222.376 2.391 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCCOC(C)C)[C@@H](C)C1 ZINC000252644010 135093484 /nfs/dbraw/zinc/09/34/84/135093484.db2.gz HYMMUXZRUMTPQI-KBPBESRZSA-N 2 1 242.407 2.121 20 0 BEADMP Oc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252675202 135095311 /nfs/dbraw/zinc/09/53/11/135095311.db2.gz YBWMVOTYQJDMMG-KBPBESRZSA-N 2 1 246.354 2.109 20 0 BEADMP Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc(C)[nH+]1 ZINC000252674448 135096159 /nfs/dbraw/zinc/09/61/59/135096159.db2.gz RDDKSZZHYDIWEP-OLZOCXBDSA-N 2 1 246.358 2.132 20 0 BEADMP Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)nc(C)[nH+]1 ZINC000252674448 135096160 /nfs/dbraw/zinc/09/61/60/135096160.db2.gz RDDKSZZHYDIWEP-OLZOCXBDSA-N 2 1 246.358 2.132 20 0 BEADMP C[C@@H]1OCC[C@@H]1[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252691062 135097396 /nfs/dbraw/zinc/09/73/96/135097396.db2.gz WUSWMRASACCZSY-RDBSUJKOSA-N 2 1 240.391 2.018 20 0 BEADMP [NH3+]C[C@H]1CCCCN1c1cc[nH+]cc1Cl ZINC000086839763 135097928 /nfs/dbraw/zinc/09/79/28/135097928.db2.gz ZWUKLLZTJCXDBN-SECBINFHSA-N 2 1 225.723 2.053 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000252709566 135099312 /nfs/dbraw/zinc/09/93/12/135099312.db2.gz DFPCMVBKDZEEHR-VOAKCMCISA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000252709566 135099313 /nfs/dbraw/zinc/09/93/13/135099313.db2.gz DFPCMVBKDZEEHR-VOAKCMCISA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000252713173 135100197 /nfs/dbraw/zinc/10/01/97/135100197.db2.gz OMZKDTKQLZIWJD-YIYPIFLZSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000252713173 135100198 /nfs/dbraw/zinc/10/01/98/135100198.db2.gz OMZKDTKQLZIWJD-YIYPIFLZSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccsc1 ZINC000252713463 135100753 /nfs/dbraw/zinc/10/07/53/135100753.db2.gz PFBQWHJAOVUXTE-WCQYABFASA-N 2 1 238.400 2.220 20 0 BEADMP CC1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000252733123 135104717 /nfs/dbraw/zinc/10/47/17/135104717.db2.gz YACIYMGCMGWNQR-KPFVRQRISA-N 2 1 208.349 2.001 20 0 BEADMP CCC(CC)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252843102 135113322 /nfs/dbraw/zinc/11/33/22/135113322.db2.gz CXNWCHNUDGIZSF-MELADBBJSA-N 2 1 224.392 2.482 20 0 BEADMP CCC[N@@H+](CC[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000087266358 135116804 /nfs/dbraw/zinc/11/68/04/135116804.db2.gz WFXNFGIBVOUTFY-CQSZACIVSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000253181247 135122904 /nfs/dbraw/zinc/12/29/04/135122904.db2.gz FEBDUFSVLGLESC-WCQYABFASA-N 2 1 236.334 2.242 20 0 BEADMP C[C@H]1CC[N@@H+](CC2CCCC2)C[C@H]1C[NH3+] ZINC000253207831 135124641 /nfs/dbraw/zinc/12/46/41/135124641.db2.gz HTQOJEGDNHYITG-WCQYABFASA-N 2 1 210.365 2.093 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)s1 ZINC000257645076 135137551 /nfs/dbraw/zinc/13/75/51/135137551.db2.gz BVSSXABOMLFLMZ-ZDUSSCGKSA-N 2 1 236.384 2.242 20 0 BEADMP Fc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000257662041 135138472 /nfs/dbraw/zinc/13/84/72/135138472.db2.gz GMXOQOUKZQTMGS-HNNXBMFYSA-N 2 1 248.345 2.401 20 0 BEADMP Fc1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000257662041 135138473 /nfs/dbraw/zinc/13/84/73/135138473.db2.gz GMXOQOUKZQTMGS-HNNXBMFYSA-N 2 1 248.345 2.401 20 0 BEADMP Fc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000257649100 135138569 /nfs/dbraw/zinc/13/85/69/135138569.db2.gz CTYMFEDBKJHAQA-UHFFFAOYSA-N 2 1 248.345 2.401 20 0 BEADMP C[NH2+]CCC[N@H+](C)CCSc1ccccc1 ZINC000087472709 135142242 /nfs/dbraw/zinc/14/22/42/135142242.db2.gz NGZTWWNXDSPIGL-UHFFFAOYSA-N 2 1 238.400 2.320 20 0 BEADMP C[NH2+]CCC[N@@H+](C)CCSc1ccccc1 ZINC000087472709 135142244 /nfs/dbraw/zinc/14/22/44/135142244.db2.gz NGZTWWNXDSPIGL-UHFFFAOYSA-N 2 1 238.400 2.320 20 0 BEADMP C[NH2+]CCC[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000087472202 135143436 /nfs/dbraw/zinc/14/34/36/135143436.db2.gz CFBHNOFPISDGDM-NSHDSACASA-N 2 1 224.323 2.428 20 0 BEADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000087472202 135143438 /nfs/dbraw/zinc/14/34/38/135143438.db2.gz CFBHNOFPISDGDM-NSHDSACASA-N 2 1 224.323 2.428 20 0 BEADMP CC1CCC(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000261545385 135144994 /nfs/dbraw/zinc/14/49/94/135144994.db2.gz GANOEVFIGHAVSZ-NEXFUWMNSA-N 2 1 236.403 2.497 20 0 BEADMP CC1CCC(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000261545385 135144995 /nfs/dbraw/zinc/14/49/95/135144995.db2.gz GANOEVFIGHAVSZ-NEXFUWMNSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)[C@H](C)[NH3+] ZINC000261531612 135160710 /nfs/dbraw/zinc/16/07/10/135160710.db2.gz HHEGMMGPDAQDCH-AEJSXWLSSA-N 2 1 210.296 2.212 20 0 BEADMP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@H](C)[NH3+] ZINC000261531829 135161715 /nfs/dbraw/zinc/16/17/15/135161715.db2.gz HZLQKGPPCCUSRT-NEPJUHHUSA-N 2 1 206.333 2.335 20 0 BEADMP Cc1ccccc1[C@H](C)[N@H+](C)C[C@@H](C)[NH3+] ZINC000261531829 135161716 /nfs/dbraw/zinc/16/17/16/135161716.db2.gz HZLQKGPPCCUSRT-NEPJUHHUSA-N 2 1 206.333 2.335 20 0 BEADMP Cc1cccc([C@H](C)[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000261533393 135165215 /nfs/dbraw/zinc/16/52/15/135165215.db2.gz HTVYZAUQVDUUAS-OBJOEFQTSA-N 2 1 218.344 2.335 20 0 BEADMP Cc1cccc([C@H](C)[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000261533393 135165216 /nfs/dbraw/zinc/16/52/16/135165216.db2.gz HTVYZAUQVDUUAS-OBJOEFQTSA-N 2 1 218.344 2.335 20 0 BEADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000261533799 135165862 /nfs/dbraw/zinc/16/58/62/135165862.db2.gz LFHCVPGZQVEYMQ-FRRDWIJNSA-N 2 1 210.365 2.154 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CC1CCCCCC1 ZINC000261534855 135168436 /nfs/dbraw/zinc/16/84/36/135168436.db2.gz NFHFCLSXMCWUMF-DGCLKSJQSA-N 2 1 210.365 2.378 20 0 BEADMP Cc1nc(C)c([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])s1 ZINC000261535651 135170337 /nfs/dbraw/zinc/17/03/37/135170337.db2.gz OXGWRAQDYUNPRT-RNJXMRFFSA-N 2 1 227.377 2.146 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+](C)C[C@@H]2CCC[NH2+]C2)C1 ZINC000261536748 135172360 /nfs/dbraw/zinc/17/23/60/135172360.db2.gz STWCNQFYYRDJCH-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000261538216 135175324 /nfs/dbraw/zinc/17/53/24/135175324.db2.gz XMNGFPRWBJKDGJ-LLVKDONJSA-N 2 1 206.333 2.383 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC2(C)CCC2)C1 ZINC000261538372 135175581 /nfs/dbraw/zinc/17/55/81/135175581.db2.gz XWGFWHCZJIHZGQ-NEPJUHHUSA-N 2 1 210.365 2.236 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000261538218 135175788 /nfs/dbraw/zinc/17/57/88/135175788.db2.gz XMNGFPRWBJKDGJ-NSHDSACASA-N 2 1 206.333 2.383 20 0 BEADMP C[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1[NH3+] ZINC000261538909 135176799 /nfs/dbraw/zinc/17/67/99/135176799.db2.gz ZTDWQJFLWKRRLN-DGCLKSJQSA-N 2 1 210.365 2.236 20 0 BEADMP Cc1cc(C)c(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1C ZINC000261539575 135177716 /nfs/dbraw/zinc/17/77/16/135177716.db2.gz AAVRBUQDCBTXEC-DZGCQCFKSA-N 2 1 232.371 2.391 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1C ZINC000261539575 135177717 /nfs/dbraw/zinc/17/77/17/135177717.db2.gz AAVRBUQDCBTXEC-DZGCQCFKSA-N 2 1 232.371 2.391 20 0 BEADMP C[C@@H]1CC[C@H](C)[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000084048144 135178418 /nfs/dbraw/zinc/17/84/18/135178418.db2.gz OURFWNYDKLTFAK-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[N@H+]([C@@H]2CCCc3ccccc32)C[C@H]1[NH3+] ZINC000261540054 135178720 /nfs/dbraw/zinc/17/87/20/135178720.db2.gz DEILVRRDRKFJOK-KCPJHIHWSA-N 2 1 230.355 2.343 20 0 BEADMP Cc1cc(C)c(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c(C)c1 ZINC000261541022 135180920 /nfs/dbraw/zinc/18/09/20/135180920.db2.gz IRCJMUWLVDWJSC-DZGCQCFKSA-N 2 1 232.371 2.391 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)c(C)c1 ZINC000261541022 135180922 /nfs/dbraw/zinc/18/09/22/135180922.db2.gz IRCJMUWLVDWJSC-DZGCQCFKSA-N 2 1 232.371 2.391 20 0 BEADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1(C)CCCC1 ZINC000261543091 135183777 /nfs/dbraw/zinc/18/37/77/135183777.db2.gz HKMQICMORIHXTI-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261548322 135186655 /nfs/dbraw/zinc/18/66/55/135186655.db2.gz NKKWLYVOQIBZHK-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000261550307 135188892 /nfs/dbraw/zinc/18/88/92/135188892.db2.gz LFBBLGRGEMITCM-QPSCCSFWSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000261550307 135188893 /nfs/dbraw/zinc/18/88/93/135188893.db2.gz LFBBLGRGEMITCM-QPSCCSFWSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CC[C@@H]([N@@H+](C)C[C@]2(C)CC[NH2+]C2)C1 ZINC000261552340 135191410 /nfs/dbraw/zinc/19/14/10/135191410.db2.gz RDFBAFBXKNMERM-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000261552266 135191569 /nfs/dbraw/zinc/19/15/69/135191569.db2.gz MUTRJUVAGIAKIB-BARDWOONSA-N 2 1 236.403 2.354 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000261553591 135192780 /nfs/dbraw/zinc/19/27/80/135192780.db2.gz OBNHSEOTJIGQMB-DZGCQCFKSA-N 2 1 232.371 2.461 20 0 BEADMP C(C1CCCCCC1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261553550 135193040 /nfs/dbraw/zinc/19/30/40/135193040.db2.gz NZMDATUUTGIFAF-LSDHHAIUSA-N 2 1 236.403 2.498 20 0 BEADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](N)C2)C1 ZINC000261555765 135195657 /nfs/dbraw/zinc/19/56/57/135195657.db2.gz VGSDJIONGWUPKW-AGIUHOORSA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H]([NH3+])C2)C1 ZINC000261555765 135195658 /nfs/dbraw/zinc/19/56/58/135195658.db2.gz VGSDJIONGWUPKW-AGIUHOORSA-N 2 1 210.365 2.236 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000261556316 135196129 /nfs/dbraw/zinc/19/61/29/135196129.db2.gz BWSNHHYCPGYUKB-JYJNAYRXSA-N 2 1 244.382 2.473 20 0 BEADMP C[C@@H]([NH2+]Cc1cccc2cccnc21)[C@H](C)[NH3+] ZINC000261558091 135198779 /nfs/dbraw/zinc/19/87/79/135198779.db2.gz SGHYVCKLMWNWEF-WDEREUQCSA-N 2 1 229.327 2.060 20 0 BEADMP Cc1nc(C)c(C[NH2+][C@@](C)(C[NH3+])C(C)C)s1 ZINC000261562097 135203510 /nfs/dbraw/zinc/20/35/10/135203510.db2.gz BADOMWBTSYRQAH-LBPRGKRZSA-N 2 1 241.404 2.223 20 0 BEADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])c1 ZINC000261562560 135204718 /nfs/dbraw/zinc/20/47/18/135204718.db2.gz GMVJIAGOCANKOA-AXFHLTTASA-N 2 1 249.358 2.031 20 0 BEADMP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)C1CCCC1 ZINC000261571346 135212884 /nfs/dbraw/zinc/21/28/84/135212884.db2.gz HMQJUTVSHNCZPV-UONOGXRCSA-N 2 1 222.376 2.251 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261570791 135213061 /nfs/dbraw/zinc/21/30/61/135213061.db2.gz KOZRGDLCYTYKLY-TZMCWYRMSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261570791 135213063 /nfs/dbraw/zinc/21/30/63/135213063.db2.gz KOZRGDLCYTYKLY-TZMCWYRMSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000261570707 135213188 /nfs/dbraw/zinc/21/31/88/135213188.db2.gz HCOYWZSBPURHKL-OCCSQVGLSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000261570707 135213190 /nfs/dbraw/zinc/21/31/90/135213190.db2.gz HCOYWZSBPURHKL-OCCSQVGLSA-N 2 1 218.344 2.225 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261570787 135213541 /nfs/dbraw/zinc/21/35/41/135213541.db2.gz KOZRGDLCYTYKLY-JSGCOSHPSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261570787 135213543 /nfs/dbraw/zinc/21/35/43/135213543.db2.gz KOZRGDLCYTYKLY-JSGCOSHPSA-N 2 1 248.345 2.175 20 0 BEADMP CCC[N@H+](CC[NH3+])[C@@H]1CCc2ccccc21 ZINC000261571600 135213621 /nfs/dbraw/zinc/21/36/21/135213621.db2.gz HOSDIAOXBWNHRK-CQSZACIVSA-N 2 1 218.344 2.345 20 0 BEADMP CCC[N@@H+](CC[NH3+])[C@@H]1CCc2ccccc21 ZINC000261571600 135213622 /nfs/dbraw/zinc/21/36/22/135213622.db2.gz HOSDIAOXBWNHRK-CQSZACIVSA-N 2 1 218.344 2.345 20 0 BEADMP CCC[N@H+](CC[NH3+])[C@H]1CCc2ccccc21 ZINC000261571599 135214284 /nfs/dbraw/zinc/21/42/84/135214284.db2.gz HOSDIAOXBWNHRK-AWEZNQCLSA-N 2 1 218.344 2.345 20 0 BEADMP CCC[N@@H+](CC[NH3+])[C@H]1CCc2ccccc21 ZINC000261571599 135214286 /nfs/dbraw/zinc/21/42/86/135214286.db2.gz HOSDIAOXBWNHRK-AWEZNQCLSA-N 2 1 218.344 2.345 20 0 BEADMP CCOc1ccccc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261572622 135215172 /nfs/dbraw/zinc/21/51/72/135215172.db2.gz LVHGZQMHBWDYQX-HNNXBMFYSA-N 2 1 248.370 2.256 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1F ZINC000261575514 135216828 /nfs/dbraw/zinc/21/68/28/135216828.db2.gz NDJLJECDSMWMIU-KCQAQPDRSA-N 2 1 248.345 2.303 20 0 BEADMP CC[C@@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000084384652 135217882 /nfs/dbraw/zinc/21/78/82/135217882.db2.gz NEBSOIGYISMSQM-QWHCGFSZSA-N 2 1 210.365 2.251 20 0 BEADMP CC[C@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000084384655 135218110 /nfs/dbraw/zinc/21/81/10/135218110.db2.gz NEBSOIGYISMSQM-STQMWFEESA-N 2 1 210.365 2.251 20 0 BEADMP C[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000084385914 135218366 /nfs/dbraw/zinc/21/83/66/135218366.db2.gz VOSPQWKXVQJGNG-STQMWFEESA-N 2 1 210.365 2.108 20 0 BEADMP CCc1nc(NC[C@]2(C)CCC[NH2+]C2)cc(C)[nH+]1 ZINC000261577175 135218461 /nfs/dbraw/zinc/21/84/61/135218461.db2.gz OFSULVZGZYAGDI-CQSZACIVSA-N 2 1 248.374 2.149 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261583458 135224000 /nfs/dbraw/zinc/22/40/00/135224000.db2.gz RUAYTSLCBHWOSE-LSDHHAIUSA-N 2 1 244.382 2.345 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261583187 135224466 /nfs/dbraw/zinc/22/44/66/135224466.db2.gz RQZSOLQXXCRMCT-XHSDSOJGSA-N 2 1 244.382 2.473 20 0 BEADMP C[C@H](C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000261585224 135225744 /nfs/dbraw/zinc/22/57/44/135225744.db2.gz SWEFSVPLJLCQKM-SLBVQIDZSA-N 2 1 244.382 2.459 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000261589546 135230134 /nfs/dbraw/zinc/23/01/34/135230134.db2.gz WIULJQVIKAIZNY-HOCLYGCPSA-N 2 1 244.382 2.345 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1F ZINC000261591646 135231650 /nfs/dbraw/zinc/23/16/50/135231650.db2.gz XXJNGCMYTNPIEJ-UONOGXRCSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1F ZINC000261591646 135231652 /nfs/dbraw/zinc/23/16/52/135231652.db2.gz XXJNGCMYTNPIEJ-UONOGXRCSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1F ZINC000261592130 135233046 /nfs/dbraw/zinc/23/30/46/135233046.db2.gz YIEBXURHNIYXSA-KCQAQPDRSA-N 2 1 248.345 2.303 20 0 BEADMP CC[N@@H+](Cc1ccccc1C)C[C@H](C)[NH3+] ZINC000261592838 135233664 /nfs/dbraw/zinc/23/36/64/135233664.db2.gz WEJGOKUSCINUIV-LBPRGKRZSA-N 2 1 206.333 2.164 20 0 BEADMP CC[N@H+](Cc1ccccc1C)C[C@H](C)[NH3+] ZINC000261592838 135233665 /nfs/dbraw/zinc/23/36/65/135233665.db2.gz WEJGOKUSCINUIV-LBPRGKRZSA-N 2 1 206.333 2.164 20 0 BEADMP C[C@@H]1CC[N@@H+](CCC2CCCC2)C[C@H]1C[NH3+] ZINC000261599727 135237760 /nfs/dbraw/zinc/23/77/60/135237760.db2.gz ZZCHRKGNHGFAAW-TZMCWYRMSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@H](C[N@H+]1CC[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000261652306 135242536 /nfs/dbraw/zinc/24/25/36/135242536.db2.gz BCXWNZFTRRUMCB-VXGBXAGGSA-N 2 1 236.334 2.210 20 0 BEADMP C[C@@H]1CCC[C@H](CC[N@H+]2CCC[NH2+]CC2)C1 ZINC000078806683 135243696 /nfs/dbraw/zinc/24/36/96/135243696.db2.gz WYCZOPFJAUQWGY-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]1CC[C@]2(CC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)C1 ZINC000261742110 135248906 /nfs/dbraw/zinc/24/89/06/135248906.db2.gz IPYBQJWJXJRRKF-ILXRZTDVSA-N 2 1 236.403 2.498 20 0 BEADMP CCC[N@@H+](C[C@H]1CCSC1)C1CC[NH2+]CC1 ZINC000261778117 135251579 /nfs/dbraw/zinc/25/15/79/135251579.db2.gz FHEOXBJQOGOTDL-GFCCVEGCSA-N 2 1 242.432 2.204 20 0 BEADMP C([C@H]1CCC[NH2+]C1)[N@@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000261785993 135252197 /nfs/dbraw/zinc/25/21/97/135252197.db2.gz FVXOVBCOZHTXTA-QJUBBFGZSA-N 2 1 248.414 2.497 20 0 BEADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000261785993 135252199 /nfs/dbraw/zinc/25/21/99/135252199.db2.gz FVXOVBCOZHTXTA-QJUBBFGZSA-N 2 1 248.414 2.497 20 0 BEADMP CC(C)([NH3+])C[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000261792183 135253290 /nfs/dbraw/zinc/25/32/90/135253290.db2.gz GFGWLQOMAOOLHK-HNNXBMFYSA-N 2 1 232.371 2.387 20 0 BEADMP CC(C)([NH3+])C[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000261792183 135253291 /nfs/dbraw/zinc/25/32/91/135253291.db2.gz GFGWLQOMAOOLHK-HNNXBMFYSA-N 2 1 232.371 2.387 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)[C@H]2CCCC[C@@H]12 ZINC000261914140 135262199 /nfs/dbraw/zinc/26/21/99/135262199.db2.gz YYQKIYCZXFZKPH-CBBWQLFWSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)[C@@H]2CCCC[C@H]21 ZINC000261914143 135262500 /nfs/dbraw/zinc/26/25/00/135262500.db2.gz YYQKIYCZXFZKPH-LXTVHRRPSA-N 2 1 236.403 2.497 20 0 BEADMP Cn1c2ccccc2[nH+]c1NC1CCC([NH3+])CC1 ZINC000079043849 135267987 /nfs/dbraw/zinc/26/79/87/135267987.db2.gz DUSCMXUACFKWCH-UHFFFAOYSA-N 2 1 244.342 2.255 20 0 BEADMP Cc1ccc2c(c1)C[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000262037020 135275099 /nfs/dbraw/zinc/27/50/99/135275099.db2.gz XUGBOMYIIJCDKI-ZDUSSCGKSA-N 2 1 230.355 2.310 20 0 BEADMP Cc1ccc2c(c1)C[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000262037020 135275101 /nfs/dbraw/zinc/27/51/01/135275101.db2.gz XUGBOMYIIJCDKI-ZDUSSCGKSA-N 2 1 230.355 2.310 20 0 BEADMP C[C@@H]1CCC[C@@H](C)[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262043236 135275733 /nfs/dbraw/zinc/27/57/33/135275733.db2.gz PJMDZKLQCWQFGX-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cc(C)cc(C[N@@H+](C)CC(C)(C)[NH3+])c1 ZINC000262054138 135276784 /nfs/dbraw/zinc/27/67/84/135276784.db2.gz ZXYJFLWPVVVIIN-UHFFFAOYSA-N 2 1 220.360 2.473 20 0 BEADMP Cc1cc(C)cc(C[N@H+](C)CC(C)(C)[NH3+])c1 ZINC000262054138 135276786 /nfs/dbraw/zinc/27/67/86/135276786.db2.gz ZXYJFLWPVVVIIN-UHFFFAOYSA-N 2 1 220.360 2.473 20 0 BEADMP Cc1cc([C@H]2CCC[N@@H+]2C[C@]2(C)CC[NH2+]C2)on1 ZINC000262132032 135280264 /nfs/dbraw/zinc/28/02/64/135280264.db2.gz YHMVXSOPXSZHOR-TZMCWYRMSA-N 2 1 249.358 2.120 20 0 BEADMP Cc1cc([C@H]2CCC[N@H+]2C[C@]2(C)CC[NH2+]C2)on1 ZINC000262132032 135280266 /nfs/dbraw/zinc/28/02/66/135280266.db2.gz YHMVXSOPXSZHOR-TZMCWYRMSA-N 2 1 249.358 2.120 20 0 BEADMP C[C@H](C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1)c1ccccc1 ZINC000299912365 135381738 /nfs/dbraw/zinc/38/17/38/135381738.db2.gz BPEARXPZHJYSQB-BMFZPTHFSA-N 2 1 244.382 2.474 20 0 BEADMP C[C@H](C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1)c1ccccc1 ZINC000299912365 135381739 /nfs/dbraw/zinc/38/17/39/135381739.db2.gz BPEARXPZHJYSQB-BMFZPTHFSA-N 2 1 244.382 2.474 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000078793931 135395596 /nfs/dbraw/zinc/39/55/96/135395596.db2.gz KJKXIHGVGYADEX-CQSZACIVSA-N 2 1 244.382 2.346 20 0 BEADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccncc2)CC1 ZINC000078889952 135395755 /nfs/dbraw/zinc/39/57/55/135395755.db2.gz NSAFCKVPBVAWTD-UHFFFAOYSA-N 2 1 247.386 2.292 20 0 BEADMP Cn1c2ccccc2[nH+]c1N[C@H]1CCC[C@H]1C[NH3+] ZINC000089106028 135529764 /nfs/dbraw/zinc/52/97/64/135529764.db2.gz QMJTUYOOPIGJIO-QWRGUYRKSA-N 2 1 244.342 2.113 20 0 BEADMP COc1ccc(C[N@@H+](C)CC[C@H]2CC[NH2+]C2)cc1 ZINC000089749228 135541684 /nfs/dbraw/zinc/54/16/84/135541684.db2.gz OAMMWTLRRLWVRU-CYBMUJFWSA-N 2 1 248.370 2.127 20 0 BEADMP CC1(C)CC[C@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000334849594 135822804 /nfs/dbraw/zinc/82/28/04/135822804.db2.gz WYGKGYQNPZARBV-QWRGUYRKSA-N 2 1 246.345 2.400 20 0 BEADMP CSC1(C[N@@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC000347807675 136013489 /nfs/dbraw/zinc/01/34/89/136013489.db2.gz GYLYJAHMHJSKOL-UHFFFAOYSA-N 2 1 242.432 2.156 20 0 BEADMP Cc1cccc2c1cc[nH+]c2N1CC[C@@H](C[NH3+])C1 ZINC000335357919 136074706 /nfs/dbraw/zinc/07/47/06/136074706.db2.gz DTCXBYNOXVJTTG-LBPRGKRZSA-N 2 1 241.338 2.328 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]C2CC(C)(F)C2)[C@H](C)C1 ZINC000335373320 136084441 /nfs/dbraw/zinc/08/44/41/136084441.db2.gz HXQCGKVKYSFLMR-CQLXCSJHSA-N 2 1 228.355 2.197 20 0 BEADMP CC1(F)CC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000335373835 136084599 /nfs/dbraw/zinc/08/45/99/136084599.db2.gz OHBCBYZXPSWXOA-IGJPJIBNSA-N 2 1 226.339 2.093 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](F)C2)CC1 ZINC000335398662 136093345 /nfs/dbraw/zinc/09/33/45/136093345.db2.gz KBHCYARCAVLZOM-AAEUAGOBSA-N 2 1 228.355 2.341 20 0 BEADMP F[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000335399957 136093814 /nfs/dbraw/zinc/09/38/14/136093814.db2.gz QGRJJPXHMASNQO-WCQYABFASA-N 2 1 240.366 2.484 20 0 BEADMP Cc1ccncc1CCC[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000348554390 136096667 /nfs/dbraw/zinc/09/66/67/136096667.db2.gz LYFDPINRNJOPAU-GJZGRUSLSA-N 2 1 248.370 2.168 20 0 BEADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CC[NH3+] ZINC000335564609 136106970 /nfs/dbraw/zinc/10/69/70/136106970.db2.gz LMZKWXGZGQVZRS-ZDUSSCGKSA-N 2 1 218.344 2.229 20 0 BEADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335571539 136109735 /nfs/dbraw/zinc/10/97/35/136109735.db2.gz FLVRDMSGMPPFBC-CHWSQXEVSA-N 2 1 210.365 2.060 20 0 BEADMP CC[C@@H](C)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335571539 136109736 /nfs/dbraw/zinc/10/97/36/136109736.db2.gz FLVRDMSGMPPFBC-CHWSQXEVSA-N 2 1 210.365 2.060 20 0 BEADMP CC(C)([NH3+])C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000335599857 136114474 /nfs/dbraw/zinc/11/44/74/136114474.db2.gz SLYJDJULQIKEKO-GFCCVEGCSA-N 2 1 234.343 2.227 20 0 BEADMP C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CCC[NH2+]CC1 ZINC000062076039 1172739036 /nfs/dbraw/zinc/73/90/36/1172739036.db2.gz YPZZZHYSXPHPPX-LBPRGKRZSA-N 2 1 236.334 2.052 20 0 BEADMP C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCC[NH2+]CC1 ZINC000062076039 1172739045 /nfs/dbraw/zinc/73/90/45/1172739045.db2.gz YPZZZHYSXPHPPX-LBPRGKRZSA-N 2 1 236.334 2.052 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CCC[NH2+][C@@H](C)C2)c1 ZINC000085610056 1172758641 /nfs/dbraw/zinc/75/86/41/1172758641.db2.gz VODXWMYWLUTMTM-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP C[C@H]1C[C@H](N)C[N@H+]1CCC(C)(C)C1CC1 ZINC000405983529 397778325 /nfs/dbraw/zinc/77/83/25/397778325.db2.gz BJERUDWDKUNUDD-JQWIXIFHSA-N 2 1 210.365 2.234 20 0 BEADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCC(C)(C)C1CC1 ZINC000405983529 397778334 /nfs/dbraw/zinc/77/83/34/397778334.db2.gz BJERUDWDKUNUDD-JQWIXIFHSA-N 2 1 210.365 2.234 20 0 BEADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccccn2)C1 ZINC000355902349 397924946 /nfs/dbraw/zinc/92/49/46/397924946.db2.gz DAUVNEYJCPVYDS-KBPBESRZSA-N 2 1 247.386 2.416 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccccn2)C1 ZINC000355902349 397924950 /nfs/dbraw/zinc/92/49/50/397924950.db2.gz DAUVNEYJCPVYDS-KBPBESRZSA-N 2 1 247.386 2.416 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000355902349 397924955 /nfs/dbraw/zinc/92/49/55/397924955.db2.gz DAUVNEYJCPVYDS-KBPBESRZSA-N 2 1 247.386 2.416 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC000355902349 397924959 /nfs/dbraw/zinc/92/49/59/397924959.db2.gz DAUVNEYJCPVYDS-KBPBESRZSA-N 2 1 247.386 2.416 20 0 BEADMP C[NH+](C)C1CN(c2cc[nH+]c3ccsc32)C1 ZINC000273179935 397993451 /nfs/dbraw/zinc/99/34/51/397993451.db2.gz ASNDFZQDVDILOS-UHFFFAOYSA-N 2 1 233.340 2.047 20 0 BEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000414657549 398006032 /nfs/dbraw/zinc/00/60/32/398006032.db2.gz HQYGHMLFZCKXMH-VRKREXBASA-N 2 1 244.382 2.459 20 0 BEADMP Cc1ccc(C[C@H]2CCC[N@H+]2CCC[NH3+])cc1 ZINC000414689039 398018632 /nfs/dbraw/zinc/01/86/32/398018632.db2.gz FGWUNUOTIKVYEF-OAHLLOKOSA-N 2 1 232.371 2.351 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000234158921 398023118 /nfs/dbraw/zinc/02/31/18/398023118.db2.gz NMSLLMBMAWXMKV-OAHLLOKOSA-N 2 1 232.371 2.420 20 0 BEADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C(C)C ZINC000336732676 398024939 /nfs/dbraw/zinc/02/49/39/398024939.db2.gz LWAHTIHKOJXWQW-ZDUSSCGKSA-N 2 1 210.365 2.273 20 0 BEADMP Cc1ccncc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277359891 398028132 /nfs/dbraw/zinc/02/81/32/398028132.db2.gz XBJPVMKOXJNROS-OAHLLOKOSA-N 2 1 247.386 2.306 20 0 BEADMP Cc1ccncc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277359891 398028135 /nfs/dbraw/zinc/02/81/35/398028135.db2.gz XBJPVMKOXJNROS-OAHLLOKOSA-N 2 1 247.386 2.306 20 0 BEADMP C(C1CCCC1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414777372 398035496 /nfs/dbraw/zinc/03/54/96/398035496.db2.gz IENQWQOEBYKJOS-LSDHHAIUSA-N 2 1 236.403 2.498 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])s1 ZINC000335007920 398125014 /nfs/dbraw/zinc/12/50/14/398125014.db2.gz BPXFOURJFLNLPS-GHMZBOCLSA-N 2 1 210.346 2.026 20 0 BEADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000222912498 398125772 /nfs/dbraw/zinc/12/57/72/398125772.db2.gz LYUDDZXPUJVDET-MNOVXSKESA-N 2 1 239.338 2.212 20 0 BEADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cncc(F)c1 ZINC000222912633 398125801 /nfs/dbraw/zinc/12/58/01/398125801.db2.gz LYUDDZXPUJVDET-GHMZBOCLSA-N 2 1 239.338 2.212 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000414948232 398122044 /nfs/dbraw/zinc/12/20/44/398122044.db2.gz WVVWQLLBLZFKTA-UBHSHLNASA-N 2 1 218.344 2.260 20 0 BEADMP C[C@H](c1ccccn1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001647978158 1172785642 /nfs/dbraw/zinc/78/56/42/1172785642.db2.gz YNZAYMWZQSUWNM-MCIONIFRSA-N 2 1 245.370 2.026 20 0 BEADMP C[C@H](c1ccccn1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001647978158 1172785649 /nfs/dbraw/zinc/78/56/49/1172785649.db2.gz YNZAYMWZQSUWNM-MCIONIFRSA-N 2 1 245.370 2.026 20 0 BEADMP C[C@H](c1ccccn1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001647978158 1172785654 /nfs/dbraw/zinc/78/56/54/1172785654.db2.gz YNZAYMWZQSUWNM-MCIONIFRSA-N 2 1 245.370 2.026 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662275956 487528860 /nfs/dbraw/zinc/52/88/60/487528860.db2.gz GCYQUTIDUXRMPE-HUXGKSLCSA-N 2 1 222.376 2.009 20 0 BEADMP CSc1ccc(C[NH2+]CC(C)(C)[NH3+])cc1 ZINC000258762898 322877193 /nfs/dbraw/zinc/87/71/93/322877193.db2.gz HEQRJHBKDAZDES-UHFFFAOYSA-N 2 1 224.373 2.235 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000392262188 487535890 /nfs/dbraw/zinc/53/58/90/487535890.db2.gz IVJMFMAPYMNJAY-RDBSUJKOSA-N 2 1 220.360 2.027 20 0 BEADMP CCc1ccc(C(C)(C)C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000259228669 322881584 /nfs/dbraw/zinc/88/15/84/322881584.db2.gz XVVPHHWBMOZWCJ-OAHLLOKOSA-N 2 1 246.398 2.478 20 0 BEADMP CC(C)OCCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000341277154 167206400 /nfs/dbraw/zinc/20/64/00/167206400.db2.gz KFIIORXNPSJKSN-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)OCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336678873 167220407 /nfs/dbraw/zinc/22/04/07/167220407.db2.gz DEJBBXKDQWRFPI-UHFFFAOYSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1ccoc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001651697618 1172976278 /nfs/dbraw/zinc/97/62/78/1172976278.db2.gz DRVKPTFTLAACDL-JHJVBQTASA-N 2 1 234.343 2.018 20 0 BEADMP Cc1ccoc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001651697618 1172976279 /nfs/dbraw/zinc/97/62/79/1172976279.db2.gz DRVKPTFTLAACDL-JHJVBQTASA-N 2 1 234.343 2.018 20 0 BEADMP COCC[C@@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000531780036 487601189 /nfs/dbraw/zinc/60/11/89/487601189.db2.gz ZEBCUCWWHIPQQA-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP COCC[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000531780036 487601193 /nfs/dbraw/zinc/60/11/93/487601193.db2.gz ZEBCUCWWHIPQQA-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP COCC[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000531780036 487601196 /nfs/dbraw/zinc/60/11/96/487601196.db2.gz ZEBCUCWWHIPQQA-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP CC(C)SCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368312760 167326580 /nfs/dbraw/zinc/32/65/80/167326580.db2.gz AMGPWAZNQFIGRV-CYBMUJFWSA-N 2 1 242.432 2.156 20 0 BEADMP CC(C)SCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368312760 167326582 /nfs/dbraw/zinc/32/65/82/167326582.db2.gz AMGPWAZNQFIGRV-CYBMUJFWSA-N 2 1 242.432 2.156 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000662267745 409569706 /nfs/dbraw/zinc/56/97/06/409569706.db2.gz YIDDHVDQEMDAMA-AXFHLTTASA-N 2 1 234.334 2.337 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662244085 409533253 /nfs/dbraw/zinc/53/32/53/409533253.db2.gz GLQCSASNHIOFRR-YHQUGGNUSA-N 2 1 222.376 2.092 20 0 BEADMP CC1(C)CCCC[C@@H]1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000662247741 409549206 /nfs/dbraw/zinc/54/92/06/409549206.db2.gz ZOBYZJRQMOZNMJ-QWHCGFSZSA-N 2 1 224.392 2.483 20 0 BEADMP CC[C@@H]1C[N@@H+](CCC=C(C)C)CC[C@@H]1[NH3+] ZINC000662269673 409572122 /nfs/dbraw/zinc/57/21/22/409572122.db2.gz CVFFTEVARRAWNN-OLZOCXBDSA-N 2 1 210.365 2.402 20 0 BEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662272612 409579114 /nfs/dbraw/zinc/57/91/14/409579114.db2.gz GXRCAYTYSXGQPE-CRWXNKLISA-N 2 1 222.376 2.236 20 0 BEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000662276585 409591090 /nfs/dbraw/zinc/59/10/90/409591090.db2.gz KPLFVTOSAZXDJQ-XQHKEYJVSA-N 2 1 224.392 2.386 20 0 BEADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[NH2+]CC1 ZINC000082666683 409850506 /nfs/dbraw/zinc/85/05/06/409850506.db2.gz JZZJJDDLCCAHSZ-LLVKDONJSA-N 2 1 224.373 2.322 20 0 BEADMP CC1(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663343770 410150368 /nfs/dbraw/zinc/15/03/68/410150368.db2.gz FAUITJXSTHSYOQ-CQSZACIVSA-N 2 1 236.403 2.498 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cccc2c1CCC2 ZINC000650703966 410335041 /nfs/dbraw/zinc/33/50/41/410335041.db2.gz ZSACVJSTRHYLRJ-OAHLLOKOSA-N 2 1 232.371 2.248 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000650703282 410335264 /nfs/dbraw/zinc/33/52/64/410335264.db2.gz SNYHTYYKMFNUCV-OCCSQVGLSA-N 2 1 244.382 2.344 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cccc2c1CCC2 ZINC000650703965 410336582 /nfs/dbraw/zinc/33/65/82/410336582.db2.gz ZSACVJSTRHYLRJ-HNNXBMFYSA-N 2 1 232.371 2.248 20 0 BEADMP C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1c[nH+]ccc1N ZINC000665266548 410739380 /nfs/dbraw/zinc/73/93/80/410739380.db2.gz DZTLERHHLGCTKK-KCJUWKMLSA-N 2 1 241.285 2.190 20 0 BEADMP CC(C)C[NH2+]C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000052381136 167006058 /nfs/dbraw/zinc/00/60/58/167006058.db2.gz JRFUGOVQXMBRCH-STQMWFEESA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)C[NH2+]C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000052381136 167006061 /nfs/dbraw/zinc/00/60/61/167006061.db2.gz JRFUGOVQXMBRCH-STQMWFEESA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367617971 167011707 /nfs/dbraw/zinc/01/17/07/167011707.db2.gz NZQPVXUNUSVPPF-YNEHKIRRSA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367617969 167012407 /nfs/dbraw/zinc/01/24/07/167012407.db2.gz NZQPVXUNUSVPPF-UPJWGTAASA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280550133 167029707 /nfs/dbraw/zinc/02/97/07/167029707.db2.gz UFUZCUFUKAHDSB-IYBDPMFKSA-N 2 1 244.382 2.459 20 0 BEADMP CC(C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280550133 167029714 /nfs/dbraw/zinc/02/97/14/167029714.db2.gz UFUZCUFUKAHDSB-IYBDPMFKSA-N 2 1 244.382 2.459 20 0 BEADMP CC(C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280550133 167029718 /nfs/dbraw/zinc/02/97/18/167029718.db2.gz UFUZCUFUKAHDSB-IYBDPMFKSA-N 2 1 244.382 2.459 20 0 BEADMP CC(C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280550133 167029722 /nfs/dbraw/zinc/02/97/22/167029722.db2.gz UFUZCUFUKAHDSB-IYBDPMFKSA-N 2 1 244.382 2.459 20 0 BEADMP CC(C)[NH2+]C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040668397 167114181 /nfs/dbraw/zinc/11/41/81/167114181.db2.gz SDCFIEBGHKXLIW-QWHCGFSZSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)[C@@H](C[N@@H+]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000339413639 167399018 /nfs/dbraw/zinc/39/90/18/167399018.db2.gz YARUAUCDSBMKMA-HUUCEWRRSA-N 2 1 232.371 2.459 20 0 BEADMP CC(C)[C@@H](C[N@H+]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000339413639 167399020 /nfs/dbraw/zinc/39/90/20/167399020.db2.gz YARUAUCDSBMKMA-HUUCEWRRSA-N 2 1 232.371 2.459 20 0 BEADMP CC(C)C[N@@H+](C)CCCNc1ccccn1 ZINC000651363691 410953694 /nfs/dbraw/zinc/95/36/94/410953694.db2.gz FCUQRFCKHNNUED-UHFFFAOYSA-N 2 1 221.348 2.471 20 0 BEADMP C[C@H](CCCCO)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000398446650 410963672 /nfs/dbraw/zinc/96/36/72/410963672.db2.gz YUUXFDDIKKMHMZ-TZMCWYRMSA-N 2 1 242.407 2.035 20 0 BEADMP CCCCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000309821301 410985263 /nfs/dbraw/zinc/98/52/63/410985263.db2.gz FPBXTOJLKMWFAD-CYBMUJFWSA-N 2 1 210.365 2.252 20 0 BEADMP CC(C)(CC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)C1CC1 ZINC000655940720 411160516 /nfs/dbraw/zinc/16/05/16/411160516.db2.gz GBKDZEPKCPAAMN-TZMCWYRMSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)(CC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)C1CC1 ZINC000655940720 411160518 /nfs/dbraw/zinc/16/05/18/411160518.db2.gz GBKDZEPKCPAAMN-TZMCWYRMSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)(CC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)C1CC1 ZINC000655940716 411160558 /nfs/dbraw/zinc/16/05/58/411160558.db2.gz GBKDZEPKCPAAMN-GXTWGEPZSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)(CC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)C1CC1 ZINC000655940716 411160559 /nfs/dbraw/zinc/16/05/59/411160559.db2.gz GBKDZEPKCPAAMN-GXTWGEPZSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000652221212 411175315 /nfs/dbraw/zinc/17/53/15/411175315.db2.gz SZNJJQUVCVTSHM-LBPRGKRZSA-N 2 1 200.370 2.352 20 0 BEADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000652222568 411175704 /nfs/dbraw/zinc/17/57/04/411175704.db2.gz RRNQMXWDNLUKOY-LBPRGKRZSA-N 2 1 238.379 2.038 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000652222568 411175707 /nfs/dbraw/zinc/17/57/07/411175707.db2.gz RRNQMXWDNLUKOY-LBPRGKRZSA-N 2 1 238.379 2.038 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000652221935 411175742 /nfs/dbraw/zinc/17/57/42/411175742.db2.gz AIQRZAKXYBCGJH-KBPBESRZSA-N 2 1 242.407 2.121 20 0 BEADMP COC[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)C(C)C ZINC000652221996 411175765 /nfs/dbraw/zinc/17/57/65/411175765.db2.gz BTPGNTAPPRKIQH-CQSZACIVSA-N 2 1 244.423 2.225 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000652221936 411176108 /nfs/dbraw/zinc/17/61/08/411176108.db2.gz AIQRZAKXYBCGJH-KGLIPLIRSA-N 2 1 242.407 2.121 20 0 BEADMP C[NH+]1CCC([NH2+]C2(C3CCC3)CC2)CC1 ZINC000652271139 411184576 /nfs/dbraw/zinc/18/45/76/411184576.db2.gz BIXFKSLTGQZNOF-UHFFFAOYSA-N 2 1 208.349 2.003 20 0 BEADMP CC(C)c1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)on1 ZINC000656196005 411200924 /nfs/dbraw/zinc/20/09/24/411200924.db2.gz SAEYWZCSEQWVKD-WDEREUQCSA-N 2 1 237.347 2.158 20 0 BEADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000652343558 411208102 /nfs/dbraw/zinc/20/81/02/411208102.db2.gz WIOQRHMZQYYXJM-IHRRRGAJSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)CC[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000652343516 411208291 /nfs/dbraw/zinc/20/82/91/411208291.db2.gz OSBPNTCCVVXXRW-ZIAGYGMSSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc[nH+]1 ZINC000656226755 411213037 /nfs/dbraw/zinc/21/30/37/411213037.db2.gz OAWJTKRTNXJYQG-GJZGRUSLSA-N 2 1 245.370 2.241 20 0 BEADMP C[C@H]1CCC[N@@H+](Cc2cccc(N)c2)[C@H]1CC[NH3+] ZINC000652356110 411215139 /nfs/dbraw/zinc/21/51/39/411215139.db2.gz SCDOEEXXZNIFLV-WFASDCNBSA-N 2 1 247.386 2.218 20 0 BEADMP C[C@@H]([NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])C1CC1 ZINC000422940454 411234373 /nfs/dbraw/zinc/23/43/73/411234373.db2.gz NICNIYODDGTYPX-YWPYICTPSA-N 2 1 232.371 2.333 20 0 BEADMP C[C@@H]([NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])C1CC1 ZINC000422940455 411234673 /nfs/dbraw/zinc/23/46/73/411234673.db2.gz NICNIYODDGTYPX-ZOWXZIJZSA-N 2 1 232.371 2.333 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)[C@H]1C ZINC000423193331 411237920 /nfs/dbraw/zinc/23/79/20/411237920.db2.gz XDRYRUBJHSLGIU-IPYPFGDCSA-N 2 1 247.386 2.195 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655710050 411262100 /nfs/dbraw/zinc/26/21/00/411262100.db2.gz ADXIIUKGINCUFU-CMPLNLGQSA-N 2 1 239.388 2.065 20 0 BEADMP c1csc(C[N@H+](C[C@@H]2CC[NH2+]C2)C2CC2)c1 ZINC000051890050 411284858 /nfs/dbraw/zinc/28/48/58/411284858.db2.gz ZCGUHTVAPDNOIP-LLVKDONJSA-N 2 1 236.384 2.322 20 0 BEADMP CCCCC[N@@H+](C[C@@H]1CC[NH2+]C1)C(C)C ZINC000051889787 411285892 /nfs/dbraw/zinc/28/58/92/411285892.db2.gz RTIZFLQHVGZQDV-CYBMUJFWSA-N 2 1 212.381 2.497 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CC2(F)F)[C@H](C)C1 ZINC000658220094 411299549 /nfs/dbraw/zinc/29/95/49/411299549.db2.gz OXOSJYMRQCLCQR-WOPDTQHZSA-N 2 1 246.345 2.352 20 0 BEADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000401786308 411330896 /nfs/dbraw/zinc/33/08/96/411330896.db2.gz ZTSXBUSTUVDUNS-LOWDOPEQSA-N 2 1 210.365 2.153 20 0 BEADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000658236336 411306009 /nfs/dbraw/zinc/30/60/09/411306009.db2.gz INWQLCYMKMXVCQ-STQMWFEESA-N 2 1 210.365 2.249 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2CCc3ccc(O)cc32)CC1 ZINC000658239656 411308109 /nfs/dbraw/zinc/30/81/09/411308109.db2.gz ONAICYCSVXVZLS-HNNXBMFYSA-N 2 1 246.354 2.063 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000217702261 411308544 /nfs/dbraw/zinc/30/85/44/411308544.db2.gz POOFGPGRLYLIBF-CYBMUJFWSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000217702261 411308546 /nfs/dbraw/zinc/30/85/46/411308546.db2.gz POOFGPGRLYLIBF-CYBMUJFWSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C(C)(C)C2(F)F)CC[N@H+]1C ZINC000658279763 411319444 /nfs/dbraw/zinc/31/94/44/411319444.db2.gz CPDBQPQESAMTIX-MXWKQRLJSA-N 2 1 246.345 2.350 20 0 BEADMP Cc1ccncc1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000658127170 411254142 /nfs/dbraw/zinc/25/41/42/411254142.db2.gz SEFHSWLNTFSASC-ZFWWWQNUSA-N 2 1 247.386 2.005 20 0 BEADMP CCCCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000309821303 411259788 /nfs/dbraw/zinc/25/97/88/411259788.db2.gz FPBXTOJLKMWFAD-ZDUSSCGKSA-N 2 1 210.365 2.252 20 0 BEADMP Cc1cccc(C)c1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000656784131 411361506 /nfs/dbraw/zinc/36/15/06/411361506.db2.gz YWEUVPWHSJEHJV-UHFFFAOYSA-N 2 1 220.360 2.473 20 0 BEADMP Cc1cccc(C)c1C[N@H+](C)CC(C)(C)[NH3+] ZINC000656784131 411361508 /nfs/dbraw/zinc/36/15/08/411361508.db2.gz YWEUVPWHSJEHJV-UHFFFAOYSA-N 2 1 220.360 2.473 20 0 BEADMP [NH3+]CCC[N@H+]1CCCC2(CCCC2)CC1 ZINC000656787373 411366012 /nfs/dbraw/zinc/36/60/12/411366012.db2.gz JPKQBCQMCNHHQO-UHFFFAOYSA-N 2 1 210.365 2.382 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000656788040 411367212 /nfs/dbraw/zinc/36/72/12/411367212.db2.gz LVOQYWONSFTLSS-BZPMIXESSA-N 2 1 218.344 2.130 20 0 BEADMP C[C@@H]1[C@@H]([NH2+][C@H]2CC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000656788064 411367357 /nfs/dbraw/zinc/36/73/57/411367357.db2.gz OOQVVOTXNPRZOG-MXAVVETBSA-N 2 1 230.355 2.130 20 0 BEADMP COc1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000656788450 411367425 /nfs/dbraw/zinc/36/74/25/411367425.db2.gz PRYMKSIIGYHLCK-UHFFFAOYSA-N 2 1 234.343 2.056 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)[C@H](C)c1ccccc1 ZINC000656788041 411368074 /nfs/dbraw/zinc/36/80/74/411368074.db2.gz LVOQYWONSFTLSS-SCRDCRAPSA-N 2 1 218.344 2.130 20 0 BEADMP CC(C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656789382 411369093 /nfs/dbraw/zinc/36/90/93/411369093.db2.gz XJDWGWVBTMLYBP-HUUCEWRRSA-N 2 1 232.371 2.378 20 0 BEADMP c1coc(CCC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000658324861 411334944 /nfs/dbraw/zinc/33/49/44/411334944.db2.gz DRESYLOTYUWJCW-UHFFFAOYSA-N 2 1 248.370 2.429 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403350052 411340409 /nfs/dbraw/zinc/34/04/09/411340409.db2.gz IFNWFKIRYLWROB-YRGRVCCFSA-N 2 1 222.376 2.249 20 0 BEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]2C[C@H]2C1 ZINC000661975811 411342503 /nfs/dbraw/zinc/34/25/03/411342503.db2.gz STSGPHTUINADRB-MELADBBJSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661975811 411342506 /nfs/dbraw/zinc/34/25/06/411342506.db2.gz STSGPHTUINADRB-MELADBBJSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000661975811 411342509 /nfs/dbraw/zinc/34/25/09/411342509.db2.gz STSGPHTUINADRB-MELADBBJSA-N 2 1 222.376 2.203 20 0 BEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000653763641 411344393 /nfs/dbraw/zinc/34/43/93/411344393.db2.gz RIGFGFNCOSELOC-AWEZNQCLSA-N 2 1 247.386 2.475 20 0 BEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](C2CCC2)C1 ZINC000653763641 411344396 /nfs/dbraw/zinc/34/43/96/411344396.db2.gz RIGFGFNCOSELOC-AWEZNQCLSA-N 2 1 247.386 2.475 20 0 BEADMP CC1CCC([NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000335604042 168162425 /nfs/dbraw/zinc/16/24/25/168162425.db2.gz HABRMRGGLQVHCS-UHFFFAOYSA-N 2 1 222.376 2.417 20 0 BEADMP C[C@H]1CCC[N@@H+](Cc2ccncc2)[C@H]1CC[NH3+] ZINC000404275699 411387865 /nfs/dbraw/zinc/38/78/65/411387865.db2.gz APSIPQYDZYADKL-JSGCOSHPSA-N 2 1 233.359 2.031 20 0 BEADMP C[C@H]1CCC[N@@H+](Cc2ccncc2)[C@@H]1CC[NH3+] ZINC000404275698 411387516 /nfs/dbraw/zinc/38/75/16/411387516.db2.gz APSIPQYDZYADKL-GXTWGEPZSA-N 2 1 233.359 2.031 20 0 BEADMP C[C@@H]1CCC[N@@H+](CCc2cccnc2)[C@@H]1CC[NH3+] ZINC000404278378 411387715 /nfs/dbraw/zinc/38/77/15/411387715.db2.gz CFKZIHIIIGFBKE-UKRRQHHQSA-N 2 1 247.386 2.073 20 0 BEADMP CCc1cc(OC)ccc1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414887845 411459805 /nfs/dbraw/zinc/45/98/05/411459805.db2.gz JCYFQXJCJKQBPV-HNNXBMFYSA-N 2 1 248.370 2.085 20 0 BEADMP Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])nc1 ZINC000404407972 411394158 /nfs/dbraw/zinc/39/41/58/411394158.db2.gz AZRWPCPQFPQRID-DZGCQCFKSA-N 2 1 247.386 2.339 20 0 BEADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)CC[C@@H]1[NH3+] ZINC000130728707 411409534 /nfs/dbraw/zinc/40/95/34/411409534.db2.gz MLFBPYQMOPIRBW-HIFRSBDPSA-N 2 1 248.370 2.254 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCc2ccccc21 ZINC000404880771 411410778 /nfs/dbraw/zinc/41/07/78/411410778.db2.gz FVQYXAYFJZRMOH-ZIAGYGMSSA-N 2 1 244.382 2.258 20 0 BEADMP CC(C)[NH+](CCCc1c[nH+]cn1C)C(C)C ZINC000653596712 411429681 /nfs/dbraw/zinc/42/96/81/411429681.db2.gz GZPUILFEMNWLRR-UHFFFAOYSA-N 2 1 223.364 2.472 20 0 BEADMP CC1(C)CCCC[C@@H]1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659850914 411477000 /nfs/dbraw/zinc/47/70/00/411477000.db2.gz WSHZNBZKMMGSCH-HZSPNIEDSA-N 2 1 236.403 2.354 20 0 BEADMP CC(C)Oc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000415011677 411488185 /nfs/dbraw/zinc/48/81/85/411488185.db2.gz RFTWNRKVEVYCFG-VXGBXAGGSA-N 2 1 236.359 2.299 20 0 BEADMP CC(C)CCC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000309477742 411497209 /nfs/dbraw/zinc/49/72/09/411497209.db2.gz CKCRJCGGIRGTCG-OLZOCXBDSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000309477742 411497211 /nfs/dbraw/zinc/49/72/11/411497211.db2.gz CKCRJCGGIRGTCG-OLZOCXBDSA-N 2 1 210.365 2.106 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC2CCC2)C1 ZINC000659926163 411501119 /nfs/dbraw/zinc/50/11/19/411501119.db2.gz MFANXSIZSWMNBU-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000659983115 411518600 /nfs/dbraw/zinc/51/86/00/411518600.db2.gz DVRQGBMMMKCIDQ-BTTYYORXSA-N 2 1 236.403 2.449 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000659983115 411518602 /nfs/dbraw/zinc/51/86/02/411518602.db2.gz DVRQGBMMMKCIDQ-BTTYYORXSA-N 2 1 236.403 2.449 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC2CCC2)C1 ZINC000659990138 411521065 /nfs/dbraw/zinc/52/10/65/411521065.db2.gz YFKHBIJRHXRCPN-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC2CCC2)C1 ZINC000659990138 411521068 /nfs/dbraw/zinc/52/10/68/411521068.db2.gz YFKHBIJRHXRCPN-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC2CCC2)C1 ZINC000659990138 411521072 /nfs/dbraw/zinc/52/10/72/411521072.db2.gz YFKHBIJRHXRCPN-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC2CCC2)C1 ZINC000659990136 411521457 /nfs/dbraw/zinc/52/14/57/411521457.db2.gz YFKHBIJRHXRCPN-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC2CCC2)C1 ZINC000659990136 411521458 /nfs/dbraw/zinc/52/14/58/411521458.db2.gz YFKHBIJRHXRCPN-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC2CCC2)C1 ZINC000659990136 411521460 /nfs/dbraw/zinc/52/14/60/411521460.db2.gz YFKHBIJRHXRCPN-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccccc1C1CC1 ZINC000131417668 411527726 /nfs/dbraw/zinc/52/77/26/411527726.db2.gz RTKLFDDVHWPKPT-CQSZACIVSA-N 2 1 230.355 2.487 20 0 BEADMP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccccc1C1CC1 ZINC000131417668 411527728 /nfs/dbraw/zinc/52/77/28/411527728.db2.gz RTKLFDDVHWPKPT-CQSZACIVSA-N 2 1 230.355 2.487 20 0 BEADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccco2)C1 ZINC000037484241 170007231 /nfs/dbraw/zinc/00/72/31/170007231.db2.gz ASVIUPXATPTTLE-RYUDHWBXSA-N 2 1 222.332 2.272 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccco2)C1 ZINC000037484241 170007233 /nfs/dbraw/zinc/00/72/33/170007233.db2.gz ASVIUPXATPTTLE-RYUDHWBXSA-N 2 1 222.332 2.272 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC2(C)C)C1 ZINC000308785939 170009439 /nfs/dbraw/zinc/00/94/39/170009439.db2.gz FNOTUNHGBBKSLK-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2(C)CC2)[C@@H](C)C1 ZINC000309465821 170011344 /nfs/dbraw/zinc/01/13/44/170011344.db2.gz PGMQVWHAKVLQAX-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@H+]1CC[C@@H](NCc2cnccc2C)[C@H](C)C1 ZINC000354498485 170012968 /nfs/dbraw/zinc/01/29/68/170012968.db2.gz JPEQTURNMXVFNZ-UKRRQHHQSA-N 2 1 247.386 2.210 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cnccc2C)[C@H](C)C1 ZINC000354498485 170012971 /nfs/dbraw/zinc/01/29/71/170012971.db2.gz JPEQTURNMXVFNZ-UKRRQHHQSA-N 2 1 247.386 2.210 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccco2)[C@@H](C)C1 ZINC000359425944 170013080 /nfs/dbraw/zinc/01/30/80/170013080.db2.gz OISFXISJZCXXBA-GXTWGEPZSA-N 2 1 236.359 2.142 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000037644095 170016206 /nfs/dbraw/zinc/01/62/06/170016206.db2.gz DBVQTCPPJBSYMT-QWHCGFSZSA-N 2 1 248.370 2.385 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000037484258 170017212 /nfs/dbraw/zinc/01/72/12/170017212.db2.gz OFKHHAZDBGZKKG-CQSZACIVSA-N 2 1 218.344 2.118 20 0 BEADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C)ccn2)C1 ZINC000285592670 170017475 /nfs/dbraw/zinc/01/74/75/170017475.db2.gz JHASWGZVNOYRCJ-ZIAGYGMSSA-N 2 1 247.386 2.382 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C)ccn2)C1 ZINC000285592670 170017476 /nfs/dbraw/zinc/01/74/76/170017476.db2.gz JHASWGZVNOYRCJ-ZIAGYGMSSA-N 2 1 247.386 2.382 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CC2)C[C@H]1C ZINC000336648180 170019519 /nfs/dbraw/zinc/01/95/19/170019519.db2.gz NRSAZOIPPIDPJF-YPMHNXCESA-N 2 1 210.365 2.201 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CC2)C[C@H]1C ZINC000336648180 170019520 /nfs/dbraw/zinc/01/95/20/170019520.db2.gz NRSAZOIPPIDPJF-YPMHNXCESA-N 2 1 210.365 2.201 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CC2)C[C@H]1C ZINC000336648180 170019521 /nfs/dbraw/zinc/01/95/21/170019521.db2.gz NRSAZOIPPIDPJF-YPMHNXCESA-N 2 1 210.365 2.201 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)C2)[C@H](C)C1 ZINC000309620839 170021768 /nfs/dbraw/zinc/02/17/68/170021768.db2.gz FFNHLSVBHCUBBS-SYQHCUMBSA-N 2 1 224.392 2.495 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC2(C)C)[C@@H](C)C1 ZINC000309043410 170022015 /nfs/dbraw/zinc/02/20/15/170022015.db2.gz MUAGHNVKEZFJBD-SDDRHHMPSA-N 2 1 210.365 2.105 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)[C@@H](C)C1 ZINC000336778103 170022477 /nfs/dbraw/zinc/02/24/77/170022477.db2.gz KIXGLWUAOLWXGN-LOWDOPEQSA-N 2 1 228.355 2.197 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C)[C@H](C)C1 ZINC000336746411 170022552 /nfs/dbraw/zinc/02/25/52/170022552.db2.gz BKLBCAXYAGYYME-LOWDOPEQSA-N 2 1 210.365 2.105 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CSC2(C)C)[C@@H](C)C1 ZINC000336779646 170023045 /nfs/dbraw/zinc/02/30/45/170023045.db2.gz PABRWJZNXNEKRN-SDDRHHMPSA-N 2 1 242.432 2.200 20 0 BEADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CCCCO1 ZINC000655848705 411536838 /nfs/dbraw/zinc/53/68/38/411536838.db2.gz JWULZFIMMKSXLR-KGLIPLIRSA-N 2 1 240.391 2.018 20 0 BEADMP CC[N@H+]1CCC[C@@H]1CNc1[nH+]ccc2[nH]ccc21 ZINC000663319910 411623917 /nfs/dbraw/zinc/62/39/17/411623917.db2.gz WFFYGQFOVYGEFS-LLVKDONJSA-N 2 1 244.342 2.459 20 0 BEADMP C[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1(F)F ZINC000657663446 411576307 /nfs/dbraw/zinc/57/63/07/411576307.db2.gz BOOHCBWMERGZBC-GRYCIOLGSA-N 2 1 244.329 2.248 20 0 BEADMP C1C[C@@H]2[C@H](C1)[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657734108 411587738 /nfs/dbraw/zinc/58/77/38/411587738.db2.gz FNPDESKYLFJAOM-VJTDZRGJSA-N 2 1 220.360 2.001 20 0 BEADMP CC(C)=CCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660615305 411608212 /nfs/dbraw/zinc/60/82/12/411608212.db2.gz FQQIRWQGMWNGRP-CQSZACIVSA-N 2 1 222.376 2.370 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000660615305 411608213 /nfs/dbraw/zinc/60/82/13/411608213.db2.gz FQQIRWQGMWNGRP-CQSZACIVSA-N 2 1 222.376 2.370 20 0 BEADMP CC(C)=CCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000660615305 411608215 /nfs/dbraw/zinc/60/82/15/411608215.db2.gz FQQIRWQGMWNGRP-CQSZACIVSA-N 2 1 222.376 2.370 20 0 BEADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)C1 ZINC000660616154 411608291 /nfs/dbraw/zinc/60/82/91/411608291.db2.gz HMUGPRNTJQJCBI-WCVJEAGWSA-N 2 1 248.414 2.450 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)C1 ZINC000660616154 411608293 /nfs/dbraw/zinc/60/82/93/411608293.db2.gz HMUGPRNTJQJCBI-WCVJEAGWSA-N 2 1 248.414 2.450 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)C1 ZINC000660616154 411608294 /nfs/dbraw/zinc/60/82/94/411608294.db2.gz HMUGPRNTJQJCBI-WCVJEAGWSA-N 2 1 248.414 2.450 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+]C1CC(CF)(CF)C1 ZINC000657831320 411608852 /nfs/dbraw/zinc/60/88/52/411608852.db2.gz VOGJOWKEGDTSMU-UHFFFAOYSA-N 2 1 248.361 2.394 20 0 BEADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCCSCC1)C1CC1 ZINC000657843360 411610771 /nfs/dbraw/zinc/61/07/71/411610771.db2.gz DYZUORQYRVVDCT-QWHCGFSZSA-N 2 1 242.432 2.202 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657865444 411614115 /nfs/dbraw/zinc/61/41/15/411614115.db2.gz YETXGKVMTDCDNQ-VIFPVBQESA-N 2 1 245.317 2.461 20 0 BEADMP CCCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656767 411614564 /nfs/dbraw/zinc/61/45/64/411614564.db2.gz XPWBGUYTNYFMLJ-CYBMUJFWSA-N 2 1 210.365 2.204 20 0 BEADMP CCCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660656767 411614565 /nfs/dbraw/zinc/61/45/65/411614565.db2.gz XPWBGUYTNYFMLJ-CYBMUJFWSA-N 2 1 210.365 2.204 20 0 BEADMP CCCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660656767 411614566 /nfs/dbraw/zinc/61/45/66/411614566.db2.gz XPWBGUYTNYFMLJ-CYBMUJFWSA-N 2 1 210.365 2.204 20 0 BEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC1CC1)C2 ZINC000660657796 411615070 /nfs/dbraw/zinc/61/50/70/411615070.db2.gz AJAUEZKLBFLDMT-AWEZNQCLSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC1CC1)C2 ZINC000660657796 411615071 /nfs/dbraw/zinc/61/50/71/411615071.db2.gz AJAUEZKLBFLDMT-AWEZNQCLSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC000660657796 411615073 /nfs/dbraw/zinc/61/50/73/411615073.db2.gz AJAUEZKLBFLDMT-AWEZNQCLSA-N 2 1 222.376 2.204 20 0 BEADMP CC[C@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662369 411615671 /nfs/dbraw/zinc/61/56/71/411615671.db2.gz IXACTWLAMYJZHK-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660662369 411615672 /nfs/dbraw/zinc/61/56/72/411615672.db2.gz IXACTWLAMYJZHK-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP CC[C@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660662369 411615674 /nfs/dbraw/zinc/61/56/74/411615674.db2.gz IXACTWLAMYJZHK-STQMWFEESA-N 2 1 210.365 2.203 20 0 BEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CC1CC=CC1 ZINC000660762822 411621660 /nfs/dbraw/zinc/62/16/60/411621660.db2.gz PYHSGNLPUXLTHL-UHFFFAOYSA-N 2 1 222.376 2.417 20 0 BEADMP CC[C@@H](C)[N@H+](CC)CCn1cc[nH+]c1C ZINC000661105747 411710540 /nfs/dbraw/zinc/71/05/40/411710540.db2.gz ZAVXQLXTKFGASK-LLVKDONJSA-N 2 1 209.337 2.312 20 0 BEADMP CC[C@@H](C)[N@@H+](CC)CCn1cc[nH+]c1C ZINC000661105747 411710543 /nfs/dbraw/zinc/71/05/43/411710543.db2.gz ZAVXQLXTKFGASK-LLVKDONJSA-N 2 1 209.337 2.312 20 0 BEADMP CC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663470557 411667978 /nfs/dbraw/zinc/66/79/78/411667978.db2.gz VBRVOMHKTWJRJU-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H](Cc1ccsc1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497762 411679308 /nfs/dbraw/zinc/67/93/08/411679308.db2.gz JTKKOTRIJBGTHC-PKSQDBQZSA-N 2 1 236.384 2.021 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000663514422 411695206 /nfs/dbraw/zinc/69/52/06/411695206.db2.gz RDVJRGKGZYDHCF-NZBPQXDJSA-N 2 1 232.371 2.376 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000663514419 411695338 /nfs/dbraw/zinc/69/53/38/411695338.db2.gz RDVJRGKGZYDHCF-CTHBEMJXSA-N 2 1 232.371 2.376 20 0 BEADMP CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C[NH2+]C ZINC000663513141 411695369 /nfs/dbraw/zinc/69/53/69/411695369.db2.gz ISLRJOBPCBXPTR-TZMCWYRMSA-N 2 1 220.360 2.205 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CCc1ccccc1F ZINC000663514925 411697203 /nfs/dbraw/zinc/69/72/03/411697203.db2.gz WDTHGPBXHOZQIX-RYUDHWBXSA-N 2 1 238.350 2.344 20 0 BEADMP CCC(C)(C)[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000661231553 411738182 /nfs/dbraw/zinc/73/81/82/411738182.db2.gz NXAZCLHHNYMOSO-QWHCGFSZSA-N 2 1 244.423 2.102 20 0 BEADMP CCc1nc(NCC[C@H](C)[NH+](C)C)cc(C)[nH+]1 ZINC000664246862 411897590 /nfs/dbraw/zinc/89/75/90/411897590.db2.gz ZDBWFJWQBZIUNM-NSHDSACASA-N 2 1 236.363 2.100 20 0 BEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661852642 411900055 /nfs/dbraw/zinc/90/00/55/411900055.db2.gz BASFLNVAGZRGIM-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661852642 411900056 /nfs/dbraw/zinc/90/00/56/411900056.db2.gz BASFLNVAGZRGIM-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000662229388 412033028 /nfs/dbraw/zinc/03/30/28/412033028.db2.gz IWDCZFKENGYSOK-HNNXBMFYSA-N 2 1 236.403 2.498 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000662235261 412034436 /nfs/dbraw/zinc/03/44/36/412034436.db2.gz OXQHWCMUAHKRRT-ZJUUUORDSA-N 2 1 220.307 2.091 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000662235261 412034442 /nfs/dbraw/zinc/03/44/42/412034442.db2.gz OXQHWCMUAHKRRT-ZJUUUORDSA-N 2 1 220.307 2.091 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000662245505 412041962 /nfs/dbraw/zinc/04/19/62/412041962.db2.gz RTNWMUKWTVGKCO-GMTAPVOTSA-N 2 1 234.334 2.337 20 0 BEADMP C[C@@](C[NH3+])([NH2+]CCCC1CCC1)C1CC1 ZINC000662247883 412044111 /nfs/dbraw/zinc/04/41/11/412044111.db2.gz NPOJPUGOHAWEQW-ZDUSSCGKSA-N 2 1 210.365 2.284 20 0 BEADMP CC[C@H](C[NH2+][C@](C)(C[NH3+])C1CC1)CC(F)F ZINC000662247382 412044304 /nfs/dbraw/zinc/04/43/04/412044304.db2.gz GCZDTGSTWVJVHR-JOYOIKCWSA-N 2 1 234.334 2.385 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000662263450 412056360 /nfs/dbraw/zinc/05/63/60/412056360.db2.gz BHSBLUQHHPYEKX-MXWKQRLJSA-N 2 1 234.334 2.337 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000310018933 171043921 /nfs/dbraw/zinc/04/39/21/171043921.db2.gz MGCCUOQCNXHRPB-SCRDCRAPSA-N 2 1 222.376 2.249 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336721489 171044654 /nfs/dbraw/zinc/04/46/54/171044654.db2.gz DRDUXMAHICCGMP-LOWDOPEQSA-N 2 1 210.365 2.247 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336721489 171044656 /nfs/dbraw/zinc/04/46/56/171044656.db2.gz DRDUXMAHICCGMP-LOWDOPEQSA-N 2 1 210.365 2.247 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000309612748 171045402 /nfs/dbraw/zinc/04/54/02/171045402.db2.gz AQWVQYUFZYSFPU-RFGFWPKPSA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+]CCC[N@@H+](C)C(C)C ZINC000336771825 171058462 /nfs/dbraw/zinc/05/84/62/171058462.db2.gz WZUVBHZLWLONQL-CHWSQXEVSA-N 2 1 212.381 2.495 20 0 BEADMP CCC(CC)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000662278053 412071706 /nfs/dbraw/zinc/07/17/06/412071706.db2.gz UTMUJWPHBISWJM-NQBHXWOUSA-N 2 1 212.381 2.399 20 0 BEADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000662275043 412067353 /nfs/dbraw/zinc/06/73/53/412067353.db2.gz QGIIEEAXLLLLRO-GVRJEKJASA-N 2 1 248.414 2.354 20 0 BEADMP CC(C)=CCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662278475 412070707 /nfs/dbraw/zinc/07/07/07/412070707.db2.gz YBEMZFUVVHBASO-AWEZNQCLSA-N 2 1 222.376 2.418 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000662284861 412077089 /nfs/dbraw/zinc/07/70/89/412077089.db2.gz QDBKRAXRLMYGHP-OAHLLOKOSA-N 2 1 232.371 2.476 20 0 BEADMP c1ccc([C@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000662282507 412073424 /nfs/dbraw/zinc/07/34/24/412073424.db2.gz AZFZFKFYHOWDPE-HOCLYGCPSA-N 2 1 244.382 2.476 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@@H]1C[NH3+] ZINC000662283834 412074334 /nfs/dbraw/zinc/07/43/34/412074334.db2.gz QICMVCVIGSAZPJ-DXUDUQDWSA-N 2 1 236.403 2.338 20 0 BEADMP CC[C@H](C)C[N@@H+]1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000310266579 171282556 /nfs/dbraw/zinc/28/25/56/171282556.db2.gz FNVWSFIDWPQVGF-CFVMTHIKSA-N 2 1 232.371 2.459 20 0 BEADMP CC[C@H](C)C[N@H+]1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000310266579 171282557 /nfs/dbraw/zinc/28/25/57/171282557.db2.gz FNVWSFIDWPQVGF-CFVMTHIKSA-N 2 1 232.371 2.459 20 0 BEADMP CC[C@H](C)C[NH2+]CC[N@H+](CC)C(C)C ZINC000308600599 171285228 /nfs/dbraw/zinc/28/52/28/171285228.db2.gz OFKAMSSXTCCCBC-LBPRGKRZSA-N 2 1 200.370 2.352 20 0 BEADMP CC[C@H](C)C[NH2+]CC[N@@H+](CC)C(C)C ZINC000308600599 171285229 /nfs/dbraw/zinc/28/52/29/171285229.db2.gz OFKAMSSXTCCCBC-LBPRGKRZSA-N 2 1 200.370 2.352 20 0 BEADMP Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1CC[NH3+] ZINC000662296070 412083898 /nfs/dbraw/zinc/08/38/98/412083898.db2.gz PXFROGDTKDXNKR-ZDUSSCGKSA-N 2 1 218.344 2.399 20 0 BEADMP Cc1cccc(C)c1[C@@H]1CCC[N@H+]1CC[NH3+] ZINC000662296070 412083900 /nfs/dbraw/zinc/08/39/00/412083900.db2.gz PXFROGDTKDXNKR-ZDUSSCGKSA-N 2 1 218.344 2.399 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000356874469 171306460 /nfs/dbraw/zinc/30/64/60/171306460.db2.gz QHGNSYVKSLVJDV-IHRRRGAJSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000356874469 171306463 /nfs/dbraw/zinc/30/64/63/171306463.db2.gz QHGNSYVKSLVJDV-IHRRRGAJSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000336659922 171307642 /nfs/dbraw/zinc/30/76/42/171307642.db2.gz BQZICSIZAQBHIJ-WUHRBBMRSA-N 2 1 212.381 2.351 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000336659922 171307644 /nfs/dbraw/zinc/30/76/44/171307644.db2.gz BQZICSIZAQBHIJ-WUHRBBMRSA-N 2 1 212.381 2.351 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC1(C)C ZINC000308873330 171308871 /nfs/dbraw/zinc/30/88/71/171308871.db2.gz ZURZPKZXFJLBGB-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC1(C)C ZINC000308873330 171308870 /nfs/dbraw/zinc/30/88/70/171308870.db2.gz ZURZPKZXFJLBGB-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000337256632 171320795 /nfs/dbraw/zinc/32/07/95/171320795.db2.gz SMVXTMXOIQISSJ-GXTWGEPZSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000337256632 171320797 /nfs/dbraw/zinc/32/07/97/171320797.db2.gz SMVXTMXOIQISSJ-GXTWGEPZSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000337256632 171320798 /nfs/dbraw/zinc/32/07/98/171320798.db2.gz SMVXTMXOIQISSJ-GXTWGEPZSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@H](C)[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000038098014 171388669 /nfs/dbraw/zinc/38/86/69/171388669.db2.gz JCJGIRBUXZFRFE-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H](C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)OC ZINC000362974925 171393110 /nfs/dbraw/zinc/39/31/10/171393110.db2.gz CCHNPYVECONCFP-FQUUOJAGSA-N 2 1 242.407 2.120 20 0 BEADMP CCc1ccc(CC[N@@H+]2CC3CC2(C[NH3+])C3)cc1 ZINC000662304668 412088794 /nfs/dbraw/zinc/08/87/94/412088794.db2.gz UFYJVWDPKXBWFJ-UHFFFAOYSA-N 2 1 244.382 2.215 20 0 BEADMP CC[N@@H+](CCC[NH2+]C)Cc1ccc(C)cc1 ZINC000662304052 412089024 /nfs/dbraw/zinc/08/90/24/412089024.db2.gz DNRGUYKKBMMVRX-UHFFFAOYSA-N 2 1 220.360 2.426 20 0 BEADMP CC[N@@H+](Cc1ccc(C)cc1)C[C@@H](C)[NH3+] ZINC000662304096 412089870 /nfs/dbraw/zinc/08/98/70/412089870.db2.gz FJVIMSHKSDFPQV-GFCCVEGCSA-N 2 1 206.333 2.164 20 0 BEADMP CC[N@H+](Cc1ccc(C)cc1)C[C@@H](C)[NH3+] ZINC000662304096 412089871 /nfs/dbraw/zinc/08/98/71/412089871.db2.gz FJVIMSHKSDFPQV-GFCCVEGCSA-N 2 1 206.333 2.164 20 0 BEADMP C[NH2+]CCC[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000662305977 412090438 /nfs/dbraw/zinc/09/04/38/412090438.db2.gz MKWWHFHNTMQODN-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@H]1CCCC[C@H]1C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662306307 412090605 /nfs/dbraw/zinc/09/06/05/412090605.db2.gz QEZUUWLVEZLVRM-AHPWVWPOSA-N 2 1 222.376 2.236 20 0 BEADMP CC(C)(CC[N@H+]1CC2CC1(C[NH3+])C2)C1CC1 ZINC000662305234 412091467 /nfs/dbraw/zinc/09/14/67/412091467.db2.gz FKGBBLQDHCKHOX-UHFFFAOYSA-N 2 1 222.376 2.236 20 0 BEADMP CCc1ccccc1C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662307077 412092612 /nfs/dbraw/zinc/09/26/12/412092612.db2.gz VPDMPZIKAQFRBT-UHFFFAOYSA-N 2 1 230.355 2.172 20 0 BEADMP CCc1ccccc1C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662307077 412092615 /nfs/dbraw/zinc/09/26/15/412092615.db2.gz VPDMPZIKAQFRBT-UHFFFAOYSA-N 2 1 230.355 2.172 20 0 BEADMP [NH3+]CC12CC(C1)C[N@H+]2CC1CCCCCC1 ZINC000662307315 412093013 /nfs/dbraw/zinc/09/30/13/412093013.db2.gz ZXIXEZDGOPGHNY-UHFFFAOYSA-N 2 1 222.376 2.380 20 0 BEADMP FCC[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000662312695 412094770 /nfs/dbraw/zinc/09/47/70/412094770.db2.gz YZFNCJNMYYYBBR-ZIAGYGMSSA-N 2 1 242.382 2.448 20 0 BEADMP FCC[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000662310624 412094776 /nfs/dbraw/zinc/09/47/76/412094776.db2.gz LSYHKHFZOQLDIG-AWEZNQCLSA-N 2 1 242.382 2.448 20 0 BEADMP C(C[N@H+]1CCC[C@@H](C2CCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000662317270 412098227 /nfs/dbraw/zinc/09/82/27/412098227.db2.gz OBGLBTOOXMSJLK-DZGCQCFKSA-N 2 1 236.403 2.498 20 0 BEADMP CC[C@H](C)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319149 412098901 /nfs/dbraw/zinc/09/89/01/412098901.db2.gz FMIAHFDZJBGLFE-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000662324382 412102366 /nfs/dbraw/zinc/10/23/66/412102366.db2.gz WTEKODURVZWMTK-AWEZNQCLSA-N 2 1 232.371 2.258 20 0 BEADMP c1ccc(C23CC(C2)C[N@@H+]3C[C@@H]2CC[NH2+]C2)cc1 ZINC000662328527 412104625 /nfs/dbraw/zinc/10/46/25/412104625.db2.gz RPPAUNBWWAEVMH-VQCLRJIVSA-N 2 1 242.366 2.217 20 0 BEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC2CC1(C)C2 ZINC000662382578 412134057 /nfs/dbraw/zinc/13/40/57/412134057.db2.gz ZPNNREKYJRSUFW-MOKVOYLWSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC2CC1(C)C2 ZINC000662382578 412134059 /nfs/dbraw/zinc/13/40/59/412134059.db2.gz ZPNNREKYJRSUFW-MOKVOYLWSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC2CC1(C)C2 ZINC000662382578 412134063 /nfs/dbraw/zinc/13/40/63/412134063.db2.gz ZPNNREKYJRSUFW-MOKVOYLWSA-N 2 1 222.376 2.345 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000665237450 412178585 /nfs/dbraw/zinc/17/85/85/412178585.db2.gz BGPPMHDJBOWDSY-CHWSQXEVSA-N 2 1 230.311 2.402 20 0 BEADMP COc1ccc([C@@H](C)[C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000665243618 412186899 /nfs/dbraw/zinc/18/68/99/412186899.db2.gz NWDHSLRWNRGWDR-OBJOEFQTSA-N 2 1 248.370 2.139 20 0 BEADMP CC[C@H]([NH2+]C[C@H](C)c1ccccn1)[C@@H]1CCC[NH2+]1 ZINC000665232812 412172843 /nfs/dbraw/zinc/17/28/43/412172843.db2.gz USFCKZPNATYRHG-YDHLFZDLSA-N 2 1 247.386 2.305 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)[C@H]1CCCC[NH2+]1 ZINC000665274070 412216001 /nfs/dbraw/zinc/21/60/01/412216001.db2.gz JGGNYLPYFMQJDO-HBNTYKKESA-N 2 1 246.345 2.398 20 0 BEADMP C[C@@H](Cc1cccs1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277131 412221377 /nfs/dbraw/zinc/22/13/77/412221377.db2.gz UQVUBIWQDBZFRP-ZBOXLXRLSA-N 2 1 236.384 2.021 20 0 BEADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccco1 ZINC000665279707 412222964 /nfs/dbraw/zinc/22/29/64/412222964.db2.gz KGMJKXLBXZTJDV-WDEREUQCSA-N 2 1 210.321 2.304 20 0 BEADMP CC[C@@H](Cc1cccs1)[NH2+][C@H](C)C[NH2+]C ZINC000665295511 412242739 /nfs/dbraw/zinc/24/27/39/412242739.db2.gz FJOJHIRSAXOBDH-MNOVXSKESA-N 2 1 226.389 2.267 20 0 BEADMP C[NH+]1CCC2(CCC[N@@H+](CCCF)C2)CC1 ZINC000374179494 173002836 /nfs/dbraw/zinc/00/28/36/173002836.db2.gz UAUSHVMFFFKAJP-UHFFFAOYSA-N 2 1 228.355 2.154 20 0 BEADMP C[NH+]1CCC2(CCC[N@@H+](CC3CC3)C2)CC1 ZINC000369702655 173002911 /nfs/dbraw/zinc/00/29/11/173002911.db2.gz JYTVQOKKXIIMTP-UHFFFAOYSA-N 2 1 222.376 2.204 20 0 BEADMP C[N@H+]1CCCN(c2cc[nH+]c3ccccc32)CC1 ZINC000264684444 173019732 /nfs/dbraw/zinc/01/97/32/173019732.db2.gz XVVWIKUKFBGTBV-UHFFFAOYSA-N 2 1 241.338 2.377 20 0 BEADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccco3)CC[C@H]21 ZINC000245717893 173035752 /nfs/dbraw/zinc/03/57/52/173035752.db2.gz DBDLLVZVCYAHMO-TZMCWYRMSA-N 2 1 234.343 2.196 20 0 BEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccco3)CC[C@H]21 ZINC000245717893 173035754 /nfs/dbraw/zinc/03/57/54/173035754.db2.gz DBDLLVZVCYAHMO-TZMCWYRMSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccco3)CC[C@H]21 ZINC000245717893 173035757 /nfs/dbraw/zinc/03/57/57/173035757.db2.gz DBDLLVZVCYAHMO-TZMCWYRMSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccco3)CC[C@H]21 ZINC000245717893 173035760 /nfs/dbraw/zinc/03/57/60/173035760.db2.gz DBDLLVZVCYAHMO-TZMCWYRMSA-N 2 1 234.343 2.196 20 0 BEADMP C[N@@H+](CCC1CC1)C[C@H]1CCC[NH+](C)C1 ZINC000336645587 173040511 /nfs/dbraw/zinc/04/05/11/173040511.db2.gz IEIWFUKXQUDSNO-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP C[NH+](CCC1CC1)C[C@H]1CCC[N@H+](C)C1 ZINC000336645587 173040513 /nfs/dbraw/zinc/04/05/13/173040513.db2.gz IEIWFUKXQUDSNO-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP C[NH+](CCC1CC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000336645587 173040516 /nfs/dbraw/zinc/04/05/16/173040516.db2.gz IEIWFUKXQUDSNO-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP C[N@H+]1CCC[C@H]2C[NH+](CC3CCC3)CC[C@@H]21 ZINC000336585045 173059647 /nfs/dbraw/zinc/05/96/47/173059647.db2.gz BIGZDHSREYJGTI-KBPBESRZSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@H+](CC3CCC3)CC[C@@H]21 ZINC000336585045 173059649 /nfs/dbraw/zinc/05/96/49/173059649.db2.gz BIGZDHSREYJGTI-KBPBESRZSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3CCC3)CC[C@@H]21 ZINC000336585045 173059651 /nfs/dbraw/zinc/05/96/51/173059651.db2.gz BIGZDHSREYJGTI-KBPBESRZSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@H+]1CCC[C@H]2C[NH+](CCC3CC3)CC[C@H]21 ZINC000335904938 173060306 /nfs/dbraw/zinc/06/03/06/173060306.db2.gz NYEYWFWAYBDVLA-UONOGXRCSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@H+](CCC3CC3)CC[C@H]21 ZINC000335904938 173060307 /nfs/dbraw/zinc/06/03/07/173060307.db2.gz NYEYWFWAYBDVLA-UONOGXRCSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC3CC3)CC[C@H]21 ZINC000335904938 173060309 /nfs/dbraw/zinc/06/03/09/173060309.db2.gz NYEYWFWAYBDVLA-UONOGXRCSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@H+]1CC[C@@]2(CC[NH+](CCc3ccccc3)C2)C1 ZINC000292206517 173139662 /nfs/dbraw/zinc/13/96/62/173139662.db2.gz SSLSTGICNMTMTP-MRXNPFEDSA-N 2 1 244.382 2.257 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@H+](CCc3ccccc3)C2)C1 ZINC000292206517 173139664 /nfs/dbraw/zinc/13/96/64/173139664.db2.gz SSLSTGICNMTMTP-MRXNPFEDSA-N 2 1 244.382 2.257 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000292206517 173139665 /nfs/dbraw/zinc/13/96/65/173139665.db2.gz SSLSTGICNMTMTP-MRXNPFEDSA-N 2 1 244.382 2.257 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC2CCC2)[C@H]2CCC[C@@H]21 ZINC000309501066 173152500 /nfs/dbraw/zinc/15/25/00/173152500.db2.gz ZTNQMCHRWHERJX-RDBSUJKOSA-N 2 1 222.376 2.249 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CC2)[C@@H]2CCC[C@@H]21 ZINC000336770476 173153073 /nfs/dbraw/zinc/15/30/73/173153073.db2.gz SXOQOIXBJNQVTM-AVGNSLFASA-N 2 1 222.376 2.249 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CC2)[C@H]2CCC[C@@H]21 ZINC000336770475 173153538 /nfs/dbraw/zinc/15/35/38/173153538.db2.gz SXOQOIXBJNQVTM-AGIUHOORSA-N 2 1 222.376 2.249 20 0 BEADMP C[N@H+]1CC[C@]2(CC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC000336268432 173166370 /nfs/dbraw/zinc/16/63/70/173166370.db2.gz LDPCAYYBVBMALG-LBPRGKRZSA-N 2 1 244.329 2.059 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@H+](CC3CC(F)(F)C3)C2)C1 ZINC000336268432 173166371 /nfs/dbraw/zinc/16/63/71/173166371.db2.gz LDPCAYYBVBMALG-LBPRGKRZSA-N 2 1 244.329 2.059 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@@H+](CC3CC(F)(F)C3)C2)C1 ZINC000336268432 173166374 /nfs/dbraw/zinc/16/63/74/173166374.db2.gz LDPCAYYBVBMALG-LBPRGKRZSA-N 2 1 244.329 2.059 20 0 BEADMP C[N@H+]1CC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC000336280403 173168562 /nfs/dbraw/zinc/16/85/62/173168562.db2.gz CVUIVKFNWLDFAC-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC000336280403 173168565 /nfs/dbraw/zinc/16/85/65/173168565.db2.gz CVUIVKFNWLDFAC-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC000336280403 173168567 /nfs/dbraw/zinc/16/85/67/173168567.db2.gz CVUIVKFNWLDFAC-AWEZNQCLSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)(C)C ZINC000054628701 173323907 /nfs/dbraw/zinc/32/39/07/173323907.db2.gz KYWASHCOVJPCQH-YOGCLGLASA-N 2 1 210.365 2.247 20 0 BEADMP C[NH2+]CCC[N@@H+](C)[C@H](C)c1ccccc1 ZINC000077299952 173346054 /nfs/dbraw/zinc/34/60/54/173346054.db2.gz UHVUAVYWAXSXBP-GFCCVEGCSA-N 2 1 206.333 2.289 20 0 BEADMP C[NH2+]CCC[N@@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000124798621 173346422 /nfs/dbraw/zinc/34/64/22/173346422.db2.gz MCSHONRMXBZQES-OAHLLOKOSA-N 2 1 232.371 2.085 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000011892049 173369792 /nfs/dbraw/zinc/36/97/92/173369792.db2.gz YBNCTWRPIRHPKI-HNNXBMFYSA-N 2 1 232.371 2.161 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OC)c(C)c2)C1 ZINC000071142504 173370281 /nfs/dbraw/zinc/37/02/81/173370281.db2.gz JPTRKFDCWTXOIS-AWEZNQCLSA-N 2 1 248.370 2.045 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@H](C)C2)C1 ZINC000251672428 173370492 /nfs/dbraw/zinc/37/04/92/173370492.db2.gz GNDJYIUWQFTCNE-MJBXVCDLSA-N 2 1 224.392 2.354 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H](C)c1ccccc1 ZINC000133013164 173380016 /nfs/dbraw/zinc/38/00/16/173380016.db2.gz FNKILNQUMLSMIB-UKRRQHHQSA-N 2 1 232.371 2.474 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H](C)c1ccccc1 ZINC000133013164 173380018 /nfs/dbraw/zinc/38/00/18/173380018.db2.gz FNKILNQUMLSMIB-UKRRQHHQSA-N 2 1 232.371 2.474 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cccc(C)c1C ZINC000133077712 173380486 /nfs/dbraw/zinc/38/04/86/173380486.db2.gz RKEHLRAHFAPZAG-OAHLLOKOSA-N 2 1 232.371 2.487 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cccc(C)c1C ZINC000133077712 173380487 /nfs/dbraw/zinc/38/04/87/173380487.db2.gz RKEHLRAHFAPZAG-OAHLLOKOSA-N 2 1 232.371 2.487 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000053032175 173381838 /nfs/dbraw/zinc/38/18/38/173381838.db2.gz NGRKENWEZCUZFI-VXGBXAGGSA-N 2 1 236.334 2.428 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000053032175 173381840 /nfs/dbraw/zinc/38/18/40/173381840.db2.gz NGRKENWEZCUZFI-VXGBXAGGSA-N 2 1 236.334 2.428 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC000011891907 173382210 /nfs/dbraw/zinc/38/22/10/173382210.db2.gz CGHVQMJPGMGXRG-CQSZACIVSA-N 2 1 218.344 2.036 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC=C(C)C)C1 ZINC000662238831 487626911 /nfs/dbraw/zinc/62/69/11/487626911.db2.gz XXMJTTROLVDWET-ZDUSSCGKSA-N 2 1 210.365 2.274 20 0 BEADMP COC1CCC([NH2+][C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000310409891 174022659 /nfs/dbraw/zinc/02/26/59/174022659.db2.gz ITCKJJOOCDRYGE-IYXRBSQSSA-N 2 1 242.407 2.262 20 0 BEADMP COC1CCC([NH2+][C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000310409891 174022660 /nfs/dbraw/zinc/02/26/60/174022660.db2.gz ITCKJJOOCDRYGE-IYXRBSQSSA-N 2 1 242.407 2.262 20 0 BEADMP CCC1(CC)CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000087254654 487628063 /nfs/dbraw/zinc/62/80/63/487628063.db2.gz ZCWLKDLBLOQKIV-LBPRGKRZSA-N 2 1 210.365 2.108 20 0 BEADMP COCCCCC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352496516 174178429 /nfs/dbraw/zinc/17/84/29/174178429.db2.gz WWYNKQLWEPMRGG-CYBMUJFWSA-N 2 1 228.380 2.006 20 0 BEADMP COCCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363546412 174264102 /nfs/dbraw/zinc/26/41/02/174264102.db2.gz RKZOAPLDPKJKKU-MJBXVCDLSA-N 2 1 240.391 2.018 20 0 BEADMP COCC[NH+]1CCC([NH2+]CCC=C(C)C)CC1 ZINC000358888103 174305829 /nfs/dbraw/zinc/30/58/29/174305829.db2.gz REHNPVAYFRTCRK-UHFFFAOYSA-N 2 1 240.391 2.043 20 0 BEADMP COCC[C@@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000045018808 174383154 /nfs/dbraw/zinc/38/31/54/174383154.db2.gz QWBSQIVIWAPXEK-KGLIPLIRSA-N 2 1 242.407 2.121 20 0 BEADMP COc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000113712529 175096359 /nfs/dbraw/zinc/09/63/59/175096359.db2.gz WLHZGLSKYAPCPF-CQSZACIVSA-N 2 1 248.370 2.269 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000126873029 175102821 /nfs/dbraw/zinc/10/28/21/175102821.db2.gz JRARVLLLAJZYFS-OCCSQVGLSA-N 2 1 248.370 2.173 20 0 BEADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[NH+](C)C)CC2 ZINC000092835425 175215830 /nfs/dbraw/zinc/21/58/30/175215830.db2.gz LOUDYCLTNFKICN-OAHLLOKOSA-N 2 1 248.370 2.224 20 0 BEADMP COc1cccc(C[N@@H+](C)CC(C)(C)C[NH3+])c1 ZINC000051286029 175253528 /nfs/dbraw/zinc/25/35/28/175253528.db2.gz VGOFLIOMPSODBY-UHFFFAOYSA-N 2 1 236.359 2.112 20 0 BEADMP COc1cccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000049713131 175259632 /nfs/dbraw/zinc/25/96/32/175259632.db2.gz PPNDBIXHMNCWLQ-DGCLKSJQSA-N 2 1 234.343 2.007 20 0 BEADMP COc1cccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000037267138 175286652 /nfs/dbraw/zinc/28/66/52/175286652.db2.gz WUMXHOGGKJRSDM-GFCCVEGCSA-N 2 1 248.370 2.440 20 0 BEADMP COc1ccccc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000113712552 175325475 /nfs/dbraw/zinc/32/54/75/175325475.db2.gz ITISELDKPDOPOR-AWEZNQCLSA-N 2 1 248.370 2.269 20 0 BEADMP COc1ccccc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000113712552 175325477 /nfs/dbraw/zinc/32/54/77/175325477.db2.gz ITISELDKPDOPOR-AWEZNQCLSA-N 2 1 248.370 2.269 20 0 BEADMP COc1ccccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163488177 175328050 /nfs/dbraw/zinc/32/80/50/175328050.db2.gz WKBONDJEZHGZOB-OCCSQVGLSA-N 2 1 248.370 2.112 20 0 BEADMP COc1ccccc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000070074070 175328142 /nfs/dbraw/zinc/32/81/42/175328142.db2.gz WETASUQCQJWPHM-AWEZNQCLSA-N 2 1 248.370 2.399 20 0 BEADMP C[C@@H](c1ccccn1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000095068224 176026994 /nfs/dbraw/zinc/02/69/94/176026994.db2.gz AEVYYNQGMOLKNQ-QWHCGFSZSA-N 2 1 233.359 2.074 20 0 BEADMP C[C@@H](c1ccccn1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000095068224 176026995 /nfs/dbraw/zinc/02/69/95/176026995.db2.gz AEVYYNQGMOLKNQ-QWHCGFSZSA-N 2 1 233.359 2.074 20 0 BEADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccncc1 ZINC000004185284 176070629 /nfs/dbraw/zinc/07/06/29/176070629.db2.gz IOTBFUNGVCCJAZ-CQSZACIVSA-N 2 1 247.386 2.436 20 0 BEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccncc1 ZINC000004185284 176070631 /nfs/dbraw/zinc/07/06/31/176070631.db2.gz IOTBFUNGVCCJAZ-CQSZACIVSA-N 2 1 247.386 2.436 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000346158795 176076160 /nfs/dbraw/zinc/07/61/60/176076160.db2.gz AJRHWVIPXWLCCF-KBXIAJHMSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CCC[C@@H](CC[N@@H+]2CC[C@@H]([NH3+])C2)C1 ZINC000226869452 176117589 /nfs/dbraw/zinc/11/75/89/176117589.db2.gz HCRQXGXLRVFCLG-FRRDWIJNSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1CCC[C@@H](CC[N@H+]2CC[C@@H]([NH3+])C2)C1 ZINC000226869452 176117590 /nfs/dbraw/zinc/11/75/90/176117590.db2.gz HCRQXGXLRVFCLG-FRRDWIJNSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1CCC[C@@H](C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000193597382 176118194 /nfs/dbraw/zinc/11/81/94/176118194.db2.gz UNPGWLMRUGPGBO-TUVASFSCSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@@H]1CCC[C@@H](C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC000193597382 176118197 /nfs/dbraw/zinc/11/81/97/176118197.db2.gz UNPGWLMRUGPGBO-TUVASFSCSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000336673289 176227051 /nfs/dbraw/zinc/22/70/51/176227051.db2.gz AKEPWHNPDBBDFQ-YIYPIFLZSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC1(C)CC1 ZINC000336763772 176271084 /nfs/dbraw/zinc/27/10/84/176271084.db2.gz PNIBBQFTASDSIT-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC1(C)CC1 ZINC000309767178 176278622 /nfs/dbraw/zinc/27/86/22/176278622.db2.gz JRPIXFPFXLUVHB-UPJWGTAASA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC1(C)C ZINC000045117132 176278735 /nfs/dbraw/zinc/27/87/35/176278735.db2.gz XOLBYBXNFITZAE-WISYIIOYSA-N 2 1 210.365 2.103 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CSC1(C)C ZINC000309823375 176280793 /nfs/dbraw/zinc/28/07/93/176280793.db2.gz WVTQGNGZADXBRE-DDHJBXDOSA-N 2 1 242.432 2.199 20 0 BEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccoc1 ZINC000132525389 176280817 /nfs/dbraw/zinc/28/08/17/176280817.db2.gz ZBJOBOHHUOZYFZ-NQBHXWOUSA-N 2 1 222.332 2.098 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccoc1 ZINC000132525389 176280819 /nfs/dbraw/zinc/28/08/19/176280819.db2.gz ZBJOBOHHUOZYFZ-NQBHXWOUSA-N 2 1 222.332 2.098 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CCCCC2)CC[C@@H]1[NH3+] ZINC000049710704 176286758 /nfs/dbraw/zinc/28/67/58/176286758.db2.gz JDTXEYQOJHLZCZ-YPMHNXCESA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC000335664603 176293696 /nfs/dbraw/zinc/29/36/96/176293696.db2.gz UIYFUXVTSOJEHF-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251604119 176317283 /nfs/dbraw/zinc/31/72/83/176317283.db2.gz DEXULUOWZSCBAU-BZPMIXESSA-N 2 1 218.344 2.417 20 0 BEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCC(C)(C)C ZINC000300958956 176367799 /nfs/dbraw/zinc/36/77/99/176367799.db2.gz YFAGVUXRAUIKNV-NEPJUHHUSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3CCC[C@@H]3C2)CC[NH2+]1 ZINC000235414084 176369025 /nfs/dbraw/zinc/36/90/25/176369025.db2.gz VLRLSDLJSDDBBN-RQJABVFESA-N 2 1 222.376 2.106 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC2(C)C)CC[N@@H+]1C ZINC000336714790 176379226 /nfs/dbraw/zinc/37/92/26/176379226.db2.gz WHBOPQOZOYFPCL-WOPDTQHZSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC2(C)C)CC[N@H+]1C ZINC000336714790 176379227 /nfs/dbraw/zinc/37/92/27/176379227.db2.gz WHBOPQOZOYFPCL-WOPDTQHZSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@H](c1ccc(F)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107579519 177033639 /nfs/dbraw/zinc/03/36/39/177033639.db2.gz RNZFBYADBQUSHV-RTXFEEFZSA-N 2 1 234.318 2.038 20 0 BEADMP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107579519 177033641 /nfs/dbraw/zinc/03/36/41/177033641.db2.gz RNZFBYADBQUSHV-RTXFEEFZSA-N 2 1 234.318 2.038 20 0 BEADMP C[C@@H]1C[C@H]1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000309732275 177075222 /nfs/dbraw/zinc/07/52/22/177075222.db2.gz BLMSQLBBNLNNAT-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H](C[NH2+]C[C@H]1C[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000309744838 177078257 /nfs/dbraw/zinc/07/82/57/177078257.db2.gz IUCHEYXUIADLKP-ZOBORPQBSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H](C[NH2+]C[C@H]1C[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000309744838 177078258 /nfs/dbraw/zinc/07/82/58/177078258.db2.gz IUCHEYXUIADLKP-ZOBORPQBSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]1CCC[C@H](CC[N@@H+]2CC[C@H]([NH3+])C2)C1 ZINC000070559896 177132181 /nfs/dbraw/zinc/13/21/81/177132181.db2.gz HCRQXGXLRVFCLG-XQQFMLRXSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]1CCC[C@H](CC[N@H+]2CC[C@H]([NH3+])C2)C1 ZINC000070559896 177132182 /nfs/dbraw/zinc/13/21/82/177132182.db2.gz HCRQXGXLRVFCLG-XQQFMLRXSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]1CCC[C@H](C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000193597366 177133069 /nfs/dbraw/zinc/13/30/69/177133069.db2.gz UNPGWLMRUGPGBO-ZQDZILKHSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@H]1CCC[C@H](C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC000193597366 177133070 /nfs/dbraw/zinc/13/30/70/177133070.db2.gz UNPGWLMRUGPGBO-ZQDZILKHSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@H]1CCC[C@H](C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC000193597366 177133072 /nfs/dbraw/zinc/13/30/72/177133072.db2.gz UNPGWLMRUGPGBO-ZQDZILKHSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000037248674 177136575 /nfs/dbraw/zinc/13/65/75/177136575.db2.gz KAXPNNBZCDLPKH-AAEUAGOBSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1C[N@@H+](CC[NH2+]C(C)(C)C)CC[C@@H]1C ZINC000135197922 177160800 /nfs/dbraw/zinc/16/08/00/177160800.db2.gz PDQRTUXZLVQQRN-RYUDHWBXSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@H]1C[N@H+](CC[NH2+]C(C)(C)C)CC[C@@H]1C ZINC000135197922 177160802 /nfs/dbraw/zinc/16/08/02/177160802.db2.gz PDQRTUXZLVQQRN-RYUDHWBXSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@H]1CC[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000309818104 177195798 /nfs/dbraw/zinc/19/57/98/177195798.db2.gz VSPDERZCMAYJFA-ONGXEEELSA-N 2 1 239.388 2.093 20 0 BEADMP C[C@H]1C[N@@H+](CCCC(C)(C)C)CC[C@@H]1[NH3+] ZINC000300836079 177248142 /nfs/dbraw/zinc/24/81/42/177248142.db2.gz INTNPPMNVQNEMS-RYUDHWBXSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000310290933 177284822 /nfs/dbraw/zinc/28/48/22/177284822.db2.gz ROEWUUKWAPZMCI-TVQRCGJNSA-N 2 1 240.297 2.052 20 0 BEADMP Cc1ccncc1[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000271517582 487637804 /nfs/dbraw/zinc/63/78/04/487637804.db2.gz IVYIMFRIISJSOP-GFCCVEGCSA-N 2 1 233.359 2.135 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCCF ZINC000336713661 177330353 /nfs/dbraw/zinc/33/03/53/177330353.db2.gz VSEKDGSSWCAMSE-GRYCIOLGSA-N 2 1 216.344 2.054 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1F ZINC000049708659 177326516 /nfs/dbraw/zinc/32/65/16/177326516.db2.gz OSGWSRKFNGLUGL-JQWIXIFHSA-N 2 1 222.307 2.137 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1F ZINC000049708659 177326517 /nfs/dbraw/zinc/32/65/17/177326517.db2.gz OSGWSRKFNGLUGL-JQWIXIFHSA-N 2 1 222.307 2.137 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC(C)(F)F ZINC000357719313 177330756 /nfs/dbraw/zinc/33/07/56/177330756.db2.gz ZAPRIVTYXVMETN-OUAUKWLOSA-N 2 1 234.334 2.350 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000359003343 177330839 /nfs/dbraw/zinc/33/08/39/177330839.db2.gz QTAMMOKJHFZPCH-OUAUKWLOSA-N 2 1 246.345 2.350 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1CCC1 ZINC000036908573 177331361 /nfs/dbraw/zinc/33/13/61/177331361.db2.gz JKIVNZGGCZWCHQ-NTZNESFSSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CC[N@H+]1C ZINC000073655701 177331602 /nfs/dbraw/zinc/33/16/02/177331602.db2.gz KZTLAVPYGULHBC-JSGCOSHPSA-N 2 1 218.344 2.259 20 0 BEADMP C[C@H]1C[C@@H]1C[NH2+]CC1([NH+](C)C)CCCC1 ZINC000336772724 177345178 /nfs/dbraw/zinc/34/51/78/177345178.db2.gz YHLMYGCNVJPHIX-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1C[C@H](C[N@H+]2CCCC2(C)C)CC[NH2+]1 ZINC000235661578 177362036 /nfs/dbraw/zinc/36/20/36/177362036.db2.gz SKCSDAHEWGIHIJ-NWDGAFQWSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1C[C@H](C[N@H+]2CCC[C@@H](C)CC2)CC[NH2+]1 ZINC000235311382 177362417 /nfs/dbraw/zinc/36/24/17/177362417.db2.gz IASXGRNIGYYJPC-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1C[C@H]([NH+](C)CC2CCC2)CC[N@@H+]1C ZINC000336084587 177364015 /nfs/dbraw/zinc/36/40/15/177364015.db2.gz CZSXWWFELHDLRB-WCQYABFASA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]1C[C@H]([NH+](C)CC2CCC2)CC[N@H+]1C ZINC000336084587 177364017 /nfs/dbraw/zinc/36/40/17/177364017.db2.gz CZSXWWFELHDLRB-WCQYABFASA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]1C[C@H]([N@H+](C)CC2CCC2)CC[NH+]1C ZINC000336084587 177364019 /nfs/dbraw/zinc/36/40/19/177364019.db2.gz CZSXWWFELHDLRB-WCQYABFASA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]1C[C@H]([N@@H+](C)CC2CCC2)CC[NH+]1C ZINC000336084587 177364020 /nfs/dbraw/zinc/36/40/20/177364020.db2.gz CZSXWWFELHDLRB-WCQYABFASA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1CCC1 ZINC000036908571 177368848 /nfs/dbraw/zinc/36/88/48/177368848.db2.gz JKIVNZGGCZWCHQ-MDZLAQPJSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CC2CCSCC2)CC[N@H+]1C ZINC000133658116 177368920 /nfs/dbraw/zinc/36/89/20/177368920.db2.gz HSGPWRDXQASNIR-WCQYABFASA-N 2 1 242.432 2.202 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000495071950 226275915 /nfs/dbraw/zinc/27/59/15/226275915.db2.gz QPMZKNMGSBWTJK-NRWUCQMLSA-N 2 1 235.375 2.462 20 0 BEADMP C[C@H]([NH2+][C@H]1CC12CCCC2)[C@@H]1CCC[NH2+]1 ZINC000400391604 226342448 /nfs/dbraw/zinc/34/24/48/226342448.db2.gz OGLNIVZLJCSARS-SRVKXCTJSA-N 2 1 208.349 2.049 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC12CCCC2)[C@@H]1CCC[NH2+]1 ZINC000400391598 226342479 /nfs/dbraw/zinc/34/24/79/226342479.db2.gz OGLNIVZLJCSARS-SDDRHHMPSA-N 2 1 208.349 2.049 20 0 BEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CC12CC2 ZINC000424377584 229160158 /nfs/dbraw/zinc/16/01/58/229160158.db2.gz RLLVCUIVFCRECG-UBHSHLNASA-N 2 1 230.355 2.087 20 0 BEADMP C[C@H]([N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)C1(C)CC1 ZINC000309033365 229309869 /nfs/dbraw/zinc/30/98/69/229309869.db2.gz DCWBJDDCTDHJHW-NTZNESFSSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@H](C[N@H+]1CC[C@H]([NH3+])C[C@H]1C)C(C)(C)C ZINC000162971357 487675615 /nfs/dbraw/zinc/67/56/15/487675615.db2.gz OSQMGWAKOYHMCE-UTUOFQBUSA-N 2 1 212.381 2.480 20 0 BEADMP C[C@H](C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C)C(C)(C)C ZINC000162971124 487675724 /nfs/dbraw/zinc/67/57/24/487675724.db2.gz OSQMGWAKOYHMCE-IJLUTSLNSA-N 2 1 212.381 2.480 20 0 BEADMP CC[C@@H](C)C[N@@H+](CC)C[C@H](O)C[NH+](C)C(C)C ZINC000383842539 487677646 /nfs/dbraw/zinc/67/76/46/487677646.db2.gz ZQXQYXCBICDIEI-ZIAGYGMSSA-N 2 1 244.423 2.056 20 0 BEADMP CC[C@@H](C)C[NH+](CC)C[C@H](O)C[N@H+](C)C(C)C ZINC000383842539 487677648 /nfs/dbraw/zinc/67/76/48/487677648.db2.gz ZQXQYXCBICDIEI-ZIAGYGMSSA-N 2 1 244.423 2.056 20 0 BEADMP CC[C@@H](C)C[NH+](CC)C[C@H](O)C[N@@H+](C)C(C)C ZINC000383842539 487677651 /nfs/dbraw/zinc/67/76/51/487677651.db2.gz ZQXQYXCBICDIEI-ZIAGYGMSSA-N 2 1 244.423 2.056 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]C2C[C@@H](C)C[C@H](C)C2)C1 ZINC000401709051 487682721 /nfs/dbraw/zinc/68/27/21/487682721.db2.gz CSACSSPBWCYWDH-ZJQBRPOHSA-N 2 1 224.392 2.399 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000087792728 487686517 /nfs/dbraw/zinc/68/65/17/487686517.db2.gz YUTMPNUTEHAENN-CHWSQXEVSA-N 2 1 242.432 2.204 20 0 BEADMP CC(C)C[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000396780021 262821552 /nfs/dbraw/zinc/82/15/52/262821552.db2.gz URZICZSHJUQPIL-KBPBESRZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CC12CC2 ZINC000527918345 262894901 /nfs/dbraw/zinc/89/49/01/262894901.db2.gz WDLKUYWBIJRZNZ-IHRRRGAJSA-N 2 1 236.403 2.497 20 0 BEADMP CCCC1CCC([NH2+]CC2([NH3+])CC2)CC1 ZINC000902416085 584590325 /nfs/dbraw/zinc/59/03/25/584590325.db2.gz RKOAYJWRAAUJLY-UHFFFAOYSA-N 2 1 210.365 2.426 20 0 BEADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC1([NH3+])CC1 ZINC000902416269 584590619 /nfs/dbraw/zinc/59/06/19/584590619.db2.gz MLUMKHRMPTWXLJ-GHMZBOCLSA-N 2 1 210.365 2.282 20 0 BEADMP CC[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)C(C)C)CCO1 ZINC000226340019 487714467 /nfs/dbraw/zinc/71/44/67/487714467.db2.gz JIAGANJGGRZTTH-ZIAGYGMSSA-N 2 1 242.407 2.264 20 0 BEADMP c1cncc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000249920699 487725797 /nfs/dbraw/zinc/72/57/97/487725797.db2.gz VETUIURHQDMZIE-LSDHHAIUSA-N 2 1 245.370 2.046 20 0 BEADMP c1cncc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000249920699 487725801 /nfs/dbraw/zinc/72/58/01/487725801.db2.gz VETUIURHQDMZIE-LSDHHAIUSA-N 2 1 245.370 2.046 20 0 BEADMP FC(F)C1CC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000681112202 487730705 /nfs/dbraw/zinc/73/07/05/487730705.db2.gz BTCWWZWMLVIQLK-POSLAHMBSA-N 2 1 244.329 2.247 20 0 BEADMP C[C@@H](c1ccncc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163484601 487732660 /nfs/dbraw/zinc/73/26/60/487732660.db2.gz JYLRZAJAQQIHCS-DYEKYZERSA-N 2 1 233.359 2.059 20 0 BEADMP CC[C@@]1(C)CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000379462403 487734220 /nfs/dbraw/zinc/73/42/20/487734220.db2.gz UKWLVJVPNUJENT-STQMWFEESA-N 2 1 210.365 2.108 20 0 BEADMP CC(C)(C)[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000250691603 487739205 /nfs/dbraw/zinc/73/92/05/487739205.db2.gz JWBAPILCSYUBKG-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@H]1C1CCCC1 ZINC000251023196 487745778 /nfs/dbraw/zinc/74/57/78/487745778.db2.gz FKKGFYYKAWFZGY-JSGCOSHPSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CC1(F)F ZINC000666228486 487764759 /nfs/dbraw/zinc/76/47/59/487764759.db2.gz RSVNBEPZHANCJL-MMWGEVLESA-N 2 1 232.318 2.102 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CC1(F)F ZINC000666228486 487764763 /nfs/dbraw/zinc/76/47/63/487764763.db2.gz RSVNBEPZHANCJL-MMWGEVLESA-N 2 1 232.318 2.102 20 0 BEADMP CC[C@@H]1C[N@H+]([C@H](C)c2ccncc2)CC[C@H]1[NH3+] ZINC000251585603 487772106 /nfs/dbraw/zinc/77/21/06/487772106.db2.gz CMWOQXROWDZXLO-YRGRVCCFSA-N 2 1 233.359 2.202 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000300669628 487788192 /nfs/dbraw/zinc/78/81/92/487788192.db2.gz RTTJOLKRWLCCJC-MGPQQGTHSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000300669628 487788198 /nfs/dbraw/zinc/78/81/98/487788198.db2.gz RTTJOLKRWLCCJC-MGPQQGTHSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccncc1 ZINC000675926986 487793248 /nfs/dbraw/zinc/79/32/48/487793248.db2.gz KAAQCZPAILROKT-IPYPFGDCSA-N 2 1 247.386 2.257 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000459799667 487800453 /nfs/dbraw/zinc/80/04/53/487800453.db2.gz YVRRDOGOSXHFLN-SNPRPXQTSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@H]1C[N@@H+](Cc2ccccc2OC)CC[C@H]1[NH3+] ZINC000251923469 487807698 /nfs/dbraw/zinc/80/76/98/487807698.db2.gz YQFJSYOITMWXLP-GXTWGEPZSA-N 2 1 248.370 2.254 20 0 BEADMP CC[C@@H]1C[N@H+](Cc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000251918532 487807958 /nfs/dbraw/zinc/80/79/58/487807958.db2.gz YIAUZRJWTRBGOQ-TZMCWYRMSA-N 2 1 236.334 2.385 20 0 BEADMP CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000251918532 487807962 /nfs/dbraw/zinc/80/79/62/487807962.db2.gz YIAUZRJWTRBGOQ-TZMCWYRMSA-N 2 1 236.334 2.385 20 0 BEADMP Cc1ccccc1C[NH2+]C[C@H]([NH3+])CC(C)C ZINC000415088370 487808888 /nfs/dbraw/zinc/80/88/88/487808888.db2.gz LWOSXYWFVRNIBQ-CQSZACIVSA-N 2 1 220.360 2.458 20 0 BEADMP C[C@@H]1CCC[C@H]([N@@H+](C)C[C@H]2CC[NH2+]C2)C1 ZINC000251953165 487809539 /nfs/dbraw/zinc/80/95/39/487809539.db2.gz XABDLEAURPRWHR-AGIUHOORSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@]1(c2ccc(F)cc2)CC[N@@H+](CCC[NH3+])C1 ZINC000414740124 487820455 /nfs/dbraw/zinc/82/04/55/487820455.db2.gz JKZUTDHQKFBQRJ-CQSZACIVSA-N 2 1 236.334 2.138 20 0 BEADMP COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CCC[NH3+])c1 ZINC000414740202 487820494 /nfs/dbraw/zinc/82/04/94/487820494.db2.gz KTPNDLRVHIOJJB-DOMZBBRYSA-N 2 1 248.370 2.427 20 0 BEADMP COc1ccc2c(c1)C[C@H](C)[N@H+](CCC[NH3+])[C@H]2C ZINC000414753537 487821506 /nfs/dbraw/zinc/82/15/06/487821506.db2.gz DUHPAQMWWMJJBB-RYUDHWBXSA-N 2 1 248.370 2.352 20 0 BEADMP CC[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252419008 487824152 /nfs/dbraw/zinc/82/41/52/487824152.db2.gz XSRTUPIIARLOOR-RWMBFGLXSA-N 2 1 210.365 2.249 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(Cl)cc1 ZINC000401888111 487824520 /nfs/dbraw/zinc/82/45/20/487824520.db2.gz VGXURIKSZBOXAZ-UHFFFAOYSA-N 2 1 249.745 2.406 20 0 BEADMP Cc1cnccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253184598 487858036 /nfs/dbraw/zinc/85/80/36/487858036.db2.gz JWEJWPXTRUHLJY-CABCVRRESA-N 2 1 245.370 2.106 20 0 BEADMP Cc1cnccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253184598 487858043 /nfs/dbraw/zinc/85/80/43/487858043.db2.gz JWEJWPXTRUHLJY-CABCVRRESA-N 2 1 245.370 2.106 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+]C1CC(C(F)F)C1 ZINC000681112481 487868559 /nfs/dbraw/zinc/86/85/59/487868559.db2.gz OGPJWIWBJZOUGA-UHFFFAOYSA-N 2 1 243.301 2.215 20 0 BEADMP C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666769913 487875289 /nfs/dbraw/zinc/87/52/89/487875289.db2.gz HFOCQKRTCWRMCN-NXEZZACHSA-N 2 1 238.297 2.449 20 0 BEADMP [NH3+][C@H](C[NH2+]Cc1ccc2cnccc2c1)C1CC1 ZINC000666835907 487888102 /nfs/dbraw/zinc/88/81/02/487888102.db2.gz YXEBEUCVPXUBIW-OAHLLOKOSA-N 2 1 241.338 2.062 20 0 BEADMP COc1ccc(C)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666855490 487891228 /nfs/dbraw/zinc/89/12/28/487891228.db2.gz VOARGUWOHBCAPR-CQSZACIVSA-N 2 1 248.370 2.235 20 0 BEADMP C[C@@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)C(C)(C)C ZINC000666861443 487893221 /nfs/dbraw/zinc/89/32/21/487893221.db2.gz ZDGUFAZGCXWFEA-WOPDTQHZSA-N 2 1 212.381 2.256 20 0 BEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC000666930296 487907792 /nfs/dbraw/zinc/90/77/92/487907792.db2.gz XOWHVBIZEXKWFP-MNOVXSKESA-N 2 1 218.344 2.389 20 0 BEADMP C[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000235154248 487925438 /nfs/dbraw/zinc/92/54/38/487925438.db2.gz JAHBPOIVHAGJCR-RYUDHWBXSA-N 2 1 238.400 2.411 20 0 BEADMP CC1(C)CCC[N@@H+](C[C@H]2CC[NH2+]C2)CC1 ZINC000083680597 487927718 /nfs/dbraw/zinc/92/77/18/487927718.db2.gz PCSQBOQVHJAHHA-LBPRGKRZSA-N 2 1 210.365 2.108 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000667060730 487929668 /nfs/dbraw/zinc/92/96/68/487929668.db2.gz HZIYSMVTKOUQFW-ZIAGYGMSSA-N 2 1 224.392 2.482 20 0 BEADMP FC1(F)C[C@]12CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000652364259 487933206 /nfs/dbraw/zinc/93/32/06/487933206.db2.gz BQGHOECVWZRJLX-LBPRGKRZSA-N 2 1 244.329 2.107 20 0 BEADMP FC1(F)C[C@@]12CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000652364258 487933328 /nfs/dbraw/zinc/93/33/28/487933328.db2.gz BQGHOECVWZRJLX-GFCCVEGCSA-N 2 1 244.329 2.107 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1cccc2cnccc21 ZINC000667054946 487934686 /nfs/dbraw/zinc/93/46/86/487934686.db2.gz PWJDMZONKRKLEF-UHFFFAOYSA-N 2 1 243.354 2.276 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C3CCC3)C2)CC[NH2+]1 ZINC000667060772 487935611 /nfs/dbraw/zinc/93/56/11/487935611.db2.gz YGSUZTHQOJNHTM-UMVBOHGHSA-N 2 1 236.403 2.497 20 0 BEADMP C(C1CCC1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000083839906 487941755 /nfs/dbraw/zinc/94/17/55/487941755.db2.gz YMTNIUSCZAGENU-KBPBESRZSA-N 2 1 222.376 2.251 20 0 BEADMP CC(C)CSCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000397441111 323009560 /nfs/dbraw/zinc/00/95/60/323009560.db2.gz ILMWXKRPEDMCLS-QWHCGFSZSA-N 2 1 244.448 2.496 20 0 BEADMP CCCOc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000562748362 323029753 /nfs/dbraw/zinc/02/97/53/323029753.db2.gz JKTBXEZATYBDCJ-RYUDHWBXSA-N 2 1 236.359 2.301 20 0 BEADMP CC[C@H](NCC[N@H+]1CC[C@H](C)C1)c1ccncc1 ZINC000562779022 323030518 /nfs/dbraw/zinc/03/05/18/323030518.db2.gz UMUVTTJHUNFYPN-ZFWWWQNUSA-N 2 1 247.386 2.464 20 0 BEADMP Cc1nccc(N2CCC[N@H+](C(C)(C)C)CC2)n1 ZINC000525706460 323038684 /nfs/dbraw/zinc/03/86/84/323038684.db2.gz XUDBPOICKQCSNJ-UHFFFAOYSA-N 2 1 248.374 2.096 20 0 BEADMP C1CC1[NH+]1CCC([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000408510147 323047024 /nfs/dbraw/zinc/04/70/24/323047024.db2.gz GOXAHRRFPZTWFQ-GLQYFDAESA-N 2 1 234.387 2.391 20 0 BEADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C)CC1)C1CC1 ZINC000161518141 323049093 /nfs/dbraw/zinc/04/90/93/323049093.db2.gz CIYCWVWEDGUTDA-CYBMUJFWSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC2(F)F)CC[N@H+]1C ZINC000394491615 323055426 /nfs/dbraw/zinc/05/54/26/323055426.db2.gz CPDFKCAMEVZNRW-IJLUTSLNSA-N 2 1 246.345 2.494 20 0 BEADMP Cc1cccnc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397254630 323077313 /nfs/dbraw/zinc/07/73/13/323077313.db2.gz FAYJGITWBMYPMX-IHRRRGAJSA-N 2 1 247.386 2.195 20 0 BEADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccccn1 ZINC000517023933 323081259 /nfs/dbraw/zinc/08/12/59/323081259.db2.gz AHCOXQOJZQHSPX-LBPRGKRZSA-N 2 1 221.348 2.120 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000571037878 323104336 /nfs/dbraw/zinc/10/43/36/323104336.db2.gz KTGCXCMSAXKKCJ-SMDDNHRTSA-N 2 1 248.370 2.400 20 0 BEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1F ZINC000401787823 323122789 /nfs/dbraw/zinc/12/27/89/323122789.db2.gz UXDUMVSAXFCVOO-NSHDSACASA-N 2 1 247.317 2.453 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000414942547 323152186 /nfs/dbraw/zinc/15/21/86/323152186.db2.gz ZQPCSQGWLSROGD-KCXAZCMYSA-N 2 1 244.382 2.132 20 0 BEADMP CC[C@H]1CCC[C@H]1[NH2+]CCC[N@@H+](C)CCOC ZINC000531940478 323155949 /nfs/dbraw/zinc/15/59/49/323155949.db2.gz ABPVOGTWFPBYOT-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000531940794 323156012 /nfs/dbraw/zinc/15/60/12/323156012.db2.gz MRBLERYZRSCBKY-WCQYABFASA-N 2 1 236.359 2.203 20 0 BEADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)C[C@@H](C)S1 ZINC000535469761 323173312 /nfs/dbraw/zinc/17/33/12/323173312.db2.gz VNOFLIJHDVSIMK-JHJVBQTASA-N 2 1 242.432 2.297 20 0 BEADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1C ZINC000250874405 323174200 /nfs/dbraw/zinc/17/42/00/323174200.db2.gz HVAODTRYECNVOX-TZMCWYRMSA-N 2 1 248.370 2.173 20 0 BEADMP Cc1ncccc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000530219781 323218111 /nfs/dbraw/zinc/21/81/11/323218111.db2.gz KGQZVOQQBFLXAY-KBPBESRZSA-N 2 1 233.359 2.140 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000324696478 323263568 /nfs/dbraw/zinc/26/35/68/323263568.db2.gz WSMISCDLHPJSAJ-CQSZACIVSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@@H]1C[C@H]1C ZINC000321658949 323387471 /nfs/dbraw/zinc/38/74/71/323387471.db2.gz WLHQNWREKIFLDQ-JHJVBQTASA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@]1(C)CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000399498857 323393771 /nfs/dbraw/zinc/39/37/71/323393771.db2.gz XDIIBABDEWAASW-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH+]1CCC([NH2+]CC[C@@H]2CC=CCC2)CC1 ZINC000527788063 323695196 /nfs/dbraw/zinc/69/51/96/323695196.db2.gz IWSVAVSTRSOLCZ-CYBMUJFWSA-N 2 1 222.376 2.417 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C(C)(C)C ZINC000133322024 325286360 /nfs/dbraw/zinc/28/63/60/325286360.db2.gz UFNNQNMKVZLSJX-VXGBXAGGSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CCC1 ZINC000133404771 325293854 /nfs/dbraw/zinc/29/38/54/325293854.db2.gz ZRLRJUMLAAGYPE-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000076003685 325325487 /nfs/dbraw/zinc/32/54/87/325325487.db2.gz ZRKWVTOJHJSJDV-ZDUSSCGKSA-N 2 1 212.381 2.306 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCC(C)(C)C ZINC000566967811 326097183 /nfs/dbraw/zinc/09/71/83/326097183.db2.gz JWTVAPNIGDAXJB-NWDGAFQWSA-N 2 1 212.381 2.400 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](F)C2)CC[N@@H+]1C ZINC000567352307 326172017 /nfs/dbraw/zinc/17/20/17/326172017.db2.gz ZQCWLJFNFXIHRT-MROQNXINSA-N 2 1 228.355 2.339 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](F)C2)CC[N@H+]1C ZINC000567352307 326172020 /nfs/dbraw/zinc/17/20/20/326172020.db2.gz ZQCWLJFNFXIHRT-MROQNXINSA-N 2 1 228.355 2.339 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CC(C2CC2)C2CC2)CC[N@H+]1C ZINC000156602395 326236807 /nfs/dbraw/zinc/23/68/07/326236807.db2.gz IUESWCRPDJRQHM-SMDDNHRTSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(F)c1F ZINC000568087470 326306482 /nfs/dbraw/zinc/30/64/82/326306482.db2.gz GTGGWXXUVXKIAH-BDAKNGLRSA-N 2 1 228.286 2.180 20 0 BEADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@@H]1CC1(C)C ZINC000568288424 326341564 /nfs/dbraw/zinc/34/15/64/326341564.db2.gz MTCFUFCYVBAYIV-GFCCVEGCSA-N 2 1 221.348 2.083 20 0 BEADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@@H]1CC1(C)C ZINC000568288424 326341566 /nfs/dbraw/zinc/34/15/66/326341566.db2.gz MTCFUFCYVBAYIV-GFCCVEGCSA-N 2 1 221.348 2.083 20 0 BEADMP Cc1cccc2c1cc[nH+]c2NCCCC[NH3+] ZINC000568393532 326353603 /nfs/dbraw/zinc/35/36/03/326353603.db2.gz FOLZZUSHWDNUCW-UHFFFAOYSA-N 2 1 229.327 2.116 20 0 BEADMP CO[C@H]1C[C@@H]([N@@H+](C)CCCc2ccc(C)nc2)C1 ZINC000568682349 326372223 /nfs/dbraw/zinc/37/22/23/326372223.db2.gz VRKWYKHXLLBMNU-GASCZTMLSA-N 2 1 248.370 2.432 20 0 BEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1c(F)cccc1F ZINC000572951414 326420531 /nfs/dbraw/zinc/42/05/31/326420531.db2.gz OVWOQEQEKSFGKU-IUCAKERBSA-N 2 1 228.286 2.180 20 0 BEADMP C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000235481480 487972583 /nfs/dbraw/zinc/97/25/83/487972583.db2.gz TVEAZFYCWFVUOJ-YPMHNXCESA-N 2 1 238.400 2.411 20 0 BEADMP Cn1cncc1CCC[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000653625937 487995174 /nfs/dbraw/zinc/99/51/74/487995174.db2.gz YBDIMSUEEJZTGS-JSGCOSHPSA-N 2 1 233.359 2.227 20 0 BEADMP Cc1ccc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)s1 ZINC000309636517 488004365 /nfs/dbraw/zinc/00/43/65/488004365.db2.gz MSMVTDNRZZZNEO-NSHDSACASA-N 2 1 224.373 2.098 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC2=CCCC2)CC[N@H+]1C ZINC000401173886 488018113 /nfs/dbraw/zinc/01/81/13/488018113.db2.gz UWKIDIDXDNCMFL-YPMHNXCESA-N 2 1 208.349 2.169 20 0 BEADMP CC[C@@H]1C[N@@H+](CCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000147493640 488029480 /nfs/dbraw/zinc/02/94/80/488029480.db2.gz NKLWUJXOMGINSY-HIFRSBDPSA-N 2 1 248.370 2.125 20 0 BEADMP CC[C@H]1C[N@@H+](CCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000147493839 488029410 /nfs/dbraw/zinc/02/94/10/488029410.db2.gz NKLWUJXOMGINSY-ZFWWWQNUSA-N 2 1 248.370 2.125 20 0 BEADMP C[C@H](Cc1ccccc1F)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663499950 488049877 /nfs/dbraw/zinc/04/98/77/488049877.db2.gz HBYFRSNAVPSBTC-XIKARTHZSA-N 2 1 248.345 2.098 20 0 BEADMP Cc1ncc(C[N@H+]2C[C@@H](C)CC[C@H]2C)n1C ZINC000667650366 488072913 /nfs/dbraw/zinc/07/29/13/488072913.db2.gz VRLAMHKETDPMAM-WDEREUQCSA-N 2 1 221.348 2.349 20 0 BEADMP C([NH2+]C1CCCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000040397410 488078006 /nfs/dbraw/zinc/07/80/06/488078006.db2.gz CRWKVGHJRATLFN-ZDUSSCGKSA-N 2 1 210.365 2.441 20 0 BEADMP C1CC1[NH+]1CCC([NH2+][C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000668667688 488083654 /nfs/dbraw/zinc/08/36/54/488083654.db2.gz DVZPDZKYQMDQNY-WDNDVIMCSA-N 2 1 220.360 2.001 20 0 BEADMP C1CC1[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000668667687 488083958 /nfs/dbraw/zinc/08/39/58/488083958.db2.gz DVZPDZKYQMDQNY-BTTYYORXSA-N 2 1 220.360 2.001 20 0 BEADMP Fc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257701796 488084536 /nfs/dbraw/zinc/08/45/36/488084536.db2.gz QGEZARGJOMIGLK-HNNXBMFYSA-N 2 1 248.345 2.401 20 0 BEADMP Fc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257701796 488084544 /nfs/dbraw/zinc/08/45/44/488084544.db2.gz QGEZARGJOMIGLK-HNNXBMFYSA-N 2 1 248.345 2.401 20 0 BEADMP Fc1ccccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257701797 488084366 /nfs/dbraw/zinc/08/43/66/488084366.db2.gz QGEZARGJOMIGLK-OAHLLOKOSA-N 2 1 248.345 2.401 20 0 BEADMP Fc1ccccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257701797 488084372 /nfs/dbraw/zinc/08/43/72/488084372.db2.gz QGEZARGJOMIGLK-OAHLLOKOSA-N 2 1 248.345 2.401 20 0 BEADMP C(CC1CC[NH2+]CC1)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000159948842 488094055 /nfs/dbraw/zinc/09/40/55/488094055.db2.gz BQXYXQKWAFRBMN-GASCZTMLSA-N 2 1 236.403 2.498 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000378921941 488111088 /nfs/dbraw/zinc/11/10/88/488111088.db2.gz CZMQAOFYGGDZAA-YIYPIFLZSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000378921941 488111090 /nfs/dbraw/zinc/11/10/90/488111090.db2.gz CZMQAOFYGGDZAA-YIYPIFLZSA-N 2 1 224.392 2.495 20 0 BEADMP C[N@@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)C1CC[NH2+]CC1 ZINC000403171512 488116574 /nfs/dbraw/zinc/11/65/74/488116574.db2.gz KMMKHNHDXOKLKH-FRRDWIJNSA-N 2 1 222.376 2.106 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000151104156 488117791 /nfs/dbraw/zinc/11/77/91/488117791.db2.gz YAWJHERVWZOXEW-GFCCVEGCSA-N 2 1 236.403 2.497 20 0 BEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000683141899 488117704 /nfs/dbraw/zinc/11/77/04/488117704.db2.gz QAKPILZOQIIMBI-LLVKDONJSA-N 2 1 234.334 2.305 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C(F)F)C1 ZINC000683141899 488117709 /nfs/dbraw/zinc/11/77/09/488117709.db2.gz QAKPILZOQIIMBI-LLVKDONJSA-N 2 1 234.334 2.305 20 0 BEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C(F)F)C1 ZINC000683141901 488118440 /nfs/dbraw/zinc/11/84/40/488118440.db2.gz QAKPILZOQIIMBI-NSHDSACASA-N 2 1 234.334 2.305 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C(F)F)C1 ZINC000683141901 488118443 /nfs/dbraw/zinc/11/84/43/488118443.db2.gz QAKPILZOQIIMBI-NSHDSACASA-N 2 1 234.334 2.305 20 0 BEADMP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000403587560 488127334 /nfs/dbraw/zinc/12/73/34/488127334.db2.gz DFLNRESMCIUZQB-BARDWOONSA-N 2 1 234.387 2.108 20 0 BEADMP Cc1occc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000321146694 488129111 /nfs/dbraw/zinc/12/91/11/488129111.db2.gz YXMUIQAMDBOUKO-CYBMUJFWSA-N 2 1 236.359 2.408 20 0 BEADMP Cc1occc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000321146694 488129119 /nfs/dbraw/zinc/12/91/19/488129119.db2.gz YXMUIQAMDBOUKO-CYBMUJFWSA-N 2 1 236.359 2.408 20 0 BEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC[C@@H]1[NH3+] ZINC000403627710 488129158 /nfs/dbraw/zinc/12/91/58/488129158.db2.gz MITJONIZFSLLQQ-ZSAUSMIDSA-N 2 1 236.403 2.482 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000403654983 488131392 /nfs/dbraw/zinc/13/13/92/488131392.db2.gz RXPOMIZSFDVFMP-QMIVOQANSA-N 2 1 234.387 2.249 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000403654983 488131397 /nfs/dbraw/zinc/13/13/97/488131397.db2.gz RXPOMIZSFDVFMP-QMIVOQANSA-N 2 1 234.387 2.249 20 0 BEADMP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403696244 488132649 /nfs/dbraw/zinc/13/26/49/488132649.db2.gz BDYJCSMDKVZUFZ-RQJABVFESA-N 2 1 224.392 2.386 20 0 BEADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000086726786 487538322 /nfs/dbraw/zinc/53/83/22/487538322.db2.gz DGOOAVCVCZHRHL-GXFFZTMASA-N 2 1 238.762 2.223 20 0 BEADMP CC[C@@H](C[NH2+][C@@H](C)C[NH2+]C)c1ccccc1 ZINC000162108777 487538971 /nfs/dbraw/zinc/53/89/71/487538971.db2.gz OVJDIKIKMNPSDQ-STQMWFEESA-N 2 1 220.360 2.378 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000382102335 487531426 /nfs/dbraw/zinc/53/14/26/487531426.db2.gz HBHQISNRUMLMLV-CRWXNKLISA-N 2 1 222.376 2.106 20 0 BEADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@@H]1C[C@@H]1C ZINC000668747299 487473341 /nfs/dbraw/zinc/47/33/41/487473341.db2.gz GBKZHNGHANRMFG-RYUDHWBXSA-N 2 1 212.381 2.352 20 0 BEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@@H]1C[C@@H]1C ZINC000668747299 487473342 /nfs/dbraw/zinc/47/33/42/487473342.db2.gz GBKZHNGHANRMFG-RYUDHWBXSA-N 2 1 212.381 2.352 20 0 BEADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)CCC(C)(C)C ZINC000258883563 488141824 /nfs/dbraw/zinc/14/18/24/488141824.db2.gz BXVXLYGEXDEASA-GFCCVEGCSA-N 2 1 212.381 2.354 20 0 BEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC(C)(C)C1CC1 ZINC000405967615 487495803 /nfs/dbraw/zinc/49/58/03/487495803.db2.gz SGUILRAHMAVFPG-VXGBXAGGSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCC(C)(C)C1CC1 ZINC000405954966 487497177 /nfs/dbraw/zinc/49/71/77/487497177.db2.gz JPALWQQSRGDZDU-JQWIXIFHSA-N 2 1 210.365 2.234 20 0 BEADMP C[C@@H]1C[N@@H+](CCC(C)(C)C2CC2)C[C@H]1[NH3+] ZINC000405955624 487497479 /nfs/dbraw/zinc/49/74/79/487497479.db2.gz KGCOENBVLGRLOC-ZYHUDNBSSA-N 2 1 210.365 2.092 20 0 BEADMP CC(C)CC[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000300056255 487499168 /nfs/dbraw/zinc/49/91/68/487499168.db2.gz OLWLZWUYGMVJAW-QWHCGFSZSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]([NH2+]C1(C(F)F)CC1)C1CC[NH+](C)CC1 ZINC000381322766 487505640 /nfs/dbraw/zinc/50/56/40/487505640.db2.gz PNVVFFQETYAZMJ-SECBINFHSA-N 2 1 232.318 2.104 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000304562954 487511776 /nfs/dbraw/zinc/51/17/76/487511776.db2.gz LOBJZUAVAZXHEG-YIYPIFLZSA-N 2 1 222.376 2.106 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000304651518 487513641 /nfs/dbraw/zinc/51/36/41/487513641.db2.gz YLQRBOCSRYDTKP-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000304651518 487513644 /nfs/dbraw/zinc/51/36/44/487513644.db2.gz YLQRBOCSRYDTKP-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC000334844117 487572178 /nfs/dbraw/zinc/57/21/78/487572178.db2.gz GFLJWJNGHKRSEP-QWRGUYRKSA-N 2 1 240.297 2.324 20 0 BEADMP Cc1cccc2ncc(C[N@H+]3CC[C@@H]4C[C@@H]4C3)n21 ZINC000668675892 488095662 /nfs/dbraw/zinc/09/56/62/488095662.db2.gz ILVBSSILVDLWPN-CHWSQXEVSA-N 2 1 241.338 2.485 20 0 BEADMP C[C@H](Cc1cccs1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000235461869 488136691 /nfs/dbraw/zinc/13/66/91/488136691.db2.gz JAHBPOIVHAGJCR-NEPJUHHUSA-N 2 1 238.400 2.411 20 0 BEADMP c1nc2n(c1C[N@H+]1CCCC3(CC3)C1)CCC2 ZINC000667998842 488179152 /nfs/dbraw/zinc/17/91/52/488179152.db2.gz LACWUHOAQPUCNL-UHFFFAOYSA-N 2 1 231.343 2.205 20 0 BEADMP Cc1cc(NC[C@@H]2CC[N@H+]2C(C)(C)C)cc[nH+]1 ZINC000664142850 488185742 /nfs/dbraw/zinc/18/57/42/488185742.db2.gz NUAFEYOLKDXRMB-ZDUSSCGKSA-N 2 1 233.359 2.097 20 0 BEADMP C[C@H](CCC1CC1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000398109427 488211331 /nfs/dbraw/zinc/21/13/31/488211331.db2.gz WTLQOFJIVZDXAG-DGCLKSJQSA-N 2 1 210.365 2.297 20 0 BEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCC1CCC1 ZINC000398626329 488220779 /nfs/dbraw/zinc/22/07/79/488220779.db2.gz HXPHVHJFWXJSAG-ZDUSSCGKSA-N 2 1 210.365 2.380 20 0 BEADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC2CCC2)C[C@H]1C[NH3+] ZINC000398899104 488225424 /nfs/dbraw/zinc/22/54/24/488225424.db2.gz HDQKYRDYWUNLJW-YRGRVCCFSA-N 2 1 224.392 2.482 20 0 BEADMP c1c[nH+]c(N2CC[NH+](CCC3CCCC3)CC2)[nH]1 ZINC000683895276 488238073 /nfs/dbraw/zinc/23/80/73/488238073.db2.gz MADATBXWBZJRDJ-UHFFFAOYSA-N 2 1 248.374 2.112 20 0 BEADMP CCc1cccc(F)c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000684361389 488300646 /nfs/dbraw/zinc/30/06/46/488300646.db2.gz DQAQURHUZIJRFF-STQMWFEESA-N 2 1 248.345 2.039 20 0 BEADMP CCC1([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCOCC1 ZINC000679152023 488313586 /nfs/dbraw/zinc/31/35/86/488313586.db2.gz XPBSZAUGHZZREQ-CHWSQXEVSA-N 2 1 240.391 2.018 20 0 BEADMP CCC1([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCOCC1 ZINC000679152023 488313587 /nfs/dbraw/zinc/31/35/87/488313587.db2.gz XPBSZAUGHZZREQ-CHWSQXEVSA-N 2 1 240.391 2.018 20 0 BEADMP C(=C\C[N@@H+]1CC=CCC1)\C[NH+]1CC=CCC1 ZINC000679322270 490112771 /nfs/dbraw/zinc/11/27/71/490112771.db2.gz YIXYOJUFEHVRFK-FPLPWBNLSA-N 2 1 218.344 2.066 20 0 BEADMP Cc1cccc(C[NH2+]CCc2c[nH+]cn2C)c1 ZINC000401754075 490133386 /nfs/dbraw/zinc/13/33/86/490133386.db2.gz PSZLMSLKSNNBLT-UHFFFAOYSA-N 2 1 229.327 2.061 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1C ZINC000252688237 490198310 /nfs/dbraw/zinc/19/83/10/490198310.db2.gz NPWDWYQKWPHRBG-OCCSQVGLSA-N 2 1 248.370 2.315 20 0 BEADMP COc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1C ZINC000084574678 490230363 /nfs/dbraw/zinc/23/03/63/490230363.db2.gz XNIYBJYXNLJPEA-UHFFFAOYSA-N 2 1 248.370 2.187 20 0 BEADMP Cc1cncc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277345076 490293078 /nfs/dbraw/zinc/29/30/78/490293078.db2.gz WJCGPCZDCDDJPG-OAHLLOKOSA-N 2 1 247.386 2.306 20 0 BEADMP Cc1cncc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277345076 490293084 /nfs/dbraw/zinc/29/30/84/490293084.db2.gz WJCGPCZDCDDJPG-OAHLLOKOSA-N 2 1 247.386 2.306 20 0 BEADMP Cc1c[nH+]ccc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000070047293 491117613 /nfs/dbraw/zinc/11/76/13/491117613.db2.gz VNDVFXAAEZWMMH-NSHDSACASA-N 2 1 217.316 2.039 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2CC2)[C@H](C)C1 ZINC000090118305 491123015 /nfs/dbraw/zinc/12/30/15/491123015.db2.gz SVFYJPMEJDTZRF-DGCLKSJQSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCCc2cccnc21 ZINC000091661372 491131311 /nfs/dbraw/zinc/13/13/11/491131311.db2.gz NXTTUVKXLPTAPV-JSGCOSHPSA-N 2 1 247.386 2.389 20 0 BEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CSC2)C1 ZINC000309783640 491156449 /nfs/dbraw/zinc/15/64/49/491156449.db2.gz NLLAXCCZDAWYJU-GFCCVEGCSA-N 2 1 242.432 2.204 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000488443249 533728927 /nfs/dbraw/zinc/72/89/27/533728927.db2.gz GIEADNHWCORHJV-YUELXQCFSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000488443249 533728940 /nfs/dbraw/zinc/72/89/40/533728940.db2.gz GIEADNHWCORHJV-YUELXQCFSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@@H](C)C[N@@H+](CC)CC[C@H]1CC[NH2+]C1 ZINC000251857880 535509090 /nfs/dbraw/zinc/50/90/90/535509090.db2.gz OALCMGZWMITPMO-CHWSQXEVSA-N 2 1 212.381 2.354 20 0 BEADMP C[C@H]([NH2+]CCOC1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000400725159 533859493 /nfs/dbraw/zinc/85/94/93/533859493.db2.gz PEEICWPWVONAFS-JSGCOSHPSA-N 2 1 240.391 2.066 20 0 BEADMP CC[C@@H](COC)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000079706457 535761522 /nfs/dbraw/zinc/76/15/22/535761522.db2.gz LUMXGLFRGMPURO-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CCc2c[nH+]cn2C)[C@H](C)C1 ZINC000401729730 534256698 /nfs/dbraw/zinc/25/66/98/534256698.db2.gz AUIOTEAZEZMGES-BZPMIXESSA-N 2 1 235.375 2.377 20 0 BEADMP CCc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261587431 536180412 /nfs/dbraw/zinc/18/04/12/536180412.db2.gz VBPDECJCQVLOEJ-ARFHVFGLSA-N 2 1 244.382 2.418 20 0 BEADMP Cc1cccc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000400811997 534696193 /nfs/dbraw/zinc/69/61/93/534696193.db2.gz YSJXEKVUSFIBPO-HIFRSBDPSA-N 2 1 232.371 2.268 20 0 BEADMP Cc1cccc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000400811998 534695459 /nfs/dbraw/zinc/69/54/59/534695459.db2.gz YSJXEKVUSFIBPO-UKRRQHHQSA-N 2 1 232.371 2.268 20 0 BEADMP CC(C)(C)CCC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000300840081 527661584 /nfs/dbraw/zinc/66/15/84/527661584.db2.gz JPHBAIXJBMHJMH-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)(C)CCC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000300840081 527661587 /nfs/dbraw/zinc/66/15/87/527661587.db2.gz JPHBAIXJBMHJMH-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@@H]2C)[C@@H](C)C1 ZINC000488311712 527830798 /nfs/dbraw/zinc/83/07/98/527830798.db2.gz JUGZDWNKHNVVDO-XUXIUFHCSA-N 2 1 224.392 2.305 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2C[C@@H]2C)[C@@H](C)C1 ZINC000488311712 527830800 /nfs/dbraw/zinc/83/08/00/527830800.db2.gz JUGZDWNKHNVVDO-XUXIUFHCSA-N 2 1 224.392 2.305 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2C[C@@H]2C)[C@@H](C)C1 ZINC000488311712 527830803 /nfs/dbraw/zinc/83/08/03/527830803.db2.gz JUGZDWNKHNVVDO-XUXIUFHCSA-N 2 1 224.392 2.305 20 0 BEADMP CCC(C)(C)OCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000308715881 528592638 /nfs/dbraw/zinc/59/26/38/528592638.db2.gz BDQPBCKLVUCEBI-OLZOCXBDSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@H](C)C1 ZINC000309072615 528829262 /nfs/dbraw/zinc/82/92/62/528829262.db2.gz GFJVJBADYYYHHX-XQQFMLRXSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@H](C)C1 ZINC000309072615 528829265 /nfs/dbraw/zinc/82/92/65/528829265.db2.gz GFJVJBADYYYHHX-XQQFMLRXSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1C[C@@H](C)[C@@H]1C ZINC000308847323 528832386 /nfs/dbraw/zinc/83/23/86/528832386.db2.gz MUTFPVFMKOZGGM-VOAKCMCISA-N 2 1 212.381 2.349 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1C[C@@H](C)[C@@H]1C ZINC000308847323 528832393 /nfs/dbraw/zinc/83/23/93/528832393.db2.gz MUTFPVFMKOZGGM-VOAKCMCISA-N 2 1 212.381 2.349 20 0 BEADMP CC[NH+]1CCC([N@H+](C)C[C@H]2C[C@H]2C)CC1 ZINC000488352572 528972285 /nfs/dbraw/zinc/97/22/85/528972285.db2.gz OMOWHIYRHSLJOI-VXGBXAGGSA-N 2 1 210.365 2.059 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2C[C@H]2C)CC1 ZINC000488352572 528972289 /nfs/dbraw/zinc/97/22/89/528972289.db2.gz OMOWHIYRHSLJOI-VXGBXAGGSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2C[C@@H]2C)CC1 ZINC000488354937 528990745 /nfs/dbraw/zinc/99/07/45/528990745.db2.gz WYFWKMZAESQJGI-STQMWFEESA-N 2 1 224.392 2.447 20 0 BEADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1CC1(C)C ZINC000401671998 529170818 /nfs/dbraw/zinc/17/08/18/529170818.db2.gz LZDLJGUGAJEWSE-QWHCGFSZSA-N 2 1 235.375 2.377 20 0 BEADMP CC(C)OCCC[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000348205866 535325057 /nfs/dbraw/zinc/32/50/57/535325057.db2.gz ZFFIWPZNAASUGD-CQSZACIVSA-N 2 1 242.407 2.218 20 0 BEADMP CC(C)OCCC[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000348205866 535325060 /nfs/dbraw/zinc/32/50/60/535325060.db2.gz ZFFIWPZNAASUGD-CQSZACIVSA-N 2 1 242.407 2.218 20 0 BEADMP CC(C)OCCC[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000348205866 535325062 /nfs/dbraw/zinc/32/50/62/535325062.db2.gz ZFFIWPZNAASUGD-CQSZACIVSA-N 2 1 242.407 2.218 20 0 BEADMP CC(C)C[C@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261687662 535327135 /nfs/dbraw/zinc/32/71/35/535327135.db2.gz ASIQRXNYXNVFDM-KGLIPLIRSA-N 2 1 224.392 2.497 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000261554485 535351308 /nfs/dbraw/zinc/35/13/08/535351308.db2.gz UGIBISMUQVEHSQ-VXGBXAGGSA-N 2 1 212.381 2.482 20 0 BEADMP CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000261563261 535411354 /nfs/dbraw/zinc/41/13/54/535411354.db2.gz WWNIUKMBJZUMLE-LLVKDONJSA-N 2 1 236.359 2.473 20 0 BEADMP CC[NH+]1CCC([N@H+](C)CC[C@H](C)F)CC1 ZINC000352001199 535457590 /nfs/dbraw/zinc/45/75/90/535457590.db2.gz AADBTGSURZICCJ-NSHDSACASA-N 2 1 216.344 2.151 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)CC[C@H](C)F)CC1 ZINC000352001199 535457591 /nfs/dbraw/zinc/45/75/91/535457591.db2.gz AADBTGSURZICCJ-NSHDSACASA-N 2 1 216.344 2.151 20 0 BEADMP CC[C@@H](C)C[N@@H+](CC)C[C@H]1CCC[NH2+]C1 ZINC000251844465 535509218 /nfs/dbraw/zinc/50/92/18/535509218.db2.gz LYOJSVUYWGMXOV-OLZOCXBDSA-N 2 1 212.381 2.354 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccs2)C1 ZINC000179632627 535964486 /nfs/dbraw/zinc/96/44/86/535964486.db2.gz BSJGXMHTMAQUBA-LLVKDONJSA-N 2 1 224.373 2.132 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccs2)C1 ZINC000179632627 535964490 /nfs/dbraw/zinc/96/44/90/535964490.db2.gz BSJGXMHTMAQUBA-LLVKDONJSA-N 2 1 224.373 2.132 20 0 BEADMP CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000070643032 536092478 /nfs/dbraw/zinc/09/24/78/536092478.db2.gz XSMQHIPNBGAFGC-WCQYABFASA-N 2 1 210.365 2.249 20 0 BEADMP C[NH+](C)C1(C[NH2+]C[C@H]2CCSC2)CCCC1 ZINC000224457139 536113947 /nfs/dbraw/zinc/11/39/47/536113947.db2.gz HMZBLBGLEVSNDE-GFCCVEGCSA-N 2 1 242.432 2.204 20 0 BEADMP CCc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)nc(C)[nH+]1 ZINC000226880848 536153136 /nfs/dbraw/zinc/15/31/36/536153136.db2.gz OCFSOXIRBVNIOY-GWCFXTLKSA-N 2 1 248.374 2.242 20 0 BEADMP CCc1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)nc(C)[nH+]1 ZINC000226880848 536153139 /nfs/dbraw/zinc/15/31/39/536153139.db2.gz OCFSOXIRBVNIOY-GWCFXTLKSA-N 2 1 248.374 2.242 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000335658335 536344523 /nfs/dbraw/zinc/34/45/23/536344523.db2.gz UWOVPTOIIGGBRF-CYBMUJFWSA-N 2 1 222.376 2.393 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](C2CC2)C1 ZINC000348072815 536370502 /nfs/dbraw/zinc/37/05/02/536370502.db2.gz KVDDBXDTMMDJRG-ZIAGYGMSSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000348072815 536370503 /nfs/dbraw/zinc/37/05/03/536370503.db2.gz KVDDBXDTMMDJRG-ZIAGYGMSSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](C2CC2)C1 ZINC000348072815 536370505 /nfs/dbraw/zinc/37/05/05/536370505.db2.gz KVDDBXDTMMDJRG-ZIAGYGMSSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853240264 588728252 /nfs/dbraw/zinc/72/82/52/588728252.db2.gz OFXGKLOJWMOKPI-YUELXQCFSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853240262 588728304 /nfs/dbraw/zinc/72/83/04/588728304.db2.gz OFXGKLOJWMOKPI-SNPRPXQTSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H](CSC(C)(C)C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000854226246 588780694 /nfs/dbraw/zinc/78/06/94/588780694.db2.gz GEJGLJPMOSUTER-XSRFYTQQSA-N 2 1 242.432 2.248 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CSC(C)(C)C ZINC000854231654 588781527 /nfs/dbraw/zinc/78/15/27/588781527.db2.gz ISPWYRBHXJCSSY-UWVGGRQHSA-N 2 1 218.410 2.104 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000348089608 582495769 /nfs/dbraw/zinc/49/57/69/582495769.db2.gz UBUDWFOKDOFFKN-BPLDGKMQSA-N 2 1 236.403 2.497 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CCCC2(C)C)CC1 ZINC000891870243 582732311 /nfs/dbraw/zinc/73/23/11/582732311.db2.gz QFOZTPURMOYAPV-UHFFFAOYSA-N 2 1 210.365 2.203 20 0 BEADMP CCCSC[C@H](C)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000892628413 582933418 /nfs/dbraw/zinc/93/34/18/582933418.db2.gz LDBCTWJZFXNMKX-WCQYABFASA-N 2 1 244.448 2.448 20 0 BEADMP C[C@H]1CSCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000894009019 583269966 /nfs/dbraw/zinc/26/99/66/583269966.db2.gz JSIULDSUBAHDJG-GFCCVEGCSA-N 2 1 242.432 2.013 20 0 BEADMP C[C@H]1[C@@H](C)[N@H+](CC2CC[NH+](C)CC2)C[C@H]1C ZINC000894959558 583559322 /nfs/dbraw/zinc/55/93/22/583559322.db2.gz YIRCEFYWDLFQIZ-JHJVBQTASA-N 2 1 224.392 2.305 20 0 BEADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cnccn1 ZINC000894968896 583560420 /nfs/dbraw/zinc/56/04/20/583560420.db2.gz ZMGDRDMMKXIBBU-GFCCVEGCSA-N 2 1 248.374 2.002 20 0 BEADMP C[C@@H](CC[NH2+]Cc1ccc(Cl)nc1)[NH+](C)C ZINC000895297787 583640327 /nfs/dbraw/zinc/64/03/27/583640327.db2.gz PIENPYYFJSZINR-JTQLQIEISA-N 2 1 241.766 2.165 20 0 BEADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000335912689 583790315 /nfs/dbraw/zinc/79/03/15/583790315.db2.gz SAPBBMBAMXBZRQ-QWHCGFSZSA-N 2 1 210.365 2.105 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C=CCC2)CC1(C)C ZINC000858189903 588937977 /nfs/dbraw/zinc/93/79/77/588937977.db2.gz YXLBHGNGOSXQOE-NEPJUHHUSA-N 2 1 208.349 2.167 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)C2CC2)CC[N@H+]1C ZINC000897437952 583983614 /nfs/dbraw/zinc/98/36/14/583983614.db2.gz QEFXKVLKTQNATL-WCQYABFASA-N 2 1 224.392 2.495 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CCC[C@H]23)[C@@H](C)C1 ZINC000897955918 584065627 /nfs/dbraw/zinc/06/56/27/584065627.db2.gz YZUXVYCFHVOUNC-YYFQZIEXSA-N 2 1 236.403 2.495 20 0 BEADMP C1CC1[NH+]1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H]32)CC1 ZINC000897957072 584066050 /nfs/dbraw/zinc/06/60/50/584066050.db2.gz BCSCTZCSURPQEO-BYCMXARLSA-N 2 1 234.387 2.391 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H](c2ccncc2)C2CC2)CC1 ZINC000898321744 584106878 /nfs/dbraw/zinc/10/68/78/584106878.db2.gz COISOKVELNKSKB-OAHLLOKOSA-N 2 1 245.370 2.217 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@H+](C)C[C@H]1CCC=CO1 ZINC000898308245 584109640 /nfs/dbraw/zinc/10/96/40/584109640.db2.gz UXYYUPFZQYEESZ-CYBMUJFWSA-N 2 1 240.391 2.199 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@@H+](C)C[C@H]1CCC=CO1 ZINC000898308245 584109642 /nfs/dbraw/zinc/10/96/42/584109642.db2.gz UXYYUPFZQYEESZ-CYBMUJFWSA-N 2 1 240.391 2.199 20 0 BEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000858490873 588960336 /nfs/dbraw/zinc/96/03/36/588960336.db2.gz RILDURTXFMOXBB-YUELXQCFSA-N 2 1 236.403 2.497 20 0 BEADMP CCNc1ccccc1CNC[C@@H]1CCC[N@@H+]1C ZINC000902104279 584523970 /nfs/dbraw/zinc/52/39/70/584523970.db2.gz ODCAXXUDEKQWDV-AWEZNQCLSA-N 2 1 247.386 2.302 20 0 BEADMP CCNc1ccccc1CNC[C@@H]1CCC[N@H+]1C ZINC000902104279 584523971 /nfs/dbraw/zinc/52/39/71/584523971.db2.gz ODCAXXUDEKQWDV-AWEZNQCLSA-N 2 1 247.386 2.302 20 0 BEADMP [NH3+]C1(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000902406572 584574260 /nfs/dbraw/zinc/57/42/60/584574260.db2.gz OFTXRQSUJDCVFJ-KGLIPLIRSA-N 2 1 230.355 2.404 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC2([NH3+])CC2)c2ccccc21 ZINC000902404192 584588769 /nfs/dbraw/zinc/58/87/69/584588769.db2.gz CPQDXGUAQGMDNQ-MFKMUULPSA-N 2 1 216.328 2.316 20 0 BEADMP Cc1cccc([C@@H](C)[NH2+]CC2([NH3+])CC2)c1C ZINC000902415504 584589593 /nfs/dbraw/zinc/58/95/93/584589593.db2.gz GPXFGFJEXNENJB-GFCCVEGCSA-N 2 1 218.344 2.445 20 0 BEADMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1cccc(Cl)c1 ZINC000902415464 584589953 /nfs/dbraw/zinc/58/99/53/584589953.db2.gz OQUSWMGOTXQJBM-SECBINFHSA-N 2 1 224.735 2.482 20 0 BEADMP [NH3+]C1(C[NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000902416336 584590728 /nfs/dbraw/zinc/59/07/28/584590728.db2.gz NAZARGGPRCXOEQ-GFCCVEGCSA-N 2 1 236.746 2.408 20 0 BEADMP Cc1ccsc1[C@@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902417579 584590990 /nfs/dbraw/zinc/59/09/90/584590990.db2.gz TZLSKLNUGSTMSK-SECBINFHSA-N 2 1 210.346 2.198 20 0 BEADMP CCOc1cccc([C@@H](C)[NH2+]CC2([NH3+])CC2)c1 ZINC000902418824 584591869 /nfs/dbraw/zinc/59/18/69/584591869.db2.gz ZNPVMJMLUWJCLC-LLVKDONJSA-N 2 1 234.343 2.227 20 0 BEADMP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000902413839 584599800 /nfs/dbraw/zinc/59/98/00/584599800.db2.gz ORDBVXTUJOEQID-LSDHHAIUSA-N 2 1 244.382 2.479 20 0 BEADMP Cc1cccc(C[C@@H]([NH2+]CC2([NH3+])CC2)C2CC2)c1 ZINC000902414625 584600236 /nfs/dbraw/zinc/60/02/36/584600236.db2.gz YRMFFAQOPGBVDT-OAHLLOKOSA-N 2 1 244.382 2.397 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902414465 584600455 /nfs/dbraw/zinc/60/04/55/584600455.db2.gz BDUXPXZYTPELCH-LLVKDONJSA-N 2 1 204.317 2.137 20 0 BEADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC1([NH3+])CC1 ZINC000902415015 584601025 /nfs/dbraw/zinc/60/10/25/584601025.db2.gz JMJJBBQGMDGIJF-CQSZACIVSA-N 2 1 246.354 2.154 20 0 BEADMP c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)C2 ZINC000902473463 584602005 /nfs/dbraw/zinc/60/20/05/584602005.db2.gz ZJYRYKHDEQEGSR-LVQVYYBASA-N 2 1 242.366 2.026 20 0 BEADMP CC(C)C1CC([NH2+][C@@H]2C[NH2+]CC2(C)C)C1 ZINC000902447591 584604780 /nfs/dbraw/zinc/60/47/80/584604780.db2.gz ZXQAFPKHYLYNFI-HTAVTVPLSA-N 2 1 210.365 2.009 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902448365 584605281 /nfs/dbraw/zinc/60/52/81/584605281.db2.gz ZTPDAMRZIANBNI-OFIBSPLFSA-N 2 1 240.416 2.143 20 0 BEADMP C[C@@H](CSC(C)(C)C)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902448764 584605735 /nfs/dbraw/zinc/60/57/35/584605735.db2.gz IWIDSZTUARJVOM-QWRGUYRKSA-N 2 1 244.448 2.494 20 0 BEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCC(C)(C)O1 ZINC000902462671 584612028 /nfs/dbraw/zinc/61/20/28/584612028.db2.gz XEOPIYGCJZDHKA-VXGBXAGGSA-N 2 1 240.391 2.064 20 0 BEADMP CCNc1ccccc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000902572409 584636871 /nfs/dbraw/zinc/63/68/71/584636871.db2.gz SYILZBZCOJYTEQ-CYBMUJFWSA-N 2 1 249.402 2.406 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000902796982 584674687 /nfs/dbraw/zinc/67/46/87/584674687.db2.gz SARCGRACNOVHRP-MGPQQGTHSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903079324 584724611 /nfs/dbraw/zinc/72/46/11/584724611.db2.gz LXSOTDNWKYVAEN-IZQGUMMNSA-N 2 1 234.387 2.390 20 0 BEADMP C1=C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903199672 584734799 /nfs/dbraw/zinc/73/47/99/584734799.db2.gz LSYGVCMARNSSBH-YPRXJGMQSA-N 2 1 232.371 2.452 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000903427275 584760966 /nfs/dbraw/zinc/76/09/66/584760966.db2.gz ULAYWIJGKMTJJS-IPYPFGDCSA-N 2 1 244.382 2.461 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)CC[C@H]1[NH3+] ZINC000903425252 584761132 /nfs/dbraw/zinc/76/11/32/584761132.db2.gz YNMIEXWSIYVZSE-BXUZGUMPSA-N 2 1 243.354 2.337 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H]1C(C)(C)C ZINC000903435083 584761974 /nfs/dbraw/zinc/76/19/74/584761974.db2.gz NFUVHSAHIXMKSG-AGIUHOORSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCc2ccccc2[C@H]1C ZINC000903434868 584762090 /nfs/dbraw/zinc/76/20/90/584762090.db2.gz LVQGWFVZZYXVEW-NFAWXSAZSA-N 2 1 244.382 2.461 20 0 BEADMP COc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903459154 584766118 /nfs/dbraw/zinc/76/61/18/584766118.db2.gz QXCHMXXXENYEPZ-AGIUHOORSA-N 2 1 248.370 2.201 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000903453834 584772712 /nfs/dbraw/zinc/77/27/12/584772712.db2.gz NJEYFYSEIRDEMP-KBXIAJHMSA-N 2 1 236.403 2.354 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]2c2cccnc2)C1 ZINC000903454436 584773725 /nfs/dbraw/zinc/77/37/25/584773725.db2.gz CBZSBCUYMLQFMF-CFVMTHIKSA-N 2 1 245.370 2.346 20 0 BEADMP COc1cccc2c1C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903474017 584777022 /nfs/dbraw/zinc/77/70/22/584777022.db2.gz FHUMNLHQVAZKGJ-YPMHNXCESA-N 2 1 246.354 2.138 20 0 BEADMP C[NH2+]CCC[N@@H+](Cc1ccccn1)CC(C)C ZINC000903575028 584784125 /nfs/dbraw/zinc/78/41/25/584784125.db2.gz CMXMLEGUQGROHA-UHFFFAOYSA-N 2 1 235.375 2.149 20 0 BEADMP C[NH2+]CCC[N@H+](Cc1ccccn1)CC(C)C ZINC000903575028 584784127 /nfs/dbraw/zinc/78/41/27/584784127.db2.gz CMXMLEGUQGROHA-UHFFFAOYSA-N 2 1 235.375 2.149 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2CF)C1 ZINC000903716757 584791599 /nfs/dbraw/zinc/79/15/99/584791599.db2.gz RPWVINHITUHUTA-LBPRGKRZSA-N 2 1 236.334 2.197 20 0 BEADMP CCCC[N@@H+](CCOC)C[C@@H]1CCCC[NH2+]C1 ZINC000903729708 584792829 /nfs/dbraw/zinc/79/28/29/584792829.db2.gz QWPUYEXSNHXPGO-CQSZACIVSA-N 2 1 242.407 2.125 20 0 BEADMP CC1CC(C[N@H+]2CCC[C@@H](CC[NH3+])C2)C1 ZINC000903748030 584795126 /nfs/dbraw/zinc/79/51/26/584795126.db2.gz YCEFAPYQNSUMIJ-CPCZMJQVSA-N 2 1 210.365 2.093 20 0 BEADMP CC1CC(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)C1 ZINC000903752461 584795283 /nfs/dbraw/zinc/79/52/83/584795283.db2.gz SSGLFIPHTABYHI-WUCCLRPBSA-N 2 1 236.403 2.497 20 0 BEADMP FC1(F)C[C@]12CC[N@@H+](C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903768790 584798378 /nfs/dbraw/zinc/79/83/78/584798378.db2.gz QVVYUOSUXMZFHI-NEPJUHHUSA-N 2 1 244.329 2.107 20 0 BEADMP NC[C@]12CC[C@H]1CCC[N@H+]2CCc1ccccc1 ZINC000903795033 584799406 /nfs/dbraw/zinc/79/94/06/584799406.db2.gz HXXZJBYKJVMXCS-HZPDHXFCSA-N 2 1 244.382 2.432 20 0 BEADMP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2CCc1ccccc1 ZINC000903795033 584799408 /nfs/dbraw/zinc/79/94/08/584799408.db2.gz HXXZJBYKJVMXCS-HZPDHXFCSA-N 2 1 244.382 2.432 20 0 BEADMP C1=CC[C@@H]2C[N@H+](C[C@H]3CCCC[NH2+]C3)C[C@@H]2C1 ZINC000903778045 584799453 /nfs/dbraw/zinc/79/94/53/584799453.db2.gz JFYAOWZPFTYNKU-SOUVJXGZSA-N 2 1 234.387 2.274 20 0 BEADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCCF)CCC1 ZINC000903810301 584803690 /nfs/dbraw/zinc/80/36/90/584803690.db2.gz ADIUMQMVASQPIG-LBPRGKRZSA-N 2 1 228.355 2.330 20 0 BEADMP C[C@]12C[N@@H+](C[C@@H]3CCC[NH2+]C3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903827768 584805014 /nfs/dbraw/zinc/80/50/14/584805014.db2.gz WRIGUBBUYLXCDW-DGADGQDISA-N 2 1 248.414 2.354 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000903826870 584805054 /nfs/dbraw/zinc/80/50/54/584805054.db2.gz MAZJGIMVAWGKCT-XMEMRUQMSA-N 2 1 248.414 2.210 20 0 BEADMP FCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CC[NH2+]C1 ZINC000903831896 584806275 /nfs/dbraw/zinc/80/62/75/584806275.db2.gz MZTBQIPTSQFLHD-PBNFFQIGSA-N 2 1 240.366 2.199 20 0 BEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCCc1ccccc1 ZINC000903858696 584811034 /nfs/dbraw/zinc/81/10/34/584811034.db2.gz YEHWTIPMXIFRJD-CVEARBPZSA-N 2 1 244.382 2.432 20 0 BEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCCc1ccccc1 ZINC000903858696 584811035 /nfs/dbraw/zinc/81/10/35/584811035.db2.gz YEHWTIPMXIFRJD-CVEARBPZSA-N 2 1 244.382 2.432 20 0 BEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCc1cccs1 ZINC000903858801 584811158 /nfs/dbraw/zinc/81/11/58/584811158.db2.gz ZOTZZRRKSZGAOF-YPMHNXCESA-N 2 1 236.384 2.104 20 0 BEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCc1cccs1 ZINC000903858801 584811160 /nfs/dbraw/zinc/81/11/60/584811160.db2.gz ZOTZZRRKSZGAOF-YPMHNXCESA-N 2 1 236.384 2.104 20 0 BEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCCC1CCC1 ZINC000903860327 584811465 /nfs/dbraw/zinc/81/14/65/584811465.db2.gz QTPIKXDUYMRZEM-ZIAGYGMSSA-N 2 1 222.376 2.380 20 0 BEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCCC1CCC1 ZINC000903860327 584811467 /nfs/dbraw/zinc/81/14/67/584811467.db2.gz QTPIKXDUYMRZEM-ZIAGYGMSSA-N 2 1 222.376 2.380 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903872281 584815172 /nfs/dbraw/zinc/81/51/72/584815172.db2.gz YGSBZOAJFBGTFW-UONOGXRCSA-N 2 1 224.392 2.497 20 0 BEADMP CCC(C)(CC)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903897385 584819746 /nfs/dbraw/zinc/81/97/46/584819746.db2.gz CMJIEOIVHHQHQM-QMMMGPOBSA-N 2 1 208.296 2.137 20 0 BEADMP CC(C)([NH2+]C[C@H]([NH3+])CC(F)F)c1ccccc1 ZINC000903898979 584820307 /nfs/dbraw/zinc/82/03/07/584820307.db2.gz PYRQDOUAPFZTKZ-LLVKDONJSA-N 2 1 242.313 2.494 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]([NH3+])CC(F)F)[C@H]2CCCC[C@H]12 ZINC000903903513 584821298 /nfs/dbraw/zinc/82/12/98/584821298.db2.gz UXFQUUBPMLZLGQ-KKOKHZNYSA-N 2 1 246.345 2.479 20 0 BEADMP CC1(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000903960033 584827451 /nfs/dbraw/zinc/82/74/51/584827451.db2.gz VKOFIAMPJUBKKO-CQSZACIVSA-N 2 1 222.376 2.252 20 0 BEADMP Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903963850 584833591 /nfs/dbraw/zinc/83/35/91/584833591.db2.gz HMQDTGSPXJVCAQ-UMVBOHGHSA-N 2 1 232.371 2.124 20 0 BEADMP C[C@H](CCc1ccccc1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903964128 584834068 /nfs/dbraw/zinc/83/40/68/584834068.db2.gz MOEDAFLMDOBDCO-UMVBOHGHSA-N 2 1 232.371 2.205 20 0 BEADMP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@@H](C)c1ccccc1 ZINC000903965083 584834570 /nfs/dbraw/zinc/83/45/70/584834570.db2.gz ZOHQEOHGKYFVPN-RGCMKSIDSA-N 2 1 232.371 2.376 20 0 BEADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903965062 584834717 /nfs/dbraw/zinc/83/47/17/584834717.db2.gz YWBVLIOYSYGLDH-BPLDGKMQSA-N 2 1 232.371 2.205 20 0 BEADMP CC(C)C[C@H]([NH3+])C[NH2+]C(C)(C)/C=C/Cl ZINC000903987410 584836056 /nfs/dbraw/zinc/83/60/56/584836056.db2.gz GBHTVTLBOOAZRT-PORFMDCZSA-N 2 1 218.772 2.481 20 0 BEADMP C[C@@H]1c2ccccc2CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904317166 584864143 /nfs/dbraw/zinc/86/41/43/584864143.db2.gz CUIXBLSIQSFCJW-BZPMIXESSA-N 2 1 230.355 2.343 20 0 BEADMP COc1ccc(C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cc1C ZINC000904317399 584864369 /nfs/dbraw/zinc/86/43/69/584864369.db2.gz VSZSAWPVAGDVKA-OKILXGFUSA-N 2 1 248.370 2.173 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC3(CCCC3)C2)C1 ZINC000904341800 584867165 /nfs/dbraw/zinc/86/71/65/584867165.db2.gz WFLVGDONGDKGGG-BETUJISGSA-N 2 1 222.376 2.380 20 0 BEADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](N)CCC(C)(C)C ZINC000904354841 584871013 /nfs/dbraw/zinc/87/10/13/584871013.db2.gz JOXBXAPQGHUIRP-OLZOCXBDSA-N 2 1 243.439 2.247 20 0 BEADMP C[C@@H](Cc1ccccc1)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000904415830 584880278 /nfs/dbraw/zinc/88/02/78/584880278.db2.gz WXKOYBGDRLIFOZ-GZBFAFLISA-N 2 1 232.371 2.144 20 0 BEADMP Cc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1C ZINC000904421065 584881925 /nfs/dbraw/zinc/88/19/25/584881925.db2.gz NJUFVONDSNJQKJ-JKSUJKDBSA-N 2 1 244.382 2.345 20 0 BEADMP CCOc1cccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])c1 ZINC000817977571 584994077 /nfs/dbraw/zinc/99/40/77/584994077.db2.gz KTRWHKKLJSNFTQ-UTUOFQBUSA-N 2 1 236.359 2.472 20 0 BEADMP C[C@@H]1CC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000839183330 585096600 /nfs/dbraw/zinc/09/66/00/585096600.db2.gz WMLNHWITVFCXMH-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000839183333 585096796 /nfs/dbraw/zinc/09/67/96/585096796.db2.gz WMLNHWITVFCXMH-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@H]2CCc3ccccc32)CC1 ZINC000765904086 585493778 /nfs/dbraw/zinc/49/37/78/585493778.db2.gz JUKSWZKRWONDOI-CQSZACIVSA-N 2 1 244.382 2.400 20 0 BEADMP FC(F)C1CC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000768675895 585541566 /nfs/dbraw/zinc/54/15/66/585541566.db2.gz WXYOZPMIVMYVHX-WHXUTIOJSA-N 2 1 244.329 2.104 20 0 BEADMP COc1ccc(C[NH2+]C2CC[NH+](C)CC2)c(C)c1 ZINC000773050330 585630132 /nfs/dbraw/zinc/63/01/32/585630132.db2.gz HETNGDJYUOCVEF-UHFFFAOYSA-N 2 1 248.370 2.187 20 0 BEADMP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)CCO)CC(C)C ZINC000779344362 585752190 /nfs/dbraw/zinc/75/21/90/585752190.db2.gz XTOTUDAMITVFGS-UONOGXRCSA-N 2 1 244.423 2.103 20 0 BEADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CCO ZINC000779398044 585753321 /nfs/dbraw/zinc/75/33/21/585753321.db2.gz DDRSRRJEGHACGM-KBPBESRZSA-N 2 1 242.407 2.002 20 0 BEADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CCO ZINC000779398044 585753322 /nfs/dbraw/zinc/75/33/22/585753322.db2.gz DDRSRRJEGHACGM-KBPBESRZSA-N 2 1 242.407 2.002 20 0 BEADMP C[C@H](C1CC1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782183612 585810542 /nfs/dbraw/zinc/81/05/42/585810542.db2.gz NCXKZKJCAZZENP-LLVKDONJSA-N 2 1 210.365 2.059 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C2CC2)C1 ZINC000782191546 585811715 /nfs/dbraw/zinc/81/17/15/585811715.db2.gz XAVGKFIIMJSRHD-NEPJUHHUSA-N 2 1 210.365 2.059 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C2CC2)C1 ZINC000782191546 585811716 /nfs/dbraw/zinc/81/17/16/585811716.db2.gz XAVGKFIIMJSRHD-NEPJUHHUSA-N 2 1 210.365 2.059 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C2CC2)C1 ZINC000782191546 585811717 /nfs/dbraw/zinc/81/17/17/585811717.db2.gz XAVGKFIIMJSRHD-NEPJUHHUSA-N 2 1 210.365 2.059 20 0 BEADMP CSCC[C@@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000788493326 585925616 /nfs/dbraw/zinc/92/56/16/585925616.db2.gz JMWUCRZDJSPQON-GFCCVEGCSA-N 2 1 244.448 2.402 20 0 BEADMP CSC[C@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000788489303 585925701 /nfs/dbraw/zinc/92/57/01/585925701.db2.gz XHFBIDAJFFGHFE-CYBMUJFWSA-N 2 1 242.432 2.156 20 0 BEADMP CC[N@H+](CC[NH2+][C@H]1CCC[C@@H](OC)C1)C(C)C ZINC000792950033 586007627 /nfs/dbraw/zinc/00/76/27/586007627.db2.gz GJPFXTUFHAHHTM-UONOGXRCSA-N 2 1 242.407 2.264 20 0 BEADMP CC[N@@H+](CC[NH2+][C@H]1CCC[C@@H](OC)C1)C(C)C ZINC000792950033 586007628 /nfs/dbraw/zinc/00/76/28/586007628.db2.gz GJPFXTUFHAHHTM-UONOGXRCSA-N 2 1 242.407 2.264 20 0 BEADMP C[N@H+](CCC[NH+]1CCCC1)C[C@H]1CCC=CO1 ZINC000798957379 586154305 /nfs/dbraw/zinc/15/43/05/586154305.db2.gz ASYZXAMWFLSJNJ-CQSZACIVSA-N 2 1 238.375 2.097 20 0 BEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H]1CCC=CO1 ZINC000798957379 586154306 /nfs/dbraw/zinc/15/43/06/586154306.db2.gz ASYZXAMWFLSJNJ-CQSZACIVSA-N 2 1 238.375 2.097 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798956980 586154617 /nfs/dbraw/zinc/15/46/17/586154617.db2.gz SECRWKPFDCMKQF-ZIAGYGMSSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+](C)CCC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000859560751 589045290 /nfs/dbraw/zinc/04/52/90/589045290.db2.gz AODPWVRZJMRPJJ-OAHLLOKOSA-N 2 1 247.386 2.464 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC(C(F)F)C2)C1 ZINC000809735548 586515154 /nfs/dbraw/zinc/51/51/54/586515154.db2.gz KHXBLCHEDJUCQI-VOMCLLRMSA-N 2 1 246.345 2.350 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC(C(F)F)C2)C1 ZINC000809735547 586515219 /nfs/dbraw/zinc/51/52/19/586515219.db2.gz KHXBLCHEDJUCQI-UNXYVOJBSA-N 2 1 246.345 2.350 20 0 BEADMP CC[C@@H]([NH2+]CCNc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000817900480 586836135 /nfs/dbraw/zinc/83/61/35/586836135.db2.gz NABCFJGNNSPJOK-CABCVRRESA-N 2 1 247.386 2.219 20 0 BEADMP Cc1cc(Cl)nc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000817929556 586842207 /nfs/dbraw/zinc/84/22/07/586842207.db2.gz IJHFBSPHYJAQJG-UWVGGRQHSA-N 2 1 241.766 2.259 20 0 BEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000817950692 586848209 /nfs/dbraw/zinc/84/82/09/586848209.db2.gz XGBYMRYTYFGEFG-AVGNSLFASA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc2c(c1)CCO2 ZINC000817965026 586853826 /nfs/dbraw/zinc/85/38/26/586853826.db2.gz NMRYYXXQZHWSPB-LLVKDONJSA-N 2 1 246.354 2.154 20 0 BEADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc2c(c1)CCO2 ZINC000817965027 586854248 /nfs/dbraw/zinc/85/42/48/586854248.db2.gz NMRYYXXQZHWSPB-NSHDSACASA-N 2 1 246.354 2.154 20 0 BEADMP CCOc1cccc([C@H](C)[NH2+][C@H](C)C[NH3+])c1 ZINC000817966511 586854990 /nfs/dbraw/zinc/85/49/90/586854990.db2.gz PHZHFYRRJTVTMM-MNOVXSKESA-N 2 1 222.332 2.083 20 0 BEADMP CCOc1cccc([C@@H](C)[NH2+][C@H](C)C[NH3+])c1 ZINC000817966510 586855298 /nfs/dbraw/zinc/85/52/98/586855298.db2.gz PHZHFYRRJTVTMM-GHMZBOCLSA-N 2 1 222.332 2.083 20 0 BEADMP CC[C@@H](Cc1cccs1)[NH2+][C@@H](C)C[NH3+] ZINC000817970371 586857260 /nfs/dbraw/zinc/85/72/60/586857260.db2.gz SPRJVBVPWHXFNW-UWVGGRQHSA-N 2 1 212.362 2.006 20 0 BEADMP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H](C)C[NH3+] ZINC000817970335 586858068 /nfs/dbraw/zinc/85/80/68/586858068.db2.gz ROBUFPXRIXSAQM-GWCFXTLKSA-N 2 1 234.343 2.009 20 0 BEADMP CC[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccc2c(c1)CCO2 ZINC000817971680 586859366 /nfs/dbraw/zinc/85/93/66/586859366.db2.gz OXUCHWOQCHALGT-MFKMUULPSA-N 2 1 234.343 2.009 20 0 BEADMP CC[C@H]([NH2+]C[C@H](C)[NH3+])c1ccc2c(c1)CCCO2 ZINC000817974052 586860340 /nfs/dbraw/zinc/86/03/40/586860340.db2.gz XNLKDPCCZFRHBQ-FZMZJTMJSA-N 2 1 248.370 2.400 20 0 BEADMP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000817973510 586860619 /nfs/dbraw/zinc/86/06/19/586860619.db2.gz UQMXLJZBDOZWAO-UWVGGRQHSA-N 2 1 210.296 2.132 20 0 BEADMP C[C@H](Cc1[nH]cc[nH+]1)OCCCCCCC[NH3+] ZINC000830360453 587547685 /nfs/dbraw/zinc/54/76/85/587547685.db2.gz ISGOAQXOUJDXQQ-GFCCVEGCSA-N 2 1 239.363 2.267 20 0 BEADMP C[N@@H+](CCCC[NH2+]C[C@H]1CCC=CO1)C1CC1 ZINC000835064741 587779939 /nfs/dbraw/zinc/77/99/39/587779939.db2.gz YIYPKFNDHFSQJH-CQSZACIVSA-N 2 1 238.375 2.143 20 0 BEADMP [NH3+]C[C@H]([NH2+]Cc1cncc2ccccc21)C1CC1 ZINC000841027897 587936106 /nfs/dbraw/zinc/93/61/06/587936106.db2.gz GJXDQLPNVMHSCF-HNNXBMFYSA-N 2 1 241.338 2.062 20 0 BEADMP C[NH2+]CCC[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000841041412 587938477 /nfs/dbraw/zinc/93/84/77/587938477.db2.gz FLPNAZCIPIAQQQ-UHFFFAOYSA-N 2 1 248.326 2.141 20 0 BEADMP C[C@@H]([NH2+]Cc1cncc2ccccc21)[C@H](C)[NH3+] ZINC000841076733 587944067 /nfs/dbraw/zinc/94/40/67/587944067.db2.gz NIKLTQSTDDILIP-WDEREUQCSA-N 2 1 229.327 2.060 20 0 BEADMP Cc1cc([C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)no1 ZINC000842471441 588028528 /nfs/dbraw/zinc/02/85/28/588028528.db2.gz BJRKOSCIOVSKER-GXTWGEPZSA-N 2 1 249.358 2.120 20 0 BEADMP [NH3+]C[C@H]([NH2+]CCCCCCO)C1CCCCC1 ZINC000842476207 588029647 /nfs/dbraw/zinc/02/96/47/588029647.db2.gz JBPPVLRLKLXKOD-AWEZNQCLSA-N 2 1 242.407 2.036 20 0 BEADMP [NH3+]C[C@@H]([NH2+]CCCCCCO)C1CCCCC1 ZINC000842476208 588029823 /nfs/dbraw/zinc/02/98/23/588029823.db2.gz JBPPVLRLKLXKOD-CQSZACIVSA-N 2 1 242.407 2.036 20 0 BEADMP C[N@@H+](CCC[NH3+])CCOC1CCCCCC1 ZINC000843351187 588102512 /nfs/dbraw/zinc/10/25/12/588102512.db2.gz JMLUKPZIKMHEQP-UHFFFAOYSA-N 2 1 228.380 2.006 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000844901691 588218967 /nfs/dbraw/zinc/21/89/67/588218967.db2.gz HWHLYBHVMLAFOZ-ZDUSSCGKSA-N 2 1 244.382 2.346 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C=CCC2)[C@@H]2CCC[C@H]21 ZINC000850506206 588552712 /nfs/dbraw/zinc/55/27/12/588552712.db2.gz CLCOFTAKLSGUJG-ZOBORPQBSA-N 2 1 220.360 2.167 20 0 BEADMP ClC(Cl)=CC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000852747027 588699223 /nfs/dbraw/zinc/69/92/23/588699223.db2.gz VENZBBLJFJSJIQ-UHFFFAOYSA-N 2 1 249.185 2.381 20 0 BEADMP [NH3+]CCCCCCC[N@H+]1CCCC[C@H]1CCO ZINC000852755635 588700542 /nfs/dbraw/zinc/70/05/42/588700542.db2.gz WIFWYDMVDPKQTB-AWEZNQCLSA-N 2 1 242.407 2.133 20 0 BEADMP [NH3+]CCCCCCC[N@H+]1CCCC[C@@H]1CCO ZINC000852755636 588700686 /nfs/dbraw/zinc/70/06/86/588700686.db2.gz WIFWYDMVDPKQTB-CQSZACIVSA-N 2 1 242.407 2.133 20 0 BEADMP CCC[C@H](C)CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000863544650 589297952 /nfs/dbraw/zinc/29/79/52/589297952.db2.gz AJDCQWDNUAQDJO-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[C@H](C)CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000863544650 589297954 /nfs/dbraw/zinc/29/79/54/589297954.db2.gz AJDCQWDNUAQDJO-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(C)o1 ZINC000120176349 589389495 /nfs/dbraw/zinc/38/94/95/589389495.db2.gz BMYWXDBUVLPNAW-ZDUSSCGKSA-N 2 1 236.359 2.328 20 0 BEADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(C)o1 ZINC000120176349 589389497 /nfs/dbraw/zinc/38/94/97/589389497.db2.gz BMYWXDBUVLPNAW-ZDUSSCGKSA-N 2 1 236.359 2.328 20 0 BEADMP C[C@@H](CCc1cccnc1)[NH2+]C1CC[NH+](C)CC1 ZINC000866218549 589481516 /nfs/dbraw/zinc/48/15/16/589481516.db2.gz RIVCGWIPRILXAH-ZDUSSCGKSA-N 2 1 247.386 2.087 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2F)CC1 ZINC000866449126 589493398 /nfs/dbraw/zinc/49/33/98/589493398.db2.gz RTSYYABFNYJNAN-QWHCGFSZSA-N 2 1 228.355 2.341 20 0 BEADMP CCCC[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703335 589513741 /nfs/dbraw/zinc/51/37/41/589513741.db2.gz LMTXGACBHOBLBV-ZDUSSCGKSA-N 2 1 212.381 2.483 20 0 BEADMP CCSCC[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866704997 589514417 /nfs/dbraw/zinc/51/44/17/589514417.db2.gz RTWFRNDWAQDMMD-CYBMUJFWSA-N 2 1 244.448 2.436 20 0 BEADMP CC[C@@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708244 589514628 /nfs/dbraw/zinc/51/46/28/589514628.db2.gz QGQNRHSHGFKIAT-YPMHNXCESA-N 2 1 212.381 2.482 20 0 BEADMP Cc1cncc([C@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000866720419 589515310 /nfs/dbraw/zinc/51/53/10/589515310.db2.gz KXFDCEHTRCPLMI-UKRRQHHQSA-N 2 1 245.370 2.136 20 0 BEADMP CC1(C)CC(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC000866725153 589516523 /nfs/dbraw/zinc/51/65/23/589516523.db2.gz RGKAEZDCDNUBHE-OLZOCXBDSA-N 2 1 222.376 2.249 20 0 BEADMP CC1(C)CC(C[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC000866725153 589516525 /nfs/dbraw/zinc/51/65/25/589516525.db2.gz RGKAEZDCDNUBHE-OLZOCXBDSA-N 2 1 222.376 2.249 20 0 BEADMP C[NH+]1CCC([NH2+]CCC[C@@H]2C=CCC2)CC1 ZINC000872106909 589872836 /nfs/dbraw/zinc/87/28/36/589872836.db2.gz IUXOQLBSNKTNIQ-CYBMUJFWSA-N 2 1 222.376 2.417 20 0 BEADMP Cc1ccc(CC[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000872153218 589884727 /nfs/dbraw/zinc/88/47/27/589884727.db2.gz CHAZQUWJXKYCBS-JKSUJKDBSA-N 2 1 244.382 2.079 20 0 BEADMP Cc1cnc([C@H](C)[N@@H+](C)CCCCCC[NH3+])o1 ZINC000872155870 589886481 /nfs/dbraw/zinc/88/64/81/589886481.db2.gz ZDKYURBYFHJREK-LBPRGKRZSA-N 2 1 239.363 2.495 20 0 BEADMP c1cc(NCC[N@@H+]2CC=CCC2)c(C2CC2)c[nH+]1 ZINC000872527104 589947214 /nfs/dbraw/zinc/94/72/14/589947214.db2.gz KQAJZQNZTFQFAF-UHFFFAOYSA-N 2 1 243.354 2.055 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)C1CC1 ZINC000873236015 590003975 /nfs/dbraw/zinc/00/39/75/590003975.db2.gz VVGDQBFJZVXLSO-PWSUYJOCSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cc2cnccc2o1 ZINC000873276353 590017690 /nfs/dbraw/zinc/01/76/90/590017690.db2.gz SNJNVRIIKIGKLD-NXEZZACHSA-N 2 1 245.326 2.086 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)c1cc2cnccc2o1)C1C[NH2+]C1 ZINC000873276358 590017961 /nfs/dbraw/zinc/01/79/61/590017961.db2.gz SNJNVRIIKIGKLD-ZJUUUORDSA-N 2 1 245.326 2.086 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC[C@H]1C=CCC1 ZINC000873283032 590019931 /nfs/dbraw/zinc/01/99/31/590019931.db2.gz YLHGYVWQIBUJBX-HZSPNIEDSA-N 2 1 222.376 2.320 20 0 BEADMP CSC(C)(C)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000876730198 590234153 /nfs/dbraw/zinc/23/41/53/590234153.db2.gz BZSBTYNITVRTLI-LBPRGKRZSA-N 2 1 244.448 2.402 20 0 BEADMP CSC(C)(C)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000876730197 590234221 /nfs/dbraw/zinc/23/42/21/590234221.db2.gz BZSBTYNITVRTLI-GFCCVEGCSA-N 2 1 244.448 2.402 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@@H+](CC2(C)CCCC2)C1 ZINC000876730077 590234298 /nfs/dbraw/zinc/23/42/98/590234298.db2.gz BOPUEPUHDYXIAQ-CYBMUJFWSA-N 2 1 224.392 2.450 20 0 BEADMP C[N@H+]1CC[C@H]2C[NH+](CC3(C)CCC3)CC[C@H]21 ZINC000877738385 590404553 /nfs/dbraw/zinc/40/45/53/590404553.db2.gz BIZNZLSLIKUGBS-QWHCGFSZSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](CC3(C)CCC3)CC[C@H]21 ZINC000877738385 590404554 /nfs/dbraw/zinc/40/45/54/590404554.db2.gz BIZNZLSLIKUGBS-QWHCGFSZSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](CC3(C)CCC3)CC[C@H]21 ZINC000877738385 590404555 /nfs/dbraw/zinc/40/45/55/590404555.db2.gz BIZNZLSLIKUGBS-QWHCGFSZSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](CC3CCCC3)CC[C@@H]21 ZINC000877738201 590405294 /nfs/dbraw/zinc/40/52/94/590405294.db2.gz ANAUFFYRWIQXEC-KGLIPLIRSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CCCC3)CC[C@@H]21 ZINC000877738201 590405296 /nfs/dbraw/zinc/40/52/96/590405296.db2.gz ANAUFFYRWIQXEC-KGLIPLIRSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CCCC3)CC[C@@H]21 ZINC000877738201 590405297 /nfs/dbraw/zinc/40/52/97/590405297.db2.gz ANAUFFYRWIQXEC-KGLIPLIRSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CCCC3)CC[C@@H]21 ZINC000877738201 590405299 /nfs/dbraw/zinc/40/52/99/590405299.db2.gz ANAUFFYRWIQXEC-KGLIPLIRSA-N 2 1 222.376 2.203 20 0 BEADMP CC(C)CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877740163 590406069 /nfs/dbraw/zinc/40/60/69/590406069.db2.gz IUCZJLMTGKADSU-QWHCGFSZSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877740163 590406071 /nfs/dbraw/zinc/40/60/71/590406071.db2.gz IUCZJLMTGKADSU-QWHCGFSZSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877740163 590406073 /nfs/dbraw/zinc/40/60/73/590406073.db2.gz IUCZJLMTGKADSU-QWHCGFSZSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)CCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877744099 590410565 /nfs/dbraw/zinc/41/05/65/590410565.db2.gz ZSFGKLSXDKXYDK-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877744099 590410567 /nfs/dbraw/zinc/41/05/67/590410567.db2.gz ZSFGKLSXDKXYDK-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877744099 590410569 /nfs/dbraw/zinc/41/05/69/590410569.db2.gz ZSFGKLSXDKXYDK-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877744099 590410571 /nfs/dbraw/zinc/41/05/71/590410571.db2.gz ZSFGKLSXDKXYDK-ZIAGYGMSSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877744096 590411352 /nfs/dbraw/zinc/41/13/52/590411352.db2.gz ZSFGKLSXDKXYDK-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877744096 590411354 /nfs/dbraw/zinc/41/13/54/590411354.db2.gz ZSFGKLSXDKXYDK-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877744096 590411356 /nfs/dbraw/zinc/41/13/56/590411356.db2.gz ZSFGKLSXDKXYDK-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)CCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877744096 590411357 /nfs/dbraw/zinc/41/13/57/590411357.db2.gz ZSFGKLSXDKXYDK-KBPBESRZSA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+]1CCC([NH2+]C2(C)CC(F)(F)C2)CC1 ZINC000877833945 590429894 /nfs/dbraw/zinc/42/98/94/590429894.db2.gz LWNIADAFVWTYMC-UHFFFAOYSA-N 2 1 232.318 2.248 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC000878105265 590494780 /nfs/dbraw/zinc/49/47/80/590494780.db2.gz ZANDLTNUOSUUIG-CYBMUJFWSA-N 2 1 236.403 2.450 20 0 BEADMP C=C/C=C\CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000878103597 590495388 /nfs/dbraw/zinc/49/53/88/590495388.db2.gz GMXBCEJXXFXAKP-CFHLNLSMSA-N 2 1 208.349 2.002 20 0 BEADMP CCC[N@H+](C)CC(C)(C)[NH2+]CC[C@H](O)C(C)C ZINC000878995768 590673037 /nfs/dbraw/zinc/67/30/37/590673037.db2.gz WJJIHYGHTPNOOC-ZDUSSCGKSA-N 2 1 244.423 2.103 20 0 BEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CC[C@H](O)C(C)C ZINC000878995768 590673040 /nfs/dbraw/zinc/67/30/40/590673040.db2.gz WJJIHYGHTPNOOC-ZDUSSCGKSA-N 2 1 244.423 2.103 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879530480 590792420 /nfs/dbraw/zinc/79/24/20/590792420.db2.gz UAZMXQNKWCQUMW-GASCZTMLSA-N 2 1 245.370 2.480 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879530480 590792422 /nfs/dbraw/zinc/79/24/22/590792422.db2.gz UAZMXQNKWCQUMW-GASCZTMLSA-N 2 1 245.370 2.480 20 0 BEADMP C[N@@H+]1CC[C@H]2C[NH+](CCCC3CC3)CC[C@H]21 ZINC000879580308 590803204 /nfs/dbraw/zinc/80/32/04/590803204.db2.gz SILXUDCYNDOOGS-UONOGXRCSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@H+]1CC[C@H]2C[NH+](CCCC3CC3)CC[C@H]21 ZINC000879580308 590803206 /nfs/dbraw/zinc/80/32/06/590803206.db2.gz SILXUDCYNDOOGS-UONOGXRCSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](CCCC3CC3)CC[C@H]21 ZINC000879580308 590803207 /nfs/dbraw/zinc/80/32/07/590803207.db2.gz SILXUDCYNDOOGS-UONOGXRCSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](CCCC3CC3)CC[C@H]21 ZINC000879580308 590803211 /nfs/dbraw/zinc/80/32/11/590803211.db2.gz SILXUDCYNDOOGS-UONOGXRCSA-N 2 1 222.376 2.203 20 0 BEADMP C[N@@H+]1CC[C@H]2C[NH+](CC3CC(C)(C)C3)CC[C@@H]21 ZINC000879579755 590816760 /nfs/dbraw/zinc/81/67/60/590816760.db2.gz PFLYLYUGXURVMN-KBPBESRZSA-N 2 1 236.403 2.449 20 0 BEADMP C[N@H+]1CC[C@H]2C[NH+](CC3CC(C)(C)C3)CC[C@@H]21 ZINC000879579755 590816763 /nfs/dbraw/zinc/81/67/63/590816763.db2.gz PFLYLYUGXURVMN-KBPBESRZSA-N 2 1 236.403 2.449 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](CC3CC(C)(C)C3)CC[C@@H]21 ZINC000879579755 590816767 /nfs/dbraw/zinc/81/67/67/590816767.db2.gz PFLYLYUGXURVMN-KBPBESRZSA-N 2 1 236.403 2.449 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](CC3CC(C)(C)C3)CC[C@@H]21 ZINC000879579755 590816768 /nfs/dbraw/zinc/81/67/68/590816768.db2.gz PFLYLYUGXURVMN-KBPBESRZSA-N 2 1 236.403 2.449 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](CC3CC(C)(C)C3)CC[C@@H]21 ZINC000879579756 590817760 /nfs/dbraw/zinc/81/77/60/590817760.db2.gz PFLYLYUGXURVMN-KGLIPLIRSA-N 2 1 236.403 2.449 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CC(C)(C)C3)CC[C@@H]21 ZINC000879579756 590817762 /nfs/dbraw/zinc/81/77/62/590817762.db2.gz PFLYLYUGXURVMN-KGLIPLIRSA-N 2 1 236.403 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CC(C)(C)C3)CC[C@@H]21 ZINC000879579756 590817765 /nfs/dbraw/zinc/81/77/65/590817765.db2.gz PFLYLYUGXURVMN-KGLIPLIRSA-N 2 1 236.403 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CC(C)(C)C3)CC[C@@H]21 ZINC000879579756 590817767 /nfs/dbraw/zinc/81/77/67/590817767.db2.gz PFLYLYUGXURVMN-KGLIPLIRSA-N 2 1 236.403 2.449 20 0 BEADMP CC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879582312 590821816 /nfs/dbraw/zinc/82/18/16/590821816.db2.gz RJLDTEJXDQGFKO-OQOSRZTISA-N 2 1 222.376 2.369 20 0 BEADMP CC/C=C\CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879582312 590821818 /nfs/dbraw/zinc/82/18/18/590821818.db2.gz RJLDTEJXDQGFKO-OQOSRZTISA-N 2 1 222.376 2.369 20 0 BEADMP CC/C=C\CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879582312 590821820 /nfs/dbraw/zinc/82/18/20/590821820.db2.gz RJLDTEJXDQGFKO-OQOSRZTISA-N 2 1 222.376 2.369 20 0 BEADMP CC/C=C\CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879582312 590821823 /nfs/dbraw/zinc/82/18/23/590821823.db2.gz RJLDTEJXDQGFKO-OQOSRZTISA-N 2 1 222.376 2.369 20 0 BEADMP Cc1ccc(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3C)nc1 ZINC000880138549 590939237 /nfs/dbraw/zinc/93/92/37/590939237.db2.gz YJCCXXNXWBVLRS-HUUCEWRRSA-N 2 1 245.370 2.059 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCCN3C)nc1 ZINC000880138549 590939240 /nfs/dbraw/zinc/93/92/40/590939240.db2.gz YJCCXXNXWBVLRS-HUUCEWRRSA-N 2 1 245.370 2.059 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C)nc1 ZINC000880138549 590939242 /nfs/dbraw/zinc/93/92/42/590939242.db2.gz YJCCXXNXWBVLRS-HUUCEWRRSA-N 2 1 245.370 2.059 20 0 BEADMP CC(C)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260379 590979626 /nfs/dbraw/zinc/97/96/26/590979626.db2.gz BYXRQBBJINCDFN-GFCCVEGCSA-N 2 1 219.332 2.001 20 0 BEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](CF)C1 ZINC000880295309 590989194 /nfs/dbraw/zinc/98/91/94/590989194.db2.gz JWBVFNTVTPONEU-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](CF)C1 ZINC000880295309 590989197 /nfs/dbraw/zinc/98/91/97/590989197.db2.gz JWBVFNTVTPONEU-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](CF)C1 ZINC000880295309 590989198 /nfs/dbraw/zinc/98/91/98/590989198.db2.gz JWBVFNTVTPONEU-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP CCCC[N@@H+](C)CCNc1ncnc(C)c1C ZINC000881976920 591284754 /nfs/dbraw/zinc/28/47/54/591284754.db2.gz OSVIHHURDZJTRG-UHFFFAOYSA-N 2 1 236.363 2.237 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2coc3ccccc23)C1 ZINC000131030553 591542784 /nfs/dbraw/zinc/54/27/84/591542784.db2.gz QCLXBQJIMLRZGB-LLVKDONJSA-N 2 1 230.311 2.213 20 0 BEADMP C[N@@H+](CC[C@@H]1CCCC1(F)F)C1CC([NH3+])C1 ZINC000883429157 591660115 /nfs/dbraw/zinc/66/01/15/591660115.db2.gz NDBGVGFEITVNKA-WHXUTIOJSA-N 2 1 232.318 2.233 20 0 BEADMP C[C@]1(C[NH3+])CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883428201 591660357 /nfs/dbraw/zinc/66/03/57/591660357.db2.gz NXIVYRLGDRRYBW-VXGBXAGGSA-N 2 1 246.345 2.483 20 0 BEADMP C=C/C=C\CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000883429360 591660767 /nfs/dbraw/zinc/66/07/67/591660767.db2.gz SOXWCNWDZCMVTE-OVNWPICBSA-N 2 1 234.387 2.440 20 0 BEADMP C[C@@H]1C[N@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1[NH3+] ZINC000883430019 591661779 /nfs/dbraw/zinc/66/17/79/591661779.db2.gz LKRBPKBBQLJCIT-OUAUKWLOSA-N 2 1 232.318 2.091 20 0 BEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1[NH3+] ZINC000883430019 591661780 /nfs/dbraw/zinc/66/17/80/591661780.db2.gz LKRBPKBBQLJCIT-OUAUKWLOSA-N 2 1 232.318 2.091 20 0 BEADMP Cc1ccccc1OCC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000131970124 591680535 /nfs/dbraw/zinc/68/05/35/591680535.db2.gz BOKZDPXUVZSEBS-KBPBESRZSA-N 2 1 248.370 2.185 20 0 BEADMP c1ccc2c(c1)OCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000132117625 591687901 /nfs/dbraw/zinc/68/79/01/591687901.db2.gz XHBIAOWJFZFSII-TZMCWYRMSA-N 2 1 246.354 2.099 20 0 BEADMP CSCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000134023161 591875286 /nfs/dbraw/zinc/87/52/86/591875286.db2.gz ZRVXCJCKIIBMDI-TUAOUCFPSA-N 2 1 230.421 2.200 20 0 BEADMP CSCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000134023161 591875289 /nfs/dbraw/zinc/87/52/89/591875289.db2.gz ZRVXCJCKIIBMDI-TUAOUCFPSA-N 2 1 230.421 2.200 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H](C)CCSC)CC1 ZINC000134063465 591880326 /nfs/dbraw/zinc/88/03/26/591880326.db2.gz SURJXKSFIGZLEN-NSHDSACASA-N 2 1 230.421 2.202 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ncco1 ZINC000886536381 592251135 /nfs/dbraw/zinc/25/11/35/592251135.db2.gz GPNRKXLXKGHRGW-LLVKDONJSA-N 2 1 248.330 2.311 20 0 BEADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccncc1 ZINC000075861536 592312717 /nfs/dbraw/zinc/31/27/17/592312717.db2.gz QKPKOOZXETWDJF-HNNXBMFYSA-N 2 1 247.386 2.388 20 0 BEADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccccn1 ZINC000075860152 592313182 /nfs/dbraw/zinc/31/31/82/592313182.db2.gz GPZYGALZQOBNNF-OAHLLOKOSA-N 2 1 247.386 2.388 20 0 BEADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C2 ZINC000886841408 592363219 /nfs/dbraw/zinc/36/32/19/592363219.db2.gz KNYZBHWIQPQYDY-APIJFGDWSA-N 2 1 234.387 2.236 20 0 BEADMP C[C@H]1CC[N@@H+](CCC[NH3+])[C@H]1c1ccccc1 ZINC000886857790 592370338 /nfs/dbraw/zinc/37/03/38/592370338.db2.gz ADBFLKNMYIMBQP-GXTWGEPZSA-N 2 1 218.344 2.418 20 0 BEADMP Cl/C=C/C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874428 592375080 /nfs/dbraw/zinc/37/50/80/592375080.db2.gz NOWIGVGAHMXNNC-UXONFWTHSA-N 2 1 228.767 2.205 20 0 BEADMP Cl/C=C/C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874428 592375084 /nfs/dbraw/zinc/37/50/84/592375084.db2.gz NOWIGVGAHMXNNC-UXONFWTHSA-N 2 1 228.767 2.205 20 0 BEADMP C(C1CCC1)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886870314 592375566 /nfs/dbraw/zinc/37/55/66/592375566.db2.gz VMWPTDTVJNRMKX-AWEZNQCLSA-N 2 1 222.376 2.252 20 0 BEADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874849 592376603 /nfs/dbraw/zinc/37/66/03/592376603.db2.gz YFZVXTBWYFHQHT-FZKCQIBNSA-N 2 1 248.414 2.498 20 0 BEADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCC1CC1 ZINC000887132783 592449343 /nfs/dbraw/zinc/44/93/43/592449343.db2.gz MUZLOJAIBWQRBG-ZDUSSCGKSA-N 2 1 245.370 2.392 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2CCC2)[C@@H](C)C1 ZINC000222261931 592473534 /nfs/dbraw/zinc/47/35/34/592473534.db2.gz AQOKPWXPDOWZQA-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP CO[C@@H]1C[N@@H+](CCCCCCC[NH3+])CC[C@H]1C ZINC000300004930 592499822 /nfs/dbraw/zinc/49/98/22/592499822.db2.gz KSNULFSRECTKKI-ZIAGYGMSSA-N 2 1 242.407 2.252 20 0 BEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccc2c(c1)COC2 ZINC000302663651 592550935 /nfs/dbraw/zinc/55/09/35/592550935.db2.gz JSGCFZBQJAODFB-OAHLLOKOSA-N 2 1 248.370 2.180 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)CC(F)F ZINC000925734553 634584118 /nfs/dbraw/zinc/58/41/18/634584118.db2.gz SLIBLENGGMCROX-UWVGGRQHSA-N 2 1 234.334 2.398 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000925733406 634579966 /nfs/dbraw/zinc/57/99/66/634579966.db2.gz IOJAWUNQCJVQOR-AAEUAGOBSA-N 2 1 222.376 2.297 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H]1CCCC1(F)F ZINC000925736741 634591069 /nfs/dbraw/zinc/59/10/69/634591069.db2.gz OEEBNQXJRIMUFF-UTUOFQBUSA-N 2 1 246.345 2.400 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1c[nH+]ccc1N ZINC000925821670 635398946 /nfs/dbraw/zinc/39/89/46/635398946.db2.gz HNOVZICWVQGNSS-AHMQBVQWSA-N 2 1 231.343 2.189 20 0 BEADMP CCC[N@@H+](CCCCCCO)C1CC[NH2+]CC1 ZINC000226439847 635433092 /nfs/dbraw/zinc/43/30/92/635433092.db2.gz IUBBDTCABZZSLW-UHFFFAOYSA-N 2 1 242.407 2.003 20 0 BEADMP CC(C)COCC[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000232634532 635515032 /nfs/dbraw/zinc/51/50/32/635515032.db2.gz MXMGEUZRTMQWHL-UHFFFAOYSA-N 2 1 242.407 2.252 20 0 BEADMP CC(C)COCC[N@@H+](C)C1(C[NH3+])CCCCC1 ZINC000232634532 635515041 /nfs/dbraw/zinc/51/50/41/635515041.db2.gz MXMGEUZRTMQWHL-UHFFFAOYSA-N 2 1 242.407 2.252 20 0 BEADMP CC(C)[C@@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000891618375 631410804 /nfs/dbraw/zinc/41/08/04/631410804.db2.gz PUTXQXVVTGSQIA-AWEZNQCLSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000308799394 631644942 /nfs/dbraw/zinc/64/49/42/631644942.db2.gz KJMGOCHIEQQXGH-XQHKEYJVSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000308799394 631644944 /nfs/dbraw/zinc/64/49/44/631644944.db2.gz KJMGOCHIEQQXGH-XQHKEYJVSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)[C@H]1C ZINC000892212796 631787057 /nfs/dbraw/zinc/78/70/57/631787057.db2.gz UMCXTCYVOLKYRG-NEPJUHHUSA-N 2 1 210.365 2.059 20 0 BEADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)[C@@H]1C ZINC000892212799 631787514 /nfs/dbraw/zinc/78/75/14/631787514.db2.gz UMCXTCYVOLKYRG-VXGBXAGGSA-N 2 1 210.365 2.059 20 0 BEADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC2(CCCC2)C1 ZINC000309172113 631922482 /nfs/dbraw/zinc/92/24/82/631922482.db2.gz ANZDYGNQXIGYOC-SNVBAGLBSA-N 2 1 232.318 2.235 20 0 BEADMP [NH3+][C@H](CC(F)F)C[N@H+]1CCC2(CCCC2)C1 ZINC000309172113 631922488 /nfs/dbraw/zinc/92/24/88/631922488.db2.gz ANZDYGNQXIGYOC-SNVBAGLBSA-N 2 1 232.318 2.235 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC=CC[C@H]1C ZINC000934618516 631980216 /nfs/dbraw/zinc/98/02/16/631980216.db2.gz AALFPFCGULKOOD-DGCLKSJQSA-N 2 1 219.332 2.136 20 0 BEADMP C[C@H]1CC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000309317431 631992039 /nfs/dbraw/zinc/99/20/39/631992039.db2.gz POQUPOPWKWYCKB-APYLGABCSA-N 2 1 222.376 2.390 20 0 BEADMP C[C@H]1CC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000309317431 631992043 /nfs/dbraw/zinc/99/20/43/631992043.db2.gz POQUPOPWKWYCKB-APYLGABCSA-N 2 1 222.376 2.390 20 0 BEADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000051918951 632012434 /nfs/dbraw/zinc/01/24/34/632012434.db2.gz BTSQQPUSDOANIA-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000051918949 632012995 /nfs/dbraw/zinc/01/29/95/632012995.db2.gz BTSQQPUSDOANIA-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(C)(C)C ZINC000051919604 632013890 /nfs/dbraw/zinc/01/38/90/632013890.db2.gz KOUUQCDTXUPYTD-LBPRGKRZSA-N 2 1 212.381 2.354 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCC(C)(C)C2)CC[NH2+]1 ZINC000235367156 632028090 /nfs/dbraw/zinc/02/80/90/632028090.db2.gz XFVUNXCSFJMTLP-VXGBXAGGSA-N 2 1 210.365 2.106 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000125546679 632108747 /nfs/dbraw/zinc/10/87/47/632108747.db2.gz LZXFCZHVMWBTOP-SNVBAGLBSA-N 2 1 240.297 2.136 20 0 BEADMP CC[C@H]1CCC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000219757721 632566463 /nfs/dbraw/zinc/56/64/63/632566463.db2.gz DFFDOAQXEMRDRC-STQMWFEESA-N 2 1 210.365 2.251 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]1C ZINC000309175357 632663803 /nfs/dbraw/zinc/66/38/03/632663803.db2.gz MNTPQYDAEIMLRD-RWMBFGLXSA-N 2 1 212.381 2.495 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]1C ZINC000309175357 632663800 /nfs/dbraw/zinc/66/38/00/632663800.db2.gz MNTPQYDAEIMLRD-RWMBFGLXSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1C[C@H](C[N@H+]2CCCC2(C)C)CC[NH2+]1 ZINC000235367479 632679904 /nfs/dbraw/zinc/67/99/04/632679904.db2.gz SKCSDAHEWGIHIJ-VXGBXAGGSA-N 2 1 210.365 2.249 20 0 BEADMP [NH3+][C@@H]1C[C@H]([NH2+]CCOCC2CC2)c2ccccc21 ZINC000236307994 632772364 /nfs/dbraw/zinc/77/23/64/632772364.db2.gz HTNDBBWQLMWTIN-CABCVRRESA-N 2 1 246.354 2.147 20 0 BEADMP C[C@H]1CC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000309317434 632929924 /nfs/dbraw/zinc/92/99/24/632929924.db2.gz POQUPOPWKWYCKB-WYTNZGFTSA-N 2 1 222.376 2.390 20 0 BEADMP C[C@H]1CC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000309317434 632929936 /nfs/dbraw/zinc/92/99/36/632929936.db2.gz POQUPOPWKWYCKB-WYTNZGFTSA-N 2 1 222.376 2.390 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]CC2(C)CCCC2)C1 ZINC000309372363 632987494 /nfs/dbraw/zinc/98/74/94/632987494.db2.gz PPCMUMIGCRFXDA-ZDUSSCGKSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@H](c1ccccc1)[N@H+]1C[C@H](N)C(C)(C)C1 ZINC000080232583 633047264 /nfs/dbraw/zinc/04/72/64/633047264.db2.gz IBOGDDOUDUDOPZ-YPMHNXCESA-N 2 1 218.344 2.417 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](SC)C2)CC1 ZINC000168390864 633143781 /nfs/dbraw/zinc/14/37/81/633143781.db2.gz USWRPNYHXSBONF-QWHCGFSZSA-N 2 1 242.432 2.344 20 0 BEADMP C[NH+](C)Cc1cnc(C[NH2+]C2(C)CCC2)s1 ZINC000309613413 633210589 /nfs/dbraw/zinc/21/05/89/633210589.db2.gz CDWWXJLZEWBPFE-UHFFFAOYSA-N 2 1 239.388 2.237 20 0 BEADMP CC[C@H](C[NH2+]C1CCCC1)[NH+]1CCCC1 ZINC000119290842 633810668 /nfs/dbraw/zinc/81/06/68/633810668.db2.gz QSKPDHIPWNJBHI-CYBMUJFWSA-N 2 1 210.365 2.393 20 0 BEADMP Cc1ccccc1CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925509357 633845890 /nfs/dbraw/zinc/84/58/90/633845890.db2.gz MDQLBOUKXYZUKO-CQSZACIVSA-N 2 1 232.371 2.268 20 0 BEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCc1cccs1 ZINC000925510474 633850653 /nfs/dbraw/zinc/85/06/53/633850653.db2.gz VNNRRNHWQWVWKM-LLVKDONJSA-N 2 1 224.373 2.021 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C2CC(C(F)F)C2)CC[N@@H+]1C ZINC000309370510 633902598 /nfs/dbraw/zinc/90/25/98/633902598.db2.gz BYOSGIOYEMXNMO-QPBDYMMBSA-N 2 1 232.318 2.102 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C2CC(C(F)F)C2)CC[N@H+]1C ZINC000309370510 633902603 /nfs/dbraw/zinc/90/26/03/633902603.db2.gz BYOSGIOYEMXNMO-QPBDYMMBSA-N 2 1 232.318 2.102 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000925532182 633925813 /nfs/dbraw/zinc/92/58/13/633925813.db2.gz FARJYHSJRTUJEM-DZGCQCFKSA-N 2 1 244.382 2.448 20 0 BEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@H]1Cc1ccccc1 ZINC000925575185 634074594 /nfs/dbraw/zinc/07/45/94/634074594.db2.gz QQYHNGRZDDLBJJ-ILXRZTDVSA-N 2 1 244.382 2.348 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000925602216 634129974 /nfs/dbraw/zinc/12/99/74/634129974.db2.gz RLYYFKFPMNUXGD-WBMJQRKESA-N 2 1 244.382 2.132 20 0 BEADMP CCCC(O)(CCC)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925613713 634154398 /nfs/dbraw/zinc/15/43/98/634154398.db2.gz VZUYWEPGTMIHJM-QWHCGFSZSA-N 2 1 242.407 2.048 20 0 BEADMP Cc1cccc(CCC[NH2+][C@H]2CCC[NH2+][C@H]2C)n1 ZINC000925665276 634239809 /nfs/dbraw/zinc/23/98/09/634239809.db2.gz KUKIZIWKIFTIAS-ZFWWWQNUSA-N 2 1 247.386 2.053 20 0 BEADMP Cc1cccc(CCC[NH2+][C@H]2CCC[NH2+][C@@H]2C)n1 ZINC000925665274 634241263 /nfs/dbraw/zinc/24/12/63/634241263.db2.gz KUKIZIWKIFTIAS-HIFRSBDPSA-N 2 1 247.386 2.053 20 0 BEADMP C[C@H](N)[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccccc1 ZINC000925693166 634326670 /nfs/dbraw/zinc/32/66/70/634326670.db2.gz LSJZTQIPFWAFGQ-AYRXBEOTSA-N 2 1 248.370 2.232 20 0 BEADMP C[C@@H](N)[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccccc1 ZINC000925693168 634327230 /nfs/dbraw/zinc/32/72/30/634327230.db2.gz LSJZTQIPFWAFGQ-GBOPCIDUSA-N 2 1 248.370 2.232 20 0 BEADMP C[NH+]1C[C@@]2(C)C[NH+](CCC3CCC3)C[C@]2(C)C1 ZINC000931319552 634340113 /nfs/dbraw/zinc/34/01/13/634340113.db2.gz YKVHNPZANQQEIQ-GJZGRUSLSA-N 2 1 236.403 2.450 20 0 BEADMP c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CC3CCC1CC3)C2 ZINC000925812512 635367575 /nfs/dbraw/zinc/36/75/75/635367575.db2.gz IJGPXVQIHSVNGP-CLRIEMFWSA-N 2 1 245.370 2.366 20 0 BEADMP c1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H]1C[C@H]3C=C[C@@H]1CC3)C2 ZINC000925815080 635380228 /nfs/dbraw/zinc/38/02/28/635380228.db2.gz SXOBMSLMFTYKFC-REWJHTLYSA-N 2 1 243.354 2.142 20 0 BEADMP CCSCC[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897981593 636853161 /nfs/dbraw/zinc/85/31/61/636853161.db2.gz NWZPXPVPZYTHGA-UHFFFAOYSA-N 2 1 242.432 2.346 20 0 BEADMP CCO[C@@H](C[NH2+][C@@H](C)C(C)(C)CC)C[NH+](C)C ZINC000926963098 636974743 /nfs/dbraw/zinc/97/47/43/636974743.db2.gz SGJYLHLTJQHEFD-STQMWFEESA-N 2 1 244.423 2.367 20 0 BEADMP CCO[C@H](C[NH2+][C@@H](C)CCC1CC1)C[NH+](C)C ZINC000926965009 636976577 /nfs/dbraw/zinc/97/65/77/636976577.db2.gz ZEKPMUAKHXBRRF-GXTWGEPZSA-N 2 1 242.407 2.121 20 0 BEADMP CCO[C@H](C[NH2+][C@@H]1CCCC1(C)C)C[NH+](C)C ZINC000926966202 636977605 /nfs/dbraw/zinc/97/76/05/636977605.db2.gz VZHRMWPXWCRTMC-CHWSQXEVSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])CC(C)(C)O1 ZINC000041681572 637016694 /nfs/dbraw/zinc/01/66/94/637016694.db2.gz RUDQWPYWCIAORB-GFCCVEGCSA-N 2 1 228.380 2.005 20 0 BEADMP C[C@H]1C[N@@H+](CCCCCCC[NH3+])CC(C)(C)O1 ZINC000041681551 637017198 /nfs/dbraw/zinc/01/71/98/637017198.db2.gz ACPGEJAKXNQNDU-ZDUSSCGKSA-N 2 1 242.407 2.395 20 0 BEADMP CCO[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000042425576 637243524 /nfs/dbraw/zinc/24/35/24/637243524.db2.gz CUSORLYUPGWVEM-CQSZACIVSA-N 2 1 242.407 2.397 20 0 BEADMP CC(C)C[N@@H+](CC1CC[NH2+]CC1)C(C)C ZINC000042593397 637291077 /nfs/dbraw/zinc/29/10/77/637291077.db2.gz GKGTVQRVSFWHLD-UHFFFAOYSA-N 2 1 212.381 2.352 20 0 BEADMP Cc1cc(C)nc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000903789399 637384381 /nfs/dbraw/zinc/38/43/81/637384381.db2.gz WLZFPKSMIOVVJU-JSGCOSHPSA-N 2 1 247.386 2.115 20 0 BEADMP CC1(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)CCC1 ZINC000904429598 637399754 /nfs/dbraw/zinc/39/97/54/637399754.db2.gz LQOWYWUDJSWXQT-CQSZACIVSA-N 2 1 222.376 2.395 20 0 BEADMP CC1(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)CCC1 ZINC000904429598 637399760 /nfs/dbraw/zinc/39/97/60/637399760.db2.gz LQOWYWUDJSWXQT-CQSZACIVSA-N 2 1 222.376 2.395 20 0 BEADMP CC1(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)CCC1 ZINC000904429597 637401287 /nfs/dbraw/zinc/40/12/87/637401287.db2.gz LQOWYWUDJSWXQT-AWEZNQCLSA-N 2 1 222.376 2.395 20 0 BEADMP CC1(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)CCC1 ZINC000904429597 637401291 /nfs/dbraw/zinc/40/12/91/637401291.db2.gz LQOWYWUDJSWXQT-AWEZNQCLSA-N 2 1 222.376 2.395 20 0 BEADMP C[C@@H](C[NH2+][C@H]1C[NH2+]CC1(C)C)Cc1ccccc1 ZINC000904461973 637407125 /nfs/dbraw/zinc/40/71/25/637407125.db2.gz NCTVTYDHRWPJFS-HIFRSBDPSA-N 2 1 246.398 2.453 20 0 BEADMP CNc1ccccc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000904441896 637411815 /nfs/dbraw/zinc/41/18/15/637411815.db2.gz NYFKMGKZJYUGIT-GFCCVEGCSA-N 2 1 235.375 2.158 20 0 BEADMP C[C@H](CCc1ccccc1)C[NH2+]CC1([NH3+])CC1 ZINC000904449829 637414696 /nfs/dbraw/zinc/41/46/96/637414696.db2.gz LPENAVBGTXWTCC-CYBMUJFWSA-N 2 1 232.371 2.336 20 0 BEADMP CCCc1cccc(C[NH2+]CC2([NH3+])CC2)c1 ZINC000904445623 637414818 /nfs/dbraw/zinc/41/48/18/637414818.db2.gz YHMFQXLWAMOWHI-UHFFFAOYSA-N 2 1 218.344 2.220 20 0 BEADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H](C)c1cncs1 ZINC000904469479 637423595 /nfs/dbraw/zinc/42/35/95/637423595.db2.gz NDFPJJLEOPLWPG-GMTAPVOTSA-N 2 1 239.388 2.324 20 0 BEADMP CCCC[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000906529276 638195290 /nfs/dbraw/zinc/19/52/90/638195290.db2.gz KJVMJACFYHBXLS-UHFFFAOYSA-N 2 1 242.407 2.266 20 0 BEADMP CC(C)C(N)=[NH+]OCC[C@H]1CCCC[N@H+]1C ZINC000906502959 638197184 /nfs/dbraw/zinc/19/71/84/638197184.db2.gz LYYCZRBMNNGEML-LLVKDONJSA-N 2 1 227.352 2.015 20 0 BEADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCc4ccccc43)C[C@H]21 ZINC000931278084 640130921 /nfs/dbraw/zinc/13/09/21/640130921.db2.gz WZZBLZKPOLDEKW-QXSJWSMHSA-N 2 1 242.366 2.166 20 0 BEADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@@H]3CCc4ccccc43)C[C@H]21 ZINC000931278084 640130925 /nfs/dbraw/zinc/13/09/25/640130925.db2.gz WZZBLZKPOLDEKW-QXSJWSMHSA-N 2 1 242.366 2.166 20 0 BEADMP C[C@@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931279512 640131594 /nfs/dbraw/zinc/13/15/94/640131594.db2.gz KISKKKZVUMHPGL-SPWCGHHHSA-N 2 1 230.355 2.239 20 0 BEADMP C[C@@H](c1ccccc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931279512 640131600 /nfs/dbraw/zinc/13/16/00/640131600.db2.gz KISKKKZVUMHPGL-SPWCGHHHSA-N 2 1 230.355 2.239 20 0 BEADMP C[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)c1ccccc1 ZINC000931279461 640132644 /nfs/dbraw/zinc/13/26/44/640132644.db2.gz JOSMSAJCDKPOOD-ARLBYUKCSA-N 2 1 244.382 2.282 20 0 BEADMP C[C@@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)c1ccccc1 ZINC000931279461 640132649 /nfs/dbraw/zinc/13/26/49/640132649.db2.gz JOSMSAJCDKPOOD-ARLBYUKCSA-N 2 1 244.382 2.282 20 0 BEADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21 ZINC000931279727 640132916 /nfs/dbraw/zinc/13/29/16/640132916.db2.gz PKWBBJRAIMMMRP-WDNDVIMCSA-N 2 1 222.376 2.059 20 0 BEADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21 ZINC000931279727 640132923 /nfs/dbraw/zinc/13/29/23/640132923.db2.gz PKWBBJRAIMMMRP-WDNDVIMCSA-N 2 1 222.376 2.059 20 0 BEADMP CCCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931306627 640139010 /nfs/dbraw/zinc/13/90/10/640139010.db2.gz LEIRHAUJBJPEDU-CHWSQXEVSA-N 2 1 210.365 2.060 20 0 BEADMP C[NH+]1C[C@]2(C)C[NH+](CCCCF)C[C@@]2(C)C1 ZINC000931314353 640140871 /nfs/dbraw/zinc/14/08/71/640140871.db2.gz MNIQBESPNFNZCJ-CHWSQXEVSA-N 2 1 228.355 2.010 20 0 BEADMP C[C@H](C1CC1)[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931317162 640144347 /nfs/dbraw/zinc/14/43/47/640144347.db2.gz NCYSNCBQMTYIDL-XBFCOCLRSA-N 2 1 222.376 2.059 20 0 BEADMP CC1CC(C[N@H+]2C[C@@]3(C)CN(C)C[C@@]3(C)C2)C1 ZINC000931311335 640145486 /nfs/dbraw/zinc/14/54/86/640145486.db2.gz HJDKRUGPVVXUNO-ZMYVRHLSSA-N 2 1 236.403 2.306 20 0 BEADMP CC1CC(C[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)C1 ZINC000931311335 640145496 /nfs/dbraw/zinc/14/54/96/640145496.db2.gz HJDKRUGPVVXUNO-ZMYVRHLSSA-N 2 1 236.403 2.306 20 0 BEADMP CC1CC(C[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)C1 ZINC000931311335 640145508 /nfs/dbraw/zinc/14/55/08/640145508.db2.gz HJDKRUGPVVXUNO-ZMYVRHLSSA-N 2 1 236.403 2.306 20 0 BEADMP CC1CC(C[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)C1 ZINC000931311335 640145512 /nfs/dbraw/zinc/14/55/12/640145512.db2.gz HJDKRUGPVVXUNO-ZMYVRHLSSA-N 2 1 236.403 2.306 20 0 BEADMP CC1CC(C[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)C1 ZINC000931311335 640145515 /nfs/dbraw/zinc/14/55/15/640145515.db2.gz HJDKRUGPVVXUNO-ZMYVRHLSSA-N 2 1 236.403 2.306 20 0 BEADMP C[NH+]1C[C@]2(C)C[NH+](CC3CCCC3)C[C@@]2(C)C1 ZINC000931310511 640146375 /nfs/dbraw/zinc/14/63/75/640146375.db2.gz ZEWVPXWHYNWECB-HUUCEWRRSA-N 2 1 236.403 2.450 20 0 BEADMP CC[C@@H](C)C[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931309853 640146612 /nfs/dbraw/zinc/14/66/12/640146612.db2.gz HFYYONGDMCBAFE-MCIONIFRSA-N 2 1 224.392 2.306 20 0 BEADMP CC[C@@H](C)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931309853 640146617 /nfs/dbraw/zinc/14/66/17/640146617.db2.gz HFYYONGDMCBAFE-MCIONIFRSA-N 2 1 224.392 2.306 20 0 BEADMP CC[C@@H](C)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931309853 640146621 /nfs/dbraw/zinc/14/66/21/640146621.db2.gz HFYYONGDMCBAFE-MCIONIFRSA-N 2 1 224.392 2.306 20 0 BEADMP CC[C@@H](C)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931309853 640146626 /nfs/dbraw/zinc/14/66/26/640146626.db2.gz HFYYONGDMCBAFE-MCIONIFRSA-N 2 1 224.392 2.306 20 0 BEADMP CC[C@@H](C)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931309853 640146632 /nfs/dbraw/zinc/14/66/32/640146632.db2.gz HFYYONGDMCBAFE-MCIONIFRSA-N 2 1 224.392 2.306 20 0 BEADMP C[NH+]1C[C@]2(C)C[NH+]([C@@H]3C=CCCC3)C[C@@]2(C)C1 ZINC000931310719 640148168 /nfs/dbraw/zinc/14/81/68/640148168.db2.gz MMEUWTRTHTYHIN-RBSFLKMASA-N 2 1 234.387 2.369 20 0 BEADMP C[N@@H+]1C[C@]2(C)C[NH+](CCCC3CC3)C[C@]2(C)C1 ZINC000931313419 640150378 /nfs/dbraw/zinc/15/03/78/640150378.db2.gz BHADAGPAXDGXMR-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP C[N@H+]1C[C@]2(C)C[NH+](CCCC3CC3)C[C@]2(C)C1 ZINC000931313419 640150382 /nfs/dbraw/zinc/15/03/82/640150382.db2.gz BHADAGPAXDGXMR-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1C[C@]2(C)C[N@H+](CCCC3CC3)C[C@]2(C)C1 ZINC000931313419 640150392 /nfs/dbraw/zinc/15/03/92/640150392.db2.gz BHADAGPAXDGXMR-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1C[C@]2(C)C[N@@H+](CCCC3CC3)C[C@]2(C)C1 ZINC000931313419 640150404 /nfs/dbraw/zinc/15/04/04/640150404.db2.gz BHADAGPAXDGXMR-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP C[N@@H+]1C[C@]2(C)C[NH+](CCCCCF)C[C@]2(C)C1 ZINC000931313851 640153256 /nfs/dbraw/zinc/15/32/56/640153256.db2.gz GYKSFOBCNXWWQY-OKILXGFUSA-N 2 1 242.382 2.400 20 0 BEADMP C[N@H+]1C[C@]2(C)C[NH+](CCCCCF)C[C@]2(C)C1 ZINC000931313851 640153263 /nfs/dbraw/zinc/15/32/63/640153263.db2.gz GYKSFOBCNXWWQY-OKILXGFUSA-N 2 1 242.382 2.400 20 0 BEADMP C[NH+]1C[C@]2(C)C[N@H+](CCCCCF)C[C@]2(C)C1 ZINC000931313851 640153270 /nfs/dbraw/zinc/15/32/70/640153270.db2.gz GYKSFOBCNXWWQY-OKILXGFUSA-N 2 1 242.382 2.400 20 0 BEADMP C[NH+]1C[C@]2(C)C[N@@H+](CCCCCF)C[C@]2(C)C1 ZINC000931313851 640153277 /nfs/dbraw/zinc/15/32/77/640153277.db2.gz GYKSFOBCNXWWQY-OKILXGFUSA-N 2 1 242.382 2.400 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931316027 640154254 /nfs/dbraw/zinc/15/42/54/640154254.db2.gz FYDVDRXTJHYZCU-LXTVHRRPSA-N 2 1 236.403 2.306 20 0 BEADMP C[NH+](C)C1(C)CC[NH+](CCc2ccncc2)CC1 ZINC000931348507 640165539 /nfs/dbraw/zinc/16/55/39/640165539.db2.gz HKCFFFJTBUUOPN-UHFFFAOYSA-N 2 1 247.386 2.040 20 0 BEADMP CCSCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931350875 640167970 /nfs/dbraw/zinc/16/79/70/640167970.db2.gz BEJGBKBXOXKJJU-UHFFFAOYSA-N 2 1 230.421 2.156 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000931425574 640193369 /nfs/dbraw/zinc/19/33/69/640193369.db2.gz GKGNVUQTSAWLNI-CABCVRRESA-N 2 1 230.355 2.070 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000931425574 640193376 /nfs/dbraw/zinc/19/33/76/640193376.db2.gz GKGNVUQTSAWLNI-CABCVRRESA-N 2 1 230.355 2.070 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000931425574 640193387 /nfs/dbraw/zinc/19/33/87/640193387.db2.gz GKGNVUQTSAWLNI-CABCVRRESA-N 2 1 230.355 2.070 20 0 BEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C)oc2C)C1 ZINC000163620724 640194872 /nfs/dbraw/zinc/19/48/72/640194872.db2.gz AEVKGHVYBMBYOR-ZDUSSCGKSA-N 2 1 236.359 2.328 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C)oc2C)C1 ZINC000163620724 640194881 /nfs/dbraw/zinc/19/48/81/640194881.db2.gz AEVKGHVYBMBYOR-ZDUSSCGKSA-N 2 1 236.359 2.328 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CCCCC3)C[C@@H]2C1 ZINC000931429388 640200012 /nfs/dbraw/zinc/20/00/12/640200012.db2.gz GSRVPYVBFBXPQK-CABCVRRESA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CCCCC3)C[C@@H]2C1 ZINC000931429388 640200015 /nfs/dbraw/zinc/20/00/15/640200015.db2.gz GSRVPYVBFBXPQK-CABCVRRESA-N 2 1 236.403 2.450 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2C1 ZINC000931429388 640200020 /nfs/dbraw/zinc/20/00/20/640200020.db2.gz GSRVPYVBFBXPQK-CABCVRRESA-N 2 1 236.403 2.450 20 0 BEADMP CCC[C@@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931439740 640206755 /nfs/dbraw/zinc/20/67/55/640206755.db2.gz YRIZVRAFIVSCAM-FRRDWIJNSA-N 2 1 210.365 2.059 20 0 BEADMP CCC[C@@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931439740 640206758 /nfs/dbraw/zinc/20/67/58/640206758.db2.gz YRIZVRAFIVSCAM-FRRDWIJNSA-N 2 1 210.365 2.059 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CCCC3CC3)C[C@@H]2C1 ZINC000931442289 640208431 /nfs/dbraw/zinc/20/84/31/640208431.db2.gz BDUAYKUQWFFJFA-KGLIPLIRSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CCCC3CC3)C[C@@H]2C1 ZINC000931442289 640208435 /nfs/dbraw/zinc/20/84/35/640208435.db2.gz BDUAYKUQWFFJFA-KGLIPLIRSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCC3CC3)C[C@@H]2C1 ZINC000931442289 640208442 /nfs/dbraw/zinc/20/84/42/640208442.db2.gz BDUAYKUQWFFJFA-KGLIPLIRSA-N 2 1 222.376 2.060 20 0 BEADMP CC[C@@H](C)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931513277 640241307 /nfs/dbraw/zinc/24/13/07/640241307.db2.gz UMOCIEIYOSHJAX-SNVBAGLBSA-N 2 1 219.332 2.068 20 0 BEADMP CC[C@@H](C)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931513277 640241308 /nfs/dbraw/zinc/24/13/08/640241308.db2.gz UMOCIEIYOSHJAX-SNVBAGLBSA-N 2 1 219.332 2.068 20 0 BEADMP CC1(C[N@@H+]2CCc3[nH+]ccc(N)c3C2)CCC1 ZINC000931518760 640249469 /nfs/dbraw/zinc/24/94/69/640249469.db2.gz SAMNWYYTZDHYDH-UHFFFAOYSA-N 2 1 231.343 2.212 20 0 BEADMP CC1(C[N@H+]2CCc3[nH+]ccc(N)c3C2)CCC1 ZINC000931518760 640249477 /nfs/dbraw/zinc/24/94/77/640249477.db2.gz SAMNWYYTZDHYDH-UHFFFAOYSA-N 2 1 231.343 2.212 20 0 BEADMP CC(C)CCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931520330 640253020 /nfs/dbraw/zinc/25/30/20/640253020.db2.gz YSSWWNPJXZYAAM-UHFFFAOYSA-N 2 1 233.359 2.458 20 0 BEADMP CC(C)CCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931520330 640253029 /nfs/dbraw/zinc/25/30/29/640253029.db2.gz YSSWWNPJXZYAAM-UHFFFAOYSA-N 2 1 233.359 2.458 20 0 BEADMP C[N@H+]1CC[C@@H]2CN(CCCC(C)(F)F)CC[C@@H]21 ZINC000931545659 640266487 /nfs/dbraw/zinc/26/64/87/640266487.db2.gz GGMKZMFRSWBUER-NEPJUHHUSA-N 2 1 246.345 2.448 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCC(C)(F)F)CC[C@@H]21 ZINC000931545659 640266496 /nfs/dbraw/zinc/26/64/96/640266496.db2.gz GGMKZMFRSWBUER-NEPJUHHUSA-N 2 1 246.345 2.448 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CCCC(C)(F)F)CC[C@@H]21 ZINC000931545659 640266500 /nfs/dbraw/zinc/26/65/00/640266500.db2.gz GGMKZMFRSWBUER-NEPJUHHUSA-N 2 1 246.345 2.448 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CCCC(C)(F)F)CC[C@@H]21 ZINC000931545659 640266509 /nfs/dbraw/zinc/26/65/09/640266509.db2.gz GGMKZMFRSWBUER-NEPJUHHUSA-N 2 1 246.345 2.448 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCC(C)(F)F)CC[C@@H]21 ZINC000931545659 640266517 /nfs/dbraw/zinc/26/65/17/640266517.db2.gz GGMKZMFRSWBUER-NEPJUHHUSA-N 2 1 246.345 2.448 20 0 BEADMP CC[C@@H]1C[C@H]1CN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000931545806 640268280 /nfs/dbraw/zinc/26/82/80/640268280.db2.gz GJPZUCFKFZDNSZ-RFGFWPKPSA-N 2 1 222.376 2.059 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000931545806 640268285 /nfs/dbraw/zinc/26/82/85/640268285.db2.gz GJPZUCFKFZDNSZ-RFGFWPKPSA-N 2 1 222.376 2.059 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000931545806 640268288 /nfs/dbraw/zinc/26/82/88/640268288.db2.gz GJPZUCFKFZDNSZ-RFGFWPKPSA-N 2 1 222.376 2.059 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000931545806 640268292 /nfs/dbraw/zinc/26/82/92/640268292.db2.gz GJPZUCFKFZDNSZ-RFGFWPKPSA-N 2 1 222.376 2.059 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000931545806 640268296 /nfs/dbraw/zinc/26/82/96/640268296.db2.gz GJPZUCFKFZDNSZ-RFGFWPKPSA-N 2 1 222.376 2.059 20 0 BEADMP C[N@@H+](Cc1ccsc1)C1CCC([NH3+])CC1 ZINC000055144349 640438606 /nfs/dbraw/zinc/43/86/06/640438606.db2.gz IGGUHEXRVCQFIN-UHFFFAOYSA-N 2 1 224.373 2.450 20 0 BEADMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000222612823 640494505 /nfs/dbraw/zinc/49/45/05/640494505.db2.gz SAQMVCPTEJXAAY-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1cncc2ccccc21 ZINC000165086903 640532174 /nfs/dbraw/zinc/53/21/74/640532174.db2.gz IZAYSUQNKGKEAU-UHFFFAOYSA-N 2 1 229.327 2.015 20 0 BEADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccoc2)C1 ZINC000165420077 640575975 /nfs/dbraw/zinc/57/59/75/640575975.db2.gz UFLNYQDXASHFDT-OLZOCXBDSA-N 2 1 222.332 2.242 20 0 BEADMP CC(C)[C@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000166049797 640608307 /nfs/dbraw/zinc/60/83/07/640608307.db2.gz POUWHQWQTCVVHM-LBPRGKRZSA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)SC)[C@@H](C)C1 ZINC000224403104 640616564 /nfs/dbraw/zinc/61/65/64/640616564.db2.gz GREXUTXZCBMEMX-RYUDHWBXSA-N 2 1 244.448 2.448 20 0 BEADMP CC(C)C[C@H](C)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734461 640761302 /nfs/dbraw/zinc/76/13/02/640761302.db2.gz SWCSFVLYPYBVBC-MELADBBJSA-N 2 1 224.392 2.305 20 0 BEADMP CC(C)C[C@H](C)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734461 640761305 /nfs/dbraw/zinc/76/13/05/640761305.db2.gz SWCSFVLYPYBVBC-MELADBBJSA-N 2 1 224.392 2.305 20 0 BEADMP CC(C)C[C@H](C)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933734461 640761307 /nfs/dbraw/zinc/76/13/07/640761307.db2.gz SWCSFVLYPYBVBC-MELADBBJSA-N 2 1 224.392 2.305 20 0 BEADMP CC(C)C[C@H](C)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933734461 640761310 /nfs/dbraw/zinc/76/13/10/640761310.db2.gz SWCSFVLYPYBVBC-MELADBBJSA-N 2 1 224.392 2.305 20 0 BEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000227029891 640809265 /nfs/dbraw/zinc/80/92/65/640809265.db2.gz VUQMMBROUBKCLF-QWHCGFSZSA-N 2 1 218.344 2.418 20 0 BEADMP CC(C)[C@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000228738446 640892574 /nfs/dbraw/zinc/89/25/74/640892574.db2.gz UHPWXOGUEXGRPN-KBPBESRZSA-N 2 1 224.392 2.354 20 0 BEADMP C[N@@H+](CC(C)(C)C)C[C@@]1(C)CCC[NH2+]C1 ZINC000062867736 641102551 /nfs/dbraw/zinc/10/25/51/641102551.db2.gz FVJRTXAQENZGRP-ZDUSSCGKSA-N 2 1 212.381 2.354 20 0 BEADMP c1ccc([C@@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000050599370 641192465 /nfs/dbraw/zinc/19/24/65/641192465.db2.gz GMSNDDHMMIXEQL-GDBMZVCRSA-N 2 1 244.382 2.476 20 0 BEADMP CSCC(C)(C)[NH2+]CCCc1c[nH+]cn1C ZINC000934671351 641238956 /nfs/dbraw/zinc/23/89/56/641238956.db2.gz WVNUUMZYXJOCKY-UHFFFAOYSA-N 2 1 241.404 2.084 20 0 BEADMP CC[C@H]1CO[C@H](C)C[N@H+]1CCCCCC[NH3+] ZINC000042452027 641551680 /nfs/dbraw/zinc/55/16/80/641551680.db2.gz VJAPJVZTJPQNLF-OLZOCXBDSA-N 2 1 228.380 2.005 20 0 BEADMP CC[C@H]1CO[C@@H](C)C[N@H+]1CCCCCCC[NH3+] ZINC000042452103 641552293 /nfs/dbraw/zinc/55/22/93/641552293.db2.gz GQAXKTIRMLKWPH-KBPBESRZSA-N 2 1 242.407 2.395 20 0 BEADMP [NH3+]CC[C@H]1CC[N@@H+](CCc2cccc(F)c2)C1 ZINC000075173797 641745938 /nfs/dbraw/zinc/74/59/38/641745938.db2.gz HZAFFMRSPGZBGP-ZDUSSCGKSA-N 2 1 236.334 2.039 20 0 BEADMP CC[C@H](C)C[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC000093066492 642454332 /nfs/dbraw/zinc/45/43/32/642454332.db2.gz KBXRDTDIEWVEPK-STQMWFEESA-N 2 1 212.381 2.354 20 0 BEADMP CC(C)C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000304334334 642510120 /nfs/dbraw/zinc/51/01/20/642510120.db2.gz DRKIJHLHANNBRO-BETUJISGSA-N 2 1 224.392 2.066 20 0 BEADMP COc1ccc(C[NH2+]CCC[NH+](C)C)c(C)c1 ZINC000921474307 642632707 /nfs/dbraw/zinc/63/27/07/642632707.db2.gz UFSUDQRGYLKGDY-UHFFFAOYSA-N 2 1 236.359 2.045 20 0 BEADMP CC1(C)CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000069793394 642913652 /nfs/dbraw/zinc/91/36/52/642913652.db2.gz CCCGHPUHSXHGKX-ZDUSSCGKSA-N 2 1 224.392 2.498 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000097918783 643213128 /nfs/dbraw/zinc/21/31/28/643213128.db2.gz IOZDSSHQKFRSNE-SNVBAGLBSA-N 2 1 240.297 2.136 20 0 BEADMP C[N@@H+](CC1CCCC1)C[C@]1(C)CCC[NH2+]C1 ZINC000082493389 643327086 /nfs/dbraw/zinc/32/70/86/643327086.db2.gz ADEUNTZEQHKVIE-CQSZACIVSA-N 2 1 224.392 2.498 20 0 BEADMP CC[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000234064843 643393320 /nfs/dbraw/zinc/39/33/20/643393320.db2.gz TZDNPELXSUSSRQ-RDBSUJKOSA-N 2 1 224.392 2.354 20 0 BEADMP C[NH+](C)[C@@H](C[NH2+]C[C@@H]1CC=CCC1)C1CC1 ZINC000121038086 643440659 /nfs/dbraw/zinc/44/06/59/643440659.db2.gz XUGUQUMPOVNVCR-OCCSQVGLSA-N 2 1 222.376 2.273 20 0 BEADMP CC(C)C[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000307802639 643669376 /nfs/dbraw/zinc/66/93/76/643669376.db2.gz KUCCOGXJDOLTRB-QWRGUYRKSA-N 2 1 234.334 2.337 20 0 BEADMP CC(C)C[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000307802639 643669380 /nfs/dbraw/zinc/66/93/80/643669380.db2.gz KUCCOGXJDOLTRB-QWRGUYRKSA-N 2 1 234.334 2.337 20 0 BEADMP C[N@@H+](CC1CCCC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085015939 643678609 /nfs/dbraw/zinc/67/86/09/643678609.db2.gz SXWATUBDPPCWEA-OLZOCXBDSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000085015938 643679111 /nfs/dbraw/zinc/67/91/11/643679111.db2.gz FZJVRFLNXRELIB-XQQFMLRXSA-N 2 1 210.365 2.236 20 0 BEADMP C[N@H+](Cc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085014332 643679858 /nfs/dbraw/zinc/67/98/58/643679858.db2.gz HVZGKJDOAKYJOV-KGLIPLIRSA-N 2 1 218.344 2.246 20 0 BEADMP CCCCOCC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000085870034 643824789 /nfs/dbraw/zinc/82/47/89/643824789.db2.gz YDJCTAAYTWUKAJ-UHFFFAOYSA-N 2 1 228.380 2.005 20 0 BEADMP CCO[C@@H](C[NH2+]C1CCC(C)CC1)C[NH+](C)C ZINC000922760207 644089171 /nfs/dbraw/zinc/08/91/71/644089171.db2.gz KLIXUPVBDOPPQP-RUXDESIVSA-N 2 1 242.407 2.121 20 0 BEADMP C[N@@H+](CCc1cccs1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000086442288 644136435 /nfs/dbraw/zinc/13/64/35/644136435.db2.gz KPFBYRWYDRMDBA-NEPJUHHUSA-N 2 1 238.400 2.350 20 0 BEADMP CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000086573165 644152218 /nfs/dbraw/zinc/15/22/18/644152218.db2.gz IZYRGHZOSGLNLF-YHWZYXNKSA-N 2 1 222.376 2.391 20 0 BEADMP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000193842603 644284417 /nfs/dbraw/zinc/28/44/17/644284417.db2.gz YSPQLKXGJYFPDZ-AWEZNQCLSA-N 2 1 238.375 2.142 20 0 BEADMP C[N@H+](CCC[NH2+]C1CC1)CCOc1ccccc1 ZINC000923298285 644337700 /nfs/dbraw/zinc/33/77/00/644337700.db2.gz ITTIFGJDCOVXCR-UHFFFAOYSA-N 2 1 248.370 2.139 20 0 BEADMP C[N@@H+](CCC[NH2+]C1CC1)CCOc1ccccc1 ZINC000923298285 644337706 /nfs/dbraw/zinc/33/77/06/644337706.db2.gz ITTIFGJDCOVXCR-UHFFFAOYSA-N 2 1 248.370 2.139 20 0 BEADMP CC[N@@H+](CCC[NH2+]C1CC1)CCc1ccccn1 ZINC000923321204 644349981 /nfs/dbraw/zinc/34/99/81/644349981.db2.gz ADERPQRAOBVYQX-UHFFFAOYSA-N 2 1 247.386 2.088 20 0 BEADMP C[C@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@@H]1[NH3+] ZINC000923365555 644376237 /nfs/dbraw/zinc/37/62/37/644376237.db2.gz FXYOPPCJFRBJHW-AAEUAGOBSA-N 2 1 222.376 2.236 20 0 BEADMP Fc1cccc(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000923359371 644382881 /nfs/dbraw/zinc/38/28/81/644382881.db2.gz QQKBYKFFMCRZKD-DZGCQCFKSA-N 2 1 248.345 2.052 20 0 BEADMP Fc1cccc(CC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000923359371 644382885 /nfs/dbraw/zinc/38/28/85/644382885.db2.gz QQKBYKFFMCRZKD-DZGCQCFKSA-N 2 1 248.345 2.052 20 0 BEADMP C[C@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455565 644436190 /nfs/dbraw/zinc/43/61/90/644436190.db2.gz YAAYCYPJVHIZHV-BYNSBNAKSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H]1C[N@@H+](CCC2CCC2)CC[C@@H]1C[NH3+] ZINC000923488014 644461856 /nfs/dbraw/zinc/46/18/56/644461856.db2.gz CTMFUAXHURKRJK-WCQYABFASA-N 2 1 210.365 2.093 20 0 BEADMP C[C@@H]1C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)CC[C@@H]1C[NH3+] ZINC000923491934 644468138 /nfs/dbraw/zinc/46/81/38/644468138.db2.gz KUSZMMWIBSJDPJ-NGFQHRJXSA-N 2 1 236.403 2.339 20 0 BEADMP COc1cccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923498552 644473396 /nfs/dbraw/zinc/47/33/96/644473396.db2.gz OTXWEAPOSASSOA-TZMCWYRMSA-N 2 1 248.370 2.112 20 0 BEADMP c1ccc([C@@H]2C[C@@H]2[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923515606 644479498 /nfs/dbraw/zinc/47/94/98/644479498.db2.gz IJRQFGTUUUPCHL-FZKCQIBNSA-N 2 1 242.366 2.084 20 0 BEADMP Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516384 644479517 /nfs/dbraw/zinc/47/95/17/644479517.db2.gz BOFDFBBKVSCWCH-GXTWGEPZSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1F ZINC000923515853 644481367 /nfs/dbraw/zinc/48/13/67/644481367.db2.gz OVGCGXYDIDSZNN-UONOGXRCSA-N 2 1 248.345 2.175 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1F ZINC000923515853 644481373 /nfs/dbraw/zinc/48/13/73/644481373.db2.gz OVGCGXYDIDSZNN-UONOGXRCSA-N 2 1 248.345 2.175 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518951 644483143 /nfs/dbraw/zinc/48/31/43/644483143.db2.gz HIWPOJOMFQZTPR-APIJFGDWSA-N 2 1 236.403 2.354 20 0 BEADMP CCc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923521173 644483563 /nfs/dbraw/zinc/48/35/63/644483563.db2.gz JSSGDBVLCQUQJF-JKSUJKDBSA-N 2 1 244.382 2.290 20 0 BEADMP [NH3+]CCCCCCC[N@H+]1CCCCC[C@@H]1CO ZINC000923530426 644486872 /nfs/dbraw/zinc/48/68/72/644486872.db2.gz ISQRCYCTIMOCIT-CQSZACIVSA-N 2 1 242.407 2.133 20 0 BEADMP CC(C)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923533720 644490520 /nfs/dbraw/zinc/49/05/20/644490520.db2.gz NTCZIMVQRRNAMK-CHWSQXEVSA-N 2 1 210.365 2.249 20 0 BEADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923532716 644490657 /nfs/dbraw/zinc/49/06/57/644490657.db2.gz GENNGJWAGANDAJ-LXTVHRRPSA-N 2 1 234.387 2.251 20 0 BEADMP COCCCCC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923533131 644490757 /nfs/dbraw/zinc/49/07/57/644490757.db2.gz FKVXZLHYDCHFQO-AWEZNQCLSA-N 2 1 240.391 2.021 20 0 BEADMP COCCCCC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923533131 644490762 /nfs/dbraw/zinc/49/07/62/644490762.db2.gz FKVXZLHYDCHFQO-AWEZNQCLSA-N 2 1 240.391 2.021 20 0 BEADMP CC[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251914045 644830180 /nfs/dbraw/zinc/83/01/80/644830180.db2.gz XXHXHORAPOSYLZ-CHWSQXEVSA-N 2 1 210.365 2.251 20 0 BEADMP CC[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251914047 644830738 /nfs/dbraw/zinc/83/07/38/644830738.db2.gz XXHXHORAPOSYLZ-OLZOCXBDSA-N 2 1 210.365 2.251 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000415136425 644886459 /nfs/dbraw/zinc/88/64/59/644886459.db2.gz HJILAGUXCBHDEY-CYBMUJFWSA-N 2 1 210.365 2.251 20 0 BEADMP CSCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703301 644886744 /nfs/dbraw/zinc/88/67/44/644886744.db2.gz RONSUOKOILJVQF-XQQFMLRXSA-N 2 1 242.432 2.344 20 0 BEADMP C[C@@]1(C[N@H+]2CCC3(CCCC3)C2)CC[NH2+]C1 ZINC000304419083 644904295 /nfs/dbraw/zinc/90/42/95/644904295.db2.gz QSJMHKIAYMLQJG-CYBMUJFWSA-N 2 1 222.376 2.252 20 0 BEADMP CCOc1cccc([C@H](C)[NH2+]C[C@H]([NH3+])CC)c1 ZINC000817980374 644992193 /nfs/dbraw/zinc/99/21/93/644992193.db2.gz UKYPVHLNBUGRDG-WCQYABFASA-N 2 1 236.359 2.473 20 0 BEADMP CCOc1cccc([C@@H](C)[NH2+]C[C@H]([NH3+])CC)c1 ZINC000817980373 644992354 /nfs/dbraw/zinc/99/23/54/644992354.db2.gz UKYPVHLNBUGRDG-DGCLKSJQSA-N 2 1 236.359 2.473 20 0 BEADMP CCO[C@H](C[NH2+][C@H](C)C1CCCC1)C[NH+](C)C ZINC000926965659 645502190 /nfs/dbraw/zinc/50/21/90/645502190.db2.gz RQMPOEZMHDCXJM-TZMCWYRMSA-N 2 1 242.407 2.121 20 0 BEADMP CCO[C@@H](C[NH2+][C@@H](C)C1CCCC1)C[NH+](C)C ZINC000926965457 645502249 /nfs/dbraw/zinc/50/22/49/645502249.db2.gz RQMPOEZMHDCXJM-JSGCOSHPSA-N 2 1 242.407 2.121 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CCS[C@@H](C)C2)CC1 ZINC000927033441 645530934 /nfs/dbraw/zinc/53/09/34/645530934.db2.gz SRSZWCXLXKKBEU-WCQYABFASA-N 2 1 242.432 2.344 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CCS[C@H](C)C2)CC1 ZINC000927033442 645531668 /nfs/dbraw/zinc/53/16/68/645531668.db2.gz SRSZWCXLXKKBEU-YPMHNXCESA-N 2 1 242.432 2.344 20 0 BEADMP c1ccc2c(c1)C[C@H]2C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925493491 645715770 /nfs/dbraw/zinc/71/57/70/645715770.db2.gz XVGGQFXDKHBVSR-ZFWWWQNUSA-N 2 1 242.366 2.201 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000924706901 646092381 /nfs/dbraw/zinc/09/23/81/646092381.db2.gz RQXOEBCYKGIQLT-XQLPTFJDSA-N 2 1 234.387 2.273 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000924706898 646092910 /nfs/dbraw/zinc/09/29/10/646092910.db2.gz RQXOEBCYKGIQLT-BYNSBNAKSA-N 2 1 234.387 2.273 20 0 BEADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2)C1CC1 ZINC000924718014 646094824 /nfs/dbraw/zinc/09/48/24/646094824.db2.gz ORDQNLAKXCRVFM-MXYBEHONSA-N 2 1 234.387 2.271 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CC=CCC1 ZINC000924805589 646113634 /nfs/dbraw/zinc/11/36/34/646113634.db2.gz KPOXQLILXAGQCI-JKXDFHQYSA-N 2 1 234.387 2.273 20 0 BEADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccccc1 ZINC000925483298 646295025 /nfs/dbraw/zinc/29/50/25/646295025.db2.gz YMNJWTKYBKNDMK-WVWOOGAGSA-N 2 1 218.344 2.321 20 0 BEADMP CC(C)C[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925494398 646301806 /nfs/dbraw/zinc/30/18/06/646301806.db2.gz PDMWUIIRIHZGIO-AAEUAGOBSA-N 2 1 206.333 2.321 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@@H+](C)C1CCN(CC)CC1 ZINC000929777460 646305361 /nfs/dbraw/zinc/30/53/61/646305361.db2.gz BCJLMPGNHNQFSN-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000929777460 646305369 /nfs/dbraw/zinc/30/53/69/646305369.db2.gz BCJLMPGNHNQFSN-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000929777460 646305375 /nfs/dbraw/zinc/30/53/75/646305375.db2.gz BCJLMPGNHNQFSN-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000925524498 646314421 /nfs/dbraw/zinc/31/44/21/646314421.db2.gz UMMIIZVVOZIFIS-CQSZACIVSA-N 2 1 248.370 2.186 20 0 BEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000925533732 646319153 /nfs/dbraw/zinc/31/91/53/646319153.db2.gz OYHPIUOCXOODRJ-AWEZNQCLSA-N 2 1 244.382 2.448 20 0 BEADMP C[C@H]([NH3+])[C@@H]([NH2+]CC1CC1)c1ccccc1 ZINC000925535983 646322259 /nfs/dbraw/zinc/32/22/59/646322259.db2.gz MURQPEHPFIOIDI-GXFFZTMASA-N 2 1 204.317 2.075 20 0 BEADMP Cc1cccc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925548552 646327155 /nfs/dbraw/zinc/32/71/55/646327155.db2.gz SFUVAUOODHIWFB-OAHLLOKOSA-N 2 1 244.382 2.412 20 0 BEADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925609326 646361035 /nfs/dbraw/zinc/36/10/35/646361035.db2.gz SKGWEFFJKVNQRI-TYNCELHUSA-N 2 1 248.370 2.053 20 0 BEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000925635199 646378015 /nfs/dbraw/zinc/37/80/15/646378015.db2.gz PDSRXOZCHRJXAK-QWRGUYRKSA-N 2 1 228.405 2.002 20 0 BEADMP CS[C@H](C[NH2+][C@H]1CCC[NH2+][C@@H]1C)C(C)(C)C ZINC000925637740 646380860 /nfs/dbraw/zinc/38/08/60/646380860.db2.gz QWPBZPVLUFSIRP-GRYCIOLGSA-N 2 1 244.448 2.494 20 0 BEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CC12CCCC2 ZINC000925651478 646391104 /nfs/dbraw/zinc/39/11/04/646391104.db2.gz DGYWOMVWZAJFQP-QWRGUYRKSA-N 2 1 208.349 2.049 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000925666715 646397731 /nfs/dbraw/zinc/39/77/31/646397731.db2.gz QNNKUJMNQWXRAE-BDAKNGLRSA-N 2 1 238.297 2.305 20 0 BEADMP CC1(C)[C@H](C[NH2+][C@H]2CC[NH2+]C2(C)C)C1(F)F ZINC000925704201 646427559 /nfs/dbraw/zinc/42/75/59/646427559.db2.gz CJOLHHNAQTZIID-IUCAKERBSA-N 2 1 232.318 2.008 20 0 BEADMP CSCC1(CC[NH2+][C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925705748 646430235 /nfs/dbraw/zinc/43/02/35/646430235.db2.gz LGHQRJZIJBDMLZ-RYUDHWBXSA-N 2 1 242.432 2.250 20 0 BEADMP CC1(C)C[C@@]1(C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925707047 646430542 /nfs/dbraw/zinc/43/05/42/646430542.db2.gz NAYUWYWGTFIWLX-ZYHUDNBSSA-N 2 1 208.349 2.049 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000925708338 646432118 /nfs/dbraw/zinc/43/21/18/646432118.db2.gz SIIAZEBTZGVTED-IVZWLZJFSA-N 2 1 232.318 2.008 20 0 BEADMP C[C@H]([NH3+])[C@@H](NCCCCCC[NH3+])c1ccccc1 ZINC000925713404 646439302 /nfs/dbraw/zinc/43/93/02/646439302.db2.gz RVWBYZXSLGEPPO-DZGCQCFKSA-N 2 1 249.402 2.184 20 0 BEADMP C[C@H]([NH3+])[C@@H]([NH2+]CCCCCC[NH3+])c1ccccc1 ZINC000925713404 646439307 /nfs/dbraw/zinc/43/93/07/646439307.db2.gz RVWBYZXSLGEPPO-DZGCQCFKSA-N 3 1 249.402 2.184 20 0 BEADMP CO[C@H]1C[C@@H](C[NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])C1 ZINC000925717419 646442798 /nfs/dbraw/zinc/44/27/98/646442798.db2.gz GGSGAWWFUCDFCO-DDHJSBNISA-N 2 1 248.370 2.090 20 0 BEADMP CCC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccccn1 ZINC000925786503 646482754 /nfs/dbraw/zinc/48/27/54/646482754.db2.gz SUIROYCXUACLFG-RDBSUJKOSA-N 2 1 247.386 2.368 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+]C1CC2(C1)CCCC2 ZINC000926201905 646593390 /nfs/dbraw/zinc/59/33/90/646593390.db2.gz AEPDSEFNYBQVGC-UHFFFAOYSA-N 2 1 233.359 2.275 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@H](C1CC1)C(C)(C)C ZINC000926204041 646593942 /nfs/dbraw/zinc/59/39/42/646593942.db2.gz QIFDASYFDIEYPK-CYBMUJFWSA-N 2 1 235.375 2.377 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)C(C)(C)CO ZINC000926455752 646644875 /nfs/dbraw/zinc/64/48/75/646644875.db2.gz IWEJDWZDDGAKIQ-QWHCGFSZSA-N 2 1 244.423 2.103 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)C(C)(C)CO ZINC000926455752 646644880 /nfs/dbraw/zinc/64/48/80/646644880.db2.gz IWEJDWZDDGAKIQ-QWHCGFSZSA-N 2 1 244.423 2.103 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)C(C)(C)CO ZINC000926455754 646645364 /nfs/dbraw/zinc/64/53/64/646645364.db2.gz IWEJDWZDDGAKIQ-STQMWFEESA-N 2 1 244.423 2.103 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)C(C)(C)CO ZINC000926455754 646645366 /nfs/dbraw/zinc/64/53/66/646645366.db2.gz IWEJDWZDDGAKIQ-STQMWFEESA-N 2 1 244.423 2.103 20 0 BEADMP C[C@H]1CCC[N@H+](CCCC(C)(F)F)[C@@H]1C[NH3+] ZINC000718574297 711661307 /nfs/dbraw/zinc/66/13/07/711661307.db2.gz YZBSOVJMEVGMLJ-WDEREUQCSA-N 2 1 234.334 2.481 20 0 BEADMP C[C@H]1CCC[N@@H+](CCCC(C)(F)F)[C@@H]1C[NH3+] ZINC000718574297 711661308 /nfs/dbraw/zinc/66/13/08/711661308.db2.gz YZBSOVJMEVGMLJ-WDEREUQCSA-N 2 1 234.334 2.481 20 0 BEADMP C[C@@H]1CCC[N@H+](C[C@H]([NH3+])CC(F)F)[C@@H]1C ZINC000393728924 711676727 /nfs/dbraw/zinc/67/67/27/711676727.db2.gz LHLGKFPIHFQZRU-OPRDCNLKSA-N 2 1 220.307 2.089 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@H]([NH3+])CC(F)F)[C@@H]1C ZINC000393728924 711676729 /nfs/dbraw/zinc/67/67/29/711676729.db2.gz LHLGKFPIHFQZRU-OPRDCNLKSA-N 2 1 220.307 2.089 20 0 BEADMP CC[C@H]1CC[C@@H](C)[N@H+]1CCC[NH2+]C1CC1 ZINC000136085702 711684203 /nfs/dbraw/zinc/68/42/03/711684203.db2.gz BPMBZLJZZDIQJM-YPMHNXCESA-N 2 1 210.365 2.391 20 0 BEADMP CSC(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159987299 711805362 /nfs/dbraw/zinc/80/53/62/711805362.db2.gz FIDBJERYUMMKLC-NWDGAFQWSA-N 2 1 242.432 2.344 20 0 BEADMP CSC1CC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000706929181 712161704 /nfs/dbraw/zinc/16/17/04/712161704.db2.gz OTPLVKLXKORXCO-IFWUJCSASA-N 2 1 240.416 2.097 20 0 BEADMP CC(C)[C@H]1C[N@@H+](CCC[NH2+]C2CC2)CCS1 ZINC000707165772 712165824 /nfs/dbraw/zinc/16/58/24/712165824.db2.gz DHNKKMKOMJGEKV-CYBMUJFWSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)C(C)(C)C ZINC000710719905 712255740 /nfs/dbraw/zinc/25/57/40/712255740.db2.gz RPJWQVQZNOSAAL-NWDGAFQWSA-N 2 1 212.381 2.339 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])C[C@H]1CC(C)(C)CO1 ZINC000710763706 712256580 /nfs/dbraw/zinc/25/65/80/712256580.db2.gz AHSFTEHKTGNAOY-CYBMUJFWSA-N 2 1 242.407 2.252 20 0 BEADMP C[C@H](C[N@H+]1CC[C@H](CC[NH3+])C1)C(C)(C)C ZINC000710719904 712255824 /nfs/dbraw/zinc/25/58/24/712255824.db2.gz RPJWQVQZNOSAAL-NEPJUHHUSA-N 2 1 212.381 2.339 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)C(C)(F)F ZINC000711245146 712291438 /nfs/dbraw/zinc/29/14/38/712291438.db2.gz JRDVKEQCLGZEKO-VHSXEESVSA-N 2 1 234.334 2.398 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)C(C)(F)F ZINC000711245143 712291446 /nfs/dbraw/zinc/29/14/46/712291446.db2.gz JRDVKEQCLGZEKO-UWVGGRQHSA-N 2 1 234.334 2.398 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C=CCC2)CC[N@H+]1C ZINC000711666889 712318680 /nfs/dbraw/zinc/31/86/80/712318680.db2.gz JGDDTCREHRTUFF-FRRDWIJNSA-N 2 1 208.349 2.025 20 0 BEADMP C[NH+]1CCC([NH2+]CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000712698116 712448730 /nfs/dbraw/zinc/44/87/30/712448730.db2.gz AADYGSPWHDJYMG-OCCSQVGLSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712748930 712448745 /nfs/dbraw/zinc/44/87/45/712448745.db2.gz ICCCPZAGGNXURS-ZZVYKPCYSA-N 2 1 222.376 2.153 20 0 BEADMP C=C/C=C\CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000713741418 712471496 /nfs/dbraw/zinc/47/14/96/712471496.db2.gz UNIIIYURTYLSOC-JJVDHKILSA-N 2 1 220.360 2.178 20 0 BEADMP C[N@@H+](CCC[NH3+])CC[C@@H]1CCCC1(F)F ZINC000713979941 712475981 /nfs/dbraw/zinc/47/59/81/712475981.db2.gz BDZNSHMDTCWDLS-JTQLQIEISA-N 2 1 220.307 2.093 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000714375371 712484659 /nfs/dbraw/zinc/48/46/59/712484659.db2.gz UFDZXQYYZGCQHZ-RWMBFGLXSA-N 2 1 240.391 2.003 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@H]1CCCS1 ZINC000715656998 712529850 /nfs/dbraw/zinc/52/98/50/712529850.db2.gz ILGHXRHUSLGXFB-SRVKXCTJSA-N 2 1 228.405 2.002 20 0 BEADMP CC(F)(F)CCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000718570711 712775163 /nfs/dbraw/zinc/77/51/63/712775163.db2.gz KKNRIBJQRJOSPO-JTQLQIEISA-N 2 1 220.307 2.093 20 0 BEADMP C(C[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21)C1CCCC1 ZINC000720905498 712877012 /nfs/dbraw/zinc/87/70/12/712877012.db2.gz YZQMKIWOYNZRDJ-KGLIPLIRSA-N 2 1 222.376 2.393 20 0 BEADMP C(C[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21)C1CCCC1 ZINC000720905498 712877013 /nfs/dbraw/zinc/87/70/13/712877013.db2.gz YZQMKIWOYNZRDJ-KGLIPLIRSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC2(C)CC(F)(F)C2)CC[N@H+]1C ZINC000720934282 712879949 /nfs/dbraw/zinc/87/99/49/712879949.db2.gz FUVCJNYCPMLIEE-GHMZBOCLSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@H]1[C@@H](C)[N@H+](CCC2CC[NH2+]CC2)C[C@H]1C ZINC000399640132 1166247973 /nfs/dbraw/zinc/24/79/73/1166247973.db2.gz XFCSWCROQSJSNW-JHJVBQTASA-N 2 1 224.392 2.352 20 0 BEADMP CSCC[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000381298684 710618251 /nfs/dbraw/zinc/61/82/51/710618251.db2.gz BPIIXEPGMIPQBS-NSHDSACASA-N 2 1 242.432 2.344 20 0 BEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]2C)C1 ZINC000381531625 710651178 /nfs/dbraw/zinc/65/11/78/710651178.db2.gz ZIPXNWAKXMKKGR-MGPQQGTHSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[C@H]2C)C1 ZINC000381531623 710651525 /nfs/dbraw/zinc/65/15/25/710651525.db2.gz ZIPXNWAKXMKKGR-HZSPNIEDSA-N 2 1 224.392 2.495 20 0 BEADMP CC/C=C/C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000384830621 710998536 /nfs/dbraw/zinc/99/85/36/710998536.db2.gz GTVIBDOPYJZRDY-HSRIHCBGSA-N 2 1 208.349 2.167 20 0 BEADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000384027251 710987944 /nfs/dbraw/zinc/98/79/44/710987944.db2.gz ZADJYYRMRJDQRX-FVCCEPFGSA-N 2 1 210.365 2.234 20 0 BEADMP C(C[NH2+]C1CC1)C[N@H+]1[C@H]2CC[C@@H]1CCC2 ZINC000380668795 712902268 /nfs/dbraw/zinc/90/22/68/712902268.db2.gz KHAIKQRZRLTUNQ-BETUJISGSA-N 2 1 208.349 2.145 20 0 BEADMP C[C@H]1CCSCC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000385583962 711014836 /nfs/dbraw/zinc/01/48/36/711014836.db2.gz XYKQVEMFCLBLRE-STQMWFEESA-N 2 1 242.432 2.204 20 0 BEADMP Cc1cccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000385556001 711015095 /nfs/dbraw/zinc/01/50/95/711015095.db2.gz YHHOCVURTVCOFY-RFBLXINOSA-N 2 1 242.366 2.081 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]CCC(C)(C)SC)C1 ZINC000385793969 711017339 /nfs/dbraw/zinc/01/73/39/711017339.db2.gz FMHPKKGVMWYSRC-GFCCVEGCSA-N 2 1 244.448 2.450 20 0 BEADMP CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H](C)C(C)C ZINC000390503923 711121481 /nfs/dbraw/zinc/12/14/81/711121481.db2.gz WBNIYYCVGDYJTA-UPJWGTAASA-N 2 1 212.381 2.480 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]CC2(C)CCCC2)CC1 ZINC000392784545 711152600 /nfs/dbraw/zinc/15/26/00/711152600.db2.gz UDPLZGJKNJNFSE-UHFFFAOYSA-N 2 1 222.376 2.418 20 0 BEADMP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccccc1 ZINC000392918050 711153351 /nfs/dbraw/zinc/15/33/51/711153351.db2.gz MGQDFPAPSYSTAQ-YHDIRRJESA-N 2 1 242.366 2.334 20 0 BEADMP CSC1(C[NH2+][C@H]2CCC[NH2+][C@H]2C)CCC1 ZINC000396541580 711352627 /nfs/dbraw/zinc/35/26/27/711352627.db2.gz ATDKCCVTFAWOSI-QWRGUYRKSA-N 2 1 228.405 2.002 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccsc1 ZINC000396592445 711359402 /nfs/dbraw/zinc/35/94/02/711359402.db2.gz UFTDPAXSQGAJDH-ZYHUDNBSSA-N 2 1 224.373 2.021 20 0 BEADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000399145564 711422394 /nfs/dbraw/zinc/42/23/94/711422394.db2.gz DKTBHRPLVKANDO-QNWHQSFQSA-N 2 1 210.365 2.234 20 0 BEADMP C[C@H](C[NH2+]Cc1ccc(Cl)nc1)C[NH+](C)C ZINC000381120532 710603345 /nfs/dbraw/zinc/60/33/45/710603345.db2.gz ILYRWWHRLKRBAJ-SNVBAGLBSA-N 2 1 241.766 2.022 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc[nH]1 ZINC000381304667 710618631 /nfs/dbraw/zinc/61/86/31/710618631.db2.gz JLVLVFRRXWQGPM-SDDRHHMPSA-N 2 1 221.348 2.148 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc[nH]1 ZINC000381304667 710618634 /nfs/dbraw/zinc/61/86/34/710618634.db2.gz JLVLVFRRXWQGPM-SDDRHHMPSA-N 2 1 221.348 2.148 20 0 BEADMP CC[C@H]1[C@@H](C)CC[N@H+]1CCC[NH2+]C1CC1 ZINC000383629483 710984828 /nfs/dbraw/zinc/98/48/28/710984828.db2.gz VPBUXESKMDTAMC-AAEUAGOBSA-N 2 1 210.365 2.249 20 0 BEADMP CCCC1(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396699214 711364674 /nfs/dbraw/zinc/36/46/74/711364674.db2.gz KNEFBDQJVKDCMM-NWDGAFQWSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1=CCCCC1 ZINC000396708645 711366564 /nfs/dbraw/zinc/36/65/64/711366564.db2.gz OJZIXGQYSRIUDW-DGCLKSJQSA-N 2 1 208.349 2.217 20 0 BEADMP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000396716189 711367219 /nfs/dbraw/zinc/36/72/19/711367219.db2.gz OLQONOCSKKREDJ-YVECIDJPSA-N 2 1 242.432 2.391 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1=CCCCC1 ZINC000396708644 711367649 /nfs/dbraw/zinc/36/76/49/711367649.db2.gz OJZIXGQYSRIUDW-AAEUAGOBSA-N 2 1 208.349 2.217 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000723082413 711501125 /nfs/dbraw/zinc/50/11/25/711501125.db2.gz YZUQQZHXUVDJBV-AGIUHOORSA-N 2 1 212.381 2.338 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000723081288 711501213 /nfs/dbraw/zinc/50/12/13/711501213.db2.gz UIEBQOGSYPRRCZ-FRRDWIJNSA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000723132744 711506582 /nfs/dbraw/zinc/50/65/82/711506582.db2.gz CMXYLIOAFQATHT-APIJFGDWSA-N 2 1 236.403 2.497 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723670058 711532994 /nfs/dbraw/zinc/53/29/94/711532994.db2.gz NUBIUVPKHFTHBR-CYBMUJFWSA-N 2 1 232.371 2.420 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@H](CC[NH3+])C2)c1C ZINC000723670466 711533037 /nfs/dbraw/zinc/53/30/37/711533037.db2.gz SNMFTLVJICEKDX-AWEZNQCLSA-N 2 1 232.371 2.474 20 0 BEADMP CCOc1cccc(C[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000723690148 711533916 /nfs/dbraw/zinc/53/39/16/711533916.db2.gz MLQPVVYUKPPMGI-ZDUSSCGKSA-N 2 1 248.370 2.256 20 0 BEADMP C[C@H](c1ccccn1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723891848 711544035 /nfs/dbraw/zinc/54/40/35/711544035.db2.gz OMSAPIJMLRVVPH-JHJVBQTASA-N 2 1 233.359 2.059 20 0 BEADMP C[C@@H](c1cccnc1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723892584 711544259 /nfs/dbraw/zinc/54/42/59/711544259.db2.gz SCZOCLUOTOVCOU-MBNYWOFBSA-N 2 1 233.359 2.059 20 0 BEADMP Cc1ccsc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723892265 711544296 /nfs/dbraw/zinc/54/42/96/711544296.db2.gz VRKBFHBOBZXXRT-VXGBXAGGSA-N 2 1 238.400 2.473 20 0 BEADMP C[NH+]1CCC([NH2+]CCC2CC=CC2)CC1 ZINC000724200105 711568962 /nfs/dbraw/zinc/56/89/62/711568962.db2.gz KPYXQXHRDQVMIJ-UHFFFAOYSA-N 2 1 208.349 2.027 20 0 BEADMP CCc1ccccc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000052204671 711607666 /nfs/dbraw/zinc/60/76/66/711607666.db2.gz MXNRFBFMXMYBMP-GFCCVEGCSA-N 2 1 218.344 2.030 20 0 BEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000925518804 711695909 /nfs/dbraw/zinc/69/59/09/711695909.db2.gz KGHBHWUIJVJFMW-ZDUSSCGKSA-N 2 1 236.334 2.098 20 0 BEADMP C(C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)C1CCCC1 ZINC000335009507 711719668 /nfs/dbraw/zinc/71/96/68/711719668.db2.gz OOSYJZQSDHVLFQ-CQSZACIVSA-N 2 1 222.376 2.395 20 0 BEADMP C(C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)C1CCCC1 ZINC000335009507 711719670 /nfs/dbraw/zinc/71/96/70/711719670.db2.gz OOSYJZQSDHVLFQ-CQSZACIVSA-N 2 1 222.376 2.395 20 0 BEADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000337340788 711774758 /nfs/dbraw/zinc/77/47/58/711774758.db2.gz PSRDNUNGASUZIF-MGPQQGTHSA-N 2 1 240.391 2.016 20 0 BEADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000337340788 711774760 /nfs/dbraw/zinc/77/47/60/711774760.db2.gz PSRDNUNGASUZIF-MGPQQGTHSA-N 2 1 240.391 2.016 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000050245181 711789142 /nfs/dbraw/zinc/78/91/42/711789142.db2.gz KVPHBMNUXOBWQQ-LLVKDONJSA-N 2 1 230.311 2.213 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000125511059 711794303 /nfs/dbraw/zinc/79/43/03/711794303.db2.gz KMFXUTQRKPQGMA-CYBMUJFWSA-N 2 1 244.382 2.346 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCOc3ccccc3C2)C1 ZINC000227802569 711832949 /nfs/dbraw/zinc/83/29/49/711832949.db2.gz WTENUTPPORALLC-GXTWGEPZSA-N 2 1 246.354 2.008 20 0 BEADMP CC1(C)CC(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000530219201 711937912 /nfs/dbraw/zinc/93/79/12/711937912.db2.gz OPDSMGFERGUNJT-HNNXBMFYSA-N 2 1 236.403 2.498 20 0 BEADMP C[C@H]1C[N@H+](Cc2cc(Cl)cs2)C[C@H]1C[NH3+] ZINC000708862481 711974385 /nfs/dbraw/zinc/97/43/85/711974385.db2.gz HEQORARWJNFYEJ-DTWKUNHWSA-N 2 1 244.791 2.428 20 0 BEADMP C[C@H]1C[N@@H+](Cc2cc(Cl)cs2)C[C@H]1C[NH3+] ZINC000708862481 711974387 /nfs/dbraw/zinc/97/43/87/711974387.db2.gz HEQORARWJNFYEJ-DTWKUNHWSA-N 2 1 244.791 2.428 20 0 BEADMP C[C@@H](C[N@H+]1CCCO[C@H](C[NH3+])C1)CC(C)(C)C ZINC000709179873 711978130 /nfs/dbraw/zinc/97/81/30/711978130.db2.gz VCHZTLBBVNVQNA-CHWSQXEVSA-N 2 1 242.407 2.108 20 0 BEADMP CSCC[C@H](C)[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000700402476 711992448 /nfs/dbraw/zinc/99/24/48/711992448.db2.gz CFZNAAFXTJZHGK-STQMWFEESA-N 2 1 244.448 2.450 20 0 BEADMP CSCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000700402469 711992533 /nfs/dbraw/zinc/99/25/33/711992533.db2.gz CFZNAAFXTJZHGK-CHWSQXEVSA-N 2 1 244.448 2.450 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702054621 712037272 /nfs/dbraw/zinc/03/72/72/712037272.db2.gz YDSQZDMTDHDZLW-MELADBBJSA-N 2 1 224.392 2.210 20 0 BEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000702104033 712039031 /nfs/dbraw/zinc/03/90/31/712039031.db2.gz IRXMOXCRMOAZRW-JKSUJKDBSA-N 2 1 244.382 2.161 20 0 BEADMP C(C[NH2+]C1CC1)C[N@H+]1CCCC2(CC2)CC1 ZINC000702542378 712055116 /nfs/dbraw/zinc/05/51/16/712055116.db2.gz FSJJKDOTKPIHSE-UHFFFAOYSA-N 2 1 222.376 2.395 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCC(F)(F)CC2)C1 ZINC000702813997 712061295 /nfs/dbraw/zinc/06/12/95/712061295.db2.gz XPCXKHZGWNBQGC-WDEREUQCSA-N 2 1 232.318 2.235 20 0 BEADMP C[C@@H]1CCCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000703211909 712068323 /nfs/dbraw/zinc/06/83/23/712068323.db2.gz HRWDVYVROHUVLB-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc2c1OCC2 ZINC000703209211 712068523 /nfs/dbraw/zinc/06/85/23/712068523.db2.gz KOJYZBOZIYUXTP-LBPRGKRZSA-N 2 1 248.370 2.051 20 0 BEADMP CCC[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000703447521 712075837 /nfs/dbraw/zinc/07/58/37/712075837.db2.gz LVZWXAISRKHMIO-FRRDWIJNSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@@H]1CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000703804424 712088411 /nfs/dbraw/zinc/08/84/11/712088411.db2.gz GHLFIXXZWFNYSY-ODWCKFRGSA-N 2 1 208.349 2.001 20 0 BEADMP C[N@H+](Cc1ccc(Cl)cn1)CC(C)(C)C[NH3+] ZINC000703859426 712090735 /nfs/dbraw/zinc/09/07/35/712090735.db2.gz IALQCSKTRZWPFR-UHFFFAOYSA-N 2 1 241.766 2.152 20 0 BEADMP C[N@@H+](Cc1ccc(Cl)cn1)CC(C)(C)C[NH3+] ZINC000703859426 712090737 /nfs/dbraw/zinc/09/07/37/712090737.db2.gz IALQCSKTRZWPFR-UHFFFAOYSA-N 2 1 241.766 2.152 20 0 BEADMP CCCCCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000705427782 712131272 /nfs/dbraw/zinc/13/12/72/712131272.db2.gz XGQQELFVIJMWER-KGLIPLIRSA-N 2 1 242.407 2.002 20 0 BEADMP CCCCCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000705427782 712131273 /nfs/dbraw/zinc/13/12/73/712131273.db2.gz XGQQELFVIJMWER-KGLIPLIRSA-N 2 1 242.407 2.002 20 0 BEADMP FC1(F)CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000705778102 712137192 /nfs/dbraw/zinc/13/71/92/712137192.db2.gz IESPMSQIPFJEIO-GFCCVEGCSA-N 2 1 246.345 2.497 20 0 BEADMP CC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)[C@@H](C)C(C)C ZINC000706480995 712147179 /nfs/dbraw/zinc/14/71/79/712147179.db2.gz NVXUFOSJNOKPMN-AGIUHOORSA-N 2 1 212.381 2.208 20 0 BEADMP CSC1CC([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC000706914900 712158308 /nfs/dbraw/zinc/15/83/08/712158308.db2.gz DASCNJSKGFHZDZ-UHFFFAOYSA-N 2 1 242.432 2.344 20 0 BEADMP CC1(C)CO[C@H](C[N@@H+]2CCCCC[C@H]([NH3+])C2)C1 ZINC000708337913 712189014 /nfs/dbraw/zinc/18/90/14/712189014.db2.gz QAWJTSAPKBPNFJ-STQMWFEESA-N 2 1 240.391 2.005 20 0 BEADMP CC1(C)CO[C@H](C[N@H+]2CCCCC[C@H]([NH3+])C2)C1 ZINC000708337913 712189015 /nfs/dbraw/zinc/18/90/15/712189015.db2.gz QAWJTSAPKBPNFJ-STQMWFEESA-N 2 1 240.391 2.005 20 0 BEADMP CCC[C@H]1CCC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000708440365 712194794 /nfs/dbraw/zinc/19/47/94/712194794.db2.gz JXVRJFXEUNEQRW-WDEREUQCSA-N 2 1 234.334 2.481 20 0 BEADMP CCC[C@H]1CCC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000708440365 712194796 /nfs/dbraw/zinc/19/47/96/712194796.db2.gz JXVRJFXEUNEQRW-WDEREUQCSA-N 2 1 234.334 2.481 20 0 BEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(F)c1)C2 ZINC000709835220 712229293 /nfs/dbraw/zinc/22/92/93/712229293.db2.gz HYHDLQRWDBBAPV-YUTCNCBUSA-N 2 1 234.318 2.137 20 0 BEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC000709862450 712229785 /nfs/dbraw/zinc/22/97/85/712229785.db2.gz NIKZKNRVMNGQPH-DXUDUQDWSA-N 2 1 234.387 2.234 20 0 BEADMP C1=CCC(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000709919933 712232519 /nfs/dbraw/zinc/23/25/19/712232519.db2.gz OAGSLJOBUOKMOK-CQSZACIVSA-N 2 1 220.360 2.028 20 0 BEADMP C[C@@H](CC1CCC1)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000710303319 712251059 /nfs/dbraw/zinc/25/10/59/712251059.db2.gz LLFULKYSPCUVSN-WCBMZHEXSA-N 2 1 220.307 2.137 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])Cc1cccc(O)c1 ZINC000710713826 712254759 /nfs/dbraw/zinc/25/47/59/712254759.db2.gz LASNPXYPKKBRSS-UHFFFAOYSA-N 2 1 236.359 2.343 20 0 BEADMP C[C@@]1(C[N@H+]2CCC[C@@H](CF)C2)CCC[NH2+]C1 ZINC000711420185 712299234 /nfs/dbraw/zinc/29/92/34/712299234.db2.gz XIPXAVXIPUFLFF-QWHCGFSZSA-N 2 1 228.355 2.058 20 0 BEADMP FC[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000711442186 712300909 /nfs/dbraw/zinc/30/09/09/712300909.db2.gz IORZAUXUQBILBP-RLAWYHOSSA-N 2 1 240.366 2.199 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C=CCC2)CC[N@H+]1C ZINC000711666887 712318689 /nfs/dbraw/zinc/31/86/89/712318689.db2.gz JGDDTCREHRTUFF-AGIUHOORSA-N 2 1 208.349 2.025 20 0 BEADMP C1=C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000711719517 712319206 /nfs/dbraw/zinc/31/92/06/712319206.db2.gz NLZVNXMHPCJCER-MJBXVCDLSA-N 2 1 220.360 2.169 20 0 BEADMP CC[C@@H]1CCC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000379783102 712398774 /nfs/dbraw/zinc/39/87/74/712398774.db2.gz GUGLZUIIEOBDGJ-NXEZZACHSA-N 2 1 220.307 2.091 20 0 BEADMP C([C@H]1CCC[NH2+]1)[N@@H+]1CCC2(CCCC2)C1 ZINC000379782588 712398840 /nfs/dbraw/zinc/39/88/40/712398840.db2.gz OJRVDPPPHPFYLG-GFCCVEGCSA-N 2 1 208.349 2.005 20 0 BEADMP C([C@H]1CCC[NH2+]1)[N@H+]1CCC2(CCCC2)C1 ZINC000379782588 712398841 /nfs/dbraw/zinc/39/88/41/712398841.db2.gz OJRVDPPPHPFYLG-GFCCVEGCSA-N 2 1 208.349 2.005 20 0 BEADMP CC[N@H+]1CC[C@H]1CNc1cc[nH+]c2ccccc12 ZINC000712594797 712436071 /nfs/dbraw/zinc/43/60/71/712436071.db2.gz MIXQZSRHFHXZSW-LBPRGKRZSA-N 2 1 241.338 2.163 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000712692081 712448265 /nfs/dbraw/zinc/44/82/65/712448265.db2.gz IETXOMSSCWPXKB-GHYVTOPFSA-N 2 1 222.376 2.234 20 0 BEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000712692079 712448318 /nfs/dbraw/zinc/44/83/18/712448318.db2.gz IETXOMSSCWPXKB-ASEORRQLSA-N 2 1 222.376 2.234 20 0 BEADMP C=C/C=C\CC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000713700478 712469326 /nfs/dbraw/zinc/46/93/26/712469326.db2.gz CENYBCZWMXCIQY-CIUCYMIDSA-N 2 1 208.349 2.178 20 0 BEADMP C=C/C=C/CC[N@H+]1CCCC[C@@H]1C[NH2+]C ZINC000713731263 712470675 /nfs/dbraw/zinc/47/06/75/712470675.db2.gz FBKQLZXXRZCHFR-MUBLQREKSA-N 2 1 208.349 2.193 20 0 BEADMP C=C/C=C/CC[N@@H+]1CCCC[C@@H]1C[NH2+]C ZINC000713731263 712470677 /nfs/dbraw/zinc/47/06/77/712470677.db2.gz FBKQLZXXRZCHFR-MUBLQREKSA-N 2 1 208.349 2.193 20 0 BEADMP CCC1([NH3+])CC[NH+](Cc2cccc(O)c2)CC1 ZINC000714749664 712496699 /nfs/dbraw/zinc/49/66/99/712496699.db2.gz HWIHUFJZZCJLTI-UHFFFAOYSA-N 2 1 234.343 2.096 20 0 BEADMP CCC1([NH3+])CC[NH+](Cc2ccc(C)nc2)CC1 ZINC000714755798 712497667 /nfs/dbraw/zinc/49/76/67/712497667.db2.gz CCIMMAOCMBDEOL-UHFFFAOYSA-N 2 1 233.359 2.093 20 0 BEADMP CCC1([NH3+])CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000714759771 712498274 /nfs/dbraw/zinc/49/82/74/712498274.db2.gz SITIRUYLKPKARF-UHFFFAOYSA-N 2 1 248.370 2.399 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000714920787 712499590 /nfs/dbraw/zinc/49/95/90/712499590.db2.gz RUMAFGFFKNOOJS-MCIONIFRSA-N 2 1 222.376 2.106 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000714920787 712499591 /nfs/dbraw/zinc/49/95/91/712499591.db2.gz RUMAFGFFKNOOJS-MCIONIFRSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714815057 712500881 /nfs/dbraw/zinc/50/08/81/712500881.db2.gz YYAJOPGHISXIEK-MYPMTAMASA-N 2 1 236.403 2.482 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714868837 712502352 /nfs/dbraw/zinc/50/23/52/712502352.db2.gz YTLSNHHSWTYGFA-BNOWGMLFSA-N 2 1 222.376 2.093 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714866278 712502612 /nfs/dbraw/zinc/50/26/12/712502612.db2.gz PVSLYSYNIYFFQU-CFVMTHIKSA-N 2 1 236.403 2.354 20 0 BEADMP C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)[C@@H]1C[C@H]1C1CC1 ZINC000714873855 712502637 /nfs/dbraw/zinc/50/26/37/712502637.db2.gz XIQNMHSQJSBMDV-CABCVRRESA-N 2 1 248.414 2.498 20 0 BEADMP Cc1coc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000718070598 712740811 /nfs/dbraw/zinc/74/08/11/712740811.db2.gz PBNSQBXZMQGTIM-CYBMUJFWSA-N 2 1 236.359 2.410 20 0 BEADMP Cc1coc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000718070598 712740813 /nfs/dbraw/zinc/74/08/13/712740813.db2.gz PBNSQBXZMQGTIM-CYBMUJFWSA-N 2 1 236.359 2.410 20 0 BEADMP CC(F)(F)CCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000718583528 712775400 /nfs/dbraw/zinc/77/54/00/712775400.db2.gz KRSJONZQHOAUDX-SDDRHHMPSA-N 2 1 246.345 2.481 20 0 BEADMP CC(C)C[C@@H](C)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720863124 712871266 /nfs/dbraw/zinc/87/12/66/712871266.db2.gz YDSQZDMTDHDZLW-HZSPNIEDSA-N 2 1 224.392 2.210 20 0 BEADMP CCCCCC[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000720902197 712876176 /nfs/dbraw/zinc/87/61/76/712876176.db2.gz DVRFOCVNVHJZCV-CHWSQXEVSA-N 2 1 210.365 2.393 20 0 BEADMP CCCCCC[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000720902197 712876178 /nfs/dbraw/zinc/87/61/78/712876178.db2.gz DVRFOCVNVHJZCV-CHWSQXEVSA-N 2 1 210.365 2.393 20 0 BEADMP C(C1CCCC1)[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000720905516 712876401 /nfs/dbraw/zinc/87/64/01/712876401.db2.gz ZFBLURCNELDSJW-OLZOCXBDSA-N 2 1 208.349 2.003 20 0 BEADMP C(C1CCCC1)[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000720905516 712876403 /nfs/dbraw/zinc/87/64/03/712876403.db2.gz ZFBLURCNELDSJW-OLZOCXBDSA-N 2 1 208.349 2.003 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CC2(C)CC(F)(F)C2)CC[N@H+]1C ZINC000720934288 712880228 /nfs/dbraw/zinc/88/02/28/712880228.db2.gz FUVCJNYCPMLIEE-QWRGUYRKSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1Cn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000721040641 712888328 /nfs/dbraw/zinc/88/83/28/712888328.db2.gz WEIQAKCCCXTBSO-XQHKEYJVSA-N 2 1 247.386 2.109 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1[nH+]ccc2[nH]ccc21 ZINC000663763896 719156758 /nfs/dbraw/zinc/15/67/58/719156758.db2.gz ITUMRTUHPBBCCF-GHMZBOCLSA-N 2 1 244.342 2.092 20 0 BEADMP Cl/C=C\C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000692954042 957043755 /nfs/dbraw/zinc/04/37/55/957043755.db2.gz GNOLVKQRLPFNFF-IUAZIXFQSA-N 2 1 242.794 2.451 20 0 BEADMP Cc1cc[nH+]c(N2CCC(C[NH+](C)C)CC2)c1 ZINC000335684387 721942004 /nfs/dbraw/zinc/94/20/04/721942004.db2.gz POUGMNOZAVECKG-UHFFFAOYSA-N 2 1 233.359 2.168 20 0 BEADMP Cc1c[nH+]c(N2CCC(C[NH+](C)C)CC2)c(C)c1 ZINC001165042944 721945467 /nfs/dbraw/zinc/94/54/67/721945467.db2.gz ZYENVJXMWGMQCS-UHFFFAOYSA-N 2 1 247.386 2.476 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CC2(C)CCCC2)C[NH2+]1 ZINC000398946730 958453104 /nfs/dbraw/zinc/45/31/04/958453104.db2.gz BHFLGPNYKDAJOA-VXGBXAGGSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693567019 958858417 /nfs/dbraw/zinc/85/84/17/958858417.db2.gz FYINJYVTAVPRMX-BZPMIXESSA-N 2 1 218.344 2.417 20 0 BEADMP CC[C@@H]1CCCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000693577150 958868231 /nfs/dbraw/zinc/86/82/31/958868231.db2.gz BWMHRGIQKFVTHU-FRRDWIJNSA-N 2 1 210.365 2.378 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000689853008 959345317 /nfs/dbraw/zinc/34/53/17/959345317.db2.gz RQUBYOQKQUMQMK-MGPQQGTHSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000689853008 959345329 /nfs/dbraw/zinc/34/53/29/959345329.db2.gz RQUBYOQKQUMQMK-MGPQQGTHSA-N 2 1 242.407 2.120 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1(Cl)CC1 ZINC000695655873 960326697 /nfs/dbraw/zinc/32/66/97/960326697.db2.gz OCLSTRVJNWHJLR-SRVKXCTJSA-N 2 1 242.794 2.363 20 0 BEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1(Cl)CC1 ZINC000695657772 960327292 /nfs/dbraw/zinc/32/72/92/960327292.db2.gz XHXFIAFMCCOQSU-JTQLQIEISA-N 2 1 242.794 2.363 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1(Cl)CC1 ZINC000695654754 960327311 /nfs/dbraw/zinc/32/73/11/960327311.db2.gz JGADJIDWGKDPFY-MNOVXSKESA-N 2 1 242.794 2.220 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1(Cl)CC1 ZINC000695654753 960327712 /nfs/dbraw/zinc/32/77/12/960327712.db2.gz JGADJIDWGKDPFY-GHMZBOCLSA-N 2 1 242.794 2.220 20 0 BEADMP Cc1cc[nH+]c(C)c1N[C@H](C)C[NH+](C)C ZINC001163782731 965586891 /nfs/dbraw/zinc/58/68/91/965586891.db2.gz PIPLHKPXONILCR-SNVBAGLBSA-N 2 1 207.321 2.060 20 0 BEADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000692976462 1165774111 /nfs/dbraw/zinc/77/41/11/1165774111.db2.gz SZSPASFJVUOROL-NWDGAFQWSA-N 2 1 246.345 2.481 20 0 BEADMP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000692976462 1165774116 /nfs/dbraw/zinc/77/41/16/1165774116.db2.gz SZSPASFJVUOROL-NWDGAFQWSA-N 2 1 246.345 2.481 20 0 BEADMP CC(C)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CC1 ZINC000084125752 966925902 /nfs/dbraw/zinc/92/59/02/966925902.db2.gz KWQRWQLHMKVIFH-ZDUSSCGKSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@]1([NH3+])CCC[N@@H+](CCC(F)(F)F)CC1 ZINC001205254803 967443667 /nfs/dbraw/zinc/44/36/67/967443667.db2.gz BMIHDERNEKAGOA-VIFPVBQESA-N 2 1 224.270 2.142 20 0 BEADMP CC[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000146962941 1165875673 /nfs/dbraw/zinc/87/56/73/1165875673.db2.gz ZOWDIFWFDKXUNU-ZDUSSCGKSA-N 2 1 210.365 2.347 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+]C2CCCCC2)CC1 ZINC000075135658 1165886854 /nfs/dbraw/zinc/88/68/54/1165886854.db2.gz NGBRGWRBHKHQDU-ZDUSSCGKSA-N 2 1 210.365 2.393 20 0 BEADMP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000070628978 1165939415 /nfs/dbraw/zinc/93/94/15/1165939415.db2.gz ROPAHKDLQPTULG-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000050249095 1165989815 /nfs/dbraw/zinc/98/98/15/1165989815.db2.gz ZMKCZEBQAOBWLY-LBPRGKRZSA-N 2 1 241.338 2.015 20 0 BEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccnc2C)C1 ZINC000236788440 1166002360 /nfs/dbraw/zinc/00/23/60/1166002360.db2.gz IKRBNZVGINLHGW-CQSZACIVSA-N 2 1 247.386 2.212 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccnc2C)C1 ZINC000236788440 1166002369 /nfs/dbraw/zinc/00/23/69/1166002369.db2.gz IKRBNZVGINLHGW-CQSZACIVSA-N 2 1 247.386 2.212 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001207283590 968716180 /nfs/dbraw/zinc/71/61/80/968716180.db2.gz AHNKKKVETOFFJT-NWDGAFQWSA-N 2 1 210.365 2.059 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001207282850 968717050 /nfs/dbraw/zinc/71/70/50/968717050.db2.gz WNBJPSXWBSPBNP-SDDRHHMPSA-N 2 1 228.355 2.007 20 0 BEADMP CO[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)[C@H](C)C1 ZINC001207284144 968717398 /nfs/dbraw/zinc/71/73/98/968717398.db2.gz KIERBJURAMPPAC-CHWSQXEVSA-N 2 1 242.407 2.074 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000398971073 1166116949 /nfs/dbraw/zinc/11/69/49/1166116949.db2.gz WBDZXLQYWUOUOZ-LPWJVIDDSA-N 2 1 210.365 2.295 20 0 BEADMP C[NH+]1CCC(CC[N@H+]2CCC(C)(C)C2)CC1 ZINC001207484483 968797091 /nfs/dbraw/zinc/79/70/91/968797091.db2.gz MDHFUYHCYFWEIG-UHFFFAOYSA-N 2 1 224.392 2.450 20 0 BEADMP C[N@@H+](CCC1CC[NH+](C)CC1)CC1CCC1 ZINC001207483697 968797111 /nfs/dbraw/zinc/79/71/11/968797111.db2.gz HJYSYGCSKTWYTQ-UHFFFAOYSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@H]1C[N@H+](Cc2cc(C)cc(C)n2)CC[C@@H]1[NH3+] ZINC000723876599 1166147343 /nfs/dbraw/zinc/14/73/43/1166147343.db2.gz LHFNBQRJCXEPRS-ZFWWWQNUSA-N 2 1 247.386 2.258 20 0 BEADMP CC[C@H]1C[N@@H+](Cc2cc(C)cc(C)n2)CC[C@@H]1[NH3+] ZINC000723876599 1166147346 /nfs/dbraw/zinc/14/73/46/1166147346.db2.gz LHFNBQRJCXEPRS-ZFWWWQNUSA-N 2 1 247.386 2.258 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CCc2ccccc2F)C[NH2+]1 ZINC000399203737 1166171125 /nfs/dbraw/zinc/17/11/25/1166171125.db2.gz UYZJLSPEIGSIEN-DGCLKSJQSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CCc2ccccc2F)C[NH2+]1 ZINC000399203739 1166171303 /nfs/dbraw/zinc/17/13/03/1166171303.db2.gz UYZJLSPEIGSIEN-YPMHNXCESA-N 2 1 236.334 2.098 20 0 BEADMP C[N@@H+](CC1CCC1)CC1(C)CC[NH+](C)CC1 ZINC001208113287 969007918 /nfs/dbraw/zinc/00/79/18/969007918.db2.gz GZEIBTAMLHDLAA-UHFFFAOYSA-N 2 1 224.392 2.450 20 0 BEADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H](CF)C2)CC1 ZINC001208113284 969009207 /nfs/dbraw/zinc/00/92/07/969009207.db2.gz GTTURVJKFGCBMR-ZDUSSCGKSA-N 2 1 242.382 2.400 20 0 BEADMP C1CCC([N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC000129598168 1166204820 /nfs/dbraw/zinc/20/48/20/1166204820.db2.gz LFZNZAHWLOLOBD-DGCLKSJQSA-N 2 1 208.349 2.003 20 0 BEADMP C1CCC([N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC000129598168 1166204829 /nfs/dbraw/zinc/20/48/29/1166204829.db2.gz LFZNZAHWLOLOBD-DGCLKSJQSA-N 2 1 208.349 2.003 20 0 BEADMP Cc1cc(N2CCC3(CC[N@H+](C)C3)CC2)cc[nH+]1 ZINC000224245508 1166219179 /nfs/dbraw/zinc/21/91/79/1166219179.db2.gz YJKGMOJCCFIBQV-UHFFFAOYSA-N 2 1 245.370 2.312 20 0 BEADMP CSCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000228873520 1166223739 /nfs/dbraw/zinc/22/37/39/1166223739.db2.gz MUPGEYUWBCQWLZ-NEPJUHHUSA-N 2 1 230.421 2.059 20 0 BEADMP C[C@H]1CC[N@@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208185290 969119277 /nfs/dbraw/zinc/11/92/77/969119277.db2.gz ZPVHCWKQHZQQOP-ZDUSSCGKSA-N 2 1 224.392 2.450 20 0 BEADMP CC(C)Oc1cc[nH+]c(N[C@@H](C)C[NH+](C)C)c1 ZINC001155915227 969123015 /nfs/dbraw/zinc/12/30/15/969123015.db2.gz FOVNISIESNWWFS-NSHDSACASA-N 2 1 237.347 2.231 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208604154 969158030 /nfs/dbraw/zinc/15/80/30/969158030.db2.gz LRJJKCUKDQCIGZ-OLZOCXBDSA-N 2 1 210.365 2.060 20 0 BEADMP C[C@@H]1CCC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208604154 969158033 /nfs/dbraw/zinc/15/80/33/969158033.db2.gz LRJJKCUKDQCIGZ-OLZOCXBDSA-N 2 1 210.365 2.060 20 0 BEADMP C[C@@H]1CCC[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208604154 969158038 /nfs/dbraw/zinc/15/80/38/969158038.db2.gz LRJJKCUKDQCIGZ-OLZOCXBDSA-N 2 1 210.365 2.060 20 0 BEADMP CC[C@@H]1CC[N@@H+](CC2CC[NH+](CC)CC2)C1 ZINC001208604760 969158079 /nfs/dbraw/zinc/15/80/79/969158079.db2.gz UBOKANDDMXFNEL-CYBMUJFWSA-N 2 1 224.392 2.450 20 0 BEADMP CCO[C@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207285217 1166274440 /nfs/dbraw/zinc/27/44/40/1166274440.db2.gz DFMZUJRECBXWFE-ZDUSSCGKSA-N 2 1 242.407 2.075 20 0 BEADMP CCC(=O)C(C)(C)C[NH+]1CCC([NH+](C)C)CC1 ZINC001208915742 969300014 /nfs/dbraw/zinc/30/00/14/969300014.db2.gz JEMYKLFBVNRJNW-UHFFFAOYSA-N 2 1 240.391 2.018 20 0 BEADMP [NH3+]CCC[N@@H+](C1CCCCC1)[C@H]1CCCOC1 ZINC000224833600 1166336511 /nfs/dbraw/zinc/33/65/11/1166336511.db2.gz JZLVPYNVCSLTOD-AWEZNQCLSA-N 2 1 240.391 2.149 20 0 BEADMP CSCCC[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000300904946 1166362173 /nfs/dbraw/zinc/36/21/73/1166362173.db2.gz WLORGGYHVGFJGT-GFCCVEGCSA-N 2 1 230.421 2.061 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCC1CC1)C2 ZINC001169098600 969389627 /nfs/dbraw/zinc/38/96/27/969389627.db2.gz JOJCVAXEZFOTBJ-XYYAHUGASA-N 2 1 208.349 2.001 20 0 BEADMP CCC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099621 969389832 /nfs/dbraw/zinc/38/98/32/969389832.db2.gz CPXDLEUJNIEIRU-ZDEQEGDKSA-N 2 1 210.365 2.390 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CC(C)(C)C1)C2 ZINC001169101514 969398242 /nfs/dbraw/zinc/39/82/42/969398242.db2.gz TVMAUXHXXSPYDW-UOJUARBOSA-N 2 1 222.376 2.390 20 0 BEADMP CC(C)CC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000250599426 1166413031 /nfs/dbraw/zinc/41/30/31/1166413031.db2.gz QOFSURIPVBSVAS-QWHCGFSZSA-N 2 1 210.365 2.106 20 0 BEADMP [NH3+]CCCC[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000250793876 1166430845 /nfs/dbraw/zinc/43/08/45/1166430845.db2.gz ABKZHWMVHLQCIZ-OLZOCXBDSA-N 2 1 210.365 2.237 20 0 BEADMP C[N@@H+]1CCC[C@@H]([NH+]2CC3(C2)CC(F)(F)C3)CC1 ZINC001254516010 969690889 /nfs/dbraw/zinc/69/08/89/969690889.db2.gz IOOQELXPCZQYSJ-LLVKDONJSA-N 2 1 244.329 2.202 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2CC3(C2)CC(F)(F)C3)CC1 ZINC001254516010 969690898 /nfs/dbraw/zinc/69/08/98/969690898.db2.gz IOOQELXPCZQYSJ-LLVKDONJSA-N 2 1 244.329 2.202 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c1F ZINC000251011224 1166483781 /nfs/dbraw/zinc/48/37/81/1166483781.db2.gz XLNKQRQYYCRGEF-YPMHNXCESA-N 2 1 236.334 2.446 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c1F ZINC000251011224 1166483784 /nfs/dbraw/zinc/48/37/84/1166483784.db2.gz XLNKQRQYYCRGEF-YPMHNXCESA-N 2 1 236.334 2.446 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1F ZINC000251011221 1166483851 /nfs/dbraw/zinc/48/38/51/1166483851.db2.gz XLNKQRQYYCRGEF-DGCLKSJQSA-N 2 1 236.334 2.446 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1F ZINC000251011221 1166483853 /nfs/dbraw/zinc/48/38/53/1166483853.db2.gz XLNKQRQYYCRGEF-DGCLKSJQSA-N 2 1 236.334 2.446 20 0 BEADMP C[N@@H+](C1CCCC1)[C@H]1CCC[NH+](C)CC1 ZINC001254524595 969707935 /nfs/dbraw/zinc/70/79/35/969707935.db2.gz XJXSHMLPJFIALP-ZDUSSCGKSA-N 2 1 210.365 2.345 20 0 BEADMP C[NH+](C1CCCC1)[C@H]1CCC[N@H+](C)CC1 ZINC001254524595 969707942 /nfs/dbraw/zinc/70/79/42/969707942.db2.gz XJXSHMLPJFIALP-ZDUSSCGKSA-N 2 1 210.365 2.345 20 0 BEADMP C[NH+](C1CCCC1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254524595 969707950 /nfs/dbraw/zinc/70/79/50/969707950.db2.gz XJXSHMLPJFIALP-ZDUSSCGKSA-N 2 1 210.365 2.345 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2C3CCC2CC3)CC1 ZINC001254523360 969708467 /nfs/dbraw/zinc/70/84/67/969708467.db2.gz OLVLLZXVEPZPAK-HIFPTAJRSA-N 2 1 208.349 2.098 20 0 BEADMP C[C@H]1C[N@@H+]([C@H]2CCC[NH+](C)CC2)C2(CC2)C1 ZINC001254530047 969729998 /nfs/dbraw/zinc/72/99/98/969729998.db2.gz UDMHKGVOPLFVEW-OLZOCXBDSA-N 2 1 222.376 2.345 20 0 BEADMP C[C@H]1C[NH+]([C@H]2CCC[N@H+](C)CC2)C2(CC2)C1 ZINC001254530047 969730005 /nfs/dbraw/zinc/73/00/05/969730005.db2.gz UDMHKGVOPLFVEW-OLZOCXBDSA-N 2 1 222.376 2.345 20 0 BEADMP C[C@H]1C[NH+]([C@H]2CCC[N@@H+](C)CC2)C2(CC2)C1 ZINC001254530047 969730019 /nfs/dbraw/zinc/73/00/19/969730019.db2.gz UDMHKGVOPLFVEW-OLZOCXBDSA-N 2 1 222.376 2.345 20 0 BEADMP C[N@@H+]1CCC[C@H]([NH+](CC2CC2)C2CC2)CC1 ZINC001254532793 969733856 /nfs/dbraw/zinc/73/38/56/969733856.db2.gz XBOCCEADBYEMHB-ZDUSSCGKSA-N 2 1 222.376 2.345 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+](CC2CC2)C2CC2)CC1 ZINC001254532793 969733862 /nfs/dbraw/zinc/73/38/62/969733862.db2.gz XBOCCEADBYEMHB-ZDUSSCGKSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@H]([N@H+](CC2CC2)C2CC2)CC1 ZINC001254532793 969733868 /nfs/dbraw/zinc/73/38/68/969733868.db2.gz XBOCCEADBYEMHB-ZDUSSCGKSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC[C@H]([N@@H+](CC2CC2)C2CC2)CC1 ZINC001254532793 969733873 /nfs/dbraw/zinc/73/38/73/969733873.db2.gz XBOCCEADBYEMHB-ZDUSSCGKSA-N 2 1 222.376 2.345 20 0 BEADMP C[C@@H]1C[N@@H+]([C@H]2CCC[NH+](C)CC2)C2(CC2)C1 ZINC001254530049 969733891 /nfs/dbraw/zinc/73/38/91/969733891.db2.gz UDMHKGVOPLFVEW-STQMWFEESA-N 2 1 222.376 2.345 20 0 BEADMP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](C)CC2)C2(CC2)C1 ZINC001254530049 969733901 /nfs/dbraw/zinc/73/39/01/969733901.db2.gz UDMHKGVOPLFVEW-STQMWFEESA-N 2 1 222.376 2.345 20 0 BEADMP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](C)CC2)C2(CC2)C1 ZINC001254530049 969733912 /nfs/dbraw/zinc/73/39/12/969733912.db2.gz UDMHKGVOPLFVEW-STQMWFEESA-N 2 1 222.376 2.345 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCC(F)(F)C2)CC1 ZINC000309538355 1166644908 /nfs/dbraw/zinc/64/49/08/1166644908.db2.gz FYUCDCBDIAIBPC-MNOVXSKESA-N 2 1 232.318 2.248 20 0 BEADMP COCC(C)(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255666031 970447868 /nfs/dbraw/zinc/44/78/68/970447868.db2.gz PPRCIIGYOGPLSW-YHWZYXNKSA-N 2 1 240.391 2.016 20 0 BEADMP COCC(C)(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255666031 970447878 /nfs/dbraw/zinc/44/78/78/970447878.db2.gz PPRCIIGYOGPLSW-YHWZYXNKSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]1CC[N@@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255674698 970453638 /nfs/dbraw/zinc/45/36/38/970453638.db2.gz SXQTXKMLKDJGFG-FKJOKYEKSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@@H]1CC[N@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255674698 970453644 /nfs/dbraw/zinc/45/36/44/970453644.db2.gz SXQTXKMLKDJGFG-FKJOKYEKSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@@H]1CC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255674698 970453651 /nfs/dbraw/zinc/45/36/51/970453651.db2.gz SXQTXKMLKDJGFG-FKJOKYEKSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@@H]1CC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255674698 970453661 /nfs/dbraw/zinc/45/36/61/970453661.db2.gz SXQTXKMLKDJGFG-FKJOKYEKSA-N 2 1 208.349 2.096 20 0 BEADMP CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC000252965023 1166759418 /nfs/dbraw/zinc/75/94/18/1166759418.db2.gz WWQYFFWTGKXLIQ-UPJWGTAASA-N 2 1 210.365 2.247 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cs1 ZINC000379804127 1166788915 /nfs/dbraw/zinc/78/89/15/1166788915.db2.gz NGYUNVRQWFYTBL-PWSUYJOCSA-N 2 1 224.373 2.226 20 0 BEADMP C[NH2+]CC[C@H](C)[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000251157872 1166800942 /nfs/dbraw/zinc/80/09/42/1166800942.db2.gz BUBMBTSLYOJWRO-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCOC[C@@H](C)C1 ZINC001255956735 970590548 /nfs/dbraw/zinc/59/05/48/970590548.db2.gz LVSYCTOZMADNKP-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCOC[C@@H](C)C1 ZINC001255956735 970590556 /nfs/dbraw/zinc/59/05/56/970590556.db2.gz LVSYCTOZMADNKP-UONOGXRCSA-N 2 1 242.407 2.075 20 0 BEADMP c1cc2ccncc2c(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC001204668585 1166839567 /nfs/dbraw/zinc/83/95/67/1166839567.db2.gz ZARPEKNEBGJTDT-UHFFFAOYSA-N 2 1 241.338 2.030 20 0 BEADMP c1cc2ccncc2c(C[N@H+]2CCC[NH2+]CC2)c1 ZINC001204668585 1166839572 /nfs/dbraw/zinc/83/95/72/1166839572.db2.gz ZARPEKNEBGJTDT-UHFFFAOYSA-N 2 1 241.338 2.030 20 0 BEADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@H](C)C2)CC1 ZINC000148788905 1166894687 /nfs/dbraw/zinc/89/46/87/1166894687.db2.gz GCDQJFYLEZBYFE-LBPRGKRZSA-N 2 1 210.365 2.201 20 0 BEADMP CC(C)[NH+]1CCC([N@H+]2CC[C@H](C)C2)CC1 ZINC000148788905 1166894696 /nfs/dbraw/zinc/89/46/96/1166894696.db2.gz GCDQJFYLEZBYFE-LBPRGKRZSA-N 2 1 210.365 2.201 20 0 BEADMP FC1CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256073072 970644375 /nfs/dbraw/zinc/64/43/75/970644375.db2.gz MLIPRJAAQGLQLN-UHFFFAOYSA-N 2 1 226.339 2.047 20 0 BEADMP CC[C@@H]1CC[C@H](C)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000304348752 1166913774 /nfs/dbraw/zinc/91/37/74/1166913774.db2.gz KDWXWKCUNQPUNX-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H](C(F)(F)F)C2)CC[NH2+]1 ZINC000304455512 1166918687 /nfs/dbraw/zinc/91/86/87/1166918687.db2.gz WWQURMTUVKPSSM-KXUCPTDWSA-N 2 1 236.281 2.011 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H](C(F)(F)F)C2)CC[NH2+]1 ZINC000304455512 1166918692 /nfs/dbraw/zinc/91/86/92/1166918692.db2.gz WWQURMTUVKPSSM-KXUCPTDWSA-N 2 1 236.281 2.011 20 0 BEADMP C[NH+]1CCC([N@@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC001256209564 970712643 /nfs/dbraw/zinc/71/26/43/970712643.db2.gz YKTPXKSSEMJLBB-OCCSQVGLSA-N 2 1 222.376 2.345 20 0 BEADMP C[NH+]1CCC([N@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC001256209564 970712650 /nfs/dbraw/zinc/71/26/50/970712650.db2.gz YKTPXKSSEMJLBB-OCCSQVGLSA-N 2 1 222.376 2.345 20 0 BEADMP C[N@@H+](C1CC1)C1CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167956825 1167019717 /nfs/dbraw/zinc/01/97/17/1167019717.db2.gz UPCOIZNDHZWMHK-JYAVWHMHSA-N 2 1 234.387 2.344 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)C[C@@H]1C ZINC000310397864 1167068275 /nfs/dbraw/zinc/06/82/75/1167068275.db2.gz MIFPGUTWJHAJDJ-QTVXIADOSA-N 2 1 236.403 2.352 20 0 BEADMP C[C@H](Cc1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000300047510 1167068406 /nfs/dbraw/zinc/06/84/06/1167068406.db2.gz DXQMLZHLBHXDSE-JTNHKYCSSA-N 2 1 236.334 2.036 20 0 BEADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000300047510 1167068412 /nfs/dbraw/zinc/06/84/12/1167068412.db2.gz DXQMLZHLBHXDSE-JTNHKYCSSA-N 2 1 236.334 2.036 20 0 BEADMP [NH3+]CCCC[N@H+]1CCC2(C1)CCCCC2 ZINC000308941152 1167224066 /nfs/dbraw/zinc/22/40/66/1167224066.db2.gz RYXVFMDUJWXGKX-UHFFFAOYSA-N 2 1 210.365 2.382 20 0 BEADMP CC[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC000309172989 1167260745 /nfs/dbraw/zinc/26/07/45/1167260745.db2.gz LTPKBFFOBJVNOX-AVGNSLFASA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000309294280 1167282218 /nfs/dbraw/zinc/28/22/18/1167282218.db2.gz RBQLLJCIJUKIRH-YNEHKIRRSA-N 2 1 212.381 2.480 20 0 BEADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C1 ZINC000309294280 1167282224 /nfs/dbraw/zinc/28/22/24/1167282224.db2.gz RBQLLJCIJUKIRH-YNEHKIRRSA-N 2 1 212.381 2.480 20 0 BEADMP CC[C@H](C)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000251532974 1167336486 /nfs/dbraw/zinc/33/64/86/1167336486.db2.gz AVFZLSJOPKRUME-AVGNSLFASA-N 2 1 210.365 2.106 20 0 BEADMP C[N@H+](CCC1CC1)C[C@H]([NH3+])Cc1ccccc1 ZINC000310184277 1167474272 /nfs/dbraw/zinc/47/42/72/1167474272.db2.gz UYAFZLUFDDSPQK-OAHLLOKOSA-N 2 1 232.371 2.288 20 0 BEADMP C[N@@H+](CCC1CC1)C[C@H]([NH3+])Cc1ccccc1 ZINC000310184277 1167474275 /nfs/dbraw/zinc/47/42/75/1167474275.db2.gz UYAFZLUFDDSPQK-OAHLLOKOSA-N 2 1 232.371 2.288 20 0 BEADMP Cc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])s1 ZINC001205064784 1167666330 /nfs/dbraw/zinc/66/63/30/1167666330.db2.gz VJHAOZDRQBDTRE-ONGXEEELSA-N 2 1 224.373 2.368 20 0 BEADMP Cc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])s1 ZINC001205064784 1167666333 /nfs/dbraw/zinc/66/63/33/1167666333.db2.gz VJHAOZDRQBDTRE-ONGXEEELSA-N 2 1 224.373 2.368 20 0 BEADMP CCC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001120779004 1167699332 /nfs/dbraw/zinc/69/93/32/1167699332.db2.gz WTFYGLGUGDPGER-ZDUSSCGKSA-N 2 1 233.359 2.250 20 0 BEADMP CCC[C@@H](C[N@@H+](C)C1CCC([NH3+])CC1)OC ZINC000386437190 1167710439 /nfs/dbraw/zinc/71/04/39/1167710439.db2.gz MFBLKWMQNZIVPZ-BPCQOVAHSA-N 2 1 228.380 2.003 20 0 BEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cscn2)CC1 ZINC001206304467 978371680 /nfs/dbraw/zinc/37/16/80/978371680.db2.gz KXSYKEZRODMZAA-LBPRGKRZSA-N 2 1 239.388 2.094 20 0 BEADMP CC1(C)C[C@@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)CCO1 ZINC000310449332 1167774485 /nfs/dbraw/zinc/77/44/85/1167774485.db2.gz XRJQEQNYZTUYCW-STQMWFEESA-N 2 1 240.391 2.005 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@H]1CCC[C@H](OC)C1 ZINC000069846603 978763771 /nfs/dbraw/zinc/76/37/71/978763771.db2.gz QBEYDSJLKQOUCJ-STQMWFEESA-N 2 1 228.380 2.005 20 0 BEADMP C[N@@H+](CC[C@@H]1CCCC[NH2+]1)C[C@H]1CC1(C)C ZINC001235959555 979230256 /nfs/dbraw/zinc/23/02/56/979230256.db2.gz YRUHZIIAFDIEPQ-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1CCCC[N@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000229541134 1168331225 /nfs/dbraw/zinc/33/12/25/1168331225.db2.gz FMAHAOQRSOBZIB-YNEHKIRRSA-N 2 1 210.365 2.391 20 0 BEADMP CC[C@H](C)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229064108 1168361382 /nfs/dbraw/zinc/36/13/82/1168361382.db2.gz SWOANKSCHUHPSS-RNJOBUHISA-N 2 1 212.381 2.338 20 0 BEADMP CCCC[N@H+](CC)CC[NH2+][C@H](C)CC ZINC000037479892 1168416552 /nfs/dbraw/zinc/41/65/52/1168416552.db2.gz AJRAYXGGPDVZOC-GFCCVEGCSA-N 2 1 200.370 2.497 20 0 BEADMP CCCC[N@@H+](CC)CC[NH2+][C@H](C)CC ZINC000037479892 1168416557 /nfs/dbraw/zinc/41/65/57/1168416557.db2.gz AJRAYXGGPDVZOC-GFCCVEGCSA-N 2 1 200.370 2.497 20 0 BEADMP C[C@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000037484634 1168418377 /nfs/dbraw/zinc/41/83/77/1168418377.db2.gz BBTVVGXGKRDVLS-AVGNSLFASA-N 2 1 210.365 2.106 20 0 BEADMP CCCOCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310319813 1168430895 /nfs/dbraw/zinc/43/08/95/1168430895.db2.gz YIGGMVAUJSAOQV-UHFFFAOYSA-N 2 1 240.391 2.020 20 0 BEADMP CC[C@@H]1CCCC[C@@H]1C[N@@H+](C)CCC[NH3+] ZINC000401452305 1168441485 /nfs/dbraw/zinc/44/14/85/1168441485.db2.gz PWCPJKUJUNRDBL-CHWSQXEVSA-N 2 1 212.381 2.483 20 0 BEADMP C[NH+](C)C1CCC([N@@H+](C)CC2CC2)CC1 ZINC000202465973 1168458110 /nfs/dbraw/zinc/45/81/10/1168458110.db2.gz HOPCTYFQWXMTBW-UHFFFAOYSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]1CCC[C@@H]([N@@H+](C)CCC[NH+](C)C)C1 ZINC000337344931 1168459381 /nfs/dbraw/zinc/45/93/81/1168459381.db2.gz ZMYRPGAQZSZVOK-QWHCGFSZSA-N 2 1 212.381 2.449 20 0 BEADMP CCc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)[nH]1 ZINC001203236184 1168777462 /nfs/dbraw/zinc/77/74/62/1168777462.db2.gz FHQWPSCUIURSJG-DCAQKATOSA-N 2 1 237.322 2.070 20 0 BEADMP C[N@@H+](CC1CC=CC1)C1CCC([NH3+])CC1 ZINC000692037576 1169114914 /nfs/dbraw/zinc/11/49/14/1169114914.db2.gz MKVSGYDUBMTUPZ-UHFFFAOYSA-N 2 1 208.349 2.154 20 0 BEADMP C[C@H]1C[C@H]([N@@H+]2CC3CCC2CC3)CC[NH2+]1 ZINC000379821954 1169232811 /nfs/dbraw/zinc/23/28/11/1169232811.db2.gz USQHSHGRBINMBA-YWPUVAFDSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2CC3CCC2CC3)CC[NH2+]1 ZINC000379821954 1169232818 /nfs/dbraw/zinc/23/28/18/1169232818.db2.gz USQHSHGRBINMBA-YWPUVAFDSA-N 2 1 208.349 2.001 20 0 BEADMP CCC[N@@H+](CCC[NH3+])[C@@H](C)CCOC(C)C ZINC001172432853 974718719 /nfs/dbraw/zinc/71/87/19/974718719.db2.gz CYAXMEHWCKTZOY-ZDUSSCGKSA-N 2 1 230.396 2.251 20 0 BEADMP CC(C)OCC[C@@H](C)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001172449219 974814274 /nfs/dbraw/zinc/81/42/74/974814274.db2.gz QQDZANGCNKQTND-IYXRBSQSSA-N 2 1 242.407 2.392 20 0 BEADMP [NH3+]C[C@H]1CCCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000402202321 970768144 /nfs/dbraw/zinc/76/81/44/970768144.db2.gz FFNWMHXUHCUFJO-ZIAGYGMSSA-N 2 1 222.376 2.404 20 0 BEADMP CC[N@@H+](CCCCCC[NH3+])[C@@H]1CCCOC1 ZINC000402642570 970818868 /nfs/dbraw/zinc/81/88/68/970818868.db2.gz FNDHPZUMTNUGCL-CYBMUJFWSA-N 2 1 228.380 2.006 20 0 BEADMP CCc1cc(N[C@@H](C[NH3+])C(C)(C)C)nc(C)[nH+]1 ZINC000305968559 970819825 /nfs/dbraw/zinc/81/98/25/970819825.db2.gz YJBAWZHRYYOIEJ-NSHDSACASA-N 2 1 236.363 2.133 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)[C@H](C)Cc1ccccn1 ZINC001256425714 970834768 /nfs/dbraw/zinc/83/47/68/970834768.db2.gz JEDDVRJYPLKMGT-CQSZACIVSA-N 2 1 249.402 2.286 20 0 BEADMP CC[N@@H+](CCCCCCC[NH3+])[C@H]1CCCOC1 ZINC000402762867 970852316 /nfs/dbraw/zinc/85/23/16/970852316.db2.gz FUCBZENYLXCBKM-AWEZNQCLSA-N 2 1 242.407 2.397 20 0 BEADMP C[C@@H]1CC[N@@H+]1C1CC[NH+](C(C)(C)C)CC1 ZINC001256569493 970868095 /nfs/dbraw/zinc/86/80/95/970868095.db2.gz HFGMIVCBSYJEGX-LLVKDONJSA-N 2 1 210.365 2.344 20 0 BEADMP C[C@@H]1CC[N@H+]1C1CC[NH+](C(C)(C)C)CC1 ZINC001256569493 970868096 /nfs/dbraw/zinc/86/80/96/970868096.db2.gz HFGMIVCBSYJEGX-LLVKDONJSA-N 2 1 210.365 2.344 20 0 BEADMP CCC[C@@H](C)C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403136475 970882321 /nfs/dbraw/zinc/88/23/21/970882321.db2.gz BWWZNONVSCAWDX-GHMZBOCLSA-N 2 1 234.334 2.339 20 0 BEADMP C[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256621153 970886866 /nfs/dbraw/zinc/88/68/66/970886866.db2.gz LGOKUHAUQIJXDM-HABKJSAYSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256621153 970886868 /nfs/dbraw/zinc/88/68/68/970886868.db2.gz LGOKUHAUQIJXDM-HABKJSAYSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256621153 970886876 /nfs/dbraw/zinc/88/68/76/970886876.db2.gz LGOKUHAUQIJXDM-HABKJSAYSA-N 2 1 222.376 2.344 20 0 BEADMP CCC[N@@H+](CC)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256621564 970887407 /nfs/dbraw/zinc/88/74/07/970887407.db2.gz WHKCAERBVZNHLL-FUNVUKJBSA-N 2 1 210.365 2.344 20 0 BEADMP CCC[NH+](CC)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256621564 970887409 /nfs/dbraw/zinc/88/74/09/970887409.db2.gz WHKCAERBVZNHLL-FUNVUKJBSA-N 2 1 210.365 2.344 20 0 BEADMP CCC[NH+](CC)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256621564 970887412 /nfs/dbraw/zinc/88/74/12/970887412.db2.gz WHKCAERBVZNHLL-FUNVUKJBSA-N 2 1 210.365 2.344 20 0 BEADMP C[C@H]1CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256621077 970887981 /nfs/dbraw/zinc/88/79/81/970887981.db2.gz JSOKWXSKXYEIOD-ACJTYDJDSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256621077 970887987 /nfs/dbraw/zinc/88/79/87/970887987.db2.gz JSOKWXSKXYEIOD-ACJTYDJDSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256621077 970887989 /nfs/dbraw/zinc/88/79/89/970887989.db2.gz JSOKWXSKXYEIOD-ACJTYDJDSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256621077 970887990 /nfs/dbraw/zinc/88/79/90/970887990.db2.gz JSOKWXSKXYEIOD-ACJTYDJDSA-N 2 1 208.349 2.096 20 0 BEADMP C[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C2(CC2)C1 ZINC001256630000 970894426 /nfs/dbraw/zinc/89/44/26/970894426.db2.gz ZUAXHPHTVAAKBY-ICIURTGMSA-N 2 1 234.387 2.486 20 0 BEADMP C[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C2(CC2)C1 ZINC001256630000 970894429 /nfs/dbraw/zinc/89/44/29/970894429.db2.gz ZUAXHPHTVAAKBY-ICIURTGMSA-N 2 1 234.387 2.486 20 0 BEADMP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2(CC2)C1 ZINC001256630000 970894431 /nfs/dbraw/zinc/89/44/31/970894431.db2.gz ZUAXHPHTVAAKBY-ICIURTGMSA-N 2 1 234.387 2.486 20 0 BEADMP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2(CC2)C1 ZINC001256630000 970894440 /nfs/dbraw/zinc/89/44/40/970894440.db2.gz ZUAXHPHTVAAKBY-ICIURTGMSA-N 2 1 234.387 2.486 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403507828 970956658 /nfs/dbraw/zinc/95/66/58/970956658.db2.gz BGRWPZMOARQIBQ-ZOBORPQBSA-N 2 1 222.376 2.093 20 0 BEADMP C[C@H](Cc1ccncc1)[NH+]1CCC([NH+](C)C)CC1 ZINC001256732611 970957972 /nfs/dbraw/zinc/95/79/72/970957972.db2.gz GAMBZHJLNYJMEY-CYBMUJFWSA-N 2 1 247.386 2.039 20 0 BEADMP C[C@@H]1CC[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256855784 970996347 /nfs/dbraw/zinc/99/63/47/970996347.db2.gz VXVNTZKDJTWSRE-GFCCVEGCSA-N 2 1 231.343 2.145 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)C1C[C@H](C)O[C@@H](C)C1 ZINC001257101298 971116251 /nfs/dbraw/zinc/11/62/51/971116251.db2.gz GISKVYMLXJQGGZ-STQMWFEESA-N 2 1 242.407 2.216 20 0 BEADMP CC(C)[NH+]1CCC([NH+]2CC(C)(C)C2)CC1 ZINC001257212899 971127708 /nfs/dbraw/zinc/12/77/08/971127708.db2.gz BTEGISZGSJHQPY-UHFFFAOYSA-N 2 1 210.365 2.201 20 0 BEADMP CC(C)[NH+]1CCC([NH+]2CC3(CCC3)C2)CC1 ZINC001257214968 971129832 /nfs/dbraw/zinc/12/98/32/971129832.db2.gz PGMWVXZAOZDKIB-UHFFFAOYSA-N 2 1 222.376 2.345 20 0 BEADMP CCC(CC)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257292194 971180654 /nfs/dbraw/zinc/18/06/54/971180654.db2.gz TZSWOBKSJCIVII-AULYBMBSSA-N 2 1 240.391 2.146 20 0 BEADMP CC[N@@H+](C)C1CC[NH+](C2CCCC2)CC1 ZINC001257354751 971267130 /nfs/dbraw/zinc/26/71/30/971267130.db2.gz IDQPXKYLYMOZMQ-UHFFFAOYSA-N 2 1 210.365 2.345 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1CC[C@](C)([NH3+])C1 ZINC000405886478 971319753 /nfs/dbraw/zinc/31/97/53/971319753.db2.gz WODQRMCGSSOENR-AWEZNQCLSA-N 2 1 218.344 2.227 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CC[C@](C)([NH3+])C1 ZINC000405886478 971319759 /nfs/dbraw/zinc/31/97/59/971319759.db2.gz WODQRMCGSSOENR-AWEZNQCLSA-N 2 1 218.344 2.227 20 0 BEADMP COc1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)[nH+]c1C ZINC001170623394 971383160 /nfs/dbraw/zinc/38/31/60/971383160.db2.gz VFPGHIKVYNVIMS-WDEREUQCSA-N 2 1 235.331 2.080 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+](C3CCCCC3)C[C@@H]2C1 ZINC001257467096 971389695 /nfs/dbraw/zinc/38/96/95/971389695.db2.gz UWYVOZAPIBRXKR-BETUJISGSA-N 2 1 222.376 2.203 20 0 BEADMP CC(C)OC1CCC([NH2+]C(C)(C)C[NH3+])CC1 ZINC001257870390 971512067 /nfs/dbraw/zinc/51/20/67/971512067.db2.gz AWYCVJVNVBDHIT-UHFFFAOYSA-N 2 1 228.380 2.050 20 0 BEADMP CCC[N@@H+](C)C1CC[NH+](CC(C)C)CC1 ZINC001258011278 971551927 /nfs/dbraw/zinc/55/19/27/971551927.db2.gz JEVYAFGIUVRXRP-UHFFFAOYSA-N 2 1 212.381 2.449 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170721691 971642402 /nfs/dbraw/zinc/64/24/02/971642402.db2.gz YLAOSUQMMSKZBK-SYQHCUMBSA-N 2 1 236.403 2.495 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170721694 971645837 /nfs/dbraw/zinc/64/58/37/971645837.db2.gz YLAOSUQMMSKZBK-YIYPIFLZSA-N 2 1 236.403 2.495 20 0 BEADMP CC(C)[N@H+]1CC[C@H](Oc2cccc(C[NH3+])c2)C1 ZINC001218291948 971688968 /nfs/dbraw/zinc/68/89/68/971688968.db2.gz MKLXMRYFDARYQX-AWEZNQCLSA-N 2 1 234.343 2.007 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170738708 971690154 /nfs/dbraw/zinc/69/01/54/971690154.db2.gz KEUARZCFMDXHLO-POQQGIQPSA-N 2 1 236.403 2.351 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170738708 971690164 /nfs/dbraw/zinc/69/01/64/971690164.db2.gz KEUARZCFMDXHLO-POQQGIQPSA-N 2 1 236.403 2.351 20 0 BEADMP CCSCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172102707 974358780 /nfs/dbraw/zinc/35/87/80/974358780.db2.gz OKBFBGMNCLSQPV-CLLJXQQHSA-N 2 1 242.432 2.344 20 0 BEADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170763742 971748246 /nfs/dbraw/zinc/74/82/46/971748246.db2.gz CMBDVZHDGKKAGA-AYDFFVQHSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170763742 971748256 /nfs/dbraw/zinc/74/82/56/971748256.db2.gz CMBDVZHDGKKAGA-AYDFFVQHSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170763742 971748262 /nfs/dbraw/zinc/74/82/62/971748262.db2.gz CMBDVZHDGKKAGA-AYDFFVQHSA-N 2 1 248.414 2.449 20 0 BEADMP CC[C@H](C)OCC[C@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001172326025 974530145 /nfs/dbraw/zinc/53/01/45/974530145.db2.gz ABXKNBXOUHCQKK-AVGNSLFASA-N 2 1 230.396 2.107 20 0 BEADMP Cc1[nH+]ccn1CCNc1cc(C)[nH+]c(C)c1 ZINC000310250496 971961194 /nfs/dbraw/zinc/96/11/94/971961194.db2.gz WJQCDMXGYUQNIO-UHFFFAOYSA-N 2 1 230.315 2.315 20 0 BEADMP COc1ccccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000311002592 971987981 /nfs/dbraw/zinc/98/79/81/971987981.db2.gz IQFIFEVQOFPCKT-ZDUSSCGKSA-N 2 1 248.370 2.256 20 0 BEADMP [NH3+]C[C@H]1CCCC[N@@H+](CCOc2ccccc2)C1 ZINC000311211275 971993449 /nfs/dbraw/zinc/99/34/49/971993449.db2.gz LCQULTGPAAWBEZ-CQSZACIVSA-N 2 1 248.370 2.126 20 0 BEADMP C[C@@H]([NH3+])CCNc1[nH+]cccc1C1CCOCC1 ZINC001170889911 972038585 /nfs/dbraw/zinc/03/85/85/972038585.db2.gz MEJHHHVIDOTTNZ-LLVKDONJSA-N 2 1 249.358 2.125 20 0 BEADMP CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C1 ZINC001246181661 972208902 /nfs/dbraw/zinc/20/89/02/972208902.db2.gz WUXLKDWZZARFLX-UPJWGTAASA-N 2 1 210.365 2.297 20 0 BEADMP COC1(C[N@@H+](C)CCCCCC[NH3+])CCCC1 ZINC000710797068 956873869 /nfs/dbraw/zinc/87/38/69/956873869.db2.gz FQJHAYNCSHQRAQ-UHFFFAOYSA-N 2 1 242.407 2.397 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)CC[C@H](C)SC ZINC001208149260 957029239 /nfs/dbraw/zinc/02/92/39/957029239.db2.gz MWALOSVQLGTODE-LBPRGKRZSA-N 2 1 232.437 2.402 20 0 BEADMP CC[C@H]1CCC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208608375 957086206 /nfs/dbraw/zinc/08/62/06/957086206.db2.gz IDQJGGCMPZXSIJ-KBPBESRZSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@H]1CCC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208608375 957086219 /nfs/dbraw/zinc/08/62/19/957086219.db2.gz IDQJGGCMPZXSIJ-KBPBESRZSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@H]1CCC[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208608375 957086225 /nfs/dbraw/zinc/08/62/25/957086225.db2.gz IDQJGGCMPZXSIJ-KBPBESRZSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@@H]1CCCC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208607294 957088872 /nfs/dbraw/zinc/08/88/72/957088872.db2.gz LHZBQFMSYMRETG-KGLIPLIRSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@@H]1CCCC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208607294 957088885 /nfs/dbraw/zinc/08/88/85/957088885.db2.gz LHZBQFMSYMRETG-KGLIPLIRSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@@H]1CCCC[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208607294 957088899 /nfs/dbraw/zinc/08/88/99/957088899.db2.gz LHZBQFMSYMRETG-KGLIPLIRSA-N 2 1 224.392 2.450 20 0 BEADMP Cc1cccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC001246236086 972241174 /nfs/dbraw/zinc/24/11/74/972241174.db2.gz INLWZOUOQBGMPD-HABKJSAYSA-N 2 1 245.370 2.324 20 0 BEADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208612295 957101144 /nfs/dbraw/zinc/10/11/44/957101144.db2.gz MFVXODISJGBEEM-MJBXVCDLSA-N 2 1 224.392 2.306 20 0 BEADMP C[C@@H]1C[C@H](C)C[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208612295 957101150 /nfs/dbraw/zinc/10/11/50/957101150.db2.gz MFVXODISJGBEEM-MJBXVCDLSA-N 2 1 224.392 2.306 20 0 BEADMP C[C@@H]1C[C@H](C)C[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208612295 957101157 /nfs/dbraw/zinc/10/11/57/957101157.db2.gz MFVXODISJGBEEM-MJBXVCDLSA-N 2 1 224.392 2.306 20 0 BEADMP CCCC[C@@H]1C[C@@H]([NH2+]CC[C@H]([NH3+])CC)CC[NH2+]1 ZINC001246308888 972271017 /nfs/dbraw/zinc/27/10/17/972271017.db2.gz SXJYMRBJMWSILC-MCIONIFRSA-N 3 1 241.423 2.014 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[NH2+][C@@H](C)CC2)cc1C ZINC001210473377 957760712 /nfs/dbraw/zinc/76/07/12/957760712.db2.gz CUTDBEVAYJQQFC-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP Cc1ccc(C[N@H+]2CC[NH2+][C@@H](C)CC2)cc1C ZINC001210473377 957760719 /nfs/dbraw/zinc/76/07/19/957760719.db2.gz CUTDBEVAYJQQFC-AWEZNQCLSA-N 2 1 232.371 2.487 20 0 BEADMP C[C@@H](Cc1ccc(O)cc1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246345265 972299240 /nfs/dbraw/zinc/29/92/40/972299240.db2.gz DLXGVRAAMIGUIY-DYEKYZERSA-N 2 1 248.370 2.053 20 0 BEADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246345265 972299246 /nfs/dbraw/zinc/29/92/46/972299246.db2.gz DLXGVRAAMIGUIY-DYEKYZERSA-N 2 1 248.370 2.053 20 0 BEADMP CSC(C)(C)C[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246357826 972302929 /nfs/dbraw/zinc/30/29/29/972302929.db2.gz MZEDVXCSMWGUSX-WDEREUQCSA-N 2 1 230.421 2.248 20 0 BEADMP Cc1cccc2c1CC[C@@H]([NH2+]CC[NH2+]C(C)C)C2 ZINC001246455574 972323015 /nfs/dbraw/zinc/32/30/15/972323015.db2.gz XQNZAZLEFQCNMF-OAHLLOKOSA-N 2 1 246.398 2.440 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)C1CCCC1 ZINC000398952616 958454325 /nfs/dbraw/zinc/45/43/25/958454325.db2.gz FHDLECDDSUYUDF-GMXVVIOVSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC23CCCC3)C[NH2+]1 ZINC000399041108 958496549 /nfs/dbraw/zinc/49/65/49/958496549.db2.gz QEYKQMPMQBABIA-IJLUTSLNSA-N 2 1 208.349 2.049 20 0 BEADMP C[C@H]1CC[C@H]([NH2+]CCCC(F)(F)F)C[NH2+]1 ZINC000399221965 958567371 /nfs/dbraw/zinc/56/73/71/958567371.db2.gz CHOSZYXWAYYMHZ-IUCAKERBSA-N 2 1 224.270 2.059 20 0 BEADMP CC(C)(C)[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000693578100 958868060 /nfs/dbraw/zinc/86/80/60/958868060.db2.gz JBBUAUFYLDPQAJ-SDDRHHMPSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@H]1CCC[C@@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000693579984 958870196 /nfs/dbraw/zinc/87/01/96/958870196.db2.gz RJVFKKJWQKFCJX-WUHRBBMRSA-N 2 1 210.365 2.234 20 0 BEADMP C[C@@H]1CCC[C@@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000693579975 958870865 /nfs/dbraw/zinc/87/08/65/958870865.db2.gz RJVFKKJWQKFCJX-FVCCEPFGSA-N 2 1 210.365 2.234 20 0 BEADMP CC[C@@H](C)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222232897 972415837 /nfs/dbraw/zinc/41/58/37/972415837.db2.gz YKXBGZNFJAGNPV-OLZOCXBDSA-N 2 1 210.365 2.251 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000689853010 959346952 /nfs/dbraw/zinc/34/69/52/959346952.db2.gz RQUBYOQKQUMQMK-RDBSUJKOSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000689853010 959346965 /nfs/dbraw/zinc/34/69/65/959346965.db2.gz RQUBYOQKQUMQMK-RDBSUJKOSA-N 2 1 242.407 2.120 20 0 BEADMP Cc1c[nH+]c(N2CCC[C@](C)(C[NH3+])C2)c(C)c1 ZINC000708429775 959434873 /nfs/dbraw/zinc/43/48/73/959434873.db2.gz MDHRLPUJIJASDC-CQSZACIVSA-N 2 1 233.359 2.264 20 0 BEADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cncs1 ZINC000693892813 959483284 /nfs/dbraw/zinc/48/32/84/959483284.db2.gz DQKHKBXEQZVGIR-MNOVXSKESA-N 2 1 239.388 2.278 20 0 BEADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cncs1 ZINC000693892813 959483293 /nfs/dbraw/zinc/48/32/93/959483293.db2.gz DQKHKBXEQZVGIR-MNOVXSKESA-N 2 1 239.388 2.278 20 0 BEADMP CC/C=C\CCC[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001222335352 972439170 /nfs/dbraw/zinc/43/91/70/972439170.db2.gz IIRZQOAUJRSJSJ-ARJAWSKDSA-N 2 1 222.376 2.418 20 0 BEADMP CCCCC[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222345081 972441174 /nfs/dbraw/zinc/44/11/74/972441174.db2.gz IGNYPRGTQDEEGR-ZDUSSCGKSA-N 2 1 210.365 2.395 20 0 BEADMP CCCCC[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222345081 972441177 /nfs/dbraw/zinc/44/11/77/972441177.db2.gz IGNYPRGTQDEEGR-ZDUSSCGKSA-N 2 1 210.365 2.395 20 0 BEADMP Cc1cccc2c1CC[C@H]([N@H+]1CC[C@](C)([NH3+])C1)C2 ZINC001246532154 972445083 /nfs/dbraw/zinc/44/50/83/972445083.db2.gz UMHJDLRHOHQENJ-HOCLYGCPSA-N 2 1 244.382 2.275 20 0 BEADMP [NH2+]=C(Nc1ccc2[nH]ccc2c1)SCC[NH3+] ZINC001167913379 959732360 /nfs/dbraw/zinc/73/23/60/959732360.db2.gz LQUSYVMWLANJAC-UHFFFAOYSA-N 2 1 234.328 2.206 20 0 BEADMP CCSC[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000309266870 959821834 /nfs/dbraw/zinc/82/18/34/959821834.db2.gz QIKQIGVQIDYKSZ-NSHDSACASA-N 2 1 242.432 2.344 20 0 BEADMP Cc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)o1 ZINC000309488519 959887256 /nfs/dbraw/zinc/88/72/56/959887256.db2.gz XQIZROQWJRQICI-LBPRGKRZSA-N 2 1 222.332 2.149 20 0 BEADMP C[C@H]1C[N@H+]([C@H]2CC[C@@H](C)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000708870668 959991080 /nfs/dbraw/zinc/99/10/80/959991080.db2.gz MNKURBWAUIAWSS-RGDJUOJXSA-N 2 1 224.392 2.338 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222422478 972473381 /nfs/dbraw/zinc/47/33/81/972473381.db2.gz VBLWAPXEEVNXIA-JJXSEGSLSA-N 2 1 246.398 2.417 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000695717251 960399529 /nfs/dbraw/zinc/39/95/29/960399529.db2.gz IJSRBIPCVWANGJ-AWEZNQCLSA-N 2 1 236.403 2.498 20 0 BEADMP C[C@@H]1CCCC[N@H+]1CCCNc1c[nH+]cn1C ZINC001167751965 960541120 /nfs/dbraw/zinc/54/11/20/960541120.db2.gz QEOHOLFDCWGTSB-GFCCVEGCSA-N 2 1 236.363 2.097 20 0 BEADMP CO[C@@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140799375 960577867 /nfs/dbraw/zinc/57/78/67/960577867.db2.gz BGTQILCGPQVBOQ-GFCCVEGCSA-N 2 1 245.326 2.174 20 0 BEADMP CO[C@@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140799375 960577881 /nfs/dbraw/zinc/57/78/81/960577881.db2.gz BGTQILCGPQVBOQ-GFCCVEGCSA-N 2 1 245.326 2.174 20 0 BEADMP Cc1c[nH]c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1C ZINC001140859893 960636542 /nfs/dbraw/zinc/63/65/42/960636542.db2.gz DYIRCFUDLHJFKK-KGLIPLIRSA-N 2 1 247.386 2.015 20 0 BEADMP Cc1c[nH]c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1C ZINC001140859893 960636550 /nfs/dbraw/zinc/63/65/50/960636550.db2.gz DYIRCFUDLHJFKK-KGLIPLIRSA-N 2 1 247.386 2.015 20 0 BEADMP Cc1c[nH]c(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1C ZINC001140859893 960636555 /nfs/dbraw/zinc/63/65/55/960636555.db2.gz DYIRCFUDLHJFKK-KGLIPLIRSA-N 2 1 247.386 2.015 20 0 BEADMP C[C@@H](Cc1ccco1)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246539079 972530356 /nfs/dbraw/zinc/53/03/56/972530356.db2.gz ATHBRRKLTHOCDE-RYUDHWBXSA-N 2 1 222.332 2.024 20 0 BEADMP C[N@@H+](CCF)Cc1cccc(-n2ccnc2)c1 ZINC001141245318 961020398 /nfs/dbraw/zinc/02/03/98/961020398.db2.gz IVWGXVVRKWHPRM-UHFFFAOYSA-N 2 1 233.290 2.274 20 0 BEADMP C[C@H]1CC[C@@H]([N@@H+]2CCC3(CCC3)C2)C[NH2+]1 ZINC000399020581 961057184 /nfs/dbraw/zinc/05/71/84/961057184.db2.gz HUHWXJOADLRQGG-NWDGAFQWSA-N 2 1 208.349 2.003 20 0 BEADMP C[C@H]1CC[C@@H]([N@H+]2CCC3(CCC3)C2)C[NH2+]1 ZINC000399020581 961057206 /nfs/dbraw/zinc/05/72/06/961057206.db2.gz HUHWXJOADLRQGG-NWDGAFQWSA-N 2 1 208.349 2.003 20 0 BEADMP c1cc(C[N@@H+]2CCC[NH2+]CC2)c2c(c1)CCCC2 ZINC001204675708 961405387 /nfs/dbraw/zinc/40/53/87/961405387.db2.gz UWLDZBLOEPHQQS-UHFFFAOYSA-N 2 1 244.382 2.361 20 0 BEADMP c1cc(C[N@H+]2CCC[NH2+]CC2)c2c(c1)CCCC2 ZINC001204675708 961405400 /nfs/dbraw/zinc/40/54/00/961405400.db2.gz UWLDZBLOEPHQQS-UHFFFAOYSA-N 2 1 244.382 2.361 20 0 BEADMP Cc1cccc(C)c1C[NH+]1CC2(C1)CCC[NH2+]C2 ZINC000709810336 961630958 /nfs/dbraw/zinc/63/09/58/961630958.db2.gz WMAFMYHUMPEION-UHFFFAOYSA-N 2 1 244.382 2.489 20 0 BEADMP Cc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cnc1C ZINC001206632293 962123989 /nfs/dbraw/zinc/12/39/89/962123989.db2.gz IKTSCTZTUUOJQJ-CQSZACIVSA-N 2 1 247.386 2.259 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+]2CCc3ccsc3C2)CC[NH2+]1 ZINC000711872044 962781724 /nfs/dbraw/zinc/78/17/24/962781724.db2.gz CBZZGAOEYDOJLD-PWSUYJOCSA-N 2 1 236.384 2.247 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCc3ccsc3C2)CC[NH2+]1 ZINC000711872044 962781742 /nfs/dbraw/zinc/78/17/42/962781742.db2.gz CBZZGAOEYDOJLD-PWSUYJOCSA-N 2 1 236.384 2.247 20 0 BEADMP C[C@H]1C[C@H]([N@@H+]2CCc3ccsc3C2)CC[NH2+]1 ZINC000711871554 962785194 /nfs/dbraw/zinc/78/51/94/962785194.db2.gz CBZZGAOEYDOJLD-CMPLNLGQSA-N 2 1 236.384 2.247 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2CCc3ccsc3C2)CC[NH2+]1 ZINC000711871554 962785203 /nfs/dbraw/zinc/78/52/03/962785203.db2.gz CBZZGAOEYDOJLD-CMPLNLGQSA-N 2 1 236.384 2.247 20 0 BEADMP C[C@@H]1C[C@@H](CNc2cccc(C3CC3)[nH+]2)C[NH2+]1 ZINC001155101668 962977900 /nfs/dbraw/zinc/97/79/00/962977900.db2.gz GQAYLOGSDYZRRA-GHMZBOCLSA-N 2 1 231.343 2.369 20 0 BEADMP c1cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)[nH+]c(C2CC2)c1 ZINC001155588170 963118322 /nfs/dbraw/zinc/11/83/22/963118322.db2.gz RQCFOOGMJOQNNY-DYEKYZERSA-N 2 1 243.354 2.369 20 0 BEADMP CCCc1cc(N[C@@H](C)C[NH+](C)C)nc(C)[nH+]1 ZINC001155915930 963201942 /nfs/dbraw/zinc/20/19/42/963201942.db2.gz KGMVDKCNIRPKHK-JTQLQIEISA-N 2 1 236.363 2.100 20 0 BEADMP C[C@@H]1CC[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000093088602 963294857 /nfs/dbraw/zinc/29/48/57/963294857.db2.gz OYJNFIGVDDRGHY-TZMCWYRMSA-N 2 1 224.392 2.449 20 0 BEADMP Cc1c[nH+]c(NCC[C@H]2CCC[N@H+](C)C2)c(N)c1 ZINC001156390429 963329595 /nfs/dbraw/zinc/32/95/95/963329595.db2.gz YIYQILNQCXAXNK-GFCCVEGCSA-N 2 1 248.374 2.116 20 0 BEADMP CC(C)(C[NH3+])[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255686964 1169826185 /nfs/dbraw/zinc/82/61/85/1169826185.db2.gz VUKCULUISZDYRC-DTWKUNHWSA-N 2 1 238.297 2.434 20 0 BEADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC001168075752 963615790 /nfs/dbraw/zinc/61/57/90/963615790.db2.gz QNFXQWAFPUFXMK-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP CC[C@@H](C)C[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000697043913 963667649 /nfs/dbraw/zinc/66/76/49/963667649.db2.gz XPIYHECUAPIJEY-OLZOCXBDSA-N 2 1 212.381 2.354 20 0 BEADMP CCO[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000721246949 964088008 /nfs/dbraw/zinc/08/80/08/964088008.db2.gz YADAXWQLWWXNQU-KBPBESRZSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)CC(F)F ZINC000697716433 964503783 /nfs/dbraw/zinc/50/37/83/964503783.db2.gz KMSKEZMQKGNYSK-LPEHRKFASA-N 2 1 220.307 2.008 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000697814031 964537657 /nfs/dbraw/zinc/53/76/57/964537657.db2.gz STKHSXIHTLVJTG-BTTYYORXSA-N 2 1 224.392 2.483 20 0 BEADMP COc1cccc(C[NH2+]CC[C@@H](C)[NH+](C)C)c1 ZINC000697921047 964686726 /nfs/dbraw/zinc/68/67/26/964686726.db2.gz SGZXOYOGRUDQEP-GFCCVEGCSA-N 2 1 236.359 2.125 20 0 BEADMP Cc1cc(NCCCC[NH+](C)C)c2[nH+]ccn2c1 ZINC001161731082 964720934 /nfs/dbraw/zinc/72/09/34/964720934.db2.gz NUCOPXYBTUQSRO-UHFFFAOYSA-N 2 1 246.358 2.396 20 0 BEADMP COCCC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256898389 1169848436 /nfs/dbraw/zinc/84/84/36/1169848436.db2.gz YWVOUYDUILUGKH-ZDUSSCGKSA-N 2 1 240.391 2.020 20 0 BEADMP COCCC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256898389 1169848452 /nfs/dbraw/zinc/84/84/52/1169848452.db2.gz YWVOUYDUILUGKH-ZDUSSCGKSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@@]1([NH3+])C[C@H](Nc2cc(C3CC3)cc[nH+]2)C1 ZINC001162327568 964930942 /nfs/dbraw/zinc/93/09/42/964930942.db2.gz BBMASIZDHXNLJT-BJHJDKERSA-N 2 1 217.316 2.251 20 0 BEADMP CCCc1cc(N[C@H]2C[C@@](C)([NH3+])C2)nc(C)[nH+]1 ZINC001162329037 964933671 /nfs/dbraw/zinc/93/36/71/964933671.db2.gz XMHDNZMJTWVFAQ-BJHJDKERSA-N 2 1 234.347 2.029 20 0 BEADMP C[N@H+]1CCC[C@@](C)(Nc2cc3[nH]ccc3c[nH+]2)C1 ZINC001162340161 964936738 /nfs/dbraw/zinc/93/67/38/964936738.db2.gz ADTWZCZGISLWTI-CQSZACIVSA-N 2 1 244.342 2.459 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H](Nc2ccc3[nH]c[nH+]c3c2)C1 ZINC001162406146 964965085 /nfs/dbraw/zinc/96/50/85/964965085.db2.gz ZSNLUUUMJWKBAQ-NXEZZACHSA-N 2 1 230.315 2.245 20 0 BEADMP Cc1cccnc1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250992772 965191045 /nfs/dbraw/zinc/19/10/45/965191045.db2.gz PLGSIMVYMBZANR-KGLIPLIRSA-N 2 1 245.370 2.106 20 0 BEADMP C[NH+](C)CC1CCC(Nc2[nH+]cccc2N)CC1 ZINC001163298474 965324627 /nfs/dbraw/zinc/32/46/27/965324627.db2.gz BOXUIRJFIXAZQD-UHFFFAOYSA-N 2 1 248.374 2.196 20 0 BEADMP CC(C)[N@H+]1CC[C@H](Nc2cc(N)cc[nH+]2)[C@@H](C)C1 ZINC001163356959 965362290 /nfs/dbraw/zinc/36/22/90/965362290.db2.gz HQBRJADVCVMUEN-AAEUAGOBSA-N 2 1 248.374 2.195 20 0 BEADMP CC(C)[N@@H+]1CC[C@@H](Nc2[nH+]cccc2N)[C@H](C)C1 ZINC001163361151 965362686 /nfs/dbraw/zinc/36/26/86/965362686.db2.gz HTRSBQWLLPMJPQ-DGCLKSJQSA-N 2 1 248.374 2.195 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](Nc2[nH+]cccc2N)[C@H](C)C1 ZINC001163361151 965362697 /nfs/dbraw/zinc/36/26/97/965362697.db2.gz HTRSBQWLLPMJPQ-DGCLKSJQSA-N 2 1 248.374 2.195 20 0 BEADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)CC1 ZINC001205094379 965727002 /nfs/dbraw/zinc/72/70/02/965727002.db2.gz LUIIOHHAFZIZFN-AWEZNQCLSA-N 2 1 243.354 2.481 20 0 BEADMP C[C@H](Cc1cccc(F)c1)[NH2+]C(C)(C)C[NH3+] ZINC001168454138 965756399 /nfs/dbraw/zinc/75/63/99/965756399.db2.gz MHMHSHBEFDGDIQ-SNVBAGLBSA-N 2 1 224.323 2.084 20 0 BEADMP [NH3+]CCCCCCC[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000699248607 965823828 /nfs/dbraw/zinc/82/38/28/965823828.db2.gz XGGILGIBRIIKFI-CHWSQXEVSA-N 2 1 210.365 2.237 20 0 BEADMP CNc1ccccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205117805 965871115 /nfs/dbraw/zinc/87/11/15/965871115.db2.gz VWZXVFWTFFKKHO-CYBMUJFWSA-N 2 1 233.359 2.042 20 0 BEADMP CCc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)o1 ZINC001204390217 965874151 /nfs/dbraw/zinc/87/41/51/965874151.db2.gz FCEQHDURXAIRTO-OLZOCXBDSA-N 2 1 248.370 2.226 20 0 BEADMP CCc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)o1 ZINC001204390217 965874168 /nfs/dbraw/zinc/87/41/68/965874168.db2.gz FCEQHDURXAIRTO-OLZOCXBDSA-N 2 1 248.370 2.226 20 0 BEADMP CCc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)o1 ZINC001204390217 965874172 /nfs/dbraw/zinc/87/41/72/965874172.db2.gz FCEQHDURXAIRTO-OLZOCXBDSA-N 2 1 248.370 2.226 20 0 BEADMP Cc1cc(C)[nH+]c(N2CCC[C@@H]2C[NH+](C)C)c1 ZINC001165073455 965956409 /nfs/dbraw/zinc/95/64/09/965956409.db2.gz YEPBYGJALFSSRV-CYBMUJFWSA-N 2 1 233.359 2.229 20 0 BEADMP CC1=C[C@@H](C)[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001235039599 965986868 /nfs/dbraw/zinc/98/68/68/965986868.db2.gz VWBYIUXOKAPWBI-CBBWQLFWSA-N 2 1 234.387 2.415 20 0 BEADMP CC1=C[C@@H](C)[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001235039599 965986883 /nfs/dbraw/zinc/98/68/83/965986883.db2.gz VWBYIUXOKAPWBI-CBBWQLFWSA-N 2 1 234.387 2.415 20 0 BEADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235124238 966008312 /nfs/dbraw/zinc/00/83/12/966008312.db2.gz LIFMWFYSFIMCAN-JJXSEGSLSA-N 2 1 246.398 2.417 20 0 BEADMP CCc1cc(NCC[C@@H]2CCC[N@@H+](C)C2)cc[nH+]1 ZINC001165300922 966037879 /nfs/dbraw/zinc/03/78/79/966037879.db2.gz UQWJGAPUSVSKIW-ZDUSSCGKSA-N 2 1 247.386 2.210 20 0 BEADMP CC1=C[C@@H](C)[C@H](C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)CC1 ZINC001205171114 966204082 /nfs/dbraw/zinc/20/40/82/966204082.db2.gz KRNPMNNURRBRGZ-YIYPIFLZSA-N 2 1 222.376 2.400 20 0 BEADMP CC[C@H]1CC[C@H](C)[N@H+]1CCC[NH2+]C1CC1 ZINC000136085630 966372655 /nfs/dbraw/zinc/37/26/55/966372655.db2.gz BPMBZLJZZDIQJM-AAEUAGOBSA-N 2 1 210.365 2.391 20 0 BEADMP CN(C[C@@H]1CC[NH2+]C1)c1cc(C2CC2)cc[nH+]1 ZINC001166956025 966481019 /nfs/dbraw/zinc/48/10/19/966481019.db2.gz RQMBOAGYQUUOMC-LLVKDONJSA-N 2 1 231.343 2.005 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)oc1C ZINC001237384944 966656296 /nfs/dbraw/zinc/65/62/96/966656296.db2.gz ZBTGQUGAACOKOG-UKRRQHHQSA-N 2 1 248.370 2.470 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)oc1C ZINC001237384944 966656307 /nfs/dbraw/zinc/65/63/07/966656307.db2.gz ZBTGQUGAACOKOG-UKRRQHHQSA-N 2 1 248.370 2.470 20 0 BEADMP CC(C)[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000084126119 966928479 /nfs/dbraw/zinc/92/84/79/966928479.db2.gz XDVGEVPANYXWQM-UONOGXRCSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cc(N[C@H]2CCCC[C@@H]2[NH+](C)C)nc(C)[nH+]1 ZINC001168593706 966959317 /nfs/dbraw/zinc/95/93/17/966959317.db2.gz SVYSYVUUBFUPFR-STQMWFEESA-N 2 1 248.374 2.378 20 0 BEADMP CCc1cc(Nc2c[nH+]c(N)c(C)c2)cc[nH+]1 ZINC001249786347 967069964 /nfs/dbraw/zinc/06/99/64/967069964.db2.gz QPGNYWAXOWGDQK-UHFFFAOYSA-N 2 1 228.299 2.095 20 0 BEADMP CCC[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)CC1CC1 ZINC001204599266 967095082 /nfs/dbraw/zinc/09/50/82/967095082.db2.gz VGKHDVMUMUISTN-ZDUSSCGKSA-N 2 1 240.391 2.223 20 0 BEADMP CCC[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)CC1CC1 ZINC001204599266 967095100 /nfs/dbraw/zinc/09/51/00/967095100.db2.gz VGKHDVMUMUISTN-ZDUSSCGKSA-N 2 1 240.391 2.223 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)ccc1F ZINC001205093861 967341354 /nfs/dbraw/zinc/34/13/54/967341354.db2.gz GUURFZQXXYBLRR-ZDUSSCGKSA-N 2 1 236.334 2.447 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1O ZINC001205116527 967363889 /nfs/dbraw/zinc/36/38/89/967363889.db2.gz BHGZNNBOEYKENF-CYBMUJFWSA-N 2 1 234.343 2.014 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cnc1C ZINC001205117106 967367197 /nfs/dbraw/zinc/36/71/97/967367197.db2.gz KSMIRLYDGLJKHM-CQSZACIVSA-N 2 1 233.359 2.012 20 0 BEADMP C[C@H]1C[N@@H+](Cc2cccc3ccoc32)C[C@H]1C[NH3+] ZINC001205150570 967397913 /nfs/dbraw/zinc/39/79/13/967397913.db2.gz FVFLYYJGEWFGLB-SMDDNHRTSA-N 2 1 244.338 2.459 20 0 BEADMP C[C@]1([NH3+])CCC[N@@H+](CCOc2ccccc2)CC1 ZINC001205255837 967447393 /nfs/dbraw/zinc/44/73/93/967447393.db2.gz LRVQPSSDGDHPBI-HNNXBMFYSA-N 2 1 248.370 2.269 20 0 BEADMP COc1cccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205266654 967455393 /nfs/dbraw/zinc/45/53/93/967455393.db2.gz VLZYTCTZSYCTQQ-HNNXBMFYSA-N 2 1 248.370 2.399 20 0 BEADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc(O)c2)CC1 ZINC001205266744 967456309 /nfs/dbraw/zinc/45/63/09/967456309.db2.gz XDPRLQDDQVOWBJ-AWEZNQCLSA-N 2 1 234.343 2.096 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)[nH]1 ZINC001205264789 967457051 /nfs/dbraw/zinc/45/70/51/967457051.db2.gz MLKIBCCHLODNGU-AWEZNQCLSA-N 2 1 235.375 2.335 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)[nH]1 ZINC001205265254 967458984 /nfs/dbraw/zinc/45/89/84/967458984.db2.gz PCZMFBVRGYZMGH-CYBMUJFWSA-N 2 1 221.348 2.026 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cn1 ZINC001205273242 967465504 /nfs/dbraw/zinc/46/55/04/967465504.db2.gz IQATYQCDYIWKKV-AWEZNQCLSA-N 2 1 233.359 2.093 20 0 BEADMP Cc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc(C)n1 ZINC001205280811 967470977 /nfs/dbraw/zinc/47/09/77/967470977.db2.gz JMRHZZTWMRNTPH-HNNXBMFYSA-N 2 1 247.386 2.402 20 0 BEADMP Cc1cc(O)cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205281527 967475911 /nfs/dbraw/zinc/47/59/11/967475911.db2.gz ULYGCISKMJRWLZ-HNNXBMFYSA-N 2 1 248.370 2.404 20 0 BEADMP CS[C@@H](C)CC[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205546027 967690315 /nfs/dbraw/zinc/69/03/15/967690315.db2.gz PDGGCIWHBLMORE-RYUDHWBXSA-N 2 1 248.411 2.281 20 0 BEADMP Cc1cnccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205602631 967719573 /nfs/dbraw/zinc/71/95/73/967719573.db2.gz KSPGCQQEZVNOMB-TZMCWYRMSA-N 2 1 247.386 2.197 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)[nH]1 ZINC001205618229 967729097 /nfs/dbraw/zinc/72/90/97/967729097.db2.gz SVGJCILYBLAVRH-YPMHNXCESA-N 2 1 235.375 2.130 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)nc1 ZINC001205626751 967736972 /nfs/dbraw/zinc/73/69/72/967736972.db2.gz IVWSSYLWYITVOC-UONOGXRCSA-N 2 1 247.386 2.197 20 0 BEADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cnc(C)o3)(C1)CCC2 ZINC001276484738 967835103 /nfs/dbraw/zinc/83/51/03/967835103.db2.gz TZCFZIAZAHPSHP-UONOGXRCSA-N 2 1 249.358 2.137 20 0 BEADMP C[C@@H]1C[N@@H+](CCC(F)(F)F)CCC[C@@H]1C[NH3+] ZINC001205984633 967931025 /nfs/dbraw/zinc/93/10/25/967931025.db2.gz SQWMARVTWJOKTJ-NXEZZACHSA-N 2 1 238.297 2.246 20 0 BEADMP CCCCC[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205984686 967932317 /nfs/dbraw/zinc/93/23/17/967932317.db2.gz UEBGOAMDNHBMQM-CHWSQXEVSA-N 2 1 212.381 2.483 20 0 BEADMP Cc1cccnc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205996548 967947036 /nfs/dbraw/zinc/94/70/36/967947036.db2.gz XEXVYGVTGIQLPQ-KGLIPLIRSA-N 2 1 247.386 2.197 20 0 BEADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)[nH]1 ZINC001205995474 967947861 /nfs/dbraw/zinc/94/78/61/967947861.db2.gz OIPQBBFNQYVEDB-AAEUAGOBSA-N 2 1 235.375 2.130 20 0 BEADMP Cc1c[nH]c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1C ZINC001206004359 967962859 /nfs/dbraw/zinc/96/28/59/967962859.db2.gz RWSGPBFJRVLWJX-JSGCOSHPSA-N 2 1 249.402 2.438 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC2(F)CC[NH2+]CC2)C[C@@H]1C ZINC001206110293 968068222 /nfs/dbraw/zinc/06/82/22/968068222.db2.gz SPFRZHIIOFUONI-OLZOCXBDSA-N 2 1 242.382 2.446 20 0 BEADMP C[C@@H](C[NH+](C)C)Nc1cc(OCC2CC2)cc[nH+]1 ZINC001163778480 968120216 /nfs/dbraw/zinc/12/02/16/968120216.db2.gz IHXHBCJRNMYDTK-NSHDSACASA-N 2 1 249.358 2.232 20 0 BEADMP CCc1ccc(C[N@@H+]2CCC[NH2+]C[C@@H]2C)cc1 ZINC001206257661 968176632 /nfs/dbraw/zinc/17/66/32/968176632.db2.gz GPLYPFUYXSSUIB-ZDUSSCGKSA-N 2 1 232.371 2.433 20 0 BEADMP CCc1ccc(C[N@H+]2CCC[NH2+]C[C@@H]2C)cc1 ZINC001206257661 968176638 /nfs/dbraw/zinc/17/66/38/968176638.db2.gz GPLYPFUYXSSUIB-ZDUSSCGKSA-N 2 1 232.371 2.433 20 0 BEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccoc2)CC1 ZINC001206296732 968204522 /nfs/dbraw/zinc/20/45/22/968204522.db2.gz UJMJKAYXENEDJQ-CYBMUJFWSA-N 2 1 222.332 2.231 20 0 BEADMP C[C@]1(C[NH3+])CCCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC001206542014 968355286 /nfs/dbraw/zinc/35/52/86/968355286.db2.gz PEVATNWFQNBGIR-UONOGXRCSA-N 2 1 240.391 2.006 20 0 BEADMP Cc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)ccn1 ZINC001206550222 968374824 /nfs/dbraw/zinc/37/48/24/968374824.db2.gz XVGNZZWQMLDTJC-OAHLLOKOSA-N 2 1 247.386 2.341 20 0 BEADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cncs2)C1 ZINC001206549549 968377430 /nfs/dbraw/zinc/37/74/30/968377430.db2.gz OQDPOYVGKAILJU-LBPRGKRZSA-N 2 1 239.388 2.094 20 0 BEADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cncs2)C1 ZINC001206549549 968377434 /nfs/dbraw/zinc/37/74/34/968377434.db2.gz OQDPOYVGKAILJU-LBPRGKRZSA-N 2 1 239.388 2.094 20 0 BEADMP Cc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cn1 ZINC001206555984 968379329 /nfs/dbraw/zinc/37/93/29/968379329.db2.gz LMEOVODWTCRCMC-HNNXBMFYSA-N 2 1 247.386 2.341 20 0 BEADMP Cc1cc(Nc2c[nH+]c(N(C)C)cc2C)cc[nH+]1 ZINC001206714473 968441408 /nfs/dbraw/zinc/44/14/08/968441408.db2.gz LAGRXBUJSFVWPL-UHFFFAOYSA-N 2 1 242.326 2.325 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001207279387 968709407 /nfs/dbraw/zinc/70/94/07/968709407.db2.gz LGKQPDXVJGACIH-NSHDSACASA-N 2 1 200.370 2.305 20 0 BEADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC(C)(C)C1 ZINC001207286482 968719750 /nfs/dbraw/zinc/71/97/50/968719750.db2.gz UBRVHWQMFGVWNQ-UHFFFAOYSA-N 2 1 212.381 2.306 20 0 BEADMP CC[N@H+](Cc1ccncc1)CC1CC[NH+](C)CC1 ZINC001207392191 968745955 /nfs/dbraw/zinc/74/59/55/968745955.db2.gz VVOOBIUWTWWYFE-UHFFFAOYSA-N 2 1 247.386 2.245 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)CC1 ZINC001207395039 968751491 /nfs/dbraw/zinc/75/14/91/968751491.db2.gz OJXSXWNQMFYGCH-CHWSQXEVSA-N 2 1 246.345 2.100 20 0 BEADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001207398309 968752329 /nfs/dbraw/zinc/75/23/29/968752329.db2.gz HBRQOIGDVHWSCL-OLZOCXBDSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)C2(CC2)C1 ZINC001207399819 968752880 /nfs/dbraw/zinc/75/28/80/968752880.db2.gz UWPNQMWQEZESLD-LBPRGKRZSA-N 2 1 222.376 2.203 20 0 BEADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001207436016 968768429 /nfs/dbraw/zinc/76/84/29/968768429.db2.gz RZNCDFWHZQUDPA-KGLIPLIRSA-N 2 1 222.376 2.108 20 0 BEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000829276001 968829046 /nfs/dbraw/zinc/82/90/46/968829046.db2.gz RLPKSISKKRXXLQ-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP CCCc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)nc(C)[nH+]1 ZINC001154986017 968840486 /nfs/dbraw/zinc/84/04/86/968840486.db2.gz QEVSHZMDBASBEO-YPMHNXCESA-N 2 1 248.374 2.419 20 0 BEADMP C[N@@H+](C[C@H]1C[C@H]2C=C[C@@H]1C2)CC1CC[NH+](C)CC1 ZINC001207626418 968840973 /nfs/dbraw/zinc/84/09/73/968840973.db2.gz FCCXXHNSCUBALW-ARFHVFGLSA-N 2 1 248.414 2.472 20 0 BEADMP CC[N@@H+]1C[C@@H]2C[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]2C1 ZINC001207633789 968852700 /nfs/dbraw/zinc/85/27/00/968852700.db2.gz AHMDPMKVRROYAA-CQJMVSDSSA-N 2 1 246.398 2.082 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]2C1 ZINC001207633789 968852703 /nfs/dbraw/zinc/85/27/03/968852703.db2.gz AHMDPMKVRROYAA-CQJMVSDSSA-N 2 1 246.398 2.082 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@H+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]2C1 ZINC001207633789 968852706 /nfs/dbraw/zinc/85/27/06/968852706.db2.gz AHMDPMKVRROYAA-CQJMVSDSSA-N 2 1 246.398 2.082 20 0 BEADMP C[N@@H+](Cc1ccccn1)CC1(C)CC[NH+](C)CC1 ZINC001208102561 968995896 /nfs/dbraw/zinc/99/58/96/968995896.db2.gz GAZXIANGBCSPKC-UHFFFAOYSA-N 2 1 247.386 2.245 20 0 BEADMP C[C@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208108635 969000117 /nfs/dbraw/zinc/00/01/17/969000117.db2.gz XBTGEINTBIDWJU-LBPRGKRZSA-N 2 1 210.365 2.060 20 0 BEADMP C[N@@H+](Cc1cccnc1)CC1(C)CC[NH+](C)CC1 ZINC001208102974 969001023 /nfs/dbraw/zinc/00/10/23/969001023.db2.gz ITBXLXDEGKIDSC-UHFFFAOYSA-N 2 1 247.386 2.245 20 0 BEADMP C[NH+]1CCC(C)(C[N@H+]2CCc3occc3C2)CC1 ZINC001208110229 969007233 /nfs/dbraw/zinc/00/72/33/969007233.db2.gz XKCAHPQQTDMMJP-UHFFFAOYSA-N 2 1 248.370 2.370 20 0 BEADMP C[NH+]1CCC(C)(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)CC1 ZINC001208110433 969008955 /nfs/dbraw/zinc/00/89/55/969008955.db2.gz RSPORCQFCDEAGD-AVGNSLFASA-N 2 1 240.366 2.008 20 0 BEADMP C[NH+]1CCC(C)(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001208114179 969009147 /nfs/dbraw/zinc/00/91/47/969009147.db2.gz TUGDHEIQIHVDGC-BETUJISGSA-N 2 1 236.403 2.306 20 0 BEADMP CC/C=C\CCC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001208137831 969050804 /nfs/dbraw/zinc/05/08/04/969050804.db2.gz JUGOZAHGOCLVDE-ARJAWSKDSA-N 2 1 233.359 2.488 20 0 BEADMP CC/C=C\CCC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001208137831 969050810 /nfs/dbraw/zinc/05/08/10/969050810.db2.gz JUGOZAHGOCLVDE-ARJAWSKDSA-N 2 1 233.359 2.488 20 0 BEADMP CCCC[N@@H+](CCC)C[C@@H](O)C[NH+](CC)CC ZINC001253186299 969103765 /nfs/dbraw/zinc/10/37/65/969103765.db2.gz NJAWLDYWEAHDCU-AWEZNQCLSA-N 2 1 244.423 2.201 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CC1 ZINC001208181611 969114374 /nfs/dbraw/zinc/11/43/74/969114374.db2.gz OKCOTTZFQXUUFF-XUWVNRHRSA-N 2 1 248.414 2.472 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CC1 ZINC001208181611 969114378 /nfs/dbraw/zinc/11/43/78/969114378.db2.gz OKCOTTZFQXUUFF-XUWVNRHRSA-N 2 1 248.414 2.472 20 0 BEADMP C[C@@H](C[NH3+])C[N@@H+](C)C1CCC2(CC2)CC1 ZINC000723428310 969145883 /nfs/dbraw/zinc/14/58/83/969145883.db2.gz XNHGGAMNIONXRJ-NSHDSACASA-N 2 1 210.365 2.236 20 0 BEADMP CC[NH+]1CCC(C[N@@H+](C)CC2CC2)CC1 ZINC001208594786 969152696 /nfs/dbraw/zinc/15/26/96/969152696.db2.gz NQTBYRBXQFCHHS-UHFFFAOYSA-N 2 1 210.365 2.060 20 0 BEADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC(F)(F)CC2)C1 ZINC001208605087 969154559 /nfs/dbraw/zinc/15/45/59/969154559.db2.gz YLHYKKULDVQTDX-NSHDSACASA-N 2 1 232.318 2.059 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(F)(F)CC2)C1 ZINC001208605087 969154560 /nfs/dbraw/zinc/15/45/60/969154560.db2.gz YLHYKKULDVQTDX-NSHDSACASA-N 2 1 232.318 2.059 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH+]2CCc3ccccc3C2)C1 ZINC001208605069 969154574 /nfs/dbraw/zinc/15/45/74/969154574.db2.gz XZFPIMOIUQHKQO-AWEZNQCLSA-N 2 1 244.382 2.387 20 0 BEADMP C[NH+]1CCC[C@H](C[N@@H+]2CCc3ccccc3C2)C1 ZINC001208605069 969154578 /nfs/dbraw/zinc/15/45/78/969154578.db2.gz XZFPIMOIUQHKQO-AWEZNQCLSA-N 2 1 244.382 2.387 20 0 BEADMP C[NH+]1CCC[C@H](C[N@H+]2CCc3ccccc3C2)C1 ZINC001208605069 969154581 /nfs/dbraw/zinc/15/45/81/969154581.db2.gz XZFPIMOIUQHKQO-AWEZNQCLSA-N 2 1 244.382 2.387 20 0 BEADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H](F)C2)C1 ZINC001208606490 969156967 /nfs/dbraw/zinc/15/69/67/969156967.db2.gz HBDNGYRIMIVKMC-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H](F)C2)C1 ZINC001208606490 969156974 /nfs/dbraw/zinc/15/69/74/969156974.db2.gz HBDNGYRIMIVKMC-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H](F)C2)C1 ZINC001208606490 969156979 /nfs/dbraw/zinc/15/69/79/969156979.db2.gz HBDNGYRIMIVKMC-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H](F)C2)C1 ZINC001208606490 969156983 /nfs/dbraw/zinc/15/69/83/969156983.db2.gz HBDNGYRIMIVKMC-CHWSQXEVSA-N 2 1 228.355 2.152 20 0 BEADMP CC(C)[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208612123 969171840 /nfs/dbraw/zinc/17/18/40/969171840.db2.gz BHRAHRKCODZWFT-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[C@H]1CCC[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208612123 969171846 /nfs/dbraw/zinc/17/18/46/969171846.db2.gz BHRAHRKCODZWFT-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[C@H]1CCC[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC001208612123 969171852 /nfs/dbraw/zinc/17/18/52/969171852.db2.gz BHRAHRKCODZWFT-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)[C@H]1CCC[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC001208612123 969171864 /nfs/dbraw/zinc/17/18/64/969171864.db2.gz BHRAHRKCODZWFT-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP CC[N@@H+](Cc1ccccn1)C[C@H]1CCC[NH+](C)C1 ZINC001208613212 969172256 /nfs/dbraw/zinc/17/22/56/969172256.db2.gz RSPNSOYDKLZQCF-AWEZNQCLSA-N 2 1 247.386 2.245 20 0 BEADMP CC[N@H+](Cc1ccccn1)C[C@H]1CCC[NH+](C)C1 ZINC001208613212 969172260 /nfs/dbraw/zinc/17/22/60/969172260.db2.gz RSPNSOYDKLZQCF-AWEZNQCLSA-N 2 1 247.386 2.245 20 0 BEADMP CC[NH+](Cc1ccccn1)C[C@H]1CCC[N@H+](C)C1 ZINC001208613212 969172268 /nfs/dbraw/zinc/17/22/68/969172268.db2.gz RSPNSOYDKLZQCF-AWEZNQCLSA-N 2 1 247.386 2.245 20 0 BEADMP CC[NH+](Cc1ccccn1)C[C@H]1CCC[N@@H+](C)C1 ZINC001208613212 969172274 /nfs/dbraw/zinc/17/22/74/969172274.db2.gz RSPNSOYDKLZQCF-AWEZNQCLSA-N 2 1 247.386 2.245 20 0 BEADMP Cc1cc(N)[nH+]cc1-c1ccc2c(c1)CC[NH2+]C2 ZINC001242084557 969202158 /nfs/dbraw/zinc/20/21/58/969202158.db2.gz UCVFDROJUQNCPA-UHFFFAOYSA-N 2 1 239.322 2.285 20 0 BEADMP Cc1cncc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001205993524 969228591 /nfs/dbraw/zinc/22/85/91/969228591.db2.gz HZDXHXGFXVERKA-ZFWWWQNUSA-N 2 1 247.386 2.197 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2cccc(O)c2)CCC[C@@H]1C[NH3+] ZINC001205994872 969249684 /nfs/dbraw/zinc/24/96/84/969249684.db2.gz MRXXEWXQTKUXRF-TZMCWYRMSA-N 2 1 248.370 2.199 20 0 BEADMP CCCC[NH+]1CCC([N@@H+](C)CCCOC)CC1 ZINC001209055990 969338829 /nfs/dbraw/zinc/33/88/29/969338829.db2.gz LATPEQGRKLLGEN-UHFFFAOYSA-N 2 1 242.407 2.219 20 0 BEADMP CC[C@H](C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078822 969396216 /nfs/dbraw/zinc/39/62/16/969396216.db2.gz HNSQLEUDVURXFO-ZDEQEGDKSA-N 2 1 210.365 2.247 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCC(F)CC1)C2 ZINC001169079665 969396303 /nfs/dbraw/zinc/39/63/03/969396303.db2.gz KIRXHLZLGCJSQN-UMHABRDISA-N 2 1 240.366 2.482 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[Si](C)(C)C)C2 ZINC001169101187 969398491 /nfs/dbraw/zinc/39/84/91/969398491.db2.gz OVQYXXJIRYIMJY-CNDDSTCGSA-N 2 1 226.440 2.079 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[Si](C)(C)C)C2 ZINC001169101187 969398493 /nfs/dbraw/zinc/39/84/93/969398493.db2.gz OVQYXXJIRYIMJY-CNDDSTCGSA-N 2 1 226.440 2.079 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@H](F)CC1)C2 ZINC001169079240 969399231 /nfs/dbraw/zinc/39/92/31/969399231.db2.gz KIRXHLZLGCJSQN-KYGRNUTJSA-N 2 1 240.366 2.482 20 0 BEADMP Cc1cncc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169081779 969401554 /nfs/dbraw/zinc/40/15/54/969401554.db2.gz WIDICUQYCYVUSO-QDMKHBRRSA-N 2 1 245.370 2.105 20 0 BEADMP Cc1cncc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169081779 969401558 /nfs/dbraw/zinc/40/15/58/969401558.db2.gz WIDICUQYCYVUSO-QDMKHBRRSA-N 2 1 245.370 2.105 20 0 BEADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC001169082479 969403132 /nfs/dbraw/zinc/40/31/32/969403132.db2.gz ZSEGKKPMXQEOKZ-REBRKWNGSA-N 2 1 245.370 2.357 20 0 BEADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC001169082479 969403133 /nfs/dbraw/zinc/40/31/33/969403133.db2.gz ZSEGKKPMXQEOKZ-REBRKWNGSA-N 2 1 245.370 2.357 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)C2 ZINC001169081360 969405097 /nfs/dbraw/zinc/40/50/97/969405097.db2.gz RYWKNOQICIUYQJ-KSTCHIGDSA-N 2 1 240.366 2.482 20 0 BEADMP C[C@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169123420 969418886 /nfs/dbraw/zinc/41/88/86/969418886.db2.gz LGOKUHAUQIJXDM-IGQOVBAYSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169123420 969418894 /nfs/dbraw/zinc/41/88/94/969418894.db2.gz LGOKUHAUQIJXDM-IGQOVBAYSA-N 2 1 222.376 2.344 20 0 BEADMP C[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169123420 969418897 /nfs/dbraw/zinc/41/88/97/969418897.db2.gz LGOKUHAUQIJXDM-IGQOVBAYSA-N 2 1 222.376 2.344 20 0 BEADMP CC(C)C[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169123850 969421840 /nfs/dbraw/zinc/42/18/40/969421840.db2.gz NFWFIHGJHDRVBL-CLLJXQQHSA-N 2 1 210.365 2.199 20 0 BEADMP CC(C)C[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123850 969421830 /nfs/dbraw/zinc/42/18/30/969421830.db2.gz NFWFIHGJHDRVBL-CLLJXQQHSA-N 2 1 210.365 2.199 20 0 BEADMP CC(C)C[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169123850 969421835 /nfs/dbraw/zinc/42/18/35/969421835.db2.gz NFWFIHGJHDRVBL-CLLJXQQHSA-N 2 1 210.365 2.199 20 0 BEADMP C[C@@H]1C[C@@H](F)C[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126106 969425079 /nfs/dbraw/zinc/42/50/79/969425079.db2.gz PPDIHFOCCWNNPC-KVSVUVNWSA-N 2 1 226.339 2.044 20 0 BEADMP C[C@@H]1C[C@@H](F)C[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126106 969425083 /nfs/dbraw/zinc/42/50/83/969425083.db2.gz PPDIHFOCCWNNPC-KVSVUVNWSA-N 2 1 226.339 2.044 20 0 BEADMP C[C@@H]1C[C@@H](F)C[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126106 969425088 /nfs/dbraw/zinc/42/50/88/969425088.db2.gz PPDIHFOCCWNNPC-KVSVUVNWSA-N 2 1 226.339 2.044 20 0 BEADMP C[C@@H]1C[C@@H](F)C[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126106 969425090 /nfs/dbraw/zinc/42/50/90/969425090.db2.gz PPDIHFOCCWNNPC-KVSVUVNWSA-N 2 1 226.339 2.044 20 0 BEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC[C@H](F)C1)C2 ZINC001169126562 969431141 /nfs/dbraw/zinc/43/11/41/969431141.db2.gz WJMJAGXIPJWLHS-FQUUOJAGSA-N 2 1 240.366 2.436 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC[C@H](F)C1)C2 ZINC001169126562 969431145 /nfs/dbraw/zinc/43/11/45/969431145.db2.gz WJMJAGXIPJWLHS-FQUUOJAGSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC[C@H](F)C1)C2 ZINC001169126562 969431148 /nfs/dbraw/zinc/43/11/48/969431148.db2.gz WJMJAGXIPJWLHS-FQUUOJAGSA-N 2 1 240.366 2.436 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC[C@H](F)C1)C2 ZINC001169126562 969431152 /nfs/dbraw/zinc/43/11/52/969431152.db2.gz WJMJAGXIPJWLHS-FQUUOJAGSA-N 2 1 240.366 2.436 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC3CCC1CC3)C2 ZINC001169142637 969451126 /nfs/dbraw/zinc/45/11/26/969451126.db2.gz DYSMVBOPNLXHGR-YJIWRGBVSA-N 2 1 234.387 2.486 20 0 BEADMP C[C@H]1CC(C[N@@H+](C)CCC[NH+](C)C)C[C@H](C)O1 ZINC001209378722 969451533 /nfs/dbraw/zinc/45/15/33/969451533.db2.gz MWGRDQYMHRVDGH-STQMWFEESA-N 2 1 242.407 2.074 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1Cc3ccncc3C1)C2 ZINC001169142314 969451816 /nfs/dbraw/zinc/45/18/16/969451816.db2.gz TUBQULHGCYYCIX-FICVDOATSA-N 2 1 243.354 2.022 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](CF)C1)C2 ZINC001169142796 969452638 /nfs/dbraw/zinc/45/26/38/969452638.db2.gz VXSKCKDKLRTOTK-FQUUOJAGSA-N 2 1 240.366 2.293 20 0 BEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H](CF)C1)C2 ZINC001169142796 969452649 /nfs/dbraw/zinc/45/26/49/969452649.db2.gz VXSKCKDKLRTOTK-FQUUOJAGSA-N 2 1 240.366 2.293 20 0 BEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC=CCC1)C2 ZINC001169115631 969454571 /nfs/dbraw/zinc/45/45/71/969454571.db2.gz LSDHQZBBRRRMPY-XDQVBPFNSA-N 2 1 220.360 2.310 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001209412985 969478464 /nfs/dbraw/zinc/47/84/64/969478464.db2.gz JQGOAEPMFWLJIE-TZMCWYRMSA-N 2 1 234.387 2.060 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001209412985 969478468 /nfs/dbraw/zinc/47/84/68/969478468.db2.gz JQGOAEPMFWLJIE-TZMCWYRMSA-N 2 1 234.387 2.060 20 0 BEADMP C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001209452426 969519073 /nfs/dbraw/zinc/51/90/73/969519073.db2.gz OTSCCUPDJDIVEM-KGLIPLIRSA-N 2 1 222.376 2.347 20 0 BEADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001209452426 969519082 /nfs/dbraw/zinc/51/90/82/969519082.db2.gz OTSCCUPDJDIVEM-KGLIPLIRSA-N 2 1 222.376 2.347 20 0 BEADMP CCN1CCC([N@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC001169246676 969534538 /nfs/dbraw/zinc/53/45/38/969534538.db2.gz UOVRTILIAQFLPG-BETUJISGSA-N 2 1 222.376 2.203 20 0 BEADMP CC[NH+]1CCC([N@@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC001169246676 969534544 /nfs/dbraw/zinc/53/45/44/969534544.db2.gz UOVRTILIAQFLPG-BETUJISGSA-N 2 1 222.376 2.203 20 0 BEADMP CC[NH+]1CCC([N@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC001169246676 969534549 /nfs/dbraw/zinc/53/45/49/969534549.db2.gz UOVRTILIAQFLPG-BETUJISGSA-N 2 1 222.376 2.203 20 0 BEADMP CC[NH+]1CCC([N@@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC001169258358 969544919 /nfs/dbraw/zinc/54/49/19/969544919.db2.gz JPKUGMBHHOKQQJ-LBPRGKRZSA-N 2 1 244.329 2.202 20 0 BEADMP CC[NH+]1CCC([N@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC001169258358 969544929 /nfs/dbraw/zinc/54/49/29/969544929.db2.gz JPKUGMBHHOKQQJ-LBPRGKRZSA-N 2 1 244.329 2.202 20 0 BEADMP Nc1cc[nH+]cc1C[N@@H+]1CCCC2(CCC2)C1 ZINC001209733382 969594525 /nfs/dbraw/zinc/59/45/25/969594525.db2.gz VFQJOWVUOJGATG-UHFFFAOYSA-N 2 1 231.343 2.260 20 0 BEADMP Nc1cc[nH+]cc1C[N@H+]1CCCC2(CCC2)C1 ZINC001209733382 969594530 /nfs/dbraw/zinc/59/45/30/969594530.db2.gz VFQJOWVUOJGATG-UHFFFAOYSA-N 2 1 231.343 2.260 20 0 BEADMP C[C@H](C[NH3+])C[N@@H+](C)C1CCc2ccccc2CC1 ZINC001254454865 969641645 /nfs/dbraw/zinc/64/16/45/969641645.db2.gz JCHPOKAHKOPQIB-CYBMUJFWSA-N 2 1 246.398 2.461 20 0 BEADMP C[N@H+]1CCC[C@H](Nc2cccc(C[NH3+])c2)CC1 ZINC001254500147 969657093 /nfs/dbraw/zinc/65/70/93/969657093.db2.gz GFKAUMZVRKFAOA-ZDUSSCGKSA-N 2 1 233.359 2.042 20 0 BEADMP C[C@H]1CCC[C@H]1[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254500673 969658027 /nfs/dbraw/zinc/65/80/27/969658027.db2.gz XXOKNWRMXQAIGF-RWMBFGLXSA-N 2 1 210.365 2.249 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001254499209 969659492 /nfs/dbraw/zinc/65/94/92/969659492.db2.gz COOIREBYZWWATD-RYUDHWBXSA-N 2 1 246.345 2.496 20 0 BEADMP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3cccnc32)CC1 ZINC001254503639 969668100 /nfs/dbraw/zinc/66/81/00/969668100.db2.gz OAEOCDIWJGAWGL-UONOGXRCSA-N 2 1 245.370 2.143 20 0 BEADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3cccnc32)CC1 ZINC001254503639 969668108 /nfs/dbraw/zinc/66/81/08/969668108.db2.gz OAEOCDIWJGAWGL-UONOGXRCSA-N 2 1 245.370 2.143 20 0 BEADMP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3cccnc32)CC1 ZINC001254503640 969669496 /nfs/dbraw/zinc/66/94/96/969669496.db2.gz OAEOCDIWJGAWGL-ZIAGYGMSSA-N 2 1 245.370 2.143 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3cccnc32)CC1 ZINC001254503640 969669510 /nfs/dbraw/zinc/66/95/10/969669510.db2.gz OAEOCDIWJGAWGL-ZIAGYGMSSA-N 2 1 245.370 2.143 20 0 BEADMP CO[C@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254505057 969671248 /nfs/dbraw/zinc/67/12/48/969671248.db2.gz YNAMSNLIZSIUHO-MGPQQGTHSA-N 2 1 240.391 2.018 20 0 BEADMP Cc1ccnc(CC[NH2+][C@H]2CCC[N@H+](C)CC2)c1 ZINC001254505892 969672591 /nfs/dbraw/zinc/67/25/91/969672591.db2.gz KZHHZWMYXQUVCU-AWEZNQCLSA-N 2 1 247.386 2.006 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccc(N)cc1 ZINC001254506812 969672980 /nfs/dbraw/zinc/67/29/80/969672980.db2.gz ATXGNMISESYXHR-SWLSCSKDSA-N 2 1 247.386 2.404 20 0 BEADMP CO[C@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254505056 969674037 /nfs/dbraw/zinc/67/40/37/969674037.db2.gz YNAMSNLIZSIUHO-IHRRRGAJSA-N 2 1 240.391 2.018 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2CCCC[C@@H](F)C2)CC1 ZINC001254516446 969687977 /nfs/dbraw/zinc/68/79/77/969687977.db2.gz MLMMHUPJBRLPSO-CHWSQXEVSA-N 2 1 228.355 2.295 20 0 BEADMP C[NH+]1CCC[C@@H]([N@@H+]2CCCC[C@@H](F)C2)CC1 ZINC001254516446 969687985 /nfs/dbraw/zinc/68/79/85/969687985.db2.gz MLMMHUPJBRLPSO-CHWSQXEVSA-N 2 1 228.355 2.295 20 0 BEADMP C[NH+]1CCC[C@@H]([N@H+]2CCCC[C@@H](F)C2)CC1 ZINC001254516446 969687990 /nfs/dbraw/zinc/68/79/90/969687990.db2.gz MLMMHUPJBRLPSO-CHWSQXEVSA-N 2 1 228.355 2.295 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2CCC3(CC3)CC2)CC1 ZINC001254518851 969701921 /nfs/dbraw/zinc/70/19/21/969701921.db2.gz FAAWJHZONVLOHF-CYBMUJFWSA-N 2 1 222.376 2.347 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@H](C(F)F)C2)CC1 ZINC001254525425 969715120 /nfs/dbraw/zinc/71/51/20/969715120.db2.gz IETKYSJNCQSNSZ-NEPJUHHUSA-N 2 1 246.345 2.448 20 0 BEADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@H](C(F)F)C2)CC1 ZINC001254525425 969715126 /nfs/dbraw/zinc/71/51/26/969715126.db2.gz IETKYSJNCQSNSZ-NEPJUHHUSA-N 2 1 246.345 2.448 20 0 BEADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@H](C(F)F)C2)CC1 ZINC001254525425 969715129 /nfs/dbraw/zinc/71/51/29/969715129.db2.gz IETKYSJNCQSNSZ-NEPJUHHUSA-N 2 1 246.345 2.448 20 0 BEADMP C[N@@H+](CCc1cccnc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254525448 969717271 /nfs/dbraw/zinc/71/72/71/969717271.db2.gz ISMBUIRCJDXTGJ-OAHLLOKOSA-N 2 1 247.386 2.040 20 0 BEADMP C[NH+](CCc1cccnc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254525448 969717277 /nfs/dbraw/zinc/71/72/77/969717277.db2.gz ISMBUIRCJDXTGJ-OAHLLOKOSA-N 2 1 247.386 2.040 20 0 BEADMP C[NH+](CCc1cccnc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254525448 969717286 /nfs/dbraw/zinc/71/72/86/969717286.db2.gz ISMBUIRCJDXTGJ-OAHLLOKOSA-N 2 1 247.386 2.040 20 0 BEADMP Cc1cc[nH+]c(C)c1NCC[C@H]1CCC[NH2+]1 ZINC001169567277 969765791 /nfs/dbraw/zinc/76/57/91/969765791.db2.gz IYZKSVNWOLOAKD-GFCCVEGCSA-N 2 1 219.332 2.252 20 0 BEADMP [NH3+]CCCc1[nH+]ccn1C1Cc2ccccc2C1 ZINC001255019574 969849600 /nfs/dbraw/zinc/84/96/00/969849600.db2.gz MAQUFXPJZOBCDF-UHFFFAOYSA-N 2 1 241.338 2.114 20 0 BEADMP CC/C=C\CCC[N@H+]1CC[NH2+][C@H](C)CC1 ZINC001210474236 969899484 /nfs/dbraw/zinc/89/94/84/969899484.db2.gz FFHXXWUDPURPLT-DSYXLKISSA-N 2 1 210.365 2.417 20 0 BEADMP CCc1cccc(C[N@@H+]2CC[NH2+][C@H](C)CC2)c1 ZINC001210499233 969909213 /nfs/dbraw/zinc/90/92/13/969909213.db2.gz TYWCVMGDEBHRLC-CYBMUJFWSA-N 2 1 232.371 2.433 20 0 BEADMP CCc1cccc(C[N@H+]2CC[NH2+][C@H](C)CC2)c1 ZINC001210499233 969909221 /nfs/dbraw/zinc/90/92/21/969909221.db2.gz TYWCVMGDEBHRLC-CYBMUJFWSA-N 2 1 232.371 2.433 20 0 BEADMP CCc1cccc(C)c1C[NH+]1CC(C[NH2+]C)C1 ZINC001210561486 969941039 /nfs/dbraw/zinc/94/10/39/969941039.db2.gz MZFUMIBIYPXBPM-UHFFFAOYSA-N 2 1 232.371 2.209 20 0 BEADMP Cc1cc2cc(C[NH3+])ccc2n1[C@@H]1CC[N@H+](C)C1 ZINC001255414127 970136009 /nfs/dbraw/zinc/13/60/09/970136009.db2.gz QLBXUFAQEQESJX-CQSZACIVSA-N 2 1 243.354 2.285 20 0 BEADMP CC[NH+]1CCC([NH2+]C2CC3(CC3(F)F)C2)CC1 ZINC001327845407 1169943590 /nfs/dbraw/zinc/94/35/90/1169943590.db2.gz PDEXIBOOBJEWDQ-UHFFFAOYSA-N 2 1 244.329 2.248 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001170103234 970298060 /nfs/dbraw/zinc/29/80/60/970298060.db2.gz DSABJECGWJNNGA-YNEHKIRRSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[N@@H+](C2)[C@@H]3C)C1 ZINC001170109922 970323246 /nfs/dbraw/zinc/32/32/46/970323246.db2.gz SOHBPMGHDRVCIW-POQQGIQPSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1CC[C@@H]([N@@H+](C)C2CCN(C)CC2)C1 ZINC001170124229 970368555 /nfs/dbraw/zinc/36/85/55/970368555.db2.gz FVPPQXYIYHLJOA-DGCLKSJQSA-N 2 1 210.365 2.201 20 0 BEADMP COC[C@@H](C)[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001255575844 970368941 /nfs/dbraw/zinc/36/89/41/970368941.db2.gz JVXKZBQTZAMONP-CYBMUJFWSA-N 2 1 242.407 2.074 20 0 BEADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccno1 ZINC001255675743 970453905 /nfs/dbraw/zinc/45/39/05/970453905.db2.gz GSBFTRLSJOVJCQ-ODWCKFRGSA-N 2 1 249.358 2.341 20 0 BEADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccno1 ZINC001255675743 970453909 /nfs/dbraw/zinc/45/39/09/970453909.db2.gz GSBFTRLSJOVJCQ-ODWCKFRGSA-N 2 1 249.358 2.341 20 0 BEADMP [NH3+]CC1([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001255700174 970458229 /nfs/dbraw/zinc/45/82/29/970458229.db2.gz KBSPUKLOZIFONN-RKDXNWHRSA-N 2 1 236.281 2.188 20 0 BEADMP CC[C@H]1C[C@@H]([N@@H+](CCC[NH3+])C(C)C)CCO1 ZINC001170171047 970543849 /nfs/dbraw/zinc/54/38/49/970543849.db2.gz OOUKXELEWBAUAR-STQMWFEESA-N 2 1 228.380 2.003 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2CC3CCC2CC3)CC[C@@H]1[NH3+] ZINC000400098114 970550107 /nfs/dbraw/zinc/55/01/07/970550107.db2.gz FFSDZUGPNASAHM-RUOPDXTDSA-N 2 1 236.403 2.482 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000400131571 970550571 /nfs/dbraw/zinc/55/05/71/970550571.db2.gz VGFZHIKAIFMQNU-GNRIBBGQSA-N 2 1 222.376 2.093 20 0 BEADMP Cc1ncc(C[N@@H+](C)CCCCCC[NH3+])s1 ZINC000400187163 970559517 /nfs/dbraw/zinc/55/95/17/970559517.db2.gz XJHZVKMUEIEWFB-UHFFFAOYSA-N 2 1 241.404 2.402 20 0 BEADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)CCO1 ZINC001170171619 970564337 /nfs/dbraw/zinc/56/43/37/970564337.db2.gz UDTRZWWFLCSWJE-BFHYXJOUSA-N 2 1 240.391 2.018 20 0 BEADMP CC[NH+](CC)CC[C@H](C)[NH+]1CC([C@@H](C)OC)C1 ZINC001255970753 970607405 /nfs/dbraw/zinc/60/74/05/970607405.db2.gz FPBUHCQEOPRMSD-QWHCGFSZSA-N 2 1 242.407 2.074 20 0 BEADMP FC1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001256065832 970633220 /nfs/dbraw/zinc/63/32/20/970633220.db2.gz HKQQFOILNYEXNL-UHFFFAOYSA-N 2 1 240.366 2.484 20 0 BEADMP C[NH+]1CCC([NH2+]C2CC3(C2)CC(F)(F)C3)CC1 ZINC001256199473 970695127 /nfs/dbraw/zinc/69/51/27/970695127.db2.gz ATNDRFIPGSNJQP-UHFFFAOYSA-N 2 1 244.329 2.248 20 0 BEADMP C[NH+]1CCC([NH2+]C2(CC3CC3)CC2)CC1 ZINC001256201277 970697947 /nfs/dbraw/zinc/69/79/47/970697947.db2.gz BSESQUQAXRZINR-UHFFFAOYSA-N 2 1 208.349 2.003 20 0 BEADMP C[C@@H]1[C@@H](C)CCC[N@@H+]1C1CCN(C)CC1 ZINC001256207229 970711398 /nfs/dbraw/zinc/71/13/98/970711398.db2.gz DAHXUSYAADEEHS-NWDGAFQWSA-N 2 1 210.365 2.201 20 0 BEADMP CN1CCC([N@@H+]2Cc3ccc(F)cc3C2)CC1 ZINC001256207167 970711781 /nfs/dbraw/zinc/71/17/81/970711781.db2.gz ARFXAQUHCVRZOM-UHFFFAOYSA-N 2 1 234.318 2.236 20 0 BEADMP CN1CCC([N@H+]2Cc3ccc(F)cc3C2)CC1 ZINC001256207167 970711788 /nfs/dbraw/zinc/71/17/88/970711788.db2.gz ARFXAQUHCVRZOM-UHFFFAOYSA-N 2 1 234.318 2.236 20 0 BEADMP CC(C)[C@H]1CCC[N@H+]1C1CCN(C)CC1 ZINC001256211035 970718785 /nfs/dbraw/zinc/71/87/85/970718785.db2.gz QFUCFJVSAVNRHH-CYBMUJFWSA-N 2 1 210.365 2.201 20 0 BEADMP C[NH+]1CCC([N@@H+]2CCCCC23CC3)CC1 ZINC001256209601 970721136 /nfs/dbraw/zinc/72/11/36/970721136.db2.gz ZRCPYDJXUKBCHK-UHFFFAOYSA-N 2 1 208.349 2.099 20 0 BEADMP C[NH+]1CCC([N@H+]2CCCCC23CC3)CC1 ZINC001256209601 970721147 /nfs/dbraw/zinc/72/11/47/970721147.db2.gz ZRCPYDJXUKBCHK-UHFFFAOYSA-N 2 1 208.349 2.099 20 0 BEADMP Cc1cccc2c1CC[N@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246550314 972699104 /nfs/dbraw/zinc/69/91/04/972699104.db2.gz VIXGTXCIWCJFAA-HIFRSBDPSA-N 2 1 244.382 2.494 20 0 BEADMP Cc1cccc2c1CC[N@H+]([C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246550318 972702821 /nfs/dbraw/zinc/70/28/21/972702821.db2.gz VIXGTXCIWCJFAA-ZFWWWQNUSA-N 2 1 244.382 2.494 20 0 BEADMP C[C@@H]1CC([N@H+]2CCC[C@](C)([NH3+])CC2)C[C@@H](C)O1 ZINC001246550488 972711640 /nfs/dbraw/zinc/71/16/40/972711640.db2.gz JNKCTQURIROZRE-BZPMIXESSA-N 2 1 240.391 2.146 20 0 BEADMP COC1CCC([N@H+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246553391 972751377 /nfs/dbraw/zinc/75/13/77/972751377.db2.gz RKBGGVAEFGIRAT-RUXDESIVSA-N 2 1 240.391 2.147 20 0 BEADMP c1ccc(C[C@@H]2CC[N@@H+]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001246789640 973097676 /nfs/dbraw/zinc/09/76/76/973097676.db2.gz DANSNFKKIRBENB-JKSUJKDBSA-N 2 1 244.382 2.303 20 0 BEADMP c1ccc(C[C@@H]2CC[N@H+]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001246789640 973097688 /nfs/dbraw/zinc/09/76/88/973097688.db2.gz DANSNFKKIRBENB-JKSUJKDBSA-N 2 1 244.382 2.303 20 0 BEADMP COC(C)(C)[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246811816 973110945 /nfs/dbraw/zinc/11/09/45/973110945.db2.gz XMXHUXTUYZPDAC-UPJWGTAASA-N 2 1 240.391 2.016 20 0 BEADMP CC1(C)CCC[C@H]([N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC001246848420 973152576 /nfs/dbraw/zinc/15/25/76/973152576.db2.gz VIAJSSHAJFGBNE-IHRRRGAJSA-N 2 1 236.403 2.497 20 0 BEADMP CC1(C)CCC[C@H]([N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC001246848424 973153815 /nfs/dbraw/zinc/15/38/15/973153815.db2.gz VIAJSSHAJFGBNE-MJBXVCDLSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H]1CCC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)C1 ZINC001246867593 973235345 /nfs/dbraw/zinc/23/53/45/973235345.db2.gz PMPOMMLRPUTAOX-XUXIUFHCSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)C[C@@H]1C ZINC001246870044 973247628 /nfs/dbraw/zinc/24/76/28/973247628.db2.gz YDIUWPDLKVJLOP-QTVXIADOSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@H]1C[C@@H]1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329433400 973769673 /nfs/dbraw/zinc/76/96/73/973769673.db2.gz NAZQHWCFYMACHC-QWHCGFSZSA-N 2 1 222.376 2.108 20 0 BEADMP Cc1cccc(N2CCC3(CC[N@@H+](C)C3)CC2)[nH+]1 ZINC001276981261 973775000 /nfs/dbraw/zinc/77/50/00/973775000.db2.gz VTOMFDQDMQRHHL-UHFFFAOYSA-N 2 1 245.370 2.312 20 0 BEADMP Cc1cccc(N2CCC3(CC[N@H+](C)C3)CC2)[nH+]1 ZINC001276981261 973775006 /nfs/dbraw/zinc/77/50/06/973775006.db2.gz VTOMFDQDMQRHHL-UHFFFAOYSA-N 2 1 245.370 2.312 20 0 BEADMP CC(C)CCC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206155411 974263343 /nfs/dbraw/zinc/26/33/43/974263343.db2.gz LIIHLFPMLZXWJZ-VXGBXAGGSA-N 2 1 216.344 2.184 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206155411 974263353 /nfs/dbraw/zinc/26/33/53/974263353.db2.gz LIIHLFPMLZXWJZ-VXGBXAGGSA-N 2 1 216.344 2.184 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](C[C@H]2CC=CCC2)CC[C@H]1F ZINC001206155568 974329093 /nfs/dbraw/zinc/32/90/93/974329093.db2.gz MGGVDBYUVHOCRS-YNEHKIRRSA-N 2 1 226.339 2.104 20 0 BEADMP N[C@@H]1CC[N@@H+](C[C@H]2CC=CCC2)CC[C@H]1F ZINC001206155568 974329069 /nfs/dbraw/zinc/32/90/69/974329069.db2.gz MGGVDBYUVHOCRS-YNEHKIRRSA-N 2 1 226.339 2.104 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](C[C@H]2CC=CCC2)CC[C@H]1F ZINC001206155568 974329081 /nfs/dbraw/zinc/32/90/81/974329081.db2.gz MGGVDBYUVHOCRS-YNEHKIRRSA-N 2 1 226.339 2.104 20 0 BEADMP [NH3+][C@@H]1CC[N@H+](Cc2cccc(F)c2)CC[C@@H]1F ZINC001206154528 974334331 /nfs/dbraw/zinc/33/43/31/974334331.db2.gz JTDVOPRVAMWJAC-QWHCGFSZSA-N 2 1 240.297 2.087 20 0 BEADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(F)c2)CC[C@@H]1F ZINC001206154528 974334342 /nfs/dbraw/zinc/33/43/42/974334342.db2.gz JTDVOPRVAMWJAC-QWHCGFSZSA-N 2 1 240.297 2.087 20 0 BEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@@H](F)C1)C2 ZINC001172098521 974341157 /nfs/dbraw/zinc/34/11/57/974341157.db2.gz FMXHXHGBFRTMDP-XGFWRYKXSA-N 2 1 240.366 2.482 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@@H](F)C1)C2 ZINC001172098521 974341163 /nfs/dbraw/zinc/34/11/63/974341163.db2.gz FMXHXHGBFRTMDP-XGFWRYKXSA-N 2 1 240.366 2.482 20 0 BEADMP CCC[C@H](C)C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156241 974342385 /nfs/dbraw/zinc/34/23/85/974342385.db2.gz PGFZUGGEWANAQA-QJPTWQEYSA-N 2 1 216.344 2.184 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156241 974342392 /nfs/dbraw/zinc/34/23/92/974342392.db2.gz PGFZUGGEWANAQA-QJPTWQEYSA-N 2 1 216.344 2.184 20 0 BEADMP CCCOCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104282 974365447 /nfs/dbraw/zinc/36/54/47/974365447.db2.gz DTUZQCDTTRGJRD-BTTYYORXSA-N 2 1 240.391 2.018 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccoc1)C2 ZINC001172104772 974368391 /nfs/dbraw/zinc/36/83/91/974368391.db2.gz GAYPWFWSNCXZNH-BTTYYORXSA-N 2 1 234.343 2.385 20 0 BEADMP CC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104879 974369325 /nfs/dbraw/zinc/36/93/25/974369325.db2.gz GORYAUHYKYPJNK-ZDEQEGDKSA-N 2 1 210.365 2.390 20 0 BEADMP CC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104879 974369339 /nfs/dbraw/zinc/36/93/39/974369339.db2.gz GORYAUHYKYPJNK-ZDEQEGDKSA-N 2 1 210.365 2.390 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cccc1CC[NH3+])C2 ZINC001172113367 974378796 /nfs/dbraw/zinc/37/87/96/974378796.db2.gz CKYKJECCAVAAPC-FICVDOATSA-N 2 1 247.386 2.177 20 0 BEADMP CC[NH+](CC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114092 974386215 /nfs/dbraw/zinc/38/62/15/974386215.db2.gz PDLAPTXWSPIFKR-ITGUQSILSA-N 2 1 210.365 2.344 20 0 BEADMP CC[NH+](CC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172114092 974386225 /nfs/dbraw/zinc/38/62/25/974386225.db2.gz PDLAPTXWSPIFKR-ITGUQSILSA-N 2 1 210.365 2.344 20 0 BEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC3CC(C3)C1)C2 ZINC001172122340 974392874 /nfs/dbraw/zinc/39/28/74/974392874.db2.gz ACPSJVOXFUABLX-YJIWRGBVSA-N 2 1 234.387 2.344 20 0 BEADMP CC[N@H+]1CC[C@H](Oc2ccc(C[NH+](C)C)cc2)C1 ZINC001225330967 974410098 /nfs/dbraw/zinc/41/00/98/974410098.db2.gz UXPUVDHSNGZARW-HNNXBMFYSA-N 2 1 248.370 2.221 20 0 BEADMP CCOCC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001172410558 974673108 /nfs/dbraw/zinc/67/31/08/974673108.db2.gz HUPCLGUULQNZKY-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP COCC1([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCC1 ZINC001331294200 974674244 /nfs/dbraw/zinc/67/42/44/974674244.db2.gz AENWICQYPBRQHS-LBPRGKRZSA-N 2 1 240.391 2.018 20 0 BEADMP CCOCC[C@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001172425072 974700898 /nfs/dbraw/zinc/70/08/98/974700898.db2.gz STGFYTBOHUPQGI-ZDUSSCGKSA-N 2 1 242.407 2.075 20 0 BEADMP CC(C)OCC[C@H](C)[N@@H+](CCC[NH3+])C(C)C ZINC001172434953 974744496 /nfs/dbraw/zinc/74/44/96/974744496.db2.gz WCZNMJNNONNWJH-ZDUSSCGKSA-N 2 1 230.396 2.249 20 0 BEADMP CC[C@@H](CC(C)C)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001172394487 974746440 /nfs/dbraw/zinc/74/64/40/974746440.db2.gz VKQXHTTWFXWJOA-NEPJUHHUSA-N 2 1 200.370 2.338 20 0 BEADMP CC(C)OCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC001172441541 974797808 /nfs/dbraw/zinc/79/78/08/974797808.db2.gz XAOPFVYUVSTETC-MGPQQGTHSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)OCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001172441541 974797815 /nfs/dbraw/zinc/79/78/15/974797815.db2.gz XAOPFVYUVSTETC-MGPQQGTHSA-N 2 1 242.407 2.120 20 0 BEADMP CC(C)COCC[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC001172456146 974818185 /nfs/dbraw/zinc/81/81/85/974818185.db2.gz YEVSOOFVALHGCN-ZDUSSCGKSA-N 2 1 242.407 2.121 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3)[C@H]2C1 ZINC001204089095 974865443 /nfs/dbraw/zinc/86/54/43/974865443.db2.gz KSBIZZKVSZCIAG-KKUMJFAQSA-N 2 1 230.355 2.116 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCC[C@@H](OC)C1 ZINC001172951535 975007746 /nfs/dbraw/zinc/00/77/46/975007746.db2.gz RGOGUERIASWQJG-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP CCCOC1CCC([N@@H+]2CCC[C@H]2C[NH3+])CC1 ZINC001173092499 975016043 /nfs/dbraw/zinc/01/60/43/975016043.db2.gz RLVGZPRSNWSUDJ-MOKVOYLWSA-N 2 1 240.391 2.147 20 0 BEADMP CCCOC1CCC([N@H+]2CCC[C@H]2C[NH3+])CC1 ZINC001173092499 975016045 /nfs/dbraw/zinc/01/60/45/975016045.db2.gz RLVGZPRSNWSUDJ-MOKVOYLWSA-N 2 1 240.391 2.147 20 0 BEADMP CCc1ccc(C[C@H](C)[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001173237540 975161563 /nfs/dbraw/zinc/16/15/63/975161563.db2.gz HZSRTULDRSVKQK-SWLSCSKDSA-N 2 1 232.371 2.213 20 0 BEADMP CCc1ccc(C[C@H](C)[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001173237540 975161569 /nfs/dbraw/zinc/16/15/69/975161569.db2.gz HZSRTULDRSVKQK-SWLSCSKDSA-N 2 1 232.371 2.213 20 0 BEADMP CC[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC001173295146 975178866 /nfs/dbraw/zinc/17/88/66/975178866.db2.gz PZNJVIDUNBCBHR-MQYQWHSLSA-N 2 1 222.376 2.059 20 0 BEADMP CC[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC001173295146 975178874 /nfs/dbraw/zinc/17/88/74/975178874.db2.gz PZNJVIDUNBCBHR-MQYQWHSLSA-N 2 1 222.376 2.059 20 0 BEADMP CCSC[C@H](C)[N@@H+](C)CCC[NH+](C)C ZINC001173297386 975185281 /nfs/dbraw/zinc/18/52/81/975185281.db2.gz FTXMAVMCEQWSNN-NSHDSACASA-N 2 1 218.410 2.012 20 0 BEADMP CC[C@H]1CC[C@@H]([N@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001173291402 975262589 /nfs/dbraw/zinc/26/25/89/975262589.db2.gz AWIMEOAURPXDEB-QWHCGFSZSA-N 2 1 233.359 2.320 20 0 BEADMP CC[C@H]1CC[C@@H]([N@@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001173291402 975262600 /nfs/dbraw/zinc/26/26/00/975262600.db2.gz AWIMEOAURPXDEB-QWHCGFSZSA-N 2 1 233.359 2.320 20 0 BEADMP CC[N@H+]1CC[C@H](n2ccc3c2cccc3C[NH3+])C1 ZINC001173347546 975288503 /nfs/dbraw/zinc/28/85/03/975288503.db2.gz DPZSSQWTOJCQAF-ZDUSSCGKSA-N 2 1 243.354 2.367 20 0 BEADMP CC[N@@H+]1CC[C@@H](NC(=[NH2+])c2cccc(C)c2)C1 ZINC001173355883 975310971 /nfs/dbraw/zinc/31/09/71/975310971.db2.gz ZEZFYRJLQHITQR-CYBMUJFWSA-N 2 1 231.343 2.004 20 0 BEADMP CC[N@H+]1CC[C@@H](NC(=[NH2+])c2cccc(C)c2)C1 ZINC001173355883 975310977 /nfs/dbraw/zinc/31/09/77/975310977.db2.gz ZEZFYRJLQHITQR-CYBMUJFWSA-N 2 1 231.343 2.004 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC001332897841 975313621 /nfs/dbraw/zinc/31/36/21/975313621.db2.gz LPYNKALKDMUNLU-DYPLGBCKSA-N 2 1 240.366 2.197 20 0 BEADMP C[C@@H](C1CC1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC001332991569 975358920 /nfs/dbraw/zinc/35/89/20/975358920.db2.gz QUGQJBCVFMVUPI-WCQYABFASA-N 2 1 210.365 2.201 20 0 BEADMP COC1(C[NH2+]CCCC[N@@H+](C)C2CC2)CCC1 ZINC001333370378 975720210 /nfs/dbraw/zinc/72/02/10/975720210.db2.gz IEPYVQLNBMCEKK-UHFFFAOYSA-N 2 1 240.391 2.020 20 0 BEADMP C([C@H]1CCC[NH2+]C1)[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC001333529759 975833696 /nfs/dbraw/zinc/83/36/96/975833696.db2.gz QWICAXAWCMFCLG-APHBMKBZSA-N 2 1 248.414 2.497 20 0 BEADMP Cc1cn2cc(Nc3cc[nH+]cc3)ccc2[nH+]1 ZINC001173881561 975921822 /nfs/dbraw/zinc/92/18/22/975921822.db2.gz YYOVYDSHYWUDST-UHFFFAOYSA-N 2 1 224.267 2.203 20 0 BEADMP C[N@H+]1CCc2ccc(Nc3cc[nH+]cc3)cc2C1 ZINC001173884074 975964260 /nfs/dbraw/zinc/96/42/60/975964260.db2.gz FYVLTAPNPXWISH-UHFFFAOYSA-N 2 1 239.322 2.235 20 0 BEADMP Cc1[nH+]cc(Nc2cc[nH+]c3ccccc23)n1C ZINC001174038134 976245599 /nfs/dbraw/zinc/24/55/99/976245599.db2.gz OOKYXLJIECLUPJ-UHFFFAOYSA-N 2 1 238.294 2.442 20 0 BEADMP COc1cc(Nc2cc[nH+]cc2C)[nH+]cc1C ZINC001174537207 976821258 /nfs/dbraw/zinc/82/12/58/976821258.db2.gz BLURMLIRMRKUSO-UHFFFAOYSA-N 2 1 229.283 2.268 20 0 BEADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CC3(C)CC3)C[C@@H]2C1 ZINC001335133586 976860789 /nfs/dbraw/zinc/86/07/89/976860789.db2.gz JLWNSWFLYXVDNE-HZSPNIEDSA-N 2 1 236.403 2.449 20 0 BEADMP CCC[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429015167 976981048 /nfs/dbraw/zinc/98/10/48/976981048.db2.gz XGDYMJUCCIUBIY-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP CCC[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429015167 976981058 /nfs/dbraw/zinc/98/10/58/976981058.db2.gz XGDYMJUCCIUBIY-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP CCC[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429015167 976981071 /nfs/dbraw/zinc/98/10/71/976981071.db2.gz XGDYMJUCCIUBIY-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP COCC[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001232013740 977839277 /nfs/dbraw/zinc/83/92/77/977839277.db2.gz DMQVKBNLYXAQOU-UHFFFAOYSA-N 2 1 247.342 2.420 20 0 BEADMP CO[C@@H]1CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011742 977840643 /nfs/dbraw/zinc/84/06/43/977840643.db2.gz OKNCCSNIECMAKS-CYBMUJFWSA-N 2 1 245.326 2.174 20 0 BEADMP F[C@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@@H]2C[C@@H]21 ZINC001232013115 977840907 /nfs/dbraw/zinc/84/09/07/977840907.db2.gz YHLKFYUBTOXRDQ-DRZSPHRISA-N 2 1 245.301 2.353 20 0 BEADMP F[C@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@@H]2C[C@@H]21 ZINC001232013115 977840911 /nfs/dbraw/zinc/84/09/11/977840911.db2.gz YHLKFYUBTOXRDQ-DRZSPHRISA-N 2 1 245.301 2.353 20 0 BEADMP C[C@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CCCO1 ZINC001232012161 977841539 /nfs/dbraw/zinc/84/15/39/977841539.db2.gz UIJFPGOLDJPJJY-NSHDSACASA-N 2 1 245.326 2.174 20 0 BEADMP Cc1[nH+]c2ccccn2c1Nc1[nH]cc[nH+]1 ZINC001176080790 977875899 /nfs/dbraw/zinc/87/58/99/977875899.db2.gz XSLFYNJMZLDOCC-UHFFFAOYSA-N 2 1 213.244 2.109 20 0 BEADMP C[C@@]1(C[NH3+])CCC[N@@H+](CC2CCC2)CC1 ZINC001206292492 978284950 /nfs/dbraw/zinc/28/49/50/978284950.db2.gz CBAKLTCCZIDPKF-CYBMUJFWSA-N 2 1 210.365 2.237 20 0 BEADMP Cc1cccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)n1 ZINC001206293980 978293423 /nfs/dbraw/zinc/29/34/23/978293423.db2.gz IGMXDJUFHFOGNY-OAHLLOKOSA-N 2 1 247.386 2.341 20 0 BEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(O)cc2)CC1 ZINC001206293382 978295401 /nfs/dbraw/zinc/29/54/01/978295401.db2.gz HKADTXSMGYEYGP-HNNXBMFYSA-N 2 1 248.370 2.343 20 0 BEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(O)cc2)CC1 ZINC001206293392 978296157 /nfs/dbraw/zinc/29/61/57/978296157.db2.gz HKADTXSMGYEYGP-OAHLLOKOSA-N 2 1 248.370 2.343 20 0 BEADMP C[N@@H+](CCNc1cc[nH+]cc1)C1CCCCC1 ZINC001337707505 978467127 /nfs/dbraw/zinc/46/71/27/978467127.db2.gz ODUIYPAKBBBSIJ-UHFFFAOYSA-N 2 1 233.359 2.180 20 0 BEADMP CN(CC[C@H]1CCCC[N@H+]1C)c1cc[nH+]cc1 ZINC001337710267 978469972 /nfs/dbraw/zinc/46/99/72/978469972.db2.gz SNKHOSSDMHCELL-CYBMUJFWSA-N 2 1 233.359 2.392 20 0 BEADMP CC[C@@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001277808541 978701299 /nfs/dbraw/zinc/70/12/99/978701299.db2.gz YOYFMTMIZZZSBQ-UPJWGTAASA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001277808541 978701305 /nfs/dbraw/zinc/70/13/05/978701305.db2.gz YOYFMTMIZZZSBQ-UPJWGTAASA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@@H](C)[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001277808541 978701308 /nfs/dbraw/zinc/70/13/08/978701308.db2.gz YOYFMTMIZZZSBQ-UPJWGTAASA-N 2 1 210.365 2.059 20 0 BEADMP CCc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)o1 ZINC001179817652 978760356 /nfs/dbraw/zinc/76/03/56/978760356.db2.gz RAJPBUUFGRCAQC-KCPJHIHWSA-N 2 1 248.370 2.272 20 0 BEADMP CCc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)o1 ZINC001179817652 978760361 /nfs/dbraw/zinc/76/03/61/978760361.db2.gz RAJPBUUFGRCAQC-KCPJHIHWSA-N 2 1 248.370 2.272 20 0 BEADMP Cc1cccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)c1 ZINC001179818652 978760890 /nfs/dbraw/zinc/76/08/90/978760890.db2.gz ZFHBCDFYJIVSTM-HRCADAONSA-N 2 1 244.382 2.425 20 0 BEADMP CCc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)o1 ZINC001179817653 978760970 /nfs/dbraw/zinc/76/09/70/978760970.db2.gz RAJPBUUFGRCAQC-NILFDRSVSA-N 2 1 248.370 2.272 20 0 BEADMP CCc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)o1 ZINC001179817653 978760972 /nfs/dbraw/zinc/76/09/72/978760972.db2.gz RAJPBUUFGRCAQC-NILFDRSVSA-N 2 1 248.370 2.272 20 0 BEADMP C[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCC3)CC1 ZINC000070498481 978850613 /nfs/dbraw/zinc/85/06/13/978850613.db2.gz VNSLTSITIRLPMO-UHFFFAOYSA-N 2 1 244.382 2.359 20 0 BEADMP CC1=C[C@@H](C)[C@@H](C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)CC1 ZINC001235025472 978954918 /nfs/dbraw/zinc/95/49/18/978954918.db2.gz BZMLWXFEZDYROA-APIJFGDWSA-N 2 1 234.387 2.273 20 0 BEADMP CC(C)=CCC[C@@H](C)C[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001235145722 978981159 /nfs/dbraw/zinc/98/11/59/978981159.db2.gz FKPWYHBNNXBDCW-RDBSUJKOSA-N 2 1 222.376 2.402 20 0 BEADMP CC(C)=CCC[C@@H](C)C[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001235145722 978981165 /nfs/dbraw/zinc/98/11/65/978981165.db2.gz FKPWYHBNNXBDCW-RDBSUJKOSA-N 2 1 222.376 2.402 20 0 BEADMP COC(C)(C)CC[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235127584 978981483 /nfs/dbraw/zinc/98/14/83/978981483.db2.gz ZOVMVHBYDQGRPZ-AWEZNQCLSA-N 2 1 240.391 2.020 20 0 BEADMP COC(C)(C)CC[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235127584 978981490 /nfs/dbraw/zinc/98/14/90/978981490.db2.gz ZOVMVHBYDQGRPZ-AWEZNQCLSA-N 2 1 240.391 2.020 20 0 BEADMP CC(C)=CCC[C@H](C)C[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001235145717 978981612 /nfs/dbraw/zinc/98/16/12/978981612.db2.gz FKPWYHBNNXBDCW-IHRRRGAJSA-N 2 1 222.376 2.402 20 0 BEADMP CC(C)=CCC[C@H](C)C[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001235145717 978981617 /nfs/dbraw/zinc/98/16/17/978981617.db2.gz FKPWYHBNNXBDCW-IHRRRGAJSA-N 2 1 222.376 2.402 20 0 BEADMP C[C@@H](C[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1)c1ccccc1 ZINC001235166092 978986330 /nfs/dbraw/zinc/98/63/30/978986330.db2.gz OMYNRVUMJYKNQQ-AEGPPILISA-N 2 1 230.355 2.213 20 0 BEADMP C[C@@H](C[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1)c1ccccc1 ZINC001235166092 978986337 /nfs/dbraw/zinc/98/63/37/978986337.db2.gz OMYNRVUMJYKNQQ-AEGPPILISA-N 2 1 230.355 2.213 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235176300 978990797 /nfs/dbraw/zinc/99/07/97/978990797.db2.gz ZYZGNYNNUMFXQZ-RDBSUJKOSA-N 2 1 222.376 2.251 20 0 BEADMP CC1=C[C@H](C)[C@@H](C[N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001235189211 978991777 /nfs/dbraw/zinc/99/17/77/978991777.db2.gz XSGUAPZLSMQTMR-LJISPDSOSA-N 2 1 234.387 2.273 20 0 BEADMP C[C@@H]([NH3+])C[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC001235187262 978994402 /nfs/dbraw/zinc/99/44/02/978994402.db2.gz UWKNMVVHYCEMFO-CYBMUJFWSA-N 2 1 242.366 2.394 20 0 BEADMP CC1=CC[C@H](CC[N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)C1(C)C ZINC001235209968 978998708 /nfs/dbraw/zinc/99/87/08/978998708.db2.gz GTSSRNQIZOKSQN-MQYQWHSLSA-N 2 1 234.387 2.258 20 0 BEADMP CCCC[C@H](CC)C[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001235210541 979001035 /nfs/dbraw/zinc/00/10/35/979001035.db2.gz LUBSBRGFOTUZPH-WUHRBBMRSA-N 2 1 210.365 2.092 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235409758 979037445 /nfs/dbraw/zinc/03/74/45/979037445.db2.gz WUTILDPETAWHJQ-MJBXVCDLSA-N 2 1 242.382 2.446 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235404154 979038489 /nfs/dbraw/zinc/03/84/89/979038489.db2.gz MTHQUWHGGKRQOU-UONOGXRCSA-N 2 1 242.382 2.446 20 0 BEADMP [NH3+]CCCC[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC001235727641 979133503 /nfs/dbraw/zinc/13/35/03/979133503.db2.gz VLOJBZNUWONRON-LBPRGKRZSA-N 2 1 236.334 2.354 20 0 BEADMP CC(C)C1CC[NH+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001235961038 979227045 /nfs/dbraw/zinc/22/70/45/979227045.db2.gz VAISPZQREPUTCA-ZDUSSCGKSA-N 2 1 240.391 2.079 20 0 BEADMP COc1ccccc1[C@@H](C)[N@@H+](C)CCCC[NH3+] ZINC001235963534 979232592 /nfs/dbraw/zinc/23/25/92/979232592.db2.gz WLXXRFNHCYHWPH-GFCCVEGCSA-N 2 1 236.359 2.427 20 0 BEADMP C[C@H](C[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1)c1ccccc1 ZINC001235976607 979242782 /nfs/dbraw/zinc/24/27/82/979242782.db2.gz AJMBNGWFBNUNCJ-BPLDGKMQSA-N 2 1 230.355 2.213 20 0 BEADMP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235977794 979244132 /nfs/dbraw/zinc/24/41/32/979244132.db2.gz HYKUKIJAQUAQFP-ZQDZILKHSA-N 2 1 234.387 2.402 20 0 BEADMP CC1(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CCCCC1 ZINC001235981992 979257430 /nfs/dbraw/zinc/25/74/30/979257430.db2.gz ZUAJVVIGKRLKEA-JSGCOSHPSA-N 2 1 222.376 2.380 20 0 BEADMP [NH3+][C@]12CC[C@H]1C[N@@H+](CCC1CCCCC1)C2 ZINC001235981866 979258042 /nfs/dbraw/zinc/25/80/42/979258042.db2.gz YHJYLFCVUTWSDR-KBPBESRZSA-N 2 1 222.376 2.380 20 0 BEADMP [NH3+][C@@]12C[C@@H]1C[N@H+](CCCCCc1ccccc1)C2 ZINC001236014198 979301650 /nfs/dbraw/zinc/30/16/50/979301650.db2.gz GWCPVEGDYKEJEO-HZPDHXFCSA-N 2 1 244.382 2.432 20 0 BEADMP [NH3+][C@@]12C[C@@H]1C[N@@H+](CCCCCc1ccccc1)C2 ZINC001236014198 979301660 /nfs/dbraw/zinc/30/16/60/979301660.db2.gz GWCPVEGDYKEJEO-HZPDHXFCSA-N 2 1 244.382 2.432 20 0 BEADMP Cc1ccc([C@@H]2CCC[N@H+]2CCCC[NH3+])cn1 ZINC001236042555 979334838 /nfs/dbraw/zinc/33/48/38/979334838.db2.gz QGCXRBJNIQKHJW-AWEZNQCLSA-N 2 1 233.359 2.266 20 0 BEADMP CC1=CC[C@H](CC[N@@H+]2CC[C@@H]([NH3+])C2)C1(C)C ZINC001236166260 979418035 /nfs/dbraw/zinc/41/80/35/979418035.db2.gz CTSAOVUOVATVCX-CHWSQXEVSA-N 2 1 222.376 2.402 20 0 BEADMP CC1=CC[C@H](CC[N@H+]2CC[C@@H]([NH3+])C2)C1(C)C ZINC001236166260 979418044 /nfs/dbraw/zinc/41/80/44/979418044.db2.gz CTSAOVUOVATVCX-CHWSQXEVSA-N 2 1 222.376 2.402 20 0 BEADMP CC(C)=CCC[C@@H](C)C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001236165932 979420312 /nfs/dbraw/zinc/42/03/12/979420312.db2.gz BRKYEWJMJASKIH-CHWSQXEVSA-N 2 1 210.365 2.402 20 0 BEADMP CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001236165932 979420316 /nfs/dbraw/zinc/42/03/16/979420316.db2.gz BRKYEWJMJASKIH-CHWSQXEVSA-N 2 1 210.365 2.402 20 0 BEADMP Nc1ccc2c(c1)C[N@H+](CCCCCC[NH3+])CC2 ZINC001236234348 979457271 /nfs/dbraw/zinc/45/72/71/979457271.db2.gz XSRUIQCKXBHLIH-UHFFFAOYSA-N 2 1 247.386 2.146 20 0 BEADMP CCC(CC)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314145 979524756 /nfs/dbraw/zinc/52/47/56/979524756.db2.gz HSSNBULHNKSSJZ-OKILXGFUSA-N 2 1 224.392 2.354 20 0 BEADMP CCC[C@@H](C)C[N@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001236328212 979538306 /nfs/dbraw/zinc/53/83/06/979538306.db2.gz NRPUCBBQIYFTKV-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[C@@H](C)C[N@@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001236328212 979538310 /nfs/dbraw/zinc/53/83/10/979538310.db2.gz NRPUCBBQIYFTKV-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP C[N@@H+](CCCC1CCCCC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236410747 979587304 /nfs/dbraw/zinc/58/73/04/979587304.db2.gz KMAYFEMORZSQTF-FICVDOATSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1cccc(CC[N@H+]2CCC[C@H]([NH3+])[C@H]2C)c1 ZINC001236416559 979591629 /nfs/dbraw/zinc/59/16/29/979591629.db2.gz VMYCZXMTANSOKQ-HIFRSBDPSA-N 2 1 232.371 2.349 20 0 BEADMP Cc1cccc(CC[N@@H+]2CCC[C@H]([NH3+])[C@H]2C)c1 ZINC001236416559 979591633 /nfs/dbraw/zinc/59/16/33/979591633.db2.gz VMYCZXMTANSOKQ-HIFRSBDPSA-N 2 1 232.371 2.349 20 0 BEADMP Cc1ncc(C[N@H+]2CCC[C@](C)([NH3+])CC2)s1 ZINC001205265321 979816034 /nfs/dbraw/zinc/81/60/34/979816034.db2.gz PTPABFSRCDAFSA-LBPRGKRZSA-N 2 1 239.388 2.155 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)o1 ZINC001237382194 979877765 /nfs/dbraw/zinc/87/77/65/979877765.db2.gz MDCYDEBATOYATP-TZMCWYRMSA-N 2 1 234.343 2.162 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)o1 ZINC001237382194 979877773 /nfs/dbraw/zinc/87/77/73/979877773.db2.gz MDCYDEBATOYATP-TZMCWYRMSA-N 2 1 234.343 2.162 20 0 BEADMP CCc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)nc1 ZINC001205280805 979882324 /nfs/dbraw/zinc/88/23/24/979882324.db2.gz JHXQJTBBVFOFML-HNNXBMFYSA-N 2 1 247.386 2.347 20 0 BEADMP C[C@@H]1CC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238105927 980157610 /nfs/dbraw/zinc/15/76/10/980157610.db2.gz GSQCTRAFEOKPJR-LLVKDONJSA-N 2 1 215.300 2.176 20 0 BEADMP C[C@@H]1CC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238105927 980157619 /nfs/dbraw/zinc/15/76/19/980157619.db2.gz GSQCTRAFEOKPJR-LLVKDONJSA-N 2 1 215.300 2.176 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(C)ccc1OC ZINC001345099877 980548816 /nfs/dbraw/zinc/54/88/16/980548816.db2.gz LACSAMHVNZQLPZ-LBPRGKRZSA-N 2 1 236.359 2.091 20 0 BEADMP [NH3+]Cc1cncc(-c2cc3[nH]ccc3c[nH+]2)c1 ZINC001239784195 980913561 /nfs/dbraw/zinc/91/35/61/980913561.db2.gz JDBFQPIZDZYMSV-UHFFFAOYSA-N 2 1 224.267 2.084 20 0 BEADMP COC(C)(C)CC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205599927 981153050 /nfs/dbraw/zinc/15/30/50/981153050.db2.gz AMWWIRHSVGSAMJ-STQMWFEESA-N 2 1 242.407 2.108 20 0 BEADMP C[C@@H](CNc1cc[nH+]cc1)[N@H+]1CCC[C@H](C)C1 ZINC001347773132 981168745 /nfs/dbraw/zinc/16/87/45/981168745.db2.gz UBXIWHSLLFJHHY-STQMWFEESA-N 2 1 233.359 2.036 20 0 BEADMP CCOC(C)(C)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205604856 981181983 /nfs/dbraw/zinc/18/19/83/981181983.db2.gz YFIVJSRBGHOIRV-QWHCGFSZSA-N 2 1 242.407 2.108 20 0 BEADMP Cc1c[nH]c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1C ZINC001205625258 981267982 /nfs/dbraw/zinc/26/79/82/981267982.db2.gz ANUJZYQKDVSXTA-FZMZJTMJSA-N 2 1 249.402 2.438 20 0 BEADMP Cc1c[nH]c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1C ZINC001205625259 981270756 /nfs/dbraw/zinc/27/07/56/981270756.db2.gz ANUJZYQKDVSXTA-RISCZKNCSA-N 2 1 249.402 2.438 20 0 BEADMP Cc1[nH+]c(C2=CC[NH2+]CC2)cc2[nH]ccc21 ZINC001240466245 981398357 /nfs/dbraw/zinc/39/83/57/981398357.db2.gz YQDRDEXPCZKJDK-UHFFFAOYSA-N 2 1 213.284 2.248 20 0 BEADMP Cc1cc2[nH]ccc2c(C2=CCC[NH2+]C2)[nH+]1 ZINC001240651428 981560358 /nfs/dbraw/zinc/56/03/58/981560358.db2.gz GGMDBDKLGGCSBF-UHFFFAOYSA-N 2 1 213.284 2.248 20 0 BEADMP c1ccc2c(c1)CC[C@H]2C[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001580896020 981727918 /nfs/dbraw/zinc/72/79/18/981727918.db2.gz XAHKYQKUYPVLCS-XRGAULLZSA-N 2 1 242.366 2.199 20 0 BEADMP C[N@H+]1CCc2cc(C=C3CC[NH2+]CC3)ccc2C1 ZINC001240878375 981931099 /nfs/dbraw/zinc/93/10/99/981931099.db2.gz GWEQTBKWFWQYMH-UHFFFAOYSA-N 2 1 242.366 2.441 20 0 BEADMP COC(=[NH2+])c1cccc(C=C2CC[NH2+]CC2)c1 ZINC001240878404 981931665 /nfs/dbraw/zinc/93/16/65/981931665.db2.gz IFSGMSSBTLXRMF-UHFFFAOYSA-N 2 1 230.311 2.425 20 0 BEADMP C(=C/C1CC1)\C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC001350956628 982136567 /nfs/dbraw/zinc/13/65/67/982136567.db2.gz MYFWIJVQKUSSCR-ITDFMYJTSA-N 2 1 220.360 2.217 20 0 BEADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000691700866 982226176 /nfs/dbraw/zinc/22/61/76/982226176.db2.gz KXVHQTBGQPHYSR-OOJKYFRXSA-N 2 1 236.403 2.483 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000691700864 982227348 /nfs/dbraw/zinc/22/73/48/982227348.db2.gz KXVHQTBGQPHYSR-HXSCFSKGSA-N 2 1 236.403 2.483 20 0 BEADMP CC(C)C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001352113634 982473215 /nfs/dbraw/zinc/47/32/15/982473215.db2.gz TUJRLEINIGBMQF-BFHYXJOUSA-N 2 1 224.392 2.305 20 0 BEADMP C[N@@H+]1CC=C(c2ccccc2C2([NH3+])CC2)CC1 ZINC001241330115 982491279 /nfs/dbraw/zinc/49/12/79/982491279.db2.gz JOFNEEVWZCWTOY-UHFFFAOYSA-N 2 1 228.339 2.353 20 0 BEADMP C[C@@H]([NH3+])c1cccc(C2=CC[N@@H+](C)CC2)c1 ZINC001241330518 982492185 /nfs/dbraw/zinc/49/21/85/982492185.db2.gz UVPYQNMTBBZXBH-LLVKDONJSA-N 2 1 216.328 2.425 20 0 BEADMP C[N@@H+]1CC=C(c2ccc3c(c2)[C@@H]([NH3+])CC3)CC1 ZINC001241331716 982495140 /nfs/dbraw/zinc/49/51/40/982495140.db2.gz BTNHQUURDNUUOC-HNNXBMFYSA-N 2 1 228.339 2.352 20 0 BEADMP CC[N@@H+]1C[C@@H]2C[NH+](CC3CCCCC3)C[C@@H]2C1 ZINC001201401261 983204553 /nfs/dbraw/zinc/20/45/53/983204553.db2.gz FPQKUSCDJOBWQV-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2C1 ZINC001201401261 983204562 /nfs/dbraw/zinc/20/45/62/983204562.db2.gz FPQKUSCDJOBWQV-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP CC[NH+]1C[C@@H]2C[N@H+](CC3CCCCC3)C[C@@H]2C1 ZINC001201401261 983204572 /nfs/dbraw/zinc/20/45/72/983204572.db2.gz FPQKUSCDJOBWQV-GASCZTMLSA-N 2 1 236.403 2.450 20 0 BEADMP CC[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001201586902 983349731 /nfs/dbraw/zinc/34/97/31/983349731.db2.gz WNGVAPXNOWYUDP-QWHCGFSZSA-N 2 1 210.365 2.345 20 0 BEADMP CC[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001201586902 983349739 /nfs/dbraw/zinc/34/97/39/983349739.db2.gz WNGVAPXNOWYUDP-QWHCGFSZSA-N 2 1 210.365 2.345 20 0 BEADMP CC[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001201586902 983349749 /nfs/dbraw/zinc/34/97/49/983349749.db2.gz WNGVAPXNOWYUDP-QWHCGFSZSA-N 2 1 210.365 2.345 20 0 BEADMP CN1CCC[C@H]2C[N@@H+](CCc3ccccc3)C[C@@H]21 ZINC001201606093 983371941 /nfs/dbraw/zinc/37/19/41/983371941.db2.gz IJZYYHDXBSEGEN-HOTGVXAUSA-N 2 1 244.382 2.255 20 0 BEADMP CCCCC[N@H+]1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001201737330 983442575 /nfs/dbraw/zinc/44/25/75/983442575.db2.gz IQEHDCHAHXTDRX-QWHCGFSZSA-N 2 1 210.365 2.203 20 0 BEADMP c1coc(C[NH2+]Cc2ccc3c[nH+]cn3c2)c1 ZINC001202750432 984213932 /nfs/dbraw/zinc/21/39/32/984213932.db2.gz SUTXLXCHDKLPCJ-UHFFFAOYSA-N 2 1 227.267 2.217 20 0 BEADMP CSCCC[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205984502 984217193 /nfs/dbraw/zinc/21/71/93/984217193.db2.gz SJLDELXFGLMRQL-NEPJUHHUSA-N 2 1 230.421 2.046 20 0 BEADMP C[C@H](C[NH3+])[NH2+]C1CC(C)(c2ccccc2)C1 ZINC001579476251 984279692 /nfs/dbraw/zinc/27/96/92/984279692.db2.gz ZLTWDJXIAAWOFI-LMWSTFAQSA-N 2 1 218.344 2.044 20 0 BEADMP CCCC[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001275115850 984492217 /nfs/dbraw/zinc/49/22/17/984492217.db2.gz NMRZAFURGKXBCY-UHFFFAOYSA-N 2 1 210.365 2.204 20 0 BEADMP c1ccc([C@H]2C[C@@H]2C[NH2+][C@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC001580891711 984624877 /nfs/dbraw/zinc/62/48/77/984624877.db2.gz FFTUGPSODQRQTR-SUJAAXHWSA-N 2 1 242.366 2.273 20 0 BEADMP CC[NH2+]C1CC[NH+](CCCc2ccncc2)CC1 ZINC001577821262 984800755 /nfs/dbraw/zinc/80/07/55/984800755.db2.gz FUWBAHGFUYMMIG-UHFFFAOYSA-N 2 1 247.386 2.088 20 0 BEADMP CCC[C@H](CC)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001257266666 984865355 /nfs/dbraw/zinc/86/53/55/984865355.db2.gz QOKBLMPDIRCUBY-XQQFMLRXSA-N 2 1 210.365 2.059 20 0 BEADMP CCC[C@H](CC)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001257266666 984865359 /nfs/dbraw/zinc/86/53/59/984865359.db2.gz QOKBLMPDIRCUBY-XQQFMLRXSA-N 2 1 210.365 2.059 20 0 BEADMP CCC[C@H](CC)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001257266666 984865361 /nfs/dbraw/zinc/86/53/61/984865361.db2.gz QOKBLMPDIRCUBY-XQQFMLRXSA-N 2 1 210.365 2.059 20 0 BEADMP CCOc1ccc(C[NH2+]CC(C)(C)[NH3+])c(C)c1 ZINC001578179598 984867754 /nfs/dbraw/zinc/86/77/54/984867754.db2.gz RCFQSQLYTUOHHG-UHFFFAOYSA-N 2 1 236.359 2.221 20 0 BEADMP CCc1cccc(C[NH2+]C[C@H]([NH3+])CC)c1 ZINC001578266656 984918144 /nfs/dbraw/zinc/91/81/44/984918144.db2.gz OBAOBCWKXXFWMP-CYBMUJFWSA-N 2 1 206.333 2.076 20 0 BEADMP CC1CC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000691917248 984942330 /nfs/dbraw/zinc/94/23/30/984942330.db2.gz LAKULXNWGDZRAG-ZRRUAHMRSA-N 2 1 222.376 2.247 20 0 BEADMP C1C[NH+](C2CC[NH+](C3CCCCC3)CC2)C1 ZINC001257465940 985079590 /nfs/dbraw/zinc/07/95/90/985079590.db2.gz KSQSYHSOIGKVFL-UHFFFAOYSA-N 2 1 222.376 2.489 20 0 BEADMP C[N@H+](Cc1cccn1C(F)F)CC(C)(C)C[NH3+] ZINC001578497131 985119985 /nfs/dbraw/zinc/11/99/85/985119985.db2.gz JSSCGCIOAJWVOT-UHFFFAOYSA-N 2 1 245.317 2.300 20 0 BEADMP C[N@@H+](Cc1cccn1C(F)F)CC(C)(C)C[NH3+] ZINC001578497131 985119998 /nfs/dbraw/zinc/11/99/98/985119998.db2.gz JSSCGCIOAJWVOT-UHFFFAOYSA-N 2 1 245.317 2.300 20 0 BEADMP C[N@H+](CCCCCCC[NH3+])Cc1cscn1 ZINC000042869522 985226249 /nfs/dbraw/zinc/22/62/49/985226249.db2.gz WRXAYYCRFQXLPW-UHFFFAOYSA-N 2 1 241.404 2.484 20 0 BEADMP C[N@@H+](CCCCCCC[NH3+])Cc1cscn1 ZINC000042869522 985226263 /nfs/dbraw/zinc/22/62/63/985226263.db2.gz WRXAYYCRFQXLPW-UHFFFAOYSA-N 2 1 241.404 2.484 20 0 BEADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCCSC1 ZINC001257682903 985274211 /nfs/dbraw/zinc/27/42/11/985274211.db2.gz KPFBFXSMZZUTSM-LBPRGKRZSA-N 2 1 230.421 2.156 20 0 BEADMP C[N@@H+](CCOC(C)(C)C)C[C@@H]1CCCC[NH2+]C1 ZINC000690053573 985367229 /nfs/dbraw/zinc/36/72/29/985367229.db2.gz JAVFTDMHHUYBGB-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP CO[C@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)CC(C)C ZINC001578912783 985512107 /nfs/dbraw/zinc/51/21/07/985512107.db2.gz MENBBCLCOXQBFF-NWDGAFQWSA-N 2 1 230.396 2.011 20 0 BEADMP C(C[NH2+]C1CC1)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000688239843 985585757 /nfs/dbraw/zinc/58/57/57/985585757.db2.gz NAGZOXYOLVFRDH-CQSZACIVSA-N 2 1 222.376 2.393 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000688725585 985714728 /nfs/dbraw/zinc/71/47/28/985714728.db2.gz IQKBEMHRDDXRCG-GHMZBOCLSA-N 2 1 234.334 2.339 20 0 BEADMP CCCCC[C@H](CC)[NH2+]CCC[N@@H+](C)CCO ZINC001258435283 985880508 /nfs/dbraw/zinc/88/05/08/985880508.db2.gz JVSMJYYTMMEZQA-AWEZNQCLSA-N 2 1 244.423 2.249 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@H]1C[NH3+] ZINC001579440290 985928411 /nfs/dbraw/zinc/92/84/11/985928411.db2.gz TXQUUQWEBOHLPO-DGCLKSJQSA-N 2 1 222.376 2.093 20 0 BEADMP C[C@@H](CC1CC1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001258473542 985938121 /nfs/dbraw/zinc/93/81/21/985938121.db2.gz NKSKXIOMMNKXRW-GXTWGEPZSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H](CC1CC1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001258473542 985938134 /nfs/dbraw/zinc/93/81/34/985938134.db2.gz NKSKXIOMMNKXRW-GXTWGEPZSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@@H](CC1CC1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001258473542 985938152 /nfs/dbraw/zinc/93/81/52/985938152.db2.gz NKSKXIOMMNKXRW-GXTWGEPZSA-N 2 1 222.376 2.203 20 0 BEADMP CCC1(C[NH2+]Cc2c[nH+]ccc2N(C)C)CC1 ZINC001461267193 986030545 /nfs/dbraw/zinc/03/05/45/986030545.db2.gz IYCXXSWHXSMOGZ-UHFFFAOYSA-N 2 1 233.359 2.427 20 0 BEADMP C[C@]1(C[NH2+][C@@H]2CC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC001579509440 986054873 /nfs/dbraw/zinc/05/48/73/986054873.db2.gz OTFYMFDQGKDVFQ-RBSFLKMASA-N 2 1 230.355 2.132 20 0 BEADMP C[C@]12C[N@@H+](C[C@H]3CC[C@@H]([NH3+])C3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001579510086 986060172 /nfs/dbraw/zinc/06/01/72/986060172.db2.gz SVYFXSWOYXRAQP-UGYDUONOSA-N 2 1 246.398 2.258 20 0 BEADMP CC[C@H](C)C[C@H](CC)[NH2+]CCC[N@@H+](C)CCO ZINC001258786945 986205275 /nfs/dbraw/zinc/20/52/75/986205275.db2.gz DAZCZUFGDAPCPU-KBPBESRZSA-N 2 1 244.423 2.105 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](C)[C@@H]2C)CC1 ZINC001461886974 986213933 /nfs/dbraw/zinc/21/39/33/986213933.db2.gz KMHMGFYPKRRJGE-STQMWFEESA-N 2 1 224.392 2.449 20 0 BEADMP CC(C)C1CCC([NH2+]C2(C[NH3+])CC2)CC1 ZINC001258801642 986263537 /nfs/dbraw/zinc/26/35/37/986263537.db2.gz HWBMEJALODLLQE-UHFFFAOYSA-N 2 1 210.365 2.282 20 0 BEADMP FC1(F)C[C@]12CCC[N@H+](CCC[NH2+]C1CC1)C2 ZINC001580023666 986421036 /nfs/dbraw/zinc/42/10/36/986421036.db2.gz AFQBEPGAZOCTSI-LBPRGKRZSA-N 2 1 244.329 2.250 20 0 BEADMP FC1(F)C[C@]12CCC[N@@H+](CCC[NH2+]C1CC1)C2 ZINC001580023666 986421043 /nfs/dbraw/zinc/42/10/43/986421043.db2.gz AFQBEPGAZOCTSI-LBPRGKRZSA-N 2 1 244.329 2.250 20 0 BEADMP FCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1C[NH2+]C1 ZINC001580027267 986423832 /nfs/dbraw/zinc/42/38/32/986423832.db2.gz OXWYFSQUBIYYQS-QXMXGUDHSA-N 2 1 240.366 2.199 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@H]3C3CCC3)[C@@H]2C1 ZINC001462674649 986501664 /nfs/dbraw/zinc/50/16/64/986501664.db2.gz YXXHIYMLCXKQJR-RBZJEDDUSA-N 2 1 248.414 2.495 20 0 BEADMP FCC[C@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000689443485 986610551 /nfs/dbraw/zinc/61/05/51/986610551.db2.gz AVGCHCGNLPASQN-KGLIPLIRSA-N 2 1 242.382 2.448 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@@H](F)CC2)CC1 ZINC001254517558 986651322 /nfs/dbraw/zinc/65/13/22/986651322.db2.gz VKZZPMXRRGCDMA-CHWSQXEVSA-N 2 1 228.355 2.295 20 0 BEADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@@H](F)CC2)CC1 ZINC001254517558 986651336 /nfs/dbraw/zinc/65/13/36/986651336.db2.gz VKZZPMXRRGCDMA-CHWSQXEVSA-N 2 1 228.355 2.295 20 0 BEADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@@H](F)CC2)CC1 ZINC001254517558 986651353 /nfs/dbraw/zinc/65/13/53/986651353.db2.gz VKZZPMXRRGCDMA-CHWSQXEVSA-N 2 1 228.355 2.295 20 0 BEADMP C[N@@H+]1CCC[C@H]([NH+]2CCCCC23CC3)CC1 ZINC001254525741 986661177 /nfs/dbraw/zinc/66/11/77/986661177.db2.gz LSZMIWFVRCHUDJ-ZDUSSCGKSA-N 2 1 222.376 2.489 20 0 BEADMP C[N@H+]1CCC[C@H]([NH+]2CCCCC23CC3)CC1 ZINC001254525741 986661196 /nfs/dbraw/zinc/66/11/96/986661196.db2.gz LSZMIWFVRCHUDJ-ZDUSSCGKSA-N 2 1 222.376 2.489 20 0 BEADMP C[NH+]1CCC[C@H]([N@@H+]2CCCCC23CC3)CC1 ZINC001254525741 986661208 /nfs/dbraw/zinc/66/12/08/986661208.db2.gz LSZMIWFVRCHUDJ-ZDUSSCGKSA-N 2 1 222.376 2.489 20 0 BEADMP C[NH+]1CCC[C@H]([N@H+]2CCCCC23CC3)CC1 ZINC001254525741 986661226 /nfs/dbraw/zinc/66/12/26/986661226.db2.gz LSZMIWFVRCHUDJ-ZDUSSCGKSA-N 2 1 222.376 2.489 20 0 BEADMP C[N@H+]1CCC[C@@H]([NH+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC001254525094 986672041 /nfs/dbraw/zinc/67/20/41/986672041.db2.gz FZKAHYKBJWAHIH-VXGBXAGGSA-N 2 1 244.329 2.202 20 0 BEADMP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC001254525094 986672051 /nfs/dbraw/zinc/67/20/51/986672051.db2.gz FZKAHYKBJWAHIH-VXGBXAGGSA-N 2 1 244.329 2.202 20 0 BEADMP C[NH+]1CCC[C@@H]([N@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC001254525094 986672060 /nfs/dbraw/zinc/67/20/60/986672060.db2.gz FZKAHYKBJWAHIH-VXGBXAGGSA-N 2 1 244.329 2.202 20 0 BEADMP [NH3+]CCC[N@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001580298692 986736917 /nfs/dbraw/zinc/73/69/17/986736917.db2.gz YIRRYLTWRHGKKN-AWEZNQCLSA-N 2 1 248.370 2.138 20 0 BEADMP CC[NH+]1C[C@H]2C[NH+](Cc3[nH]c(C)cc3C)C[C@@H]2C1 ZINC001137333545 986795731 /nfs/dbraw/zinc/79/57/31/986795731.db2.gz KWDIUQOUAKNMNH-KBPBESRZSA-N 2 1 247.386 2.015 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H]2c2ccc(F)cc2)C1 ZINC001580419069 986839195 /nfs/dbraw/zinc/83/91/95/986839195.db2.gz RKPGJGIHXBLNNE-GDLCADMTSA-N 2 1 234.318 2.310 20 0 BEADMP C[N@H+]1CC[C@@H](n2c(CC[NH3+])cc3ccccc32)C1 ZINC001255424625 986943822 /nfs/dbraw/zinc/94/38/22/986943822.db2.gz ZIOUPXFRCZDFFO-CQSZACIVSA-N 2 1 243.354 2.019 20 0 BEADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@H](OC)C1 ZINC001255954440 987099412 /nfs/dbraw/zinc/09/94/12/987099412.db2.gz DOQOVZANTXYCGZ-ZIAGYGMSSA-N 2 1 242.407 2.218 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000691657810 987288166 /nfs/dbraw/zinc/28/81/66/987288166.db2.gz AIQKXNBCFRNUME-HKKVPVCXSA-N 2 1 236.403 2.482 20 0 BEADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000697017472 987345247 /nfs/dbraw/zinc/34/52/47/987345247.db2.gz SPJYCACUJLJFEM-MELADBBJSA-N 2 1 224.392 2.497 20 0 BEADMP c1ccc2c(c1)C[NH+](C[C@@H]1CCCC[NH2+]C1)C2 ZINC000697058589 987346660 /nfs/dbraw/zinc/34/66/60/987346660.db2.gz RMENEDHRIMETCE-CYBMUJFWSA-N 2 1 230.355 2.392 20 0 BEADMP CC[N@@H+](CC1CC1)C[C@H]1CCCC[NH2+]C1 ZINC000697040312 987347622 /nfs/dbraw/zinc/34/76/22/987347622.db2.gz HZRKADQZWCGDPM-ZDUSSCGKSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H]1CC(F)(F)CC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000697640487 987363297 /nfs/dbraw/zinc/36/32/97/987363297.db2.gz GPYSLCKTCIYFSV-VXGBXAGGSA-N 2 1 246.345 2.496 20 0 BEADMP FC1(F)CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699236896 987374840 /nfs/dbraw/zinc/37/48/40/987374840.db2.gz XMEQEHZLXAPZKY-YOGCLGLASA-N 2 1 244.329 2.248 20 0 BEADMP FC1(F)CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699236896 987374845 /nfs/dbraw/zinc/37/48/45/987374845.db2.gz XMEQEHZLXAPZKY-YOGCLGLASA-N 2 1 244.329 2.248 20 0 BEADMP CC(C)([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccnc1 ZINC001246082749 987377424 /nfs/dbraw/zinc/37/74/24/987377424.db2.gz RQVFDLWNEGNFNZ-PBWFPOADSA-N 2 1 245.370 2.189 20 0 BEADMP CC[C@@H](CC(C)C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC001246094922 987405339 /nfs/dbraw/zinc/40/53/39/987405339.db2.gz HAUYEJZDTNANRD-AGIUHOORSA-N 2 1 212.381 2.399 20 0 BEADMP CC[C@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC001246096940 987408819 /nfs/dbraw/zinc/40/88/19/987408819.db2.gz MGYDQZSXIYEYTJ-VOAKCMCISA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C[NH2+]1 ZINC001246110564 987444304 /nfs/dbraw/zinc/44/43/04/987444304.db2.gz MUQCRMUJQVMYFY-VWYCJHECSA-N 2 1 232.318 2.152 20 0 BEADMP CC[C@@H](C)OCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246116402 987454581 /nfs/dbraw/zinc/45/45/81/987454581.db2.gz DWJITQKHVLKKSO-XJFOESAGSA-N 2 1 242.407 2.168 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C[C@H]1C ZINC001246117108 987459123 /nfs/dbraw/zinc/45/91/23/987459123.db2.gz IODWOOKTZVVCNE-DHGKCCLASA-N 2 1 224.392 2.399 20 0 BEADMP CC[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC001246117854 987464476 /nfs/dbraw/zinc/46/44/76/987464476.db2.gz MGYDQZSXIYEYTJ-FDYHWXHSSA-N 2 1 210.365 2.153 20 0 BEADMP CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246129013 987475961 /nfs/dbraw/zinc/47/59/61/987475961.db2.gz FVAKCWKNMAMIBD-LSDHHAIUSA-N 2 1 244.382 2.349 20 0 BEADMP CC1(C)CC([NH2+][C@H]2CCC[NH2+]C2)CC(C)(C)O1 ZINC001246130806 987480906 /nfs/dbraw/zinc/48/09/06/987480906.db2.gz VUPNHWDTQILEHN-NSHDSACASA-N 2 1 240.391 2.064 20 0 BEADMP Cc1ccc(CCC[NH2+][C@H]2CCC[NH2+]C2)s1 ZINC001246130870 987483856 /nfs/dbraw/zinc/48/38/56/987483856.db2.gz WYIPPCLWVGROBV-LBPRGKRZSA-N 2 1 238.400 2.331 20 0 BEADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246134108 987487076 /nfs/dbraw/zinc/48/70/76/987487076.db2.gz PGEVKRQMVPDVIV-FZMZJTMJSA-N 2 1 248.345 2.098 20 0 BEADMP c1csc(CCC[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC001246171958 987539425 /nfs/dbraw/zinc/53/94/25/987539425.db2.gz XWIOCPODWQVFHX-NSHDSACASA-N 2 1 224.373 2.022 20 0 BEADMP FC1(C[NH2+]C2CC[NH2+]CC2)CCCCC1 ZINC001246176189 987545631 /nfs/dbraw/zinc/54/56/31/987545631.db2.gz MGRRQEFVMHAYOD-UHFFFAOYSA-N 2 1 214.328 2.000 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C2(Cc3ccccc3)CC2)C[NH2+]1 ZINC001246193966 987587003 /nfs/dbraw/zinc/58/70/03/987587003.db2.gz YPCBZWHMIVZHTG-UKRRQHHQSA-N 2 1 244.382 2.492 20 0 BEADMP C[NH+](C)CCC[NH2+]Cc1ccc2scnc2c1 ZINC001473910931 987616942 /nfs/dbraw/zinc/61/69/42/987616942.db2.gz ICFWQNHEGUWJFO-UHFFFAOYSA-N 2 1 249.383 2.338 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c(F)c1 ZINC001246229572 987627386 /nfs/dbraw/zinc/62/73/86/987627386.db2.gz DJRYTQIPPNGYOA-WCQYABFASA-N 2 1 236.334 2.364 20 0 BEADMP Cc1ccnc(CCC[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC001246240040 987637370 /nfs/dbraw/zinc/63/73/70/987637370.db2.gz LIYYFPIYDQFJIW-HIFRSBDPSA-N 2 1 247.386 2.053 20 0 BEADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccn1 ZINC001246241621 987641618 /nfs/dbraw/zinc/64/16/18/987641618.db2.gz XNXBAYSPHKHIGR-QNMSZWNNSA-N 2 1 245.370 2.405 20 0 BEADMP CCCC[C@H]1C[C@@H]([NH2+]CCC(C)(C)[NH3+])CC[NH2+]1 ZINC001246271911 987658248 /nfs/dbraw/zinc/65/82/48/987658248.db2.gz JGHCJVOMSDHPLH-STQMWFEESA-N 3 1 241.423 2.014 20 0 BEADMP CCNCC[NH2+][C@H](C)Cc1ccc(CC)cc1 ZINC001246270768 987667483 /nfs/dbraw/zinc/66/74/83/987667483.db2.gz CUWAHSNRDZVDMO-CYBMUJFWSA-N 2 1 234.387 2.379 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](C)Cc1ccc(CC)cc1 ZINC001246270768 987667488 /nfs/dbraw/zinc/66/74/88/987667488.db2.gz CUWAHSNRDZVDMO-CYBMUJFWSA-N 2 1 234.387 2.379 20 0 BEADMP CC[C@@H]1C[C@H]([NH2+]CCC(C)(C)[NH3+])C[C@H](CC)[NH2+]1 ZINC001246273662 987670244 /nfs/dbraw/zinc/67/02/44/987670244.db2.gz QNYQVQFZGHGTNS-ITGUQSILSA-N 3 1 241.423 2.013 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CSc2ccccc2C1 ZINC001246314926 987721527 /nfs/dbraw/zinc/72/15/27/987721527.db2.gz RHCCJNJWNLQCFL-RYUDHWBXSA-N 2 1 236.384 2.030 20 0 BEADMP CC[C@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC001246329203 987733678 /nfs/dbraw/zinc/73/36/78/987733678.db2.gz MGYDQZSXIYEYTJ-CYDGBPFRSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C)C[NH2+]1 ZINC001246332407 987737487 /nfs/dbraw/zinc/73/74/87/987737487.db2.gz KZVKDWZGOLKRRQ-WUHRBBMRSA-N 2 1 210.365 2.295 20 0 BEADMP c1ccc(CCCC[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246338104 987741163 /nfs/dbraw/zinc/74/11/63/987741163.db2.gz AALRNXNUUPOTDA-OAHLLOKOSA-N 2 1 232.371 2.351 20 0 BEADMP C[C@@H](Cc1cccc(O)c1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246352492 987758645 /nfs/dbraw/zinc/75/86/45/987758645.db2.gz PBHPQRYOXWBFBX-DYEKYZERSA-N 2 1 248.370 2.053 20 0 BEADMP C[C@@H](Cc1cccc(O)c1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246352492 987758655 /nfs/dbraw/zinc/75/86/55/987758655.db2.gz PBHPQRYOXWBFBX-DYEKYZERSA-N 2 1 248.370 2.053 20 0 BEADMP Cc1ccc(C[C@@H](C)N[C@@H]2CCC[NH2+]C2)cc1 ZINC001246352712 987759711 /nfs/dbraw/zinc/75/97/11/987759711.db2.gz YWSHWSBBCBUQGZ-UKRRQHHQSA-N 2 1 232.371 2.268 20 0 BEADMP Cc1ccc(C[C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246352712 987759719 /nfs/dbraw/zinc/75/97/19/987759719.db2.gz YWSHWSBBCBUQGZ-UKRRQHHQSA-N 2 1 232.371 2.268 20 0 BEADMP CCCC[C@@H]1C[C@@H]([NH2+]C(C)(C)CC[NH3+])CC[NH2+]1 ZINC001246357823 987763210 /nfs/dbraw/zinc/76/32/10/987763210.db2.gz ASTHAITYFFKGAQ-OLZOCXBDSA-N 3 1 241.423 2.014 20 0 BEADMP CC[C@@H]1CC([NH2+]C(C)(C)CC[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246362487 987767068 /nfs/dbraw/zinc/76/70/68/987767068.db2.gz LWPQJQLCRDVLFV-VXGBXAGGSA-N 3 1 241.423 2.013 20 0 BEADMP Cc1cc2c(cn1)[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC001246374790 987776150 /nfs/dbraw/zinc/77/61/50/987776150.db2.gz VHPZQGRCDWQGEM-KYOSRNDESA-N 2 1 245.370 2.107 20 0 BEADMP CCCC1([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)CCC1 ZINC001246387007 987781302 /nfs/dbraw/zinc/78/13/02/987781302.db2.gz QVTMWKCQFDXRBT-NWDGAFQWSA-N 2 1 210.365 2.439 20 0 BEADMP Fc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC001246395971 987784167 /nfs/dbraw/zinc/78/41/67/987784167.db2.gz NKAFZOWOPMSDOZ-GJZGRUSLSA-N 2 1 248.345 2.025 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C(C)(C)CC2CC2)C[NH2+]1 ZINC001246395410 987784856 /nfs/dbraw/zinc/78/48/56/987784856.db2.gz VYRBRTVUYTWNOT-PWSUYJOCSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCc3ccccc32)C[NH2+]1 ZINC001246422460 987795602 /nfs/dbraw/zinc/79/56/02/987795602.db2.gz WZJVBNZTOIQKQX-BPLDGKMQSA-N 2 1 244.382 2.447 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C2(CC3CC3)CC2)C[NH2+]1 ZINC001246442834 987799615 /nfs/dbraw/zinc/79/96/15/987799615.db2.gz FAJWLOSJXBRXKJ-PWSUYJOCSA-N 2 1 208.349 2.049 20 0 BEADMP FC1(F)CCC[C@H](C[NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001246438471 987800484 /nfs/dbraw/zinc/80/04/84/987800484.db2.gz YBGTZWUBQLBIPG-QWRGUYRKSA-N 2 1 232.318 2.154 20 0 BEADMP Cc1cccnc1C(C)(C)C[NH2+][C@H]1CCC[NH2+]C1 ZINC001246443052 987802218 /nfs/dbraw/zinc/80/22/18/987802218.db2.gz WGRZZPLPEJBIDY-ZDUSSCGKSA-N 2 1 247.386 2.009 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2Cc3ccc(F)cc3C2)C[NH2+]1 ZINC001246455513 987812797 /nfs/dbraw/zinc/81/27/97/987812797.db2.gz XLIGNWKDSXVSMT-ONERCXAPSA-N 2 1 248.345 2.023 20 0 BEADMP CC[C@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H](C)C2)C1 ZINC001246499047 987854511 /nfs/dbraw/zinc/85/45/11/987854511.db2.gz RPGQDVYIJKLATB-XQHKEYJVSA-N 2 1 210.365 2.153 20 0 BEADMP CCCCC[C@@H](CC)[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC001246535694 987895587 /nfs/dbraw/zinc/89/55/87/987895587.db2.gz OTSUEILOINSQML-ZIAGYGMSSA-N 2 1 242.407 2.395 20 0 BEADMP CC(C)COCC[C@H](C)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246540433 987901010 /nfs/dbraw/zinc/90/10/10/987901010.db2.gz GUKGVLOURHFJCB-IHRRRGAJSA-N 2 1 242.407 2.249 20 0 BEADMP CC(C)COCC[C@H](C)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246540433 987901015 /nfs/dbraw/zinc/90/10/15/987901015.db2.gz GUKGVLOURHFJCB-IHRRRGAJSA-N 2 1 242.407 2.249 20 0 BEADMP C[C@H]1C[N@H+]([C@@H]2CC[C@@H](C)[C@H](C)C2)C[C@H]1C[NH3+] ZINC001246541670 987910108 /nfs/dbraw/zinc/91/01/08/987910108.db2.gz MNKURBWAUIAWSS-RKQHYHRCSA-N 2 1 224.392 2.338 20 0 BEADMP CCCC[C@H](CC)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246545131 987917500 /nfs/dbraw/zinc/91/75/00/987917500.db2.gz TYZFCTJJCOJLSZ-UONOGXRCSA-N 2 1 242.407 2.131 20 0 BEADMP Cc1ccc(C[C@H](C)[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001246544727 987919339 /nfs/dbraw/zinc/91/93/39/987919339.db2.gz YKAYBTQKAXMKEV-OFQRWUPVSA-N 2 1 246.398 2.453 20 0 BEADMP Cc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@H]([NH3+])[C@H]1C)CC2 ZINC001246546107 987927241 /nfs/dbraw/zinc/92/72/41/987927241.db2.gz YGKRPQSEBQNIFO-DAXOMENPSA-N 2 1 244.382 2.274 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1[C@H]1CCc2cc(F)ccc2C1 ZINC001246546749 987927720 /nfs/dbraw/zinc/92/77/20/987927720.db2.gz BKLJGBBFRCVDKE-WKPIXPDZSA-N 2 1 248.345 2.105 20 0 BEADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1[C@H]1CCc2cc(F)ccc2C1 ZINC001246546749 987927731 /nfs/dbraw/zinc/92/77/31/987927731.db2.gz BKLJGBBFRCVDKE-WKPIXPDZSA-N 2 1 248.345 2.105 20 0 BEADMP CO[C@@H]1CCC[C@@H]([N@H+]2CCC[C@](C)([NH3+])CC2)C1 ZINC001246546812 987929101 /nfs/dbraw/zinc/92/91/01/987929101.db2.gz AKRHKGCNEADANT-MCIONIFRSA-N 2 1 240.391 2.147 20 0 BEADMP C[C@H](CC1CC1)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246548367 987934687 /nfs/dbraw/zinc/93/46/87/987934687.db2.gz GIAITTQLRHXXJW-YPMHNXCESA-N 2 1 210.365 2.378 20 0 BEADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001246549937 987946869 /nfs/dbraw/zinc/94/68/69/987946869.db2.gz LAQBWAJWQVJKGT-FQUUOJAGSA-N 2 1 236.403 2.352 20 0 BEADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CCO1 ZINC001246552070 987951151 /nfs/dbraw/zinc/95/11/51/987951151.db2.gz NRBVZNCPKHXICI-GXTWGEPZSA-N 2 1 240.391 2.147 20 0 BEADMP CSCC[C@@H](C)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246552935 987951984 /nfs/dbraw/zinc/95/19/84/987951984.db2.gz QDXBDAMEBHOKGZ-NEPJUHHUSA-N 2 1 230.421 2.331 20 0 BEADMP CCC(CC)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246561923 987998626 /nfs/dbraw/zinc/99/86/26/987998626.db2.gz USYNDFFNBYPQKT-NEPJUHHUSA-N 2 1 212.381 2.482 20 0 BEADMP CCC(CC)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246561924 987998649 /nfs/dbraw/zinc/99/86/49/987998649.db2.gz USYNDFFNBYPQKT-NWDGAFQWSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)C1 ZINC001246561458 987999724 /nfs/dbraw/zinc/99/97/24/987999724.db2.gz SUMGDYFFCQGTCT-SYQHCUMBSA-N 2 1 224.392 2.482 20 0 BEADMP CCCCC(CCCC)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246562801 988001441 /nfs/dbraw/zinc/00/14/41/988001441.db2.gz ZMOVRTBITNFCSS-ZIAGYGMSSA-N 2 1 242.407 2.129 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C)[C@H](C)C2)CC[NH2+]1 ZINC001246578140 988087884 /nfs/dbraw/zinc/08/78/84/988087884.db2.gz YJQMPHGCOLYBLB-AAVRWANBSA-N 2 1 224.392 2.495 20 0 BEADMP [NH3+]C[C@]1(F)CCCC[N@@H+](C2CCCCC2)C1 ZINC001246581530 988114096 /nfs/dbraw/zinc/11/40/96/988114096.db2.gz QLMHQNHWMGRGCU-CYBMUJFWSA-N 2 1 228.355 2.472 20 0 BEADMP [NH3+]C[C@]1(F)CCCC[N@H+](C2CCCCC2)C1 ZINC001246581530 988114106 /nfs/dbraw/zinc/11/41/06/988114106.db2.gz QLMHQNHWMGRGCU-CYBMUJFWSA-N 2 1 228.355 2.472 20 0 BEADMP C[C@@H](CC1CC1)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246584477 988134982 /nfs/dbraw/zinc/13/49/82/988134982.db2.gz WZDFAWCKJRJDJS-WCQYABFASA-N 2 1 228.355 2.328 20 0 BEADMP C[C@@H](CC1CC1)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246584477 988134988 /nfs/dbraw/zinc/13/49/88/988134988.db2.gz WZDFAWCKJRJDJS-WCQYABFASA-N 2 1 228.355 2.328 20 0 BEADMP CC1(C)[C@@H]2C[C@H]([N@H+]3CCCC[C@@H](C[NH3+])C3)C[C@@H]21 ZINC001246584946 988136044 /nfs/dbraw/zinc/13/60/44/988136044.db2.gz XBBWFQLWPIYKRX-FQUUOJAGSA-N 2 1 236.403 2.482 20 0 BEADMP C[C@H](CC1CC1)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246584475 988136401 /nfs/dbraw/zinc/13/64/01/988136401.db2.gz WZDFAWCKJRJDJS-DGCLKSJQSA-N 2 1 228.355 2.328 20 0 BEADMP C[C@H](CC1CC1)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246584475 988136405 /nfs/dbraw/zinc/13/64/05/988136405.db2.gz WZDFAWCKJRJDJS-DGCLKSJQSA-N 2 1 228.355 2.328 20 0 BEADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001246585014 988136547 /nfs/dbraw/zinc/13/65/47/988136547.db2.gz NRZXXXUJXNWLTQ-XJFOESAGSA-N 2 1 222.376 2.236 20 0 BEADMP CC1(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001118243512 988149196 /nfs/dbraw/zinc/14/91/96/988149196.db2.gz UPXSJPMNVRZMGV-UHFFFAOYSA-N 2 1 222.376 2.252 20 0 BEADMP C[C@H](Cc1ccccn1)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246592530 988180242 /nfs/dbraw/zinc/18/02/42/988180242.db2.gz KBGCQTOZJRHHAP-KGLIPLIRSA-N 2 1 247.386 2.073 20 0 BEADMP C[C@H]1C[C@H]([N@H+]2CCCC[C@@](C)(C[NH3+])C2)CCO1 ZINC001246594250 988187476 /nfs/dbraw/zinc/18/74/76/988187476.db2.gz PIEDEAYFKWHYIY-MJBXVCDLSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)C[C@H]1C ZINC001246617539 988250537 /nfs/dbraw/zinc/25/05/37/988250537.db2.gz DBILPCBQUSZUSJ-NIFZNCRKSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)C[C@@H]1C ZINC001246617538 988256588 /nfs/dbraw/zinc/25/65/88/988256588.db2.gz DBILPCBQUSZUSJ-GZBLMMOJSA-N 2 1 236.403 2.495 20 0 BEADMP CC1(C)CCC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246629779 988305914 /nfs/dbraw/zinc/30/59/14/988305914.db2.gz GLOOVYGWHCNHOJ-RWMBFGLXSA-N 2 1 222.376 2.391 20 0 BEADMP CCCC[C@@H](CC)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246634931 988314197 /nfs/dbraw/zinc/31/41/97/988314197.db2.gz BLWVYKGJPCPNQT-JHJVBQTASA-N 2 1 210.365 2.391 20 0 BEADMP CC[C@H](Cc1ccccc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246636304 988331170 /nfs/dbraw/zinc/33/11/70/988331170.db2.gz GEGGVJOEUIMRKL-BZUAXINKSA-N 2 1 244.382 2.444 20 0 BEADMP CC[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246636304 988331187 /nfs/dbraw/zinc/33/11/87/988331187.db2.gz GEGGVJOEUIMRKL-BZUAXINKSA-N 2 1 244.382 2.444 20 0 BEADMP CC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246636300 988331689 /nfs/dbraw/zinc/33/16/89/988331689.db2.gz GEGGVJOEUIMRKL-ARFHVFGLSA-N 2 1 244.382 2.444 20 0 BEADMP CC[C@@H](Cc1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246636300 988331705 /nfs/dbraw/zinc/33/17/05/988331705.db2.gz GEGGVJOEUIMRKL-ARFHVFGLSA-N 2 1 244.382 2.444 20 0 BEADMP CC1(C)CC[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246638519 988339006 /nfs/dbraw/zinc/33/90/06/988339006.db2.gz LXMAQSREJVZZSX-QJPTWQEYSA-N 2 1 208.349 2.001 20 0 BEADMP CC[C@@H](CC(C)C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246638659 988343007 /nfs/dbraw/zinc/34/30/07/988343007.db2.gz BSZFQDLWTPNLJJ-RWMBFGLXSA-N 2 1 210.365 2.247 20 0 BEADMP CC[C@H]1CC[C@@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246644306 988353992 /nfs/dbraw/zinc/35/39/92/988353992.db2.gz SBRGLLAOYXLWIT-QNWHQSFQSA-N 2 1 208.349 2.001 20 0 BEADMP CC[C@@H](C)C[C@H](CC)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246643815 988354786 /nfs/dbraw/zinc/35/47/86/988354786.db2.gz DJBDXGRZCKIJRS-ZOBORPQBSA-N 2 1 224.392 2.495 20 0 BEADMP CCSC[C@@H](C)[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246644004 988356174 /nfs/dbraw/zinc/35/61/74/988356174.db2.gz OVYRYMKYSYLRRN-CHWSQXEVSA-N 2 1 242.432 2.346 20 0 BEADMP CCSC[C@@H](C)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246644004 988356181 /nfs/dbraw/zinc/35/61/81/988356181.db2.gz OVYRYMKYSYLRRN-CHWSQXEVSA-N 2 1 242.432 2.346 20 0 BEADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246644771 988357972 /nfs/dbraw/zinc/35/79/72/988357972.db2.gz LSHODFREEADKBU-XUXIUFHCSA-N 2 1 224.392 2.480 20 0 BEADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246644771 988357986 /nfs/dbraw/zinc/35/79/86/988357986.db2.gz LSHODFREEADKBU-XUXIUFHCSA-N 2 1 224.392 2.480 20 0 BEADMP CCOCC[C@H](C)[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246646428 988360815 /nfs/dbraw/zinc/36/08/15/988360815.db2.gz ZVLYDOMOJZMIDK-KBPBESRZSA-N 2 1 240.391 2.020 20 0 BEADMP CCOCC[C@H](C)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246646428 988360822 /nfs/dbraw/zinc/36/08/22/988360822.db2.gz ZVLYDOMOJZMIDK-KBPBESRZSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C[C@H]1C ZINC001246647145 988364227 /nfs/dbraw/zinc/36/42/27/988364227.db2.gz ZEYVORMFGNMNBC-XGFWRYKXSA-N 2 1 222.376 2.247 20 0 BEADMP CC[C@@H](CC(C)C)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246649151 988373605 /nfs/dbraw/zinc/37/36/05/988373605.db2.gz ALOGTNNSRSGCFN-RWMBFGLXSA-N 2 1 210.365 2.105 20 0 BEADMP CC[C@@H](C)C[C@@H](CC)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246653444 988375051 /nfs/dbraw/zinc/37/50/51/988375051.db2.gz SZABWMCKKATUHC-XJFOESAGSA-N 2 1 224.392 2.495 20 0 BEADMP CC1(C)CCC[C@@H]([N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC001246654682 988377856 /nfs/dbraw/zinc/37/78/56/988377856.db2.gz WPEDCILGFNLRPK-YNEHKIRRSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C2CC3(CC3(F)F)C2)CC[N@@H+]1C ZINC001118491992 988378722 /nfs/dbraw/zinc/37/87/22/988378722.db2.gz MBRKIYGXANVJSY-DMOGRIERSA-N 2 1 244.329 2.247 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C2CC3(CC3(F)F)C2)CC[N@H+]1C ZINC001118491992 988378731 /nfs/dbraw/zinc/37/87/31/988378731.db2.gz MBRKIYGXANVJSY-DMOGRIERSA-N 2 1 244.329 2.247 20 0 BEADMP CC(C)CCC[C@@H](C)[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246655775 988384291 /nfs/dbraw/zinc/38/42/91/988384291.db2.gz ZZLXNTIRCYWNTR-HZSPNIEDSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)CCC[C@@H](C)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246655775 988384300 /nfs/dbraw/zinc/38/43/00/988384300.db2.gz ZZLXNTIRCYWNTR-HZSPNIEDSA-N 2 1 224.392 2.495 20 0 BEADMP C1C[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]2C1 ZINC001246656412 988385136 /nfs/dbraw/zinc/38/51/36/988385136.db2.gz NQHUFJDJNMNKQS-JZAZDWQXSA-N 2 1 234.387 2.391 20 0 BEADMP C1C[C@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]2C1 ZINC001246656412 988385147 /nfs/dbraw/zinc/38/51/47/988385147.db2.gz NQHUFJDJNMNKQS-JZAZDWQXSA-N 2 1 234.387 2.391 20 0 BEADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3CCC[C@H]3C2)C[NH2+]1 ZINC001246655753 988385417 /nfs/dbraw/zinc/38/54/17/988385417.db2.gz KPWDWZPXUFMISZ-RFGFWPKPSA-N 2 1 222.376 2.249 20 0 BEADMP C1C[C@@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]2C1 ZINC001246656410 988386455 /nfs/dbraw/zinc/38/64/55/988386455.db2.gz NQHUFJDJNMNKQS-ARJVPZMDSA-N 2 1 234.387 2.391 20 0 BEADMP C1C[C@@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]2C1 ZINC001246656410 988386462 /nfs/dbraw/zinc/38/64/62/988386462.db2.gz NQHUFJDJNMNKQS-ARJVPZMDSA-N 2 1 234.387 2.391 20 0 BEADMP C[C@H]1CCC[C@@H]([N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)C1 ZINC001246659257 988392575 /nfs/dbraw/zinc/39/25/75/988392575.db2.gz RIICSFOYHHYGEM-DGAVXFQQSA-N 2 1 222.376 2.249 20 0 BEADMP CC[C@H]1CC[C@H]([N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)C1 ZINC001246662293 988398065 /nfs/dbraw/zinc/39/80/65/988398065.db2.gz ZJCUOSUOCJVSCZ-CRWXNKLISA-N 2 1 222.376 2.249 20 0 BEADMP CC1(C)CC[C@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC001246662564 988400701 /nfs/dbraw/zinc/40/07/01/988400701.db2.gz IHPBRGJPUSIKKM-MBNYWOFBSA-N 2 1 222.376 2.378 20 0 BEADMP CCc1ccc(C[C@H](C)[N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)cc1 ZINC001246667058 988411468 /nfs/dbraw/zinc/41/14/68/988411468.db2.gz XPUHYORMDQDULT-KSYCFECVSA-N 2 1 244.382 2.069 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)CC(C)(C)C1 ZINC001246672750 988414604 /nfs/dbraw/zinc/41/46/04/988414604.db2.gz LGJIRXWEVMKIAM-RFGFWPKPSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3C[NH2+]CC[C@H]32)CC(C)(C)C1 ZINC001246672753 988415292 /nfs/dbraw/zinc/41/52/92/988415292.db2.gz LGJIRXWEVMKIAM-ZOBORPQBSA-N 2 1 236.403 2.495 20 0 BEADMP CCc1cc(NC[C@@H]2CCC[N@H+](CC)C2)cc[nH+]1 ZINC001118579328 988461994 /nfs/dbraw/zinc/46/19/94/988461994.db2.gz DTKDJSRWFKLBQB-ZDUSSCGKSA-N 2 1 247.386 2.210 20 0 BEADMP FC(F)[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246805219 988483331 /nfs/dbraw/zinc/48/33/31/988483331.db2.gz CGAMJUBQZXBNHO-WSMDXJOWSA-N 2 1 244.329 2.247 20 0 BEADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C(F)F)C2)CC[NH2+]1 ZINC001246810670 988491918 /nfs/dbraw/zinc/49/19/18/988491918.db2.gz YOMQIUPEFALBEJ-MXWKQRLJSA-N 2 1 232.318 2.104 20 0 BEADMP CCCCC[C@@H](CCC)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001246823405 988512746 /nfs/dbraw/zinc/51/27/46/988512746.db2.gz GFSMVEDUALUGSB-KGLIPLIRSA-N 2 1 242.407 2.395 20 0 BEADMP CC(C)CC[C@H](C)[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001246842683 988546600 /nfs/dbraw/zinc/54/66/00/988546600.db2.gz DAGDJKVRDDUYOU-IHRRRGAJSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@H](Cc1ccc(F)cc1)[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246857602 988585203 /nfs/dbraw/zinc/58/52/03/988585203.db2.gz BAIXJBDZWBMPOP-UXIGCNINSA-N 2 1 248.345 2.180 20 0 BEADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246857602 988585225 /nfs/dbraw/zinc/58/52/25/988585225.db2.gz BAIXJBDZWBMPOP-UXIGCNINSA-N 2 1 248.345 2.180 20 0 BEADMP CC1(C)CCC([N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246859858 988593173 /nfs/dbraw/zinc/59/31/73/988593173.db2.gz KWMLIRXMHSHVCQ-SMDDNHRTSA-N 2 1 222.376 2.378 20 0 BEADMP CC(C)CC[C@H](C)[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246862120 988597625 /nfs/dbraw/zinc/59/76/25/988597625.db2.gz QBMRWEPKEWYPEA-AVGNSLFASA-N 2 1 210.365 2.234 20 0 BEADMP CCC[C@@H](CC)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246862807 988608795 /nfs/dbraw/zinc/60/87/95/988608795.db2.gz DRGCVQCDCYOLRA-RWMBFGLXSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1CC([N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)C[C@H](C)C1 ZINC001246867369 988623246 /nfs/dbraw/zinc/62/32/46/988623246.db2.gz OEVQJGQZKMAOAK-MQYQWHSLSA-N 2 1 236.403 2.495 20 0 BEADMP CC[C@H]1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)C1 ZINC001246869916 988626897 /nfs/dbraw/zinc/62/68/97/988626897.db2.gz XKPSIEJAOZTTIT-XDQVBPFNSA-N 2 1 222.376 2.249 20 0 BEADMP CCc1ccc(C[C@H](C)[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001246868027 988627012 /nfs/dbraw/zinc/62/70/12/988627012.db2.gz JJNZLDBIXACQQN-APHBMKBZSA-N 2 1 244.382 2.213 20 0 BEADMP CCc1ccc(C[C@H](C)[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001246868027 988627018 /nfs/dbraw/zinc/62/70/18/988627018.db2.gz JJNZLDBIXACQQN-APHBMKBZSA-N 2 1 244.382 2.213 20 0 BEADMP CCCCCC[C@H](C)[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246871655 988634539 /nfs/dbraw/zinc/63/45/39/988634539.db2.gz RDFUTDBORRKJMO-YNEHKIRRSA-N 2 1 210.365 2.378 20 0 BEADMP CCCCCC[C@H](C)[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246871655 988634553 /nfs/dbraw/zinc/63/45/53/988634553.db2.gz RDFUTDBORRKJMO-YNEHKIRRSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@H]1CCC[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246928725 988749769 /nfs/dbraw/zinc/74/97/69/988749769.db2.gz BTMCBCPGVNNINB-BYNSBNAKSA-N 2 1 236.403 2.497 20 0 BEADMP CC1CCC([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC1 ZINC001246929241 988752035 /nfs/dbraw/zinc/75/20/35/988752035.db2.gz DJOUSTSXQFAINA-HFDVOGEKSA-N 2 1 236.403 2.497 20 0 BEADMP C[N@@H+]([C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCCCCC1 ZINC001246939039 988765839 /nfs/dbraw/zinc/76/58/39/988765839.db2.gz ACUABZDPSTTYAG-WDNDVIMCSA-N 2 1 222.376 2.249 20 0 BEADMP CCSC[C@H](C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246939696 988771326 /nfs/dbraw/zinc/77/13/26/988771326.db2.gz GVLAVKIRLCSWFQ-RWMBFGLXSA-N 2 1 242.432 2.059 20 0 BEADMP C[C@H]([NH3+])C[N@H+](C)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001246982496 988815306 /nfs/dbraw/zinc/81/53/06/988815306.db2.gz WTOQZMKYKLOUEA-TVQRCGJNSA-N 2 1 238.762 2.086 20 0 BEADMP C[C@H]([NH3+])C[N@@H+](C)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001246982496 988815311 /nfs/dbraw/zinc/81/53/11/988815311.db2.gz WTOQZMKYKLOUEA-TVQRCGJNSA-N 2 1 238.762 2.086 20 0 BEADMP CCCCCC[C@@H](C)[N@@H+]1C[C@@H](OC)[C@@H](N)C1 ZINC001246982950 988816180 /nfs/dbraw/zinc/81/61/80/988816180.db2.gz KQXMPFKAWPEVQP-FRRDWIJNSA-N 2 1 228.380 2.003 20 0 BEADMP CCCCCC[C@@H](C)N1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982950 988816192 /nfs/dbraw/zinc/81/61/92/988816192.db2.gz KQXMPFKAWPEVQP-FRRDWIJNSA-N 2 1 228.380 2.003 20 0 BEADMP CSCC[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247006540 988837781 /nfs/dbraw/zinc/83/77/81/988837781.db2.gz ADJQPBNDRHPMFW-YNEHKIRRSA-N 2 1 242.432 2.202 20 0 BEADMP CSCC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247006540 988837785 /nfs/dbraw/zinc/83/77/85/988837785.db2.gz ADJQPBNDRHPMFW-YNEHKIRRSA-N 2 1 242.432 2.202 20 0 BEADMP C[NH+]1CCC([NH2+]Cc2cccn2C2CC2)CC1 ZINC001324659606 988910016 /nfs/dbraw/zinc/91/00/16/988910016.db2.gz DPFYAQBDQLPNEC-UHFFFAOYSA-N 2 1 233.359 2.007 20 0 BEADMP Cc1cccnc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC001324757230 988973056 /nfs/dbraw/zinc/97/30/56/988973056.db2.gz JEWXVMJXCSMZBU-CQSZACIVSA-N 2 1 247.386 2.212 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC001325743907 989249673 /nfs/dbraw/zinc/24/96/73/989249673.db2.gz REINDRZZGFOXKB-VHSXEESVSA-N 2 1 241.766 2.384 20 0 BEADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC001325743903 989250072 /nfs/dbraw/zinc/25/00/72/989250072.db2.gz REINDRZZGFOXKB-NXEZZACHSA-N 2 1 241.766 2.384 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C2(Cl)CC2)C1 ZINC001119623185 989254457 /nfs/dbraw/zinc/25/44/57/989254457.db2.gz FWZKVHVFIQLMFM-NEPJUHHUSA-N 2 1 244.810 2.468 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCC(F)(F)F ZINC001308287504 990958072 /nfs/dbraw/zinc/95/80/72/990958072.db2.gz VVXGZNLORKUQLS-UHFFFAOYSA-N 2 1 247.264 2.190 20 0 BEADMP CSCC[C@@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258215378 991134856 /nfs/dbraw/zinc/13/48/56/991134856.db2.gz BFMROGRSDWLZNO-UPJWGTAASA-N 2 1 242.432 2.012 20 0 BEADMP CSCC[C@@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001258215378 991134865 /nfs/dbraw/zinc/13/48/65/991134865.db2.gz BFMROGRSDWLZNO-UPJWGTAASA-N 2 1 242.432 2.012 20 0 BEADMP CSCC[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001258215378 991134874 /nfs/dbraw/zinc/13/48/74/991134874.db2.gz BFMROGRSDWLZNO-UPJWGTAASA-N 2 1 242.432 2.012 20 0 BEADMP CSCC[C@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258215379 991138223 /nfs/dbraw/zinc/13/82/23/991138223.db2.gz BFMROGRSDWLZNO-XQQFMLRXSA-N 2 1 242.432 2.012 20 0 BEADMP CSCC[C@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001258215379 991138228 /nfs/dbraw/zinc/13/82/28/991138228.db2.gz BFMROGRSDWLZNO-XQQFMLRXSA-N 2 1 242.432 2.012 20 0 BEADMP CSCC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001258215379 991138234 /nfs/dbraw/zinc/13/82/34/991138234.db2.gz BFMROGRSDWLZNO-XQQFMLRXSA-N 2 1 242.432 2.012 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCCC(C)(C)C3)C[C@@H]2C1 ZINC001258290554 991224912 /nfs/dbraw/zinc/22/49/12/991224912.db2.gz UIOCHKNFJPYTQI-MJBXVCDLSA-N 2 1 236.403 2.449 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCCC(C)(C)C3)C[C@@H]2C1 ZINC001258290554 991224920 /nfs/dbraw/zinc/22/49/20/991224920.db2.gz UIOCHKNFJPYTQI-MJBXVCDLSA-N 2 1 236.403 2.449 20 0 BEADMP CCCCC[C@H](CC)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001258428308 991349618 /nfs/dbraw/zinc/34/96/18/991349618.db2.gz MXIXMMIUZJNBGV-STQMWFEESA-N 2 1 228.380 2.005 20 0 BEADMP CCCCC[C@H](CC)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001258428308 991349623 /nfs/dbraw/zinc/34/96/23/991349623.db2.gz MXIXMMIUZJNBGV-STQMWFEESA-N 2 1 228.380 2.005 20 0 BEADMP CCCCC[C@H](CC)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001258428307 991352645 /nfs/dbraw/zinc/35/26/45/991352645.db2.gz MXIXMMIUZJNBGV-QWHCGFSZSA-N 2 1 228.380 2.005 20 0 BEADMP CCCCC[C@H](CC)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001258428307 991352649 /nfs/dbraw/zinc/35/26/49/991352649.db2.gz MXIXMMIUZJNBGV-QWHCGFSZSA-N 2 1 228.380 2.005 20 0 BEADMP C1[C@H]2CCC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)[C@@H]12 ZINC001560500815 991486784 /nfs/dbraw/zinc/48/67/84/991486784.db2.gz DNFJOCUWIWKGKC-ZSAUSMIDSA-N 2 1 234.387 2.391 20 0 BEADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@H](N)C1 ZINC001258648999 991583832 /nfs/dbraw/zinc/58/38/32/991583832.db2.gz ATTBYRYHCAQSLZ-LSDHHAIUSA-N 2 1 232.371 2.431 20 0 BEADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@H]([NH3+])C1 ZINC001258648999 991583859 /nfs/dbraw/zinc/58/38/59/991583859.db2.gz ATTBYRYHCAQSLZ-LSDHHAIUSA-N 2 1 232.371 2.431 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc(C)n1 ZINC001560749839 991587137 /nfs/dbraw/zinc/58/71/37/991587137.db2.gz MZAXGYXYHJCNTF-AWEZNQCLSA-N 2 1 247.386 2.082 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc(C)n1 ZINC001560749839 991587149 /nfs/dbraw/zinc/58/71/49/991587149.db2.gz MZAXGYXYHJCNTF-AWEZNQCLSA-N 2 1 247.386 2.082 20 0 BEADMP CCC[NH+]1CCC([NH2+]Cc2ccc(C)n2C)CC1 ZINC001258766070 991723833 /nfs/dbraw/zinc/72/38/33/991723833.db2.gz LRUSIVKXNOEQRH-UHFFFAOYSA-N 2 1 249.402 2.298 20 0 BEADMP CCC[NH+]1CCC([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC1 ZINC001258773987 991736487 /nfs/dbraw/zinc/73/64/87/991736487.db2.gz GPGDYVMKMVMVQP-FPMFFAJLSA-N 2 1 240.366 2.293 20 0 BEADMP CCC[NH+]1CCC([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC1 ZINC001258773987 991736495 /nfs/dbraw/zinc/73/64/95/991736495.db2.gz GPGDYVMKMVMVQP-FPMFFAJLSA-N 2 1 240.366 2.293 20 0 BEADMP CCC[NH+]1CCC([N@H+]2CCC3(CC3)C2)CC1 ZINC001258772295 991740330 /nfs/dbraw/zinc/74/03/30/991740330.db2.gz MMTIXCCPSAISIA-UHFFFAOYSA-N 2 1 222.376 2.347 20 0 BEADMP COCCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001319393510 991855317 /nfs/dbraw/zinc/85/53/17/991855317.db2.gz LUXCNYBRSVJNIM-BFHYXJOUSA-N 2 1 242.407 2.264 20 0 BEADMP C[NH2+][C@@H](C)CC[NH2+][C@H]1CCCc2cccnc21 ZINC001261424501 992296960 /nfs/dbraw/zinc/29/69/60/992296960.db2.gz WBDITYFJMGRDEC-AAEUAGOBSA-N 2 1 233.359 2.047 20 0 BEADMP C[C@]1([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC[NH2+]C1 ZINC001573626307 992653359 /nfs/dbraw/zinc/65/33/59/992653359.db2.gz OQWNCBFJBIYVRM-KFWWJZLASA-N 2 1 230.355 2.132 20 0 BEADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC001575423816 993042219 /nfs/dbraw/zinc/04/22/19/993042219.db2.gz YPBYGDFYDFQJPZ-KGLIPLIRSA-N 2 1 224.392 2.339 20 0 BEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC001575498154 993059392 /nfs/dbraw/zinc/05/93/92/993059392.db2.gz IXNRCRCAOHRLBH-IKOXMDCHSA-N 2 1 224.392 2.397 20 0 BEADMP C[C@@H](CCc1ccccc1F)[NH2+]C[C@@H]1CC[NH2+]1 ZINC001575965750 993143185 /nfs/dbraw/zinc/14/31/85/993143185.db2.gz FHUSVRMKBZFBKR-AAEUAGOBSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCC2 ZINC001576102173 993180208 /nfs/dbraw/zinc/18/02/08/993180208.db2.gz CBCVUDYRJWBFGG-VXGBXAGGSA-N 2 1 232.371 2.391 20 0 BEADMP CC1CCC([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CC1 ZINC000585381954 993259463 /nfs/dbraw/zinc/25/94/63/993259463.db2.gz DVXBJXLHULWPOT-AKJUYKBHSA-N 2 1 222.376 2.059 20 0 BEADMP CC1CCC([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CC1 ZINC000585381954 993259474 /nfs/dbraw/zinc/25/94/74/993259474.db2.gz DVXBJXLHULWPOT-AKJUYKBHSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@H]1C[C@@H]([N@@H+]2CC3CCC2CC3)CC[NH2+]1 ZINC000379821947 993280026 /nfs/dbraw/zinc/28/00/26/993280026.db2.gz USQHSHGRBINMBA-WTIISPKJSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@H]1C[C@@H]([N@H+]2CC3CCC2CC3)CC[NH2+]1 ZINC000379821947 993280035 /nfs/dbraw/zinc/28/00/35/993280035.db2.gz USQHSHGRBINMBA-WTIISPKJSA-N 2 1 208.349 2.001 20 0 BEADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC001576380196 993285654 /nfs/dbraw/zinc/28/56/54/993285654.db2.gz JVUCDMYXCSTYKS-YNEHKIRRSA-N 2 1 245.370 2.174 20 0 BEADMP C[C@@H]1CCC(F)(F)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC001576655734 993384573 /nfs/dbraw/zinc/38/45/73/993384573.db2.gz CMGKHTQEJDDDEB-LLVKDONJSA-N 2 1 246.345 2.496 20 0 BEADMP C[C@@H]1CCC(F)(F)C[N@H+]1CCC1CC[NH2+]CC1 ZINC001576655734 993384578 /nfs/dbraw/zinc/38/45/78/993384578.db2.gz CMGKHTQEJDDDEB-LLVKDONJSA-N 2 1 246.345 2.496 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C[C@H]1C ZINC001576732438 993407793 /nfs/dbraw/zinc/40/77/93/993407793.db2.gz UHEVJINALQQPCX-FVCCEPFGSA-N 2 1 210.365 2.092 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cs1 ZINC000381590764 993407715 /nfs/dbraw/zinc/40/77/15/993407715.db2.gz CZHYKKMXQSEIAM-OLZOCXBDSA-N 2 1 236.384 2.240 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cs1 ZINC000381590764 993407718 /nfs/dbraw/zinc/40/77/18/993407718.db2.gz CZHYKKMXQSEIAM-OLZOCXBDSA-N 2 1 236.384 2.240 20 0 BEADMP C[C@@H]([NH2+][C@H]1[C@H](C)CC[NH2+][C@@H]1C)C1CC(F)(F)C1 ZINC001576748361 993412963 /nfs/dbraw/zinc/41/29/63/993412963.db2.gz IYXWQLZKQZTBRC-BFLSOPEQSA-N 2 1 246.345 2.396 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC001576750615 993414013 /nfs/dbraw/zinc/41/40/13/993414013.db2.gz WCXSLATZKIFRNQ-MQYQWHSLSA-N 2 1 222.376 2.319 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC000381877408 993430021 /nfs/dbraw/zinc/43/00/21/993430021.db2.gz NMNXCDDLJRNACS-MQYQWHSLSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@H]1C[NH2+]C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C1 ZINC001576851120 993433538 /nfs/dbraw/zinc/43/35/38/993433538.db2.gz XWJZCVPCYWFEBK-CABNGKKXSA-N 2 1 222.376 2.010 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C1 ZINC001576851122 993434842 /nfs/dbraw/zinc/43/48/42/993434842.db2.gz XWJZCVPCYWFEBK-DEQVHRJGSA-N 2 1 222.376 2.010 20 0 BEADMP C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001576913895 993453585 /nfs/dbraw/zinc/45/35/85/993453585.db2.gz MBJIEGWBAOZAEV-YWPYICTPSA-N 2 1 246.354 2.098 20 0 BEADMP N[C@H]1CC[N@H+](CCCCOCc2ccccc2)C1 ZINC000383833667 993522568 /nfs/dbraw/zinc/52/25/68/993522568.db2.gz SCPYBAUVTRZVHE-HNNXBMFYSA-N 2 1 248.370 2.016 20 0 BEADMP N[C@H]1CC[N@@H+](CCCCOCc2ccccc2)C1 ZINC000383833667 993522583 /nfs/dbraw/zinc/52/25/83/993522583.db2.gz SCPYBAUVTRZVHE-HNNXBMFYSA-N 2 1 248.370 2.016 20 0 BEADMP [NH3+][C@H]1CC[N@H+](CCCCOCc2ccccc2)C1 ZINC000383833667 993522594 /nfs/dbraw/zinc/52/25/94/993522594.db2.gz SCPYBAUVTRZVHE-HNNXBMFYSA-N 2 1 248.370 2.016 20 0 BEADMP [NH3+][C@H]1CC[N@@H+](CCCCOCc2ccccc2)C1 ZINC000383833667 993522608 /nfs/dbraw/zinc/52/26/08/993522608.db2.gz SCPYBAUVTRZVHE-HNNXBMFYSA-N 2 1 248.370 2.016 20 0 BEADMP [NH3+]CCCC[N@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC000383986457 993531240 /nfs/dbraw/zinc/53/12/40/993531240.db2.gz AUYLDGSUBBHUGY-OAHLLOKOSA-N 2 1 248.370 2.016 20 0 BEADMP CC[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)[C@@H]1C ZINC001577263387 993567122 /nfs/dbraw/zinc/56/71/22/993567122.db2.gz RMWFVMXRIMBMTH-TZMCWYRMSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H]1C ZINC001577262527 993571231 /nfs/dbraw/zinc/57/12/31/993571231.db2.gz IPIHVMBYMIGTHE-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC000385292878 993656268 /nfs/dbraw/zinc/65/62/68/993656268.db2.gz GQCBIOTWDFJIKK-GFCCVEGCSA-N 2 1 232.371 2.345 20 0 BEADMP N#Cc1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cc1 ZINC000386338141 993684756 /nfs/dbraw/zinc/68/47/56/993684756.db2.gz LDDNTCPFYKSRAP-OAHLLOKOSA-N 2 1 243.354 2.119 20 0 BEADMP CCCSC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001577597105 993690684 /nfs/dbraw/zinc/69/06/84/993690684.db2.gz QGDPRUBXYIQFCW-GRYCIOLGSA-N 2 1 230.421 2.248 20 0 BEADMP CC[N@H+](C[C@@H](C)OC)C[C@@H]([NH3+])CCC(C)(C)C ZINC001577672056 993718204 /nfs/dbraw/zinc/71/82/04/993718204.db2.gz SETSLJDYAWDXOO-OLZOCXBDSA-N 2 1 244.423 2.497 20 0 BEADMP CC[N@@H+](C[C@@H](C)OC)C[C@@H]([NH3+])CCC(C)(C)C ZINC001577672056 993718213 /nfs/dbraw/zinc/71/82/13/993718213.db2.gz SETSLJDYAWDXOO-OLZOCXBDSA-N 2 1 244.423 2.497 20 0 BEADMP [NH3+]C[C@@H]1CCCC[N@@H+](CCCC(F)(F)F)C1 ZINC000390495847 993790679 /nfs/dbraw/zinc/79/06/79/993790679.db2.gz RFFXGKREZDHTBX-JTQLQIEISA-N 2 1 238.297 2.390 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cs1 ZINC000390586340 993796031 /nfs/dbraw/zinc/79/60/31/993796031.db2.gz QUPGKINQLLQTLM-CYBMUJFWSA-N 2 1 236.384 2.242 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cs1 ZINC000390586340 993796037 /nfs/dbraw/zinc/79/60/37/993796037.db2.gz QUPGKINQLLQTLM-CYBMUJFWSA-N 2 1 236.384 2.242 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]CCCC(F)(F)F)CC1 ZINC000392889128 993888420 /nfs/dbraw/zinc/88/84/20/993888420.db2.gz MRMRATSTLWCLLA-UHFFFAOYSA-N 2 1 236.281 2.180 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@H](F)C1 ZINC001332897842 994391293 /nfs/dbraw/zinc/39/12/93/994391293.db2.gz LPYNKALKDMUNLU-IZXDZPFWSA-N 2 1 240.366 2.197 20 0 BEADMP Cc1cccnc1CCC[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000822111335 994416239 /nfs/dbraw/zinc/41/62/39/994416239.db2.gz JJGNTYZKGCKLGO-UONOGXRCSA-N 2 1 247.386 2.053 20 0 BEADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C1(C)CC1 ZINC000822125231 994418976 /nfs/dbraw/zinc/41/89/76/994418976.db2.gz RYOJCQFGHWWNOL-VXGBXAGGSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC001334389934 994588661 /nfs/dbraw/zinc/58/86/61/994588661.db2.gz KJPHHWZTUQXFDS-NOLJZWGESA-N 2 1 244.382 2.447 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CC=CCC1 ZINC001620805026 1170152608 /nfs/dbraw/zinc/15/26/08/1170152608.db2.gz GUKOADFAJLYPBL-CYBMUJFWSA-N 2 1 231.343 2.346 20 0 BEADMP C[NH+](C)C[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000023069973 1170488641 /nfs/dbraw/zinc/48/86/41/1170488641.db2.gz YTAFOHJEJRSXPZ-JEFIIJIESA-N 2 1 222.376 2.092 20 0 BEADMP CC(C)C[C@@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001620483117 1170673957 /nfs/dbraw/zinc/67/39/57/1170673957.db2.gz DYCKRVVAAYYIBG-MCIONIFRSA-N 2 1 224.392 2.305 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCCCC3)[C@H]2C1 ZINC001621107914 1170715535 /nfs/dbraw/zinc/71/55/35/1170715535.db2.gz CQWDGDSIFGGARO-FPMFFAJLSA-N 2 1 222.376 2.249 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCCCC3)[C@H]2C1 ZINC001621107916 1170717855 /nfs/dbraw/zinc/71/78/55/1170717855.db2.gz CQWDGDSIFGGARO-UBHSHLNASA-N 2 1 222.376 2.249 20 0 BEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC34CCC4)[C@H]2C1 ZINC001621570236 1170855572 /nfs/dbraw/zinc/85/55/72/1170855572.db2.gz NZOXIQQEMNPGEH-XDQVBPFNSA-N 2 1 234.387 2.249 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001621570544 1170858223 /nfs/dbraw/zinc/85/82/23/1170858223.db2.gz WYYBWVJIZJGHDY-IKOXMDCHSA-N 2 1 222.376 2.105 20 0 BEADMP C([C@@H]1CCC[NH2+]1)[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000036827222 1170919351 /nfs/dbraw/zinc/91/93/51/1170919351.db2.gz RYYKXPYZNYPFLF-HZSPNIEDSA-N 2 1 222.376 2.393 20 0 BEADMP C[C@H]1CCCC[N@H+]1CCCNc1cc(N)cc[nH+]1 ZINC000043568350 1171302763 /nfs/dbraw/zinc/30/27/63/1171302763.db2.gz UKHPBYVEVIOMNA-LBPRGKRZSA-N 2 1 248.374 2.340 20 0 BEADMP CO[C@H](C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000379241320 398141460 /nfs/dbraw/zinc/14/14/60/398141460.db2.gz WZKTUCDRJVNGKP-KCQAQPDRSA-N 2 1 248.370 2.043 20 0 BEADMP C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)CC1CC1 ZINC000161703218 538917276 /nfs/dbraw/zinc/91/72/76/538917276.db2.gz PFODZOTXPQGLFC-KGLIPLIRSA-N 2 1 222.376 2.393 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1F ZINC000126909424 178000727 /nfs/dbraw/zinc/00/07/27/178000727.db2.gz HIWVPSGJCIQHNE-DGCLKSJQSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)ccc1F ZINC000228060235 178004914 /nfs/dbraw/zinc/00/49/14/178004914.db2.gz VVVJAAIQBYLOBH-DGCLKSJQSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000336233902 178032481 /nfs/dbraw/zinc/03/24/81/178032481.db2.gz YZRJQVRQDDPFOM-CABCVRRESA-N 2 1 245.370 2.106 20 0 BEADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000336233902 178032483 /nfs/dbraw/zinc/03/24/83/178032483.db2.gz YZRJQVRQDDPFOM-CABCVRRESA-N 2 1 245.370 2.106 20 0 BEADMP CC[N@H+](CCCn1cc[nH+]c1C)CC1CC1 ZINC000161840190 349511224 /nfs/dbraw/zinc/51/12/24/349511224.db2.gz JFLHWAZIISESFB-UHFFFAOYSA-N 2 1 221.348 2.314 20 0 BEADMP CC[N@@H+](CCCn1cc[nH+]c1C)CC1CC1 ZINC000161840190 349511226 /nfs/dbraw/zinc/51/12/26/349511226.db2.gz JFLHWAZIISESFB-UHFFFAOYSA-N 2 1 221.348 2.314 20 0 BEADMP COCCC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415097784 398161342 /nfs/dbraw/zinc/16/13/42/398161342.db2.gz DLOKLWPKJAGIJT-LSDHHAIUSA-N 2 1 248.370 2.106 20 0 BEADMP C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000415119064 398163181 /nfs/dbraw/zinc/16/31/81/398163181.db2.gz YOQMJUFBZLVJKX-DZGCQCFKSA-N 2 1 247.386 2.134 20 0 BEADMP C[C@@H](CCCc1cccnc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000415119067 398163418 /nfs/dbraw/zinc/16/34/18/398163418.db2.gz YOQMJUFBZLVJKX-ZFWWWQNUSA-N 2 1 247.386 2.134 20 0 BEADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000126928443 178086155 /nfs/dbraw/zinc/08/61/55/178086155.db2.gz PIQNNGBSKFCRMP-DGCLKSJQSA-N 2 1 236.334 2.303 20 0 BEADMP C[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)[C@@H]1C ZINC000380602288 398202246 /nfs/dbraw/zinc/20/22/46/398202246.db2.gz HJGSJNOUCVGFNQ-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH+](C)Cc1cnc(C[NH2+]C2CCCC2)s1 ZINC000336763942 398219781 /nfs/dbraw/zinc/21/97/81/398219781.db2.gz MUCOAPIITQSFOC-UHFFFAOYSA-N 2 1 239.388 2.237 20 0 BEADMP C[C@@H](c1ccncc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386507586 398211042 /nfs/dbraw/zinc/21/10/42/398211042.db2.gz LYQHTXFWGLELIF-AEGPPILISA-N 2 1 245.370 2.074 20 0 BEADMP CC[C@H]1CN(C)c2ccccc2C[N@@H+]1C[C@H](C)[NH3+] ZINC000649414278 398212940 /nfs/dbraw/zinc/21/29/40/398212940.db2.gz PUXZLDXFCYEOHQ-JSGCOSHPSA-N 2 1 247.386 2.064 20 0 BEADMP CC[C@H]1CN(C)c2ccccc2C[N@H+]1C[C@H](C)[NH3+] ZINC000649414278 398212941 /nfs/dbraw/zinc/21/29/41/398212941.db2.gz PUXZLDXFCYEOHQ-JSGCOSHPSA-N 2 1 247.386 2.064 20 0 BEADMP CC[C@H]1CN(C)c2ccccc2C[N@@H+]1C[C@@H](C)[NH3+] ZINC000649414279 398212945 /nfs/dbraw/zinc/21/29/45/398212945.db2.gz PUXZLDXFCYEOHQ-OCCSQVGLSA-N 2 1 247.386 2.064 20 0 BEADMP CC[C@H]1CN(C)c2ccccc2C[N@H+]1C[C@@H](C)[NH3+] ZINC000649414279 398212946 /nfs/dbraw/zinc/21/29/46/398212946.db2.gz PUXZLDXFCYEOHQ-OCCSQVGLSA-N 2 1 247.386 2.064 20 0 BEADMP C[C@@H](C[NH2+]C1CC[NH+](C)CC1)CC(F)(F)F ZINC000396914865 262826503 /nfs/dbraw/zinc/82/65/03/262826503.db2.gz SKVWQZWMLAUTRO-SECBINFHSA-N 2 1 238.297 2.259 20 0 BEADMP Cc1cc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc[nH+]1 ZINC000290737954 178183243 /nfs/dbraw/zinc/18/32/43/178183243.db2.gz GUKZSDXCUSNMJS-DGCLKSJQSA-N 2 1 231.343 2.427 20 0 BEADMP CC[C@@H](C)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000421380148 192324695 /nfs/dbraw/zinc/32/46/95/192324695.db2.gz LSHQELXAOHEYRP-LLVKDONJSA-N 2 1 221.348 2.283 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000336713144 168352205 /nfs/dbraw/zinc/35/22/05/168352205.db2.gz VJPYILLMAYXVGC-QWHCGFSZSA-N 2 1 210.365 2.106 20 0 BEADMP CCC(CC)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000374903464 168352620 /nfs/dbraw/zinc/35/26/20/168352620.db2.gz PYRFQYSTDMXABJ-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP CCC(CC)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000374903464 168352621 /nfs/dbraw/zinc/35/26/21/168352621.db2.gz PYRFQYSTDMXABJ-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP CCC(CC)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000374903464 168352624 /nfs/dbraw/zinc/35/26/24/168352624.db2.gz PYRFQYSTDMXABJ-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP CCC(CC)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000374903464 168352625 /nfs/dbraw/zinc/35/26/25/168352625.db2.gz PYRFQYSTDMXABJ-UONOGXRCSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000187707540 259304160 /nfs/dbraw/zinc/30/41/60/259304160.db2.gz SUOIYUUXAWCDRU-QWHCGFSZSA-N 2 1 212.381 2.449 20 0 BEADMP CCC[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000187707540 259304162 /nfs/dbraw/zinc/30/41/62/259304162.db2.gz SUOIYUUXAWCDRU-QWHCGFSZSA-N 2 1 212.381 2.449 20 0 BEADMP CCC[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000187707540 259304164 /nfs/dbraw/zinc/30/41/64/259304164.db2.gz SUOIYUUXAWCDRU-QWHCGFSZSA-N 2 1 212.381 2.449 20 0 BEADMP Cc1cc([C@H](C)[NH2+]C2CC[NH2+]CC2)c(C)o1 ZINC000044730018 178244969 /nfs/dbraw/zinc/24/49/69/178244969.db2.gz QWRMCBXUDRLEEF-JTQLQIEISA-N 2 1 222.332 2.299 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000252788804 136227188 /nfs/dbraw/zinc/22/71/88/136227188.db2.gz XINJRGVYNJBMMG-WFASDCNBSA-N 2 1 232.371 2.418 20 0 BEADMP Cc1cc(C)c(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1C ZINC000235683701 398250544 /nfs/dbraw/zinc/25/05/44/398250544.db2.gz AAVRBUQDCBTXEC-ZFWWWQNUSA-N 2 1 232.371 2.391 20 0 BEADMP Cc1cc(C)c(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1C ZINC000235683701 398250548 /nfs/dbraw/zinc/25/05/48/398250548.db2.gz AAVRBUQDCBTXEC-ZFWWWQNUSA-N 2 1 232.371 2.391 20 0 BEADMP Cn1cncc1C[NH2+]Cc1sccc1Cl ZINC000289771088 538946089 /nfs/dbraw/zinc/94/60/89/538946089.db2.gz ITTNHUAGWVKIKI-UHFFFAOYSA-N 2 1 241.747 2.425 20 0 BEADMP CC(C)(C)CC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000381594231 398265484 /nfs/dbraw/zinc/26/54/84/398265484.db2.gz KWDZMNXDFXDITP-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)(C)CC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000381594231 398265487 /nfs/dbraw/zinc/26/54/87/398265487.db2.gz KWDZMNXDFXDITP-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP CCC(CC)[N@@H+](CCOC)CC1CC[NH2+]CC1 ZINC000042681738 168373984 /nfs/dbraw/zinc/37/39/84/168373984.db2.gz GRMCOZVOBBFUGY-UHFFFAOYSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000393529037 259314596 /nfs/dbraw/zinc/31/45/96/259314596.db2.gz VNTJYJUWWWZKQF-DHGKCCLASA-N 2 1 224.392 2.493 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624124195 346854727 /nfs/dbraw/zinc/85/47/27/346854727.db2.gz ZSSHLMDDESGQDW-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000162235280 349615791 /nfs/dbraw/zinc/61/57/91/349615791.db2.gz LMXLKTUWRRAEDZ-OKILXGFUSA-N 2 1 233.359 2.314 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000162235280 349615794 /nfs/dbraw/zinc/61/57/94/349615794.db2.gz LMXLKTUWRRAEDZ-OKILXGFUSA-N 2 1 233.359 2.314 20 0 BEADMP Cc1ccc(CNC[C@H]2CCCC[N@H+](C)C2)o1 ZINC000623654524 398279996 /nfs/dbraw/zinc/27/99/96/398279996.db2.gz BJMHIZXADHWSSQ-CYBMUJFWSA-N 2 1 236.359 2.410 20 0 BEADMP Cc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)o1 ZINC000623654524 398279999 /nfs/dbraw/zinc/27/99/99/398279999.db2.gz BJMHIZXADHWSSQ-CYBMUJFWSA-N 2 1 236.359 2.410 20 0 BEADMP Cc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)o1 ZINC000623654524 398280002 /nfs/dbraw/zinc/28/00/02/398280002.db2.gz BJMHIZXADHWSSQ-CYBMUJFWSA-N 2 1 236.359 2.410 20 0 BEADMP C[NH2+]CC[N@H+](C)C[C@@H]1CCCC(C)(C)C1 ZINC000309646712 342775449 /nfs/dbraw/zinc/77/54/49/342775449.db2.gz QQKCEXWZYDUJMJ-GFCCVEGCSA-N 2 1 212.381 2.354 20 0 BEADMP C[NH2+]CC[N@@H+](C)C[C@@H]1CCCC(C)(C)C1 ZINC000309646712 342775450 /nfs/dbraw/zinc/77/54/50/342775450.db2.gz QQKCEXWZYDUJMJ-GFCCVEGCSA-N 2 1 212.381 2.354 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@H]1C[C@H]1C ZINC000321136984 342751192 /nfs/dbraw/zinc/75/11/92/342751192.db2.gz URTIDVHFBVBIRZ-RFGFWPKPSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000382309831 361895105 /nfs/dbraw/zinc/89/51/05/361895105.db2.gz ICPILYPPTRBBKM-SDDRHHMPSA-N 2 1 246.345 2.481 20 0 BEADMP C[NH+](C)C(C)(C)C[NH2+]C[C@]1(C)CCCS1 ZINC000382305954 361896483 /nfs/dbraw/zinc/89/64/83/361896483.db2.gz OTXHVJBFFVYPOU-LBPRGKRZSA-N 2 1 230.421 2.202 20 0 BEADMP C[NH+](C)C(C)(C)C[NH2+]C[C@@]1(C)CCCS1 ZINC000382305953 361897062 /nfs/dbraw/zinc/89/70/62/361897062.db2.gz OTXHVJBFFVYPOU-GFCCVEGCSA-N 2 1 230.421 2.202 20 0 BEADMP CC(C)=CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000188455961 538978712 /nfs/dbraw/zinc/97/87/12/538978712.db2.gz KNSGBVISOHONSM-QWHCGFSZSA-N 2 1 208.349 2.169 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(O)cc2)C1 ZINC000040620671 538972132 /nfs/dbraw/zinc/97/21/32/538972132.db2.gz YVJUKIXQTHFUDQ-AWEZNQCLSA-N 2 1 248.370 2.212 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(O)cc2)C1 ZINC000040620668 538972447 /nfs/dbraw/zinc/97/24/47/538972447.db2.gz YVJUKIXQTHFUDQ-CQSZACIVSA-N 2 1 248.370 2.212 20 0 BEADMP C[C@@H]([N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1)C1(C)CC1 ZINC000385481904 342805196 /nfs/dbraw/zinc/80/51/96/342805196.db2.gz YUGXCMWLKUZVIN-UPJWGTAASA-N 2 1 224.392 2.495 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]C(C(C)C)C(C)C ZINC000380819315 538993082 /nfs/dbraw/zinc/99/30/82/538993082.db2.gz LWYNNVKELPJQIF-UHFFFAOYSA-N 2 1 223.364 2.462 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(F)(F)C2)CC[N@@H+]1C ZINC000390158569 539020340 /nfs/dbraw/zinc/02/03/40/539020340.db2.gz YGAAPLGFNXEQOO-VWYCJHECSA-N 2 1 232.318 2.247 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(F)(F)C2)CC[N@H+]1C ZINC000390158569 539020341 /nfs/dbraw/zinc/02/03/41/539020341.db2.gz YGAAPLGFNXEQOO-VWYCJHECSA-N 2 1 232.318 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(F)(F)C2)CC[N@@H+]1C ZINC000390158567 539020391 /nfs/dbraw/zinc/02/03/91/539020391.db2.gz YGAAPLGFNXEQOO-MXWKQRLJSA-N 2 1 232.318 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(F)(F)C2)CC[N@H+]1C ZINC000390158567 539020392 /nfs/dbraw/zinc/02/03/92/539020392.db2.gz YGAAPLGFNXEQOO-MXWKQRLJSA-N 2 1 232.318 2.247 20 0 BEADMP C/C=C/C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000624199679 342843347 /nfs/dbraw/zinc/84/33/47/342843347.db2.gz VLZLVMVKNOOHOW-PZQWPYDESA-N 2 1 208.349 2.025 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+](C)C2CCCCC2)CN1 ZINC000062948528 539017369 /nfs/dbraw/zinc/01/73/69/539017369.db2.gz CPSPBZDFXOPRSP-YPMHNXCESA-N 2 1 210.365 2.391 20 0 BEADMP CC(C)[N@@H+](CC1CC1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000232637889 342867845 /nfs/dbraw/zinc/86/78/45/342867845.db2.gz KLMGDXXPIXYCHO-GXTWGEPZSA-N 2 1 224.392 2.495 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CCC2(C)C)CC1 ZINC000308786335 342871370 /nfs/dbraw/zinc/87/13/70/342871370.db2.gz FSXPCLZVPVQAOZ-LBPRGKRZSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000308895793 342891132 /nfs/dbraw/zinc/89/11/32/342891132.db2.gz ZGLGRXZXFVQRRJ-RYUDHWBXSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000308895793 342891133 /nfs/dbraw/zinc/89/11/33/342891133.db2.gz ZGLGRXZXFVQRRJ-RYUDHWBXSA-N 2 1 212.381 2.493 20 0 BEADMP CSC[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000162308474 349635695 /nfs/dbraw/zinc/63/56/95/349635695.db2.gz ARGGKVNYOWZTOQ-QWHCGFSZSA-N 2 1 242.432 2.298 20 0 BEADMP CSC[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000162308474 349635696 /nfs/dbraw/zinc/63/56/96/349635696.db2.gz ARGGKVNYOWZTOQ-QWHCGFSZSA-N 2 1 242.432 2.298 20 0 BEADMP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C1CC1 ZINC000036908631 342913909 /nfs/dbraw/zinc/91/39/09/342913909.db2.gz WUSBWJKUCHKNBM-DCQANWLSSA-N 2 1 210.365 2.103 20 0 BEADMP CC1(C)COC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000313054178 259330246 /nfs/dbraw/zinc/33/02/46/259330246.db2.gz HQVDZAPEYVMUPO-IHRRRGAJSA-N 2 1 246.354 2.146 20 0 BEADMP Cc1cc(NCC(C)(C)C[NH+](C)C)nc(C)[nH+]1 ZINC000037498431 398329838 /nfs/dbraw/zinc/32/98/38/398329838.db2.gz SFOIWUYNOVLMSW-UHFFFAOYSA-N 2 1 236.363 2.093 20 0 BEADMP CC(C)C[C@@H]([NH2+]CCN)c1ccccc1 ZINC000037712449 342943925 /nfs/dbraw/zinc/94/39/25/342943925.db2.gz IQICNPNKJSUMDG-CYBMUJFWSA-N 2 1 206.333 2.322 20 0 BEADMP CC(C)C[C@@H]([NH2+]CC[NH3+])c1ccccc1 ZINC000037712449 342943926 /nfs/dbraw/zinc/94/39/26/342943926.db2.gz IQICNPNKJSUMDG-CYBMUJFWSA-N 2 1 206.333 2.322 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000516926583 259334321 /nfs/dbraw/zinc/33/43/21/259334321.db2.gz HQMSDSSWVXQXIP-LPWJVIDDSA-N 2 1 228.355 2.197 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000516926583 259334322 /nfs/dbraw/zinc/33/43/22/259334322.db2.gz HQMSDSSWVXQXIP-LPWJVIDDSA-N 2 1 228.355 2.197 20 0 BEADMP CC[NH+](CC)CCC[NH2+]Cc1cccc(O)c1 ZINC000019943260 342963932 /nfs/dbraw/zinc/96/39/32/342963932.db2.gz ORZIJSHQYANKHL-UHFFFAOYSA-N 2 1 236.359 2.214 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000351856986 136258476 /nfs/dbraw/zinc/25/84/76/136258476.db2.gz AHWCYIIWZQIXEX-WBIUFABUSA-N 2 1 248.345 2.482 20 0 BEADMP CC(C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134918963 343002829 /nfs/dbraw/zinc/00/28/29/343002829.db2.gz WETHOZHNAZOARE-OCCSQVGLSA-N 2 1 222.376 2.344 20 0 BEADMP CC(C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134918963 343002830 /nfs/dbraw/zinc/00/28/30/343002830.db2.gz WETHOZHNAZOARE-OCCSQVGLSA-N 2 1 222.376 2.344 20 0 BEADMP CC(C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134918963 343002831 /nfs/dbraw/zinc/00/28/31/343002831.db2.gz WETHOZHNAZOARE-OCCSQVGLSA-N 2 1 222.376 2.344 20 0 BEADMP CC(C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134918963 343002832 /nfs/dbraw/zinc/00/28/32/343002832.db2.gz WETHOZHNAZOARE-OCCSQVGLSA-N 2 1 222.376 2.344 20 0 BEADMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000044535122 343008916 /nfs/dbraw/zinc/00/89/16/343008916.db2.gz PGJMMWNAQDBFPD-OAHLLOKOSA-N 2 1 232.371 2.426 20 0 BEADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1CC1(C)C ZINC000401671995 529608602 /nfs/dbraw/zinc/60/86/02/529608602.db2.gz LZDLJGUGAJEWSE-OLZOCXBDSA-N 2 1 235.375 2.377 20 0 BEADMP C[C@@H]1C[N@H+](CCn2ccnc2)C[C@H](C)C1(F)F ZINC000625656199 344025765 /nfs/dbraw/zinc/02/57/65/344025765.db2.gz ZVPZDRNEFVWLLQ-PHIMTYICSA-N 2 1 243.301 2.106 20 0 BEADMP CC[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000038098011 343063919 /nfs/dbraw/zinc/06/39/19/343063919.db2.gz JCJGIRBUXZFRFE-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224190007 259345476 /nfs/dbraw/zinc/34/54/76/259345476.db2.gz FILYVAHYYKAPHM-REWJHTLYSA-N 2 1 240.391 2.016 20 0 BEADMP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224190007 259345478 /nfs/dbraw/zinc/34/54/78/259345478.db2.gz FILYVAHYYKAPHM-REWJHTLYSA-N 2 1 240.391 2.016 20 0 BEADMP Cc1cnc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])s1 ZINC000235926499 343067378 /nfs/dbraw/zinc/06/73/78/343067378.db2.gz ZFBWKDPVPLQTET-WDEREUQCSA-N 2 1 239.388 2.059 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C2CCCC2)C1 ZINC000120109272 343108711 /nfs/dbraw/zinc/10/87/11/343108711.db2.gz FEGZLYWWVUJZLL-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000120109272 343108712 /nfs/dbraw/zinc/10/87/12/343108712.db2.gz FEGZLYWWVUJZLL-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000120109272 343108713 /nfs/dbraw/zinc/10/87/13/343108713.db2.gz FEGZLYWWVUJZLL-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP C[NH2+]C[C@@H](C)CNc1[nH+]ccc2cc(F)ccc21 ZINC000576876659 365711929 /nfs/dbraw/zinc/71/19/29/365711929.db2.gz UFOOMIQAENQUPO-SNVBAGLBSA-N 2 1 247.317 2.063 20 0 BEADMP CC[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000251613279 343125307 /nfs/dbraw/zinc/12/53/07/343125307.db2.gz DQMJOFRFMSIZNX-OLZOCXBDSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000129591936 343177746 /nfs/dbraw/zinc/17/77/46/343177746.db2.gz ZZRIWWYEJQGLGE-WBMJQRKESA-N 2 1 244.382 2.084 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000129591936 343177747 /nfs/dbraw/zinc/17/77/47/343177747.db2.gz ZZRIWWYEJQGLGE-WBMJQRKESA-N 2 1 244.382 2.084 20 0 BEADMP CC(C)[N@H+](Cc1ccccn1)CC1CC[NH2+]CC1 ZINC000094021165 343152505 /nfs/dbraw/zinc/15/25/05/343152505.db2.gz AZSLTBXLYVTGCZ-UHFFFAOYSA-N 2 1 247.386 2.292 20 0 BEADMP CCc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)s1 ZINC000126775496 343171494 /nfs/dbraw/zinc/17/14/94/343171494.db2.gz ZVZJRIJMNSQSRI-WDEREUQCSA-N 2 1 238.400 2.480 20 0 BEADMP Cc1ccc(C[NH+]2CCC([NH3+])CC2)cc1F ZINC000082503737 136276634 /nfs/dbraw/zinc/27/66/34/136276634.db2.gz VITPZUWBMDCNME-UHFFFAOYSA-N 2 1 222.307 2.057 20 0 BEADMP Cc1ccoc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000135166628 343192872 /nfs/dbraw/zinc/19/28/72/343192872.db2.gz PSOWUUOFFLXPII-CYBMUJFWSA-N 2 1 236.359 2.408 20 0 BEADMP Cc1ccoc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000135166628 343192874 /nfs/dbraw/zinc/19/28/74/343192874.db2.gz PSOWUUOFFLXPII-CYBMUJFWSA-N 2 1 236.359 2.408 20 0 BEADMP CCC[C@H](C)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626589 343286043 /nfs/dbraw/zinc/28/60/43/343286043.db2.gz QWLXGMQOWMZGIR-QWHCGFSZSA-N 2 1 212.381 2.483 20 0 BEADMP CCC(C)(C)[N@@H+](C)C[C@H](N)CC(C)C ZINC000069015563 343256801 /nfs/dbraw/zinc/25/68/01/343256801.db2.gz YUIQLUVQRVLCPZ-LLVKDONJSA-N 2 1 200.370 2.480 20 0 BEADMP CCC(C)(C)N(C)C[C@H]([NH3+])CC(C)C ZINC000069015563 343256802 /nfs/dbraw/zinc/25/68/02/343256802.db2.gz YUIQLUVQRVLCPZ-LLVKDONJSA-N 2 1 200.370 2.480 20 0 BEADMP CCC(CC)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000069724636 343290019 /nfs/dbraw/zinc/29/00/19/343290019.db2.gz VUYFQPMJLFLXLU-DGCLKSJQSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCOc1ccccc1 ZINC000052092378 343300488 /nfs/dbraw/zinc/30/04/88/343300488.db2.gz PNKMOBPFELNHOS-KBPBESRZSA-N 2 1 248.370 2.267 20 0 BEADMP CCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)C(C)(C)C ZINC000584061424 343309912 /nfs/dbraw/zinc/30/99/12/343309912.db2.gz KUHSWGITAFUXMT-STQMWFEESA-N 2 1 244.423 2.103 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCSC2)C[C@@H]1C[NH3+] ZINC000397252916 323043139 /nfs/dbraw/zinc/04/31/39/323043139.db2.gz DHOZJYSHRXSKHC-VOAKCMCISA-N 2 1 242.432 2.045 20 0 BEADMP Cc1ccc(CNC[C@H]2CC[N@H+](C3CC3)C2)o1 ZINC000037408313 343344726 /nfs/dbraw/zinc/34/47/26/343344726.db2.gz MSGRZRWQQGXTLQ-GFCCVEGCSA-N 2 1 234.343 2.162 20 0 BEADMP Cc1ccc(F)c(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000335641178 136308422 /nfs/dbraw/zinc/30/84/22/136308422.db2.gz SHIFKAUZEXAGGL-AAEUAGOBSA-N 2 1 236.334 2.364 20 0 BEADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H]1CCCOC1 ZINC000349408854 136344930 /nfs/dbraw/zinc/34/49/30/136344930.db2.gz QPIDLYSRRJTURI-AWEZNQCLSA-N 2 1 242.407 2.077 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccon1 ZINC000349247679 136332935 /nfs/dbraw/zinc/33/29/35/136332935.db2.gz UVSCEIYEKWTTTP-LLVKDONJSA-N 2 1 248.330 2.311 20 0 BEADMP Cc1ccc(C)c(C[N@@H+](C)CC(C)(C)[NH3+])c1 ZINC000258737631 136373815 /nfs/dbraw/zinc/37/38/15/136373815.db2.gz FODWJXYNFQJBAY-UHFFFAOYSA-N 2 1 220.360 2.473 20 0 BEADMP Cc1ccc(C)c(C[N@H+](C)CC(C)(C)[NH3+])c1 ZINC000258737631 136373816 /nfs/dbraw/zinc/37/38/16/136373816.db2.gz FODWJXYNFQJBAY-UHFFFAOYSA-N 2 1 220.360 2.473 20 0 BEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCC1CCC1 ZINC000398626327 488220792 /nfs/dbraw/zinc/22/07/92/488220792.db2.gz HXPHVHJFWXJSAG-CYBMUJFWSA-N 2 1 210.365 2.380 20 0 BEADMP CC(C)[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000084126113 343522371 /nfs/dbraw/zinc/52/23/71/343522371.db2.gz ZHCBZNDBNUMBLH-ZDUSSCGKSA-N 2 1 210.365 2.106 20 0 BEADMP CCc1nc(NC[C@H]2CCC[N@H+](C)C2)cc(C)[nH+]1 ZINC000310761757 343568080 /nfs/dbraw/zinc/56/80/80/343568080.db2.gz LJRJGBKAAMUYCF-GFCCVEGCSA-N 2 1 248.374 2.101 20 0 BEADMP CCc1nc(NC[C@H]2CCC[N@@H+](C)C2)cc(C)[nH+]1 ZINC000310761757 343568082 /nfs/dbraw/zinc/56/80/82/343568082.db2.gz LJRJGBKAAMUYCF-GFCCVEGCSA-N 2 1 248.374 2.101 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+]CC2(C)CC2)C1 ZINC000379974363 365770411 /nfs/dbraw/zinc/77/04/11/365770411.db2.gz CTADPKYEGWMQNE-LBPRGKRZSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000049551802 343601679 /nfs/dbraw/zinc/60/16/79/343601679.db2.gz XBJOQDNULBSRLW-JTQLQIEISA-N 2 1 242.313 2.395 20 0 BEADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(F)cc1 ZINC000049551700 343601830 /nfs/dbraw/zinc/60/18/30/343601830.db2.gz DLPMBPVFQASMMS-LLVKDONJSA-N 2 1 224.323 2.256 20 0 BEADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cccnc1 ZINC000049553112 343602135 /nfs/dbraw/zinc/60/21/35/343602135.db2.gz VTQALOVWZGRWNT-VXGBXAGGSA-N 2 1 221.348 2.072 20 0 BEADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000049553270 343602564 /nfs/dbraw/zinc/60/25/64/343602564.db2.gz FHFNWJOBFRHBGR-VXGBXAGGSA-N 2 1 236.359 2.383 20 0 BEADMP C(C[NH2+]C1CCCCC1)C[NH+]1CCSCC1 ZINC000053498963 1172033893 /nfs/dbraw/zinc/03/38/93/1172033893.db2.gz XHAUXPVDLRCFQR-UHFFFAOYSA-N 2 1 242.432 2.348 20 0 BEADMP CC(C)[NH2+][C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC000083912955 343684179 /nfs/dbraw/zinc/68/41/79/343684179.db2.gz GAUJAKZXLDCRCW-CYBMUJFWSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC000083912955 343684182 /nfs/dbraw/zinc/68/41/82/343684182.db2.gz GAUJAKZXLDCRCW-CYBMUJFWSA-N 2 1 210.365 2.249 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C2CCCC2)[C@@H](C)C1 ZINC000221695031 346962999 /nfs/dbraw/zinc/96/29/99/346962999.db2.gz OOYRDELLAVVNMI-AAEUAGOBSA-N 2 1 210.365 2.249 20 0 BEADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000090219468 343750024 /nfs/dbraw/zinc/75/00/24/343750024.db2.gz OAQAORWHXKEUOQ-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000625450602 343777903 /nfs/dbraw/zinc/77/79/03/343777903.db2.gz QNIJEONGNVVCGL-MGPQQGTHSA-N 2 1 222.376 2.060 20 0 BEADMP CC(C)[C@@H]1CC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336665061 537817791 /nfs/dbraw/zinc/81/77/91/537817791.db2.gz LKBNVBQAPVKWGX-UONOGXRCSA-N 2 1 222.376 2.273 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000336678196 537823143 /nfs/dbraw/zinc/82/31/43/537823143.db2.gz CGYLRNPJLZDDEU-ZIAGYGMSSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000336678196 537823148 /nfs/dbraw/zinc/82/31/48/537823148.db2.gz CGYLRNPJLZDDEU-ZIAGYGMSSA-N 2 1 224.392 2.497 20 0 BEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H]1CCC1(C)C ZINC000336707806 537829467 /nfs/dbraw/zinc/82/94/67/537829467.db2.gz RXVZRDDFBLHKFJ-NEPJUHHUSA-N 2 1 212.381 2.495 20 0 BEADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000621777907 343903590 /nfs/dbraw/zinc/90/35/90/343903590.db2.gz IOPNTWHDPAVJLJ-HZPDHXFCSA-N 2 1 244.382 2.432 20 0 BEADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccco1 ZINC000566004147 343975120 /nfs/dbraw/zinc/97/51/20/343975120.db2.gz YCKAQYVMNOIGGV-LLVKDONJSA-N 2 1 210.321 2.318 20 0 BEADMP C[N@@H+](C[C@@H]1CCSC1)C[C@H]1CCC[NH+](C)C1 ZINC000495060199 529956994 /nfs/dbraw/zinc/95/69/94/529956994.db2.gz PZLZHIVKCRPXJB-STQMWFEESA-N 2 1 242.432 2.013 20 0 BEADMP C[NH+](C[C@@H]1CCSC1)C[C@H]1CCC[N@H+](C)C1 ZINC000495060199 529956995 /nfs/dbraw/zinc/95/69/95/529956995.db2.gz PZLZHIVKCRPXJB-STQMWFEESA-N 2 1 242.432 2.013 20 0 BEADMP C[NH+](C[C@@H]1CCSC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000495060199 529956996 /nfs/dbraw/zinc/95/69/96/529956996.db2.gz PZLZHIVKCRPXJB-STQMWFEESA-N 2 1 242.432 2.013 20 0 BEADMP C[NH+]1CCC([NH2+]CCCC(F)(F)F)CC1 ZINC000131826130 344236837 /nfs/dbraw/zinc/23/68/37/344236837.db2.gz SKRMDTWVNMLOCO-UHFFFAOYSA-N 2 1 224.270 2.013 20 0 BEADMP CC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000132242150 344289920 /nfs/dbraw/zinc/28/99/20/344289920.db2.gz RPTZXAJZMPXLAZ-DGCLKSJQSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1C[C@@H](N)C[N@@H+]1CCCOCc1ccccc1 ZINC000385069945 344314453 /nfs/dbraw/zinc/31/44/53/344314453.db2.gz HLUONAXBUJHOGW-UKRRQHHQSA-N 2 1 248.370 2.015 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCCOCc1ccccc1 ZINC000385069945 344314458 /nfs/dbraw/zinc/31/44/58/344314458.db2.gz HLUONAXBUJHOGW-UKRRQHHQSA-N 2 1 248.370 2.015 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCCOCc1ccccc1 ZINC000385069945 344314460 /nfs/dbraw/zinc/31/44/60/344314460.db2.gz HLUONAXBUJHOGW-UKRRQHHQSA-N 2 1 248.370 2.015 20 0 BEADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCC[NH3+] ZINC000133206146 344315514 /nfs/dbraw/zinc/31/55/14/344315514.db2.gz MKRVAEDYEGLLSI-SNVBAGLBSA-N 2 1 210.296 2.167 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC1CCCC1 ZINC000133307690 344317694 /nfs/dbraw/zinc/31/76/94/344317694.db2.gz KJKONOVXQWRLKX-ZDUSSCGKSA-N 2 1 212.381 2.482 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000387729682 347047115 /nfs/dbraw/zinc/04/71/15/347047115.db2.gz RSAZZNODOKKJFZ-QNWHQSFQSA-N 2 1 210.365 2.105 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000387729683 347047188 /nfs/dbraw/zinc/04/71/88/347047188.db2.gz RSAZZNODOKKJFZ-RNJOBUHISA-N 2 1 210.365 2.105 20 0 BEADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCC1CCCCC1 ZINC000385145749 344356096 /nfs/dbraw/zinc/35/60/96/344356096.db2.gz NYLXBQFJSFWFEM-AAEUAGOBSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCC1CCCCC1 ZINC000385145749 344356098 /nfs/dbraw/zinc/35/60/98/344356098.db2.gz NYLXBQFJSFWFEM-AAEUAGOBSA-N 2 1 210.365 2.378 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@H+](CC(C)(C)C)C2)C1 ZINC000145268113 344356540 /nfs/dbraw/zinc/35/65/40/344356540.db2.gz SCIHQICGGGREFL-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP C[NH+]1CC[C@]2(CC[N@@H+](CC(C)(C)C)C2)C1 ZINC000145268113 344356542 /nfs/dbraw/zinc/35/65/42/344356542.db2.gz SCIHQICGGGREFL-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCCc1ccccc1 ZINC000385167455 344357064 /nfs/dbraw/zinc/35/70/64/344357064.db2.gz DRHPSNXCCFRFPR-GXTWGEPZSA-N 2 1 218.344 2.041 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCCc1ccccc1 ZINC000385167455 344357067 /nfs/dbraw/zinc/35/70/67/344357067.db2.gz DRHPSNXCCFRFPR-GXTWGEPZSA-N 2 1 218.344 2.041 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C(C)C)C1CC1 ZINC000381258204 344309880 /nfs/dbraw/zinc/30/98/80/344309880.db2.gz RINUEKQTEQRVEP-ZDUSSCGKSA-N 2 1 221.348 2.216 20 0 BEADMP Cc1cc(N[C@H]2CC[NH2+]CC(C)(C)C2)nc(C)[nH+]1 ZINC000634813592 344399207 /nfs/dbraw/zinc/39/92/07/344399207.db2.gz QOCIVSJXFNJAHB-LBPRGKRZSA-N 2 1 248.374 2.284 20 0 BEADMP CC(C)=CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158649510 344707227 /nfs/dbraw/zinc/70/72/27/344707227.db2.gz KZTPLPXCGNGXHF-ZIAGYGMSSA-N 2 1 222.376 2.369 20 0 BEADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158649510 344707230 /nfs/dbraw/zinc/70/72/30/344707230.db2.gz KZTPLPXCGNGXHF-ZIAGYGMSSA-N 2 1 222.376 2.369 20 0 BEADMP CS[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000166520460 344918007 /nfs/dbraw/zinc/91/80/07/344918007.db2.gz YTXPYXQDPBLNAI-CHWSQXEVSA-N 2 1 242.432 2.344 20 0 BEADMP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153764169 344969849 /nfs/dbraw/zinc/96/98/49/344969849.db2.gz WICISGAFBMOMTM-RYUDHWBXSA-N 2 1 210.365 2.391 20 0 BEADMP CC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000153764169 344969850 /nfs/dbraw/zinc/96/98/50/344969850.db2.gz WICISGAFBMOMTM-RYUDHWBXSA-N 2 1 210.365 2.391 20 0 BEADMP CC(C)=CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249518016 537878949 /nfs/dbraw/zinc/87/89/49/537878949.db2.gz KNSGBVISOHONSM-OLZOCXBDSA-N 2 1 208.349 2.169 20 0 BEADMP CC1CC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000166620606 344944373 /nfs/dbraw/zinc/94/43/73/344944373.db2.gz HRGJMPKAKPWADA-IFWUJCSASA-N 2 1 208.349 2.001 20 0 BEADMP CC1CC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000166620606 344944375 /nfs/dbraw/zinc/94/43/75/344944375.db2.gz HRGJMPKAKPWADA-IFWUJCSASA-N 2 1 208.349 2.001 20 0 BEADMP CCCC[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000050888119 345017624 /nfs/dbraw/zinc/01/76/24/345017624.db2.gz NRJFAMGQFZIFRR-LLVKDONJSA-N 2 1 209.337 2.360 20 0 BEADMP C[C@@H](c1cccs1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000248089930 345036939 /nfs/dbraw/zinc/03/69/39/345036939.db2.gz UWQCPGDFYYIQES-QWRGUYRKSA-N 2 1 224.373 2.350 20 0 BEADMP CC(C)[C@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000319025529 259382190 /nfs/dbraw/zinc/38/21/90/259382190.db2.gz ROVLZXVBHGAUGM-ZDUSSCGKSA-N 2 1 235.375 2.195 20 0 BEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC1 ZINC000250677954 192369847 /nfs/dbraw/zinc/36/98/47/192369847.db2.gz XBZMINNYVZZJGS-STQMWFEESA-N 2 1 208.349 2.003 20 0 BEADMP CC(C)[C@@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000319044191 259382601 /nfs/dbraw/zinc/38/26/01/259382601.db2.gz USANLOIWUVGKLJ-VXGBXAGGSA-N 2 1 212.381 2.399 20 0 BEADMP C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993398 345190379 /nfs/dbraw/zinc/19/03/79/345190379.db2.gz SZDBDWLWLYZWFG-HNBOJAAESA-N 2 1 234.387 2.391 20 0 BEADMP C[C@@H]1CC2(CCC2)C[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634995190 345183817 /nfs/dbraw/zinc/18/38/17/345183817.db2.gz XVZWEWWRTCMDKL-LKSINWNRSA-N 2 1 220.360 2.003 20 0 BEADMP C1=CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000156129879 345130143 /nfs/dbraw/zinc/13/01/43/345130143.db2.gz BDPAISBURWTYQS-BFHYXJOUSA-N 2 1 220.360 2.312 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCS2)CC[N@H+]1C ZINC000156157724 345133700 /nfs/dbraw/zinc/13/37/00/345133700.db2.gz OGCPYAHJXZQHBB-AGIUHOORSA-N 2 1 242.432 2.344 20 0 BEADMP C([N@H+]1CCC2(C1)CCCCC2)C12CC(C1)C[NH2+]2 ZINC000634993095 345188837 /nfs/dbraw/zinc/18/88/37/345188837.db2.gz LAJZTASSMYLPBX-UHFFFAOYSA-N 2 1 234.387 2.395 20 0 BEADMP COc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1C ZINC000634998151 345197057 /nfs/dbraw/zinc/19/70/57/345197057.db2.gz BMDVDFQNAVSIOM-GXTWGEPZSA-N 2 1 248.370 2.030 20 0 BEADMP C[C@H](C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000634998518 345198344 /nfs/dbraw/zinc/19/83/44/345198344.db2.gz GRUJHXNJCMVDAF-VNHYZAJKSA-N 2 1 232.371 2.317 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)o1 ZINC000635011225 345212601 /nfs/dbraw/zinc/21/26/01/345212601.db2.gz YLKVVGXAWRYNIR-GWCFXTLKSA-N 2 1 222.332 2.066 20 0 BEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000635014126 345219001 /nfs/dbraw/zinc/21/90/01/345219001.db2.gz YHDFANGYTKGZDA-ZYUZMQFOSA-N 2 1 236.281 2.187 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]CCCC(C)C)C1 ZINC000162089318 345260438 /nfs/dbraw/zinc/26/04/38/345260438.db2.gz IWNCHVWOEANBIM-CYBMUJFWSA-N 2 1 212.381 2.354 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C)[C@@H](C)C1 ZINC000246893625 345276714 /nfs/dbraw/zinc/27/67/14/345276714.db2.gz FMWNDGYPTPCJLG-RYUDHWBXSA-N 2 1 212.381 2.352 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000380182159 345295459 /nfs/dbraw/zinc/29/54/59/345295459.db2.gz GFJVJBADYYYHHX-RWMBFGLXSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000380182159 345295460 /nfs/dbraw/zinc/29/54/60/345295460.db2.gz GFJVJBADYYYHHX-RWMBFGLXSA-N 2 1 212.381 2.493 20 0 BEADMP CCOC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000159172179 345413520 /nfs/dbraw/zinc/41/35/20/345413520.db2.gz YATGETYOJXOGMW-RWMBFGLXSA-N 2 1 242.407 2.120 20 0 BEADMP Cc1cc(C)cc(C[N@@H+](C)[C@@H](C[NH3+])C2CC2)c1 ZINC000159734362 345506898 /nfs/dbraw/zinc/50/68/98/345506898.db2.gz CLXSCNFVUFDFIH-HNNXBMFYSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1cc(C)cc(C[N@H+](C)[C@@H](C[NH3+])C2CC2)c1 ZINC000159734362 345506900 /nfs/dbraw/zinc/50/69/00/345506900.db2.gz CLXSCNFVUFDFIH-HNNXBMFYSA-N 2 1 232.371 2.473 20 0 BEADMP CCc1ccc(C[N@H+](C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000159689526 345470723 /nfs/dbraw/zinc/47/07/23/345470723.db2.gz ONIBFRMDRJLTGH-HNNXBMFYSA-N 2 1 232.371 2.418 20 0 BEADMP CCc1ccc(C[N@@H+](C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000159689526 345470725 /nfs/dbraw/zinc/47/07/25/345470725.db2.gz ONIBFRMDRJLTGH-HNNXBMFYSA-N 2 1 232.371 2.418 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000090724228 345575629 /nfs/dbraw/zinc/57/56/29/345575629.db2.gz JWINGNHVDHBKRN-JSGCOSHPSA-N 2 1 236.403 2.497 20 0 BEADMP CCC[N@H+]1CC[C@@H](CNc2cc(C)nc(C)n2)C1 ZINC000091457320 345593040 /nfs/dbraw/zinc/59/30/40/345593040.db2.gz CVCIPQAOHRXKKB-ZDUSSCGKSA-N 2 1 248.374 2.237 20 0 BEADMP CCC[N@@H+]1CC[C@@H](CNc2cc(C)[nH+]c(C)n2)C1 ZINC000091457320 345593044 /nfs/dbraw/zinc/59/30/44/345593044.db2.gz CVCIPQAOHRXKKB-ZDUSSCGKSA-N 2 1 248.374 2.237 20 0 BEADMP CCC[N@H+]1CC[C@@H](CNc2cc(C)[nH+]c(C)n2)C1 ZINC000091457320 345593048 /nfs/dbraw/zinc/59/30/48/345593048.db2.gz CVCIPQAOHRXKKB-ZDUSSCGKSA-N 2 1 248.374 2.237 20 0 BEADMP NCC[NH+]1CCC(CCc2ccccc2)CC1 ZINC000216090235 345743462 /nfs/dbraw/zinc/74/34/62/345743462.db2.gz LSDYOSZPCSEPGO-UHFFFAOYSA-N 2 1 232.371 2.290 20 0 BEADMP CCOc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])CC)cc1 ZINC000231188341 345752097 /nfs/dbraw/zinc/75/20/97/345752097.db2.gz HYIOFUWRKSUPLL-WCQYABFASA-N 2 1 236.359 2.473 20 0 BEADMP CCOc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])CC)cc1 ZINC000231188368 345752207 /nfs/dbraw/zinc/75/22/07/345752207.db2.gz HYIOFUWRKSUPLL-DGCLKSJQSA-N 2 1 236.359 2.473 20 0 BEADMP Cc1ncc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)o1 ZINC000628222539 345956261 /nfs/dbraw/zinc/95/62/61/345956261.db2.gz WGFSNMRDRMWNKW-YHWZYXNKSA-N 2 1 249.358 2.088 20 0 BEADMP Cc1ncc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)o1 ZINC000628222539 345956262 /nfs/dbraw/zinc/95/62/62/345956262.db2.gz WGFSNMRDRMWNKW-YHWZYXNKSA-N 2 1 249.358 2.088 20 0 BEADMP C[C@H]1C[C@H](NCc2cnc(C3CC3)o2)CC[N@H+]1C ZINC000628223410 345964251 /nfs/dbraw/zinc/96/42/51/345964251.db2.gz CYPPSQQJZIHXGW-CMPLNLGQSA-N 2 1 249.358 2.124 20 0 BEADMP CCCC[N@@H+](CC)CC[C@H]1CCC[NH2+]C1 ZINC000051918844 346207455 /nfs/dbraw/zinc/20/74/55/346207455.db2.gz SBKCSPLFWFUIHV-CYBMUJFWSA-N 2 1 212.381 2.498 20 0 BEADMP C[C@@H](CC1CC1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000069662166 349952466 /nfs/dbraw/zinc/95/24/66/349952466.db2.gz UXGRXJAZNSKQMP-AAEUAGOBSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1cccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c1 ZINC000042435907 179065862 /nfs/dbraw/zinc/06/58/62/179065862.db2.gz ZHZUEBQSNRJURV-HNNXBMFYSA-N 2 1 232.371 2.426 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1C ZINC000094338766 179078852 /nfs/dbraw/zinc/07/88/52/179078852.db2.gz NAHHXYBJRFSNQO-IUODEOHRSA-N 2 1 232.371 2.473 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000049712994 179080562 /nfs/dbraw/zinc/08/05/62/179080562.db2.gz BHYVJULQJQUVOV-TZMCWYRMSA-N 2 1 218.344 2.164 20 0 BEADMP Cc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000229060508 179081659 /nfs/dbraw/zinc/08/16/59/179081659.db2.gz PZQZIZURPBSUOU-ZFWWWQNUSA-N 2 1 232.371 2.412 20 0 BEADMP Cc1cccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000228078148 179081813 /nfs/dbraw/zinc/08/18/13/179081813.db2.gz UKQFXGDBFGXMLS-TZMCWYRMSA-N 2 1 218.344 2.164 20 0 BEADMP Cc1cccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1C ZINC000228066882 179083520 /nfs/dbraw/zinc/08/35/20/179083520.db2.gz USOJHFQEAMHYFS-OCCSQVGLSA-N 2 1 232.371 2.473 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000390472146 259390221 /nfs/dbraw/zinc/39/02/21/259390221.db2.gz JOCCUCGXBOIXOO-ZOBORPQBSA-N 2 1 224.392 2.495 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000390472146 259390223 /nfs/dbraw/zinc/39/02/23/259390223.db2.gz JOCCUCGXBOIXOO-ZOBORPQBSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccc(N)c2)[C@H]1C ZINC000641808877 362762456 /nfs/dbraw/zinc/76/24/56/362762456.db2.gz ONGKITOQIXEZCF-XUJVJEKNSA-N 2 1 247.386 2.217 20 0 BEADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccc(N)c2)[C@H]1C ZINC000641808877 362762460 /nfs/dbraw/zinc/76/24/60/362762460.db2.gz ONGKITOQIXEZCF-XUJVJEKNSA-N 2 1 247.386 2.217 20 0 BEADMP C[C@@H]1CCC(C)(C)[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000641801055 362753592 /nfs/dbraw/zinc/75/35/92/362753592.db2.gz LYCMVCPFFJSVAM-VXGBXAGGSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]([NH3+])C[N@@H+]1CCc2ccccc2C1(C)C ZINC000641800916 362753914 /nfs/dbraw/zinc/75/39/14/362753914.db2.gz IOKRKMHDXRLBRN-LLVKDONJSA-N 2 1 218.344 2.127 20 0 BEADMP C[C@@H]([NH3+])C[N@H+]1CCc2ccccc2C1(C)C ZINC000641800916 362753919 /nfs/dbraw/zinc/75/39/19/362753919.db2.gz IOKRKMHDXRLBRN-LLVKDONJSA-N 2 1 218.344 2.127 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@@H+]1CCCOCc1ccccc1 ZINC000203070565 346620299 /nfs/dbraw/zinc/62/02/99/346620299.db2.gz MOIVWJDFZZLFBJ-HNNXBMFYSA-N 2 1 248.370 2.016 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@H+]1CCCOCc1ccccc1 ZINC000203070565 346620301 /nfs/dbraw/zinc/62/03/01/346620301.db2.gz MOIVWJDFZZLFBJ-HNNXBMFYSA-N 2 1 248.370 2.016 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2OC)CC1 ZINC000038098207 346715411 /nfs/dbraw/zinc/71/54/11/346715411.db2.gz PJBUCCHUDCLEEX-ZIAGYGMSSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]1CCC[N@@H+](CCCc2cncn2C)CC1 ZINC000580657636 365852406 /nfs/dbraw/zinc/85/24/06/365852406.db2.gz SYYMLJOOXIUCDL-ZDUSSCGKSA-N 2 1 235.375 2.475 20 0 BEADMP CSc1ccccc1C[N@H+](C)CCC[NH3+] ZINC000382051314 347110668 /nfs/dbraw/zinc/11/06/68/347110668.db2.gz BLWDKQNCNPHQLU-UHFFFAOYSA-N 2 1 224.373 2.189 20 0 BEADMP CSc1ccccc1C[N@@H+](C)CCC[NH3+] ZINC000382051314 347110671 /nfs/dbraw/zinc/11/06/71/347110671.db2.gz BLWDKQNCNPHQLU-UHFFFAOYSA-N 2 1 224.373 2.189 20 0 BEADMP Cc1cccc(OCC[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000163194483 179168470 /nfs/dbraw/zinc/16/84/70/179168470.db2.gz IWDJZXHEHHTUFB-KGLIPLIRSA-N 2 1 248.370 2.043 20 0 BEADMP CCC(C)(C)[C@H](C)[NH2+]CCC[N@@H+](C)CCOC ZINC000582044732 347126162 /nfs/dbraw/zinc/12/61/62/347126162.db2.gz GKEGGHMFVITZCD-ZDUSSCGKSA-N 2 1 244.423 2.369 20 0 BEADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000050245512 179180308 /nfs/dbraw/zinc/18/03/08/179180308.db2.gz UQMWVBRNPKQUTF-CHWSQXEVSA-N 2 1 218.344 2.337 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000336753579 347222180 /nfs/dbraw/zinc/22/21/80/347222180.db2.gz FBGLCNLMODQANJ-KGLIPLIRSA-N 2 1 222.376 2.249 20 0 BEADMP C[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@H](C)C2)C1 ZINC000196818344 347522272 /nfs/dbraw/zinc/52/22/72/347522272.db2.gz QRABICHAEBIDEA-ISANGGDFSA-N 2 1 222.376 2.226 20 0 BEADMP C[C@@H]1CC[N@@H+](C/C=C/C[NH+]2CC[C@H](C)C2)C1 ZINC000196818344 347522276 /nfs/dbraw/zinc/52/22/76/347522276.db2.gz QRABICHAEBIDEA-ISANGGDFSA-N 2 1 222.376 2.226 20 0 BEADMP C[C@@H]1CC[N@H+](C/C=C/C[NH+]2CC[C@H](C)C2)C1 ZINC000196818344 347522280 /nfs/dbraw/zinc/52/22/80/347522280.db2.gz QRABICHAEBIDEA-ISANGGDFSA-N 2 1 222.376 2.226 20 0 BEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(C)(C)C ZINC000227732297 535063899 /nfs/dbraw/zinc/06/38/99/535063899.db2.gz PAHRFDNOWJBWKF-LLVKDONJSA-N 2 1 200.370 2.338 20 0 BEADMP Cc1ccccc1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000042436130 179269986 /nfs/dbraw/zinc/26/99/86/179269986.db2.gz NMLWZEONSPXPAG-CQSZACIVSA-N 2 1 232.371 2.426 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccccc1C ZINC000049330199 179280361 /nfs/dbraw/zinc/28/03/61/179280361.db2.gz QLTVBSDDJQUSKS-UHFFFAOYSA-N 2 1 229.327 2.290 20 0 BEADMP Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000414945623 323152189 /nfs/dbraw/zinc/15/21/89/323152189.db2.gz QTJGHANBILXLHE-OLZOCXBDSA-N 2 1 220.360 2.253 20 0 BEADMP CC[N@@H+](CCSC)CC[C@@H]1CCC[NH+]1C ZINC000592201473 347754000 /nfs/dbraw/zinc/75/40/00/347754000.db2.gz HBOXPSGLBRMVGX-LBPRGKRZSA-N 2 1 230.421 2.156 20 0 BEADMP CC[NH+](CCSC)CC[C@@H]1CCC[N@@H+]1C ZINC000592201473 347754003 /nfs/dbraw/zinc/75/40/03/347754003.db2.gz HBOXPSGLBRMVGX-LBPRGKRZSA-N 2 1 230.421 2.156 20 0 BEADMP CC[NH+](CCSC)CC[C@@H]1CCC[N@H+]1C ZINC000592201473 347754004 /nfs/dbraw/zinc/75/40/04/347754004.db2.gz HBOXPSGLBRMVGX-LBPRGKRZSA-N 2 1 230.421 2.156 20 0 BEADMP CC[N@H+](CCCc1c[nH+]cn1C)CCSC ZINC000594015794 347990007 /nfs/dbraw/zinc/99/00/07/347990007.db2.gz QKAMCSLTQCZFDR-UHFFFAOYSA-N 2 1 241.404 2.038 20 0 BEADMP CC[N@@H+](CCCc1c[nH+]cn1C)CCSC ZINC000594015794 347990010 /nfs/dbraw/zinc/99/00/10/347990010.db2.gz QKAMCSLTQCZFDR-UHFFFAOYSA-N 2 1 241.404 2.038 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CSCCF)C1 ZINC000595010212 348160051 /nfs/dbraw/zinc/16/00/51/348160051.db2.gz IZPGPNKGEUGIND-VXGBXAGGSA-N 2 1 248.411 2.009 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H](C)CSCCF)CC1 ZINC000595004275 348170056 /nfs/dbraw/zinc/17/00/56/348170056.db2.gz OEEFSZZPRGZAAB-LLVKDONJSA-N 2 1 248.411 2.152 20 0 BEADMP C[C@H](CSCCF)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000595025270 348172576 /nfs/dbraw/zinc/17/25/76/348172576.db2.gz KRGLUQBRNHGNIA-WOPDTQHZSA-N 2 1 248.411 2.150 20 0 BEADMP C[C@H](CSCCF)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000595025270 348172579 /nfs/dbraw/zinc/17/25/79/348172579.db2.gz KRGLUQBRNHGNIA-WOPDTQHZSA-N 2 1 248.411 2.150 20 0 BEADMP Cc1cccnc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277070694 179372803 /nfs/dbraw/zinc/37/28/03/179372803.db2.gz DQDPZLFHOOZILZ-CQSZACIVSA-N 2 1 247.386 2.306 20 0 BEADMP Cc1cccnc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277070694 179372804 /nfs/dbraw/zinc/37/28/04/179372804.db2.gz DQDPZLFHOOZILZ-CQSZACIVSA-N 2 1 247.386 2.306 20 0 BEADMP CCSC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000595100235 348195056 /nfs/dbraw/zinc/19/50/56/348195056.db2.gz QDCHLMZEFHPJME-NWDGAFQWSA-N 2 1 242.432 2.344 20 0 BEADMP CCSC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000595100237 348195265 /nfs/dbraw/zinc/19/52/65/348195265.db2.gz QDCHLMZEFHPJME-VXGBXAGGSA-N 2 1 242.432 2.344 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCc2occc21 ZINC000401852661 348203432 /nfs/dbraw/zinc/20/34/32/348203432.db2.gz TZFPEMCFSFBCMM-CYBMUJFWSA-N 2 1 245.326 2.223 20 0 BEADMP Cc1cccnc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161850528 179370528 /nfs/dbraw/zinc/37/05/28/179370528.db2.gz DDHIXXUQFHFKJX-PBWFPOADSA-N 2 1 245.370 2.105 20 0 BEADMP Cc1cccnc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161850528 179370529 /nfs/dbraw/zinc/37/05/29/179370529.db2.gz DDHIXXUQFHFKJX-PBWFPOADSA-N 2 1 245.370 2.105 20 0 BEADMP C[C@H]1CSCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000069762547 490158697 /nfs/dbraw/zinc/15/86/97/490158697.db2.gz RNMVITPPDBEQQL-LBPRGKRZSA-N 2 1 242.432 2.204 20 0 BEADMP CCOC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623502465 362926942 /nfs/dbraw/zinc/92/69/42/362926942.db2.gz KNPOAAFEOFSAJM-LBPRGKRZSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000401891424 348607091 /nfs/dbraw/zinc/60/70/91/348607091.db2.gz XOWLQZICZCUFHO-YRGRVCCFSA-N 2 1 235.375 2.377 20 0 BEADMP Cc1ccc2c(C)cc(NCC[C@@H](C)[NH3+])[nH+]c2c1 ZINC000420153724 192164749 /nfs/dbraw/zinc/16/47/49/192164749.db2.gz HGRBYAVNZQAVGO-GFCCVEGCSA-N 2 1 243.354 2.423 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@@H+](CC2(C)CCC2)C1 ZINC000432829411 192373091 /nfs/dbraw/zinc/37/30/91/192373091.db2.gz PUZAPBOQYQFKAD-GFCCVEGCSA-N 2 1 210.365 2.060 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]C2CC(F)(F)C2)CC1(C)C ZINC000623507341 362931722 /nfs/dbraw/zinc/93/17/22/362931722.db2.gz FOJFKDXMBWXTON-SECBINFHSA-N 2 1 232.318 2.247 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1c1cccs1 ZINC000101429199 348890880 /nfs/dbraw/zinc/89/08/80/348890880.db2.gz DPKWXOKHANQUNA-ONGXEEELSA-N 2 1 210.346 2.090 20 0 BEADMP CCC(CC)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130223291 535082778 /nfs/dbraw/zinc/08/27/78/535082778.db2.gz AMBGMZFHRRFJPT-QWHCGFSZSA-N 2 1 210.365 2.391 20 0 BEADMP C[N@H+](Cc1ccsc1)CC1CC[NH2+]CC1 ZINC000021949583 490219624 /nfs/dbraw/zinc/21/96/24/490219624.db2.gz HMGQNCHDEJZKLA-UHFFFAOYSA-N 2 1 224.373 2.180 20 0 BEADMP CSC1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000598976678 349070162 /nfs/dbraw/zinc/07/01/62/349070162.db2.gz ZLJISTRMITWPIQ-NSHDSACASA-N 2 1 242.432 2.344 20 0 BEADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccoc1 ZINC000308905136 349061756 /nfs/dbraw/zinc/06/17/56/349061756.db2.gz LETLHIWWRHCYSW-WDEREUQCSA-N 2 1 210.321 2.128 20 0 BEADMP CC[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248372850 349125339 /nfs/dbraw/zinc/12/53/39/349125339.db2.gz DDKNNRVTFYQVCL-OLZOCXBDSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1CSC[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623521703 362942968 /nfs/dbraw/zinc/94/29/68/362942968.db2.gz CJTQDWCIBSNVHW-GRYCIOLGSA-N 2 1 242.432 2.200 20 0 BEADMP C[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623524325 362944938 /nfs/dbraw/zinc/94/49/38/362944938.db2.gz OASJFEAYKRVBPG-IJLUTSLNSA-N 2 1 210.365 2.247 20 0 BEADMP Cc1c[nH+]ccc1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000070489531 350014855 /nfs/dbraw/zinc/01/48/55/350014855.db2.gz CYBWNBZGGVJRSC-GFCCVEGCSA-N 2 1 231.343 2.286 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC2CC2)C1 ZINC000132427462 191032886 /nfs/dbraw/zinc/03/28/86/191032886.db2.gz WUOLIKCKIWIPNN-AAEUAGOBSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]1C[N@@H+](CCOCCC(C)C)CC[C@@H]1[NH3+] ZINC000147517692 538057109 /nfs/dbraw/zinc/05/71/09/538057109.db2.gz CLAJCXVFQVBKOT-KGLIPLIRSA-N 2 1 242.407 2.108 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304585053 350157632 /nfs/dbraw/zinc/15/76/32/350157632.db2.gz OSHFETMEHCKCDC-IGQOVBAYSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)C ZINC000133326251 191040065 /nfs/dbraw/zinc/04/00/65/191040065.db2.gz XZIQPSYCMVVNCT-GRYCIOLGSA-N 2 1 212.381 2.493 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)C ZINC000133326251 191040068 /nfs/dbraw/zinc/04/00/68/191040068.db2.gz XZIQPSYCMVVNCT-GRYCIOLGSA-N 2 1 212.381 2.493 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304531847 350162212 /nfs/dbraw/zinc/16/22/12/350162212.db2.gz HBHQISNRUMLMLV-RQJABVFESA-N 2 1 222.376 2.106 20 0 BEADMP C[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000083390495 350193261 /nfs/dbraw/zinc/19/32/61/350193261.db2.gz STXNALHIBOKMBA-SMDDNHRTSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H](F)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623533113 362952390 /nfs/dbraw/zinc/95/23/90/362952390.db2.gz TXTZGDBRMSKNIH-GHMZBOCLSA-N 2 1 216.344 2.197 20 0 BEADMP Cc1ncccc1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226832451 180228167 /nfs/dbraw/zinc/22/81/67/180228167.db2.gz GHJCZCWODRTUHJ-JQWIXIFHSA-N 2 1 219.332 2.285 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccco1 ZINC000174452861 180234673 /nfs/dbraw/zinc/23/46/73/180234673.db2.gz STTUGIKSZJPAOD-UHFFFAOYSA-N 2 1 233.315 2.355 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(C)C ZINC000120121054 180234952 /nfs/dbraw/zinc/23/49/52/180234952.db2.gz GCZUSSSGEIMXAH-UHFFFAOYSA-N 2 1 209.337 2.169 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(C)C ZINC000120121054 180234954 /nfs/dbraw/zinc/23/49/54/180234954.db2.gz GCZUSSSGEIMXAH-UHFFFAOYSA-N 2 1 209.337 2.169 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H]1C[C@@H]1C ZINC000336678441 180235529 /nfs/dbraw/zinc/23/55/29/180235529.db2.gz BRXCKQQGLJUQNF-AAEUAGOBSA-N 2 1 221.348 2.217 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C1CCC1 ZINC000162042645 180236667 /nfs/dbraw/zinc/23/66/67/180236667.db2.gz BQIYMCZRIRICBS-UHFFFAOYSA-N 2 1 207.321 2.066 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)C1CCC1 ZINC000162042645 180236668 /nfs/dbraw/zinc/23/66/68/180236668.db2.gz BQIYMCZRIRICBS-UHFFFAOYSA-N 2 1 207.321 2.066 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(F)(F)F ZINC000270644786 180237735 /nfs/dbraw/zinc/23/77/35/180237735.db2.gz NSTBGHKXJBXBST-UHFFFAOYSA-N 2 1 249.280 2.466 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(F)(F)F ZINC000270644786 180237737 /nfs/dbraw/zinc/23/77/37/180237737.db2.gz NSTBGHKXJBXBST-UHFFFAOYSA-N 2 1 249.280 2.466 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccn1C ZINC000270638140 180237804 /nfs/dbraw/zinc/23/78/04/180237804.db2.gz MPFSRHUYEDXHGB-UHFFFAOYSA-N 2 1 246.358 2.052 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccn1C ZINC000270638140 180237807 /nfs/dbraw/zinc/23/78/07/180237807.db2.gz MPFSRHUYEDXHGB-UHFFFAOYSA-N 2 1 246.358 2.052 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)c1ccco1 ZINC000270623767 180249810 /nfs/dbraw/zinc/24/98/10/180249810.db2.gz DSMRRKUTPDXBGZ-LLVKDONJSA-N 2 1 233.315 2.478 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)c1ccco1 ZINC000270623767 180249813 /nfs/dbraw/zinc/24/98/13/180249813.db2.gz DSMRRKUTPDXBGZ-LLVKDONJSA-N 2 1 233.315 2.478 20 0 BEADMP Cc1[nH+]ccn1CC[NH+]1CCC2(CCC2)CC1 ZINC000375755384 180250509 /nfs/dbraw/zinc/25/05/09/180250509.db2.gz SAPUQQCXVVUOKE-UHFFFAOYSA-N 2 1 233.359 2.458 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1C ZINC000270601067 180241264 /nfs/dbraw/zinc/24/12/64/180241264.db2.gz GWXBLHMMBYJVKZ-LLVKDONJSA-N 2 1 207.321 2.066 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1C ZINC000270601067 180241265 /nfs/dbraw/zinc/24/12/65/180241265.db2.gz GWXBLHMMBYJVKZ-LLVKDONJSA-N 2 1 207.321 2.066 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](C)CC(C)C ZINC000309176837 180260617 /nfs/dbraw/zinc/26/06/17/180260617.db2.gz DBAZQIZKESKPAX-GFCCVEGCSA-N 2 1 223.364 2.463 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC12CCC2 ZINC000309879995 180261355 /nfs/dbraw/zinc/26/13/55/180261355.db2.gz VAEBSDLWBFRPBN-LBPRGKRZSA-N 2 1 219.332 2.114 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CC(C)(C)C ZINC000105442659 180266401 /nfs/dbraw/zinc/26/64/01/180266401.db2.gz YJAVOSZQOVKWHM-LLVKDONJSA-N 2 1 223.364 2.463 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H]1C[C@H]1C ZINC000309801516 180266922 /nfs/dbraw/zinc/26/69/22/180266922.db2.gz WNPIOTVZOKXSPD-NQBHXWOUSA-N 2 1 221.348 2.073 20 0 BEADMP Cc1[nH+]cn(C[C@H]2CC[C@H](C[NH3+])CC2)c1C ZINC000335447819 180287800 /nfs/dbraw/zinc/28/78/00/180287800.db2.gz QRBQVWSGSQCXMK-JOCQHMNTSA-N 2 1 221.348 2.265 20 0 BEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000577482027 365964108 /nfs/dbraw/zinc/96/41/08/365964108.db2.gz QYLFJAZPGMANPI-BDAKNGLRSA-N 2 1 228.286 2.450 20 0 BEADMP CC1(C)CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000063067424 350570080 /nfs/dbraw/zinc/57/00/80/350570080.db2.gz WTSMBUMIRCIDLH-UHFFFAOYSA-N 2 1 210.365 2.251 20 0 BEADMP CC[N@H+]1CCC[C@H]1CNc1cc[nH+]c(C)c1 ZINC000229560675 350579984 /nfs/dbraw/zinc/57/99/84/350579984.db2.gz LVQWOMDEGLFNRV-ZDUSSCGKSA-N 2 1 219.332 2.286 20 0 BEADMP CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000336656646 350614315 /nfs/dbraw/zinc/61/43/15/350614315.db2.gz LQAQQZDOWKKFFV-AAEUAGOBSA-N 2 1 222.376 2.249 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC23CC3)CC1(C)C ZINC000623554620 362974964 /nfs/dbraw/zinc/97/49/64/362974964.db2.gz GZZUOMHELDPEFI-WDEREUQCSA-N 2 1 208.349 2.001 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CC23CC3)CC1(C)C ZINC000623554618 362975425 /nfs/dbraw/zinc/97/54/25/362975425.db2.gz GZZUOMHELDPEFI-MNOVXSKESA-N 2 1 208.349 2.001 20 0 BEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@H]1CCCC[C@H]1C ZINC000346689618 365991983 /nfs/dbraw/zinc/99/19/83/365991983.db2.gz ZQPUSVQSLFJNHX-AAVRWANBSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623558518 362981306 /nfs/dbraw/zinc/98/13/06/362981306.db2.gz AGILQMCDTQNJIW-TUAOUCFPSA-N 2 1 242.432 2.343 20 0 BEADMP Cc1cc(C[NH2+]CCC[N@@H+](C)CC(C)C)ccn1 ZINC000623559050 362981825 /nfs/dbraw/zinc/98/18/25/362981825.db2.gz QNCYNVZEIRRWMN-UHFFFAOYSA-N 2 1 249.402 2.458 20 0 BEADMP Cc1cc(C[NH2+]CCC[N@H+](C)CC(C)C)ccn1 ZINC000623559050 362981836 /nfs/dbraw/zinc/98/18/36/362981836.db2.gz QNCYNVZEIRRWMN-UHFFFAOYSA-N 2 1 249.402 2.458 20 0 BEADMP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336683716 350919717 /nfs/dbraw/zinc/91/97/17/350919717.db2.gz ZIJBGEABSBEWRO-AGIUHOORSA-N 2 1 222.376 2.391 20 0 BEADMP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623564114 362990421 /nfs/dbraw/zinc/99/04/21/362990421.db2.gz SKCAYAIUBGUULX-AVGNSLFASA-N 2 1 240.391 2.016 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)C2CC2)[C@@H](C)C1 ZINC000252708828 538099915 /nfs/dbraw/zinc/09/99/15/538099915.db2.gz BFKMJMZKCAWKPO-OBJOEFQTSA-N 2 1 224.392 2.352 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]32)CC1(C)C ZINC000623572200 363001422 /nfs/dbraw/zinc/00/14/22/363001422.db2.gz USPUTNMZZPVBDO-NDBYEHHHSA-N 2 1 222.376 2.247 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@H]2CC2(F)F)CC1(C)C ZINC000623575978 363005530 /nfs/dbraw/zinc/00/55/30/363005530.db2.gz YIPCNDXYUCEMRE-WDEREUQCSA-N 2 1 246.345 2.494 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC2(F)F)CC1(C)C ZINC000623575976 363006050 /nfs/dbraw/zinc/00/60/50/363006050.db2.gz YIPCNDXYUCEMRE-MNOVXSKESA-N 2 1 246.345 2.494 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccsc1 ZINC000063153016 351263881 /nfs/dbraw/zinc/26/38/81/351263881.db2.gz XJRXGAMYMXMLGZ-ONGXEEELSA-N 2 1 210.346 2.060 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccsc1 ZINC000063153016 351263883 /nfs/dbraw/zinc/26/38/83/351263883.db2.gz XJRXGAMYMXMLGZ-ONGXEEELSA-N 2 1 210.346 2.060 20 0 BEADMP CC(C)[C@@H](C)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261530861 535161743 /nfs/dbraw/zinc/16/17/43/535161743.db2.gz DIDRAFOUPUORSR-UPJWGTAASA-N 2 1 212.381 2.351 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2CCSCC2)C1 ZINC000638075948 351948978 /nfs/dbraw/zinc/94/89/78/351948978.db2.gz HVOPTBASORZUOR-ZDUSSCGKSA-N 2 1 242.432 2.013 20 0 BEADMP CC[C@](C)(C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)OC ZINC000638118044 351993556 /nfs/dbraw/zinc/99/35/56/351993556.db2.gz VEQBADONWZBICR-MGPQQGTHSA-N 2 1 242.407 2.216 20 0 BEADMP CC[C@](C)(C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)OC ZINC000638118044 351993558 /nfs/dbraw/zinc/99/35/58/351993558.db2.gz VEQBADONWZBICR-MGPQQGTHSA-N 2 1 242.407 2.216 20 0 BEADMP CC[C@](C)(C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)OC ZINC000638118044 351993559 /nfs/dbraw/zinc/99/35/59/351993559.db2.gz VEQBADONWZBICR-MGPQQGTHSA-N 2 1 242.407 2.216 20 0 BEADMP CC[C@](C)(C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)OC ZINC000638118044 351993562 /nfs/dbraw/zinc/99/35/62/351993562.db2.gz VEQBADONWZBICR-MGPQQGTHSA-N 2 1 242.407 2.216 20 0 BEADMP CC[C@H](C)[C@H](C[NH2+]CCC[N@@H+](C)C(C)C)OC ZINC000638337032 352155452 /nfs/dbraw/zinc/15/54/52/352155452.db2.gz BOUGLVCJNMSXDN-KBPBESRZSA-N 2 1 244.423 2.367 20 0 BEADMP CC(C)[N@@H+](C)CCC[NH2+]CC1CCSCC1 ZINC000638338547 352159031 /nfs/dbraw/zinc/15/90/31/352159031.db2.gz YMMFTENADYCAJU-UHFFFAOYSA-N 2 1 244.448 2.450 20 0 BEADMP CC[C@@H](C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[NH+]1CCCC1 ZINC000638354492 352169252 /nfs/dbraw/zinc/16/92/52/352169252.db2.gz OALAZNVZTWJOQV-XGUBFFRZSA-N 2 1 236.403 2.497 20 0 BEADMP C([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000638358338 352170267 /nfs/dbraw/zinc/17/02/67/352170267.db2.gz CDIOXWAXYKULJA-YIYPIFLZSA-N 2 1 234.387 2.106 20 0 BEADMP C([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638368363 352179607 /nfs/dbraw/zinc/17/96/07/352179607.db2.gz JQJCAVJUMOGHIF-AIEDFZFUSA-N 2 1 234.387 2.249 20 0 BEADMP C([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638368363 352179610 /nfs/dbraw/zinc/17/96/10/352179610.db2.gz JQJCAVJUMOGHIF-AIEDFZFUSA-N 2 1 234.387 2.249 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CC1(F)F ZINC000638377103 352188886 /nfs/dbraw/zinc/18/88/86/352188886.db2.gz NHZOOZHKGNMECT-IRCOFANPSA-N 2 1 244.329 2.247 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000638384405 352195035 /nfs/dbraw/zinc/19/50/35/352195035.db2.gz ACZWNWWXSBQDPG-ONGXEEELSA-N 2 1 243.301 2.215 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CS[C@H](C)C2)C1 ZINC000638409120 352218472 /nfs/dbraw/zinc/21/84/72/352218472.db2.gz JIAWTVFEPBANFB-UPJWGTAASA-N 2 1 242.432 2.202 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@](C)(CC)OC)C1 ZINC000638452315 352263053 /nfs/dbraw/zinc/26/30/53/352263053.db2.gz XCLAYRJMVFJIIB-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP Cc1ccc(CNC[C@@H]2CCC[N@H+](C)C2)o1 ZINC000044535251 352352020 /nfs/dbraw/zinc/35/20/20/352352020.db2.gz RJOQMJCTPDCGOP-LBPRGKRZSA-N 2 1 222.332 2.019 20 0 BEADMP CCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C[NH3+] ZINC000414931960 352338151 /nfs/dbraw/zinc/33/81/51/352338151.db2.gz SBLLCNJUJINYKR-OCCSQVGLSA-N 2 1 220.360 2.335 20 0 BEADMP COc1ccc(C[NH2+][C@H](C)C[NH3+])c2ccccc12 ZINC000414934311 352343093 /nfs/dbraw/zinc/34/30/93/352343093.db2.gz UJYNSVFQZTZXKL-LLVKDONJSA-N 2 1 244.338 2.285 20 0 BEADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](C)[C@@H]2C)CC[NH2+]1 ZINC000252931282 538103659 /nfs/dbraw/zinc/10/36/59/538103659.db2.gz BFFRSWMZRDXURF-QNWHQSFQSA-N 2 1 210.365 2.247 20 0 BEADMP CCC[N@H+](CC)CC[NH2+]CC1CCSCC1 ZINC000638719585 352566364 /nfs/dbraw/zinc/56/63/64/352566364.db2.gz DZWLQASQQQKDOD-UHFFFAOYSA-N 2 1 244.448 2.451 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+]CC1CCSCC1 ZINC000638719585 352566367 /nfs/dbraw/zinc/56/63/67/352566367.db2.gz DZWLQASQQQKDOD-UHFFFAOYSA-N 2 1 244.448 2.451 20 0 BEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C[C@@H]1C[C@H]1C ZINC000336746058 352735629 /nfs/dbraw/zinc/73/56/29/352735629.db2.gz WBOWPGAJSOVHIU-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C[C@@H]1C[C@H]1C ZINC000336746058 352735632 /nfs/dbraw/zinc/73/56/32/352735632.db2.gz WBOWPGAJSOVHIU-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334217510 352817778 /nfs/dbraw/zinc/81/77/78/352817778.db2.gz HGCXOSIFIKYVRS-ZIAGYGMSSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@@H](C)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334217510 352817782 /nfs/dbraw/zinc/81/77/82/352817782.db2.gz HGCXOSIFIKYVRS-ZIAGYGMSSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)C1CCCC1 ZINC000334192769 352784238 /nfs/dbraw/zinc/78/42/38/352784238.db2.gz JQFCCRBHAUPEAK-ZYHUDNBSSA-N 2 1 233.359 2.435 20 0 BEADMP C[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC000334267528 352903044 /nfs/dbraw/zinc/90/30/44/352903044.db2.gz ZULMVAAIYGOVKX-AWEZNQCLSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC000334267528 352903047 /nfs/dbraw/zinc/90/30/47/352903047.db2.gz ZULMVAAIYGOVKX-AWEZNQCLSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC000334267528 352903051 /nfs/dbraw/zinc/90/30/51/352903051.db2.gz ZULMVAAIYGOVKX-AWEZNQCLSA-N 2 1 222.376 2.347 20 0 BEADMP CC[C@@H]1CCC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000336751138 353049948 /nfs/dbraw/zinc/04/99/48/353049948.db2.gz ZYWIEDVXTSBOBJ-YPMHNXCESA-N 2 1 221.348 2.131 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000336753580 353107544 /nfs/dbraw/zinc/10/75/44/353107544.db2.gz FBGLCNLMODQANJ-UONOGXRCSA-N 2 1 222.376 2.249 20 0 BEADMP CCCCOCC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000362172153 188071592 /nfs/dbraw/zinc/07/15/92/188071592.db2.gz AEFWYTVLANBFPC-UHFFFAOYSA-N 2 1 242.407 2.219 20 0 BEADMP CCCCOCC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000362172153 188071594 /nfs/dbraw/zinc/07/15/94/188071594.db2.gz AEFWYTVLANBFPC-UHFFFAOYSA-N 2 1 242.407 2.219 20 0 BEADMP C(C[N@H+]1CCC2(CCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000335663575 188083181 /nfs/dbraw/zinc/08/31/81/188083181.db2.gz NVFKDLMGDXQTIX-ZDUSSCGKSA-N 2 1 222.376 2.252 20 0 BEADMP CC(C)[C@H](C[NH2+]CC1CC1)[NH+]1CCCC1 ZINC000036883847 188103970 /nfs/dbraw/zinc/10/39/70/188103970.db2.gz IPYKNDIJMTTWSJ-ZDUSSCGKSA-N 2 1 210.365 2.106 20 0 BEADMP C(C1CCCC1)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000133268086 188145038 /nfs/dbraw/zinc/14/50/38/188145038.db2.gz NCXXWVPYGJLJPW-OLZOCXBDSA-N 2 1 208.349 2.003 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccco1 ZINC000049330130 188124389 /nfs/dbraw/zinc/12/43/89/188124389.db2.gz MOVLYBIUTXPTFS-JTQLQIEISA-N 2 1 219.288 2.135 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000300987395 188171966 /nfs/dbraw/zinc/17/19/66/188171966.db2.gz VBERXDRECRSPLG-MJBXVCDLSA-N 2 1 224.392 2.352 20 0 BEADMP C([NH2+][C@H]1CCC12CCC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000337399691 188186760 /nfs/dbraw/zinc/18/67/60/188186760.db2.gz PEZLIFTZOIISPA-JSGCOSHPSA-N 2 1 234.387 2.393 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C2CCC2)C1 ZINC000336768279 353279420 /nfs/dbraw/zinc/27/94/20/353279420.db2.gz QSIOFSOHALNVRB-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP C1C[NH2+]C[C@H]([NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000043326494 188216799 /nfs/dbraw/zinc/21/67/99/188216799.db2.gz JISHDCGEGUZBPX-DUTNFGBUSA-N 2 1 234.387 2.153 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CC(C)(C)C2)C1 ZINC000336772085 353312200 /nfs/dbraw/zinc/31/22/00/353312200.db2.gz VDFYBAMGSCLKHD-LBPRGKRZSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1cc(C[N@H+](C)C2CC[NH2+]CC2)ccc1F ZINC000084534697 353379315 /nfs/dbraw/zinc/37/93/15/353379315.db2.gz RFWBETXLFGEVQZ-UHFFFAOYSA-N 2 1 236.334 2.318 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000336773921 353420562 /nfs/dbraw/zinc/42/05/62/353420562.db2.gz WLNLAMAGYRFKIQ-OLZOCXBDSA-N 2 1 242.432 2.061 20 0 BEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000226543348 538116706 /nfs/dbraw/zinc/11/67/06/538116706.db2.gz ZSJBUSSRKGAOTF-MELADBBJSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@H]1C[C@@H](C)C[N@H+]1CCCn1ccnc1 ZINC000343306097 353525469 /nfs/dbraw/zinc/52/54/69/353525469.db2.gz UPDMOSXZSHPAFQ-OLZOCXBDSA-N 2 1 221.348 2.394 20 0 BEADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000192390363 353549449 /nfs/dbraw/zinc/54/94/49/353549449.db2.gz RYBJEQJLVARLBC-AAEUAGOBSA-N 2 1 224.392 2.495 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@@H]2CC3CCC2CC3)CC1 ZINC000400022729 353596871 /nfs/dbraw/zinc/59/68/71/353596871.db2.gz NYCZRACTHQSWLH-RUXDESIVSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1ncc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)s1 ZINC000231462335 353605639 /nfs/dbraw/zinc/60/56/39/353605639.db2.gz JHZIGPWWLZSZBG-LLVKDONJSA-N 2 1 239.388 2.025 20 0 BEADMP Cc1ncc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)s1 ZINC000231462335 353605644 /nfs/dbraw/zinc/60/56/44/353605644.db2.gz JHZIGPWWLZSZBG-LLVKDONJSA-N 2 1 239.388 2.025 20 0 BEADMP CC[N@@H+](C)C[C@H]1CCN(C/C=C(/C)Cl)C1 ZINC000528396505 324220428 /nfs/dbraw/zinc/22/04/28/324220428.db2.gz IEPCQZHTWCRWDB-DKRCXCIFSA-N 2 1 230.783 2.403 20 0 BEADMP CCC[N@@H+](CC1CC1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000233033263 353788603 /nfs/dbraw/zinc/78/86/03/353788603.db2.gz REMWBNMXUDUQCZ-GXTWGEPZSA-N 2 1 224.392 2.497 20 0 BEADMP CCC[NH2+]CC[NH2+]C[C@H](C)c1ccccc1 ZINC000233091348 353795468 /nfs/dbraw/zinc/79/54/68/353795468.db2.gz PIRUXCRZCCLCJK-ZDUSSCGKSA-N 2 1 220.360 2.379 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000343923262 354043237 /nfs/dbraw/zinc/04/32/37/354043237.db2.gz GNERMXYMNQSQPH-MELADBBJSA-N 2 1 242.407 2.121 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000343923262 354043241 /nfs/dbraw/zinc/04/32/41/354043241.db2.gz GNERMXYMNQSQPH-MELADBBJSA-N 2 1 242.407 2.121 20 0 BEADMP C[NH+](C)CCC[N@@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000639167194 354048299 /nfs/dbraw/zinc/04/82/99/354048299.db2.gz BNISTLICHCKKLE-MCIONIFRSA-N 2 1 224.392 2.306 20 0 BEADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000344034200 354098141 /nfs/dbraw/zinc/09/81/41/354098141.db2.gz GWILCTMOBPMNER-CQSZACIVSA-N 2 1 233.359 2.480 20 0 BEADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H]1CC=CCC1 ZINC000344034200 354098144 /nfs/dbraw/zinc/09/81/44/354098144.db2.gz GWILCTMOBPMNER-CQSZACIVSA-N 2 1 233.359 2.480 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CC(F)(F)C1 ZINC000529548276 324336645 /nfs/dbraw/zinc/33/66/45/324336645.db2.gz KFQZUIFTMAEQBX-MNOVXSKESA-N 2 1 246.345 2.352 20 0 BEADMP CCC[N@@H+](CCC[C@@H]1CCO1)CCC[NH+](C)C ZINC000639175106 354191498 /nfs/dbraw/zinc/19/14/98/354191498.db2.gz IOUNHPSAEUWHCM-CQSZACIVSA-N 2 1 242.407 2.219 20 0 BEADMP CSc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC000334588197 354214481 /nfs/dbraw/zinc/21/44/81/354214481.db2.gz UCBNMYVSXZLZRX-UHFFFAOYSA-N 2 1 236.384 2.332 20 0 BEADMP CC[C@](C)(C[N@@H+](C)[C@H]1CCN(C)C[C@H]1C)OC ZINC000639179542 354272767 /nfs/dbraw/zinc/27/27/67/354272767.db2.gz UCTSGLMUNNYPBY-HZSPNIEDSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@](C)(C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)OC ZINC000639179542 354272770 /nfs/dbraw/zinc/27/27/70/354272770.db2.gz UCTSGLMUNNYPBY-HZSPNIEDSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@](C)(C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)OC ZINC000639179542 354272771 /nfs/dbraw/zinc/27/27/71/354272771.db2.gz UCTSGLMUNNYPBY-HZSPNIEDSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@](C)(C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C)OC ZINC000639179542 354272775 /nfs/dbraw/zinc/27/27/75/354272775.db2.gz UCTSGLMUNNYPBY-HZSPNIEDSA-N 2 1 242.407 2.074 20 0 BEADMP CC[C@](C)(C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C)OC ZINC000639179542 354272780 /nfs/dbraw/zinc/27/27/80/354272780.db2.gz UCTSGLMUNNYPBY-HZSPNIEDSA-N 2 1 242.407 2.074 20 0 BEADMP C[C@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CCC1(F)F ZINC000334685095 354431152 /nfs/dbraw/zinc/43/11/52/354431152.db2.gz VNEDBJLLOZSNGF-RYUDHWBXSA-N 2 1 246.345 2.448 20 0 BEADMP C[C@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CCC1(F)F ZINC000334685095 354431156 /nfs/dbraw/zinc/43/11/56/354431156.db2.gz VNEDBJLLOZSNGF-RYUDHWBXSA-N 2 1 246.345 2.448 20 0 BEADMP C[C@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CCC1(F)F ZINC000334685095 354431158 /nfs/dbraw/zinc/43/11/58/354431158.db2.gz VNEDBJLLOZSNGF-RYUDHWBXSA-N 2 1 246.345 2.448 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C2CC3(CCC3)C2)CC[N@@H+]1C ZINC000334727829 354527749 /nfs/dbraw/zinc/52/77/49/354527749.db2.gz NVAJRCBTDJOTHN-NWDGAFQWSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@H]1C[C@H]([NH2+]C2CC3(CCC3)C2)CC[N@H+]1C ZINC000334727829 354527751 /nfs/dbraw/zinc/52/77/51/354527751.db2.gz NVAJRCBTDJOTHN-NWDGAFQWSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2CC3(CCC3)C2)CC[N@@H+]1C ZINC000334727828 354527929 /nfs/dbraw/zinc/52/79/29/354527929.db2.gz NVAJRCBTDJOTHN-NEPJUHHUSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C2CC3(CCC3)C2)CC[N@H+]1C ZINC000334727828 354527932 /nfs/dbraw/zinc/52/79/32/354527932.db2.gz NVAJRCBTDJOTHN-NEPJUHHUSA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@H](C)C[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000233998350 363413633 /nfs/dbraw/zinc/41/36/33/363413633.db2.gz WSMPAVRNPXUQOV-RWMBFGLXSA-N 2 1 212.381 2.352 20 0 BEADMP COc1ccc([C@H](C)C[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000346075955 354858667 /nfs/dbraw/zinc/85/86/67/354858667.db2.gz AFIAILZXAMZBGF-OCCSQVGLSA-N 2 1 248.370 2.222 20 0 BEADMP COc1ccc([C@H](C)C[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000346075955 354858670 /nfs/dbraw/zinc/85/86/70/354858670.db2.gz AFIAILZXAMZBGF-OCCSQVGLSA-N 2 1 248.370 2.222 20 0 BEADMP COc1ccc([C@H](C)C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000346075956 354858768 /nfs/dbraw/zinc/85/87/68/354858768.db2.gz AFIAILZXAMZBGF-TZMCWYRMSA-N 2 1 248.370 2.222 20 0 BEADMP COc1ccc([C@H](C)C[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000346075956 354858772 /nfs/dbraw/zinc/85/87/72/354858772.db2.gz AFIAILZXAMZBGF-TZMCWYRMSA-N 2 1 248.370 2.222 20 0 BEADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2CCSC2)CC1 ZINC000335196467 355029860 /nfs/dbraw/zinc/02/98/60/355029860.db2.gz WHQAXQVMOZSSMG-QWHCGFSZSA-N 2 1 242.432 2.156 20 0 BEADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H]2CCSC2)CC1 ZINC000335196475 355029873 /nfs/dbraw/zinc/02/98/73/355029873.db2.gz WHQAXQVMOZSSMG-STQMWFEESA-N 2 1 242.432 2.156 20 0 BEADMP CC[C@@H](F)CN1CCC2(CCC[N@H+]2C)CC1 ZINC000335229745 355072370 /nfs/dbraw/zinc/07/23/70/355072370.db2.gz SIQYXJXTDDWFTE-GFCCVEGCSA-N 2 1 228.355 2.295 20 0 BEADMP CC[C@@H](C[N@@H+]1CC[C@H](N)C1)c1ccccc1 ZINC000346690663 355074922 /nfs/dbraw/zinc/07/49/22/355074922.db2.gz URQNGHPBTVFSIZ-JSGCOSHPSA-N 2 1 218.344 2.213 20 0 BEADMP CC[C@@H](C[N@H+]1CC[C@H](N)C1)c1ccccc1 ZINC000346690663 355074925 /nfs/dbraw/zinc/07/49/25/355074925.db2.gz URQNGHPBTVFSIZ-JSGCOSHPSA-N 2 1 218.344 2.213 20 0 BEADMP CC[C@@H](C[N@@H+]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000346690663 355074928 /nfs/dbraw/zinc/07/49/28/355074928.db2.gz URQNGHPBTVFSIZ-JSGCOSHPSA-N 2 1 218.344 2.213 20 0 BEADMP CC[C@@H](C[N@H+]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000346690663 355074931 /nfs/dbraw/zinc/07/49/31/355074931.db2.gz URQNGHPBTVFSIZ-JSGCOSHPSA-N 2 1 218.344 2.213 20 0 BEADMP CN(C)c1ccccc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000346692973 355076376 /nfs/dbraw/zinc/07/63/76/355076376.db2.gz KDKPNLBHBXXXME-UHFFFAOYSA-N 2 1 249.402 2.169 20 0 BEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000335215937 355054088 /nfs/dbraw/zinc/05/40/88/355054088.db2.gz KORIKVQSEDSUNM-UONOGXRCSA-N 2 1 241.338 2.204 20 0 BEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccs1 ZINC000335217871 355056277 /nfs/dbraw/zinc/05/62/77/355056277.db2.gz MDHNVSLRAMQJGP-VXGBXAGGSA-N 2 1 224.373 2.498 20 0 BEADMP C[N@@H+](CCCc1ccccc1)CC(C)(C)[NH3+] ZINC000346821019 355124967 /nfs/dbraw/zinc/12/49/67/355124967.db2.gz KQSHZTBCHHNYKR-UHFFFAOYSA-N 2 1 220.360 2.288 20 0 BEADMP CC(C)([NH3+])C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000346848849 355138013 /nfs/dbraw/zinc/13/80/13/355138013.db2.gz OHYXVMRIIMSYMF-CQSZACIVSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@H]1Cc2ccccc2C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346975485 355209091 /nfs/dbraw/zinc/20/90/91/355209091.db2.gz JEOZXBLISFPACL-KBPBESRZSA-N 2 1 244.382 2.433 20 0 BEADMP C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CC(C)(C)[NH3+] ZINC000346986920 355187701 /nfs/dbraw/zinc/18/77/01/355187701.db2.gz PXRIRRZUVDYFKL-BXUZGUMPSA-N 2 1 248.370 2.048 20 0 BEADMP C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000346986920 355187702 /nfs/dbraw/zinc/18/77/02/355187702.db2.gz PXRIRRZUVDYFKL-BXUZGUMPSA-N 2 1 248.370 2.048 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)CC[NH2+]1 ZINC000335259722 355199992 /nfs/dbraw/zinc/19/99/92/355199992.db2.gz LPRXTFWWKUJRHU-ZANVPECISA-N 2 1 240.297 2.195 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H]2CCCC[C@@H]21 ZINC000347008690 355202318 /nfs/dbraw/zinc/20/23/18/355202318.db2.gz RVOZTYNRKJMBFL-KBUPBQIOSA-N 2 1 236.403 2.497 20 0 BEADMP CCSCC[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000347012159 355204425 /nfs/dbraw/zinc/20/44/25/355204425.db2.gz UUSFBSJTNKRNJK-OLZOCXBDSA-N 2 1 244.448 2.450 20 0 BEADMP C[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@H]1CC1(F)F ZINC000639241485 355227267 /nfs/dbraw/zinc/22/72/67/355227267.db2.gz FOZNLMZLDYFQNW-WDEREUQCSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@H]1CC1(F)F ZINC000639241485 355227270 /nfs/dbraw/zinc/22/72/70/355227270.db2.gz FOZNLMZLDYFQNW-WDEREUQCSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CC1(F)F ZINC000639245730 355275011 /nfs/dbraw/zinc/27/50/11/355275011.db2.gz BDXPBJKEAAFUSQ-RIEIUKCASA-N 2 1 244.329 2.245 20 0 BEADMP C[C@@H]1CC2(C[N@H+]1Cc1cccnc1)CC[NH2+]CC2 ZINC000335281421 355271972 /nfs/dbraw/zinc/27/19/72/355271972.db2.gz PYWZRYGCJDPEDN-CYBMUJFWSA-N 2 1 245.370 2.046 20 0 BEADMP C[C@H]1CC2(C[N@H+]1Cc1cccnc1)CC[NH2+]CC2 ZINC000335281423 355272100 /nfs/dbraw/zinc/27/21/00/355272100.db2.gz PYWZRYGCJDPEDN-ZDUSSCGKSA-N 2 1 245.370 2.046 20 0 BEADMP CC[C@](C)(C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)OC ZINC000639258128 355305037 /nfs/dbraw/zinc/30/50/37/355305037.db2.gz ZWRVMHPHBFYMFM-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CC(C)(C)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414783748 191567502 /nfs/dbraw/zinc/56/75/02/191567502.db2.gz QMJOFFZZXNFTGM-CHWSQXEVSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@H](CCc1cccc(F)c1)[NH2+][C@H]1CC[NH2+]C1 ZINC000414864163 191605766 /nfs/dbraw/zinc/60/57/66/191605766.db2.gz BJQXNSVUSOFYBK-RISCZKNCSA-N 2 1 236.334 2.098 20 0 BEADMP COc1cccc(Cl)c1C[NH2+][C@@H](C)CC[NH3+] ZINC000414874522 191610254 /nfs/dbraw/zinc/61/02/54/191610254.db2.gz BCSSSBTWIPIOBW-VIFPVBQESA-N 2 1 242.750 2.176 20 0 BEADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000414943815 191629718 /nfs/dbraw/zinc/62/97/18/191629718.db2.gz MVMAEHHTIVLGQB-TUAOUCFPSA-N 2 1 200.370 2.384 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(C)c(C)c1 ZINC000414975721 191638668 /nfs/dbraw/zinc/63/86/68/191638668.db2.gz GWIAZKCOLDACAI-ZDUSSCGKSA-N 2 1 206.333 2.130 20 0 BEADMP C[C@@H]1CC2(C[N@H+]1CC1(C)CC1)CC[NH2+]CC2 ZINC000583559178 355610104 /nfs/dbraw/zinc/61/01/04/355610104.db2.gz JAWZETUXQNMVBU-GFCCVEGCSA-N 2 1 222.376 2.251 20 0 BEADMP CC(C)[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCS1 ZINC000335837726 355566826 /nfs/dbraw/zinc/56/68/26/355566826.db2.gz NYCBVLMCRPBMAQ-QWHCGFSZSA-N 2 1 242.432 2.059 20 0 BEADMP C[C@@H]1CCCC[N@@H+](CCCc2cncn2C)C1 ZINC000582189535 355693584 /nfs/dbraw/zinc/69/35/84/355693584.db2.gz SPNYSLWXXBUMDC-CYBMUJFWSA-N 2 1 235.375 2.475 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCCOC ZINC000353986615 355748013 /nfs/dbraw/zinc/74/80/13/355748013.db2.gz JZTGXDZHBUIQAE-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCCOC ZINC000353986615 355748016 /nfs/dbraw/zinc/74/80/16/355748016.db2.gz JZTGXDZHBUIQAE-ZIAGYGMSSA-N 2 1 242.407 2.266 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CS1 ZINC000639346599 355793113 /nfs/dbraw/zinc/79/31/13/355793113.db2.gz HMKUZJWSOYHEFS-FRRDWIJNSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)C1C[NH2+]C1 ZINC000530218179 355899708 /nfs/dbraw/zinc/89/97/08/355899708.db2.gz KESRAYOURABDEU-XHDPSFHLSA-N 2 1 245.370 2.120 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000351471953 355996195 /nfs/dbraw/zinc/99/61/95/355996195.db2.gz NIIQRMBMUPKVHS-DYEKYZERSA-N 2 1 232.327 2.191 20 0 BEADMP C[C@H]1C[N@@H+](CCCc2ccsc2)CC[C@H]1[NH3+] ZINC000420296020 192204537 /nfs/dbraw/zinc/20/45/37/192204537.db2.gz WLBHZYFXJWROCO-WCQYABFASA-N 2 1 238.400 2.350 20 0 BEADMP CCCC[N@@H+](CCOC)CC[C@H]1CCC[NH2+]C1 ZINC000420298176 192204944 /nfs/dbraw/zinc/20/49/44/192204944.db2.gz GYDTYAUQUFRVCB-CQSZACIVSA-N 2 1 242.407 2.125 20 0 BEADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000420297421 192204986 /nfs/dbraw/zinc/20/49/86/192204986.db2.gz DIIBBELAXOBEGU-UKRRQHHQSA-N 2 1 232.371 2.431 20 0 BEADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H](C)C(C)C ZINC000420295763 192205790 /nfs/dbraw/zinc/20/57/90/192205790.db2.gz CQJMFDHACRFTMD-OLZOCXBDSA-N 2 1 212.381 2.352 20 0 BEADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CCC1 ZINC000420302527 192206837 /nfs/dbraw/zinc/20/68/37/192206837.db2.gz MLKUEKFPEDKORV-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP CC[N@@H+](CC[C@@H]1CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000420300988 192206942 /nfs/dbraw/zinc/20/69/42/192206942.db2.gz ABEHWVCBGQZIDF-KBPBESRZSA-N 2 1 240.391 2.020 20 0 BEADMP C[C@@](C[NH3+])([NH2+]CCCc1ccsc1)C1CC1 ZINC000420286191 192199634 /nfs/dbraw/zinc/19/96/34/192199634.db2.gz FUFYSONJXRSJDZ-ZDUSSCGKSA-N 2 1 238.400 2.398 20 0 BEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000336120951 134091156 /nfs/dbraw/zinc/09/11/56/134091156.db2.gz GJAFYROZJUEDIZ-CYBMUJFWSA-N 2 1 210.365 2.203 20 0 BEADMP CCc1cccc(C[N@H+](C)[C@H](C[NH3+])C2CC2)c1 ZINC000420316344 192213026 /nfs/dbraw/zinc/21/30/26/192213026.db2.gz NLAUGWAPIWSIMZ-OAHLLOKOSA-N 2 1 232.371 2.418 20 0 BEADMP CCc1cccc(C[N@@H+](C)[C@H](C[NH3+])C2CC2)c1 ZINC000420316344 192213028 /nfs/dbraw/zinc/21/30/28/192213028.db2.gz NLAUGWAPIWSIMZ-OAHLLOKOSA-N 2 1 232.371 2.418 20 0 BEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCc1ccsc1 ZINC000420316219 192213318 /nfs/dbraw/zinc/21/33/18/192213318.db2.gz LTTGZTURKISMBO-WCQYABFASA-N 2 1 238.400 2.350 20 0 BEADMP CCc1cccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420315724 192213406 /nfs/dbraw/zinc/21/34/06/192213406.db2.gz XIAJKKYEFDQQPI-MRXNPFEDSA-N 2 1 244.382 2.434 20 0 BEADMP CCCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420334283 192214025 /nfs/dbraw/zinc/21/40/25/192214025.db2.gz GBIJBCCDZWIECC-OLZOCXBDSA-N 2 1 210.365 2.108 20 0 BEADMP C[N@@H+](CC[C@H]1CCCCO1)[C@H]1CCC[NH2+]CC1 ZINC000420318414 192214287 /nfs/dbraw/zinc/21/42/87/192214287.db2.gz WBEQBIYRLQOHTG-UONOGXRCSA-N 2 1 240.391 2.020 20 0 BEADMP CCCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420334282 192215271 /nfs/dbraw/zinc/21/52/71/192215271.db2.gz GBIJBCCDZWIECC-CHWSQXEVSA-N 2 1 210.365 2.108 20 0 BEADMP CC(C)CCC1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000420303445 192207796 /nfs/dbraw/zinc/20/77/96/192207796.db2.gz NJRNDOAFZALHJO-GFCCVEGCSA-N 2 1 212.381 2.482 20 0 BEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC[C@@H]1CCCCO1 ZINC000420307713 192208449 /nfs/dbraw/zinc/20/84/49/192208449.db2.gz CDTUGCHEWSGGHJ-KGLIPLIRSA-N 2 1 240.391 2.149 20 0 BEADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H]2C)cc1 ZINC000420306612 192208904 /nfs/dbraw/zinc/20/89/04/192208904.db2.gz QNBBTOONRRNWPM-OCCSQVGLSA-N 2 1 248.370 2.222 20 0 BEADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C(C1CC1)C1CC1 ZINC000420304833 192209414 /nfs/dbraw/zinc/20/94/14/192209414.db2.gz OSKZJSLGFMCXLS-GFCCVEGCSA-N 2 1 236.403 2.497 20 0 BEADMP CO[C@H](C)C[N@@H+](CC[C@H]1CCC[NH2+]C1)C(C)C ZINC000420307610 192209423 /nfs/dbraw/zinc/20/94/23/192209423.db2.gz RNVPFAFZGIYJSK-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1CCC[C@@H](C)[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420305663 192209538 /nfs/dbraw/zinc/20/95/38/192209538.db2.gz PTKXXBMWMFZTJU-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000420310950 192210431 /nfs/dbraw/zinc/21/04/31/192210431.db2.gz VMAGIFXIGLEBBK-GUTXKFCHSA-N 2 1 232.371 2.287 20 0 BEADMP CCc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000420314915 192212501 /nfs/dbraw/zinc/21/25/01/192212501.db2.gz LRGRCELNJNUTQJ-JKSUJKDBSA-N 2 1 244.382 2.290 20 0 BEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCCCCF ZINC000420369222 192226193 /nfs/dbraw/zinc/22/61/93/192226193.db2.gz UTTKGDIIJGZLHX-JTQLQIEISA-N 2 1 204.333 2.089 20 0 BEADMP CCc1cccc(C[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000420323979 192228158 /nfs/dbraw/zinc/22/81/58/192228158.db2.gz BVBIHQOCNWGLOI-UHFFFAOYSA-N 2 1 218.344 2.171 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])cc1C ZINC000420370569 192228564 /nfs/dbraw/zinc/22/85/64/192228564.db2.gz JOXPGKXWNYVXDZ-NWDGAFQWSA-N 2 1 206.333 2.301 20 0 BEADMP CC(C)(C)CCC[N@H+]1CCNC[C@@](C)(F)C1 ZINC000420329598 192229395 /nfs/dbraw/zinc/22/93/95/192229395.db2.gz JZLZEPDZSMGOSU-CYBMUJFWSA-N 2 1 230.371 2.446 20 0 BEADMP Cc1ccccc1CCC[N@H+](C)C1CC([NH3+])C1 ZINC000420327021 192230667 /nfs/dbraw/zinc/23/06/67/192230667.db2.gz GESXFDSKFRZNIT-UHFFFAOYSA-N 2 1 232.371 2.349 20 0 BEADMP CCSCC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420354190 192219598 /nfs/dbraw/zinc/21/95/98/192219598.db2.gz AXSKTQVHOYZOLB-LBPRGKRZSA-N 2 1 230.421 2.237 20 0 BEADMP CC[C@H]1Cc2ccccc2C[N@@H+]1C[C@H](C)[NH3+] ZINC000420356966 192220120 /nfs/dbraw/zinc/22/01/20/192220120.db2.gz HIDGLPDBINMSMK-FZMZJTMJSA-N 2 1 218.344 2.171 20 0 BEADMP CC[C@H]1Cc2ccccc2C[N@H+]1C[C@H](C)[NH3+] ZINC000420356966 192220122 /nfs/dbraw/zinc/22/01/22/192220122.db2.gz HIDGLPDBINMSMK-FZMZJTMJSA-N 2 1 218.344 2.171 20 0 BEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCc1ccccc1 ZINC000420357829 192220181 /nfs/dbraw/zinc/22/01/81/192220181.db2.gz HVOPCRSYNSIIEJ-ZDUSSCGKSA-N 2 1 220.360 2.192 20 0 BEADMP Cc1ccc(CC[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420408094 192238891 /nfs/dbraw/zinc/23/88/91/192238891.db2.gz OWXZEAQXPHNQEF-ZBFHGGJFSA-N 2 1 246.398 2.454 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])cc1F ZINC000420415725 192241332 /nfs/dbraw/zinc/24/13/32/192241332.db2.gz VDEJXEXJHUWWKI-UWVGGRQHSA-N 2 1 210.296 2.132 20 0 BEADMP [NH3+]C[C@H]([NH2+]CC[C@H]1CCCO1)C1CCCCC1 ZINC000420381165 192233607 /nfs/dbraw/zinc/23/36/07/192233607.db2.gz YYGSPAPOVZAERE-KGLIPLIRSA-N 2 1 240.391 2.053 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CCC[C@@](C)(O)C2)c(C)n1 ZINC000639556290 356459308 /nfs/dbraw/zinc/45/93/08/356459308.db2.gz YJQMVZVZFAEDFO-OAHLLOKOSA-N 2 1 248.370 2.354 20 0 BEADMP C[C@H]1C[C@H]1C[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449777987 202032185 /nfs/dbraw/zinc/03/21/85/202032185.db2.gz AMGRYVQPHISKNE-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]1C[C@H]1C[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449777987 202032187 /nfs/dbraw/zinc/03/21/87/202032187.db2.gz AMGRYVQPHISKNE-RYUDHWBXSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CCO1 ZINC000449784180 202035154 /nfs/dbraw/zinc/03/51/54/202035154.db2.gz VSDLGHBFFXILKS-OLZOCXBDSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)CCO1 ZINC000449784180 202035156 /nfs/dbraw/zinc/03/51/56/202035156.db2.gz VSDLGHBFFXILKS-OLZOCXBDSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CCO1 ZINC000449784179 202036401 /nfs/dbraw/zinc/03/64/01/202036401.db2.gz VSDLGHBFFXILKS-CHWSQXEVSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)CCO1 ZINC000449784179 202036403 /nfs/dbraw/zinc/03/64/03/202036403.db2.gz VSDLGHBFFXILKS-CHWSQXEVSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1nc(C2CC2)cs1 ZINC000422925274 192509099 /nfs/dbraw/zinc/50/90/99/192509099.db2.gz ATYOXTCTMMBGSH-BDAKNGLRSA-N 2 1 239.388 2.236 20 0 BEADMP c1cc(N2CCC[N@H+](CCC3CC3)CC2)cc[nH+]1 ZINC000639683195 356593690 /nfs/dbraw/zinc/59/36/90/356593690.db2.gz ROERKDJELJLXNT-UHFFFAOYSA-N 2 1 245.370 2.394 20 0 BEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1C[C@H]1C ZINC000321069970 259468186 /nfs/dbraw/zinc/46/81/86/259468186.db2.gz KGEXTQKKCVOCPQ-SUNKGSAMSA-N 2 1 222.376 2.247 20 0 BEADMP CCC[N@H+]1CC[C@H](CNc2cc[nH+]c(CC)c2)C1 ZINC000450272333 202115609 /nfs/dbraw/zinc/11/56/09/202115609.db2.gz BGJNYBNNCRKACD-CYBMUJFWSA-N 2 1 247.386 2.210 20 0 BEADMP CC[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756256 356660684 /nfs/dbraw/zinc/66/06/84/356660684.db2.gz TUHJPGNBXDDEOM-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@H]1CC[N@@H+](Cc2ccsc2)C[C@@H]1C[NH3+] ZINC000167604273 134152924 /nfs/dbraw/zinc/15/29/24/134152924.db2.gz XKBUNVDUFAERAO-JQWIXIFHSA-N 2 1 224.373 2.165 20 0 BEADMP CCc1cc(N(C)C[C@@H]2CCC[N@@H+](C)C2)cc[nH+]1 ZINC000450333630 202131810 /nfs/dbraw/zinc/13/18/10/202131810.db2.gz QJLPMJXSXXSSDQ-CYBMUJFWSA-N 2 1 247.386 2.422 20 0 BEADMP C[C@H]1C[C@@H]1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757071 356663655 /nfs/dbraw/zinc/66/36/55/356663655.db2.gz FANOKISXSYABJS-QWHCGFSZSA-N 2 1 222.376 2.060 20 0 BEADMP C([NH2+][C@H]1CCC[NH2+]C1)C1CCCCCC1 ZINC000389460327 356680179 /nfs/dbraw/zinc/68/01/79/356680179.db2.gz JOZIUFIUMWGFQG-ZDUSSCGKSA-N 2 1 210.365 2.298 20 0 BEADMP C[C@H]1CCN(c2cc[nH+]cc2Cl)C[C@@H]1C[NH3+] ZINC000167687662 134154002 /nfs/dbraw/zinc/15/40/02/134154002.db2.gz KMNVXPKBCSTYRK-UWVGGRQHSA-N 2 1 239.750 2.156 20 0 BEADMP C[C@@H]1CCN(c2cc[nH+]cc2Cl)C[C@@H]1C[NH3+] ZINC000167687540 134154005 /nfs/dbraw/zinc/15/40/05/134154005.db2.gz KMNVXPKBCSTYRK-ZJUUUORDSA-N 2 1 239.750 2.156 20 0 BEADMP CC(C)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130158941 325019699 /nfs/dbraw/zinc/01/96/99/325019699.db2.gz YZWZUEDYMBGUHJ-YNEHKIRRSA-N 2 1 210.365 2.247 20 0 BEADMP CC(C)CC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758538 356668730 /nfs/dbraw/zinc/66/87/30/356668730.db2.gz ULMMJJWYDNJBMI-UHFFFAOYSA-N 2 1 224.392 2.450 20 0 BEADMP C[C@H]([NH2+]Cc1cc(C2CC2)ccc1F)C1C[NH2+]C1 ZINC000423145824 192586767 /nfs/dbraw/zinc/58/67/67/192586767.db2.gz MSOQDCWXGMGSNM-JTQLQIEISA-N 2 1 248.345 2.401 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccccn2)CC1(C)C ZINC000623336602 356724782 /nfs/dbraw/zinc/72/47/82/356724782.db2.gz ZFAYUOVVQDSOGJ-CQSZACIVSA-N 2 1 247.386 2.087 20 0 BEADMP C[N@@H+](CC1CC(F)(F)C1)C[C@@H]1CCC[NH+](C)C1 ZINC000450430637 202165828 /nfs/dbraw/zinc/16/58/28/202165828.db2.gz UAVKROHUMJEIFT-LLVKDONJSA-N 2 1 246.345 2.305 20 0 BEADMP C[NH+](CC1CC(F)(F)C1)C[C@@H]1CCC[N@H+](C)C1 ZINC000450430637 202165832 /nfs/dbraw/zinc/16/58/32/202165832.db2.gz UAVKROHUMJEIFT-LLVKDONJSA-N 2 1 246.345 2.305 20 0 BEADMP C[NH+](CC1CC(F)(F)C1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000450430637 202165835 /nfs/dbraw/zinc/16/58/35/202165835.db2.gz UAVKROHUMJEIFT-LLVKDONJSA-N 2 1 246.345 2.305 20 0 BEADMP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423155339 192594383 /nfs/dbraw/zinc/59/43/83/192594383.db2.gz IZIHXKAUWIWWMW-REWJHTLYSA-N 2 1 224.392 2.400 20 0 BEADMP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CC[NH3+])cc1 ZINC000423191508 192618132 /nfs/dbraw/zinc/61/81/32/192618132.db2.gz UIPFTRDQYXDTEW-UONOGXRCSA-N 2 1 218.344 2.179 20 0 BEADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623375492 356894762 /nfs/dbraw/zinc/89/47/62/356894762.db2.gz PZFTWUNHJZWXSK-AAEUAGOBSA-N 2 1 224.392 2.495 20 0 BEADMP C[NH2+]CCC[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000423207620 192627721 /nfs/dbraw/zinc/62/77/21/192627721.db2.gz XUXCZHOTYJURLA-LLVKDONJSA-N 2 1 238.379 2.033 20 0 BEADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@@H]1CCO[C@@H]1C ZINC000639865031 356955865 /nfs/dbraw/zinc/95/58/65/356955865.db2.gz NJJSVIFUMLGPKQ-OLZOCXBDSA-N 2 1 242.407 2.121 20 0 BEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@@H]1CCO[C@@H]1C ZINC000639865031 356955867 /nfs/dbraw/zinc/95/58/67/356955867.db2.gz NJJSVIFUMLGPKQ-OLZOCXBDSA-N 2 1 242.407 2.121 20 0 BEADMP CCCCOCC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000119592431 357029011 /nfs/dbraw/zinc/02/90/11/357029011.db2.gz SLKJOVXCXFVEHJ-KBPBESRZSA-N 2 1 242.407 2.123 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000389985076 357079150 /nfs/dbraw/zinc/07/91/50/357079150.db2.gz LQOQQENCGBIGTI-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP CC1CC[NH+](CCC[NH2+]CC2(F)CC2)CC1 ZINC000390487532 357096878 /nfs/dbraw/zinc/09/68/78/357096878.db2.gz PDKSBTFZLMKFJJ-UHFFFAOYSA-N 2 1 228.355 2.200 20 0 BEADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2ccccc21)C1CC1 ZINC000423266727 192661056 /nfs/dbraw/zinc/66/10/56/192661056.db2.gz CCTWOCXIUKEELU-ZIAGYGMSSA-N 2 1 216.328 2.001 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC000393802926 357300154 /nfs/dbraw/zinc/30/01/54/357300154.db2.gz UPCRDYUVFNVJHH-WCQYABFASA-N 2 1 224.392 2.352 20 0 BEADMP CCn1cc([C@H](C)[NH2+]CC([NH3+])(CC)CC)cn1 ZINC000423286740 192678217 /nfs/dbraw/zinc/67/82/17/192678217.db2.gz IMIVQHDGLVNKOY-NSHDSACASA-N 2 1 238.379 2.071 20 0 BEADMP CCc1[nH+]ccn1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000582787891 357394636 /nfs/dbraw/zinc/39/46/36/357394636.db2.gz AMBXWXUVLXIMHA-UHFFFAOYSA-N 2 1 241.338 2.140 20 0 BEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(F)c(F)cc1F ZINC000582845021 357415096 /nfs/dbraw/zinc/41/50/96/357415096.db2.gz ANVRWXGJMVPGSP-JGVFFNPUSA-N 2 1 246.276 2.319 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CC(C)(C)C1 ZINC000395193028 357416685 /nfs/dbraw/zinc/41/66/85/357416685.db2.gz ZCSATZOTOPTCNG-NQBHXWOUSA-N 2 1 224.392 2.493 20 0 BEADMP C[C@@H]1Cc2[nH+]cn(CC[C@H]3CC[NH2+]C3)c2C[C@H]1C ZINC000395776201 357456082 /nfs/dbraw/zinc/45/60/82/357456082.db2.gz AKKUMOAFQNUJHU-JHJVBQTASA-N 2 1 247.386 2.254 20 0 BEADMP Cc1ccc(C[N@@H+](C)CCC[NH3+])c(C)c1 ZINC000106887123 363586675 /nfs/dbraw/zinc/58/66/75/363586675.db2.gz YQZZQOKOTHSHOU-UHFFFAOYSA-N 2 1 206.333 2.084 20 0 BEADMP Cc1c[nH+]ccc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000191981518 357818608 /nfs/dbraw/zinc/81/86/08/357818608.db2.gz GURQRSSYGSKYPR-OLZOCXBDSA-N 2 1 231.343 2.063 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000168501640 134224770 /nfs/dbraw/zinc/22/47/70/134224770.db2.gz ZFGHCPBRMVQXCP-GHMZBOCLSA-N 2 1 224.373 2.226 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)o1 ZINC000168722534 134247456 /nfs/dbraw/zinc/24/74/56/134247456.db2.gz MHUJINZTCFBGGP-VXGBXAGGSA-N 2 1 222.332 2.381 20 0 BEADMP Cc1cccc(NC[C@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000037670766 358092112 /nfs/dbraw/zinc/09/21/12/358092112.db2.gz AOHMDDXXTMMKGZ-GFCCVEGCSA-N 2 1 231.343 2.286 20 0 BEADMP Cc1cccc(NC[C@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000037670766 358092113 /nfs/dbraw/zinc/09/21/13/358092113.db2.gz AOHMDDXXTMMKGZ-GFCCVEGCSA-N 2 1 231.343 2.286 20 0 BEADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C)(F)CC1 ZINC000640071370 358161104 /nfs/dbraw/zinc/16/11/04/358161104.db2.gz LBNUEPLYRQZMHT-UHFFFAOYSA-N 2 1 239.338 2.406 20 0 BEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)C2CC2)C1 ZINC000040621456 358243077 /nfs/dbraw/zinc/24/30/77/358243077.db2.gz AHDNCOBMGLDNLK-NWDGAFQWSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000223457381 358222255 /nfs/dbraw/zinc/22/22/55/358222255.db2.gz XZIQPSYCMVVNCT-TUAOUCFPSA-N 2 1 212.381 2.493 20 0 BEADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000223457381 358222256 /nfs/dbraw/zinc/22/22/56/358222256.db2.gz XZIQPSYCMVVNCT-TUAOUCFPSA-N 2 1 212.381 2.493 20 0 BEADMP C[Si](C)(C)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000172652041 134266978 /nfs/dbraw/zinc/26/69/78/134266978.db2.gz KDQXEIRTYYXFBK-ZDUSSCGKSA-N 2 1 240.467 2.282 20 0 BEADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CCS1 ZINC000248956056 358332803 /nfs/dbraw/zinc/33/28/03/358332803.db2.gz BMYJMQAULLPXID-CHWSQXEVSA-N 2 1 242.432 2.298 20 0 BEADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)CCS1 ZINC000248956056 358332809 /nfs/dbraw/zinc/33/28/09/358332809.db2.gz BMYJMQAULLPXID-CHWSQXEVSA-N 2 1 242.432 2.298 20 0 BEADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000043561502 358381759 /nfs/dbraw/zinc/38/17/59/358381759.db2.gz HHBOZYJSMKXNTH-LBPRGKRZSA-N 2 1 231.343 2.286 20 0 BEADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000043561502 358381761 /nfs/dbraw/zinc/38/17/61/358381761.db2.gz HHBOZYJSMKXNTH-LBPRGKRZSA-N 2 1 231.343 2.286 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1ccc(C2CC2)cc1 ZINC000227742911 358362809 /nfs/dbraw/zinc/36/28/09/358362809.db2.gz QYOUCNSCFVUPJS-UHFFFAOYSA-N 2 1 218.344 2.345 20 0 BEADMP C[C@@H]1CC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000227787114 358363524 /nfs/dbraw/zinc/36/35/24/358363524.db2.gz KCGJRBXBXVGYOR-UMSGYPCISA-N 2 1 240.391 2.015 20 0 BEADMP C[C@@H]1CC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000227787114 358363528 /nfs/dbraw/zinc/36/35/28/358363528.db2.gz KCGJRBXBXVGYOR-UMSGYPCISA-N 2 1 240.391 2.015 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(C)C)C1 ZINC000173884796 134278462 /nfs/dbraw/zinc/27/84/62/134278462.db2.gz RKOGXESOLJSIGM-ZDUSSCGKSA-N 2 1 212.381 2.306 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC000173884796 134278463 /nfs/dbraw/zinc/27/84/63/134278463.db2.gz RKOGXESOLJSIGM-ZDUSSCGKSA-N 2 1 212.381 2.306 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC000173884796 134278464 /nfs/dbraw/zinc/27/84/64/134278464.db2.gz RKOGXESOLJSIGM-ZDUSSCGKSA-N 2 1 212.381 2.306 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCCCOC)C1 ZINC000173924560 134276449 /nfs/dbraw/zinc/27/64/49/134276449.db2.gz WPDOTTRXRMDAHK-AWEZNQCLSA-N 2 1 242.407 2.077 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCCCOC)C1 ZINC000173924560 134276450 /nfs/dbraw/zinc/27/64/50/134276450.db2.gz WPDOTTRXRMDAHK-AWEZNQCLSA-N 2 1 242.407 2.077 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCCCOC)C1 ZINC000173924560 134276451 /nfs/dbraw/zinc/27/64/51/134276451.db2.gz WPDOTTRXRMDAHK-AWEZNQCLSA-N 2 1 242.407 2.077 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+]C2Cc3ccccc3C2)C1 ZINC000044533419 358390021 /nfs/dbraw/zinc/39/00/21/358390021.db2.gz ZXQMJJDWXIIQIJ-CYBMUJFWSA-N 2 1 244.382 2.085 20 0 BEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCOc1ccccc1 ZINC000131597807 358684575 /nfs/dbraw/zinc/68/45/75/358684575.db2.gz OOXZVUSMUMBUDU-KBPBESRZSA-N 2 1 248.370 2.125 20 0 BEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCOc1ccccc1 ZINC000131597386 358684719 /nfs/dbraw/zinc/68/47/19/358684719.db2.gz OOXZVUSMUMBUDU-UONOGXRCSA-N 2 1 248.370 2.125 20 0 BEADMP FCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000133004117 358743611 /nfs/dbraw/zinc/74/36/11/358743611.db2.gz DYABPCWGNZTDCB-CYBMUJFWSA-N 2 1 228.355 2.296 20 0 BEADMP Cc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000219836518 134292350 /nfs/dbraw/zinc/29/23/50/134292350.db2.gz RYRFEPQYAFWMQG-JSGCOSHPSA-N 2 1 218.344 2.164 20 0 BEADMP CCCC[C@@H](COC)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000133992880 358775372 /nfs/dbraw/zinc/77/53/72/358775372.db2.gz ABFZJAMJJCCBEU-RDBSUJKOSA-N 2 1 242.407 2.264 20 0 BEADMP CCCC[C@@H](COC)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000133992880 358775376 /nfs/dbraw/zinc/77/53/76/358775376.db2.gz ABFZJAMJJCCBEU-RDBSUJKOSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@H](CCC1CC1)[NH2+]CCc1c[nH+]cn1C ZINC000309591530 358878720 /nfs/dbraw/zinc/87/87/20/358878720.db2.gz UXEODQDDXSEKMG-LLVKDONJSA-N 2 1 221.348 2.131 20 0 BEADMP Cc1csc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000086404446 358968528 /nfs/dbraw/zinc/96/85/28/358968528.db2.gz VVAJEVPTIRXYPC-GARJFASQSA-N 2 1 239.388 2.372 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000396638402 358941231 /nfs/dbraw/zinc/94/12/31/358941231.db2.gz HFHSFEFSUZTZIA-APHBMKBZSA-N 2 1 244.382 2.274 20 0 BEADMP C[N@H+]1CC[C@@H]([NH2+]CCC2CC2)CC1(C)C ZINC000623432692 358946171 /nfs/dbraw/zinc/94/61/71/358946171.db2.gz FTEWZKWWZIRVHS-GFCCVEGCSA-N 2 1 210.365 2.249 20 0 BEADMP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC)CC2)CCO1 ZINC000070359239 359051237 /nfs/dbraw/zinc/05/12/37/359051237.db2.gz PBACJDDANWKGQG-KBPBESRZSA-N 2 1 240.391 2.018 20 0 BEADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423334862 192714414 /nfs/dbraw/zinc/71/44/14/192714414.db2.gz SVBUHGBKMRLPML-GRYCIOLGSA-N 2 1 236.359 2.124 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCCO1 ZINC000246480441 359116621 /nfs/dbraw/zinc/11/66/21/359116621.db2.gz RGGMWZABEGYHFN-CRWXNKLISA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCCO1 ZINC000246480441 359116625 /nfs/dbraw/zinc/11/66/25/359116625.db2.gz RGGMWZABEGYHFN-CRWXNKLISA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000070643345 359060642 /nfs/dbraw/zinc/06/06/42/359060642.db2.gz AQBRMURSNBXWDD-FRRDWIJNSA-N 2 1 222.376 2.249 20 0 BEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cncc(C)c2)[C@@H](C)C1 ZINC000246541908 359145446 /nfs/dbraw/zinc/14/54/46/359145446.db2.gz WAFVRMLEVLBYAQ-DZGCQCFKSA-N 2 1 247.386 2.210 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cncc(C)c2)[C@@H](C)C1 ZINC000246541908 359145448 /nfs/dbraw/zinc/14/54/48/359145448.db2.gz WAFVRMLEVLBYAQ-DZGCQCFKSA-N 2 1 247.386 2.210 20 0 BEADMP CCCC[C@H](COC)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247110123 359214230 /nfs/dbraw/zinc/21/42/30/359214230.db2.gz ABFZJAMJJCCBEU-BFHYXJOUSA-N 2 1 242.407 2.264 20 0 BEADMP CCCC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247110123 359214237 /nfs/dbraw/zinc/21/42/37/359214237.db2.gz ABFZJAMJJCCBEU-BFHYXJOUSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000423433343 192767531 /nfs/dbraw/zinc/76/75/31/192767531.db2.gz CFOPZZZHFGUMMZ-SUNKGSAMSA-N 2 1 236.359 2.472 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000423376721 192754497 /nfs/dbraw/zinc/75/44/97/192754497.db2.gz YMNQBTMLBFVBSO-ZZVYKPCYSA-N 2 1 222.376 2.153 20 0 BEADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000623436966 359329954 /nfs/dbraw/zinc/32/99/54/359329954.db2.gz LSXRXXOVEQABHH-QWHCGFSZSA-N 2 1 242.407 2.120 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3occc32)CC[NH2+]1 ZINC000423386541 192760690 /nfs/dbraw/zinc/76/06/90/192760690.db2.gz SBBAZIYPZJWULC-WZRBSPASSA-N 2 1 234.343 2.387 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000322057547 259488331 /nfs/dbraw/zinc/48/83/31/259488331.db2.gz QMAQMUYWPCSQNY-RVMXOQNASA-N 2 1 212.381 2.351 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000322057547 259488332 /nfs/dbraw/zinc/48/83/32/259488332.db2.gz QMAQMUYWPCSQNY-RVMXOQNASA-N 2 1 212.381 2.351 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H](CC)c1cccc(OC)c1 ZINC000423471075 192784661 /nfs/dbraw/zinc/78/46/61/192784661.db2.gz POAQMOVLZZIVPH-TZMCWYRMSA-N 2 1 236.359 2.473 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccccc1N(C)C ZINC000423472551 192785409 /nfs/dbraw/zinc/78/54/09/192785409.db2.gz QGPPNFUXJSXBPX-NEPJUHHUSA-N 2 1 235.375 2.141 20 0 BEADMP C[C@H]1C[C@H](C[N@H+]2CCSC[C@@H](C)C2)CC[NH2+]1 ZINC000379554243 359541662 /nfs/dbraw/zinc/54/16/62/359541662.db2.gz ZXCVMBKYZWSOOR-RWMBFGLXSA-N 2 1 242.432 2.059 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C2CC(C)C2)[C@H](C)C1 ZINC000130382058 359693251 /nfs/dbraw/zinc/69/32/51/359693251.db2.gz ZITIMHXPCDOWNA-KPFVRQRISA-N 2 1 210.365 2.105 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC23CC3)C1 ZINC000578454353 366573651 /nfs/dbraw/zinc/57/36/51/366573651.db2.gz XLDZAYNGWDHVOO-OLZOCXBDSA-N 2 1 222.376 2.251 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C(C)(C)C)C1 ZINC000163290869 202350659 /nfs/dbraw/zinc/35/06/59/202350659.db2.gz NHGVLOTUEQJQHI-RYUDHWBXSA-N 2 1 212.381 2.352 20 0 BEADMP CCC1(CC)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000087254658 359904391 /nfs/dbraw/zinc/90/43/91/359904391.db2.gz RMQPXKQDWQORGL-UHFFFAOYSA-N 2 1 224.392 2.498 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](F)C1 ZINC000451202934 202378038 /nfs/dbraw/zinc/37/80/38/202378038.db2.gz YGILEJFKLYVWMM-GFCCVEGCSA-N 2 1 225.311 2.016 20 0 BEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](F)C1 ZINC000451202934 202378042 /nfs/dbraw/zinc/37/80/42/202378042.db2.gz YGILEJFKLYVWMM-GFCCVEGCSA-N 2 1 225.311 2.016 20 0 BEADMP CC[C@H](COC)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164230 359939091 /nfs/dbraw/zinc/93/90/91/359939091.db2.gz RZPJPGUREFEPIF-RLAWYHOSSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@H](COC)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164230 359939093 /nfs/dbraw/zinc/93/90/93/359939093.db2.gz RZPJPGUREFEPIF-RLAWYHOSSA-N 2 1 240.391 2.016 20 0 BEADMP CCCC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000090402162 360072355 /nfs/dbraw/zinc/07/23/55/360072355.db2.gz HHUHOUJKNOHLQW-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP Cc1ncccc1CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253878 360158922 /nfs/dbraw/zinc/15/89/22/360158922.db2.gz NOBYXWKNHJFGIT-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP Cc1ncccc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000092253878 360158927 /nfs/dbraw/zinc/15/89/27/360158927.db2.gz NOBYXWKNHJFGIT-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP Cc1ncccc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000092253878 360158928 /nfs/dbraw/zinc/15/89/28/360158928.db2.gz NOBYXWKNHJFGIT-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP Cc1ncccc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000092253878 360158932 /nfs/dbraw/zinc/15/89/32/360158932.db2.gz NOBYXWKNHJFGIT-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP Cc1ncccc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253878 360158936 /nfs/dbraw/zinc/15/89/36/360158936.db2.gz NOBYXWKNHJFGIT-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP c1ccc([C@@H]2CC[N@@H+]2C2CC[NH2+]CC2)cc1 ZINC000141962069 360461598 /nfs/dbraw/zinc/46/15/98/360461598.db2.gz FNHCIWSEFQNPSP-AWEZNQCLSA-N 2 1 216.328 2.185 20 0 BEADMP CC1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000161779068 360552663 /nfs/dbraw/zinc/55/26/63/360552663.db2.gz YACIYMGCMGWNQR-POOIEITISA-N 2 1 208.349 2.001 20 0 BEADMP CC1(C)C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156074107 360946179 /nfs/dbraw/zinc/94/61/79/360946179.db2.gz JDGVJWITKWXVMH-TUAOUCFPSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CC2CCCC2)CC[N@H+]1C ZINC000155880622 360932737 /nfs/dbraw/zinc/93/27/37/360932737.db2.gz LRDUKCGLVODQIS-WCQYABFASA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H](CCc1ccsc1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629407529 361055621 /nfs/dbraw/zinc/05/56/21/361055621.db2.gz CUYKJJWUSQKSMJ-GMXVVIOVSA-N 2 1 238.400 2.409 20 0 BEADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629407318 361056001 /nfs/dbraw/zinc/05/60/01/361056001.db2.gz XPUYVKSPNZJKKX-UHIISALHSA-N 2 1 236.334 2.097 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000309676684 491153959 /nfs/dbraw/zinc/15/39/59/491153959.db2.gz LZQRZICXZAOHLR-IACUBPJLSA-N 2 1 224.392 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000309676684 491153960 /nfs/dbraw/zinc/15/39/60/491153960.db2.gz LZQRZICXZAOHLR-IACUBPJLSA-N 2 1 224.392 2.493 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)[C@H](C)c1ccccc1 ZINC000629409639 361058585 /nfs/dbraw/zinc/05/85/85/361058585.db2.gz LVOQYWONSFTLSS-OUCADQQQSA-N 2 1 218.344 2.130 20 0 BEADMP CC[C@H](C[NH2+][C@@H](C)C[NH3+])c1ccccc1 ZINC000161997218 361074438 /nfs/dbraw/zinc/07/44/38/361074438.db2.gz UGDLPLMACHWCGH-NWDGAFQWSA-N 2 1 206.333 2.117 20 0 BEADMP CCO[C@@H](C[N@H+]1CCCC[C@@H]1CC[NH3+])C1CC1 ZINC000629531656 361149043 /nfs/dbraw/zinc/14/90/43/361149043.db2.gz SUIWLOSJSLONAX-KGLIPLIRSA-N 2 1 240.391 2.005 20 0 BEADMP COC[C@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533516 361301225 /nfs/dbraw/zinc/30/12/25/361301225.db2.gz UFFIXPNEXTUDKP-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP COCCC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530283 361301261 /nfs/dbraw/zinc/30/12/61/361301261.db2.gz BAOXYODUMZPCFF-UHFFFAOYSA-N 2 1 242.407 2.221 20 0 BEADMP CO[C@@H](C)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533869 361301673 /nfs/dbraw/zinc/30/16/73/361301673.db2.gz XTSKCURUBLDNMR-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP COc1ccc(F)c(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000622043634 370673965 /nfs/dbraw/zinc/67/39/65/370673965.db2.gz GKIAQKWPVHKEPH-VHSXEESVSA-N 2 1 240.322 2.050 20 0 BEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000429528147 201112384 /nfs/dbraw/zinc/11/23/84/201112384.db2.gz IPAWIRWBVBRHLC-CYBMUJFWSA-N 2 1 210.365 2.203 20 0 BEADMP [NH3+]C1(CNc2cc[nH+]cc2Cl)CCC1 ZINC000236193698 181332805 /nfs/dbraw/zinc/33/28/05/181332805.db2.gz SAOSFFDZAHQYLN-UHFFFAOYSA-N 2 1 211.696 2.028 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC23CCC3)C[NH2+]1 ZINC000629538814 361403959 /nfs/dbraw/zinc/40/39/59/361403959.db2.gz LGZYTGISQNGURM-UPJWGTAASA-N 2 1 222.376 2.439 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)C[NH2+]1 ZINC000629542618 361420797 /nfs/dbraw/zinc/42/07/97/361420797.db2.gz HCVFLMLLGOYKLK-YPMHNXCESA-N 2 1 222.376 2.439 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C1CCSCC1 ZINC000629543349 361421504 /nfs/dbraw/zinc/42/15/04/361421504.db2.gz YYDYNPNUHGQMML-NTZNESFSSA-N 2 1 242.432 2.248 20 0 BEADMP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629546727 361429677 /nfs/dbraw/zinc/42/96/77/361429677.db2.gz XQDLRDILEOXGCU-COPLHBTASA-N 2 1 236.334 2.097 20 0 BEADMP C[C@H]1CCC[C@H](CC[N@@H+](C)CCOCC[NH3+])C1 ZINC000629576872 361468263 /nfs/dbraw/zinc/46/82/63/361468263.db2.gz DRTBLMQPXGDSLA-UONOGXRCSA-N 2 1 242.407 2.110 20 0 BEADMP CCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629567151 361456995 /nfs/dbraw/zinc/45/69/95/361456995.db2.gz WYTMXXXWRGYDPO-NXEZZACHSA-N 2 1 238.297 2.246 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C(C)(C)C ZINC000152459489 201200957 /nfs/dbraw/zinc/20/09/57/201200957.db2.gz VGHMXPUWMHNNPU-NWDGAFQWSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)C[C@H](C)C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629660066 361564517 /nfs/dbraw/zinc/56/45/17/361564517.db2.gz NDLPBLUVMMBSCS-XQQFMLRXSA-N 2 1 212.381 2.399 20 0 BEADMP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@H](C)C1(F)F ZINC000629649981 361546732 /nfs/dbraw/zinc/54/67/32/361546732.db2.gz MWPMTDCBVGJAAY-GRYCIOLGSA-N 2 1 246.345 2.209 20 0 BEADMP C[N@@H+](CCCC1CCCCC1)CCOCC[NH3+] ZINC000629663244 361595901 /nfs/dbraw/zinc/59/59/01/361595901.db2.gz HZDJJCDRWKXZSQ-UHFFFAOYSA-N 2 1 242.407 2.254 20 0 BEADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000629672281 361613890 /nfs/dbraw/zinc/61/38/90/361613890.db2.gz QDQGJUIXZXANQP-CYUUQNCZSA-N 2 1 230.355 2.130 20 0 BEADMP [NH3+]CC(F)(F)c1ccc(C2=CC[NH2+]CC2)cc1 ZINC000629723540 361664897 /nfs/dbraw/zinc/66/48/97/361664897.db2.gz OQPDPCWPDMSCJR-UHFFFAOYSA-N 2 1 238.281 2.114 20 0 BEADMP C[NH2+]CCC[N@H+](CCC(F)(F)F)CC1CC1 ZINC000435886616 201295932 /nfs/dbraw/zinc/29/59/32/201295932.db2.gz ZRBOGVIEYIJQTM-UHFFFAOYSA-N 2 1 238.297 2.260 20 0 BEADMP C[NH2+]CCC[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000435886616 201295935 /nfs/dbraw/zinc/29/59/35/201295935.db2.gz ZRBOGVIEYIJQTM-UHFFFAOYSA-N 2 1 238.297 2.260 20 0 BEADMP C[NH2+]CCC[N@H+](Cc1ccc(OC)cc1)C1CC1 ZINC000435871862 201293275 /nfs/dbraw/zinc/29/32/75/201293275.db2.gz VIQMCDJBBHJFGR-UHFFFAOYSA-N 2 1 248.370 2.269 20 0 BEADMP C[NH2+]CCC[N@@H+](Cc1ccc(OC)cc1)C1CC1 ZINC000435871862 201293278 /nfs/dbraw/zinc/29/32/78/201293278.db2.gz VIQMCDJBBHJFGR-UHFFFAOYSA-N 2 1 248.370 2.269 20 0 BEADMP C[NH2+]CCC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000435873318 201293460 /nfs/dbraw/zinc/29/34/60/201293460.db2.gz CNFPERMTCGDUSF-UHFFFAOYSA-N 2 1 236.334 2.400 20 0 BEADMP C[NH2+]CCC[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000435873318 201293463 /nfs/dbraw/zinc/29/34/63/201293463.db2.gz CNFPERMTCGDUSF-UHFFFAOYSA-N 2 1 236.334 2.400 20 0 BEADMP C[NH2+]CCC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000435880142 201293861 /nfs/dbraw/zinc/29/38/61/201293861.db2.gz NOGYXIYAAPBKKE-OAHLLOKOSA-N 2 1 232.371 2.161 20 0 BEADMP C[NH2+]CCC[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000435871730 201294110 /nfs/dbraw/zinc/29/41/10/201294110.db2.gz LJDMVYQHYQLNOR-DZGCQCFKSA-N 2 1 232.371 2.474 20 0 BEADMP Cc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cn1 ZINC000155448517 201333340 /nfs/dbraw/zinc/33/33/40/201333340.db2.gz IJHBAMRFASDFDT-ZDUSSCGKSA-N 2 1 247.386 2.212 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C)C[NH2+]1 ZINC000398959296 364279817 /nfs/dbraw/zinc/27/98/17/364279817.db2.gz KZVKDWZGOLKRRQ-NDBYEHHHSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000398958528 364280530 /nfs/dbraw/zinc/28/05/30/364280530.db2.gz KHFMBHIDFPGSFM-FVCCEPFGSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@@H](C2CC2)C2CCC2)C[NH2+]1 ZINC000399035032 364737665 /nfs/dbraw/zinc/73/76/65/364737665.db2.gz NOMZRUAOFUZCJC-LERXQTSPSA-N 2 1 222.376 2.295 20 0 BEADMP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000399029171 364727471 /nfs/dbraw/zinc/72/74/71/364727471.db2.gz IPULBXDGYWRREQ-LOWDOPEQSA-N 2 1 210.365 2.295 20 0 BEADMP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399029173 364728225 /nfs/dbraw/zinc/72/82/25/364728225.db2.gz IPULBXDGYWRREQ-LPWJVIDDSA-N 2 1 210.365 2.295 20 0 BEADMP CCc1cc(NCC2([NH+](C)C)CCC2)nc(C)[nH+]1 ZINC000097934124 541394068 /nfs/dbraw/zinc/39/40/68/541394068.db2.gz LKRYRRDJOOWJET-UHFFFAOYSA-N 2 1 248.374 2.244 20 0 BEADMP [NH3+]CCCC[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000036826511 181376674 /nfs/dbraw/zinc/37/66/74/181376674.db2.gz WRNWAXPGEMRLNZ-OLZOCXBDSA-N 2 1 210.365 2.380 20 0 BEADMP C[C@H](C[N@@H+](C)CCC[NH3+])c1ccc(F)cc1 ZINC000574277868 365026162 /nfs/dbraw/zinc/02/61/62/365026162.db2.gz VDEGMHSNZZHNBV-LLVKDONJSA-N 2 1 224.323 2.210 20 0 BEADMP [NH3+]CC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000037712966 181397899 /nfs/dbraw/zinc/39/78/99/181397899.db2.gz WSIHFHHYIQOIDR-ZIAGYGMSSA-N 2 1 218.344 2.261 20 0 BEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000575197935 365238410 /nfs/dbraw/zinc/23/84/10/365238410.db2.gz RJOHMYOFTQJNCL-BYNSBNAKSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@H]1CCCO1 ZINC000182264468 366879077 /nfs/dbraw/zinc/87/90/77/366879077.db2.gz OPIULKKYDMHDCR-MELADBBJSA-N 2 1 240.391 2.018 20 0 BEADMP CC(C)[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C1CC1 ZINC000399083607 365400536 /nfs/dbraw/zinc/40/05/36/365400536.db2.gz SXRXRLSJNMHFHR-WXHSDQCUSA-N 2 1 210.365 2.151 20 0 BEADMP C[N@H+](C/C=C/c1ccc(F)cc1F)CCC[NH3+] ZINC000579711712 366987808 /nfs/dbraw/zinc/98/78/08/366987808.db2.gz GGHVXACHMBSYGF-DUXPYHPUSA-N 2 1 240.297 2.259 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1c[nH+]ccc1N ZINC000579822512 367024341 /nfs/dbraw/zinc/02/43/41/367024341.db2.gz XNLZXMSECIRUHK-DLOVCJGASA-N 2 1 231.343 2.191 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC2(CCC2)C1 ZINC000380523124 367228878 /nfs/dbraw/zinc/22/88/78/367228878.db2.gz UNAJXPIFLYKSDS-GFCCVEGCSA-N 2 1 210.365 2.236 20 0 BEADMP C[N@H+]1CCCC[C@@H]1CC[NH2+]C1(C2CC2)CC1 ZINC000381324237 367381692 /nfs/dbraw/zinc/38/16/92/367381692.db2.gz QCTMYFRURAQWFW-CYBMUJFWSA-N 2 1 222.376 2.393 20 0 BEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C2CCC2)C1 ZINC000381465738 367410814 /nfs/dbraw/zinc/41/08/14/367410814.db2.gz LDDZZYCVWBMIAG-STQMWFEESA-N 2 1 224.392 2.495 20 0 BEADMP COc1ccccc1[C@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000382563368 367541442 /nfs/dbraw/zinc/54/14/42/367541442.db2.gz ZPZNMPZCMZMXFL-LBPRGKRZSA-N 2 1 248.370 2.488 20 0 BEADMP CCCOc1ccc(C[NH2+]C[C@@H]([NH3+])CC)cc1 ZINC000581476228 367509028 /nfs/dbraw/zinc/50/90/28/367509028.db2.gz LQHPTDYMJXRSDJ-ZDUSSCGKSA-N 2 1 236.359 2.302 20 0 BEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CC(C)(C)C1 ZINC000382440719 367523182 /nfs/dbraw/zinc/52/31/82/367523182.db2.gz TYYBCXBXNXTOOW-JQWIXIFHSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CC(C)(C)C1 ZINC000382440719 367523186 /nfs/dbraw/zinc/52/31/86/367523186.db2.gz TYYBCXBXNXTOOW-JQWIXIFHSA-N 2 1 210.365 2.105 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000383471216 367626300 /nfs/dbraw/zinc/62/63/00/367626300.db2.gz PNWZBRBSNZWXBQ-UKRRQHHQSA-N 2 1 232.371 2.412 20 0 BEADMP CCC[C@H](C)[C@H]1CCC[N@H+]1CCC[NH2+]C ZINC000581612322 367634765 /nfs/dbraw/zinc/63/47/65/367634765.db2.gz LVGZUFLGDTUUPD-QWHCGFSZSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000384156542 367673144 /nfs/dbraw/zinc/67/31/44/367673144.db2.gz LPKOOOMJKVLJIL-AAVRWANBSA-N 2 1 224.392 2.495 20 0 BEADMP C[N@@H+](CCSc1ccccc1)C1CC([NH3+])C1 ZINC000385012345 367772821 /nfs/dbraw/zinc/77/28/21/367772821.db2.gz NMBWQBAKYJKURR-UHFFFAOYSA-N 2 1 236.384 2.200 20 0 BEADMP CC/C=C\C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000384866943 367746360 /nfs/dbraw/zinc/74/63/60/367746360.db2.gz NZEHXOUCVMZTQD-JIWOSTRHSA-N 2 1 210.365 2.271 20 0 BEADMP C[N@@H+](C/C=C\c1ccccc1)C1CC([NH3+])C1 ZINC000384876246 367749460 /nfs/dbraw/zinc/74/94/60/367749460.db2.gz PQFNGTMUXYLIIP-YVMONPNESA-N 2 1 216.328 2.121 20 0 BEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C/C=C\c3ccccc3)C[C@@H]12 ZINC000385774193 367863369 /nfs/dbraw/zinc/86/33/69/367863369.db2.gz WEYFXHHMOUYZGT-ZLPVVSKCSA-N 2 1 242.366 2.369 20 0 BEADMP COc1ccccc1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000385844201 367869939 /nfs/dbraw/zinc/86/99/39/367869939.db2.gz SZORJOODKBRPOT-IUODEOHRSA-N 2 1 248.370 2.112 20 0 BEADMP CSCC1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000385352941 367821831 /nfs/dbraw/zinc/82/18/31/367821831.db2.gz FUHWCGCKEOBAHF-BPCQOVAHSA-N 2 1 242.432 2.250 20 0 BEADMP C[C@H]([N@@H+](C)CC[C@@H]1CCC[NH2+]C1)C1(C)CC1 ZINC000385417292 367827352 /nfs/dbraw/zinc/82/73/52/367827352.db2.gz ZHKIHCMJHOJTFF-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCSCC[C@@H]1C ZINC000385506792 367838348 /nfs/dbraw/zinc/83/83/48/367838348.db2.gz MKLRRJFWRCSFEE-NWDGAFQWSA-N 2 1 230.421 2.187 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCSCC[C@@H]1C ZINC000385506792 367838354 /nfs/dbraw/zinc/83/83/54/367838354.db2.gz MKLRRJFWRCSFEE-NWDGAFQWSA-N 2 1 230.421 2.187 20 0 BEADMP C[C@@H]([NH2+]CCC(C)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000386047413 367903881 /nfs/dbraw/zinc/90/38/81/367903881.db2.gz URHOPMCPHCTSSN-ZJUUUORDSA-N 2 1 220.307 2.152 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2[NH2+]CCCC2(C)C)[C@@H]1C ZINC000386192127 367927651 /nfs/dbraw/zinc/92/76/51/367927651.db2.gz DPIMOTBVENEMIT-NDBYEHHHSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCCSC1)[C@H]1CCCC[NH2+]1 ZINC000386548915 367990358 /nfs/dbraw/zinc/99/03/58/367990358.db2.gz GMCNBOHMFLGPMO-QJPTWQEYSA-N 2 1 228.405 2.002 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+](CC(F)F)C2CC2)CC[NH2+]1 ZINC000386979904 368040788 /nfs/dbraw/zinc/04/07/88/368040788.db2.gz ZKGMYJMZTASEDK-ZJUUUORDSA-N 2 1 232.318 2.104 20 0 BEADMP C[C@@H]1C[C@@H](C[N@@H+](CC(F)F)C2CC2)CC[NH2+]1 ZINC000386979904 368040795 /nfs/dbraw/zinc/04/07/95/368040795.db2.gz ZKGMYJMZTASEDK-ZJUUUORDSA-N 2 1 232.318 2.104 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)[C@H]1CCC[NH2+]1 ZINC000567102613 326115992 /nfs/dbraw/zinc/11/59/92/326115992.db2.gz WPTAGDQTUUEHOP-DMDPSCGWSA-N 2 1 238.400 2.409 20 0 BEADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cccnc2)C1 ZINC000072858211 368782865 /nfs/dbraw/zinc/78/28/65/368782865.db2.gz NFTPFXPBLVSPAJ-KBPBESRZSA-N 2 1 247.386 2.416 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cccnc2)C1 ZINC000072858211 368782868 /nfs/dbraw/zinc/78/28/68/368782868.db2.gz NFTPFXPBLVSPAJ-KBPBESRZSA-N 2 1 247.386 2.416 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2cccnc2)C1 ZINC000072858211 368782869 /nfs/dbraw/zinc/78/28/69/368782869.db2.gz NFTPFXPBLVSPAJ-KBPBESRZSA-N 2 1 247.386 2.416 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2cccnc2)C1 ZINC000072858211 368782872 /nfs/dbraw/zinc/78/28/72/368782872.db2.gz NFTPFXPBLVSPAJ-KBPBESRZSA-N 2 1 247.386 2.416 20 0 BEADMP Cc1cc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c(C)n1 ZINC000631821611 368973185 /nfs/dbraw/zinc/97/31/85/368973185.db2.gz DGOPOYZBPSHHRH-ABAIWWIYSA-N 2 1 247.386 2.176 20 0 BEADMP C[N@H+]1CCCC[C@H](C[NH2+]CC2(C)CCC2)C1 ZINC000623656911 368995633 /nfs/dbraw/zinc/99/56/33/368995633.db2.gz FLDYARZZRAGUFB-CYBMUJFWSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@H]1C[C@H]1C ZINC000623657270 368997781 /nfs/dbraw/zinc/99/77/81/368997781.db2.gz MNZNXGOUYWTIMB-MQYQWHSLSA-N 2 1 224.392 2.352 20 0 BEADMP CC[C@H](C)C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657781 368998967 /nfs/dbraw/zinc/99/89/67/368998967.db2.gz YXPRIKOCMUWOGH-STQMWFEESA-N 2 1 212.381 2.354 20 0 BEADMP Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)o1 ZINC000623654525 368990030 /nfs/dbraw/zinc/99/00/30/368990030.db2.gz BJMHIZXADHWSSQ-ZDUSSCGKSA-N 2 1 236.359 2.410 20 0 BEADMP Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)o1 ZINC000623654525 368990034 /nfs/dbraw/zinc/99/00/34/368990034.db2.gz BJMHIZXADHWSSQ-ZDUSSCGKSA-N 2 1 236.359 2.410 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000631827045 368991005 /nfs/dbraw/zinc/99/10/05/368991005.db2.gz DDQAWEPCCKRAFV-WISYIIOYSA-N 2 1 246.345 2.398 20 0 BEADMP C[N@H+]1CCCC[C@@H](C[NH2+]CC(C)(C)C)C1 ZINC000623656520 368992764 /nfs/dbraw/zinc/99/27/64/368992764.db2.gz VYVWTDRIHWTFJI-LBPRGKRZSA-N 2 1 212.381 2.354 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000623656019 368993579 /nfs/dbraw/zinc/99/35/79/368993579.db2.gz LBWDAIHWDVZINL-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP Cc1ccccc1C[N@H+](C)CCc1cncn1C ZINC000459285970 203246661 /nfs/dbraw/zinc/24/66/61/203246661.db2.gz CPTXTCSOYLVNDC-UHFFFAOYSA-N 2 1 243.354 2.403 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459732734 203344886 /nfs/dbraw/zinc/34/48/86/203344886.db2.gz MSQMRISNRYGPIN-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccco2)C1 ZINC000459731310 203345384 /nfs/dbraw/zinc/34/53/84/203345384.db2.gz LKRNUWPVKGHLLU-GFCCVEGCSA-N 2 1 222.332 2.101 20 0 BEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000459737332 203346284 /nfs/dbraw/zinc/34/62/84/203346284.db2.gz QYFSBWACOJJVCO-KBPBESRZSA-N 2 1 247.386 2.464 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631862150 369481569 /nfs/dbraw/zinc/48/15/69/369481569.db2.gz MATBBMQEFCKXRN-AEJSXWLSSA-N 2 1 220.307 2.089 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631862150 369481572 /nfs/dbraw/zinc/48/15/72/369481572.db2.gz MATBBMQEFCKXRN-AEJSXWLSSA-N 2 1 220.307 2.089 20 0 BEADMP CC1(C)CC(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000631889446 370976010 /nfs/dbraw/zinc/97/60/10/370976010.db2.gz GHLORJRQVBYHBA-KGLIPLIRSA-N 2 1 236.403 2.497 20 0 BEADMP CC1(C)CC(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000631889446 370976014 /nfs/dbraw/zinc/97/60/14/370976014.db2.gz GHLORJRQVBYHBA-KGLIPLIRSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1ncccc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459738459 203350365 /nfs/dbraw/zinc/35/03/65/203350365.db2.gz RUAMNXNLQSRODL-CQSZACIVSA-N 2 1 247.386 2.212 20 0 BEADMP Cc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])ccn1 ZINC000621775664 370522704 /nfs/dbraw/zinc/52/27/04/370522704.db2.gz WCDDWMFKCVEZEV-CQSZACIVSA-N 2 1 233.359 2.093 20 0 BEADMP Cc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])ccn1 ZINC000621776328 370524661 /nfs/dbraw/zinc/52/46/61/370524661.db2.gz JCDVDBSOLBTJKP-WFASDCNBSA-N 2 1 247.386 2.339 20 0 BEADMP Cc1ccc(CC[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000621782843 370531800 /nfs/dbraw/zinc/53/18/00/370531800.db2.gz TVGOQMRIPVEGAX-CVEARBPZSA-N 2 1 244.382 2.351 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CCC1 ZINC000624121366 371322864 /nfs/dbraw/zinc/32/28/64/371322864.db2.gz UTCUETFJAMOVIR-CHWSQXEVSA-N 2 1 224.392 2.497 20 0 BEADMP COC(C)(C)[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123197 371324436 /nfs/dbraw/zinc/32/44/36/371324436.db2.gz HSICNQFWVAIFLH-QWHCGFSZSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)[C@H]1C ZINC000624124121 371324904 /nfs/dbraw/zinc/32/49/04/371324904.db2.gz XTDSHSXYNFRKQQ-RQJABVFESA-N 2 1 224.392 2.352 20 0 BEADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CC(C)(C)C2)C1 ZINC000624123450 371325210 /nfs/dbraw/zinc/32/52/10/371325210.db2.gz MDTSSDGUHJLHKU-LBPRGKRZSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC2(CCC2)C1 ZINC000162256840 371641142 /nfs/dbraw/zinc/64/11/42/371641142.db2.gz IRTCYPVMGRGTSZ-CYBMUJFWSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC2(CCC2)C1 ZINC000162256840 371641149 /nfs/dbraw/zinc/64/11/49/371641149.db2.gz IRTCYPVMGRGTSZ-CYBMUJFWSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC2(CCC2)C1 ZINC000162256840 371641155 /nfs/dbraw/zinc/64/11/55/371641155.db2.gz IRTCYPVMGRGTSZ-CYBMUJFWSA-N 2 1 222.376 2.347 20 0 BEADMP Cc1cc(C[NH2+]CCc2c[nH+]cn2C)ccc1F ZINC000401797593 371820315 /nfs/dbraw/zinc/82/03/15/371820315.db2.gz ZPXQCFRFAWBHPM-UHFFFAOYSA-N 2 1 247.317 2.200 20 0 BEADMP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000631260837 372267485 /nfs/dbraw/zinc/26/74/85/372267485.db2.gz DMTPZAURYGJJCL-GWOFURMSSA-N 2 1 248.292 2.154 20 0 BEADMP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000631260837 372267486 /nfs/dbraw/zinc/26/74/86/372267486.db2.gz DMTPZAURYGJJCL-GWOFURMSSA-N 2 1 248.292 2.154 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2CCCc3ncccc32)CC1 ZINC000631564593 372427890 /nfs/dbraw/zinc/42/78/90/372427890.db2.gz UWWTXOXHBBWFNP-HNNXBMFYSA-N 2 1 245.370 2.143 20 0 BEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000631827869 372607904 /nfs/dbraw/zinc/60/79/04/372607904.db2.gz YHWRFBCNFZOLEX-UWVGGRQHSA-N 2 1 234.334 2.385 20 0 BEADMP FC1(F)CC[C@@H](C[NH+]2CCC3(CC[NH2+]3)CC2)C1 ZINC000631828319 372609464 /nfs/dbraw/zinc/60/94/64/372609464.db2.gz LPUBPCLMBOSZGC-LLVKDONJSA-N 2 1 244.329 2.250 20 0 BEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@@H]1CCC(F)(F)C1)C2 ZINC000631829878 372613023 /nfs/dbraw/zinc/61/30/23/372613023.db2.gz CLTHGTRRPQQNHL-UTUOFQBUSA-N 2 1 244.329 2.235 20 0 BEADMP CCO[C@@H](C[N@H+]1CCCCC[C@H]([NH3+])C1)C1CC1 ZINC000631835332 372622248 /nfs/dbraw/zinc/62/22/48/372622248.db2.gz SAWBHTAUXOWYSQ-KBPBESRZSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C[NH3+] ZINC000631837295 372626976 /nfs/dbraw/zinc/62/69/76/372626976.db2.gz ADCWMLSDGJHGNN-MLGOLLRUSA-N 2 1 244.382 2.202 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1C ZINC000631837643 372629870 /nfs/dbraw/zinc/62/98/70/372629870.db2.gz DMPVVFJVZVNNRC-DZGCQCFKSA-N 2 1 232.371 2.330 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCCc1cccc(F)c1 ZINC000631860629 372660143 /nfs/dbraw/zinc/66/01/43/372660143.db2.gz MCOZZZHTPBMMIP-RISCZKNCSA-N 2 1 236.334 2.180 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCCc1cccc(F)c1 ZINC000631860629 372660146 /nfs/dbraw/zinc/66/01/46/372660146.db2.gz MCOZZZHTPBMMIP-RISCZKNCSA-N 2 1 236.334 2.180 20 0 BEADMP Cc1cc(C)c(C[NH+]2CCC(C)([NH3+])CC2)c(C)n1 ZINC000631824605 372603758 /nfs/dbraw/zinc/60/37/58/372603758.db2.gz LIKCSAJSHCZBSR-UHFFFAOYSA-N 2 1 247.386 2.320 20 0 BEADMP CCCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631883943 372679265 /nfs/dbraw/zinc/67/92/65/372679265.db2.gz DQVZBBFVKZTZSK-CHWSQXEVSA-N 2 1 210.365 2.251 20 0 BEADMP CCCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631883943 372679270 /nfs/dbraw/zinc/67/92/70/372679270.db2.gz DQVZBBFVKZTZSK-CHWSQXEVSA-N 2 1 210.365 2.251 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887535 372681414 /nfs/dbraw/zinc/68/14/14/372681414.db2.gz NVKONUTZIAXXLH-RWMBFGLXSA-N 2 1 210.365 2.106 20 0 BEADMP CC[NH+]1CCC([NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000070359234 374137778 /nfs/dbraw/zinc/13/77/78/374137778.db2.gz GRYZFBHGHGTINT-CYBMUJFWSA-N 2 1 240.391 2.018 20 0 BEADMP CCc1cccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000420307791 206024343 /nfs/dbraw/zinc/02/43/43/206024343.db2.gz CLLGXNGOGBVXLF-HNNXBMFYSA-N 2 1 232.371 2.420 20 0 BEADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@]1(F)c1ccccc1 ZINC000424381113 206039136 /nfs/dbraw/zinc/03/91/36/206039136.db2.gz YFRXKYBDNYMWRR-MHEUCROKSA-N 2 1 248.345 2.341 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CCC1 ZINC000156880913 206078923 /nfs/dbraw/zinc/07/89/23/206078923.db2.gz OPIWKEYDFFVUAA-GMXVVIOVSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCC1 ZINC000156880913 206078927 /nfs/dbraw/zinc/07/89/27/206078927.db2.gz OPIWKEYDFFVUAA-GMXVVIOVSA-N 2 1 210.365 2.247 20 0 BEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)C(C)C ZINC000167306594 206143436 /nfs/dbraw/zinc/14/34/36/206143436.db2.gz SIAQOTCTOAKVRD-NWDGAFQWSA-N 2 1 223.364 2.462 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)C(C)C ZINC000167306496 206144077 /nfs/dbraw/zinc/14/40/77/206144077.db2.gz SIAQOTCTOAKVRD-NEPJUHHUSA-N 2 1 223.364 2.462 20 0 BEADMP CCC[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346222396 169081577 /nfs/dbraw/zinc/08/15/77/169081577.db2.gz SITUBSBLXVJARE-UHFFFAOYSA-N 2 1 244.342 2.418 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CC[C@H]1CC ZINC000336756112 169122522 /nfs/dbraw/zinc/12/25/22/169122522.db2.gz IKCBZDWUNQABCN-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CC[C@H]1CC ZINC000336756112 169122523 /nfs/dbraw/zinc/12/25/23/169122523.db2.gz IKCBZDWUNQABCN-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000356878279 169124108 /nfs/dbraw/zinc/12/41/08/169124108.db2.gz SRKVGKDZCPNCAW-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000356878279 169124111 /nfs/dbraw/zinc/12/41/11/169124111.db2.gz SRKVGKDZCPNCAW-KGLIPLIRSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]CC(C)(C)COC ZINC000353058075 169124644 /nfs/dbraw/zinc/12/46/44/169124644.db2.gz CIXWUCICPRGTGY-CYBMUJFWSA-N 2 1 244.423 2.369 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]CC(C)(C)COC ZINC000353058075 169124645 /nfs/dbraw/zinc/12/46/45/169124645.db2.gz CIXWUCICPRGTGY-CYBMUJFWSA-N 2 1 244.423 2.369 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@H]1CCSC1 ZINC000336745294 169124705 /nfs/dbraw/zinc/12/47/05/169124705.db2.gz VPGVVZGJZLWJEZ-CHWSQXEVSA-N 2 1 244.448 2.450 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@H]1CCSC1 ZINC000336745294 169124707 /nfs/dbraw/zinc/12/47/07/169124707.db2.gz VPGVVZGJZLWJEZ-CHWSQXEVSA-N 2 1 244.448 2.450 20 0 BEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)CC ZINC000308597409 169125587 /nfs/dbraw/zinc/12/55/87/169125587.db2.gz NARQFMXKEFLPFK-NWDGAFQWSA-N 2 1 200.370 2.495 20 0 BEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)CC ZINC000308597409 169125588 /nfs/dbraw/zinc/12/55/88/169125588.db2.gz NARQFMXKEFLPFK-NWDGAFQWSA-N 2 1 200.370 2.495 20 0 BEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)CC ZINC000308597410 169127616 /nfs/dbraw/zinc/12/76/16/169127616.db2.gz NARQFMXKEFLPFK-RYUDHWBXSA-N 2 1 200.370 2.495 20 0 BEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)CC ZINC000308597410 169127619 /nfs/dbraw/zinc/12/76/19/169127619.db2.gz NARQFMXKEFLPFK-RYUDHWBXSA-N 2 1 200.370 2.495 20 0 BEADMP CCC[NH+]1CCC([NH2+]Cc2cccc(O)c2)CC1 ZINC000020189933 169188545 /nfs/dbraw/zinc/18/85/45/169188545.db2.gz XNIVWJXQVMIHAL-UHFFFAOYSA-N 2 1 248.370 2.356 20 0 BEADMP CCC[NH+]1CCC([NH2+]Cc2cccnc2)CC1 ZINC000020140625 169188564 /nfs/dbraw/zinc/18/85/64/169188564.db2.gz VDQJQXFPXLYPIV-UHFFFAOYSA-N 2 1 233.359 2.046 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1C[C@H]1C ZINC000336756596 169196398 /nfs/dbraw/zinc/19/63/98/169196398.db2.gz ITFUJPQKVHRFIK-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1C[C@H]1C ZINC000336756596 169196399 /nfs/dbraw/zinc/19/63/99/169196399.db2.gz ITFUJPQKVHRFIK-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C(C)C ZINC000336764720 169196470 /nfs/dbraw/zinc/19/64/70/169196470.db2.gz QEKFPPMPDAAJRE-CHWSQXEVSA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C(C)C ZINC000336764720 169196472 /nfs/dbraw/zinc/19/64/72/169196472.db2.gz QEKFPPMPDAAJRE-CHWSQXEVSA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C(C)C ZINC000336764722 169197072 /nfs/dbraw/zinc/19/70/72/169197072.db2.gz QEKFPPMPDAAJRE-QWHCGFSZSA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C(C)C ZINC000336764722 169197073 /nfs/dbraw/zinc/19/70/73/169197073.db2.gz QEKFPPMPDAAJRE-QWHCGFSZSA-N 2 1 212.381 2.495 20 0 BEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)CC ZINC000336762287 169200154 /nfs/dbraw/zinc/20/01/54/169200154.db2.gz NOZKKBWXSZPWLW-STQMWFEESA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)CC ZINC000336762287 169200155 /nfs/dbraw/zinc/20/01/55/169200155.db2.gz NOZKKBWXSZPWLW-STQMWFEESA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CC(CC)C2)C1 ZINC000336779299 169206701 /nfs/dbraw/zinc/20/67/01/169206701.db2.gz NWVPPYRPJVSWCT-ROKHWSDSSA-N 2 1 224.392 2.497 20 0 BEADMP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000106868335 183351751 /nfs/dbraw/zinc/35/17/51/183351751.db2.gz FFZBLPQFCVXNSN-CHWSQXEVSA-N 2 1 236.384 2.465 20 0 BEADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cs1 ZINC000106868335 183351754 /nfs/dbraw/zinc/35/17/54/183351754.db2.gz FFZBLPQFCVXNSN-CHWSQXEVSA-N 2 1 236.384 2.465 20 0 BEADMP CC[C@@H](C)[C@@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001644099397 1172521805 /nfs/dbraw/zinc/52/18/05/1172521805.db2.gz PICIYNDEBMLFQJ-SYQHCUMBSA-N 2 1 224.392 2.305 20 0 BEADMP CC[C@@H](C)[C@@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001644099397 1172521809 /nfs/dbraw/zinc/52/18/09/1172521809.db2.gz PICIYNDEBMLFQJ-SYQHCUMBSA-N 2 1 224.392 2.305 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]C2CC(C)C2)[C@@H](C)C1 ZINC000222168754 134329947 /nfs/dbraw/zinc/32/99/47/134329947.db2.gz ZITIMHXPCDOWNA-PYNQCMFNSA-N 2 1 210.365 2.105 20 0 BEADMP CSC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000223742497 134339061 /nfs/dbraw/zinc/33/90/61/134339061.db2.gz QAFINOGIMHLPGJ-NNYUYHANSA-N 2 1 230.421 2.056 20 0 BEADMP C[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224117918 134341843 /nfs/dbraw/zinc/34/18/43/134341843.db2.gz CTXGMSAWONUCHY-KXUCPTDWSA-N 2 1 238.297 2.400 20 0 BEADMP C[C@@H]([N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)C1(C)CC1 ZINC000309033364 533012758 /nfs/dbraw/zinc/01/27/58/533012758.db2.gz DCWBJDDCTDHJHW-NQBHXWOUSA-N 2 1 210.365 2.092 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000087771480 383865722 /nfs/dbraw/zinc/86/57/22/383865722.db2.gz PPPFFLUGQOLAIT-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000304206770 383893952 /nfs/dbraw/zinc/89/39/52/383893952.db2.gz PZJMWDIIDNVWTQ-FPMFFAJLSA-N 2 1 218.344 2.212 20 0 BEADMP CC[C@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000304206770 383893958 /nfs/dbraw/zinc/89/39/58/383893958.db2.gz PZJMWDIIDNVWTQ-FPMFFAJLSA-N 2 1 218.344 2.212 20 0 BEADMP C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccco1 ZINC000037649096 383990120 /nfs/dbraw/zinc/99/01/20/383990120.db2.gz QIYNEAXCBTWPQI-NEPJUHHUSA-N 2 1 234.343 2.415 20 0 BEADMP CS[C@H]1CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000336460632 383951742 /nfs/dbraw/zinc/95/17/42/383951742.db2.gz QFNGEKQFXOGUJB-ZDUSSCGKSA-N 2 1 242.432 2.204 20 0 BEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCC(F)(F)F ZINC000070914861 383958938 /nfs/dbraw/zinc/95/89/38/383958938.db2.gz UUSXFYLDWDXHOQ-VIFPVBQESA-N 2 1 224.270 2.142 20 0 BEADMP C[C@@H](Cc1cccs1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000643545147 384009400 /nfs/dbraw/zinc/00/94/00/384009400.db2.gz FUIVVCCBSVDPHV-NWDGAFQWSA-N 2 1 238.400 2.411 20 0 BEADMP C[C@@H](Cc1cccs1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000643545148 384009743 /nfs/dbraw/zinc/00/97/43/384009743.db2.gz FUIVVCCBSVDPHV-RYUDHWBXSA-N 2 1 238.400 2.411 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1 ZINC000073653777 384029417 /nfs/dbraw/zinc/02/94/17/384029417.db2.gz IOHGIIBXOUYHLW-JSGCOSHPSA-N 2 1 218.344 2.116 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccccn1 ZINC000643547224 384033218 /nfs/dbraw/zinc/03/32/18/384033218.db2.gz BQLTWIGOUQOCRZ-QWHCGFSZSA-N 2 1 245.370 2.407 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccnc1 ZINC000643547247 384033546 /nfs/dbraw/zinc/03/35/46/384033546.db2.gz BVWUSYHRGPYOLD-JSGCOSHPSA-N 2 1 245.370 2.407 20 0 BEADMP CCC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000090219707 384035864 /nfs/dbraw/zinc/03/58/64/384035864.db2.gz FPZGULZXHNXWJL-RWMBFGLXSA-N 2 1 224.392 2.495 20 0 BEADMP CC1(C)CC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000309406522 384107066 /nfs/dbraw/zinc/10/70/66/384107066.db2.gz HZMVGRIPZRRDDX-STQMWFEESA-N 2 1 222.376 2.391 20 0 BEADMP CC1(C)CC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000309406522 384107068 /nfs/dbraw/zinc/10/70/68/384107068.db2.gz HZMVGRIPZRRDDX-STQMWFEESA-N 2 1 222.376 2.391 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000335917836 384125141 /nfs/dbraw/zinc/12/51/41/384125141.db2.gz CKGRKEUNBVXZFL-STQMWFEESA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)CC[C@H]1[NH3+] ZINC000302380963 384155838 /nfs/dbraw/zinc/15/58/38/384155838.db2.gz IGZVMKUIJDWMAZ-IJLUTSLNSA-N 2 1 246.345 2.481 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000334672256 384139911 /nfs/dbraw/zinc/13/99/11/384139911.db2.gz SUUYRHANNGLFBE-ZFWWWQNUSA-N 2 1 247.386 2.271 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000334672256 384139913 /nfs/dbraw/zinc/13/99/13/384139913.db2.gz SUUYRHANNGLFBE-ZFWWWQNUSA-N 2 1 247.386 2.271 20 0 BEADMP Cc1ccsc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000122725815 384162810 /nfs/dbraw/zinc/16/28/10/384162810.db2.gz LMTAIAIPRNSLKO-NWDGAFQWSA-N 2 1 238.400 2.486 20 0 BEADMP Cc1ccsc1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000122725815 384162814 /nfs/dbraw/zinc/16/28/14/384162814.db2.gz LMTAIAIPRNSLKO-NWDGAFQWSA-N 2 1 238.400 2.486 20 0 BEADMP COc1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)cc1 ZINC000042442230 384219333 /nfs/dbraw/zinc/21/93/33/384219333.db2.gz XXKFNTRUCZSXRO-UHFFFAOYSA-N 2 1 248.370 2.127 20 0 BEADMP CC[C@@H]1C[N@@H+](CC2(OC)CCCC2)CC[C@H]1[NH3+] ZINC000319456329 384249337 /nfs/dbraw/zinc/24/93/37/384249337.db2.gz OCXSXEAPRMUKQX-CHWSQXEVSA-N 2 1 240.391 2.005 20 0 BEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000558700117 384252280 /nfs/dbraw/zinc/25/22/80/384252280.db2.gz PJECVSPMODDHMB-BYNSBNAKSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCc2occc21 ZINC000278869370 384264908 /nfs/dbraw/zinc/26/49/08/384264908.db2.gz WXAGXNQFHLLAFN-CYBMUJFWSA-N 2 1 245.326 2.452 20 0 BEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCSC)C1 ZINC000174215604 384306795 /nfs/dbraw/zinc/30/67/95/384306795.db2.gz YQLDJDBBVBVYGW-CYBMUJFWSA-N 2 1 244.448 2.403 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)C1CC1 ZINC000083055489 384278825 /nfs/dbraw/zinc/27/88/25/384278825.db2.gz UFFBWFOMBNABCF-AAEUAGOBSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)C1CC1 ZINC000083055764 384279091 /nfs/dbraw/zinc/27/90/91/384279091.db2.gz VUYRASPLMBSCHC-ZDUSSCGKSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)CCOCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000119518661 384279776 /nfs/dbraw/zinc/27/97/76/384279776.db2.gz XZHWNNRZIWAMPW-KBPBESRZSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@H](C)C[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000300056940 384283225 /nfs/dbraw/zinc/28/32/25/384283225.db2.gz WSMPAVRNPXUQOV-XQQFMLRXSA-N 2 1 212.381 2.352 20 0 BEADMP CCCCOCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397338385 384299191 /nfs/dbraw/zinc/29/91/91/384299191.db2.gz ZAYQNTLECAVDDW-MJBXVCDLSA-N 2 1 242.407 2.108 20 0 BEADMP CCCCOCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397338383 384299316 /nfs/dbraw/zinc/29/93/16/384299316.db2.gz ZAYQNTLECAVDDW-IHRRRGAJSA-N 2 1 242.407 2.108 20 0 BEADMP CCc1ccc(C[N@H+](C)[C@H](C[NH3+])C2CC2)cc1 ZINC000159689667 384349491 /nfs/dbraw/zinc/34/94/91/384349491.db2.gz ONIBFRMDRJLTGH-OAHLLOKOSA-N 2 1 232.371 2.418 20 0 BEADMP CCc1ccc(C[N@@H+](C)[C@H](C[NH3+])C2CC2)cc1 ZINC000159689667 384349496 /nfs/dbraw/zinc/34/94/96/384349496.db2.gz ONIBFRMDRJLTGH-OAHLLOKOSA-N 2 1 232.371 2.418 20 0 BEADMP C[NH+]1CCC([NH2+]CC23CCC(CC2)C3)CC1 ZINC000335599752 384370306 /nfs/dbraw/zinc/37/03/06/384370306.db2.gz KDAPSBDQQBYOOP-UHFFFAOYSA-N 2 1 222.376 2.251 20 0 BEADMP CCC1CC([NH2+][C@H]2CCc3[nH]cnc3C2)C1 ZINC000335599777 384370697 /nfs/dbraw/zinc/37/06/97/384370697.db2.gz SAYNHVGNNNTWOY-YVNMAJEFSA-N 2 1 219.332 2.045 20 0 BEADMP CC(C)[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000084386272 384392460 /nfs/dbraw/zinc/39/24/60/384392460.db2.gz DHVUDBOQQPPAHM-QWHCGFSZSA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647172091 384411180 /nfs/dbraw/zinc/41/11/80/384411180.db2.gz HYKTXDIRGKECAL-NSHDSACASA-N 2 1 246.345 2.496 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000229060361 384414320 /nfs/dbraw/zinc/41/43/20/384414320.db2.gz GPUHAFLUPPMMJQ-NEPJUHHUSA-N 2 1 236.334 2.303 20 0 BEADMP CCCC[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000084385226 384391209 /nfs/dbraw/zinc/39/12/09/384391209.db2.gz ANFROEKORSERCL-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP CC[C@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000449433342 384450362 /nfs/dbraw/zinc/45/03/62/384450362.db2.gz LYNQOLZSQUNUKU-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000147771516 384452812 /nfs/dbraw/zinc/45/28/12/384452812.db2.gz SGEDPJKSXXHIOC-OAHLLOKOSA-N 2 1 248.345 2.497 20 0 BEADMP C[C@H](C[NH3+])C[NH2+]Cc1ccsc1Cl ZINC000312746341 384455792 /nfs/dbraw/zinc/45/57/92/384455792.db2.gz OSXXSRSFORRKFX-SSDOTTSWSA-N 2 1 218.753 2.086 20 0 BEADMP CCOc1ccc(C[N@H+](C)CCC[NH2+]C)cc1 ZINC000147993432 384455874 /nfs/dbraw/zinc/45/58/74/384455874.db2.gz MIPWSRVQSMJDPB-UHFFFAOYSA-N 2 1 236.359 2.127 20 0 BEADMP CCOc1ccc(C[N@@H+](C)CCC[NH2+]C)cc1 ZINC000147993432 384455884 /nfs/dbraw/zinc/45/58/84/384455884.db2.gz MIPWSRVQSMJDPB-UHFFFAOYSA-N 2 1 236.359 2.127 20 0 BEADMP CCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036996769 384470078 /nfs/dbraw/zinc/47/00/78/384470078.db2.gz XCYGECZFOVREQK-RWMBFGLXSA-N 2 1 210.365 2.391 20 0 BEADMP CCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036996769 384470087 /nfs/dbraw/zinc/47/00/87/384470087.db2.gz XCYGECZFOVREQK-RWMBFGLXSA-N 2 1 210.365 2.391 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC(F)(F)F ZINC000149456809 384477742 /nfs/dbraw/zinc/47/77/42/384477742.db2.gz CVLDNGFGUQLBHL-VIFPVBQESA-N 2 1 226.286 2.244 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(F)(F)F ZINC000149456809 384477747 /nfs/dbraw/zinc/47/77/47/384477747.db2.gz CVLDNGFGUQLBHL-VIFPVBQESA-N 2 1 226.286 2.244 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2CC(C)(C)C2)CC[N@@H+]1C ZINC000334397015 384481832 /nfs/dbraw/zinc/48/18/32/384481832.db2.gz CEZLWGMRQSARFH-GHMZBOCLSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C2CC(C)(C)C2)CC[N@H+]1C ZINC000334397015 384481838 /nfs/dbraw/zinc/48/18/38/384481838.db2.gz CEZLWGMRQSARFH-GHMZBOCLSA-N 2 1 210.365 2.247 20 0 BEADMP CC[C@@H]([NH2+]CC[NH3+])c1ccc(Cl)cc1 ZINC000037712424 384513573 /nfs/dbraw/zinc/51/35/73/384513573.db2.gz WYIKXZDZUSIJNO-LLVKDONJSA-N 2 1 212.724 2.339 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000172197681 384546970 /nfs/dbraw/zinc/54/69/70/384546970.db2.gz LGNCCCZDXBVFCK-OAHLLOKOSA-N 2 1 232.371 2.379 20 0 BEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCF)C1 ZINC000151336904 384564087 /nfs/dbraw/zinc/56/40/87/384564087.db2.gz FNGTVSHNVPXKQD-GFCCVEGCSA-N 2 1 216.344 2.010 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCF)C1 ZINC000151336904 384564090 /nfs/dbraw/zinc/56/40/90/384564090.db2.gz FNGTVSHNVPXKQD-GFCCVEGCSA-N 2 1 216.344 2.010 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCF)C1 ZINC000151336904 384564099 /nfs/dbraw/zinc/56/40/99/384564099.db2.gz FNGTVSHNVPXKQD-GFCCVEGCSA-N 2 1 216.344 2.010 20 0 BEADMP CS[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000309721405 384566829 /nfs/dbraw/zinc/56/68/29/384566829.db2.gz WCJIQIRQHSKRIO-LPWJVIDDSA-N 2 1 242.432 2.200 20 0 BEADMP CS[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000309721407 384567006 /nfs/dbraw/zinc/56/70/06/384567006.db2.gz WCJIQIRQHSKRIO-YVECIDJPSA-N 2 1 242.432 2.200 20 0 BEADMP CN(CCc1ccccn1)CC[C@H]1CCC[N@H+]1C ZINC000162397514 384616092 /nfs/dbraw/zinc/61/60/92/384616092.db2.gz XRJDFOWETIAFQZ-OAHLLOKOSA-N 2 1 247.386 2.040 20 0 BEADMP C[N@@H+](CCc1ccccn1)CC[C@H]1CCC[NH+]1C ZINC000162397514 384616099 /nfs/dbraw/zinc/61/60/99/384616099.db2.gz XRJDFOWETIAFQZ-OAHLLOKOSA-N 2 1 247.386 2.040 20 0 BEADMP C[N@H+](CCc1ccccn1)CC[C@H]1CCC[NH+]1C ZINC000162397514 384616107 /nfs/dbraw/zinc/61/61/07/384616107.db2.gz XRJDFOWETIAFQZ-OAHLLOKOSA-N 2 1 247.386 2.040 20 0 BEADMP C[NH+](CCc1ccccn1)CC[C@H]1CCC[N@@H+]1C ZINC000162397514 384616111 /nfs/dbraw/zinc/61/61/11/384616111.db2.gz XRJDFOWETIAFQZ-OAHLLOKOSA-N 2 1 247.386 2.040 20 0 BEADMP C[NH+](CCc1ccccn1)CC[C@H]1CCC[N@H+]1C ZINC000162397514 384616117 /nfs/dbraw/zinc/61/61/17/384616117.db2.gz XRJDFOWETIAFQZ-OAHLLOKOSA-N 2 1 247.386 2.040 20 0 BEADMP CN(CCc1ccccn1)CC[C@@H]1CCC[N@H+]1C ZINC000162397643 384616962 /nfs/dbraw/zinc/61/69/62/384616962.db2.gz XRJDFOWETIAFQZ-HNNXBMFYSA-N 2 1 247.386 2.040 20 0 BEADMP C[N@@H+](CCc1ccccn1)CC[C@@H]1CCC[NH+]1C ZINC000162397643 384616968 /nfs/dbraw/zinc/61/69/68/384616968.db2.gz XRJDFOWETIAFQZ-HNNXBMFYSA-N 2 1 247.386 2.040 20 0 BEADMP C[N@H+](CCc1ccccn1)CC[C@@H]1CCC[NH+]1C ZINC000162397643 384616976 /nfs/dbraw/zinc/61/69/76/384616976.db2.gz XRJDFOWETIAFQZ-HNNXBMFYSA-N 2 1 247.386 2.040 20 0 BEADMP C[NH+](CCc1ccccn1)CC[C@@H]1CCC[N@@H+]1C ZINC000162397643 384616982 /nfs/dbraw/zinc/61/69/82/384616982.db2.gz XRJDFOWETIAFQZ-HNNXBMFYSA-N 2 1 247.386 2.040 20 0 BEADMP C[NH+](CCc1ccccn1)CC[C@@H]1CCC[N@H+]1C ZINC000162397643 384616988 /nfs/dbraw/zinc/61/69/88/384616988.db2.gz XRJDFOWETIAFQZ-HNNXBMFYSA-N 2 1 247.386 2.040 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@H]2CCCC2(F)F)CC1 ZINC000336144722 384624394 /nfs/dbraw/zinc/62/43/94/384624394.db2.gz PSFRIRNMXDTKKR-SNVBAGLBSA-N 2 1 232.318 2.106 20 0 BEADMP CC(C)=CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150819658 384626473 /nfs/dbraw/zinc/62/64/73/384626473.db2.gz XYOYHNDGCVSERP-AWEZNQCLSA-N 2 1 222.376 2.370 20 0 BEADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000300831785 384598439 /nfs/dbraw/zinc/59/84/39/384598439.db2.gz CCWIQMWOKXTLTP-AVGNSLFASA-N 2 1 212.381 2.338 20 0 BEADMP CCC[C@H]1[C@H](C)CCC[N@H+]1CCC[NH2+]C ZINC000309852656 384670416 /nfs/dbraw/zinc/67/04/16/384670416.db2.gz YQEKRGJPOBHMKI-OLZOCXBDSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC000300896318 384638835 /nfs/dbraw/zinc/63/88/35/384638835.db2.gz QGPQAXIKNMGPCI-NWDGAFQWSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC000300896321 384639028 /nfs/dbraw/zinc/63/90/28/384639028.db2.gz QGPQAXIKNMGPCI-RYUDHWBXSA-N 2 1 212.381 2.482 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000271809416 384647354 /nfs/dbraw/zinc/64/73/54/384647354.db2.gz KQHDQUCDKQEUKN-CYBMUJFWSA-N 2 1 220.360 2.194 20 0 BEADMP CC[C@@H](C)C[N@@H+](CC)C[C@@H]1CCC[NH2+]C1 ZINC000086437718 384649624 /nfs/dbraw/zinc/64/96/24/384649624.db2.gz LYOJSVUYWGMXOV-CHWSQXEVSA-N 2 1 212.381 2.354 20 0 BEADMP COc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271888082 384653226 /nfs/dbraw/zinc/65/32/26/384653226.db2.gz NVEKIIHLMPDRHK-UHFFFAOYSA-N 2 1 246.354 2.047 20 0 BEADMP CC(C)([NH3+])C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000647537939 384656375 /nfs/dbraw/zinc/65/63/75/384656375.db2.gz ZYKDNUZPXUZUEX-ZDUSSCGKSA-N 2 1 234.343 2.266 20 0 BEADMP CC(C)([NH3+])C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000647537939 384656383 /nfs/dbraw/zinc/65/63/83/384656383.db2.gz ZYKDNUZPXUZUEX-ZDUSSCGKSA-N 2 1 234.343 2.266 20 0 BEADMP Cc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044535116 384657951 /nfs/dbraw/zinc/65/79/51/384657951.db2.gz SCBSJXNDMCUQFA-AWEZNQCLSA-N 2 1 232.371 2.426 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000044535213 384659249 /nfs/dbraw/zinc/65/92/49/384659249.db2.gz JQNCSLPKMWJRKT-RDBSUJKOSA-N 2 1 224.392 2.497 20 0 BEADMP C[N@@H+](CCC[NH3+])Cc1ccc(C(F)F)cc1 ZINC000124622783 384661464 /nfs/dbraw/zinc/66/14/64/384661464.db2.gz MLFYBQYZMINVAE-UHFFFAOYSA-N 2 1 228.286 2.405 20 0 BEADMP COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000125538038 384725239 /nfs/dbraw/zinc/72/52/39/384725239.db2.gz MJDNOQWVRIYVMG-CQSZACIVSA-N 2 1 248.370 2.079 20 0 BEADMP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000125538038 384725245 /nfs/dbraw/zinc/72/52/45/384725245.db2.gz MJDNOQWVRIYVMG-CQSZACIVSA-N 2 1 248.370 2.079 20 0 BEADMP CCC[NH+]1CCC([N@@H+](C)CC(C)C)CC1 ZINC000171930242 384677351 /nfs/dbraw/zinc/67/73/51/384677351.db2.gz UEUVDGQCNABMRA-UHFFFAOYSA-N 2 1 212.381 2.449 20 0 BEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccn(C)c2)C1 ZINC000125014216 384689997 /nfs/dbraw/zinc/68/99/97/384689997.db2.gz VNBPPOWUMQAXHP-AWEZNQCLSA-N 2 1 249.402 2.235 20 0 BEADMP CC[NH+](CC)CCNc1cc[nH+]cc1Cl ZINC000086833006 384700396 /nfs/dbraw/zinc/70/03/96/384700396.db2.gz LNRDJBLQISZZLD-UHFFFAOYSA-N 2 1 227.739 2.489 20 0 BEADMP [NH3+]C[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000011888465 384705539 /nfs/dbraw/zinc/70/55/39/384705539.db2.gz TYMOOFGSAIJCFV-OAHLLOKOSA-N 2 1 232.371 2.290 20 0 BEADMP CCSCCC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000309679386 384718809 /nfs/dbraw/zinc/71/88/09/384718809.db2.gz ZBILEYDAZHJJPQ-OLZOCXBDSA-N 2 1 244.448 2.450 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2C[NH2+]C[C@H](C)C2)c(C)c1 ZINC000647548754 384740541 /nfs/dbraw/zinc/74/05/41/384740541.db2.gz SMPFDUKKPCGUIN-CZUORRHYSA-N 2 1 246.398 2.434 20 0 BEADMP COc1cccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1F ZINC000647552063 384758186 /nfs/dbraw/zinc/75/81/86/384758186.db2.gz DJTIIOCOJPBACJ-NXEZZACHSA-N 2 1 240.322 2.050 20 0 BEADMP COc1cccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1F ZINC000647552064 384758194 /nfs/dbraw/zinc/75/81/94/384758194.db2.gz DJTIIOCOJPBACJ-UWVGGRQHSA-N 2 1 240.322 2.050 20 0 BEADMP C[NH+]1CCC([NH2+]C2CC(C(F)(F)F)C2)CC1 ZINC000309501404 384761927 /nfs/dbraw/zinc/76/19/27/384761927.db2.gz ZUQZQRZULCUBCT-UHFFFAOYSA-N 2 1 236.281 2.011 20 0 BEADMP CC(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000375852033 384825473 /nfs/dbraw/zinc/82/54/73/384825473.db2.gz NBBOPOWNCLCSCR-MGPQQGTHSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000375852031 384825953 /nfs/dbraw/zinc/82/59/53/384825953.db2.gz NBBOPOWNCLCSCR-BFHYXJOUSA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423353695 384832189 /nfs/dbraw/zinc/83/21/89/384832189.db2.gz CAWHAUPRNUGLMN-VOAKCMCISA-N 2 1 210.365 2.009 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000423259495 384784871 /nfs/dbraw/zinc/78/48/71/384784871.db2.gz DXQAEZZBILPIRZ-UPJWGTAASA-N 2 1 210.365 2.138 20 0 BEADMP Cc1cc(C)cc(C[N@@H+](C)CCC[NH3+])c1 ZINC000038076701 384785887 /nfs/dbraw/zinc/78/58/87/384785887.db2.gz FABCOFJIFXQTGM-UHFFFAOYSA-N 2 1 206.333 2.084 20 0 BEADMP CCCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000042491302 384807603 /nfs/dbraw/zinc/80/76/03/384807603.db2.gz ZZJAGAYGIBTLPM-GFCCVEGCSA-N 2 1 210.365 2.251 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403862765 384880441 /nfs/dbraw/zinc/88/04/41/384880441.db2.gz WSURMDYGKVRAJZ-TUVASFSCSA-N 2 1 236.403 2.354 20 0 BEADMP c1sc2ccccc2c1CC[NH2+][C@@H]1CC[NH2+]C1 ZINC000258984986 384955048 /nfs/dbraw/zinc/95/50/48/384955048.db2.gz MGRVNKRVFVFSSP-GFCCVEGCSA-N 2 1 246.379 2.395 20 0 BEADMP COc1ccc(CC[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000049707596 384898423 /nfs/dbraw/zinc/89/84/23/384898423.db2.gz XRWCGEOGVYZXEM-JSGCOSHPSA-N 2 1 248.370 2.049 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000111763715 384902787 /nfs/dbraw/zinc/90/27/87/384902787.db2.gz HUMWVAHQAOEDDW-DGCLKSJQSA-N 2 1 236.334 2.385 20 0 BEADMP CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000259266024 384958825 /nfs/dbraw/zinc/95/88/25/384958825.db2.gz ZLAUJSBLFKBHFV-ZIAGYGMSSA-N 2 1 234.343 2.055 20 0 BEADMP CC[C@H]([NH2+]CC[N@H+](CC)C(C)C)[C@H]1CCOC1 ZINC000156631059 384912898 /nfs/dbraw/zinc/91/28/98/384912898.db2.gz YDCISLHLRCUMDT-KBPBESRZSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@H]([NH2+]CC[N@@H+](CC)C(C)C)[C@H]1CCOC1 ZINC000156631059 384912904 /nfs/dbraw/zinc/91/29/04/384912904.db2.gz YDCISLHLRCUMDT-KBPBESRZSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)[C@@H]1CCOC1 ZINC000310236582 384917830 /nfs/dbraw/zinc/91/78/30/384917830.db2.gz AJENJELJLLXGHH-MCIONIFRSA-N 2 1 242.407 2.120 20 0 BEADMP CC[C@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)[C@@H]1CCOC1 ZINC000310236582 384917838 /nfs/dbraw/zinc/91/78/38/384917838.db2.gz AJENJELJLLXGHH-MCIONIFRSA-N 2 1 242.407 2.120 20 0 BEADMP CC[N@H+](CC[NH2+][C@@H](C)C1CCOCC1)C(C)C ZINC000156661359 384918285 /nfs/dbraw/zinc/91/82/85/384918285.db2.gz BVAOXPVSBMTYFR-ZDUSSCGKSA-N 2 1 242.407 2.121 20 0 BEADMP CC[N@@H+](CC[NH2+][C@@H](C)C1CCOCC1)C(C)C ZINC000156661359 384918289 /nfs/dbraw/zinc/91/82/89/384918289.db2.gz BVAOXPVSBMTYFR-ZDUSSCGKSA-N 2 1 242.407 2.121 20 0 BEADMP C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccoc1 ZINC000087290075 384936269 /nfs/dbraw/zinc/93/62/69/384936269.db2.gz GIVRKPQGKQCSNU-NEPJUHHUSA-N 2 1 222.332 2.272 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccoc1 ZINC000087290075 384936280 /nfs/dbraw/zinc/93/62/80/384936280.db2.gz GIVRKPQGKQCSNU-NEPJUHHUSA-N 2 1 222.332 2.272 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccoc1 ZINC000087290075 384936286 /nfs/dbraw/zinc/93/62/86/384936286.db2.gz GIVRKPQGKQCSNU-NEPJUHHUSA-N 2 1 222.332 2.272 20 0 BEADMP CSCC[C@H](C)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000164183106 384936907 /nfs/dbraw/zinc/93/69/07/384936907.db2.gz IBLBEKZCDIDESR-STQMWFEESA-N 2 1 244.448 2.450 20 0 BEADMP Cc1ccc(CC[N@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000258756721 384938912 /nfs/dbraw/zinc/93/89/12/384938912.db2.gz MOJLGQHEDSLBBG-UHFFFAOYSA-N 2 1 234.387 2.454 20 0 BEADMP Cc1ccc(C[NH2+]CC(C)(C)[NH3+])c(C)c1 ZINC000258878719 384948311 /nfs/dbraw/zinc/94/83/11/384948311.db2.gz PYFQUSFRZNYGOK-UHFFFAOYSA-N 2 1 206.333 2.130 20 0 BEADMP Cc1cc(N2CCC[C@H](C)[C@H]2CC[NH3+])nc(C)[nH+]1 ZINC000404369364 384974174 /nfs/dbraw/zinc/97/41/74/384974174.db2.gz QLASJMUVCGUXNC-GXFFZTMASA-N 2 1 248.374 2.047 20 0 BEADMP C[C@@H](C[NH2+]Cc1cccc(O)c1)C[NH+]1CCCC1 ZINC000057994002 384975993 /nfs/dbraw/zinc/97/59/93/384975993.db2.gz YRRWUDBYIPLXFG-ZDUSSCGKSA-N 2 1 248.370 2.214 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)s1 ZINC000050225605 384986368 /nfs/dbraw/zinc/98/63/68/384986368.db2.gz XDFPYVIBHICQNK-ONGXEEELSA-N 2 1 224.373 2.368 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)C1CCC1 ZINC000309087273 384987509 /nfs/dbraw/zinc/98/75/09/384987509.db2.gz ZGLGRXZXFVQRRJ-VXGBXAGGSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)C1CCC1 ZINC000309087273 384987516 /nfs/dbraw/zinc/98/75/16/384987516.db2.gz ZGLGRXZXFVQRRJ-VXGBXAGGSA-N 2 1 212.381 2.493 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000423478488 384989869 /nfs/dbraw/zinc/98/98/69/384989869.db2.gz UQXYLUPCLOEJEB-AAEUAGOBSA-N 2 1 222.307 2.140 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)C1CCCC1 ZINC000423516873 385014665 /nfs/dbraw/zinc/01/46/65/385014665.db2.gz YGAPKTZBVLPPJG-RDBSUJKOSA-N 2 1 222.376 2.282 20 0 BEADMP [NH3+][C@H]1C[C@@H]([NH2+]CC2=CCCOC2)c2ccccc21 ZINC000336230850 385020894 /nfs/dbraw/zinc/02/08/94/385020894.db2.gz QFNAVPFFDJFVAS-LSDHHAIUSA-N 2 1 244.338 2.068 20 0 BEADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000404756186 385052831 /nfs/dbraw/zinc/05/28/31/385052831.db2.gz BKYKLJVGDCHPOU-NEPJUHHUSA-N 2 1 240.297 2.180 20 0 BEADMP C[N@H+](Cc1cc(F)cc(F)c1)C1CC[NH2+]CC1 ZINC000157046833 385060100 /nfs/dbraw/zinc/06/01/00/385060100.db2.gz YLMNYXGLERPWRB-UHFFFAOYSA-N 2 1 240.297 2.149 20 0 BEADMP C[N@@H+](Cc1cc(F)cc(F)c1)C1CC[NH2+]CC1 ZINC000157046833 385060105 /nfs/dbraw/zinc/06/01/05/385060105.db2.gz YLMNYXGLERPWRB-UHFFFAOYSA-N 2 1 240.297 2.149 20 0 BEADMP Cc1c[nH+]ccc1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226880658 385067002 /nfs/dbraw/zinc/06/70/02/385067002.db2.gz IVPOFJXYCKRAHG-NWDGAFQWSA-N 2 1 219.332 2.285 20 0 BEADMP Cc1ccc(F)cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000157114407 385077950 /nfs/dbraw/zinc/07/79/50/385077950.db2.gz GPUHAFLUPPMMJQ-NWDGAFQWSA-N 2 1 236.334 2.303 20 0 BEADMP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000227055199 385087244 /nfs/dbraw/zinc/08/72/44/385087244.db2.gz BTFFKLRFYNDOMV-SWLSCSKDSA-N 2 1 248.370 2.254 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000308823641 385193962 /nfs/dbraw/zinc/19/39/62/385193962.db2.gz HFEDIZAONRTMOW-STQMWFEESA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000308831012 385198145 /nfs/dbraw/zinc/19/81/45/385198145.db2.gz GFMIBBDQVVZFBF-NWDGAFQWSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000308831012 385198152 /nfs/dbraw/zinc/19/81/52/385198152.db2.gz GFMIBBDQVVZFBF-NWDGAFQWSA-N 2 1 212.381 2.493 20 0 BEADMP C[C@@H](C[NH2+][C@@H](C)c1ccccn1)C[NH+]1CCCC1 ZINC000062078017 385155668 /nfs/dbraw/zinc/15/56/68/385155668.db2.gz FAJNTDMJIWHGLL-KBPBESRZSA-N 2 1 247.386 2.464 20 0 BEADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cccnc1 ZINC000062077895 385155751 /nfs/dbraw/zinc/15/57/51/385155751.db2.gz MOYWRGJGQQFTLS-UONOGXRCSA-N 2 1 247.386 2.464 20 0 BEADMP CC(C)[N@@H+](C)CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227540422 385158303 /nfs/dbraw/zinc/15/83/03/385158303.db2.gz JUSCZQKTPWFNLG-HUUCEWRRSA-N 2 1 247.386 2.061 20 0 BEADMP CC/C=C\CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000644784174 385168424 /nfs/dbraw/zinc/16/84/24/385168424.db2.gz GTXSFJOHKOJEKF-WSNITJDQSA-N 2 1 222.376 2.370 20 0 BEADMP CC/C=C\CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000644784174 385168433 /nfs/dbraw/zinc/16/84/33/385168433.db2.gz GTXSFJOHKOJEKF-WSNITJDQSA-N 2 1 222.376 2.370 20 0 BEADMP CC/C=C\CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000644784174 385168440 /nfs/dbraw/zinc/16/84/40/385168440.db2.gz GTXSFJOHKOJEKF-WSNITJDQSA-N 2 1 222.376 2.370 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@H]1CCSC1 ZINC000308840067 385213629 /nfs/dbraw/zinc/21/36/29/385213629.db2.gz JRNMQYZXWATVMF-NWDGAFQWSA-N 2 1 230.421 2.058 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@H]1CCSC1 ZINC000308840067 385213635 /nfs/dbraw/zinc/21/36/35/385213635.db2.gz JRNMQYZXWATVMF-NWDGAFQWSA-N 2 1 230.421 2.058 20 0 BEADMP CCSCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000300990043 385221503 /nfs/dbraw/zinc/22/15/03/385221503.db2.gz VSZFFQNMZRHCCS-RWMBFGLXSA-N 2 1 244.448 2.448 20 0 BEADMP C[C@@H]1CC[N@@H+](CC2CCCC2)C[C@@H]1C[NH3+] ZINC000164652215 385224018 /nfs/dbraw/zinc/22/40/18/385224018.db2.gz HTQOJEGDNHYITG-YPMHNXCESA-N 2 1 210.365 2.093 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304562946 385239089 /nfs/dbraw/zinc/23/90/89/385239089.db2.gz LOBJZUAVAZXHEG-RQJABVFESA-N 2 1 222.376 2.106 20 0 BEADMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1C ZINC000228064149 385323944 /nfs/dbraw/zinc/32/39/44/385323944.db2.gz XERLLWGCXCOUPZ-HIFRSBDPSA-N 2 1 232.371 2.473 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2CCC23CCC3)CC1 ZINC000308950201 385311632 /nfs/dbraw/zinc/31/16/32/385311632.db2.gz OVLXXNFZQNYFSJ-GFCCVEGCSA-N 2 1 208.349 2.003 20 0 BEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000065461366 385314766 /nfs/dbraw/zinc/31/47/66/385314766.db2.gz OFQDAAAUSJUOQN-GFCCVEGCSA-N 2 1 241.338 2.015 20 0 BEADMP CC(C)c1[nH+]ccn1CC[C@H]1CCC[NH2+]C1 ZINC000051919839 385290878 /nfs/dbraw/zinc/29/08/78/385290878.db2.gz GOVPFXQHISKXDS-GFCCVEGCSA-N 2 1 221.348 2.396 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C2CCC2)[C@H]2CCC[C@H]21 ZINC000308924853 385297507 /nfs/dbraw/zinc/29/75/07/385297507.db2.gz HXXNZNYTIBFCLI-FRRDWIJNSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1(C)CC1 ZINC000037485297 385301591 /nfs/dbraw/zinc/30/15/91/385301591.db2.gz BTKOKAVPNQUBFC-RYUDHWBXSA-N 2 1 222.376 2.249 20 0 BEADMP Cc1ccsc1C[NH2+][C@H]1CCCN[C@H]1C ZINC000335356782 385351522 /nfs/dbraw/zinc/35/15/22/385351522.db2.gz HHYLSAHJHFQTID-QWRGUYRKSA-N 2 1 224.373 2.287 20 0 BEADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CC1(C)C ZINC000309017189 385370522 /nfs/dbraw/zinc/37/05/22/385370522.db2.gz UWRHPWDTHAZJAK-ZYHUDNBSSA-N 2 1 210.365 2.105 20 0 BEADMP C[C@H](C[NH3+])[N@H+](C)Cc1cccc2cnccc21 ZINC000647496010 385380668 /nfs/dbraw/zinc/38/06/68/385380668.db2.gz BKFYHWQWEFDULR-LLVKDONJSA-N 2 1 229.327 2.014 20 0 BEADMP C[C@H](C[NH3+])[N@@H+](C)Cc1cccc2cnccc21 ZINC000647496010 385380673 /nfs/dbraw/zinc/38/06/73/385380673.db2.gz BKFYHWQWEFDULR-LLVKDONJSA-N 2 1 229.327 2.014 20 0 BEADMP C[C@@H]1CC[C@H](C[N@H+]2[C@H](C)[C@H](C)CC[C@H]2C[NH3+])O1 ZINC000316782766 385327961 /nfs/dbraw/zinc/32/79/61/385327961.db2.gz FBRJGVVEWVAFTI-XGFWRYKXSA-N 2 1 240.391 2.002 20 0 BEADMP C[C@@H]1CC[C@H](C[N@@H+]2[C@H](C)[C@H](C)CC[C@H]2C[NH3+])O1 ZINC000316782766 385327963 /nfs/dbraw/zinc/32/79/63/385327963.db2.gz FBRJGVVEWVAFTI-XGFWRYKXSA-N 2 1 240.391 2.002 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1C ZINC000193636394 385403791 /nfs/dbraw/zinc/40/37/91/385403791.db2.gz OZXWQNKVNKWCST-IYBDPMFKSA-N 2 1 244.382 2.297 20 0 BEADMP CC(C)C1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000181263119 385405145 /nfs/dbraw/zinc/40/51/45/385405145.db2.gz DKPQENVAVJJFCJ-STQMWFEESA-N 2 1 224.392 2.495 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCSC1 ZINC000309075398 385406126 /nfs/dbraw/zinc/40/61/26/385406126.db2.gz JRNMQYZXWATVMF-VXGBXAGGSA-N 2 1 230.421 2.058 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCSC1 ZINC000309075398 385406129 /nfs/dbraw/zinc/40/61/29/385406129.db2.gz JRNMQYZXWATVMF-VXGBXAGGSA-N 2 1 230.421 2.058 20 0 BEADMP CSC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000193801984 385413223 /nfs/dbraw/zinc/41/32/23/385413223.db2.gz HGZFGNLTYXVSTL-NEPJUHHUSA-N 2 1 242.432 2.344 20 0 BEADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCCCC1 ZINC000394611653 385418356 /nfs/dbraw/zinc/41/83/56/385418356.db2.gz HZTJQJSNBCGMRO-GASCZTMLSA-N 2 1 236.403 2.498 20 0 BEADMP CC(C)=CCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000309145772 385438636 /nfs/dbraw/zinc/43/86/36/385438636.db2.gz VCOQMJZTAISERF-OLZOCXBDSA-N 2 1 210.365 2.273 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)C1CC1 ZINC000309172068 385447663 /nfs/dbraw/zinc/44/76/63/385447663.db2.gz LOEORWAWVVRYAX-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)C1CC1 ZINC000309172068 385447668 /nfs/dbraw/zinc/44/76/68/385447668.db2.gz LOEORWAWVVRYAX-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)C1CC1 ZINC000309172070 385448927 /nfs/dbraw/zinc/44/89/27/385448927.db2.gz LOEORWAWVVRYAX-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)C1CC1 ZINC000309172070 385448932 /nfs/dbraw/zinc/44/89/32/385448932.db2.gz LOEORWAWVVRYAX-VXGBXAGGSA-N 2 1 212.381 2.495 20 0 BEADMP CCC1CC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000309176629 385451185 /nfs/dbraw/zinc/45/11/85/385451185.db2.gz MXTLLXBUADMFJA-IGJPJIBNSA-N 2 1 210.365 2.247 20 0 BEADMP CCC1CC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000309176629 385451187 /nfs/dbraw/zinc/45/11/87/385451187.db2.gz MXTLLXBUADMFJA-IGJPJIBNSA-N 2 1 210.365 2.247 20 0 BEADMP Cc1ccc(CCC[N@@H+]2CCNCC2(C)C)cn1 ZINC000647500768 385453533 /nfs/dbraw/zinc/45/35/33/385453533.db2.gz HCPXRHQVYNMLGB-UHFFFAOYSA-N 2 1 247.386 2.006 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(O)cc2)CC[N@H+]1C ZINC000156113418 385436540 /nfs/dbraw/zinc/43/65/40/385436540.db2.gz STRYNYQFCVQJRC-TZMCWYRMSA-N 2 1 248.370 2.007 20 0 BEADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000360933841 385468881 /nfs/dbraw/zinc/46/88/81/385468881.db2.gz WJJRVLVDCCSGMU-SYQHCUMBSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000360933841 385468886 /nfs/dbraw/zinc/46/88/86/385468886.db2.gz WJJRVLVDCCSGMU-SYQHCUMBSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@H]1CC[C@@H]1[NH2+]CC[N@H+](CC)C(C)C ZINC000309236962 385493813 /nfs/dbraw/zinc/49/38/13/385493813.db2.gz XRTYYHRYJDOXII-STQMWFEESA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H]1CC[C@@H]1[NH2+]CC[N@@H+](CC)C(C)C ZINC000309236962 385493815 /nfs/dbraw/zinc/49/38/15/385493815.db2.gz XRTYYHRYJDOXII-STQMWFEESA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC[N@H+](C)C2CCCC2)[C@H]1C ZINC000309257497 385501426 /nfs/dbraw/zinc/50/14/26/385501426.db2.gz ARKMMSNHEBZPSY-DYEKYZERSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)[C@H]1C ZINC000309257497 385501430 /nfs/dbraw/zinc/50/14/30/385501430.db2.gz ARKMMSNHEBZPSY-DYEKYZERSA-N 2 1 224.392 2.495 20 0 BEADMP COC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000302509840 385534510 /nfs/dbraw/zinc/53/45/10/385534510.db2.gz VCUVECROUXEYJS-RWMBFGLXSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC23CCCC3)CC[N@@H+]1C ZINC000309358193 385549854 /nfs/dbraw/zinc/54/98/54/385549854.db2.gz ABFUAJGRVYTCLB-UPJWGTAASA-N 2 1 222.376 2.391 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC23CCCC3)CC[N@H+]1C ZINC000309358193 385549856 /nfs/dbraw/zinc/54/98/56/385549856.db2.gz ABFUAJGRVYTCLB-UPJWGTAASA-N 2 1 222.376 2.391 20 0 BEADMP CC[N@H+](CC[NH2+][C@H](C)CCCOC)C(C)C ZINC000309436398 385581688 /nfs/dbraw/zinc/58/16/88/385581688.db2.gz HIDVWJDEBXFVMG-CYBMUJFWSA-N 2 1 230.396 2.121 20 0 BEADMP CC[N@@H+](CC[NH2+][C@H](C)CCCOC)C(C)C ZINC000309436398 385581690 /nfs/dbraw/zinc/58/16/90/385581690.db2.gz HIDVWJDEBXFVMG-CYBMUJFWSA-N 2 1 230.396 2.121 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccccc1 ZINC000107785207 385584369 /nfs/dbraw/zinc/58/43/69/385584369.db2.gz YPCNYXVGEVQRDO-DGCLKSJQSA-N 2 1 206.333 2.321 20 0 BEADMP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414849111 385616409 /nfs/dbraw/zinc/61/64/09/385616409.db2.gz QQEPOBCOKWAKKC-WCQYABFASA-N 2 1 236.334 2.098 20 0 BEADMP C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414849106 385616905 /nfs/dbraw/zinc/61/69/05/385616905.db2.gz QQEPOBCOKWAKKC-AAEUAGOBSA-N 2 1 236.334 2.098 20 0 BEADMP Cc1sccc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000293477005 385617299 /nfs/dbraw/zinc/61/72/99/385617299.db2.gz FKXJRGUKLDSOBD-JTQLQIEISA-N 2 1 226.389 2.486 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(C)C)[C@@H](C)C1 ZINC000221703207 385689437 /nfs/dbraw/zinc/68/94/37/385689437.db2.gz GHFFQHKDQDJCJY-QWHCGFSZSA-N 2 1 212.381 2.352 20 0 BEADMP Cc1cccc(C[NH2+][C@H](C[NH3+])CC(C)C)c1 ZINC000414854380 385693232 /nfs/dbraw/zinc/69/32/32/385693232.db2.gz UZCSKLMWBITNKO-AWEZNQCLSA-N 2 1 220.360 2.458 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)C1CC1 ZINC000309576750 385709823 /nfs/dbraw/zinc/70/98/23/385709823.db2.gz PEBXKBQERWLNBE-ASEORRQLSA-N 2 1 222.376 2.247 20 0 BEADMP C[NH2+]CCC[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000414856494 385714105 /nfs/dbraw/zinc/71/41/05/385714105.db2.gz AMVYRZQZEFLIKC-UHFFFAOYSA-N 2 1 248.370 2.099 20 0 BEADMP CC(C)COCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000337457688 385669379 /nfs/dbraw/zinc/66/93/79/385669379.db2.gz ISEPSFFXMVQENN-UHFFFAOYSA-N 2 1 242.407 2.077 20 0 BEADMP CC(C)COCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337457688 385669385 /nfs/dbraw/zinc/66/93/85/385669385.db2.gz ISEPSFFXMVQENN-UHFFFAOYSA-N 2 1 242.407 2.077 20 0 BEADMP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414866565 385779291 /nfs/dbraw/zinc/77/92/91/385779291.db2.gz FMROAIZAFZFDKI-DZGCQCFKSA-N 2 1 232.371 2.268 20 0 BEADMP C[C@H](CCc1ccccc1F)[NH2+][C@@H](C)C[NH3+] ZINC000414944395 385779566 /nfs/dbraw/zinc/77/95/66/385779566.db2.gz NYWNXRLALSMYFN-MNOVXSKESA-N 2 1 224.323 2.084 20 0 BEADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414866511 385779842 /nfs/dbraw/zinc/77/98/42/385779842.db2.gz NATUJLVBXAPYSU-AGIUHOORSA-N 2 1 210.365 2.153 20 0 BEADMP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414866572 385780222 /nfs/dbraw/zinc/78/02/22/385780222.db2.gz FMROAIZAFZFDKI-ZFWWWQNUSA-N 2 1 232.371 2.268 20 0 BEADMP c1nc2c([nH]1)CC[C@H]([NH2+]C1CCCCC1)C2 ZINC000309675426 385780908 /nfs/dbraw/zinc/78/09/08/385780908.db2.gz LOOPTMYIULBACB-NSHDSACASA-N 2 1 219.332 2.189 20 0 BEADMP CC(C)C1(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000638077465 385797815 /nfs/dbraw/zinc/79/78/15/385797815.db2.gz TYKVHWIDTYXSNZ-ZDUSSCGKSA-N 2 1 224.392 2.306 20 0 BEADMP CCOc1ccccc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414947919 385804836 /nfs/dbraw/zinc/80/48/36/385804836.db2.gz LLUGOVBGOYHMQU-JSGCOSHPSA-N 2 1 248.370 2.315 20 0 BEADMP CC(C)[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000084126116 385857231 /nfs/dbraw/zinc/85/72/31/385857231.db2.gz ZHCBZNDBNUMBLH-CYBMUJFWSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1ccncc1[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271869224 385857542 /nfs/dbraw/zinc/85/75/42/385857542.db2.gz MGJIZVSSHZHGNS-CYBMUJFWSA-N 2 1 245.370 2.303 20 0 BEADMP CC[C@@H](C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)OC ZINC000412977221 385823258 /nfs/dbraw/zinc/82/32/58/385823258.db2.gz LBLIFVUXXYPOTP-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP CC[C@@H](C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)OC ZINC000412977221 385823261 /nfs/dbraw/zinc/82/32/61/385823261.db2.gz LBLIFVUXXYPOTP-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP CC[C@@H](C[NH+](C)CC[C@H]1CCCC[N@H+]1C)OC ZINC000412977221 385823263 /nfs/dbraw/zinc/82/32/63/385823263.db2.gz LBLIFVUXXYPOTP-KGLIPLIRSA-N 2 1 242.407 2.218 20 0 BEADMP CC[C@@H](C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)OC ZINC000412977220 385823692 /nfs/dbraw/zinc/82/36/92/385823692.db2.gz LBLIFVUXXYPOTP-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP CC[C@@H](C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)OC ZINC000412977220 385823705 /nfs/dbraw/zinc/82/37/05/385823705.db2.gz LBLIFVUXXYPOTP-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP CC[C@@H](C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)OC ZINC000412977220 385823708 /nfs/dbraw/zinc/82/37/08/385823708.db2.gz LBLIFVUXXYPOTP-KBPBESRZSA-N 2 1 242.407 2.218 20 0 BEADMP COc1ccc(C)cc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414954547 385829860 /nfs/dbraw/zinc/82/98/60/385829860.db2.gz SQVHGOHINBEJBX-GXTWGEPZSA-N 2 1 248.370 2.234 20 0 BEADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cscn1 ZINC000647803144 385839127 /nfs/dbraw/zinc/83/91/27/385839127.db2.gz FCLMLCCRSBNIJA-JTQLQIEISA-N 2 1 247.367 2.453 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1CCC(F)CC1 ZINC000647804154 385840417 /nfs/dbraw/zinc/84/04/17/385840417.db2.gz KNNSCTACUVQZSB-YWPUVAFDSA-N 2 1 228.355 2.102 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1c[nH+]ccc1N ZINC000647804423 385840450 /nfs/dbraw/zinc/84/04/50/385840450.db2.gz QKIAZYGBIOFSTB-FIQHERPVSA-N 2 1 231.343 2.333 20 0 BEADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])[C@H](C)c1ccccc1 ZINC000414945867 385793963 /nfs/dbraw/zinc/79/39/63/385793963.db2.gz RBMZDUIMUARVKE-SDDRHHMPSA-N 2 1 206.333 2.115 20 0 BEADMP C[C@@H](CC1CCCC1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414874829 385889056 /nfs/dbraw/zinc/88/90/56/385889056.db2.gz ZMJLQANOVLTIKJ-WCQYABFASA-N 2 1 210.365 2.297 20 0 BEADMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccncc1 ZINC000217676914 385891071 /nfs/dbraw/zinc/89/10/71/385891071.db2.gz BDWFGICOJHVPJC-CFVMTHIKSA-N 2 1 245.370 2.359 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000414964204 385901559 /nfs/dbraw/zinc/90/15/59/385901559.db2.gz YJINIMWHHBELFC-GHYVTOPFSA-N 2 1 222.376 2.295 20 0 BEADMP FC1(F)CC(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000334492155 385908256 /nfs/dbraw/zinc/90/82/56/385908256.db2.gz FCEYWOREDMHCNS-NWDGAFQWSA-N 2 1 244.329 2.248 20 0 BEADMP CN(CCC[N@@H+](C)CCCF)Cc1ccco1 ZINC000285458812 385927445 /nfs/dbraw/zinc/92/74/45/385927445.db2.gz ADNPKDMSQRVHDD-UHFFFAOYSA-N 2 1 242.338 2.393 20 0 BEADMP CC[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000336742131 385927573 /nfs/dbraw/zinc/92/75/73/385927573.db2.gz WKTZTEFNQWJFBE-AAEUAGOBSA-N 2 1 210.365 2.249 20 0 BEADMP Cc1cc(F)c(C[NH2+]C[C@@H](C)C[NH3+])c(Cl)c1 ZINC000414871604 385862157 /nfs/dbraw/zinc/86/21/57/385862157.db2.gz DLHJWBBNHWYYAV-VIFPVBQESA-N 2 1 244.741 2.472 20 0 BEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000335020802 385981224 /nfs/dbraw/zinc/98/12/24/385981224.db2.gz BDWKYJJUIGMLKA-DZGCQCFKSA-N 2 1 241.338 2.204 20 0 BEADMP Cc1cnccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000295009756 385940027 /nfs/dbraw/zinc/94/00/27/385940027.db2.gz ZGGBAAXWKJSENQ-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP Cc1cnccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000295009756 385940031 /nfs/dbraw/zinc/94/00/31/385940031.db2.gz ZGGBAAXWKJSENQ-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP Cc1cnccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000295009756 385940035 /nfs/dbraw/zinc/94/00/35/385940035.db2.gz ZGGBAAXWKJSENQ-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP Cc1cnccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000295009756 385940038 /nfs/dbraw/zinc/94/00/38/385940038.db2.gz ZGGBAAXWKJSENQ-CQSZACIVSA-N 2 1 247.386 2.164 20 0 BEADMP C[C@H](CC1CC1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414878479 385941144 /nfs/dbraw/zinc/94/11/44/385941144.db2.gz NSPUAEYEWMHXDS-CYBMUJFWSA-N 2 1 247.386 2.340 20 0 BEADMP CC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000335049090 385947154 /nfs/dbraw/zinc/94/71/54/385947154.db2.gz HOAKJVTVKODEGI-OLZOCXBDSA-N 2 1 204.317 2.089 20 0 BEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000414078746 385950597 /nfs/dbraw/zinc/95/05/97/385950597.db2.gz REOUOEPHOUOBIF-HKUMRIAESA-N 2 1 235.375 2.462 20 0 BEADMP C1CCC2(C1)CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000335056885 385956027 /nfs/dbraw/zinc/95/60/27/385956027.db2.gz ASJOCCZKVKIZGM-OLZOCXBDSA-N 2 1 222.376 2.441 20 0 BEADMP C[C@H](c1cccnc1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251290035 385960531 /nfs/dbraw/zinc/96/05/31/385960531.db2.gz VFUWQVSYVZGFEA-OUCADQQQSA-N 2 1 233.359 2.202 20 0 BEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccncc1C ZINC000295215039 385994150 /nfs/dbraw/zinc/99/41/50/385994150.db2.gz AXJRYRFPJJZTNB-UHFFFAOYSA-N 2 1 244.342 2.075 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2cnc3ccccc3c2)CCC1 ZINC000414880012 385962490 /nfs/dbraw/zinc/96/24/90/385962490.db2.gz QGEYVKWLPLWQEI-UHFFFAOYSA-N 2 1 241.338 2.206 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](C[C@@H](C)OC)C(C)C ZINC000338312365 385962710 /nfs/dbraw/zinc/96/27/10/385962710.db2.gz ICASEHYLYPZRCZ-CQSZACIVSA-N 2 1 244.423 2.464 20 0 BEADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000414881620 385998027 /nfs/dbraw/zinc/99/80/27/385998027.db2.gz LEMGKGIQCSBGBA-JYJNAYRXSA-N 2 1 244.382 2.448 20 0 BEADMP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414882056 386004011 /nfs/dbraw/zinc/00/40/11/386004011.db2.gz LVOQYWONSFTLSS-SGMGOOAPSA-N 2 1 218.344 2.130 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(C)cc1C ZINC000414975426 386017553 /nfs/dbraw/zinc/01/75/53/386017553.db2.gz GMFAQTMDGHOPAA-CYBMUJFWSA-N 2 1 206.333 2.130 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1coc2ccccc12 ZINC000414977033 386029022 /nfs/dbraw/zinc/02/90/22/386029022.db2.gz JJZSNQVRQNRYEY-NSHDSACASA-N 2 1 218.300 2.260 20 0 BEADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@H]1C[C@H]1C ZINC000414191445 386030883 /nfs/dbraw/zinc/03/08/83/386030883.db2.gz RYPGHNVLTJJKGS-MQYQWHSLSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1(C)CC1 ZINC000414202932 386039693 /nfs/dbraw/zinc/03/96/93/386039693.db2.gz ZONDGVKEAGMPBV-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]C/C=C\c1ccc(F)cc1F ZINC000414979226 386042161 /nfs/dbraw/zinc/04/21/61/386042161.db2.gz NEGVPZHXODNVHY-VSQXVHSFSA-N 2 1 240.297 2.305 20 0 BEADMP C[C@H](CC[NH3+])[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000414884180 386043462 /nfs/dbraw/zinc/04/34/62/386043462.db2.gz AYEJIQCOMSPNCH-SECBINFHSA-N 2 1 241.404 2.268 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]C/C=C\c1ccc(F)cc1F ZINC000414979223 386043672 /nfs/dbraw/zinc/04/36/72/386043672.db2.gz NEGVPZHXODNVHY-MVZIDQBPSA-N 2 1 240.297 2.305 20 0 BEADMP Cc1ccc(C)c(C[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000414884832 386050515 /nfs/dbraw/zinc/05/05/15/386050515.db2.gz BJOUOKFWFKKULG-AWEZNQCLSA-N 2 1 218.344 2.130 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414980489 386052111 /nfs/dbraw/zinc/05/21/11/386052111.db2.gz ADUPBPLIRWLCGK-CQSZACIVSA-N 2 1 218.344 2.391 20 0 BEADMP Cc1cc(C)cc(C[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000414889334 386114473 /nfs/dbraw/zinc/11/44/73/386114473.db2.gz GGMATYNYHUTAGQ-AWEZNQCLSA-N 2 1 218.344 2.130 20 0 BEADMP Cc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)c(C)c1 ZINC000414890025 386119524 /nfs/dbraw/zinc/11/95/24/386119524.db2.gz GYEYSYBALMEALC-AWEZNQCLSA-N 2 1 218.344 2.130 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000414981764 386069546 /nfs/dbraw/zinc/06/95/46/386069546.db2.gz CASRPWIYWAAGBE-NSHDSACASA-N 2 1 249.383 2.432 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(SC)cc1 ZINC000414982772 386071084 /nfs/dbraw/zinc/07/10/84/386071084.db2.gz SMKRXMNRQDEFIK-LLVKDONJSA-N 2 1 224.373 2.235 20 0 BEADMP COc1ccccc1/C=C\C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414886598 386080021 /nfs/dbraw/zinc/08/00/21/386080021.db2.gz CQQICJVKAZVDDF-KXQLTZBTSA-N 2 1 246.354 2.035 20 0 BEADMP CSc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000414886614 386080307 /nfs/dbraw/zinc/08/03/07/386080307.db2.gz CQTQXXVSHGSAOM-CYBMUJFWSA-N 2 1 236.384 2.235 20 0 BEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCCC[C@H]1F ZINC000414280088 386091729 /nfs/dbraw/zinc/09/17/29/386091729.db2.gz BYRGRJHGFINFQL-UMSGYPCISA-N 2 1 228.355 2.197 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCCC[C@H]1F ZINC000414280088 386091733 /nfs/dbraw/zinc/09/17/33/386091733.db2.gz BYRGRJHGFINFQL-UMSGYPCISA-N 2 1 228.355 2.197 20 0 BEADMP Cc1cncc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000274352043 386091952 /nfs/dbraw/zinc/09/19/52/386091952.db2.gz GMZXRWSXGODEKH-ZDUSSCGKSA-N 2 1 245.370 2.303 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000414887831 386093593 /nfs/dbraw/zinc/09/35/93/386093593.db2.gz JBHJTWQDTNZBKZ-XQHKEYJVSA-N 2 1 210.365 2.153 20 0 BEADMP c1ccc(C[C@@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000647876843 386145182 /nfs/dbraw/zinc/14/51/82/386145182.db2.gz BCUXBKUZSJYEHB-HOTGVXAUSA-N 2 1 244.382 2.161 20 0 BEADMP [NH3+]CCC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000414676186 386149874 /nfs/dbraw/zinc/14/98/74/386149874.db2.gz NBIDMNZHQLMHLX-ZDUSSCGKSA-N 2 1 222.307 2.311 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)CC[N@@H+]1C ZINC000414349996 386150634 /nfs/dbraw/zinc/15/06/34/386150634.db2.gz YUFCXKYZYQPTRU-FDYHWXHSSA-N 2 1 234.343 2.208 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)CC[N@H+]1C ZINC000414349996 386150638 /nfs/dbraw/zinc/15/06/38/386150638.db2.gz YUFCXKYZYQPTRU-FDYHWXHSSA-N 2 1 234.343 2.208 20 0 BEADMP [NH3+][C@@H](C[NH2+]Cc1coc2ccccc12)C1CC1 ZINC000414893355 386160735 /nfs/dbraw/zinc/16/07/35/386160735.db2.gz KFDQOLGPTIAOGB-ZDUSSCGKSA-N 2 1 230.311 2.260 20 0 BEADMP FC1(F)CC[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000310213235 386164843 /nfs/dbraw/zinc/16/48/43/386164843.db2.gz CVRVVEMPKTYPIP-SRVKXCTJSA-N 2 1 244.329 2.106 20 0 BEADMP FC1(F)CC[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000310213235 386164845 /nfs/dbraw/zinc/16/48/45/386164845.db2.gz CVRVVEMPKTYPIP-SRVKXCTJSA-N 2 1 244.329 2.106 20 0 BEADMP Cc1ccc([C@@H]2CCC[N@H+]2CCC[NH3+])cc1 ZINC000414685575 386173100 /nfs/dbraw/zinc/17/31/00/386173100.db2.gz ZVHMIZDCJBTCOU-AWEZNQCLSA-N 2 1 218.344 2.481 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@@H](C)C1 ZINC000414335094 386126696 /nfs/dbraw/zinc/12/66/96/386126696.db2.gz IZMKKGFLGZRAAZ-RFQIPJPRSA-N 2 1 248.370 2.455 20 0 BEADMP C1CC1[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000414895060 386189016 /nfs/dbraw/zinc/18/90/16/386189016.db2.gz VOOKHAYETJCTOK-MELADBBJSA-N 2 1 222.376 2.297 20 0 BEADMP C[N@H+]1CCC[C@]2(CC[NH+](CCC3CC3)C2)C1 ZINC000334466646 386129137 /nfs/dbraw/zinc/12/91/37/386129137.db2.gz DKKRPNMXFLUQCP-AWEZNQCLSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CCC[C@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC000334466646 386129142 /nfs/dbraw/zinc/12/91/42/386129142.db2.gz DKKRPNMXFLUQCP-AWEZNQCLSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC000334466646 386129148 /nfs/dbraw/zinc/12/91/48/386129148.db2.gz DKKRPNMXFLUQCP-AWEZNQCLSA-N 2 1 222.376 2.204 20 0 BEADMP [NH3+]CCC[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000414691845 386189120 /nfs/dbraw/zinc/18/91/20/386189120.db2.gz JVTCFIGXPKGYNV-LBPRGKRZSA-N 2 1 238.762 2.478 20 0 BEADMP [NH3+]CCC[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000414699542 386205616 /nfs/dbraw/zinc/20/56/16/386205616.db2.gz IRIJVWMTSLEJOB-AWEZNQCLSA-N 2 1 236.334 2.181 20 0 BEADMP Oc1ccc([C@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647882071 386217404 /nfs/dbraw/zinc/21/74/04/386217404.db2.gz HZYHKDVUJAMRDZ-SWLSCSKDSA-N 2 1 246.354 2.139 20 0 BEADMP Oc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647882069 386218813 /nfs/dbraw/zinc/21/88/13/386218813.db2.gz HZYHKDVUJAMRDZ-DOMZBBRYSA-N 2 1 246.354 2.139 20 0 BEADMP [NH3+]CCC[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000414707794 386218853 /nfs/dbraw/zinc/21/88/53/386218853.db2.gz ZBLSAVBSWCPREN-UHFFFAOYSA-N 2 1 236.334 2.181 20 0 BEADMP COc1ccccc1/C=C/C[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000415000446 386223660 /nfs/dbraw/zinc/22/36/60/386223660.db2.gz BDFFPQADNYBIJB-RQDOONKYSA-N 2 1 234.343 2.034 20 0 BEADMP CC[NH+]1CCC([N@H+](C)CCOC(C)(C)C)CC1 ZINC000157470876 386224611 /nfs/dbraw/zinc/22/46/11/386224611.db2.gz NANQKWMEXAAKNZ-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+]1CCC([N@@H+](C)CCOC(C)(C)C)CC1 ZINC000157470876 386224613 /nfs/dbraw/zinc/22/46/13/386224613.db2.gz NANQKWMEXAAKNZ-UHFFFAOYSA-N 2 1 242.407 2.218 20 0 BEADMP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339066402 386233681 /nfs/dbraw/zinc/23/36/81/386233681.db2.gz BZKLPLKIBXGSBJ-YUELXQCFSA-N 2 1 248.370 2.427 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1C ZINC000415001907 386235816 /nfs/dbraw/zinc/23/58/16/386235816.db2.gz CQLKYXOUBMXFQV-QWHCGFSZSA-N 2 1 220.360 2.437 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000347117883 386235919 /nfs/dbraw/zinc/23/59/19/386235919.db2.gz XJEVGUDEFHDUBC-PYLYLYNFSA-N 2 1 248.345 2.380 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000347117883 386235923 /nfs/dbraw/zinc/23/59/23/386235923.db2.gz XJEVGUDEFHDUBC-PYLYLYNFSA-N 2 1 248.345 2.380 20 0 BEADMP CCc1nc(C)c([C@@H](C)[N@H+](C)CCC[NH3+])s1 ZINC000414717062 386241107 /nfs/dbraw/zinc/24/11/07/386241107.db2.gz XLZAKMNXWFNCHO-SNVBAGLBSA-N 2 1 241.404 2.356 20 0 BEADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)CCC[NH3+])s1 ZINC000414717062 386241109 /nfs/dbraw/zinc/24/11/09/386241109.db2.gz XLZAKMNXWFNCHO-SNVBAGLBSA-N 2 1 241.404 2.356 20 0 BEADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCC1)C1CC1 ZINC000125277896 386241295 /nfs/dbraw/zinc/24/12/95/386241295.db2.gz TVVQSASDSABEOW-NSHDSACASA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1C[N@@H+](CCC[NH3+])CC[C@@H]1c1ccccc1 ZINC000414718846 386249841 /nfs/dbraw/zinc/24/98/41/386249841.db2.gz ZTOKFJGVMVMGRD-ZFWWWQNUSA-N 2 1 232.371 2.461 20 0 BEADMP [NH3+][C@H](C[NH2+]C/C=C\c1ccc(F)cc1)C1CC1 ZINC000414896090 386196386 /nfs/dbraw/zinc/19/63/86/386196386.db2.gz OEAOYHWWBUOWIV-DDGIKZQJSA-N 2 1 234.318 2.166 20 0 BEADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)c1cccc(O)c1 ZINC000647880368 386196892 /nfs/dbraw/zinc/19/68/92/386196892.db2.gz NSWXFNYNFLZJHY-STQMWFEESA-N 2 1 248.370 2.385 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCSC(C)C)C1 ZINC000336663030 386281649 /nfs/dbraw/zinc/28/16/49/386281649.db2.gz AGRDFTLLEZUWOB-ZDUSSCGKSA-N 2 1 244.448 2.402 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCSC(C)C)C1 ZINC000336663030 386281655 /nfs/dbraw/zinc/28/16/55/386281655.db2.gz AGRDFTLLEZUWOB-ZDUSSCGKSA-N 2 1 244.448 2.402 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCSC(C)C)C1 ZINC000336663030 386281656 /nfs/dbraw/zinc/28/16/56/386281656.db2.gz AGRDFTLLEZUWOB-ZDUSSCGKSA-N 2 1 244.448 2.402 20 0 BEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC000336666805 386294336 /nfs/dbraw/zinc/29/43/36/386294336.db2.gz LHAIIHWPAULLAW-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccn(C)c1 ZINC000289396899 386296312 /nfs/dbraw/zinc/29/63/12/386296312.db2.gz FVLUXHBBAIYWDT-UHFFFAOYSA-N 2 1 249.402 2.333 20 0 BEADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccn(C)c1 ZINC000289396899 386296316 /nfs/dbraw/zinc/29/63/16/386296316.db2.gz FVLUXHBBAIYWDT-UHFFFAOYSA-N 2 1 249.402 2.333 20 0 BEADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647886679 386298939 /nfs/dbraw/zinc/29/89/39/386298939.db2.gz IMVIJOYOMSBCBK-MJBXVCDLSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647886678 386299570 /nfs/dbraw/zinc/29/95/70/386299570.db2.gz IMVIJOYOMSBCBK-MELADBBJSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CC[C@H]([N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414737034 386305306 /nfs/dbraw/zinc/30/53/06/386305306.db2.gz IFTNPZXSIFWRBR-RFGFWPKPSA-N 2 1 224.392 2.495 20 0 BEADMP C[NH+](C)C1CC[NH+](CCCc2ccncc2)CC1 ZINC000347264367 386310022 /nfs/dbraw/zinc/31/00/22/386310022.db2.gz HLRADNAGRSCIPE-UHFFFAOYSA-N 2 1 247.386 2.040 20 0 BEADMP Cc1ccc(C[N@@H+](C)CCC[NH+](C)C)s1 ZINC000265221435 386317246 /nfs/dbraw/zinc/31/72/46/386317246.db2.gz GWXPINXYZSBVRW-UHFFFAOYSA-N 2 1 226.389 2.440 20 0 BEADMP Cc1ccc(C[N@H+](C)CCC[NH+](C)C)s1 ZINC000265221435 386317251 /nfs/dbraw/zinc/31/72/51/386317251.db2.gz GWXPINXYZSBVRW-UHFFFAOYSA-N 2 1 226.389 2.440 20 0 BEADMP C[C@H]1CC[C@H]([N@H+](C)CC[NH2+]C(C)(C)C)C1 ZINC000414737883 386317568 /nfs/dbraw/zinc/31/75/68/386317568.db2.gz IZECIURFSFURBP-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H]1CC[C@H]([N@@H+](C)CC[NH2+]C(C)(C)C)C1 ZINC000414737883 386317571 /nfs/dbraw/zinc/31/75/71/386317571.db2.gz IZECIURFSFURBP-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP Cc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000265225110 386318058 /nfs/dbraw/zinc/31/80/58/386318058.db2.gz HTPINBUQUAFLLD-UHFFFAOYSA-N 2 1 220.360 2.379 20 0 BEADMP Cc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000265225110 386318066 /nfs/dbraw/zinc/31/80/66/386318066.db2.gz HTPINBUQUAFLLD-UHFFFAOYSA-N 2 1 220.360 2.379 20 0 BEADMP Cc1ccc(F)cc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000335260640 386319161 /nfs/dbraw/zinc/31/91/61/386319161.db2.gz NRWBONLFXOLAOE-FZMZJTMJSA-N 2 1 236.334 2.364 20 0 BEADMP CSC1(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)CC1 ZINC000340572803 386264069 /nfs/dbraw/zinc/26/40/69/386264069.db2.gz NWUROYKLLSUSOS-NEPJUHHUSA-N 2 1 242.432 2.297 20 0 BEADMP CSC1(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)CC1 ZINC000340572803 386264073 /nfs/dbraw/zinc/26/40/73/386264073.db2.gz NWUROYKLLSUSOS-NEPJUHHUSA-N 2 1 242.432 2.297 20 0 BEADMP CSC1(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000340572803 386264077 /nfs/dbraw/zinc/26/40/77/386264077.db2.gz NWUROYKLLSUSOS-NEPJUHHUSA-N 2 1 242.432 2.297 20 0 BEADMP CSC1(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000340572803 386264080 /nfs/dbraw/zinc/26/40/80/386264080.db2.gz NWUROYKLLSUSOS-NEPJUHHUSA-N 2 1 242.432 2.297 20 0 BEADMP CCCOc1cccc(C[NH2+][C@H](C)[C@H](C)[NH3+])c1 ZINC000415003895 386264221 /nfs/dbraw/zinc/26/42/21/386264221.db2.gz GRLXGVQRPWSPJE-NWDGAFQWSA-N 2 1 236.359 2.301 20 0 BEADMP CC(C)[N@H+](C)CCCNc1[nH+]cnc2[nH]ccc21 ZINC000339134332 386264482 /nfs/dbraw/zinc/26/44/82/386264482.db2.gz QTVXPAGJGZXLAB-UHFFFAOYSA-N 2 1 247.346 2.052 20 0 BEADMP CC(C)[N@@H+](C)CCCNc1[nH+]cnc2[nH]ccc21 ZINC000339134332 386264484 /nfs/dbraw/zinc/26/44/84/386264484.db2.gz QTVXPAGJGZXLAB-UHFFFAOYSA-N 2 1 247.346 2.052 20 0 BEADMP Cc1ccsc1C[N@@H+](C)CCC[NH+](C)C ZINC000336652035 386267417 /nfs/dbraw/zinc/26/74/17/386267417.db2.gz WBHTYPHOEZGDIR-UHFFFAOYSA-N 2 1 226.389 2.440 20 0 BEADMP Cc1ccsc1C[N@H+](C)CCC[NH+](C)C ZINC000336652035 386267423 /nfs/dbraw/zinc/26/74/23/386267423.db2.gz WBHTYPHOEZGDIR-UHFFFAOYSA-N 2 1 226.389 2.440 20 0 BEADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647884996 386270781 /nfs/dbraw/zinc/27/07/81/386270781.db2.gz VJZIPQPXLXQQED-YIYPIFLZSA-N 2 1 222.376 2.249 20 0 BEADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647889971 386362559 /nfs/dbraw/zinc/36/25/59/386362559.db2.gz CDCZOTCMALWEMK-MELADBBJSA-N 2 1 224.392 2.497 20 0 BEADMP CC(C)C[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647890133 386367534 /nfs/dbraw/zinc/36/75/34/386367534.db2.gz TWIFOQDGLBBYHH-ZIAGYGMSSA-N 2 1 224.392 2.354 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC2CC2)C1 ZINC000336696111 386374448 /nfs/dbraw/zinc/37/44/48/386374448.db2.gz IHIWISKNEILLDL-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC2CC2)C1 ZINC000336696111 386374456 /nfs/dbraw/zinc/37/44/56/386374456.db2.gz IHIWISKNEILLDL-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC000336696111 386374460 /nfs/dbraw/zinc/37/44/60/386374460.db2.gz IHIWISKNEILLDL-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCC1(C)C ZINC000289956444 386376657 /nfs/dbraw/zinc/37/66/57/386376657.db2.gz CEQHEMQFSCNVFC-CYBMUJFWSA-N 2 1 233.359 2.426 20 0 BEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@](C)(F)C1 ZINC000347397183 386385356 /nfs/dbraw/zinc/38/53/56/386385356.db2.gz YVFHKADIEMNBHB-LBPRGKRZSA-N 2 1 225.311 2.016 20 0 BEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@](C)(F)C1 ZINC000347397183 386385359 /nfs/dbraw/zinc/38/53/59/386385359.db2.gz YVFHKADIEMNBHB-LBPRGKRZSA-N 2 1 225.311 2.016 20 0 BEADMP Cc1ccccc1CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000157049200 386329259 /nfs/dbraw/zinc/32/92/59/386329259.db2.gz RLJLOZDBQALZOY-HOCLYGCPSA-N 2 1 246.398 2.467 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC3CCCC3)C[C@@H]21 ZINC000230045022 386335870 /nfs/dbraw/zinc/33/58/70/386335870.db2.gz WLFFXPIBHJRZDU-HZSPNIEDSA-N 2 1 222.376 2.236 20 0 BEADMP CCCC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335275950 386337053 /nfs/dbraw/zinc/33/70/53/386337053.db2.gz BXYMURNAXIZUKQ-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP CC(C)COCC[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000336694482 386389724 /nfs/dbraw/zinc/38/97/24/386389724.db2.gz LJAGFPBPFKSDSH-KBPBESRZSA-N 2 1 242.407 2.074 20 0 BEADMP CC(C)COCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336694482 386389742 /nfs/dbraw/zinc/38/97/42/386389742.db2.gz LJAGFPBPFKSDSH-KBPBESRZSA-N 2 1 242.407 2.074 20 0 BEADMP CC(C)COCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336694482 386389744 /nfs/dbraw/zinc/38/97/44/386389744.db2.gz LJAGFPBPFKSDSH-KBPBESRZSA-N 2 1 242.407 2.074 20 0 BEADMP CC(C)COCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336694482 386389746 /nfs/dbraw/zinc/38/97/46/386389746.db2.gz LJAGFPBPFKSDSH-KBPBESRZSA-N 2 1 242.407 2.074 20 0 BEADMP CSc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000415008609 386390459 /nfs/dbraw/zinc/39/04/59/386390459.db2.gz MZDCWKLMNHDPQF-UWVGGRQHSA-N 2 1 224.373 2.234 20 0 BEADMP Cc1ccc(CCC[N@H+](C)C2CC[NH2+]CC2)cn1 ZINC000339409280 386413799 /nfs/dbraw/zinc/41/37/99/386413799.db2.gz YGYWSFKFKRFHSZ-UHFFFAOYSA-N 2 1 247.386 2.006 20 0 BEADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOC(C)C)C1 ZINC000336708636 386417463 /nfs/dbraw/zinc/41/74/63/386417463.db2.gz IQCZEADOTBPOHL-AWEZNQCLSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOC(C)C)C1 ZINC000336708636 386417469 /nfs/dbraw/zinc/41/74/69/386417469.db2.gz IQCZEADOTBPOHL-AWEZNQCLSA-N 2 1 242.407 2.075 20 0 BEADMP C[NH+]1CCC([NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)CC1 ZINC000290550938 386452134 /nfs/dbraw/zinc/45/21/34/386452134.db2.gz RTVIXPPDHACETE-ARFHVFGLSA-N 2 1 242.366 2.009 20 0 BEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCc2ccccn2)CC1 ZINC000277272178 386425183 /nfs/dbraw/zinc/42/51/83/386425183.db2.gz RRFJQCLPCCNSCV-OAHLLOKOSA-N 2 1 247.386 2.040 20 0 BEADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000399173387 386434186 /nfs/dbraw/zinc/43/41/86/386434186.db2.gz PBOMNUQGPBJWFZ-IGQOVBAYSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@@H]([NH2+]Cc1ccc(OCC2CC2)cc1)[C@H](C)[NH3+] ZINC000415019256 386492775 /nfs/dbraw/zinc/49/27/75/386492775.db2.gz RTXIOLQVAGOQGQ-NWDGAFQWSA-N 2 1 248.370 2.301 20 0 BEADMP COc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000415042141 386529416 /nfs/dbraw/zinc/52/94/16/386529416.db2.gz MEAXXGPBBJWOKY-HNNXBMFYSA-N 2 1 248.370 2.302 20 0 BEADMP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1Cl ZINC000415014964 386500225 /nfs/dbraw/zinc/50/02/25/386500225.db2.gz MOGCKIWEQVUINL-UWVGGRQHSA-N 2 1 226.751 2.474 20 0 BEADMP C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)[C@H](C)[NH3+] ZINC000415022590 386511134 /nfs/dbraw/zinc/51/11/34/386511134.db2.gz VPHULTDLTHDORR-WDEREUQCSA-N 2 1 218.344 2.389 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)CC1CC1 ZINC000156802939 386512034 /nfs/dbraw/zinc/51/20/34/386512034.db2.gz FODOFLJONFVTMT-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)CC1CC1 ZINC000156802939 386512043 /nfs/dbraw/zinc/51/20/43/386512043.db2.gz FODOFLJONFVTMT-LBPRGKRZSA-N 2 1 212.381 2.497 20 0 BEADMP Cc1cc(C)cc(C[NH2+]C[C@H]([NH3+])C(C)C)c1 ZINC000414787280 386523046 /nfs/dbraw/zinc/52/30/46/386523046.db2.gz CDEYQQNSJYQSND-AWEZNQCLSA-N 2 1 220.360 2.376 20 0 BEADMP CC(C)CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415041295 386526525 /nfs/dbraw/zinc/52/65/25/386526525.db2.gz LJESLLVSXGLUME-UONOGXRCSA-N 2 1 224.392 2.497 20 0 BEADMP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000094338824 386456692 /nfs/dbraw/zinc/45/66/92/386456692.db2.gz BTFFKLRFYNDOMV-IUODEOHRSA-N 2 1 248.370 2.254 20 0 BEADMP CC[N@@H+](C)C[C@H]1CCN([C@H](C)c2cccnc2)C1 ZINC000266624837 386458875 /nfs/dbraw/zinc/45/88/75/386458875.db2.gz NFTPFXPBLVSPAJ-ZIAGYGMSSA-N 2 1 247.386 2.416 20 0 BEADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cccnc2)C1 ZINC000266624837 386458879 /nfs/dbraw/zinc/45/88/79/386458879.db2.gz NFTPFXPBLVSPAJ-ZIAGYGMSSA-N 2 1 247.386 2.416 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cccnc2)C1 ZINC000266624837 386458883 /nfs/dbraw/zinc/45/88/83/386458883.db2.gz NFTPFXPBLVSPAJ-ZIAGYGMSSA-N 2 1 247.386 2.416 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2cccnc2)C1 ZINC000266624837 386458888 /nfs/dbraw/zinc/45/88/88/386458888.db2.gz NFTPFXPBLVSPAJ-ZIAGYGMSSA-N 2 1 247.386 2.416 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2cccnc2)C1 ZINC000266624837 386458891 /nfs/dbraw/zinc/45/88/91/386458891.db2.gz NFTPFXPBLVSPAJ-ZIAGYGMSSA-N 2 1 247.386 2.416 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000414921512 386577681 /nfs/dbraw/zinc/57/76/81/386577681.db2.gz BSKIVZFFNOAIPO-YUELXQCFSA-N 2 1 232.371 2.335 20 0 BEADMP CC(C)Oc1cccc(C[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000414800876 386587234 /nfs/dbraw/zinc/58/72/34/386587234.db2.gz LNRGYOKGYXKXLX-HNNXBMFYSA-N 2 1 248.370 2.301 20 0 BEADMP CCCC[N@@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH3+])C1 ZINC000337043373 386592213 /nfs/dbraw/zinc/59/22/13/386592213.db2.gz CVEFKETZJLARFP-GJZGRUSLSA-N 2 1 232.371 2.461 20 0 BEADMP C[C@H](CCC1CC1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000414922756 386592971 /nfs/dbraw/zinc/59/29/71/386592971.db2.gz GLWXWZNVPIHNPD-LOWVWBTDSA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cccc(F)c1 ZINC000415046534 386531848 /nfs/dbraw/zinc/53/18/48/386531848.db2.gz CRWQZJRVSXGXAL-GFCCVEGCSA-N 2 1 224.323 2.289 20 0 BEADMP CC[C@H](C)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789066 386534983 /nfs/dbraw/zinc/53/49/83/386534983.db2.gz XUFANYGWCGZELO-IHRRRGAJSA-N 2 1 224.392 2.354 20 0 BEADMP CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](CCN)C1 ZINC000647995413 386539383 /nfs/dbraw/zinc/53/93/83/386539383.db2.gz VVLGEQQQTKVPKV-VXGBXAGGSA-N 2 1 210.365 2.093 20 0 BEADMP CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](CC[NH3+])C1 ZINC000647995413 386539393 /nfs/dbraw/zinc/53/93/93/386539393.db2.gz VVLGEQQQTKVPKV-VXGBXAGGSA-N 2 1 210.365 2.093 20 0 BEADMP Cc1nc(C)c(C[NH2+][C@H](CN)C(C)(C)C)s1 ZINC000415059837 386542245 /nfs/dbraw/zinc/54/22/45/386542245.db2.gz ZJMKOHRFRJQGCN-LLVKDONJSA-N 2 1 241.404 2.223 20 0 BEADMP Cc1cc(C[NH2+][C@H](C[NH3+])C2CC2)ccc1Cl ZINC000414790835 386545465 /nfs/dbraw/zinc/54/54/65/386545465.db2.gz ALFOWKDTZDPPCP-CYBMUJFWSA-N 2 1 238.762 2.475 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H](C[NH3+])C1CC1 ZINC000414791513 386549599 /nfs/dbraw/zinc/54/95/99/386549599.db2.gz BKIGHQLYVKKXJM-RAIGVLPGSA-N 2 1 210.365 2.140 20 0 BEADMP CCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975304 386550208 /nfs/dbraw/zinc/55/02/08/386550208.db2.gz VNNXJHPPAJRXTC-ZIAGYGMSSA-N 2 1 224.392 2.498 20 0 BEADMP C[C@H]1CCC[C@@H](C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000414791942 386551431 /nfs/dbraw/zinc/55/14/31/386551431.db2.gz RQQGFRNYPYSNIW-LJISPDSOSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H]1CCC[C@@H](C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000414791942 386551434 /nfs/dbraw/zinc/55/14/34/386551434.db2.gz RQQGFRNYPYSNIW-LJISPDSOSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000414791941 386551496 /nfs/dbraw/zinc/55/14/96/386551496.db2.gz RQQGFRNYPYSNIW-APIJFGDWSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000414791941 386551499 /nfs/dbraw/zinc/55/14/99/386551499.db2.gz RQQGFRNYPYSNIW-APIJFGDWSA-N 2 1 236.403 2.497 20 0 BEADMP CC[C@H](C)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415053102 386554216 /nfs/dbraw/zinc/55/42/16/386554216.db2.gz NZOOVTCGKDKULK-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP CCCC[C@@H](COC)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415070477 386554678 /nfs/dbraw/zinc/55/46/78/386554678.db2.gz VCYUZLDAWZFUHB-UONOGXRCSA-N 2 1 242.407 2.299 20 0 BEADMP CCCC[C@H](COC)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415070475 386555125 /nfs/dbraw/zinc/55/51/25/386555125.db2.gz VCYUZLDAWZFUHB-KGLIPLIRSA-N 2 1 242.407 2.299 20 0 BEADMP CC(C)([NH3+])C[NH2+]C/C=C\c1ccc(F)cc1F ZINC000414802585 386597431 /nfs/dbraw/zinc/59/74/31/386597431.db2.gz KSWJJRSESWNHOT-ARJAWSKDSA-N 2 1 240.297 2.305 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(Cl)cs1 ZINC000414793012 386560374 /nfs/dbraw/zinc/56/03/74/386560374.db2.gz JOQUNHOLCSDQBD-SNVBAGLBSA-N 2 1 232.780 2.474 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCCCOc1ccccc1 ZINC000414795032 386569342 /nfs/dbraw/zinc/56/93/42/386569342.db2.gz USQDKOJWBNWLPI-ZFWWWQNUSA-N 2 1 248.370 2.267 20 0 BEADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCCCOc1ccccc1 ZINC000414795032 386569348 /nfs/dbraw/zinc/56/93/48/386569348.db2.gz USQDKOJWBNWLPI-ZFWWWQNUSA-N 2 1 248.370 2.267 20 0 BEADMP C[C@@H]([NH3+])C[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000647996282 386571646 /nfs/dbraw/zinc/57/16/46/386571646.db2.gz JZUPJYOLAIHTHO-SNVBAGLBSA-N 2 1 222.307 2.142 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000414795161 386573334 /nfs/dbraw/zinc/57/33/34/386573334.db2.gz MTFPKWWSNLQCST-NQHOJNORSA-N 2 1 236.334 2.412 20 0 BEADMP C[C@@H]1CC(C)(C)C[N@@H+]1CC[NH2+]C(C)(C)C ZINC000415111682 386621839 /nfs/dbraw/zinc/62/18/39/386621839.db2.gz APDZVASWYZIZMO-LLVKDONJSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@@H]1CC(C)(C)C[N@H+]1CC[NH2+]C(C)(C)C ZINC000415111682 386621845 /nfs/dbraw/zinc/62/18/45/386621845.db2.gz APDZVASWYZIZMO-LLVKDONJSA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300924116 386633546 /nfs/dbraw/zinc/63/35/46/386633546.db2.gz LRFSLUTWBMJOTR-GARJFASQSA-N 2 1 232.318 2.091 20 0 BEADMP C[N@@H+](CCCC[NH2+]Cc1ccco1)C1CC1 ZINC000453595684 386643098 /nfs/dbraw/zinc/64/30/98/386643098.db2.gz KMCSFKWWPGUCCX-UHFFFAOYSA-N 2 1 222.332 2.244 20 0 BEADMP CCCC[N@@H+](C[C@@]1(C)CC[NH2+]C1)C1CC1 ZINC000062911736 386653803 /nfs/dbraw/zinc/65/38/03/386653803.db2.gz QNSXWTSVCPOCQX-ZDUSSCGKSA-N 2 1 210.365 2.251 20 0 BEADMP Cc1ccc(C)c(C[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000414803233 386600573 /nfs/dbraw/zinc/60/05/73/386600573.db2.gz NJIFCXCWQRREOB-CQSZACIVSA-N 2 1 218.344 2.130 20 0 BEADMP CCCc1cccc(C[NH2+]CC(C)(C)[NH3+])c1 ZINC000414802119 386604103 /nfs/dbraw/zinc/60/41/03/386604103.db2.gz KBOHWLHXTSGIIK-UHFFFAOYSA-N 2 1 220.360 2.466 20 0 BEADMP Cc1cc(Cl)ccc1C[NH2+]CC(C)(C)[NH3+] ZINC000414805924 386606205 /nfs/dbraw/zinc/60/62/05/386606205.db2.gz PFXPBLKEBMQPKZ-UHFFFAOYSA-N 2 1 226.751 2.475 20 0 BEADMP FCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978567 386606986 /nfs/dbraw/zinc/60/69/86/386606986.db2.gz UWORQOSCYUECBA-STQMWFEESA-N 2 1 228.355 2.058 20 0 BEADMP CC(C)([NH3+])C[NH2+]CCOc1cccc(Cl)c1 ZINC000415088592 386607512 /nfs/dbraw/zinc/60/75/12/386607512.db2.gz VLBOHZAYKBXVFW-UHFFFAOYSA-N 2 1 242.750 2.046 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@H](C[NH3+])C2CC2)cc1C ZINC000414804302 386609398 /nfs/dbraw/zinc/60/93/98/386609398.db2.gz OOLKDFMNQXRODJ-OAHLLOKOSA-N 2 1 232.371 2.439 20 0 BEADMP C[C@H]([NH2+][C@H]1CC[NH2+]C1)C(C)(C)c1ccccc1 ZINC000415091711 386611432 /nfs/dbraw/zinc/61/14/32/386611432.db2.gz ZQRAPLDKYGZTPC-JSGCOSHPSA-N 2 1 232.371 2.304 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000335495421 386616223 /nfs/dbraw/zinc/61/62/23/386616223.db2.gz ILBCOEYYZMDQGS-MFKMUULPSA-N 2 1 218.344 2.346 20 0 BEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000300799594 386617972 /nfs/dbraw/zinc/61/79/72/386617972.db2.gz CTRMBHOSIKMXJO-GMTAPVOTSA-N 2 1 232.318 2.091 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414819863 386661826 /nfs/dbraw/zinc/66/18/26/386661826.db2.gz ZVNZSQLAJLKVFP-SWLSCSKDSA-N 3 1 249.402 2.169 20 0 BEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000335525083 386669138 /nfs/dbraw/zinc/66/91/38/386669138.db2.gz CELOFMGZORDOCR-DZGCQCFKSA-N 2 1 241.338 2.204 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000414821943 386669469 /nfs/dbraw/zinc/66/94/69/386669469.db2.gz CZKALMWQUPSGKI-LLVKDONJSA-N 2 1 240.778 2.470 20 0 BEADMP C[NH2+]CC[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000414821000 386674320 /nfs/dbraw/zinc/67/43/20/386674320.db2.gz DMWDUTLUUHOUQO-SNVBAGLBSA-N 2 1 226.751 2.253 20 0 BEADMP Cc1ccc(CN2CC[C@]3(CC[N@H+](C)C3)C2)o1 ZINC000292691861 386710794 /nfs/dbraw/zinc/71/07/94/386710794.db2.gz BMVUYVOCJORSFN-AWEZNQCLSA-N 2 1 234.343 2.116 20 0 BEADMP C[NH2+]CC[NH2+][C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000414824347 386683511 /nfs/dbraw/zinc/68/35/11/386683511.db2.gz KERVXBDOZWQPOG-CABCVRRESA-N 2 1 232.371 2.440 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000335468894 386685382 /nfs/dbraw/zinc/68/53/82/386685382.db2.gz VCZUAZPRSROULT-YGRLFVJLSA-N 2 1 243.354 2.482 20 0 BEADMP [NH3+][C@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000050244024 386691927 /nfs/dbraw/zinc/69/19/27/386691927.db2.gz FJDYLFLOLRRGFQ-JTQLQIEISA-N 2 1 247.729 2.426 20 0 BEADMP C[NH2+]CC[NH2+][C@H](C)C[C@@H](C)CC(C)C ZINC000414828623 386697580 /nfs/dbraw/zinc/69/75/80/386697580.db2.gz LAWVIIQMEPGXQO-NWDGAFQWSA-N 2 1 200.370 2.256 20 0 BEADMP C[C@H](C1CCC1)[N@@H+](C)CCn1ccnc1 ZINC000357045331 386700164 /nfs/dbraw/zinc/70/01/64/386700164.db2.gz WOJVYZCDBXXVNP-LLVKDONJSA-N 2 1 207.321 2.004 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000324980402 386702358 /nfs/dbraw/zinc/70/23/58/386702358.db2.gz RBROINRIJSXODF-CQSZACIVSA-N 2 1 233.359 2.360 20 0 BEADMP C(CC1CCCC1)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357068179 386707428 /nfs/dbraw/zinc/70/74/28/386707428.db2.gz DKWFPLQEUWACPA-CABCVRRESA-N 2 1 236.403 2.498 20 0 BEADMP Cc1c[nH+]ccc1NCC[N@H+](C)C1CCCCC1 ZINC000357185900 386733784 /nfs/dbraw/zinc/73/37/84/386733784.db2.gz JJXIJZJFUYDSKN-UHFFFAOYSA-N 2 1 247.386 2.488 20 0 BEADMP [NH3+]C[C@H]([NH2+]Cc1ccncc1)C1CCCCC1 ZINC000414840455 386737666 /nfs/dbraw/zinc/73/76/66/386737666.db2.gz MIIBPPRQBRSBAG-AWEZNQCLSA-N 2 1 233.359 2.079 20 0 BEADMP Cc1ccoc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292874248 386737864 /nfs/dbraw/zinc/73/78/64/386737864.db2.gz WUVJUFUPJJTRLS-CQSZACIVSA-N 2 1 234.343 2.116 20 0 BEADMP Cc1ccoc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292874248 386737870 /nfs/dbraw/zinc/73/78/70/386737870.db2.gz WUVJUFUPJJTRLS-CQSZACIVSA-N 2 1 234.343 2.116 20 0 BEADMP Cc1ccoc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292874248 386737876 /nfs/dbraw/zinc/73/78/76/386737876.db2.gz WUVJUFUPJJTRLS-CQSZACIVSA-N 2 1 234.343 2.116 20 0 BEADMP Cc1ccoc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292874248 386737880 /nfs/dbraw/zinc/73/78/80/386737880.db2.gz WUVJUFUPJJTRLS-CQSZACIVSA-N 2 1 234.343 2.116 20 0 BEADMP Cc1ccoc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292874246 386739085 /nfs/dbraw/zinc/73/90/85/386739085.db2.gz WUVJUFUPJJTRLS-AWEZNQCLSA-N 2 1 234.343 2.116 20 0 BEADMP Cc1ccoc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292874246 386739091 /nfs/dbraw/zinc/73/90/91/386739091.db2.gz WUVJUFUPJJTRLS-AWEZNQCLSA-N 2 1 234.343 2.116 20 0 BEADMP Cc1ccoc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292874246 386739098 /nfs/dbraw/zinc/73/90/98/386739098.db2.gz WUVJUFUPJJTRLS-AWEZNQCLSA-N 2 1 234.343 2.116 20 0 BEADMP Cc1ccoc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292874246 386739103 /nfs/dbraw/zinc/73/91/03/386739103.db2.gz WUVJUFUPJJTRLS-AWEZNQCLSA-N 2 1 234.343 2.116 20 0 BEADMP COC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000302509837 386718623 /nfs/dbraw/zinc/71/86/23/386718623.db2.gz VCUVECROUXEYJS-AVGNSLFASA-N 2 1 240.391 2.016 20 0 BEADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cccc(F)c1 ZINC000414832820 386719722 /nfs/dbraw/zinc/71/97/22/386719722.db2.gz DYFIBTBNWYKPSF-ZDUSSCGKSA-N 2 1 224.323 2.289 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(C)ccc1F ZINC000414834825 386722550 /nfs/dbraw/zinc/72/25/50/386722550.db2.gz HXIGMLUXIUUWKD-LLVKDONJSA-N 2 1 224.323 2.079 20 0 BEADMP C[NH+](C)CCSCC[C@@H]1CCCC[N@H+]1C ZINC000340697114 386728645 /nfs/dbraw/zinc/72/86/45/386728645.db2.gz OTAUOFYIQCEWPK-LBPRGKRZSA-N 2 1 230.421 2.156 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000414930240 386740519 /nfs/dbraw/zinc/74/05/19/386740519.db2.gz PQLITYMDZXZZTB-GHMZBOCLSA-N 2 1 224.323 2.084 20 0 BEADMP Cc1ccc(CC[C@@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000414931103 386758444 /nfs/dbraw/zinc/75/84/44/386758444.db2.gz QTJGHANBILXLHE-CHWSQXEVSA-N 2 1 220.360 2.253 20 0 BEADMP CCSCC[C@H](C)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000340712623 386759881 /nfs/dbraw/zinc/75/98/81/386759881.db2.gz PNEKRJAQTYOIDQ-QWHCGFSZSA-N 2 1 244.448 2.450 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000414931411 386759878 /nfs/dbraw/zinc/75/98/78/386759878.db2.gz PZJIBIHRUHKRNL-SYAUCNOPSA-N 2 1 244.382 2.378 20 0 BEADMP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H](C)C[NH3+] ZINC000414931742 386767709 /nfs/dbraw/zinc/76/77/09/386767709.db2.gz RTIYJNCGCNCFOU-SECBINFHSA-N 2 1 246.276 2.451 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000335537718 386741084 /nfs/dbraw/zinc/74/10/84/386741084.db2.gz BBOPMJHIWCGSDZ-YPMHNXCESA-N 2 1 222.376 2.439 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000335537716 386742389 /nfs/dbraw/zinc/74/23/89/386742389.db2.gz BBOPMJHIWCGSDZ-DGCLKSJQSA-N 2 1 222.376 2.439 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000414932246 386769155 /nfs/dbraw/zinc/76/91/55/386769155.db2.gz QVUWSIHYHLYEBM-FVCCEPFGSA-N 2 1 210.365 2.153 20 0 BEADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1CCC[C@@H]1C1CC1)C2 ZINC000353652838 386773865 /nfs/dbraw/zinc/77/38/65/386773865.db2.gz XUGWSOUWNUTZOJ-UPJWGTAASA-N 2 1 245.370 2.435 20 0 BEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCS1 ZINC000336667821 386786499 /nfs/dbraw/zinc/78/64/99/386786499.db2.gz QLNDSTJZBWLMTJ-ZDUSSCGKSA-N 2 1 240.416 2.098 20 0 BEADMP CC(C)C[C@H](C)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000414935549 386819380 /nfs/dbraw/zinc/81/93/80/386819380.db2.gz UJKIRITWQYRNIZ-AVGNSLFASA-N 2 1 212.381 2.256 20 0 BEADMP Cc1cc(Cl)cc(C)c1C[NH2+][C@@H](C)C[NH3+] ZINC000414934857 386801475 /nfs/dbraw/zinc/80/14/75/386801475.db2.gz AMFYFAVYRHYDID-JTQLQIEISA-N 2 1 226.751 2.394 20 0 BEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000300670856 386801725 /nfs/dbraw/zinc/80/17/25/386801725.db2.gz XWYUCUWIFQDRMR-OLZOCXBDSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000300670856 386801731 /nfs/dbraw/zinc/80/17/31/386801731.db2.gz XWYUCUWIFQDRMR-OLZOCXBDSA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[NH+](CC)CC)CCO1 ZINC000648413223 386810347 /nfs/dbraw/zinc/81/03/47/386810347.db2.gz KBDXXYUAKZGFPI-HZSPNIEDSA-N 2 1 242.407 2.264 20 0 BEADMP Cc1cc(C)c(C[NH2+][C@@H](C)C[NH3+])cc1C ZINC000414936423 386828068 /nfs/dbraw/zinc/82/80/68/386828068.db2.gz CTHZEBZCTQRURC-LBPRGKRZSA-N 2 1 206.333 2.049 20 0 BEADMP CCCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000249335652 386828937 /nfs/dbraw/zinc/82/89/37/386828937.db2.gz YUXAOOKQNMXUKB-JHJVBQTASA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H](CCC(F)(F)F)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000414936460 386831611 /nfs/dbraw/zinc/83/16/11/386831611.db2.gz UXVWMGDEXDIMON-BBBLOLIVSA-N 2 1 238.297 2.305 20 0 BEADMP C[C@H](C[NH3+])[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000414936507 386832446 /nfs/dbraw/zinc/83/24/46/386832446.db2.gz WAVRBZWWWOOTOD-SECBINFHSA-N 2 1 249.745 2.325 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]2SC)C1 ZINC000425339404 386839990 /nfs/dbraw/zinc/83/99/90/386839990.db2.gz CMWXOWQZOJUBOP-UPJWGTAASA-N 2 1 242.432 2.202 20 0 BEADMP C[C@@H]1Cc2ccccc2C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000334784452 386842174 /nfs/dbraw/zinc/84/21/74/386842174.db2.gz MDDJVTCGPAZOEP-ZIAGYGMSSA-N 2 1 244.382 2.433 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000414936844 386844165 /nfs/dbraw/zinc/84/41/65/386844165.db2.gz WVVWQLLBLZFKTA-MRVWCRGKSA-N 2 1 218.344 2.260 20 0 BEADMP Cc1nc(NCC2CC[NH+](C)CC2)c(C)c(C)[nH+]1 ZINC000301674351 386866474 /nfs/dbraw/zinc/86/64/74/386866474.db2.gz GVCFYZBFMWZZOR-UHFFFAOYSA-N 2 1 248.374 2.156 20 0 BEADMP Cc1nocc1C[NH2+]CCCCn1cc[nH+]c1C ZINC000293719159 386866692 /nfs/dbraw/zinc/86/66/92/386866692.db2.gz YIHGLPYIXGCVQO-UHFFFAOYSA-N 2 1 248.330 2.058 20 0 BEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)C1CCCC1 ZINC000336739401 386879395 /nfs/dbraw/zinc/87/93/95/386879395.db2.gz LFDUOGGCNHGUHO-NSHDSACASA-N 2 1 221.348 2.131 20 0 BEADMP C[C@@H](C[NH3+])[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000414941782 386886027 /nfs/dbraw/zinc/88/60/27/386886027.db2.gz JHXVKYIODPCUCV-VIFPVBQESA-N 2 1 226.389 2.482 20 0 BEADMP Cc1ccc(F)c(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000334858853 386910877 /nfs/dbraw/zinc/91/08/77/386910877.db2.gz WIQFXIXCICZYMA-SMDDNHRTSA-N 2 1 236.334 2.222 20 0 BEADMP Cc1ccc(F)c(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000334858846 386911275 /nfs/dbraw/zinc/91/12/75/386911275.db2.gz WIQFXIXCICZYMA-BXUZGUMPSA-N 2 1 236.334 2.222 20 0 BEADMP c1cncc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000334867976 386925998 /nfs/dbraw/zinc/92/59/98/386925998.db2.gz HEOBKYZNFJNTQQ-GJZGRUSLSA-N 2 1 245.370 2.046 20 0 BEADMP CCSCC[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000336763056 386936553 /nfs/dbraw/zinc/93/65/53/386936553.db2.gz LVBBSIQIDMNFGD-ZDUSSCGKSA-N 2 1 244.448 2.450 20 0 BEADMP C[C@H]1C[C@H](C[N@H+]2CCCC23CCC3)CC[NH2+]1 ZINC000334816833 386942675 /nfs/dbraw/zinc/94/26/75/386942675.db2.gz BXKZKMZPOMJAIM-QWHCGFSZSA-N 2 1 222.376 2.393 20 0 BEADMP CS[C@@H]1CC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000425355359 386965308 /nfs/dbraw/zinc/96/53/08/386965308.db2.gz OLOFRQRUVYTMGE-VXGBXAGGSA-N 2 1 239.388 2.065 20 0 BEADMP CS[C@H]1CC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000425355354 386965576 /nfs/dbraw/zinc/96/55/76/386965576.db2.gz OLOFRQRUVYTMGE-NEPJUHHUSA-N 2 1 239.388 2.065 20 0 BEADMP CCC[C@H](C)C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000353013070 386989330 /nfs/dbraw/zinc/98/93/30/386989330.db2.gz YZCYITHVUYGPIK-BFHYXJOUSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000353013070 386989332 /nfs/dbraw/zinc/98/93/32/386989332.db2.gz YZCYITHVUYGPIK-BFHYXJOUSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000353013070 386989338 /nfs/dbraw/zinc/98/93/38/386989338.db2.gz YZCYITHVUYGPIK-BFHYXJOUSA-N 2 1 224.392 2.449 20 0 BEADMP CCC[C@H](C)C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000353013070 386989343 /nfs/dbraw/zinc/98/93/43/386989343.db2.gz YZCYITHVUYGPIK-BFHYXJOUSA-N 2 1 224.392 2.449 20 0 BEADMP CSC1(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000367317258 386991648 /nfs/dbraw/zinc/99/16/48/386991648.db2.gz JGDWBFHHAGTCBX-LBPRGKRZSA-N 2 1 242.432 2.298 20 0 BEADMP c1ccc(CCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000336786236 386992989 /nfs/dbraw/zinc/99/29/89/386992989.db2.gz BLSBULBRIMFOLM-CVEARBPZSA-N 2 1 244.382 2.161 20 0 BEADMP C[N@H+](Cc1ccc2c(c1)CCC2)[C@H](CN)C1CC1 ZINC000160042640 387041899 /nfs/dbraw/zinc/04/18/99/387041899.db2.gz VUBGBFSPYDFGPP-MRXNPFEDSA-N 2 1 244.382 2.344 20 0 BEADMP C[N@H+](Cc1ccc2c(c1)CCC2)[C@H](C[NH3+])C1CC1 ZINC000160042640 387041912 /nfs/dbraw/zinc/04/19/12/387041912.db2.gz VUBGBFSPYDFGPP-MRXNPFEDSA-N 2 1 244.382 2.344 20 0 BEADMP C[N@@H+](Cc1ccc2c(c1)CCC2)[C@H](C[NH3+])C1CC1 ZINC000160042640 387041916 /nfs/dbraw/zinc/04/19/16/387041916.db2.gz VUBGBFSPYDFGPP-MRXNPFEDSA-N 2 1 244.382 2.344 20 0 BEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000070074205 387043480 /nfs/dbraw/zinc/04/34/80/387043480.db2.gz ANRRTNRCUIFBLO-GFCCVEGCSA-N 2 1 236.334 2.387 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)[C@H](C)C1 ZINC000425957014 387045613 /nfs/dbraw/zinc/04/56/13/387045613.db2.gz ZNQKZYYBVOWSPW-ZYHUDNBSSA-N 2 1 246.345 2.352 20 0 BEADMP CC[N@H+](CC[NH2+][C@@H]1C[C@@H](C)[C@H]1C)C(C)C ZINC000336764404 387045675 /nfs/dbraw/zinc/04/56/75/387045675.db2.gz PVQGIDAUNSPKPX-JHJVBQTASA-N 2 1 212.381 2.351 20 0 BEADMP CC[N@@H+](CC[NH2+][C@@H]1C[C@@H](C)[C@H]1C)C(C)C ZINC000336764404 387045681 /nfs/dbraw/zinc/04/56/81/387045681.db2.gz PVQGIDAUNSPKPX-JHJVBQTASA-N 2 1 212.381 2.351 20 0 BEADMP C(C[N@H+]1C[C@@H]2CCC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000126264370 387013148 /nfs/dbraw/zinc/01/31/48/387013148.db2.gz TVXBEYFWKNUNMU-OKILXGFUSA-N 2 1 222.376 2.108 20 0 BEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000070977047 387086324 /nfs/dbraw/zinc/08/63/24/387086324.db2.gz YWFCVJBBGWFRJN-YPMHNXCESA-N 2 1 236.334 2.385 20 0 BEADMP Cc1cc2cc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])ccc2[nH]1 ZINC000335008157 387102635 /nfs/dbraw/zinc/10/26/35/387102635.db2.gz HCZDQKXOOCMWLP-UKRRQHHQSA-N 2 1 243.354 2.446 20 0 BEADMP CC(C)CCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228545984 387103364 /nfs/dbraw/zinc/10/33/64/387103364.db2.gz NSIDJBWTQFTMLK-BFHYXJOUSA-N 2 1 224.392 2.482 20 0 BEADMP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)C)s1 ZINC000336766814 387106583 /nfs/dbraw/zinc/10/65/83/387106583.db2.gz PISXESIOSRWZFO-UHFFFAOYSA-N 2 1 241.404 2.340 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CC1(C)C ZINC000353086769 387114227 /nfs/dbraw/zinc/11/42/27/387114227.db2.gz WQAHTBWUWDSHKA-GFCCVEGCSA-N 2 1 233.359 2.283 20 0 BEADMP Cc1cncc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000335024218 387115054 /nfs/dbraw/zinc/11/50/54/387115054.db2.gz ARYIGUOTASXWJE-ZIAGYGMSSA-N 2 1 233.359 2.140 20 0 BEADMP C[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000113712686 387119845 /nfs/dbraw/zinc/11/98/45/387119845.db2.gz XPHPALXWUBCYHP-CQSZACIVSA-N 2 1 236.334 2.400 20 0 BEADMP CCOc1cccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000250507083 387124535 /nfs/dbraw/zinc/12/45/35/387124535.db2.gz FQZNAAUGYWLEPT-OCCSQVGLSA-N 2 1 248.370 2.254 20 0 BEADMP COCC[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000186732544 387130133 /nfs/dbraw/zinc/13/01/33/387130133.db2.gz DBWHSFJAQSYUKJ-KGLIPLIRSA-N 2 1 242.407 2.266 20 0 BEADMP CCCC[N@@H+](CCOC)CCC1CC[NH2+]CC1 ZINC000359213812 387067713 /nfs/dbraw/zinc/06/77/13/387067713.db2.gz GOPVZMHQJKSZJE-UHFFFAOYSA-N 2 1 242.407 2.125 20 0 BEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCOc2ccccc2)C1 ZINC000070533449 387068188 /nfs/dbraw/zinc/06/81/88/387068188.db2.gz VPJKLIRPBAFYLU-AWEZNQCLSA-N 2 1 248.370 2.126 20 0 BEADMP FC(F)(F)CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334980886 387068537 /nfs/dbraw/zinc/06/85/37/387068537.db2.gz PYLFMQUETVPAOO-SNVBAGLBSA-N 2 1 236.281 2.014 20 0 BEADMP FC(F)(F)CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334980886 387068542 /nfs/dbraw/zinc/06/85/42/387068542.db2.gz PYLFMQUETVPAOO-SNVBAGLBSA-N 2 1 236.281 2.014 20 0 BEADMP CC[C@H]([NH2+]CC1C[NH2+]C1)c1cc(C)ccc1OC ZINC000423306142 387142173 /nfs/dbraw/zinc/14/21/73/387142173.db2.gz SCECLHDSHQFDRI-AWEZNQCLSA-N 2 1 248.370 2.264 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)s1 ZINC000423325054 387143788 /nfs/dbraw/zinc/14/37/88/387143788.db2.gz PWNOGFSSEKWNFV-GXSJLCMTSA-N 2 1 224.373 2.444 20 0 BEADMP CCC[NH2+]CC[NH2+][C@@H]1C[C@H](OC)C1(CC)CC ZINC000423310489 387146406 /nfs/dbraw/zinc/14/64/06/387146406.db2.gz NLSJIUNKKAEWEM-OLZOCXBDSA-N 2 1 242.407 2.169 20 0 BEADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000643495512 387146506 /nfs/dbraw/zinc/14/65/06/387146506.db2.gz IYUXXRZSFSGAPD-YVECIDJPSA-N 2 1 234.343 2.385 20 0 BEADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000643495511 387147061 /nfs/dbraw/zinc/14/70/61/387147061.db2.gz IYUXXRZSFSGAPD-MROQNXINSA-N 2 1 234.343 2.385 20 0 BEADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)CC2 ZINC000423313171 387151478 /nfs/dbraw/zinc/15/14/78/387151478.db2.gz FGKBUYCCJIEJPF-GJZGRUSLSA-N 2 1 246.354 2.009 20 0 BEADMP [NH3+][C@@H](C[NH2+][C@H]1CCc2c1cccc2F)C1CC1 ZINC000423314693 387153114 /nfs/dbraw/zinc/15/31/14/387153114.db2.gz HNQIRAPUHZREKB-KBPBESRZSA-N 2 1 234.318 2.140 20 0 BEADMP [NH3+][C@H](C[NH2+][C@@H]1CCCc2c(O)cccc21)C1CC1 ZINC000423315432 387154004 /nfs/dbraw/zinc/15/40/04/387154004.db2.gz IRNMWXMMVNIUNZ-ZIAGYGMSSA-N 2 1 246.354 2.097 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC2(CC2)C1 ZINC000187006242 387154278 /nfs/dbraw/zinc/15/42/78/387154278.db2.gz XNTXCLHTMKNITR-ZDUSSCGKSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC2(CC2)C1 ZINC000187006242 387154283 /nfs/dbraw/zinc/15/42/83/387154283.db2.gz XNTXCLHTMKNITR-ZDUSSCGKSA-N 2 1 222.376 2.347 20 0 BEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC2(CC2)C1 ZINC000187006242 387154287 /nfs/dbraw/zinc/15/42/87/387154287.db2.gz XNTXCLHTMKNITR-ZDUSSCGKSA-N 2 1 222.376 2.347 20 0 BEADMP C[C@H]1CC[C@H]([N@H+](C)CCCc2c[nH+]cn2C)C1 ZINC000571891784 387192865 /nfs/dbraw/zinc/19/28/65/387192865.db2.gz BFSQSCYPAYJQQR-STQMWFEESA-N 2 1 235.375 2.473 20 0 BEADMP C[C@H]1CC[C@H]([N@@H+](C)CCCc2c[nH+]cn2C)C1 ZINC000571891784 387192868 /nfs/dbraw/zinc/19/28/68/387192868.db2.gz BFSQSCYPAYJQQR-STQMWFEESA-N 2 1 235.375 2.473 20 0 BEADMP CCOc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423314447 387154525 /nfs/dbraw/zinc/15/45/25/387154525.db2.gz HHEYXHDDOAXAHW-ABAIWWIYSA-N 2 1 248.370 2.473 20 0 BEADMP [NH3+][C@H](C[NH2+][C@H]1CCc2ccccc21)C1CC1 ZINC000423316503 387157502 /nfs/dbraw/zinc/15/75/02/387157502.db2.gz JSSQSPODHAZMBM-KGLIPLIRSA-N 2 1 216.328 2.001 20 0 BEADMP Cc1ccccc1[C@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423321640 387164300 /nfs/dbraw/zinc/16/43/00/387164300.db2.gz NGLQUBYRIBYECH-FZMZJTMJSA-N 2 1 218.344 2.383 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000423324274 387167430 /nfs/dbraw/zinc/16/74/30/387167430.db2.gz KLLIEVMRAXJVLY-NFAWXSAZSA-N 2 1 248.370 2.091 20 0 BEADMP CCO[C@@H]1C[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000571745700 387167816 /nfs/dbraw/zinc/16/78/16/387167816.db2.gz WKIZNBPEFOJHLQ-CHWSQXEVSA-N 2 1 240.391 2.016 20 0 BEADMP [NH3+][C@@H](C[NH2+][C@@H]1CCCc2sccc21)C1CC1 ZINC000423323890 387168191 /nfs/dbraw/zinc/16/81/91/387168191.db2.gz PCQVBWSPVXPSSR-NWDGAFQWSA-N 2 1 236.384 2.452 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000423324324 387168290 /nfs/dbraw/zinc/16/82/90/387168290.db2.gz KOYQBQRMLSSAPL-GHMZBOCLSA-N 2 1 232.327 2.301 20 0 BEADMP CC[C@H]([NH2+][C@H](C)C[NH3+])c1cccc(C)c1 ZINC000423324440 387168674 /nfs/dbraw/zinc/16/86/74/387168674.db2.gz KXKIRIHFUHGTIT-YPMHNXCESA-N 2 1 206.333 2.383 20 0 BEADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cncs1 ZINC000423328840 387169773 /nfs/dbraw/zinc/16/97/73/387169773.db2.gz MFRLUZQWNASLHI-CMPLNLGQSA-N 2 1 239.388 2.183 20 0 BEADMP CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(OC)cc1 ZINC000423328751 387172300 /nfs/dbraw/zinc/17/23/00/387172300.db2.gz SGYKIXZUPDLTTR-GJZGRUSLSA-N 2 1 248.370 2.473 20 0 BEADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(F)cc1 ZINC000423328807 387173846 /nfs/dbraw/zinc/17/38/46/387173846.db2.gz SKVLEQHGTOPKBE-RNCFNFMXSA-N 2 1 222.307 2.214 20 0 BEADMP Cc1ccsc1[C@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423332462 387177610 /nfs/dbraw/zinc/17/76/10/387177610.db2.gz VFOXDHOCKMIGFM-ONGXEEELSA-N 2 1 224.373 2.444 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc2c(c1)COC2 ZINC000423331728 387177625 /nfs/dbraw/zinc/17/76/25/387177625.db2.gz UUADZNSIEMLYLW-MEBBXXQBSA-N 2 1 246.354 2.105 20 0 BEADMP CCC[C@H]([NH2+][C@H](C)C[NH3+])c1ccc(OC)cc1 ZINC000423331962 387179286 /nfs/dbraw/zinc/17/92/86/387179286.db2.gz QLQWLAJQXQUGOY-RISCZKNCSA-N 2 1 236.359 2.473 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000571842985 387180570 /nfs/dbraw/zinc/18/05/70/387180570.db2.gz YUXDJVKZWFCMJM-XJFOESAGSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000571842985 387180573 /nfs/dbraw/zinc/18/05/73/387180573.db2.gz YUXDJVKZWFCMJM-XJFOESAGSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000571842985 387180575 /nfs/dbraw/zinc/18/05/75/387180575.db2.gz YUXDJVKZWFCMJM-XJFOESAGSA-N 2 1 222.376 2.059 20 0 BEADMP Cc1cccc(C[C@@H]([NH2+][C@H](C)C[NH3+])C2CC2)c1 ZINC000423335443 387180779 /nfs/dbraw/zinc/18/07/79/387180779.db2.gz SZKPFHPQQXFPHG-IUODEOHRSA-N 2 1 232.371 2.253 20 0 BEADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1N(C)C ZINC000423336634 387182777 /nfs/dbraw/zinc/18/27/77/387182777.db2.gz UUMLBXIPCMVNPW-GFCCVEGCSA-N 2 1 247.386 2.285 20 0 BEADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccccn1 ZINC000423338055 387185438 /nfs/dbraw/zinc/18/54/38/387185438.db2.gz KMRAMTOZFVRBFS-GXTWGEPZSA-N 2 1 233.359 2.122 20 0 BEADMP COc1ccc([C@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423342522 387191747 /nfs/dbraw/zinc/19/17/47/387191747.db2.gz YWPSKXJSILCNOC-NSHDSACASA-N 2 1 234.343 2.227 20 0 BEADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(Cl)s1 ZINC000423301832 387135758 /nfs/dbraw/zinc/13/57/58/387135758.db2.gz IDNOKGCNCVSAFO-SSDOTTSWSA-N 2 1 230.764 2.272 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000423342934 387192219 /nfs/dbraw/zinc/19/22/19/387192219.db2.gz ZNQZXEBOOWLPFV-PRHODGIISA-N 2 1 224.735 2.264 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423355471 387205532 /nfs/dbraw/zinc/20/55/32/387205532.db2.gz FOPWZKDYRDKYOX-XVIXHAIJSA-N 2 1 224.392 2.399 20 0 BEADMP Cc1ccnc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000423356778 387207221 /nfs/dbraw/zinc/20/72/21/387207221.db2.gz KOFHTNICNPZLHO-QWHCGFSZSA-N 2 1 233.359 2.183 20 0 BEADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)C1CCCC1 ZINC000423356932 387207364 /nfs/dbraw/zinc/20/73/64/387207364.db2.gz HORFQNQLUJELDP-NQBHXWOUSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)C1CCCC1 ZINC000423356931 387208244 /nfs/dbraw/zinc/20/82/44/387208244.db2.gz HORFQNQLUJELDP-MDZLAQPJSA-N 2 1 210.365 2.153 20 0 BEADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)[C@@H]1C[C@H]1C ZINC000423357920 387210303 /nfs/dbraw/zinc/21/03/03/387210303.db2.gz IZDHCVOXWWEBEW-CKIKVBCHSA-N 2 1 210.365 2.009 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)[C@@H](C)C1 ZINC000423359844 387210696 /nfs/dbraw/zinc/21/06/96/387210696.db2.gz KZIHCXXDEFHQNC-PEBLQZBPSA-N 2 1 224.392 2.399 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000423359634 387211169 /nfs/dbraw/zinc/21/11/69/387211169.db2.gz DPBHUBKUJLRXTG-IUCAKERBSA-N 2 1 224.373 2.235 20 0 BEADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H](C)C[NH3+] ZINC000423361920 387212270 /nfs/dbraw/zinc/21/22/70/387212270.db2.gz HAYKVJULAOCKMS-HZMBPMFUSA-N 2 1 248.370 2.354 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1c2cccc(F)c2CC[C@H]1C ZINC000423363502 387215084 /nfs/dbraw/zinc/21/50/84/387215084.db2.gz JEZPHKHHPRKXEF-ISTVAULSSA-N 2 1 236.334 2.386 20 0 BEADMP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)nc1 ZINC000120258279 387216357 /nfs/dbraw/zinc/21/63/57/387216357.db2.gz ULDNHDIPLBMYKI-UHFFFAOYSA-N 2 1 247.386 2.164 20 0 BEADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)C1CCSCC1 ZINC000423371254 387222993 /nfs/dbraw/zinc/22/29/93/387222993.db2.gz UYOJQCGPMLOQKW-NTZNESFSSA-N 2 1 242.432 2.106 20 0 BEADMP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)C1CCSCC1 ZINC000423371250 387223382 /nfs/dbraw/zinc/22/33/82/387223382.db2.gz UYOJQCGPMLOQKW-MDZLAQPJSA-N 2 1 242.432 2.106 20 0 BEADMP CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H](C)C[NH3+] ZINC000423369774 387224810 /nfs/dbraw/zinc/22/48/10/387224810.db2.gz OOWQZUBVTBXAKC-JSGCOSHPSA-N 2 1 220.360 2.191 20 0 BEADMP CC[C@@H](Cc1cccs1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000643497021 387227141 /nfs/dbraw/zinc/22/71/41/387227141.db2.gz QEHSSZBGLYEXML-NWDGAFQWSA-N 2 1 238.400 2.411 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cccc(O)c1 ZINC000423398751 387234615 /nfs/dbraw/zinc/23/46/15/387234615.db2.gz VKOBLRYIUQSSFG-NQBHXWOUSA-N 2 1 234.343 2.183 20 0 BEADMP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+][C@@H](C)C[NH3+])C1 ZINC000423400256 387235289 /nfs/dbraw/zinc/23/52/89/387235289.db2.gz QCCZDNQLKOMPCN-MELADBBJSA-N 2 1 247.386 2.353 20 0 BEADMP C[C@@H](C[NH3+])[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000423405212 387239840 /nfs/dbraw/zinc/23/98/40/387239840.db2.gz SWZCQTNHALXBBV-FPMFFAJLSA-N 2 1 248.370 2.169 20 0 BEADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423418839 387248441 /nfs/dbraw/zinc/24/84/41/387248441.db2.gz AHVKRTXOQXLNTF-TZHJVIJJSA-N 2 1 242.366 2.351 20 0 BEADMP c1ccc2c(c1)SCC[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423421131 387250257 /nfs/dbraw/zinc/25/02/57/387250257.db2.gz CBKCKQBZFSESGH-CZXHOFHRSA-N 2 1 246.379 2.031 20 0 BEADMP Cc1ccnc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000423349306 387199119 /nfs/dbraw/zinc/19/91/19/387199119.db2.gz VMZKGHDMYHVRFA-HIFRSBDPSA-N 2 1 247.386 2.430 20 0 BEADMP Cc1cncc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000423376414 387257186 /nfs/dbraw/zinc/25/71/86/387257186.db2.gz JETFOXCDPUZKAO-DYEKYZERSA-N 2 1 233.359 2.181 20 0 BEADMP COc1ccc([C@H]([NH2+][C@@H](C)C[NH3+])C(C)C)cc1 ZINC000423380413 387263136 /nfs/dbraw/zinc/26/31/36/387263136.db2.gz YRSKUIBECDJYMX-SMDDNHRTSA-N 2 1 236.359 2.329 20 0 BEADMP CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1cccc(OC)c1 ZINC000423380321 387263394 /nfs/dbraw/zinc/26/33/94/387263394.db2.gz YHRUBJVDFQGHLA-GXFFZTMASA-N 2 1 222.332 2.083 20 0 BEADMP CC[C@H]([NH2+][C@@H](C)C[NH3+])c1cccc(C)c1 ZINC000423391353 387275611 /nfs/dbraw/zinc/27/56/11/387275611.db2.gz KXKIRIHFUHGTIT-AAEUAGOBSA-N 2 1 206.333 2.383 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc21 ZINC000423433753 387283167 /nfs/dbraw/zinc/28/31/67/387283167.db2.gz NLRSXAFEQLQIKF-DMHMKPBJSA-N 2 1 242.366 2.432 20 0 BEADMP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000423432466 387283536 /nfs/dbraw/zinc/28/35/36/387283536.db2.gz MJRHTVNBRARMFD-SPWCGHHHSA-N 2 1 230.355 2.172 20 0 BEADMP CC(C)[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1cccnc1 ZINC000423434600 387286397 /nfs/dbraw/zinc/28/63/97/387286397.db2.gz DATBLIPHCGFNHO-LOWVWBTDSA-N 2 1 221.348 2.104 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc21 ZINC000423433755 387286773 /nfs/dbraw/zinc/28/67/73/387286773.db2.gz NLRSXAFEQLQIKF-IRHMCKRBSA-N 2 1 242.366 2.432 20 0 BEADMP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423440077 387290099 /nfs/dbraw/zinc/29/00/99/387290099.db2.gz SWXLHMXVKUYLFX-RFQIPJPRSA-N 2 1 248.757 2.135 20 0 BEADMP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1C ZINC000423444726 387295470 /nfs/dbraw/zinc/29/54/70/387295470.db2.gz XDKXTRSNLFUQRH-ARLBYUKCSA-N 2 1 244.382 2.480 20 0 BEADMP Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1C ZINC000423444730 387295887 /nfs/dbraw/zinc/29/58/87/387295887.db2.gz XDKXTRSNLFUQRH-OJLVUWQFSA-N 2 1 244.382 2.480 20 0 BEADMP COc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])CCC2 ZINC000423449743 387299654 /nfs/dbraw/zinc/29/96/54/387299654.db2.gz RZDMGIMPLMBYFE-UEKVPHQBSA-N 2 1 248.370 2.398 20 0 BEADMP CCc1nc(C)c([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])s1 ZINC000423454701 387302157 /nfs/dbraw/zinc/30/21/57/387302157.db2.gz ZKVMYDMEVSYLOR-CIUDSAMLSA-N 2 1 241.404 2.400 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCc2sccc21 ZINC000423455426 387303085 /nfs/dbraw/zinc/30/30/85/387303085.db2.gz CLYZFUGEQSZQCY-KOLCDFICSA-N 2 1 224.373 2.452 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCc2ccccc21 ZINC000423456198 387303773 /nfs/dbraw/zinc/30/37/73/387303773.db2.gz DKMGQTHAUHBFPO-GXTWGEPZSA-N 2 1 218.344 2.391 20 0 BEADMP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@H](C)S1 ZINC000162060932 387309038 /nfs/dbraw/zinc/30/90/38/387309038.db2.gz VNOFLIJHDVSIMK-XQQFMLRXSA-N 2 1 242.432 2.297 20 0 BEADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@H](C)S1 ZINC000162060932 387309042 /nfs/dbraw/zinc/30/90/42/387309042.db2.gz VNOFLIJHDVSIMK-XQQFMLRXSA-N 2 1 242.432 2.297 20 0 BEADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@H](C)S1 ZINC000162060932 387309044 /nfs/dbraw/zinc/30/90/44/387309044.db2.gz VNOFLIJHDVSIMK-XQQFMLRXSA-N 2 1 242.432 2.297 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2ccccc21 ZINC000423481491 387363557 /nfs/dbraw/zinc/36/35/57/387363557.db2.gz WTESXJWQWRYWOF-YPMHNXCESA-N 2 1 204.317 2.001 20 0 BEADMP C([NH2+][C@@H]1CCC12CCC2)[C@@H]1CCCC[NH2+]1 ZINC000643502488 387365601 /nfs/dbraw/zinc/36/56/01/387365601.db2.gz HXQAVGKPQFAFNO-NWDGAFQWSA-N 2 1 208.349 2.051 20 0 BEADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000575512103 387382209 /nfs/dbraw/zinc/38/22/09/387382209.db2.gz KRKKJSZENUJHEB-OCCSQVGLSA-N 2 1 218.344 2.259 20 0 BEADMP CCC[C@H]([NH2+]C[C@@H]([NH3+])CC)c1cccnc1 ZINC000423476433 387323660 /nfs/dbraw/zinc/32/36/60/387323660.db2.gz SLMKHJAJAOUSFI-STQMWFEESA-N 2 1 221.348 2.250 20 0 BEADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000423477910 387324909 /nfs/dbraw/zinc/32/49/09/387324909.db2.gz UFWCDDLDWVQEJC-ZWNOBZJWSA-N 2 1 234.343 2.097 20 0 BEADMP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cs1 ZINC000423478307 387325341 /nfs/dbraw/zinc/32/53/41/387325341.db2.gz UKQGBLXULOZNEN-UTLUCORTSA-N 2 1 212.362 2.443 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC23CCC3)C1 ZINC000390434501 387326620 /nfs/dbraw/zinc/32/66/20/387326620.db2.gz RIBXNODXNWHORH-OLZOCXBDSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000423479958 387327541 /nfs/dbraw/zinc/32/75/41/387327541.db2.gz VSEXVUSBGSKFOY-COPLHBTASA-N 2 1 233.359 2.248 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)C1(C)CC1 ZINC000423479668 387327900 /nfs/dbraw/zinc/32/79/00/387327900.db2.gz OOGIVSWJHSYDGQ-UWVGGRQHSA-N 2 1 232.318 2.009 20 0 BEADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1C[C@H]1C ZINC000321951511 387329001 /nfs/dbraw/zinc/32/90/01/387329001.db2.gz WXPPKSGZQDMQBF-BNOWGMLFSA-N 2 1 222.376 2.273 20 0 BEADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000423484567 387332164 /nfs/dbraw/zinc/33/21/64/387332164.db2.gz YPCSRQUIAQIQGV-WFASDCNBSA-N 2 1 248.370 2.400 20 0 BEADMP CC[C@H]([NH2+]Cc1cc(C)cc(N)c1)[C@@H]1CCC[NH2+]1 ZINC000423489014 387333423 /nfs/dbraw/zinc/33/34/23/387333423.db2.gz ZXMMKCALNTUGPL-GJZGRUSLSA-N 2 1 247.386 2.197 20 0 BEADMP CC1(C)CC[C@H]1[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423497057 387338126 /nfs/dbraw/zinc/33/81/26/387338126.db2.gz FXKKISOCDBHCNU-NWDGAFQWSA-N 2 1 210.365 2.282 20 0 BEADMP C[NH+](C)[C@H]1CCC[N@@H+](C[Si](C)(C)C)CC1 ZINC000372988117 387340097 /nfs/dbraw/zinc/34/00/97/387340097.db2.gz BMFQYQCSAGHPSD-LBPRGKRZSA-N 2 1 228.456 2.280 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423502397 387343387 /nfs/dbraw/zinc/34/33/87/387343387.db2.gz LWAXFCXTLLHNRB-KGYLQXTDSA-N 2 1 210.365 2.282 20 0 BEADMP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000235480875 387344936 /nfs/dbraw/zinc/34/49/36/387344936.db2.gz SSLBKEWGKGTDQR-BXUZGUMPSA-N 2 1 236.334 2.098 20 0 BEADMP Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000643454109 387383499 /nfs/dbraw/zinc/38/34/99/387383499.db2.gz WCKDPCSAZNOWIT-CIUDSAMLSA-N 2 1 225.336 2.068 20 0 BEADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000423509716 387346033 /nfs/dbraw/zinc/34/60/33/387346033.db2.gz IXVXUNDYJTUATF-GJZGRUSLSA-N 2 1 248.370 2.106 20 0 BEADMP Cc1ccnc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000423516237 387351146 /nfs/dbraw/zinc/35/11/46/387351146.db2.gz WGIUOJWPTNCIFF-VNHYZAJKSA-N 2 1 247.386 2.368 20 0 BEADMP CSC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CCC1 ZINC000304004850 387427876 /nfs/dbraw/zinc/42/78/76/387427876.db2.gz SYEMWLFCOLLZIC-RYUDHWBXSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@H]([NH2+]CC[NH2+]C1CC1)C1C(C)(C)C1(C)C ZINC000643506785 387461946 /nfs/dbraw/zinc/46/19/46/387461946.db2.gz IKSROUZAMVTXTP-JTQLQIEISA-N 2 1 224.392 2.399 20 0 BEADMP CC[C@H](Cc1cccs1)[NH2+]CC[NH2+]C1CC1 ZINC000643506643 387462153 /nfs/dbraw/zinc/46/21/53/387462153.db2.gz DPAYUKZKGFBVII-LLVKDONJSA-N 2 1 238.400 2.411 20 0 BEADMP C[NH+]1CCC(Nc2cc3c(c[nH+]2)CCCC3)CC1 ZINC000336563386 387388931 /nfs/dbraw/zinc/38/89/31/387388931.db2.gz FAOLDAMCUXSNNX-UHFFFAOYSA-N 2 1 245.370 2.467 20 0 BEADMP Cc1occc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000321544758 387406024 /nfs/dbraw/zinc/40/60/24/387406024.db2.gz LEHILBWPEQSWRR-GFCCVEGCSA-N 2 1 222.332 2.019 20 0 BEADMP Cc1occc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000321544758 387406031 /nfs/dbraw/zinc/40/60/31/387406031.db2.gz LEHILBWPEQSWRR-GFCCVEGCSA-N 2 1 222.332 2.019 20 0 BEADMP Cc1ccc(CCC[N@H+](C)CC2(O)CCC2)cn1 ZINC000354685732 387416141 /nfs/dbraw/zinc/41/61/41/387416141.db2.gz ZTSUTRXEFWGGFF-UHFFFAOYSA-N 2 1 248.370 2.169 20 0 BEADMP CC[C@]1(C)CC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000399498854 387532827 /nfs/dbraw/zinc/53/28/27/387532827.db2.gz XDIIBABDEWAASW-HZSPNIEDSA-N 2 1 224.392 2.497 20 0 BEADMP CC[NH+]1CCC([NH2+]Cc2cnc(C)cc2C)CC1 ZINC000397029273 387533357 /nfs/dbraw/zinc/53/33/57/387533357.db2.gz PAQLFRHSHPECID-UHFFFAOYSA-N 2 1 247.386 2.272 20 0 BEADMP CC(C)CC[N@@H+]1C[C@@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000310295711 387537432 /nfs/dbraw/zinc/53/74/32/387537432.db2.gz LPKUXBIDYYCYJH-HUUCEWRRSA-N 2 1 232.371 2.459 20 0 BEADMP CC(C)CC[N@H+]1C[C@@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000310295711 387537439 /nfs/dbraw/zinc/53/74/39/387537439.db2.gz LPKUXBIDYYCYJH-HUUCEWRRSA-N 2 1 232.371 2.459 20 0 BEADMP c1ccc(C[C@H]([NH2+]CC[NH2+]C2CC2)C2CC2)cc1 ZINC000643506847 387464481 /nfs/dbraw/zinc/46/44/81/387464481.db2.gz KDGNHQXTMODXOK-INIZCTEOSA-N 2 1 244.382 2.349 20 0 BEADMP CC1(C)CCCC[C@@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507210 387474686 /nfs/dbraw/zinc/47/46/86/387474686.db2.gz VXRBKAHMSMKGAQ-LBPRGKRZSA-N 2 1 210.365 2.297 20 0 BEADMP C[C@@H](CC1CCCC1)[NH2+]CC[NH2+]C1CC1 ZINC000643507321 387476743 /nfs/dbraw/zinc/47/67/43/387476743.db2.gz ZBZRTQSGGSSQBJ-NSHDSACASA-N 2 1 210.365 2.297 20 0 BEADMP C[C@H](CCc1ccsc1)[NH2+]CC[NH2+]C1CC1 ZINC000643507811 387479902 /nfs/dbraw/zinc/47/99/02/387479902.db2.gz PXZYQXMWKHNSQL-LLVKDONJSA-N 2 1 238.400 2.411 20 0 BEADMP FC(F)C1CCC([NH2+]CC[NH2+]C2CC2)CC1 ZINC000643507782 387480072 /nfs/dbraw/zinc/48/00/72/387480072.db2.gz PHJMADFNBQFXSN-UHFFFAOYSA-N 2 1 232.318 2.152 20 0 BEADMP C(C[NH2+]C1CC1)[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000643508026 387481412 /nfs/dbraw/zinc/48/14/12/387481412.db2.gz APDHWDXPOBMHLW-CQSZACIVSA-N 2 1 222.376 2.297 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC[NH2+]C2CC2)C1 ZINC000643508064 387482495 /nfs/dbraw/zinc/48/24/95/387482495.db2.gz HSZLKGZOQBTDTP-MDZLAQPJSA-N 2 1 210.365 2.153 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]CC[NH2+]C2CC2)[C@H](C)C1 ZINC000643507993 387482669 /nfs/dbraw/zinc/48/26/69/387482669.db2.gz YKBIVRMQWWTXIM-WZRBSPASSA-N 2 1 210.365 2.153 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCCCF)C[C@H]21 ZINC000304454836 387483180 /nfs/dbraw/zinc/48/31/80/387483180.db2.gz YQCXOTJPHUITKO-YNEHKIRRSA-N 2 1 228.355 2.185 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CCN(CCC(F)(F)F)C1 ZINC000355881384 387590070 /nfs/dbraw/zinc/59/00/70/387590070.db2.gz PTTWUJSNQAPNAO-JTQLQIEISA-N 2 1 238.297 2.212 20 0 BEADMP CCCCOCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000355889004 387590859 /nfs/dbraw/zinc/59/08/59/387590859.db2.gz JONSMKIVIFZSGA-CQSZACIVSA-N 2 1 242.407 2.077 20 0 BEADMP CCCCOCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000355889004 387590861 /nfs/dbraw/zinc/59/08/61/387590861.db2.gz JONSMKIVIFZSGA-CQSZACIVSA-N 2 1 242.407 2.077 20 0 BEADMP CCCCOCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000355889004 387590863 /nfs/dbraw/zinc/59/08/63/387590863.db2.gz JONSMKIVIFZSGA-CQSZACIVSA-N 2 1 242.407 2.077 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c(C)n1 ZINC000643511833 387594857 /nfs/dbraw/zinc/59/48/57/387594857.db2.gz UOOCBNSGAMVXCO-RISCZKNCSA-N 2 1 235.375 2.332 20 0 BEADMP CC[C@H](Cc1cccs1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000643512627 387596358 /nfs/dbraw/zinc/59/63/58/387596358.db2.gz LPBQKMLYLAAVEL-YPMHNXCESA-N 2 1 238.400 2.396 20 0 BEADMP C[C@H](Cc1cccs1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000643512657 387596566 /nfs/dbraw/zinc/59/65/66/387596566.db2.gz OJUUYMWNCJPOHL-BXKDBHETSA-N 2 1 224.373 2.006 20 0 BEADMP C[C@@H](Cc1cccs1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000643512658 387597178 /nfs/dbraw/zinc/59/71/78/387597178.db2.gz OJUUYMWNCJPOHL-CABZTGNLSA-N 2 1 224.373 2.006 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])c(C)n1 ZINC000643513350 387597254 /nfs/dbraw/zinc/59/72/54/387597254.db2.gz ZVKUDYDMSBIXFU-JTQLQIEISA-N 2 1 221.348 2.086 20 0 BEADMP Cc1csc([C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000422707377 387621419 /nfs/dbraw/zinc/62/14/19/387621419.db2.gz WMVDOQIWHGKTQB-WEDXCCLWSA-N 2 1 227.377 2.228 20 0 BEADMP C[NH+](C)C1(C[NH2+]C2CCOCC2)CCCCC1 ZINC000036304139 387555263 /nfs/dbraw/zinc/55/52/63/387555263.db2.gz HUWWHGDPQOIGCI-UHFFFAOYSA-N 2 1 240.391 2.020 20 0 BEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccccc1N(C)C ZINC000430554171 387627553 /nfs/dbraw/zinc/62/75/53/387627553.db2.gz VDHLKGPJKGPMGG-OAHLLOKOSA-N 2 1 249.402 2.216 20 0 BEADMP CC[N@@H+](CCC[NH2+]C)Cc1ccccc1 ZINC000042409461 387627780 /nfs/dbraw/zinc/62/77/80/387627780.db2.gz OUQOZFQDCFCCAG-UHFFFAOYSA-N 2 1 206.333 2.118 20 0 BEADMP CCC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccccn1 ZINC000422723080 387633511 /nfs/dbraw/zinc/63/35/11/387633511.db2.gz ZNVJWVZOLNOOCU-AWEZNQCLSA-N 2 1 233.359 2.264 20 0 BEADMP C[C@H]1CC(CC[N@@H+]2CC[C@H]([NH3+])C2)C[C@H](C)C1 ZINC000430640447 387634834 /nfs/dbraw/zinc/63/48/34/387634834.db2.gz KFTFVBNZEUZAIF-BZPMIXESSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@H]1CC(CC[N@H+]2CC[C@H]([NH3+])C2)C[C@H](C)C1 ZINC000430640447 387634837 /nfs/dbraw/zinc/63/48/37/387634837.db2.gz KFTFVBNZEUZAIF-BZPMIXESSA-N 2 1 224.392 2.482 20 0 BEADMP CC(C)OCCC[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000430645218 387635073 /nfs/dbraw/zinc/63/50/73/387635073.db2.gz ZXQDHWKMEKRDTP-CHWSQXEVSA-N 2 1 228.380 2.003 20 0 BEADMP CC(C)OCCC[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000430645218 387635074 /nfs/dbraw/zinc/63/50/74/387635074.db2.gz ZXQDHWKMEKRDTP-CHWSQXEVSA-N 2 1 228.380 2.003 20 0 BEADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H]2CCC=CO2)CC1 ZINC000376475694 387638251 /nfs/dbraw/zinc/63/82/51/387638251.db2.gz BPNLQFIYHSROMQ-ZIAGYGMSSA-N 2 1 238.375 2.095 20 0 BEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527631719 387643248 /nfs/dbraw/zinc/64/32/48/387643248.db2.gz OCQDPNSRYAULSC-BPNCWPANSA-N 2 1 222.376 2.105 20 0 BEADMP Cc1c2ccccc2oc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422740939 387648021 /nfs/dbraw/zinc/64/80/21/387648021.db2.gz CQFXVRZBBOYCKK-NSHDSACASA-N 2 1 244.338 2.439 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000527639398 387648609 /nfs/dbraw/zinc/64/86/09/387648609.db2.gz CAKNMCPHBNGGHK-NEBZKDRISA-N 2 1 236.403 2.352 20 0 BEADMP C[C@H]([NH2+]CCc1ccccc1)c1c[nH+]ccc1N ZINC000422741380 387648993 /nfs/dbraw/zinc/64/89/93/387648993.db2.gz DJEUWHRECLLIAO-LBPRGKRZSA-N 2 1 241.338 2.387 20 0 BEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000422756215 387657873 /nfs/dbraw/zinc/65/78/73/387657873.db2.gz HLFAORZFNLTDBU-AVGNSLFASA-N 3 1 243.439 2.068 20 0 BEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000422756221 387658042 /nfs/dbraw/zinc/65/80/42/387658042.db2.gz HLFAORZFNLTDBU-RWMBFGLXSA-N 3 1 243.439 2.068 20 0 BEADMP CCc1ccc(CC[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000430953864 387663337 /nfs/dbraw/zinc/66/33/37/387663337.db2.gz DBSYYHOIQGLIPA-CJNGLKHVSA-N 2 1 246.398 2.461 20 0 BEADMP CC[C@@H](COC)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000125971118 387670576 /nfs/dbraw/zinc/67/05/76/387670576.db2.gz MIOZSOGTWIPLKV-KBPBESRZSA-N 2 1 242.407 2.121 20 0 BEADMP C1=CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000527742478 387686816 /nfs/dbraw/zinc/68/68/16/387686816.db2.gz BQNDOLTUBLAUGA-KBPBESRZSA-N 2 1 220.360 2.169 20 0 BEADMP C1=CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000527742482 387687473 /nfs/dbraw/zinc/68/74/73/387687473.db2.gz BQNDOLTUBLAUGA-UONOGXRCSA-N 2 1 220.360 2.169 20 0 BEADMP CCc1noc(CC)c1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422869653 387748586 /nfs/dbraw/zinc/74/85/86/387748586.db2.gz WOHWLPWXEXZXTF-UWVGGRQHSA-N 2 1 239.363 2.015 20 0 BEADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000643525762 387751698 /nfs/dbraw/zinc/75/16/98/387751698.db2.gz FBBSEPCXVSRNCL-BDAKNGLRSA-N 2 1 212.724 2.338 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCCS1)c1c[nH+]ccc1N ZINC000422874302 387752265 /nfs/dbraw/zinc/75/22/65/387752265.db2.gz NHTBYVDBEDVVBE-UWVGGRQHSA-N 2 1 237.372 2.040 20 0 BEADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](C)[NH3+] ZINC000643525725 387752402 /nfs/dbraw/zinc/75/24/02/387752402.db2.gz CRTFKENDBAAZKR-QMTHXVAHSA-N 2 1 234.343 2.009 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CC12CC2 ZINC000527846511 387752588 /nfs/dbraw/zinc/75/25/88/387752588.db2.gz FPKRAKOIHQRHSD-OUCADQQQSA-N 2 1 234.387 2.249 20 0 BEADMP CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000422878759 387754990 /nfs/dbraw/zinc/75/49/90/387754990.db2.gz KOBJREQDIAOQJS-UONOGXRCSA-N 2 1 234.343 2.055 20 0 BEADMP Cc1ccc2nc(C[NH2+][C@@H](C)CCC[NH3+])[nH]c2c1 ZINC000422808687 387709268 /nfs/dbraw/zinc/70/92/68/387709268.db2.gz LIMXSXQTWGXPPV-NSHDSACASA-N 2 1 246.358 2.088 20 0 BEADMP CCc1cc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc[nH+]1 ZINC000450417374 387711282 /nfs/dbraw/zinc/71/12/82/387711282.db2.gz JGOJAWVAXMYLPT-RYUDHWBXSA-N 2 1 233.359 2.173 20 0 BEADMP CC[C@@H]([NH2+]C[C@H](OC)C(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000422812436 387712195 /nfs/dbraw/zinc/71/21/95/387712195.db2.gz QIQVNLBTLAROEM-AGIUHOORSA-N 2 1 242.407 2.168 20 0 BEADMP C[NH+]1CCC([NH2+]CC[C@H]2CC=CCC2)CC1 ZINC000527788064 387714669 /nfs/dbraw/zinc/71/46/69/387714669.db2.gz IWSVAVSTRSOLCZ-ZDUSSCGKSA-N 2 1 222.376 2.417 20 0 BEADMP c1coc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000127807176 387725744 /nfs/dbraw/zinc/72/57/44/387725744.db2.gz OUOOAHJYDHTKBJ-CHWSQXEVSA-N 2 1 234.343 2.039 20 0 BEADMP c1cnc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522894 387725920 /nfs/dbraw/zinc/72/59/20/387725920.db2.gz UNSSHUCNJHEWRE-KGLIPLIRSA-N 2 1 245.370 2.191 20 0 BEADMP Cc1ncc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)s1 ZINC000643524910 387741053 /nfs/dbraw/zinc/74/10/53/387741053.db2.gz WOPIDDIKRMEFHB-QXEWZRGKSA-N 2 1 239.388 2.100 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccccc1 ZINC000128188839 387741071 /nfs/dbraw/zinc/74/10/71/387741071.db2.gz IFKNTQHOSCZARD-ZFWWWQNUSA-N 2 1 232.371 2.159 20 0 BEADMP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)s1 ZINC000643524909 387741522 /nfs/dbraw/zinc/74/15/22/387741522.db2.gz WOPIDDIKRMEFHB-ATZCPNFKSA-N 2 1 239.388 2.100 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000643527102 387763197 /nfs/dbraw/zinc/76/31/97/387763197.db2.gz DAPZOIULUCGSOY-GWCFXTLKSA-N 2 1 218.344 2.346 20 0 BEADMP CC(C)c1csc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])n1 ZINC000422891109 387764248 /nfs/dbraw/zinc/76/42/48/387764248.db2.gz JZISXJFOSSYZTC-NXEZZACHSA-N 2 1 241.404 2.482 20 0 BEADMP COc1cccc2c1CCC[C@H]2[NH2+]C[C@H](C)[NH3+] ZINC000643527195 387764313 /nfs/dbraw/zinc/76/43/13/387764313.db2.gz KLNMVCZOZAWROB-GXFFZTMASA-N 2 1 234.343 2.009 20 0 BEADMP Cc1cccc(C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C2CC2)c1 ZINC000422910182 387768383 /nfs/dbraw/zinc/76/83/83/387768383.db2.gz HMACWNRIMAOJLL-HZPDHXFCSA-N 2 1 244.382 2.268 20 0 BEADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)[NH3+])CCC2 ZINC000643528394 387770430 /nfs/dbraw/zinc/77/04/30/387770430.db2.gz IRJWJSKJTXKHFO-HZMBPMFUSA-N 2 1 234.343 2.009 20 0 BEADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)[NH3+])CCC2 ZINC000643528442 387770755 /nfs/dbraw/zinc/77/07/55/387770755.db2.gz JDHHEFQNDJWDFX-RISCZKNCSA-N 2 1 218.344 2.309 20 0 BEADMP C[C@H]([NH3+])C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000643528123 387775213 /nfs/dbraw/zinc/77/52/13/387775213.db2.gz ZURQWIBPBRONHM-ZANVPECISA-N 2 1 222.307 2.140 20 0 BEADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](C)[NH3+] ZINC000643528056 387775820 /nfs/dbraw/zinc/77/58/20/387775820.db2.gz YJLCFIKYFOZJNE-MDZLAQPJSA-N 2 1 218.344 2.480 20 0 BEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CC(C)C1 ZINC000422922233 387778509 /nfs/dbraw/zinc/77/85/09/387778509.db2.gz SGSSBYONSPPCBD-HTLISINNSA-N 2 1 232.371 2.333 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]CC2CC=CC2)[C@@H]2CCC[C@@H]21 ZINC000527944009 387781331 /nfs/dbraw/zinc/78/13/31/387781331.db2.gz BDROIXWANAGQGV-KKUMJFAQSA-N 2 1 234.387 2.415 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CC=CC2)[C@@H](C)C1 ZINC000527947905 387783764 /nfs/dbraw/zinc/78/37/64/387783764.db2.gz YPBHELZWLULDJB-GXTWGEPZSA-N 2 1 222.376 2.273 20 0 BEADMP CC(C)[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432419047 387788456 /nfs/dbraw/zinc/78/84/56/387788456.db2.gz YNWDYLQKTANEIR-KGLIPLIRSA-N 2 1 242.407 2.121 20 0 BEADMP CC(C)[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432419047 387788461 /nfs/dbraw/zinc/78/84/61/387788461.db2.gz YNWDYLQKTANEIR-KGLIPLIRSA-N 2 1 242.407 2.121 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC000422981030 387791805 /nfs/dbraw/zinc/79/18/05/387791805.db2.gz RXHRYCQCUGFETI-AMVTZNPPSA-N 2 1 216.328 2.169 20 0 BEADMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)Oc1ccccc1 ZINC000422980136 387792247 /nfs/dbraw/zinc/79/22/47/387792247.db2.gz KZIDMKTVSVYNAZ-KCQAQPDRSA-N 2 1 248.370 2.184 20 0 BEADMP C[C@H]([NH2+]Cc1coc2ccccc12)C1C[NH2+]C1 ZINC000422983840 387794539 /nfs/dbraw/zinc/79/45/39/387794539.db2.gz VINWFMGJWNOBKI-JTQLQIEISA-N 2 1 230.311 2.130 20 0 BEADMP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)OCC ZINC000527934692 387795780 /nfs/dbraw/zinc/79/57/80/387795780.db2.gz SZSVQYPRCSWBCR-BFHYXJOUSA-N 2 1 242.407 2.264 20 0 BEADMP C[C@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422952044 387806712 /nfs/dbraw/zinc/80/67/12/387806712.db2.gz BKXJXRBHMZLXST-FDYHWXHSSA-N 2 1 210.365 2.153 20 0 BEADMP CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000527999757 387807831 /nfs/dbraw/zinc/80/78/31/387807831.db2.gz PNJQENJOMPWFCQ-SYQHCUMBSA-N 2 1 240.391 2.015 20 0 BEADMP CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000527999757 387807837 /nfs/dbraw/zinc/80/78/37/387807837.db2.gz PNJQENJOMPWFCQ-SYQHCUMBSA-N 2 1 240.391 2.015 20 0 BEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCC1 ZINC000422954235 387809880 /nfs/dbraw/zinc/80/98/80/387809880.db2.gz HKQXHESKKIICEW-SMDDNHRTSA-N 2 1 218.344 2.087 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCC[C@@H]1C ZINC000151457782 387843714 /nfs/dbraw/zinc/84/37/14/387843714.db2.gz KCBPYTBPDAFZAE-XQQFMLRXSA-N 2 1 212.381 2.495 20 0 BEADMP COc1ccc(F)cc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423066130 387869094 /nfs/dbraw/zinc/86/90/94/387869094.db2.gz WBGKIRIBMKDFLY-ZJUUUORDSA-N 2 1 240.322 2.050 20 0 BEADMP C[C@H]([NH3+])C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000442662648 387816752 /nfs/dbraw/zinc/81/67/52/387816752.db2.gz FQZOXKWZPJUGBW-GMXVVIOVSA-N 2 1 236.334 2.351 20 0 BEADMP C[C@H]([NH3+])C[N@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000442662648 387816757 /nfs/dbraw/zinc/81/67/57/387816757.db2.gz FQZOXKWZPJUGBW-GMXVVIOVSA-N 2 1 236.334 2.351 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194536137 387891116 /nfs/dbraw/zinc/89/11/16/387891116.db2.gz KRVZXGLBXOSOMF-TUVASFSCSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194536137 387891122 /nfs/dbraw/zinc/89/11/22/387891122.db2.gz KRVZXGLBXOSOMF-TUVASFSCSA-N 2 1 236.403 2.306 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000194536137 387891127 /nfs/dbraw/zinc/89/11/27/387891127.db2.gz KRVZXGLBXOSOMF-TUVASFSCSA-N 2 1 236.403 2.306 20 0 BEADMP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)c2ccccc21 ZINC000423107620 387891869 /nfs/dbraw/zinc/89/18/69/387891869.db2.gz LDQOBMSMPPUVKY-FIQHERPVSA-N 2 1 238.281 2.374 20 0 BEADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423106364 387892211 /nfs/dbraw/zinc/89/22/11/387892211.db2.gz RKURBELBHZPQBD-FDYHWXHSSA-N 2 1 210.365 2.010 20 0 BEADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000423089070 387880664 /nfs/dbraw/zinc/88/06/64/387880664.db2.gz RNUHYBCHOUAMFT-RRFJBIMHSA-N 2 1 248.370 2.234 20 0 BEADMP CCO[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000423089068 387881713 /nfs/dbraw/zinc/88/17/13/387881713.db2.gz RNUHYBCHOUAMFT-QLFBSQMISA-N 2 1 248.370 2.234 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])c(C)n1 ZINC000643539852 387881704 /nfs/dbraw/zinc/88/17/04/387881704.db2.gz DPVOLNCOJYZGBL-SCVCMEIPSA-N 2 1 221.348 2.085 20 0 BEADMP C[C@H]([NH2+]CC1(C(F)(F)F)CC1)[C@@H]1CCC[NH2+]1 ZINC000423116045 387898653 /nfs/dbraw/zinc/89/86/53/387898653.db2.gz ZIVPPHMHOJSBNL-IUCAKERBSA-N 2 1 236.281 2.059 20 0 BEADMP C[C@@H]([NH2+]CC1CC(F)(F)C1)c1c[nH+]ccc1N ZINC000423123501 387903302 /nfs/dbraw/zinc/90/33/02/387903302.db2.gz DZXBWVDHLWSUQM-MRVPVSSYSA-N 2 1 241.285 2.190 20 0 BEADMP COCC(C)(C)CCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423133093 387909866 /nfs/dbraw/zinc/90/98/66/387909866.db2.gz VIGPLBVWFFEPBP-OLZOCXBDSA-N 2 1 242.407 2.027 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000423138038 387915716 /nfs/dbraw/zinc/91/57/16/387915716.db2.gz RUMXLBMWUSBFSW-DGCLKSJQSA-N 2 1 224.392 2.400 20 0 BEADMP C=Cc1ccc(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000423139525 387915996 /nfs/dbraw/zinc/91/59/96/387915996.db2.gz LAQHEVZJPRNSPZ-XJKSGUPXSA-N 2 1 244.382 2.460 20 0 BEADMP CCc1nc(N[C@H]2CC[C@H]([NH3+])CC2)cc(C)[nH+]1 ZINC000321865169 387916189 /nfs/dbraw/zinc/91/61/89/387916189.db2.gz GKZMTTOEGNRLPL-XYPYZODXSA-N 2 1 234.347 2.029 20 0 BEADMP CCCc1nc(C)c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])o1 ZINC000423138542 387916634 /nfs/dbraw/zinc/91/66/34/387916634.db2.gz XVWTYCXIGLYZBD-ZJUUUORDSA-N 2 1 239.363 2.151 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCC(C)(F)F ZINC000423150805 387930423 /nfs/dbraw/zinc/93/04/23/387930423.db2.gz ZFWJNPWJKNPYEQ-VHSXEESVSA-N 2 1 220.307 2.009 20 0 BEADMP C[C@H]1C[C@H]([NH2+]CCOC2CCCC2)CC[N@H+]1C ZINC000156146970 387925914 /nfs/dbraw/zinc/92/59/14/387925914.db2.gz RUICNPXDCJYEDF-QWHCGFSZSA-N 2 1 240.391 2.018 20 0 BEADMP C[C@H]([NH2+]CC(C)(C)c1ccccn1)[C@@H]1CCC[NH2+]1 ZINC000423149812 387927778 /nfs/dbraw/zinc/92/77/78/387927778.db2.gz XWLOODVMQOBQLT-STQMWFEESA-N 2 1 247.386 2.089 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000423150059 387928195 /nfs/dbraw/zinc/92/81/95/387928195.db2.gz YOKGPIHKTNRGQV-UTUOFQBUSA-N 2 1 246.345 2.400 20 0 BEADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC000044535277 387938559 /nfs/dbraw/zinc/93/85/59/387938559.db2.gz SGEVKUMOJBZSJO-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423161881 387942974 /nfs/dbraw/zinc/94/29/74/387942974.db2.gz JWFXHAZBWPOBPU-XJFOESAGSA-N 2 1 240.391 2.064 20 0 BEADMP CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423161877 387944500 /nfs/dbraw/zinc/94/45/00/387944500.db2.gz JWFXHAZBWPOBPU-IGQOVBAYSA-N 2 1 240.391 2.064 20 0 BEADMP C[C@H](CC(C)(C)C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423166160 387950066 /nfs/dbraw/zinc/95/00/66/387950066.db2.gz QSHZZWLEYUCRRX-QJPTWQEYSA-N 2 1 212.381 2.399 20 0 BEADMP CSC[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245574844 387961134 /nfs/dbraw/zinc/96/11/34/387961134.db2.gz ARGGKVNYOWZTOQ-OLZOCXBDSA-N 2 1 242.432 2.298 20 0 BEADMP CSC[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245574844 387961135 /nfs/dbraw/zinc/96/11/35/387961135.db2.gz ARGGKVNYOWZTOQ-OLZOCXBDSA-N 2 1 242.432 2.298 20 0 BEADMP CSC[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245574844 387961138 /nfs/dbraw/zinc/96/11/38/387961138.db2.gz ARGGKVNYOWZTOQ-OLZOCXBDSA-N 2 1 242.432 2.298 20 0 BEADMP CC1(c2ccccc2)CCC([NH2+]CC[NH3+])CC1 ZINC000423177039 387961874 /nfs/dbraw/zinc/96/18/74/387961874.db2.gz DODHLVYNLVGLRY-UHFFFAOYSA-N 2 1 232.371 2.435 20 0 BEADMP CC[C@@H](C)C[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245589792 387963709 /nfs/dbraw/zinc/96/37/09/387963709.db2.gz FYJRRRQXCOKMFO-CHWSQXEVSA-N 2 1 212.381 2.449 20 0 BEADMP CC[C@@H](C)C[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000245589792 387963713 /nfs/dbraw/zinc/96/37/13/387963713.db2.gz FYJRRRQXCOKMFO-CHWSQXEVSA-N 2 1 212.381 2.449 20 0 BEADMP CC[C@@H](C)C[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000245589792 387963717 /nfs/dbraw/zinc/96/37/17/387963717.db2.gz FYJRRRQXCOKMFO-CHWSQXEVSA-N 2 1 212.381 2.449 20 0 BEADMP [NH3+]CCC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000423182269 387968157 /nfs/dbraw/zinc/96/81/57/387968157.db2.gz GRFIWPFZVKVDQN-VIFPVBQESA-N 2 1 244.260 2.030 20 0 BEADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)[C@@H]1C[C@H]1C ZINC000423182844 387968227 /nfs/dbraw/zinc/96/82/27/387968227.db2.gz FSXTYXNHVXYYQY-VNHYZAJKSA-N 2 1 247.386 2.195 20 0 BEADMP [NH3+]CCC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000423182268 387968516 /nfs/dbraw/zinc/96/85/16/387968516.db2.gz GRFIWPFZVKVDQN-SECBINFHSA-N 2 1 244.260 2.030 20 0 BEADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423186048 387969418 /nfs/dbraw/zinc/96/94/18/387969418.db2.gz JWCQKRMKPLXLAF-WOPDTQHZSA-N 2 1 210.365 2.153 20 0 BEADMP CC1(C)CC[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423183754 387969434 /nfs/dbraw/zinc/96/94/34/387969434.db2.gz GWGRHXSXFNWTQB-CQSZACIVSA-N 2 1 247.386 2.340 20 0 BEADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccncc1 ZINC000423185773 387969499 /nfs/dbraw/zinc/96/94/99/387969499.db2.gz WGIGHBWLKFERBG-GFCCVEGCSA-N 2 1 233.359 2.394 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424323266 387971103 /nfs/dbraw/zinc/97/11/03/387971103.db2.gz IWWDOTPNRVVLFK-VZZFWQQMSA-N 2 1 222.376 2.105 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424323266 387971107 /nfs/dbraw/zinc/97/11/07/387971107.db2.gz IWWDOTPNRVVLFK-VZZFWQQMSA-N 2 1 222.376 2.105 20 0 BEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccn2C)[C@@H](C)C1 ZINC000245748987 387980932 /nfs/dbraw/zinc/98/09/32/387980932.db2.gz NLSGIZXCDASZHO-DZGCQCFKSA-N 2 1 249.402 2.187 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccn2C)[C@@H](C)C1 ZINC000245748987 387980936 /nfs/dbraw/zinc/98/09/36/387980936.db2.gz NLSGIZXCDASZHO-DZGCQCFKSA-N 2 1 249.402 2.187 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccn2C)[C@@H](C)C1 ZINC000245748987 387980940 /nfs/dbraw/zinc/98/09/40/387980940.db2.gz NLSGIZXCDASZHO-DZGCQCFKSA-N 2 1 249.402 2.187 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccn2C)[C@@H](C)C1 ZINC000245748987 387980944 /nfs/dbraw/zinc/98/09/44/387980944.db2.gz NLSGIZXCDASZHO-DZGCQCFKSA-N 2 1 249.402 2.187 20 0 BEADMP CC(C)Cc1cccc([C@@H](C)[NH2+]CC[NH3+])c1 ZINC000423188270 387973433 /nfs/dbraw/zinc/97/34/33/387973433.db2.gz PYAFEISIUMHWFK-GFCCVEGCSA-N 2 1 220.360 2.494 20 0 BEADMP C1CC1[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000423189064 387974211 /nfs/dbraw/zinc/97/42/11/387974211.db2.gz OTSFXEFDGQFNOD-KBPBESRZSA-N 2 1 222.376 2.297 20 0 BEADMP c1ccc(C[C@H]([NH2+][C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423191273 387975468 /nfs/dbraw/zinc/97/54/68/387975468.db2.gz OWLBUENDFMWBPH-HOTGVXAUSA-N 2 1 244.382 2.349 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000423190028 387975556 /nfs/dbraw/zinc/97/55/56/387975556.db2.gz NFDWZBKHGGITSA-MROQNXINSA-N 2 1 210.365 2.153 20 0 BEADMP Cc1ccc([C@H]2CCC[C@H]2[NH2+]CC[NH3+])cc1 ZINC000423191509 387975870 /nfs/dbraw/zinc/97/58/70/387975870.db2.gz UIPFTRDQYXDTEW-ZIAGYGMSSA-N 2 1 218.344 2.179 20 0 BEADMP CC(C)[C@@H]1C[C@@H]([NH2+]CC[NH3+])c2ccccc21 ZINC000423190915 387976393 /nfs/dbraw/zinc/97/63/93/387976393.db2.gz SXPPEIUKUWTQCB-UONOGXRCSA-N 2 1 218.344 2.419 20 0 BEADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000423190031 387976399 /nfs/dbraw/zinc/97/63/99/387976399.db2.gz NFDWZBKHGGITSA-YVECIDJPSA-N 2 1 210.365 2.153 20 0 BEADMP C[NH2+]CCC[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000423204073 387989362 /nfs/dbraw/zinc/98/93/62/387989362.db2.gz UGWKXDQCUQBRAG-SNVBAGLBSA-N 2 1 210.321 2.157 20 0 BEADMP C[NH2+]CCC[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000423202535 387990088 /nfs/dbraw/zinc/99/00/88/387990088.db2.gz QXDUPLYALONGJX-SNVBAGLBSA-N 2 1 240.322 2.094 20 0 BEADMP C[NH2+]CCC[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000423204072 387990225 /nfs/dbraw/zinc/99/02/25/387990225.db2.gz UGWKXDQCUQBRAG-JTQLQIEISA-N 2 1 210.321 2.157 20 0 BEADMP Cc1ccnc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000423206817 387990854 /nfs/dbraw/zinc/99/08/54/387990854.db2.gz CDADKPFXQNFRII-HZSPNIEDSA-N 2 1 247.386 2.429 20 0 BEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1C[C@@]1(F)c1ccccc1 ZINC000424368680 387992434 /nfs/dbraw/zinc/99/24/34/387992434.db2.gz ADVVETXCWOLNAN-AUZPSNTRSA-N 2 1 236.334 2.339 20 0 BEADMP CCC(CC)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250785081 135058774 /nfs/dbraw/zinc/05/87/74/135058774.db2.gz VUYFQPMJLFLXLU-AAEUAGOBSA-N 2 1 212.381 2.482 20 0 BEADMP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)o1 ZINC000423214273 387998497 /nfs/dbraw/zinc/99/84/97/387998497.db2.gz ONUOKAWJENTOTP-RYUDHWBXSA-N 2 1 236.359 2.492 20 0 BEADMP [NH3+]CC[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000420400522 387998583 /nfs/dbraw/zinc/99/85/83/387998583.db2.gz IOQVCYWKGHPGQI-AWEZNQCLSA-N 2 1 218.344 2.466 20 0 BEADMP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156564158 387998609 /nfs/dbraw/zinc/99/86/09/387998609.db2.gz PAWOYKSXATUMDQ-XQQFMLRXSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156564158 387998612 /nfs/dbraw/zinc/99/86/12/387998612.db2.gz PAWOYKSXATUMDQ-XQQFMLRXSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000156564032 387998976 /nfs/dbraw/zinc/99/89/76/387998976.db2.gz PAWOYKSXATUMDQ-RWMBFGLXSA-N 2 1 212.381 2.493 20 0 BEADMP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156564032 387998977 /nfs/dbraw/zinc/99/89/77/387998977.db2.gz PAWOYKSXATUMDQ-RWMBFGLXSA-N 2 1 212.381 2.493 20 0 BEADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000423222232 388001126 /nfs/dbraw/zinc/00/11/26/388001126.db2.gz AHTUQAJVLLIHFU-IUCAKERBSA-N 2 1 228.286 2.353 20 0 BEADMP C[NH2+]CC[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000423223422 388005982 /nfs/dbraw/zinc/00/59/82/388005982.db2.gz GLEJWRVDBWFKLW-HNNXBMFYSA-N 2 1 232.371 2.125 20 0 BEADMP C[NH2+]CC[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000423226364 388009222 /nfs/dbraw/zinc/00/92/22/388009222.db2.gz QLJUFVLLRACDTR-CQSZACIVSA-N 2 1 238.350 2.202 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C2CC(C)(F)C2)[C@@H]2CCC[C@H]21 ZINC000453244814 388023694 /nfs/dbraw/zinc/02/36/94/388023694.db2.gz ZFZJWGIQBMLSQY-VWGAPNJBSA-N 2 1 240.366 2.339 20 0 BEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2CC2)C1 ZINC000156630543 388013029 /nfs/dbraw/zinc/01/30/29/388013029.db2.gz WDLWPLOVQWTOFC-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC2CC2)C1 ZINC000156630543 388013033 /nfs/dbraw/zinc/01/30/33/388013033.db2.gz WDLWPLOVQWTOFC-CYBMUJFWSA-N 2 1 210.365 2.060 20 0 BEADMP CC1(C)CCC[C@@H]([NH2+][C@H](C[NH3+])C2CC2)C1 ZINC000423269870 388016841 /nfs/dbraw/zinc/01/68/41/388016841.db2.gz FZYNJONQJSSDCI-VXGBXAGGSA-N 2 1 210.365 2.282 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000423234166 388018900 /nfs/dbraw/zinc/01/89/00/388018900.db2.gz LEIBLOQNITXRID-VXGBXAGGSA-N 2 1 216.344 2.104 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1CC ZINC000423234887 388019165 /nfs/dbraw/zinc/01/91/65/388019165.db2.gz MMEHYDNGAZFZOG-RWMBFGLXSA-N 2 1 212.381 2.400 20 0 BEADMP C[NH2+]CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000423235445 388019549 /nfs/dbraw/zinc/01/95/49/388019549.db2.gz AZHRNDYUHOCEAL-ZIAGYGMSSA-N 2 1 218.344 2.132 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C ZINC000423236572 388020548 /nfs/dbraw/zinc/02/05/48/388020548.db2.gz OGVRIXJFZAWJEZ-JHJVBQTASA-N 2 1 212.381 2.400 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000423238611 388022813 /nfs/dbraw/zinc/02/28/13/388022813.db2.gz RGHPTWCBIGVINQ-SNPRPXQTSA-N 2 1 232.371 2.378 20 0 BEADMP CCCC[C@H](C)[C@@H](C)[NH2+]CC[NH2+]CC ZINC000423239010 388022899 /nfs/dbraw/zinc/02/28/99/388022899.db2.gz RNFVROBRYKPQRF-NWDGAFQWSA-N 2 1 200.370 2.400 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000423253476 388035293 /nfs/dbraw/zinc/03/52/93/388035293.db2.gz ZDWVYSZYDMBKQR-QWHCGFSZSA-N 2 1 212.381 2.400 20 0 BEADMP Cc1ccc(C[NH2+]CCC[NH+](C)C)cc1F ZINC000082503282 388035808 /nfs/dbraw/zinc/03/58/08/388035808.db2.gz MZEXAYZENUNEAC-UHFFFAOYSA-N 2 1 224.323 2.175 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)C1CC1 ZINC000453292788 388037126 /nfs/dbraw/zinc/03/71/26/388037126.db2.gz PEBXKBQERWLNBE-CABNGKKXSA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000453292789 388037529 /nfs/dbraw/zinc/03/75/29/388037529.db2.gz PEBXKBQERWLNBE-FMKGYKFTSA-N 2 1 222.376 2.247 20 0 BEADMP COC[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)C(C)C ZINC000423258140 388037901 /nfs/dbraw/zinc/03/79/01/388037901.db2.gz BDAKDAMZIUQBQR-ZIAGYGMSSA-N 2 1 242.407 2.155 20 0 BEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CCC12CCC2 ZINC000423257884 388038813 /nfs/dbraw/zinc/03/88/13/388038813.db2.gz ANAOBHKJWWCISB-RYUDHWBXSA-N 2 1 210.365 2.282 20 0 BEADMP C[C@H](CCCC[NH3+])[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423262187 388039979 /nfs/dbraw/zinc/03/99/79/388039979.db2.gz LYEAELALORBXBM-OCCSQVGLSA-N 3 1 241.423 2.001 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(F)c1 ZINC000423263167 388040112 /nfs/dbraw/zinc/04/01/12/388040112.db2.gz NZMISQMSSULPEC-ZWNOBZJWSA-N 2 1 224.323 2.460 20 0 BEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000423263164 388040700 /nfs/dbraw/zinc/04/07/00/388040700.db2.gz NZMISQMSSULPEC-GWCFXTLKSA-N 2 1 224.323 2.460 20 0 BEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)Cc1ccoc1 ZINC000423264314 388042505 /nfs/dbraw/zinc/04/25/05/388042505.db2.gz PVWPOIKFBPPPGZ-DGCLKSJQSA-N 2 1 224.348 2.174 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CCCCC2)[C@H](C)O1 ZINC000423263471 388042649 /nfs/dbraw/zinc/04/26/49/388042649.db2.gz OKSVSCOODVWDDW-UVLXDEKHSA-N 2 1 240.391 2.050 20 0 BEADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc2c(c1)COC2 ZINC000423265889 388043334 /nfs/dbraw/zinc/04/33/34/388043334.db2.gz BHIBIMSRXBJOTQ-BMIGLBTASA-N 2 1 246.354 2.105 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H]1C[C@@H](OCC)C1(CC)CC ZINC000423246208 388029734 /nfs/dbraw/zinc/02/97/34/388029734.db2.gz MZVQWZONABTOAW-CHWSQXEVSA-N 2 1 242.407 2.169 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)s1 ZINC000423271993 388051959 /nfs/dbraw/zinc/05/19/59/388051959.db2.gz HTNKCFALGKBOMX-KOLCDFICSA-N 2 1 224.373 2.444 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])C2CCCCC2)CCO1 ZINC000423273140 388053900 /nfs/dbraw/zinc/05/39/00/388053900.db2.gz ZXYXPIOVXDBXOJ-KWCYVHTRSA-N 2 1 240.391 2.051 20 0 BEADMP [NH3+]C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)C1CC1 ZINC000423275022 388055440 /nfs/dbraw/zinc/05/54/40/388055440.db2.gz LHZLZFGBYWVDSD-KGLIPLIRSA-N 2 1 234.318 2.140 20 0 BEADMP [NH3+]C[C@@H]([NH2+]C1CCC2(CC2)CC1)C1CC1 ZINC000423275585 388056666 /nfs/dbraw/zinc/05/66/66/388056666.db2.gz LUZBIKMDHDRWFU-GFCCVEGCSA-N 2 1 208.349 2.036 20 0 BEADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423277167 388058506 /nfs/dbraw/zinc/05/85/06/388058506.db2.gz NTRSXWLDHHKXSZ-JLLWLGSASA-N 2 1 210.365 2.138 20 0 BEADMP COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423277446 388058927 /nfs/dbraw/zinc/05/89/27/388058927.db2.gz PPSBXRKOBQRMKY-KGLIPLIRSA-N 2 1 248.370 2.255 20 0 BEADMP [NH3+]C[C@H]([NH2+]Cc1ccccc1)C1CCCC1 ZINC000083764282 388060533 /nfs/dbraw/zinc/06/05/33/388060533.db2.gz MNBLFHGZFYBERA-AWEZNQCLSA-N 2 1 218.344 2.294 20 0 BEADMP COc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423279611 388062317 /nfs/dbraw/zinc/06/23/17/388062317.db2.gz RQUDMGOTUQIVRV-HZMBPMFUSA-N 2 1 234.343 2.083 20 0 BEADMP Cc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])no1 ZINC000423282553 388066178 /nfs/dbraw/zinc/06/61/78/388066178.db2.gz VLHMQNUIXOYZMY-SDDRHHMPSA-N 2 1 237.347 2.151 20 0 BEADMP Cc1ccncc1[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423284478 388066760 /nfs/dbraw/zinc/06/67/60/388066760.db2.gz YBKVWTFQOWNXBZ-DGCLKSJQSA-N 2 1 221.348 2.024 20 0 BEADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(OC)c1 ZINC000423284554 388067170 /nfs/dbraw/zinc/06/71/70/388067170.db2.gz WWHHICJMZFGKEQ-HUUCEWRRSA-N 2 1 248.370 2.473 20 0 BEADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423287215 388071634 /nfs/dbraw/zinc/07/16/34/388071634.db2.gz KWWZPXVZVLKNQS-YPMHNXCESA-N 2 1 236.359 2.090 20 0 BEADMP CC(C)[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453398180 388072471 /nfs/dbraw/zinc/07/24/71/388072471.db2.gz KHXIKXVRSQEMIZ-LBPRGKRZSA-N 2 1 212.381 2.495 20 0 BEADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccncc1 ZINC000423288559 388073123 /nfs/dbraw/zinc/07/31/23/388073123.db2.gz SVFRBPRSBJMJRZ-LLVKDONJSA-N 2 1 221.348 2.250 20 0 BEADMP COc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)[NH3+])CCC2 ZINC000423290209 388074343 /nfs/dbraw/zinc/07/43/43/388074343.db2.gz ZOYZEUGWVVTTIB-AWEZNQCLSA-N 2 1 248.370 2.400 20 0 BEADMP Cc1nc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cs1 ZINC000084216402 388074919 /nfs/dbraw/zinc/07/49/19/388074919.db2.gz VYDAEJCUXYCEQJ-ZYHUDNBSSA-N 2 1 239.388 2.059 20 0 BEADMP CC(=O)Nc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423289578 388075073 /nfs/dbraw/zinc/07/50/73/388075073.db2.gz XTMQYWYBEOAMOQ-JTQLQIEISA-N 2 1 249.358 2.033 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1nccs1 ZINC000084217013 388075098 /nfs/dbraw/zinc/07/50/98/388075098.db2.gz SMFZTULDWITULI-HBNTYKKESA-N 2 1 239.388 2.311 20 0 BEADMP C[N@@H+](CCCC[NH2+]C1CCCC1)C1CC1 ZINC000453406412 388075251 /nfs/dbraw/zinc/07/52/51/388075251.db2.gz CVUUYXFHSCJTMG-UHFFFAOYSA-N 2 1 210.365 2.393 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC12CCC2 ZINC000423294257 388075530 /nfs/dbraw/zinc/07/55/30/388075530.db2.gz BOSQZJVHTZNLCU-NEPJUHHUSA-N 2 1 210.365 2.426 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccncc1 ZINC000423297045 388078621 /nfs/dbraw/zinc/07/86/21/388078621.db2.gz INGAPISPLBXHLZ-DGCLKSJQSA-N 2 1 221.348 2.250 20 0 BEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@H](OCC)C1(C)C ZINC000423298188 388079826 /nfs/dbraw/zinc/07/98/26/388079826.db2.gz NMELIBVFCIZXQT-UPJWGTAASA-N 2 1 242.407 2.297 20 0 BEADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000453427416 388081631 /nfs/dbraw/zinc/08/16/31/388081631.db2.gz ZOYWZOWNCJMZCE-AAVRWANBSA-N 2 1 240.391 2.016 20 0 BEADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000453427416 388081634 /nfs/dbraw/zinc/08/16/34/388081634.db2.gz ZOYWZOWNCJMZCE-AAVRWANBSA-N 2 1 240.391 2.016 20 0 BEADMP CC[C@]1(C(C)C)C[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000453469185 388084166 /nfs/dbraw/zinc/08/41/66/388084166.db2.gz ZXDNVAGXDOAQBW-ZIAGYGMSSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](C)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000453581264 388086167 /nfs/dbraw/zinc/08/61/67/388086167.db2.gz LEDXHPVATZDKAP-JTQLQIEISA-N 2 1 207.321 2.036 20 0 BEADMP CC(C)[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)C1CC1 ZINC000324266134 388115780 /nfs/dbraw/zinc/11/57/80/388115780.db2.gz MPIYNNKVIKPTTH-OLZOCXBDSA-N 2 1 210.365 2.153 20 0 BEADMP C[N@H+](CC[NH2+][C@@H]1CCCOCC1)C1CCCC1 ZINC000086874638 388110498 /nfs/dbraw/zinc/11/04/98/388110498.db2.gz TXHJUEKFGXXZLB-CYBMUJFWSA-N 2 1 240.391 2.020 20 0 BEADMP C[N@@H+](CC[NH2+][C@@H]1CCCOCC1)C1CCCC1 ZINC000086874638 388110500 /nfs/dbraw/zinc/11/05/00/388110500.db2.gz TXHJUEKFGXXZLB-CYBMUJFWSA-N 2 1 240.391 2.020 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC1(C)C ZINC000086874670 388110549 /nfs/dbraw/zinc/11/05/49/388110549.db2.gz YADGPPIVFATAKF-LBPRGKRZSA-N 2 1 221.348 2.360 20 0 BEADMP Cc1cncc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000423268116 388047254 /nfs/dbraw/zinc/04/72/54/388047254.db2.gz FZKZQIHOSHXYAN-WCQYABFASA-N 2 1 221.348 2.024 20 0 BEADMP Cc1cccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000423268513 388047937 /nfs/dbraw/zinc/04/79/37/388047937.db2.gz DWPMCYKNCBRCCZ-SMDDNHRTSA-N 2 1 218.344 2.383 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000160134487 388048046 /nfs/dbraw/zinc/04/80/46/388048046.db2.gz ARNMVPKEMSYOGP-MJBXVCDLSA-N 2 1 242.407 2.121 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000160134487 388048050 /nfs/dbraw/zinc/04/80/50/388048050.db2.gz ARNMVPKEMSYOGP-MJBXVCDLSA-N 2 1 242.407 2.121 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423271369 388049001 /nfs/dbraw/zinc/04/90/01/388049001.db2.gz HGIQNDHIJRQOOD-RISCZKNCSA-N 2 1 218.344 2.383 20 0 BEADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)CC2 ZINC000423270591 388049975 /nfs/dbraw/zinc/04/99/75/388049975.db2.gz ICSILLFYEPVABM-CABCVRRESA-N 2 1 248.370 2.255 20 0 BEADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H](C)C[NH2+]C ZINC000423269533 388050196 /nfs/dbraw/zinc/05/01/96/388050196.db2.gz HDPOGCFBDWFGFO-NWDGAFQWSA-N 2 1 235.375 2.150 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000449330520 388174392 /nfs/dbraw/zinc/17/43/92/388174392.db2.gz UKSQVYFHWWCYKW-YNEHKIRRSA-N 2 1 244.448 2.448 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000449330520 388174394 /nfs/dbraw/zinc/17/43/94/388174394.db2.gz UKSQVYFHWWCYKW-YNEHKIRRSA-N 2 1 244.448 2.448 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000449330515 388174419 /nfs/dbraw/zinc/17/44/19/388174419.db2.gz UKSQVYFHWWCYKW-FRRDWIJNSA-N 2 1 244.448 2.448 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000449330515 388174422 /nfs/dbraw/zinc/17/44/22/388174422.db2.gz UKSQVYFHWWCYKW-FRRDWIJNSA-N 2 1 244.448 2.448 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(C)(F)F)[C@@H](C)C1 ZINC000449354693 388179920 /nfs/dbraw/zinc/17/99/20/388179920.db2.gz QMSZPVNBDOJOGQ-WDEREUQCSA-N 2 1 234.334 2.352 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccoc2)C1 ZINC000449089320 388140685 /nfs/dbraw/zinc/14/06/85/388140685.db2.gz JWELQWYAMXSTDC-JSGCOSHPSA-N 2 1 236.359 2.142 20 0 BEADMP CC(C)CCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000164659608 388242735 /nfs/dbraw/zinc/24/27/35/388242735.db2.gz VLLGTZBBXFOEDW-STQMWFEESA-N 2 1 212.381 2.339 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000414927221 256629432 /nfs/dbraw/zinc/62/94/32/256629432.db2.gz LTLGGEZNIGGYCP-VHDGCEQUSA-N 2 1 232.371 2.335 20 0 BEADMP Cc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)o1 ZINC000276368773 388348895 /nfs/dbraw/zinc/34/88/95/388348895.db2.gz AOUZPJDJLJOFLX-LLVKDONJSA-N 2 1 233.315 2.215 20 0 BEADMP CCc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000234140504 388353423 /nfs/dbraw/zinc/35/34/23/388353423.db2.gz HAKBCHGYNQZWCQ-WDEREUQCSA-N 2 1 206.333 2.247 20 0 BEADMP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)C[NH3+])c1 ZINC000235094691 388365455 /nfs/dbraw/zinc/36/54/55/388365455.db2.gz BIDNQRTZHAOUQH-NWDGAFQWSA-N 2 1 206.333 2.301 20 0 BEADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccncc1 ZINC000163686482 388366548 /nfs/dbraw/zinc/36/65/48/388366548.db2.gz KIEABUFYEMZJCN-CQSZACIVSA-N 2 1 233.359 2.217 20 0 BEADMP C[C@H](CN)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000235459313 388369593 /nfs/dbraw/zinc/36/95/93/388369593.db2.gz XVARVRUSLBDWPE-BDAKNGLRSA-N 2 1 212.724 2.338 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000235459313 388369595 /nfs/dbraw/zinc/36/95/95/388369595.db2.gz XVARVRUSLBDWPE-BDAKNGLRSA-N 2 1 212.724 2.338 20 0 BEADMP Cc1cnccc1CC[N@H+](C)C[C@H]1CCCOC1 ZINC000572872620 388383241 /nfs/dbraw/zinc/38/32/41/388383241.db2.gz GNTIUIQIRGTHIG-CQSZACIVSA-N 2 1 248.370 2.291 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300924121 388386837 /nfs/dbraw/zinc/38/68/37/388386837.db2.gz LRFSLUTWBMJOTR-HBNTYKKESA-N 2 1 232.318 2.091 20 0 BEADMP C[N@@H+](C[C@@H]1CCC(F)(F)C1)C1CC[NH2+]CC1 ZINC000300961931 388395357 /nfs/dbraw/zinc/39/53/57/388395357.db2.gz POVQHHJHIXMXNI-SNVBAGLBSA-N 2 1 232.318 2.106 20 0 BEADMP CCc1nc(NC(C)(C)C[NH+](C)C)cc(C)[nH+]1 ZINC000308633025 388446380 /nfs/dbraw/zinc/44/63/80/388446380.db2.gz IAVZPVJXNIXZJY-UHFFFAOYSA-N 2 1 236.363 2.100 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)nc1 ZINC000397264799 388455769 /nfs/dbraw/zinc/45/57/69/388455769.db2.gz IQWDKXVMOISJGX-RDBSUJKOSA-N 2 1 247.386 2.195 20 0 BEADMP C[N@@H+](Cc1ccc2ncccc2c1)C1CC([NH3+])C1 ZINC000336233451 388456697 /nfs/dbraw/zinc/45/66/97/388456697.db2.gz NDIHEEFUVZXKST-UHFFFAOYSA-N 2 1 241.338 2.156 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)[C@H]1C ZINC000336702888 388465531 /nfs/dbraw/zinc/46/55/31/388465531.db2.gz QEGHCHDQGXSKQL-LBELIVKGSA-N 2 1 210.365 2.103 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@H]1C ZINC000336702888 388465533 /nfs/dbraw/zinc/46/55/33/388465533.db2.gz QEGHCHDQGXSKQL-LBELIVKGSA-N 2 1 210.365 2.103 20 0 BEADMP CCC[C@H](C)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000336712253 388466907 /nfs/dbraw/zinc/46/69/07/388466907.db2.gz UXNXDUWPIJSGEL-ZDEQEGDKSA-N 2 1 210.365 2.092 20 0 BEADMP CCC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)OC ZINC000356333473 388548379 /nfs/dbraw/zinc/54/83/79/388548379.db2.gz KYNXDFPWMLXFCU-MELADBBJSA-N 2 1 240.391 2.018 20 0 BEADMP CCC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)OC ZINC000356333488 388548528 /nfs/dbraw/zinc/54/85/28/388548528.db2.gz LDCBHIKUWFPZAU-XJFOESAGSA-N 2 1 242.407 2.120 20 0 BEADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCC2(O)CCC2)c2ccccc21 ZINC000397760397 388497270 /nfs/dbraw/zinc/49/72/70/388497270.db2.gz VHRWQHTTWXTASL-ZIAGYGMSSA-N 2 1 246.354 2.026 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CS1 ZINC000397796012 388499698 /nfs/dbraw/zinc/49/96/98/388499698.db2.gz ANLLFKJMHIAKMH-CKIKVBCHSA-N 2 1 242.432 2.199 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)C1CC1 ZINC000397976436 388513508 /nfs/dbraw/zinc/51/35/08/388513508.db2.gz KRJAUPNCDIHQBW-ZYHUDNBSSA-N 2 1 210.365 2.153 20 0 BEADMP c1ccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)nc1 ZINC000516973478 256809002 /nfs/dbraw/zinc/80/90/02/256809002.db2.gz UMTBJOILTKSCND-ZFWWWQNUSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1cccs1 ZINC000516759672 388515728 /nfs/dbraw/zinc/51/57/28/388515728.db2.gz WWMFIJILMSNMIP-AAEUAGOBSA-N 2 1 238.400 2.268 20 0 BEADMP CC(C)CCC[N@@H+](C)CCC[NH+](C)C ZINC000516815403 388519112 /nfs/dbraw/zinc/51/91/12/388519112.db2.gz PHMDVMMDYMWAMU-UHFFFAOYSA-N 2 1 200.370 2.306 20 0 BEADMP CC[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H]([NH2+]C)C2)C1 ZINC000346627655 388520158 /nfs/dbraw/zinc/52/01/58/388520158.db2.gz AHRYTTAFRVDMBW-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H]([NH2+]C)C2)C1 ZINC000346627655 388520160 /nfs/dbraw/zinc/52/01/60/388520160.db2.gz AHRYTTAFRVDMBW-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346842695 388520475 /nfs/dbraw/zinc/52/04/75/388520475.db2.gz IKDRWOKRBYQDHF-NIFZNCRKSA-N 2 1 236.403 2.482 20 0 BEADMP CC[C@H](C)C[N@@H+](C)C1CCN(CC)CC1 ZINC000088492348 388530910 /nfs/dbraw/zinc/53/09/10/388530910.db2.gz ZWFAEEKPQIRXQC-LBPRGKRZSA-N 2 1 212.381 2.449 20 0 BEADMP CC[C@H](C)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000088492348 388530913 /nfs/dbraw/zinc/53/09/13/388530913.db2.gz ZWFAEEKPQIRXQC-LBPRGKRZSA-N 2 1 212.381 2.449 20 0 BEADMP CC[C@H](C)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000088492348 388530916 /nfs/dbraw/zinc/53/09/16/388530916.db2.gz ZWFAEEKPQIRXQC-LBPRGKRZSA-N 2 1 212.381 2.449 20 0 BEADMP CC[N@H+]1CC[C@H](CN[C@H](C)c2ccoc2)C1 ZINC000245867570 388609056 /nfs/dbraw/zinc/60/90/56/388609056.db2.gz MFJGSSMDRUOYIC-VXGBXAGGSA-N 2 1 222.332 2.272 20 0 BEADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccoc2)C1 ZINC000245867570 388609058 /nfs/dbraw/zinc/60/90/58/388609058.db2.gz MFJGSSMDRUOYIC-VXGBXAGGSA-N 2 1 222.332 2.272 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccoc2)C1 ZINC000245867570 388609059 /nfs/dbraw/zinc/60/90/59/388609059.db2.gz MFJGSSMDRUOYIC-VXGBXAGGSA-N 2 1 222.332 2.272 20 0 BEADMP CS[C@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000521192233 388564747 /nfs/dbraw/zinc/56/47/47/388564747.db2.gz OCILFBUQBHIHSM-OLZOCXBDSA-N 2 1 242.432 2.298 20 0 BEADMP CS[C@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000521192233 388564749 /nfs/dbraw/zinc/56/47/49/388564749.db2.gz OCILFBUQBHIHSM-OLZOCXBDSA-N 2 1 242.432 2.298 20 0 BEADMP CS[C@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000521192233 388564751 /nfs/dbraw/zinc/56/47/51/388564751.db2.gz OCILFBUQBHIHSM-OLZOCXBDSA-N 2 1 242.432 2.298 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC(C)C)[C@@H](C)C1 ZINC000245426802 388579081 /nfs/dbraw/zinc/57/90/81/388579081.db2.gz LMYVGJUYUHMYBT-QWHCGFSZSA-N 2 1 212.381 2.305 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC(C)C)[C@@H](C)C1 ZINC000245426802 388579084 /nfs/dbraw/zinc/57/90/84/388579084.db2.gz LMYVGJUYUHMYBT-QWHCGFSZSA-N 2 1 212.381 2.305 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC(C)C)[C@@H](C)C1 ZINC000245426802 388579085 /nfs/dbraw/zinc/57/90/85/388579085.db2.gz LMYVGJUYUHMYBT-QWHCGFSZSA-N 2 1 212.381 2.305 20 0 BEADMP CC/C=C/CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000184553053 388579239 /nfs/dbraw/zinc/57/92/39/388579239.db2.gz RBWKHNLHBQMAJB-GFUIURDCSA-N 2 1 210.365 2.226 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCS2)[C@@H](C)C1 ZINC000224554217 388665818 /nfs/dbraw/zinc/66/58/18/388665818.db2.gz BLRTYROITLZHRK-AVGNSLFASA-N 2 1 242.432 2.202 20 0 BEADMP CC1=CC[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000552117519 388670790 /nfs/dbraw/zinc/67/07/90/388670790.db2.gz PPZPIWQILHKFIS-ZIAGYGMSSA-N 2 1 222.376 2.417 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CC)CC2)[C@H](C)C1 ZINC000246330072 388631421 /nfs/dbraw/zinc/63/14/21/388631421.db2.gz GAIUJVUPQZQEKY-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP CC1(C)CC(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000530219953 388632255 /nfs/dbraw/zinc/63/22/55/388632255.db2.gz LUBUQLGBXQZEDN-CHWSQXEVSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC1CC(C)(C)C1 ZINC000530225154 388635028 /nfs/dbraw/zinc/63/50/28/388635028.db2.gz WUSFEQSWPMLIBB-MNOVXSKESA-N 2 1 210.365 2.092 20 0 BEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC1CC(C)(C)C1 ZINC000530225151 388635458 /nfs/dbraw/zinc/63/54/58/388635458.db2.gz WUSFEQSWPMLIBB-GHMZBOCLSA-N 2 1 210.365 2.092 20 0 BEADMP COCCC1CC[NH+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000530243524 388638772 /nfs/dbraw/zinc/63/87/72/388638772.db2.gz RUWCLBJIOJIYQD-AWEZNQCLSA-N 2 1 242.407 2.108 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CCC2)[C@@H](C)C1 ZINC000246487033 388639339 /nfs/dbraw/zinc/63/93/39/388639339.db2.gz IDHMLTMCCNZIHW-JSGCOSHPSA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CCC2)[C@@H](C)C1 ZINC000246487033 388639341 /nfs/dbraw/zinc/63/93/41/388639341.db2.gz IDHMLTMCCNZIHW-JSGCOSHPSA-N 2 1 224.392 2.449 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CCC2)[C@@H](C)C1 ZINC000246487033 388639342 /nfs/dbraw/zinc/63/93/42/388639342.db2.gz IDHMLTMCCNZIHW-JSGCOSHPSA-N 2 1 224.392 2.449 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCC2)[C@@H](C)C1 ZINC000222821413 388645220 /nfs/dbraw/zinc/64/52/20/388645220.db2.gz DLVDLELQCTZUIC-AAEUAGOBSA-N 2 1 210.365 2.106 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CCC2)[C@@H](C)C1 ZINC000222821349 388645227 /nfs/dbraw/zinc/64/52/27/388645227.db2.gz DLVDLELQCTZUIC-WCQYABFASA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC=CCC2)CC[N@H+]1C ZINC000222825003 388645290 /nfs/dbraw/zinc/64/52/90/388645290.db2.gz MZSIJNWCHHIZIM-MGPQQGTHSA-N 2 1 222.376 2.415 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC=CCC2)CC[N@H+]1C ZINC000222824882 388645671 /nfs/dbraw/zinc/64/56/71/388645671.db2.gz MZSIJNWCHHIZIM-MCIONIFRSA-N 2 1 222.376 2.415 20 0 BEADMP Cc1ccncc1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530355222 388651814 /nfs/dbraw/zinc/65/18/14/388651814.db2.gz IHCSEJZKYWLICM-GFCCVEGCSA-N 2 1 244.342 2.017 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000251567889 388749404 /nfs/dbraw/zinc/74/94/04/388749404.db2.gz AOKZPQDHUQWSSE-NDBYEHHHSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000251567889 388749406 /nfs/dbraw/zinc/74/94/06/388749406.db2.gz AOKZPQDHUQWSSE-NDBYEHHHSA-N 2 1 210.365 2.247 20 0 BEADMP COC[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)C(C)C ZINC000086700184 388690449 /nfs/dbraw/zinc/69/04/49/388690449.db2.gz IBXWHIZYGKGFTE-ZIAGYGMSSA-N 2 1 242.407 2.121 20 0 BEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000248969634 388702198 /nfs/dbraw/zinc/70/21/98/388702198.db2.gz DAIRTCTUKFJPSR-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000248969634 388702199 /nfs/dbraw/zinc/70/21/99/388702199.db2.gz DAIRTCTUKFJPSR-KGLIPLIRSA-N 2 1 242.407 2.075 20 0 BEADMP CC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H](C)C(C)C ZINC000226437213 388719344 /nfs/dbraw/zinc/71/93/44/388719344.db2.gz UPBZWXISNFUCNT-STQMWFEESA-N 2 1 212.381 2.352 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)[C@H]2CCC[C@@H]21 ZINC000554095444 388799077 /nfs/dbraw/zinc/79/90/77/388799077.db2.gz FNDHLNSTAPQOMF-DGORSVRFSA-N 2 1 244.329 2.102 20 0 BEADMP CC[C@@H]([NH2+]CC[N@@H+](C)[C@@H](C)CC)C1CC1 ZINC000252711219 388772064 /nfs/dbraw/zinc/77/20/64/388772064.db2.gz IWXHHJDFPZQCJC-WCQYABFASA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H]([NH2+]CC[N@H+](C)[C@@H](C)CC)C1CC1 ZINC000252711219 388772066 /nfs/dbraw/zinc/77/20/66/388772066.db2.gz IWXHHJDFPZQCJC-WCQYABFASA-N 2 1 212.381 2.495 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCC1CC1 ZINC000129728372 388868728 /nfs/dbraw/zinc/86/87/28/388868728.db2.gz NBLLYTJEBVIXJH-AAEUAGOBSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H](C[NH3+])[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000564793258 388890267 /nfs/dbraw/zinc/89/02/67/388890267.db2.gz FWZNGOLXWJWSNF-RISCZKNCSA-N 2 1 218.344 2.465 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000564823581 388891477 /nfs/dbraw/zinc/89/14/77/388891477.db2.gz HLINLAFPDHAXJF-IINYFYTJSA-N 2 1 222.376 2.010 20 0 BEADMP C([NH2+][C@H]1CCCC12CC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000565242670 388930595 /nfs/dbraw/zinc/93/05/95/388930595.db2.gz GVQSIDLWXWHNPR-JSGCOSHPSA-N 2 1 234.387 2.393 20 0 BEADMP c1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)nc1 ZINC000564975601 388904225 /nfs/dbraw/zinc/90/42/25/388904225.db2.gz LEXJVSDCZHSTDN-HIFRSBDPSA-N 2 1 245.370 2.218 20 0 BEADMP Cn1c[nH+]cc1CCC[N@H+](C)CC(C)(C)C ZINC000565370178 388940910 /nfs/dbraw/zinc/94/09/10/388940910.db2.gz JSLAPZSHQUVMFO-UHFFFAOYSA-N 2 1 223.364 2.331 20 0 BEADMP Cn1c[nH+]cc1CCC[N@@H+](C)CC(C)(C)C ZINC000565370178 388940913 /nfs/dbraw/zinc/94/09/13/388940913.db2.gz JSLAPZSHQUVMFO-UHFFFAOYSA-N 2 1 223.364 2.331 20 0 BEADMP CSC1(C[NH2+]CCCn2cc[nH+]c2C)CC1 ZINC000289162640 389014110 /nfs/dbraw/zinc/01/41/10/389014110.db2.gz DRPNSYRHTMJILL-UHFFFAOYSA-N 2 1 239.388 2.067 20 0 BEADMP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cscn1 ZINC000271841041 389025526 /nfs/dbraw/zinc/02/55/26/389025526.db2.gz GTPWIJACCQXJTE-SNVBAGLBSA-N 2 1 237.372 2.056 20 0 BEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cscn1 ZINC000271841041 389025528 /nfs/dbraw/zinc/02/55/28/389025528.db2.gz GTPWIJACCQXJTE-SNVBAGLBSA-N 2 1 237.372 2.056 20 0 BEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1nccs1 ZINC000271900542 389025874 /nfs/dbraw/zinc/02/58/74/389025874.db2.gz VMQXWPZBSXVRDN-JTQLQIEISA-N 2 1 237.372 2.056 20 0 BEADMP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1nccs1 ZINC000271900542 389025871 /nfs/dbraw/zinc/02/58/71/389025871.db2.gz VMQXWPZBSXVRDN-JTQLQIEISA-N 2 1 237.372 2.056 20 0 BEADMP COCCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300408600 533233592 /nfs/dbraw/zinc/23/35/92/533233592.db2.gz CAOAORRTKFXVRY-KBPBESRZSA-N 2 1 240.391 2.020 20 0 BEADMP CC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c(C)c2)C1 ZINC000274358461 169707048 /nfs/dbraw/zinc/70/70/48/169707048.db2.gz MLEXVUVMIOPWAP-CYBMUJFWSA-N 2 1 233.359 2.168 20 0 BEADMP C(=C/c1ccccc1)\C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261567885 533352819 /nfs/dbraw/zinc/35/28/19/533352819.db2.gz IUNQKCWCRVIKKQ-RRGWEWPQSA-N 2 1 242.366 2.385 20 0 BEADMP C(=C/c1ccccc1)\C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261567885 533352824 /nfs/dbraw/zinc/35/28/24/533352824.db2.gz IUNQKCWCRVIKKQ-RRGWEWPQSA-N 2 1 242.366 2.385 20 0 BEADMP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1CCCC1 ZINC000261571345 533364007 /nfs/dbraw/zinc/36/40/07/533364007.db2.gz HMQJUTVSHNCZPV-KGLIPLIRSA-N 2 1 222.376 2.251 20 0 BEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000251586194 533370700 /nfs/dbraw/zinc/37/07/00/533370700.db2.gz YYUPDPZZLUYRJG-KGLIPLIRSA-N 2 1 222.376 2.393 20 0 BEADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCCC12CCC2 ZINC000261548855 533375954 /nfs/dbraw/zinc/37/59/54/533375954.db2.gz NYSMREDTCMIVQB-GFCCVEGCSA-N 2 1 208.349 2.005 20 0 BEADMP Cc1cc[nH+]c(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000268884531 132193475 /nfs/dbraw/zinc/19/34/75/132193475.db2.gz WUPCNWGIFLTYJI-KGLIPLIRSA-N 2 1 245.370 2.311 20 0 BEADMP Cc1cc[nH+]c(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000268884531 132193478 /nfs/dbraw/zinc/19/34/78/132193478.db2.gz WUPCNWGIFLTYJI-KGLIPLIRSA-N 2 1 245.370 2.311 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC[C@H](C)F)C1 ZINC000352003345 134034358 /nfs/dbraw/zinc/03/43/58/134034358.db2.gz LLXTYQZFSNGIHB-NWDGAFQWSA-N 2 1 216.344 2.008 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](CC[C@H](C)F)C1 ZINC000352003345 134034359 /nfs/dbraw/zinc/03/43/59/134034359.db2.gz LLXTYQZFSNGIHB-NWDGAFQWSA-N 2 1 216.344 2.008 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC000352003345 134034360 /nfs/dbraw/zinc/03/43/60/134034360.db2.gz LLXTYQZFSNGIHB-NWDGAFQWSA-N 2 1 216.344 2.008 20 0 BEADMP C[C@H](F)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000352051356 134048087 /nfs/dbraw/zinc/04/80/87/134048087.db2.gz ZJQXEEBMTKIPAA-QWHCGFSZSA-N 2 1 228.355 2.152 20 0 BEADMP C[C@@H]1CC[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1 ZINC000336054446 134065669 /nfs/dbraw/zinc/06/56/69/134065669.db2.gz AURFSMYCRYCJHB-UKRRQHHQSA-N 2 1 236.403 2.498 20 0 BEADMP CCc1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc[nH+]1 ZINC000336201594 134130801 /nfs/dbraw/zinc/13/08/01/134130801.db2.gz ZTLMDJDLBSEUCS-OAHLLOKOSA-N 2 1 245.370 2.176 20 0 BEADMP CCC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000336207274 134132971 /nfs/dbraw/zinc/13/29/71/134132971.db2.gz WKAHXHXZAKCGFE-ZRRUAHMRSA-N 2 1 222.376 2.390 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC000168520283 134225405 /nfs/dbraw/zinc/22/54/05/134225405.db2.gz CMCMKDNEIOXJQH-FKZOYECMSA-N 2 1 224.392 2.482 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)o1 ZINC000168722824 134247188 /nfs/dbraw/zinc/24/71/88/134247188.db2.gz MHUJINZTCFBGGP-RYUDHWBXSA-N 2 1 222.332 2.381 20 0 BEADMP CC(C)C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178972781 134313940 /nfs/dbraw/zinc/31/39/40/134313940.db2.gz UZCCXRFDIFCJRS-AWEZNQCLSA-N 2 1 224.392 2.354 20 0 BEADMP CCSCC[C@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000178976807 134314301 /nfs/dbraw/zinc/31/43/01/134314301.db2.gz MGNWOQZJCMTOGY-LBPRGKRZSA-N 2 1 244.448 2.450 20 0 BEADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@H]1C1CCC1 ZINC000178971075 134314372 /nfs/dbraw/zinc/31/43/72/134314372.db2.gz NVKDJDYBEJYSMM-CQSZACIVSA-N 2 1 222.376 2.251 20 0 BEADMP CC[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000179308487 134320404 /nfs/dbraw/zinc/32/04/04/134320404.db2.gz UNGXMUVTHPFJPF-LLVKDONJSA-N 2 1 209.337 2.312 20 0 BEADMP CC[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000179308487 134320405 /nfs/dbraw/zinc/32/04/05/134320405.db2.gz UNGXMUVTHPFJPF-LLVKDONJSA-N 2 1 209.337 2.312 20 0 BEADMP COc1ccccc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000179637108 134323165 /nfs/dbraw/zinc/32/31/65/134323165.db2.gz MEUPTQMESBOREY-ZDUSSCGKSA-N 2 1 248.370 2.079 20 0 BEADMP COc1ccccc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000179637108 134323166 /nfs/dbraw/zinc/32/31/66/134323166.db2.gz MEUPTQMESBOREY-ZDUSSCGKSA-N 2 1 248.370 2.079 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCC1 ZINC000222017559 134329314 /nfs/dbraw/zinc/32/93/14/134329314.db2.gz PCFDYXAUDCLCGS-YUTCNCBUSA-N 2 1 222.376 2.391 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CCC1 ZINC000222017559 134329315 /nfs/dbraw/zinc/32/93/15/134329315.db2.gz PCFDYXAUDCLCGS-YUTCNCBUSA-N 2 1 222.376 2.391 20 0 BEADMP Cc1cncc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000181842507 134340048 /nfs/dbraw/zinc/34/00/48/134340048.db2.gz UKGNIQBFDWHJAB-GZBFAFLISA-N 2 1 247.386 2.208 20 0 BEADMP Cc1cncc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000181842507 134340049 /nfs/dbraw/zinc/34/00/49/134340049.db2.gz UKGNIQBFDWHJAB-GZBFAFLISA-N 2 1 247.386 2.208 20 0 BEADMP C[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224117918 134341842 /nfs/dbraw/zinc/34/18/42/134341842.db2.gz CTXGMSAWONUCHY-KXUCPTDWSA-N 2 1 238.297 2.400 20 0 BEADMP CCC[NH+]1CCC([NH2+]Cc2cncc(C)c2)CC1 ZINC000223819951 134342837 /nfs/dbraw/zinc/34/28/37/134342837.db2.gz JDKJIQPCIUAWLV-UHFFFAOYSA-N 2 1 247.386 2.354 20 0 BEADMP CCSCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000224012858 134343906 /nfs/dbraw/zinc/34/39/06/134343906.db2.gz CATCVZCDHXHIPW-STQMWFEESA-N 2 1 242.432 2.156 20 0 BEADMP CCSCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000224012858 134343907 /nfs/dbraw/zinc/34/39/07/134343907.db2.gz CATCVZCDHXHIPW-STQMWFEESA-N 2 1 242.432 2.156 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC(C)(C)O2)CC[N@H+]1C ZINC000248570035 135004563 /nfs/dbraw/zinc/00/45/63/135004563.db2.gz LNRMPFLVNKRSEH-FRRDWIJNSA-N 2 1 240.391 2.016 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC(C)(C)O2)CC[N@H+]1C ZINC000248570039 135005011 /nfs/dbraw/zinc/00/50/11/135005011.db2.gz LNRMPFLVNKRSEH-JHJVBQTASA-N 2 1 240.391 2.016 20 0 BEADMP CC(C)(C)[C@H]1CCC[N@@H+](CCC[NH3+])CC1 ZINC000070652724 135005607 /nfs/dbraw/zinc/00/56/07/135005607.db2.gz ZFUNVBHLIYGHKK-LBPRGKRZSA-N 2 1 212.381 2.483 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cncc(C)c2)C1 ZINC000248754028 135020489 /nfs/dbraw/zinc/02/04/89/135020489.db2.gz UQXLZRBTYBDKIQ-KGLIPLIRSA-N 2 1 247.386 2.382 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C2(C)CC2)C1 ZINC000249380218 135037879 /nfs/dbraw/zinc/03/78/79/135037879.db2.gz PVVZWCUMLHUSID-NEPJUHHUSA-N 2 1 210.365 2.106 20 0 BEADMP CCCCOCC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000249881575 135047293 /nfs/dbraw/zinc/04/72/93/135047293.db2.gz NZMIFGFGABLXBG-STQMWFEESA-N 2 1 228.380 2.005 20 0 BEADMP CCCCOCC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000249881575 135047294 /nfs/dbraw/zinc/04/72/94/135047294.db2.gz NZMIFGFGABLXBG-STQMWFEESA-N 2 1 228.380 2.005 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2C)C1 ZINC000250257090 135052035 /nfs/dbraw/zinc/05/20/35/135052035.db2.gz JFCSKVSNNWQWRT-XQQFMLRXSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1C[N@@H+](CCCc2ccccc2)CC[C@H]1[NH3+] ZINC000251615886 135072477 /nfs/dbraw/zinc/07/24/77/135072477.db2.gz DRNWZLBWEXEPDR-UKRRQHHQSA-N 2 1 232.371 2.288 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CS1 ZINC000252203615 135086852 /nfs/dbraw/zinc/08/68/52/135086852.db2.gz WTPMYMMZSMBWGU-VOAKCMCISA-N 2 1 240.416 2.097 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC1(C)C ZINC000252440880 135090003 /nfs/dbraw/zinc/09/00/03/135090003.db2.gz XOLBYBXNFITZAE-WYUUTHIRSA-N 2 1 210.365 2.103 20 0 BEADMP C[C@H]1CC[C@H]([N@@H+](C)CC2CC[NH2+]CC2)C1 ZINC000086701590 135093991 /nfs/dbraw/zinc/09/39/91/135093991.db2.gz DRZJUWLMSHKWQF-AAEUAGOBSA-N 2 1 210.365 2.106 20 0 BEADMP C1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000252675435 135095988 /nfs/dbraw/zinc/09/59/88/135095988.db2.gz ZTUBPWUGZCJWMQ-STQMWFEESA-N 2 1 208.349 2.145 20 0 BEADMP C[C@H](c1ccccn1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257669488 135100963 /nfs/dbraw/zinc/10/09/63/135100963.db2.gz DLRCSKRMKWYPMG-CYBMUJFWSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000252717052 135102295 /nfs/dbraw/zinc/10/22/95/135102295.db2.gz ZQMWPIMOALWDCD-JHJVBQTASA-N 2 1 242.432 2.202 20 0 BEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(C)CCCC1 ZINC000252729731 135103681 /nfs/dbraw/zinc/10/36/81/135103681.db2.gz IAPZSHYFRUURSX-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000252731753 135104461 /nfs/dbraw/zinc/10/44/61/135104461.db2.gz RJYGCKZYEQMESY-STQMWFEESA-N 2 1 222.376 2.393 20 0 BEADMP CC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252875212 135115057 /nfs/dbraw/zinc/11/50/57/135115057.db2.gz VOJJTLOLMKSIDR-ZDEQEGDKSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccs1 ZINC000252895351 135116224 /nfs/dbraw/zinc/11/62/24/135116224.db2.gz YLSGGLMTGNTIHX-ZYHUDNBSSA-N 2 1 224.373 2.178 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccs1 ZINC000252895351 135116226 /nfs/dbraw/zinc/11/62/26/135116226.db2.gz YLSGGLMTGNTIHX-ZYHUDNBSSA-N 2 1 224.373 2.178 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000252892584 135116498 /nfs/dbraw/zinc/11/64/98/135116498.db2.gz NYOWOXNMTHBALP-BXUZGUMPSA-N 2 1 236.334 2.256 20 0 BEADMP C[C@@H]1CC[N@H+](CC[NH2+]C(C)(C)C)C[C@H]1C ZINC000253073842 135119958 /nfs/dbraw/zinc/11/99/58/135119958.db2.gz PDQRTUXZLVQQRN-VXGBXAGGSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]1CC[N@@H+](CC[NH2+]C(C)(C)C)C[C@H]1C ZINC000253073842 135119959 /nfs/dbraw/zinc/11/99/59/135119959.db2.gz PDQRTUXZLVQQRN-VXGBXAGGSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000253279352 135125734 /nfs/dbraw/zinc/12/57/34/135125734.db2.gz JXRCHDMRMSOKSP-PEBLQZBPSA-N 2 1 224.392 2.493 20 0 BEADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c(C)c1 ZINC000258769535 135134063 /nfs/dbraw/zinc/13/40/63/135134063.db2.gz AZWOYXUAUQZFNZ-UONOGXRCSA-N 2 1 218.344 2.273 20 0 BEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000258892665 135135392 /nfs/dbraw/zinc/13/53/92/135135392.db2.gz HDWRHXMKVZCLEE-IUCAKERBSA-N 2 1 230.764 2.371 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000257712245 135140791 /nfs/dbraw/zinc/14/07/91/135140791.db2.gz TVAOOOMHXZPLEV-MRXNPFEDSA-N 2 1 244.382 2.489 20 0 BEADMP Cc1ccsc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257739731 135141215 /nfs/dbraw/zinc/14/12/15/135141215.db2.gz YRVXABDGTABFLC-CYBMUJFWSA-N 2 1 236.384 2.242 20 0 BEADMP C[NH2+]CCC[N@H+](C)Cc1cc(C)sc1C ZINC000087472325 135143249 /nfs/dbraw/zinc/14/32/49/135143249.db2.gz NTQXBKMNBFDAER-UHFFFAOYSA-N 2 1 226.389 2.406 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1cc(C)sc1C ZINC000087472325 135143250 /nfs/dbraw/zinc/14/32/50/135143250.db2.gz NTQXBKMNBFDAER-UHFFFAOYSA-N 2 1 226.389 2.406 20 0 BEADMP C[NH2+]CCC[N@H+](C)[C@H](C)c1cccc(F)c1 ZINC000087472249 135143483 /nfs/dbraw/zinc/14/34/83/135143483.db2.gz QRTJQYLJZCVUDH-LLVKDONJSA-N 2 1 224.323 2.428 20 0 BEADMP C[NH2+]CCC[N@@H+](C)[C@H](C)c1cccc(F)c1 ZINC000087472249 135143486 /nfs/dbraw/zinc/14/34/86/135143486.db2.gz QRTJQYLJZCVUDH-LLVKDONJSA-N 2 1 224.323 2.428 20 0 BEADMP CC1CCC(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000261545386 135144961 /nfs/dbraw/zinc/14/49/61/135144961.db2.gz GANOEVFIGHAVSZ-PFSRBDOWSA-N 2 1 236.403 2.497 20 0 BEADMP CC1CCC(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000261545386 135144963 /nfs/dbraw/zinc/14/49/63/135144963.db2.gz GANOEVFIGHAVSZ-PFSRBDOWSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000261528048 135152526 /nfs/dbraw/zinc/15/25/26/135152526.db2.gz JCVPLOSJQCMHMO-BDAKNGLRSA-N 2 1 212.724 2.165 20 0 BEADMP CC1(C[N@H+]2CCC[C@H](CC[NH3+])C2)CCC1 ZINC000261530138 135157111 /nfs/dbraw/zinc/15/71/11/135157111.db2.gz CBZLHOMRLOOPRT-GFCCVEGCSA-N 2 1 210.365 2.237 20 0 BEADMP C[C@@H](C1CC1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261530766 135158559 /nfs/dbraw/zinc/15/85/59/135158559.db2.gz CZKPCMOMCASSEL-GRYCIOLGSA-N 2 1 210.365 2.105 20 0 BEADMP CC(C)(C)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261532248 135162702 /nfs/dbraw/zinc/16/27/02/135162702.db2.gz JTHYWZKNPJBADQ-SRVKXCTJSA-N 2 1 210.365 2.092 20 0 BEADMP C[C@@H]1C[C@H](C[N@@H+](C)CCC2CC2)CC[NH2+]1 ZINC000261533287 135164890 /nfs/dbraw/zinc/16/48/90/135164890.db2.gz KQAGFIPUOKFHDR-DGCLKSJQSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)CCS1 ZINC000261533413 135164907 /nfs/dbraw/zinc/16/49/07/135164907.db2.gz IHCGJTOYNRXHTN-FRRDWIJNSA-N 2 1 242.432 2.202 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261533644 135165118 /nfs/dbraw/zinc/16/51/18/135165118.db2.gz JCKHJDLGGWBNON-GXTWGEPZSA-N 2 1 218.344 2.082 20 0 BEADMP Cc1cccc(C)c1C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261533644 135165119 /nfs/dbraw/zinc/16/51/19/135165119.db2.gz JCKHJDLGGWBNON-GXTWGEPZSA-N 2 1 218.344 2.082 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000261534254 135166591 /nfs/dbraw/zinc/16/65/91/135166591.db2.gz PASPCRFCOCPAPP-TZMCWYRMSA-N 2 1 218.344 2.082 20 0 BEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC000261535559 135169444 /nfs/dbraw/zinc/16/94/44/135169444.db2.gz ONXWXSRLUDJVDF-AAEUAGOBSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1CC[C@@H]([N@@H+](C)C[C@H]2CCC[NH2+]C2)C1 ZINC000261536747 135172596 /nfs/dbraw/zinc/17/25/96/135172596.db2.gz STWCNQFYYRDJCH-FRRDWIJNSA-N 2 1 210.365 2.106 20 0 BEADMP CC1(C)CCC(C[N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC000261537088 135173124 /nfs/dbraw/zinc/17/31/24/135173124.db2.gz UVEJKFWUMILPSO-GFCCVEGCSA-N 2 1 210.365 2.236 20 0 BEADMP CC1(C)CCC(C[N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC000261537088 135173126 /nfs/dbraw/zinc/17/31/26/135173126.db2.gz UVEJKFWUMILPSO-GFCCVEGCSA-N 2 1 210.365 2.236 20 0 BEADMP Cc1ccc(F)c(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000261540999 135179748 /nfs/dbraw/zinc/17/97/48/135179748.db2.gz IEJPKAJUBJCVDZ-VXGBXAGGSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c(C)c1 ZINC000261540950 135179973 /nfs/dbraw/zinc/17/99/73/135179973.db2.gz ARQZMUWYKRFGPB-OAHLLOKOSA-N 2 1 232.371 2.474 20 0 BEADMP Cc1ccc(F)c(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000261540998 135180479 /nfs/dbraw/zinc/18/04/79/135180479.db2.gz IEJPKAJUBJCVDZ-NEPJUHHUSA-N 2 1 236.334 2.303 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)ccc1F ZINC000261542089 135182718 /nfs/dbraw/zinc/18/27/18/135182718.db2.gz BSFKLTPYJBGGRB-AWEZNQCLSA-N 2 1 236.334 2.305 20 0 BEADMP C[C@H]([N@@H+](C)C[C@]1(C)CC[NH2+]C1)C1(C)CC1 ZINC000261543741 135184517 /nfs/dbraw/zinc/18/45/17/135184517.db2.gz ICLORWCZVGKEHU-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000261550305 135189014 /nfs/dbraw/zinc/18/90/14/135189014.db2.gz LFBBLGRGEMITCM-CBBWQLFWSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000261550305 135189016 /nfs/dbraw/zinc/18/90/16/135189016.db2.gz LFBBLGRGEMITCM-CBBWQLFWSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000261552267 135191553 /nfs/dbraw/zinc/19/15/53/135191553.db2.gz MUTRJUVAGIAKIB-CBBWQLFWSA-N 2 1 236.403 2.354 20 0 BEADMP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1F ZINC000261553274 135193273 /nfs/dbraw/zinc/19/32/73/135193273.db2.gz NRXBYGLTVVNQIW-BBBLOLIVSA-N 2 1 240.322 2.221 20 0 BEADMP CCC(C)(C)CC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000261555409 135194875 /nfs/dbraw/zinc/19/48/75/135194875.db2.gz UXAMVHGLYGSGNO-LBPRGKRZSA-N 2 1 212.381 2.483 20 0 BEADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000261556315 135196164 /nfs/dbraw/zinc/19/61/64/135196164.db2.gz BWSNHHYCPGYUKB-HRCADAONSA-N 2 1 244.382 2.473 20 0 BEADMP C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000261560152 135200758 /nfs/dbraw/zinc/20/07/58/135200758.db2.gz UFZXTCGQTKOVBL-RBSFLKMASA-N 2 1 236.403 2.498 20 0 BEADMP Cc1cccc(C)c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261561040 135201947 /nfs/dbraw/zinc/20/19/47/135201947.db2.gz FRYYUSRDJCWHSM-MRXNPFEDSA-N 2 1 244.382 2.489 20 0 BEADMP Cc1ccccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261561680 135202482 /nfs/dbraw/zinc/20/24/82/135202482.db2.gz VPESSKODPJYVGW-HUUCEWRRSA-N 2 1 230.355 2.179 20 0 BEADMP CCc1ccc([C@H]([NH2+]CC[NH3+])C(C)C)cc1 ZINC000261561241 135202886 /nfs/dbraw/zinc/20/28/86/135202886.db2.gz ANJHIZAOVXWXBX-CQSZACIVSA-N 2 1 220.360 2.494 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000261562341 135203740 /nfs/dbraw/zinc/20/37/40/135203740.db2.gz BFRHYRMGELWQRP-DGCLKSJQSA-N 2 1 236.384 2.240 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000261562341 135203741 /nfs/dbraw/zinc/20/37/41/135203741.db2.gz BFRHYRMGELWQRP-DGCLKSJQSA-N 2 1 236.384 2.240 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C)c1 ZINC000261562772 135204317 /nfs/dbraw/zinc/20/43/17/135204317.db2.gz GQAOJNDEPBCGAN-HZPDHXFCSA-N 2 1 244.382 2.487 20 0 BEADMP CC1CCC(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000261562894 135204779 /nfs/dbraw/zinc/20/47/79/135204779.db2.gz WRFBCNGOUAIHDE-YMAMQOFZSA-N 2 1 236.403 2.498 20 0 BEADMP CCC[N@@H+](Cc1ccccc1)C[C@@H](C)[NH3+] ZINC000261566915 135208795 /nfs/dbraw/zinc/20/87/95/135208795.db2.gz DSNRUWOUZCQHLD-GFCCVEGCSA-N 2 1 206.333 2.246 20 0 BEADMP CCC[N@H+](Cc1ccccc1)C[C@@H](C)[NH3+] ZINC000261566915 135208797 /nfs/dbraw/zinc/20/87/97/135208797.db2.gz DSNRUWOUZCQHLD-GFCCVEGCSA-N 2 1 206.333 2.246 20 0 BEADMP Cc1ccsc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261568129 135210127 /nfs/dbraw/zinc/21/01/27/135210127.db2.gz FJIZEPMXSQVYJB-NWDGAFQWSA-N 2 1 236.384 2.098 20 0 BEADMP Cc1ccsc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261568133 135210654 /nfs/dbraw/zinc/21/06/54/135210654.db2.gz FJIZEPMXSQVYJB-VXGBXAGGSA-N 2 1 236.384 2.098 20 0 BEADMP Cc1ccsc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261568128 135210666 /nfs/dbraw/zinc/21/06/66/135210666.db2.gz FJIZEPMXSQVYJB-NEPJUHHUSA-N 2 1 236.384 2.098 20 0 BEADMP Cc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000261569476 135211655 /nfs/dbraw/zinc/21/16/55/135211655.db2.gz JWNAPEQBXWNWAX-GDBMZVCRSA-N 2 1 244.382 2.345 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261574271 135215454 /nfs/dbraw/zinc/21/54/54/135215454.db2.gz MQROYXJMEJMJKV-GOEBONIOSA-N 2 1 244.382 2.487 20 0 BEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]12 ZINC000261574656 135216374 /nfs/dbraw/zinc/21/63/74/135216374.db2.gz JKCGDQCQVPLBHE-MGPQQGTHSA-N 2 1 222.376 2.236 20 0 BEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000261576007 135217385 /nfs/dbraw/zinc/21/73/85/135217385.db2.gz KAJUCIWUKIJIQA-MFKMUULPSA-N 2 1 238.762 2.428 20 0 BEADMP CCc1nc(N[C@H](C)[C@H]2CCC[NH2+]C2)cc(C)[nH+]1 ZINC000261575896 135217393 /nfs/dbraw/zinc/21/73/93/135217393.db2.gz NIOUULBKYZSGKT-NEPJUHHUSA-N 2 1 248.374 2.147 20 0 BEADMP CCc1nc(N[C@@H](C)[C@H]2CCC[NH2+]C2)cc(C)[nH+]1 ZINC000261575898 135217795 /nfs/dbraw/zinc/21/77/95/135217795.db2.gz NIOUULBKYZSGKT-RYUDHWBXSA-N 2 1 248.374 2.147 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000084385910 135218330 /nfs/dbraw/zinc/21/83/30/135218330.db2.gz VOSPQWKXVQJGNG-OLZOCXBDSA-N 2 1 210.365 2.108 20 0 BEADMP CC1CCC(C[N@H+]2CC[C@](C)(C[NH3+])C2)CC1 ZINC000261582346 135223012 /nfs/dbraw/zinc/22/30/12/135223012.db2.gz OFQSGIOBFCROEL-JXQTWKCFSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@@](C[NH3+])([NH2+]CC1CCCCC1)C1CC1 ZINC000261582723 135223403 /nfs/dbraw/zinc/22/34/03/135223403.db2.gz OOYPYIJIHWAUBQ-ZDUSSCGKSA-N 2 1 210.365 2.284 20 0 BEADMP CCOc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261583107 135224433 /nfs/dbraw/zinc/22/44/33/135224433.db2.gz RNQNHBDEPXEVGV-HNNXBMFYSA-N 2 1 248.370 2.256 20 0 BEADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)o1 ZINC000261584795 135226189 /nfs/dbraw/zinc/22/61/89/135226189.db2.gz PZTOZXSZJNFVSW-DLOVCJGASA-N 2 1 222.332 2.237 20 0 BEADMP COc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])c1 ZINC000261585511 135227184 /nfs/dbraw/zinc/22/71/84/135227184.db2.gz QMVJCYFCQVMRML-VWYCJHECSA-N 2 1 222.332 2.082 20 0 BEADMP C[C@@H]1CC[C@@]2(CC[N@@H+](CC(C)(C)[NH3+])C2)C1 ZINC000261589646 135229975 /nfs/dbraw/zinc/22/99/75/135229975.db2.gz UAABZOQFBFNGIW-DGCLKSJQSA-N 2 1 210.365 2.236 20 0 BEADMP CC[N@@H+](Cc1ccccc1C)C[C@@H](C)[NH3+] ZINC000261592836 135233583 /nfs/dbraw/zinc/23/35/83/135233583.db2.gz WEJGOKUSCINUIV-GFCCVEGCSA-N 2 1 206.333 2.164 20 0 BEADMP CC[N@H+](Cc1ccccc1C)C[C@@H](C)[NH3+] ZINC000261592836 135233584 /nfs/dbraw/zinc/23/35/84/135233584.db2.gz WEJGOKUSCINUIV-GFCCVEGCSA-N 2 1 206.333 2.164 20 0 BEADMP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1F ZINC000261594618 135234948 /nfs/dbraw/zinc/23/49/48/135234948.db2.gz ZZYYJMFJFWPQCV-ZFWWWQNUSA-N 2 1 248.345 2.318 20 0 BEADMP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1F ZINC000261594618 135234951 /nfs/dbraw/zinc/23/49/51/135234951.db2.gz ZZYYJMFJFWPQCV-ZFWWWQNUSA-N 2 1 248.345 2.318 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000261597506 135236580 /nfs/dbraw/zinc/23/65/80/135236580.db2.gz ZDOLFHVFOUEKDZ-VXGBXAGGSA-N 2 1 236.384 2.098 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000261547435 135240118 /nfs/dbraw/zinc/24/01/18/135240118.db2.gz IAFVTQCAASSGGK-GZBLMMOJSA-N 2 1 236.403 2.482 20 0 BEADMP CCC[N@@H+](C[C@H]1C[C@@H]1C)C1CC[NH2+]CC1 ZINC000261547316 135240190 /nfs/dbraw/zinc/24/01/90/135240190.db2.gz MCHPFPOSWMXQQB-NWDGAFQWSA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261548188 135241765 /nfs/dbraw/zinc/24/17/65/135241765.db2.gz NHHZWWZUPAFXHY-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP CC1(C)CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000084386041 135244736 /nfs/dbraw/zinc/24/47/36/135244736.db2.gz YDABRZQDFMNXKU-LBPRGKRZSA-N 2 1 210.365 2.108 20 0 BEADMP C[C@H]1CC2(CCC2)C[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261740110 135248845 /nfs/dbraw/zinc/24/88/45/135248845.db2.gz IHBACOPDXKTAJN-QWHCGFSZSA-N 2 1 222.376 2.251 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(N)c2)C1 ZINC000261748580 135250052 /nfs/dbraw/zinc/25/00/52/135250052.db2.gz VYYYQCKNYHUBMZ-CQSZACIVSA-N 2 1 247.386 2.042 20 0 BEADMP C[C@@]1(C[NH3+])CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000261815864 135255125 /nfs/dbraw/zinc/25/51/25/135255125.db2.gz PCMFQBMUHYHXNT-CABCVRRESA-N 2 1 248.345 2.484 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC(C)(C)C1 ZINC000261829518 135256541 /nfs/dbraw/zinc/25/65/41/135256541.db2.gz IXXVULRTIVWKPG-LBPRGKRZSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@]1(C[N@H+]2CCC[C@H]2C2CCC2)CC[NH2+]C1 ZINC000261866178 135258328 /nfs/dbraw/zinc/25/83/28/135258328.db2.gz NVPDWSBMSHJHAD-UONOGXRCSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@]1(C[N@H+]2CCC[C@@H]2C2CCC2)CC[NH2+]C1 ZINC000261866179 135258509 /nfs/dbraw/zinc/25/85/09/135258509.db2.gz NVPDWSBMSHJHAD-ZIAGYGMSSA-N 2 1 222.376 2.251 20 0 BEADMP CC[C@]1(C)CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261918606 135262550 /nfs/dbraw/zinc/26/25/50/135262550.db2.gz ZZFDMFIRTSZNFN-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP Cc1ccc2c(c1)C[N@H+](CC1CC[NH2+]CC1)C2 ZINC000261937964 135264067 /nfs/dbraw/zinc/26/40/67/135264067.db2.gz MHKRPMFQUZLEIX-UHFFFAOYSA-N 2 1 230.355 2.310 20 0 BEADMP C[C@H]1C[C@H]1C[N@H+](CC[NH3+])Cc1ccccc1 ZINC000261943960 135264942 /nfs/dbraw/zinc/26/49/42/135264942.db2.gz NDDYWENBQGVLOO-JSGCOSHPSA-N 2 1 218.344 2.103 20 0 BEADMP C[C@H]1C[C@H]1C[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000261943960 135264944 /nfs/dbraw/zinc/26/49/44/135264944.db2.gz NDDYWENBQGVLOO-JSGCOSHPSA-N 2 1 218.344 2.103 20 0 BEADMP C[C@H](C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000261953937 135265709 /nfs/dbraw/zinc/26/57/09/135265709.db2.gz GIIHAWNZOMSUQB-UHIISALHSA-N 2 1 236.334 2.208 20 0 BEADMP C[C@H](C[N@H+]1C[C@H](C)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000261953937 135265711 /nfs/dbraw/zinc/26/57/11/135265711.db2.gz GIIHAWNZOMSUQB-UHIISALHSA-N 2 1 236.334 2.208 20 0 BEADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000342410973 135265974 /nfs/dbraw/zinc/26/59/74/135265974.db2.gz FWRYPYRLNLMWOL-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000342410973 135265976 /nfs/dbraw/zinc/26/59/76/135265976.db2.gz FWRYPYRLNLMWOL-UONOGXRCSA-N 2 1 242.407 2.123 20 0 BEADMP CC[C@@H]1CCC[C@H](C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000261961713 135266961 /nfs/dbraw/zinc/26/69/61/135266961.db2.gz HJGBMLNDKDXVHO-CRWXNKLISA-N 2 1 224.392 2.482 20 0 BEADMP CC[N@@H+](C[C@H]1CCSC1)[C@@H]1CCC[NH2+]CC1 ZINC000261995538 135270645 /nfs/dbraw/zinc/27/06/45/135270645.db2.gz SULOQBLFOQKYPQ-CHWSQXEVSA-N 2 1 242.432 2.204 20 0 BEADMP CC(C)([NH3+])C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000261992489 135270726 /nfs/dbraw/zinc/27/07/26/135270726.db2.gz SMSQBZXOPOATGM-LBPRGKRZSA-N 2 1 236.334 2.352 20 0 BEADMP CC(C)([NH3+])C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000261992489 135270728 /nfs/dbraw/zinc/27/07/28/135270728.db2.gz SMSQBZXOPOATGM-LBPRGKRZSA-N 2 1 236.334 2.352 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC12CCC2 ZINC000262012353 135271959 /nfs/dbraw/zinc/27/19/59/135271959.db2.gz VEJYUCKSNDTXOY-ZIAGYGMSSA-N 2 1 236.403 2.498 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H](C)C1 ZINC000262018974 135273361 /nfs/dbraw/zinc/27/33/61/135273361.db2.gz MZAIOAJVQDWRDN-RDBSUJKOSA-N 2 1 224.392 2.354 20 0 BEADMP Cc1ccc2c(c1)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000262037018 135274682 /nfs/dbraw/zinc/27/46/82/135274682.db2.gz XUGBOMYIIJCDKI-CYBMUJFWSA-N 2 1 230.355 2.310 20 0 BEADMP Cc1ccc2c(c1)C[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000262037018 135274683 /nfs/dbraw/zinc/27/46/83/135274683.db2.gz XUGBOMYIIJCDKI-CYBMUJFWSA-N 2 1 230.355 2.310 20 0 BEADMP c1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H]1CC[NH2+]C1 ZINC000262115422 135279215 /nfs/dbraw/zinc/27/92/15/135279215.db2.gz MYNXBCWJKNZZFE-KGLIPLIRSA-N 2 1 230.355 2.058 20 0 BEADMP C[C@@H]1Cc2ccccc2C[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262118911 135279562 /nfs/dbraw/zinc/27/95/62/135279562.db2.gz XDZSNOYQAKZAKZ-CZUORRHYSA-N 2 1 244.382 2.433 20 0 BEADMP CC(C)(C)[C@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262110976 135279855 /nfs/dbraw/zinc/27/98/55/135279855.db2.gz WKHVMTRERXNDMK-OCCSQVGLSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262122204 135280662 /nfs/dbraw/zinc/28/06/62/135280662.db2.gz XJDGNGXMHKAPOG-KFWWJZLASA-N 2 1 236.403 2.498 20 0 BEADMP c1c[nH]c([C@@H]2CCC[N@H+](C[C@H]3CCCOC3)C2)n1 ZINC000334223893 135328858 /nfs/dbraw/zinc/32/88/58/135328858.db2.gz AESXHLSOSMVKKD-CHWSQXEVSA-N 2 1 249.358 2.016 20 0 BEADMP Cc1cccc(C2([NH2+]CC[NH3+])CCCC2)c1 ZINC000263047925 135329388 /nfs/dbraw/zinc/32/93/88/135329388.db2.gz UEXCJTCILRBTMQ-UHFFFAOYSA-N 2 1 218.344 2.313 20 0 BEADMP [NH3+]CC[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000263091785 135332099 /nfs/dbraw/zinc/33/20/99/135332099.db2.gz YMUBQVSDQRGXHL-UHFFFAOYSA-N 2 1 222.307 2.143 20 0 BEADMP CC(C)CCC[N@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000299893489 135381295 /nfs/dbraw/zinc/38/12/95/135381295.db2.gz LSVOEQRJLCTMPD-STQMWFEESA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)CCC[N@@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000299893489 135381297 /nfs/dbraw/zinc/38/12/97/135381297.db2.gz LSVOEQRJLCTMPD-STQMWFEESA-N 2 1 210.365 2.106 20 0 BEADMP CCC(CC)C[N@@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000299893312 135381403 /nfs/dbraw/zinc/38/14/03/135381403.db2.gz KBMZFPYRLFLGLF-STQMWFEESA-N 2 1 210.365 2.106 20 0 BEADMP CCC[C@H](C)C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000299894574 135381437 /nfs/dbraw/zinc/38/14/37/135381437.db2.gz XXZBUSFFINEQTL-XQQFMLRXSA-N 2 1 210.365 2.106 20 0 BEADMP Cc1ccccc1[C@@H]1CC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000334398795 135388210 /nfs/dbraw/zinc/38/82/10/135388210.db2.gz XKLOXGAIEJPTSH-QWHCGFSZSA-N 2 1 218.344 2.132 20 0 BEADMP Cc1ccccc1[C@@H]1CC[N@H+](C[C@H](C)[NH3+])C1 ZINC000334398795 135388212 /nfs/dbraw/zinc/38/82/12/135388212.db2.gz XKLOXGAIEJPTSH-QWHCGFSZSA-N 2 1 218.344 2.132 20 0 BEADMP C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1nccs1 ZINC000334404859 135393513 /nfs/dbraw/zinc/39/35/13/135393513.db2.gz HBJLATHWPZMGEK-RKDXNWHRSA-N 2 1 248.355 2.074 20 0 BEADMP C[C@@H](CF)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000308983745 135433158 /nfs/dbraw/zinc/43/31/58/135433158.db2.gz IZSNIMUIDJBRDL-JTQLQIEISA-N 2 1 216.344 2.197 20 0 BEADMP C[C@]1(C[N@H+]2CCC[C@H]3CCC[C@@H]32)CC[NH2+]C1 ZINC000083701577 135455728 /nfs/dbraw/zinc/45/57/28/135455728.db2.gz OQVPWCOLWYBJOC-RDBSUJKOSA-N 2 1 222.376 2.251 20 0 BEADMP Cc1c[nH+]ccc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000334548589 135690698 /nfs/dbraw/zinc/69/06/98/135690698.db2.gz HKZVVRRKGUMTHO-GFCCVEGCSA-N 2 1 242.326 2.497 20 0 BEADMP Cc1ccccc1CCC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000346079142 135913437 /nfs/dbraw/zinc/91/34/37/135913437.db2.gz CQOVEWRXLGWUNH-HNNXBMFYSA-N 2 1 232.371 2.351 20 0 BEADMP Cc1ccccc1CCC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000346079142 135913438 /nfs/dbraw/zinc/91/34/38/135913438.db2.gz CQOVEWRXLGWUNH-HNNXBMFYSA-N 2 1 232.371 2.351 20 0 BEADMP CC(C)C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000335312709 136030449 /nfs/dbraw/zinc/03/04/49/136030449.db2.gz FGCAWORTECJLEN-QWHCGFSZSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000335312709 136030450 /nfs/dbraw/zinc/03/04/50/136030450.db2.gz FGCAWORTECJLEN-QWHCGFSZSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000335312709 136030451 /nfs/dbraw/zinc/03/04/51/136030451.db2.gz FGCAWORTECJLEN-QWHCGFSZSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000335312708 136030655 /nfs/dbraw/zinc/03/06/55/136030655.db2.gz FGCAWORTECJLEN-OLZOCXBDSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000335312708 136030656 /nfs/dbraw/zinc/03/06/56/136030656.db2.gz FGCAWORTECJLEN-OLZOCXBDSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000335312708 136030657 /nfs/dbraw/zinc/03/06/57/136030657.db2.gz FGCAWORTECJLEN-OLZOCXBDSA-N 2 1 210.365 2.059 20 0 BEADMP C1CC1[C@H]1CC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000348072347 136033496 /nfs/dbraw/zinc/03/34/96/136033496.db2.gz AOQNAWVRKNEHMN-HUUCEWRRSA-N 2 1 234.387 2.391 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000335336880 136044353 /nfs/dbraw/zinc/04/43/53/136044353.db2.gz VNOOMWHPTMTKEF-OLZOCXBDSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1CCCC[C@@H]1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000335336881 136044424 /nfs/dbraw/zinc/04/44/24/136044424.db2.gz VNOOMWHPTMTKEF-QWHCGFSZSA-N 2 1 224.392 2.497 20 0 BEADMP FCC1(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000335390881 136090492 /nfs/dbraw/zinc/09/04/92/136090492.db2.gz BOQYVCUELXUPTA-VXGBXAGGSA-N 2 1 226.339 2.095 20 0 BEADMP FCC1([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000335390881 136090493 /nfs/dbraw/zinc/09/04/93/136090493.db2.gz BOQYVCUELXUPTA-VXGBXAGGSA-N 2 1 226.339 2.095 20 0 BEADMP FCC1([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000335390881 136090494 /nfs/dbraw/zinc/09/04/94/136090494.db2.gz BOQYVCUELXUPTA-VXGBXAGGSA-N 2 1 226.339 2.095 20 0 BEADMP Cc1ccc(CCC[N@H+](C)[C@H]2CCC[C@H]2O)cn1 ZINC000348555561 136096782 /nfs/dbraw/zinc/09/67/82/136096782.db2.gz NTOFFSZYHYZUQL-LSDHHAIUSA-N 2 1 248.370 2.168 20 0 BEADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1C ZINC000335594025 136104201 /nfs/dbraw/zinc/10/42/01/136104201.db2.gz GFCZVFCWGHMBRO-NNQSOWQGSA-N 2 1 245.370 2.071 20 0 BEADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CC[NH3+] ZINC000335563631 136106924 /nfs/dbraw/zinc/10/69/24/136106924.db2.gz GSRLYANSNMMYEA-AWEZNQCLSA-N 2 1 243.354 2.402 20 0 BEADMP [NH3+]CC[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000335566398 136107758 /nfs/dbraw/zinc/10/77/58/136107758.db2.gz UDJYVALRWMZLPI-GFCCVEGCSA-N 2 1 224.735 2.266 20 0 BEADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cc(F)cc(F)c1 ZINC000335566248 136107941 /nfs/dbraw/zinc/10/79/41/136107941.db2.gz DYXCXWVPZMUATO-VIFPVBQESA-N 2 1 240.297 2.367 20 0 BEADMP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC(C)(C)[NH3+] ZINC000335599114 136113992 /nfs/dbraw/zinc/11/39/92/136113992.db2.gz NPEJAXLZCYUHOC-ZANVPECISA-N 2 1 236.334 2.386 20 0 BEADMP Cc1nc2c(s1)[C@@H]([NH2+]CC(C)(C)[NH3+])CCC2 ZINC000335599317 136114115 /nfs/dbraw/zinc/11/41/15/136114115.db2.gz PMXJYZDEKMJBAS-VIFPVBQESA-N 2 1 239.388 2.156 20 0 BEADMP CCc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)nc(C)[nH+]1 ZINC000382521979 397954055 /nfs/dbraw/zinc/95/40/55/397954055.db2.gz UCURXAQYTSDPKJ-ZYHUDNBSSA-N 2 1 234.347 2.029 20 0 BEADMP C[C@H]1CCC[C@H](CC[N@@H+](C)CCC[NH3+])C1 ZINC000390477606 397891197 /nfs/dbraw/zinc/89/11/97/397891197.db2.gz LJEXWSGWVJYGOE-QWHCGFSZSA-N 2 1 212.381 2.483 20 0 BEADMP CC(C)C[C@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000355693239 397918122 /nfs/dbraw/zinc/91/81/22/397918122.db2.gz VBYXETRAMKOWCI-QWHCGFSZSA-N 2 1 212.381 2.305 20 0 BEADMP Cc1ccccc1C[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414817069 398044433 /nfs/dbraw/zinc/04/44/33/398044433.db2.gz ZAQGXJZABVVAMW-IUODEOHRSA-N 2 1 232.371 2.253 20 0 BEADMP COc1cccc([C@@H]2CCC[N@H+]2CCC[NH3+])c1 ZINC000414676912 398015959 /nfs/dbraw/zinc/01/59/59/398015959.db2.gz IEHATUYDDRQZQE-AWEZNQCLSA-N 2 1 234.343 2.181 20 0 BEADMP CCc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000234157748 398023541 /nfs/dbraw/zinc/02/35/41/398023541.db2.gz NMSLLMBMAWXMKV-HNNXBMFYSA-N 2 1 232.371 2.420 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000038076856 397973648 /nfs/dbraw/zinc/97/36/48/397973648.db2.gz DKLFHWFQAIVQTC-AWEZNQCLSA-N 2 1 232.371 2.474 20 0 BEADMP CC[NH2+]CC[NH2+]C[C@H]1CCC[C@@H](CC)C1 ZINC000414829860 398051517 /nfs/dbraw/zinc/05/15/17/398051517.db2.gz NIIDKYNDRPNDMN-OLZOCXBDSA-N 2 1 212.381 2.402 20 0 BEADMP CCC(CC)(CC)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000383923122 398052600 /nfs/dbraw/zinc/05/26/00/398052600.db2.gz DEKYVQSOYWXSTI-CYBMUJFWSA-N 2 1 244.423 2.246 20 0 BEADMP CC(C)[C@@H](C[NH2+][C@H](C)C[NH3+])c1ccccc1 ZINC000414924484 398101146 /nfs/dbraw/zinc/10/11/46/398101146.db2.gz HFSYKYHUUMLCDT-TZMCWYRMSA-N 2 1 220.360 2.363 20 0 BEADMP CC[C@H]1C[N@@H+](CC2(C)CCC2)CC[C@@H]1[NH3+] ZINC000389693481 398125436 /nfs/dbraw/zinc/12/54/36/398125436.db2.gz IFOAPNIPAXYCBQ-RYUDHWBXSA-N 2 1 210.365 2.236 20 0 BEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000258839818 398131612 /nfs/dbraw/zinc/13/16/12/398131612.db2.gz DQXSLOCYGNMMBT-NWDGAFQWSA-N 2 1 242.725 2.449 20 0 BEADMP C([C@@H]1CCC[NH2+]1)[NH+]1CCC2(CCCC2)CC1 ZINC000062954123 1172793729 /nfs/dbraw/zinc/79/37/29/1172793729.db2.gz HRTGNRBKDJOKOW-ZDUSSCGKSA-N 2 1 222.376 2.395 20 0 BEADMP C[NH2+]CCC[N@H+]1CCCC[C@@H]1CC(C)C ZINC000336709860 173347461 /nfs/dbraw/zinc/34/74/61/173347461.db2.gz RJCYTJNUVDBYIC-CYBMUJFWSA-N 2 1 212.381 2.497 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CS1 ZINC000086935006 487591820 /nfs/dbraw/zinc/59/18/20/487591820.db2.gz CUGZNQJZDZAWFE-YVECIDJPSA-N 2 1 240.416 2.097 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CS1 ZINC000086935006 487591823 /nfs/dbraw/zinc/59/18/23/487591823.db2.gz CUGZNQJZDZAWFE-YVECIDJPSA-N 2 1 240.416 2.097 20 0 BEADMP CC1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC001651698334 1172976473 /nfs/dbraw/zinc/97/64/73/1172976473.db2.gz VIELEPHZLKWKGJ-NNVWEFMASA-N 2 1 236.403 2.495 20 0 BEADMP Cc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001651697439 1172977951 /nfs/dbraw/zinc/97/79/51/1172977951.db2.gz AACROSYEHBDTJL-HRCADAONSA-N 2 1 244.382 2.425 20 0 BEADMP CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000308965245 487601953 /nfs/dbraw/zinc/60/19/53/487601953.db2.gz LYJNKKINJOAFMZ-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP COCC[C@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000531780035 487602330 /nfs/dbraw/zinc/60/23/30/487602330.db2.gz ZEBCUCWWHIPQQA-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP COCC[C@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000531780035 487602334 /nfs/dbraw/zinc/60/23/34/487602334.db2.gz ZEBCUCWWHIPQQA-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP COCC[C@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000531780035 487602335 /nfs/dbraw/zinc/60/23/35/487602335.db2.gz ZEBCUCWWHIPQQA-UONOGXRCSA-N 2 1 242.407 2.218 20 0 BEADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](C3CC3)C2)CC1 ZINC001651862627 1172996210 /nfs/dbraw/zinc/99/62/10/1172996210.db2.gz LCKHSBVJOQYORZ-HNNXBMFYSA-N 2 1 236.403 2.450 20 0 BEADMP CC(C)SCC[NH+]1CCC([NH+](C)C)CC1 ZINC000336676297 167323977 /nfs/dbraw/zinc/32/39/77/167323977.db2.gz HNWZUQGVRFRLLA-UHFFFAOYSA-N 2 1 230.421 2.154 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC3CC=CC3)C[C@@H]21 ZINC000662265074 409560227 /nfs/dbraw/zinc/56/02/27/409560227.db2.gz FUCICWBUZLRUSN-MELADBBJSA-N 2 1 220.360 2.012 20 0 BEADMP CC[C@@H](CC(F)F)C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000662242725 409532099 /nfs/dbraw/zinc/53/20/99/409532099.db2.gz HKFVBMQLXZUCOW-QWRGUYRKSA-N 2 1 234.334 2.481 20 0 BEADMP CC[C@@H](CC(F)F)C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000662242725 409532104 /nfs/dbraw/zinc/53/21/04/409532104.db2.gz HKFVBMQLXZUCOW-QWRGUYRKSA-N 2 1 234.334 2.481 20 0 BEADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662318400 409636806 /nfs/dbraw/zinc/63/68/06/409636806.db2.gz ZQUHWOWGAVSRIQ-UKRRQHHQSA-N 2 1 236.403 2.498 20 0 BEADMP CO[C@@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)C1CCCC1 ZINC000662277284 409590869 /nfs/dbraw/zinc/59/08/69/409590869.db2.gz PEJVNZFPMCMMCW-QWHCGFSZSA-N 2 1 242.407 2.155 20 0 BEADMP CC(C)=CCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000662276401 409591572 /nfs/dbraw/zinc/59/15/72/409591572.db2.gz MDILOWNOJWREKG-QWHCGFSZSA-N 2 1 208.349 2.027 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000662276401 409591578 /nfs/dbraw/zinc/59/15/78/409591578.db2.gz MDILOWNOJWREKG-QWHCGFSZSA-N 2 1 208.349 2.027 20 0 BEADMP CC(C)=CCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000662282666 409608103 /nfs/dbraw/zinc/60/81/03/409608103.db2.gz PRRMRGUIPJKGAF-STQMWFEESA-N 2 1 210.365 2.259 20 0 BEADMP CC(C)c1ccc(CC[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000259123544 409732117 /nfs/dbraw/zinc/73/21/17/409732117.db2.gz TXKWPWOPMMJDJN-OAHLLOKOSA-N 2 1 232.371 2.304 20 0 BEADMP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1cccc2c1CCC2 ZINC000650702566 410332678 /nfs/dbraw/zinc/33/26/78/410332678.db2.gz LDKYHWJPUUKFLR-OAHLLOKOSA-N 2 1 244.382 2.489 20 0 BEADMP [NH3+]C[C@H]1CCCC[N@H+]1Cc1cccc2c1CCC2 ZINC000650702566 410332682 /nfs/dbraw/zinc/33/26/82/410332682.db2.gz LDKYHWJPUUKFLR-OAHLLOKOSA-N 2 1 244.382 2.489 20 0 BEADMP CC[C@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccccc1F ZINC000650742696 410377770 /nfs/dbraw/zinc/37/77/70/410377770.db2.gz BUQFSZJFXZTARB-YGRLFVJLSA-N 2 1 236.334 2.474 20 0 BEADMP CC(C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000125868283 167099333 /nfs/dbraw/zinc/09/93/33/167099333.db2.gz JMWFMZLEITYAJX-UHFFFAOYSA-N 2 1 240.391 2.020 20 0 BEADMP CC(C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000037618941 167102301 /nfs/dbraw/zinc/10/23/01/167102301.db2.gz WDIFEEZKJCKQDO-UHFFFAOYSA-N 2 1 232.371 2.433 20 0 BEADMP CC(C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000037618941 167102304 /nfs/dbraw/zinc/10/23/04/167102304.db2.gz WDIFEEZKJCKQDO-UHFFFAOYSA-N 2 1 232.371 2.433 20 0 BEADMP CC(C)C[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000396981340 410908941 /nfs/dbraw/zinc/90/89/41/410908941.db2.gz UKGKWMKVRJBXAG-QWHCGFSZSA-N 2 1 210.365 2.106 20 0 BEADMP CC(C)OCCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365402016 167211191 /nfs/dbraw/zinc/21/11/91/167211191.db2.gz IJHXWXXPGJHLTB-CQSZACIVSA-N 2 1 242.407 2.218 20 0 BEADMP CC(C)OCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000160037848 167246255 /nfs/dbraw/zinc/24/62/55/167246255.db2.gz SVGFDUBGYMKNFK-KBPBESRZSA-N 2 1 234.343 2.146 20 0 BEADMP CC(C)Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC000032022212 167310180 /nfs/dbraw/zinc/31/01/80/167310180.db2.gz QJYSNTCLOFHHBV-UHFFFAOYSA-N 2 1 248.370 2.397 20 0 BEADMP CC(C)[C@@H](C[NH2+][C@@H]1CCSC1)[NH+]1CCCC1 ZINC000020200593 167398382 /nfs/dbraw/zinc/39/83/82/167398382.db2.gz LLPCZQUXFXNPDO-CHWSQXEVSA-N 2 1 242.432 2.202 20 0 BEADMP Cc1ncccc1C[NH2+]CCC[N@@H+](C)CC(C)C ZINC000651866164 411147831 /nfs/dbraw/zinc/14/78/31/411147831.db2.gz XIUJJYWGJDZTIU-UHFFFAOYSA-N 2 1 249.402 2.458 20 0 BEADMP Cc1ncccc1C[NH2+]CCC[N@H+](C)CC(C)C ZINC000651866164 411147832 /nfs/dbraw/zinc/14/78/32/411147832.db2.gz XIUJJYWGJDZTIU-UHFFFAOYSA-N 2 1 249.402 2.458 20 0 BEADMP CC(C)C[N@H+](C)CCC[NH2+]CC1(F)CC1 ZINC000651866051 411148000 /nfs/dbraw/zinc/14/80/00/411148000.db2.gz RYCUOPMDKIPYMC-UHFFFAOYSA-N 2 1 216.344 2.056 20 0 BEADMP CC(C)C[N@@H+](C)CCC[NH2+]CC1(F)CC1 ZINC000651866051 411148001 /nfs/dbraw/zinc/14/80/01/411148001.db2.gz RYCUOPMDKIPYMC-UHFFFAOYSA-N 2 1 216.344 2.056 20 0 BEADMP CC(C)CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000109279759 411149911 /nfs/dbraw/zinc/14/99/11/411149911.db2.gz PKVUPVBJRDBEKP-CYBMUJFWSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC2CC=CC2)C1 ZINC000659989852 411158097 /nfs/dbraw/zinc/15/80/97/411158097.db2.gz UYRFLLUYSIKYGV-CQSZACIVSA-N 2 1 222.376 2.226 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](CC2CC=CC2)C1 ZINC000659989852 411158100 /nfs/dbraw/zinc/15/81/00/411158100.db2.gz UYRFLLUYSIKYGV-CQSZACIVSA-N 2 1 222.376 2.226 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC2CC=CC2)C1 ZINC000659989852 411158103 /nfs/dbraw/zinc/15/81/03/411158103.db2.gz UYRFLLUYSIKYGV-CQSZACIVSA-N 2 1 222.376 2.226 20 0 BEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)CC[C@H]21 ZINC000660012296 411173835 /nfs/dbraw/zinc/17/38/35/411173835.db2.gz SQHRIZRNLLIPMM-IBEHDNSVSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)CC[C@H]21 ZINC000660012296 411173838 /nfs/dbraw/zinc/17/38/38/411173838.db2.gz SQHRIZRNLLIPMM-IBEHDNSVSA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)CC[C@H]21 ZINC000660012296 411173841 /nfs/dbraw/zinc/17/38/41/411173841.db2.gz SQHRIZRNLLIPMM-IBEHDNSVSA-N 2 1 248.414 2.449 20 0 BEADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000217729756 411177572 /nfs/dbraw/zinc/17/75/72/411177572.db2.gz VUMSLKQTONTXIX-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000217729756 411177575 /nfs/dbraw/zinc/17/75/75/411177575.db2.gz VUMSLKQTONTXIX-KBPBESRZSA-N 2 1 242.407 2.266 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)c1ccccn1 ZINC000123689671 411182411 /nfs/dbraw/zinc/18/24/11/411182411.db2.gz OKXPYBGSJHJLGU-STQMWFEESA-N 2 1 235.375 2.448 20 0 BEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000123689671 411182413 /nfs/dbraw/zinc/18/24/13/411182413.db2.gz OKXPYBGSJHJLGU-STQMWFEESA-N 2 1 235.375 2.448 20 0 BEADMP CCC(CC)[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000310035435 411194148 /nfs/dbraw/zinc/19/41/48/411194148.db2.gz TYJGDFKUSZDNHQ-LLVKDONJSA-N 2 1 210.365 2.249 20 0 BEADMP COC[C@H](CC(C)(C)C)[NH2+]CC[NH2+]C(C)(C)C ZINC000656193870 411199531 /nfs/dbraw/zinc/19/95/31/411199531.db2.gz WLAZYNKPWRPFOA-LBPRGKRZSA-N 2 1 244.423 2.415 20 0 BEADMP COc1c(C)cccc1C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000656201312 411206200 /nfs/dbraw/zinc/20/62/00/411206200.db2.gz VGRQSIDQNNCPRC-STQMWFEESA-N 2 1 248.370 2.091 20 0 BEADMP C[N@@H+](CCOC(C)(C)C)CC[C@H]1CCC[NH2+]C1 ZINC000652343745 411208054 /nfs/dbraw/zinc/20/80/54/411208054.db2.gz RMDVGQGBGUWJTF-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP CCCC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346353 411209010 /nfs/dbraw/zinc/20/90/10/411209010.db2.gz ZOZVRFAJZHSLEW-MELADBBJSA-N 2 1 240.391 2.005 20 0 BEADMP CCc1nc(NC[C@H]2C[C@@H]([NH+](C)C)C2)cc(C)[nH+]1 ZINC000656211457 411210380 /nfs/dbraw/zinc/21/03/80/411210380.db2.gz DWSDPQKFKIGRCH-TXEJJXNPSA-N 2 1 248.374 2.100 20 0 BEADMP CC[C@H](C)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349533 411210945 /nfs/dbraw/zinc/21/09/45/411210945.db2.gz ROOFPXFKPUEHRV-XUXIUFHCSA-N 2 1 240.391 2.003 20 0 BEADMP CC[C@H](C)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349531 411211039 /nfs/dbraw/zinc/21/10/39/411211039.db2.gz ROOFPXFKPUEHRV-IGQOVBAYSA-N 2 1 240.391 2.003 20 0 BEADMP CC(C)OCCC[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652355010 411214465 /nfs/dbraw/zinc/21/44/65/411214465.db2.gz MRFVCJVZZFABEV-KBPBESRZSA-N 2 1 242.407 2.251 20 0 BEADMP CC(C)OCCC[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652355011 411214963 /nfs/dbraw/zinc/21/49/63/411214963.db2.gz MRFVCJVZZFABEV-KGLIPLIRSA-N 2 1 242.407 2.251 20 0 BEADMP Cc1c[nH+]ccc1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656226291 411215164 /nfs/dbraw/zinc/21/51/64/411215164.db2.gz LPYMHMQMSGUQNE-GJZGRUSLSA-N 2 1 245.370 2.241 20 0 BEADMP CC[C@@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)[C@@H]1CCOC1 ZINC000572413946 411230313 /nfs/dbraw/zinc/23/03/13/411230313.db2.gz AJENJELJLLXGHH-MGPQQGTHSA-N 2 1 242.407 2.120 20 0 BEADMP CC[C@@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)[C@@H]1CCOC1 ZINC000572413946 411230314 /nfs/dbraw/zinc/23/03/14/411230314.db2.gz AJENJELJLLXGHH-MGPQQGTHSA-N 2 1 242.407 2.120 20 0 BEADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000396727500 411240408 /nfs/dbraw/zinc/24/04/08/411240408.db2.gz WXXBJANRIDGYFV-MROQNXINSA-N 2 1 210.365 2.295 20 0 BEADMP C[C@H]([NH3+])[C@H]1C[N@H+](CCC2CCCCC2)CCO1 ZINC000123799319 411167402 /nfs/dbraw/zinc/16/74/02/411167402.db2.gz UPFVUDPQJKPSAJ-GXTWGEPZSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CCC2CCCCC2)CCO1 ZINC000123799319 411167404 /nfs/dbraw/zinc/16/74/04/411167404.db2.gz UPFVUDPQJKPSAJ-GXTWGEPZSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CS1 ZINC000655715863 411268885 /nfs/dbraw/zinc/26/88/85/411268885.db2.gz PHJKFAAHRRHKJY-LPWJVIDDSA-N 2 1 242.432 2.343 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CS1 ZINC000655715863 411268889 /nfs/dbraw/zinc/26/88/89/411268889.db2.gz PHJKFAAHRRHKJY-LPWJVIDDSA-N 2 1 242.432 2.343 20 0 BEADMP C[N@@H+](C[C@H]1CC[NH2+]C1)CC1CCCCC1 ZINC000051889668 411285903 /nfs/dbraw/zinc/28/59/03/411285903.db2.gz OTRFTXIJRNRZPT-ZDUSSCGKSA-N 2 1 210.365 2.108 20 0 BEADMP c1csc(C[N@H+](C[C@H]2CC[NH2+]C2)C2CC2)c1 ZINC000051890052 411285934 /nfs/dbraw/zinc/28/59/34/411285934.db2.gz ZCGUHTVAPDNOIP-NSHDSACASA-N 2 1 236.384 2.322 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@]2(C)CC2(C)C)CC[N@@H+]1C ZINC000658305846 411328888 /nfs/dbraw/zinc/32/88/88/411328888.db2.gz BHPDVGMIOFUWKA-MDZLAQPJSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@]2(C)CC2(C)C)CC[N@H+]1C ZINC000658305846 411328891 /nfs/dbraw/zinc/32/88/91/411328891.db2.gz BHPDVGMIOFUWKA-MDZLAQPJSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC2(F)F)CC[N@H+]1C ZINC000658218631 411298326 /nfs/dbraw/zinc/29/83/26/411298326.db2.gz KJLQNQYKDFGRCZ-GMTAPVOTSA-N 2 1 232.318 2.104 20 0 BEADMP CC(C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000070584452 411318269 /nfs/dbraw/zinc/31/82/69/411318269.db2.gz ZCMAQWDHZVZONJ-GFCCVEGCSA-N 2 1 210.365 2.391 20 0 BEADMP CC(C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000070584452 411318270 /nfs/dbraw/zinc/31/82/70/411318270.db2.gz ZCMAQWDHZVZONJ-GFCCVEGCSA-N 2 1 210.365 2.391 20 0 BEADMP C[C@@H](c1ccccn1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402865055 411319578 /nfs/dbraw/zinc/31/95/78/411319578.db2.gz HORZNFLBPSRGMN-YDHLFZDLSA-N 2 1 245.370 2.203 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2=CCCC2)[C@@H](C)C1 ZINC000658292655 411325898 /nfs/dbraw/zinc/32/58/98/411325898.db2.gz FSUIYMCXJKBWPT-GXTWGEPZSA-N 2 1 222.376 2.417 20 0 BEADMP FC1(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000656782550 411359720 /nfs/dbraw/zinc/35/97/20/411359720.db2.gz HKGKKZPZPDNPCO-ZDUSSCGKSA-N 2 1 240.366 2.200 20 0 BEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(N)c2)[C@H](C)C1 ZINC000656785303 411359730 /nfs/dbraw/zinc/35/97/30/411359730.db2.gz NCSWBHUFVCBKCT-IUODEOHRSA-N 2 1 247.386 2.089 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(N)c2)[C@@H](C)C1 ZINC000656785308 411360489 /nfs/dbraw/zinc/36/04/89/411360489.db2.gz NCSWBHUFVCBKCT-WFASDCNBSA-N 2 1 247.386 2.089 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@@H+](C)CC(C)(C)N)C1 ZINC000656784637 411360857 /nfs/dbraw/zinc/36/08/57/411360857.db2.gz GHOTVCTVGXDPQS-NEPJUHHUSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H]1CCC[C@H](CN(C)CC(C)(C)[NH3+])C1 ZINC000656784637 411360861 /nfs/dbraw/zinc/36/08/61/411360861.db2.gz GHOTVCTVGXDPQS-NEPJUHHUSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@H](c1ccncc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125348709 411364219 /nfs/dbraw/zinc/36/42/19/411364219.db2.gz QMCRWCQNUWMDCQ-BEAPCOKYSA-N 2 1 245.370 2.202 20 0 BEADMP [NH3+]C1(C[NH2+]Cc2ccc(F)c(F)c2)CCCC1 ZINC000656788327 411367990 /nfs/dbraw/zinc/36/79/90/411367990.db2.gz JSVABUYBIXGYTI-UHFFFAOYSA-N 2 1 240.297 2.326 20 0 BEADMP CCOc1cccc(C[NH2+]CC2([NH3+])CCCC2)c1 ZINC000656788156 411368243 /nfs/dbraw/zinc/36/82/43/411368243.db2.gz FPCLIILMTFPQAL-UHFFFAOYSA-N 2 1 248.370 2.446 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](CCF)C2)CC[NH2+]1 ZINC000656790832 411370039 /nfs/dbraw/zinc/37/00/39/411370039.db2.gz BITBVESPENEHOB-MCIONIFRSA-N 2 1 242.382 2.446 20 0 BEADMP [NH3+]CCC[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000656790635 411371140 /nfs/dbraw/zinc/37/11/40/411371140.db2.gz FQLXAUVCVXEVES-ZDUSSCGKSA-N 2 1 210.365 2.237 20 0 BEADMP FCC[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000656791805 411371663 /nfs/dbraw/zinc/37/16/63/411371663.db2.gz KHGRUQIYHTUUFF-GFCCVEGCSA-N 2 1 228.355 2.058 20 0 BEADMP C[C@@H](Cc1cccs1)[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000401808955 411334564 /nfs/dbraw/zinc/33/45/64/411334564.db2.gz RYLKKWLABHZIIP-SDDRHHMPSA-N 2 1 238.400 2.267 20 0 BEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000661975813 411342467 /nfs/dbraw/zinc/34/24/67/411342467.db2.gz STSGPHTUINADRB-MGPQQGTHSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661975813 411342469 /nfs/dbraw/zinc/34/24/69/411342469.db2.gz STSGPHTUINADRB-MGPQQGTHSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661975813 411342473 /nfs/dbraw/zinc/34/24/73/411342473.db2.gz STSGPHTUINADRB-MGPQQGTHSA-N 2 1 222.376 2.203 20 0 BEADMP CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000300359373 168045305 /nfs/dbraw/zinc/04/53/05/168045305.db2.gz OVMULWGSSVCFKN-NEPJUHHUSA-N 2 1 208.349 2.003 20 0 BEADMP CC1CCC(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000063145741 168154037 /nfs/dbraw/zinc/15/40/37/168154037.db2.gz MKTSOJLVKAKZHW-FKZOYECMSA-N 2 1 224.392 2.482 20 0 BEADMP CCC(C)(C)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357075964 168276064 /nfs/dbraw/zinc/27/60/64/168276064.db2.gz JNKMEHOBIWIRMS-CHWSQXEVSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1CCC[N@@H+](CCc2cccnc2)[C@H]1CC[NH3+] ZINC000404278377 411387490 /nfs/dbraw/zinc/38/74/90/411387490.db2.gz CFKZIHIIIGFBKE-HIFRSBDPSA-N 2 1 247.386 2.073 20 0 BEADMP C[C@@H]1CCC[N@@H+](Cc2ccncc2)[C@H]1CC[NH3+] ZINC000404275700 411387507 /nfs/dbraw/zinc/38/75/07/411387507.db2.gz APSIPQYDZYADKL-OCCSQVGLSA-N 2 1 233.359 2.031 20 0 BEADMP C[C@@H]1CCC[N@@H+](Cc2ccncc2)[C@@H]1CC[NH3+] ZINC000404275701 411387740 /nfs/dbraw/zinc/38/77/40/411387740.db2.gz APSIPQYDZYADKL-TZMCWYRMSA-N 2 1 233.359 2.031 20 0 BEADMP CC(C)COCC[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404406128 411394133 /nfs/dbraw/zinc/39/41/33/411394133.db2.gz UZLWCNFQDNEXNM-KGLIPLIRSA-N 2 1 242.407 2.108 20 0 BEADMP Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])nc1 ZINC000404407991 411394293 /nfs/dbraw/zinc/39/42/93/411394293.db2.gz AZRWPCPQFPQRID-ZFWWWQNUSA-N 2 1 247.386 2.339 20 0 BEADMP Cc1ccncc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404410476 411395617 /nfs/dbraw/zinc/39/56/17/411395617.db2.gz CESGPANJFKOMOZ-HIFRSBDPSA-N 2 1 247.386 2.339 20 0 BEADMP Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cn1 ZINC000404431441 411396149 /nfs/dbraw/zinc/39/61/49/411396149.db2.gz OTYRJTZEUWDYRR-DOMZBBRYSA-N 2 1 247.386 2.339 20 0 BEADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(C)C ZINC000051918974 169873038 /nfs/dbraw/zinc/87/30/38/169873038.db2.gz LAXQYNPOHZWJJC-ZDUSSCGKSA-N 2 1 212.381 2.354 20 0 BEADMP Cc1cc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)nc(C)[nH+]1 ZINC000267250877 411420316 /nfs/dbraw/zinc/42/03/16/411420316.db2.gz IJRNUCWREJCUOT-OLZOCXBDSA-N 2 1 248.374 2.378 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000305960117 411428385 /nfs/dbraw/zinc/42/83/85/411428385.db2.gz IPEYSRGBDWKFGD-LLVKDONJSA-N 2 1 246.345 2.496 20 0 BEADMP C[C@@H]1C[C@@H](C[N@@H+](C)C(C2CC2)C2CC2)CC[NH2+]1 ZINC000414689750 411439896 /nfs/dbraw/zinc/43/98/96/411439896.db2.gz GVFHWZLLHGMGDN-NEPJUHHUSA-N 2 1 236.403 2.495 20 0 BEADMP Cc1csc(C2([NH2+]CCC[NH3+])CCCC2)n1 ZINC000414707620 411440402 /nfs/dbraw/zinc/44/04/02/411440402.db2.gz MWJBEDINTDRNSU-UHFFFAOYSA-N 2 1 239.388 2.159 20 0 BEADMP CC[NH2+]CC[NH2+][C@H](C)CCc1ccsc1 ZINC000414822881 411447954 /nfs/dbraw/zinc/44/79/54/411447954.db2.gz HKMGFZDSYXBMFV-LLVKDONJSA-N 2 1 226.389 2.268 20 0 BEADMP CC[NH2+]CC[NH2+][C@@H](C)CCc1ccsc1 ZINC000414822883 411448728 /nfs/dbraw/zinc/44/87/28/411448728.db2.gz HKMGFZDSYXBMFV-NSHDSACASA-N 2 1 226.389 2.268 20 0 BEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccccc1Cl ZINC000414831381 411449448 /nfs/dbraw/zinc/44/94/48/411449448.db2.gz DBOFOYZGNQYAQT-SNVBAGLBSA-N 2 1 226.751 2.285 20 0 BEADMP C([C@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1)[NH+]1CCCC1 ZINC000659949029 411508498 /nfs/dbraw/zinc/50/84/98/411508498.db2.gz UDPRPRAZKXFNKQ-LVQVYYBASA-N 2 1 248.414 2.450 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000037644096 170008283 /nfs/dbraw/zinc/00/82/83/170008283.db2.gz DBVQTCPPJBSYMT-STQMWFEESA-N 2 1 248.370 2.385 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCC(C)CC2)C1 ZINC000037484173 170008328 /nfs/dbraw/zinc/00/83/28/170008328.db2.gz PITVDHRDZDCJRZ-MOKVOYLWSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2occc2C)C1 ZINC000126684888 170008733 /nfs/dbraw/zinc/00/87/33/170008733.db2.gz UGXBBNQWWBFSIU-LBPRGKRZSA-N 2 1 222.332 2.019 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2occc2C)C1 ZINC000126684888 170008734 /nfs/dbraw/zinc/00/87/34/170008734.db2.gz UGXBBNQWWBFSIU-LBPRGKRZSA-N 2 1 222.332 2.019 20 0 BEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCSC)C[C@H]1C ZINC000336652067 170009621 /nfs/dbraw/zinc/00/96/21/170009621.db2.gz WGKPKGOZMWTXRM-VXGBXAGGSA-N 2 1 230.421 2.154 20 0 BEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCSC)C[C@H]1C ZINC000336652067 170009622 /nfs/dbraw/zinc/00/96/22/170009622.db2.gz WGKPKGOZMWTXRM-VXGBXAGGSA-N 2 1 230.421 2.154 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)cc2)C1 ZINC000037643745 170015836 /nfs/dbraw/zinc/01/58/36/170015836.db2.gz HFYVBKZQCLMAQM-CQSZACIVSA-N 2 1 248.370 2.127 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000224996949 170015916 /nfs/dbraw/zinc/01/59/16/170015916.db2.gz MHZUPRZVHCWLDL-ZIAGYGMSSA-N 2 1 222.376 2.274 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC23CCC3)C1 ZINC000309953721 170016263 /nfs/dbraw/zinc/01/62/63/170016263.db2.gz HIKPEQRBDDCSHZ-OLZOCXBDSA-N 2 1 222.376 2.251 20 0 BEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C)C1 ZINC000037484182 170016699 /nfs/dbraw/zinc/01/66/99/170016699.db2.gz SHRLFQISWGSLBP-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C2CC(F)(F)C2)[C@@H](C)C1 ZINC000309676851 170020518 /nfs/dbraw/zinc/02/05/18/170020518.db2.gz YBGGHOUPZHIMMU-ONGXEEELSA-N 2 1 232.318 2.104 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC2(C)C)[C@H](C)C1 ZINC000309426292 170021354 /nfs/dbraw/zinc/02/13/54/170021354.db2.gz FIFFYMMZZJRRNB-AGIUHOORSA-N 2 1 224.392 2.352 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)C2)[C@@H](C)C1 ZINC000309620837 170022251 /nfs/dbraw/zinc/02/22/51/170022251.db2.gz FFNHLSVBHCUBBS-RQJABVFESA-N 2 1 224.392 2.495 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](F)C2)[C@@H](C)C1 ZINC000336778105 170022265 /nfs/dbraw/zinc/02/22/65/170022265.db2.gz KIXGLWUAOLWXGN-RVMXOQNASA-N 2 1 228.355 2.197 20 0 BEADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2F)[C@@H](C)C1 ZINC000340524101 170022384 /nfs/dbraw/zinc/02/23/84/170022384.db2.gz KBFBNRPZMZVMDU-ZDEQEGDKSA-N 2 1 228.355 2.197 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2F)[C@@H](C)C1 ZINC000340524101 170022385 /nfs/dbraw/zinc/02/23/85/170022385.db2.gz KBFBNRPZMZVMDU-ZDEQEGDKSA-N 2 1 228.355 2.197 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC2(C)C)[C@@H](C)C1 ZINC000336778036 170022440 /nfs/dbraw/zinc/02/24/40/170022440.db2.gz KFTMDVOLWASZIW-RWMBFGLXSA-N 2 1 224.392 2.495 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)C2)[C@H](C)C1 ZINC000309620833 170022810 /nfs/dbraw/zinc/02/28/10/170022810.db2.gz FFNHLSVBHCUBBS-DGAVXFQQSA-N 2 1 224.392 2.495 20 0 BEADMP CC[NH2+]C1CC[NH+](CCOCCC(C)C)CC1 ZINC000049264655 170108640 /nfs/dbraw/zinc/10/86/40/170108640.db2.gz OONTYVTVWGZBDC-UHFFFAOYSA-N 2 1 242.407 2.123 20 0 BEADMP C[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000657656158 411571583 /nfs/dbraw/zinc/57/15/83/411571583.db2.gz MIFHQDFYQDIGIC-SGMGOOAPSA-N 2 1 222.376 2.106 20 0 BEADMP c1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c[nH]1 ZINC000663344975 411633297 /nfs/dbraw/zinc/63/32/97/411633297.db2.gz DIJDVEXQYUAAJG-OAHLLOKOSA-N 2 1 247.386 2.226 20 0 BEADMP c1coc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663347636 411633927 /nfs/dbraw/zinc/63/39/27/411633927.db2.gz QZELJKJHTWRTBE-AWEZNQCLSA-N 2 1 248.370 2.491 20 0 BEADMP c1coc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347636 411633930 /nfs/dbraw/zinc/63/39/30/411633930.db2.gz QZELJKJHTWRTBE-AWEZNQCLSA-N 2 1 248.370 2.491 20 0 BEADMP C([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CC1 ZINC000663347069 411634293 /nfs/dbraw/zinc/63/42/93/411634293.db2.gz YWUIKBXVRYDWCM-CQSZACIVSA-N 2 1 222.376 2.108 20 0 BEADMP C([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC000657677560 411579855 /nfs/dbraw/zinc/57/98/55/411579855.db2.gz FPIXSAHUAMEABT-CYBMUJFWSA-N 2 1 222.376 2.393 20 0 BEADMP C([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC000657677560 411579857 /nfs/dbraw/zinc/57/98/57/411579857.db2.gz FPIXSAHUAMEABT-CYBMUJFWSA-N 2 1 222.376 2.393 20 0 BEADMP c1c[nH+]c(N2CC[NH+](CCCC3CCC3)CC2)[nH]1 ZINC000660419850 411583071 /nfs/dbraw/zinc/58/30/71/411583071.db2.gz LXUMCHAGKXJBID-UHFFFAOYSA-N 2 1 248.374 2.112 20 0 BEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660463392 411588670 /nfs/dbraw/zinc/58/86/70/411588670.db2.gz CCMWCVMGJSAEDO-QDMKHBRRSA-N 2 1 236.403 2.450 20 0 BEADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@H]1CCCOC1 ZINC000657793489 411598491 /nfs/dbraw/zinc/59/84/91/411598491.db2.gz VQMLYINSVPMAAJ-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@H]1CCCOC1 ZINC000657793489 411598492 /nfs/dbraw/zinc/59/84/92/411598492.db2.gz VQMLYINSVPMAAJ-CYBMUJFWSA-N 2 1 242.407 2.123 20 0 BEADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@H]1CCSC1 ZINC000657793462 411598943 /nfs/dbraw/zinc/59/89/43/411598943.db2.gz UNPITNCOXLSITJ-GFCCVEGCSA-N 2 1 244.448 2.450 20 0 BEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@H]1CCSC1 ZINC000657793462 411598945 /nfs/dbraw/zinc/59/89/45/411598945.db2.gz UNPITNCOXLSITJ-GFCCVEGCSA-N 2 1 244.448 2.450 20 0 BEADMP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCCSCC1 ZINC000657816003 411604818 /nfs/dbraw/zinc/60/48/18/411604818.db2.gz HBQZUGCBSFNCKS-NSHDSACASA-N 2 1 230.421 2.202 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657823595 411607056 /nfs/dbraw/zinc/60/70/56/411607056.db2.gz NLIHCKFOVJKHHD-RDBSUJKOSA-N 2 1 236.403 2.495 20 0 BEADMP C[NH+]1CCC([NH2+][C@H]2CCCC23CC3)CC1 ZINC000657824896 411607788 /nfs/dbraw/zinc/60/77/88/411607788.db2.gz WSRXUPXHAMROQT-LBPRGKRZSA-N 2 1 208.349 2.003 20 0 BEADMP CC[NH+]1CCC([NH2+][C@H]2CCCSCC2)CC1 ZINC000657827349 411608207 /nfs/dbraw/zinc/60/82/07/411608207.db2.gz ZIUBIOKDXALJIH-LBPRGKRZSA-N 2 1 242.432 2.346 20 0 BEADMP COC1([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)CCC1 ZINC000657829872 411609246 /nfs/dbraw/zinc/60/92/46/411609246.db2.gz ATTJOQAHOZGALA-CYBMUJFWSA-N 2 1 242.407 2.264 20 0 BEADMP CC(C)CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660653567 411613718 /nfs/dbraw/zinc/61/37/18/411613718.db2.gz BNPCHSIBLAGYGS-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CC(C)CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660653567 411613719 /nfs/dbraw/zinc/61/37/19/411613719.db2.gz BNPCHSIBLAGYGS-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CC(C)CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660653567 411613720 /nfs/dbraw/zinc/61/37/20/411613720.db2.gz BNPCHSIBLAGYGS-CQSZACIVSA-N 2 1 224.392 2.450 20 0 BEADMP CC[C@@H](C)[N@@H+](CC)CCCn1ccnc1 ZINC000661103801 411707307 /nfs/dbraw/zinc/70/73/07/411707307.db2.gz CFRNTCHOUUDXAY-GFCCVEGCSA-N 2 1 209.337 2.394 20 0 BEADMP CC1CC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663466386 411666492 /nfs/dbraw/zinc/66/64/92/411666492.db2.gz SCDYGVWMVNZYHT-HNFVBEJKSA-N 2 1 236.403 2.497 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CCCC(F)(F)F ZINC000663514158 411695674 /nfs/dbraw/zinc/69/56/74/411695674.db2.gz NQQGLUZISGARKQ-RKDXNWHRSA-N 2 1 226.286 2.305 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000663512958 411695764 /nfs/dbraw/zinc/69/57/64/411695764.db2.gz HYNAYGDGPGEBKG-RWMBFGLXSA-N 2 1 220.360 2.376 20 0 BEADMP Cn1c[nH+]cc1CC[NH2+]C1(c2ccccc2)CC1 ZINC000298454771 487620468 /nfs/dbraw/zinc/62/04/68/487620468.db2.gz OBWGWQOBJMNXEJ-UHFFFAOYSA-N 2 1 241.338 2.242 20 0 BEADMP C[C@H](CC[N@H+]1CC[C@@H]2C[C@@H]2C1)[NH+]1CC[C@H]2C[C@H]2C1 ZINC000661970396 411927858 /nfs/dbraw/zinc/92/78/58/411927858.db2.gz LFXKSGXKZNGCPF-LJIZCISZSA-N 2 1 248.414 2.449 20 0 BEADMP C[C@H](CC[NH+]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661970396 411927864 /nfs/dbraw/zinc/92/78/64/411927864.db2.gz LFXKSGXKZNGCPF-LJIZCISZSA-N 2 1 248.414 2.449 20 0 BEADMP C[C@H](CC[NH+]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000661970396 411927868 /nfs/dbraw/zinc/92/78/68/411927868.db2.gz LFXKSGXKZNGCPF-LJIZCISZSA-N 2 1 248.414 2.449 20 0 BEADMP CC[C@@H](C[NH2+]C[C@@H]1CCSC1)[NH+]1CCCC1 ZINC000309687731 170827710 /nfs/dbraw/zinc/82/77/10/170827710.db2.gz HWBDGFSFQUWFKV-STQMWFEESA-N 2 1 242.432 2.204 20 0 BEADMP CCc1cc(NC[C@H]2CC[N@H+]2C(C)(C)C)cc[nH+]1 ZINC000664139584 411868639 /nfs/dbraw/zinc/86/86/39/411868639.db2.gz WUWRTCHHSQWNKU-CQSZACIVSA-N 2 1 247.386 2.351 20 0 BEADMP CCC[N@H+](C)CC(C)(C)[NH2+]CC[C@H]1CCCO1 ZINC000662178136 412019711 /nfs/dbraw/zinc/01/97/11/412019711.db2.gz OYAAKDBAVNCLTA-CYBMUJFWSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CC[C@H]1CCCO1 ZINC000662178136 412019713 /nfs/dbraw/zinc/01/97/13/412019713.db2.gz OYAAKDBAVNCLTA-CYBMUJFWSA-N 2 1 242.407 2.266 20 0 BEADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCC1CC1 ZINC000662174729 412018918 /nfs/dbraw/zinc/01/89/18/412018918.db2.gz DPDPYLZPPKCWKD-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCC1CC1 ZINC000662174729 412018920 /nfs/dbraw/zinc/01/89/20/412018920.db2.gz DPDPYLZPPKCWKD-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@H]1C[NH2+]C ZINC000662243921 412038586 /nfs/dbraw/zinc/03/85/86/412038586.db2.gz GQZGVIFTNRPOIE-QWRGUYRKSA-N 2 1 234.334 2.352 20 0 BEADMP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@H]1C[NH2+]C ZINC000662243921 412038590 /nfs/dbraw/zinc/03/85/90/412038590.db2.gz GQZGVIFTNRPOIE-QWRGUYRKSA-N 2 1 234.334 2.352 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC000662244146 412039303 /nfs/dbraw/zinc/03/93/03/412039303.db2.gz DHIFCVGZEZZVHG-ZDUSSCGKSA-N 2 1 210.365 2.108 20 0 BEADMP [NH3+][C@H]1CC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662245869 412043515 /nfs/dbraw/zinc/04/35/15/412043515.db2.gz VARFUDWGKIFWPP-KBPBESRZSA-N 2 1 230.355 2.140 20 0 BEADMP [NH3+][C@H]1CC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662245869 412043519 /nfs/dbraw/zinc/04/35/19/412043519.db2.gz VARFUDWGKIFWPP-KBPBESRZSA-N 2 1 230.355 2.140 20 0 BEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCC1CCC1 ZINC000662265502 412056741 /nfs/dbraw/zinc/05/67/41/412056741.db2.gz PRZLWABROQEWKW-WCQYABFASA-N 2 1 210.365 2.236 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336738336 171042318 /nfs/dbraw/zinc/04/23/18/171042318.db2.gz OBQQLLZWKNRXDS-RISCZKNCSA-N 2 1 222.376 2.391 20 0 BEADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)[NH+](CC)CC ZINC000336739576 171044002 /nfs/dbraw/zinc/04/40/02/171044002.db2.gz SOUJZLGOIYEMLP-XQQFMLRXSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC000310036766 171059609 /nfs/dbraw/zinc/05/96/09/171059609.db2.gz UNXCJDIKDNUZMF-BFHYXJOUSA-N 2 1 224.392 2.497 20 0 BEADMP C1=CCC(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000662275281 412067173 /nfs/dbraw/zinc/06/71/73/412067173.db2.gz YVTBUCACEUDQEM-CABCVRRESA-N 2 1 234.387 2.274 20 0 BEADMP CO[C@H](C[N@@H+](C)C1CC([NH3+])C1)C1CCCCC1 ZINC000662274561 412067233 /nfs/dbraw/zinc/06/72/33/412067233.db2.gz VXTLBNIZOBWORD-JXQTWKCFSA-N 2 1 240.391 2.003 20 0 BEADMP CO[C@@H](C[N@@H+](C)C1CC([NH3+])C1)C1CCCCC1 ZINC000662274562 412067738 /nfs/dbraw/zinc/06/77/38/412067738.db2.gz VXTLBNIZOBWORD-RUXDESIVSA-N 2 1 240.391 2.003 20 0 BEADMP CC(C)=CCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000662278476 412070916 /nfs/dbraw/zinc/07/09/16/412070916.db2.gz YBEMZFUVVHBASO-CQSZACIVSA-N 2 1 222.376 2.418 20 0 BEADMP CC[C@@]1(C)CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359192476 171201375 /nfs/dbraw/zinc/20/13/75/171201375.db2.gz PKWHINSKKVKAIA-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP CO[C@@H](C[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000662282243 412073234 /nfs/dbraw/zinc/07/32/34/412073234.db2.gz DVWKUZIRSDJNKM-KFWWJZLASA-N 2 1 248.370 2.234 20 0 BEADMP C([C@@H]1CC[C@H]2C[C@H]2C1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000662282050 412073480 /nfs/dbraw/zinc/07/34/80/412073480.db2.gz CGTUVFZXCKIYHD-HZSPNIEDSA-N 2 1 234.387 2.251 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC2CC=CC2)[C@H]1CC[NH3+] ZINC000662285851 412078039 /nfs/dbraw/zinc/07/80/39/412078039.db2.gz NSCGGZTULOXDKW-OCCSQVGLSA-N 2 1 222.376 2.402 20 0 BEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1C[NH3+] ZINC000662283829 412074623 /nfs/dbraw/zinc/07/46/23/412074623.db2.gz QICMVCVIGSAZPJ-ARSDKDGVSA-N 2 1 236.403 2.338 20 0 BEADMP CC[C@H](C)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000121125139 171273203 /nfs/dbraw/zinc/27/32/03/171273203.db2.gz ZGLSWMYAQQSKGY-QWHCGFSZSA-N 2 1 212.381 2.306 20 0 BEADMP CC[C@H](C)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000121125139 171273205 /nfs/dbraw/zinc/27/32/05/171273205.db2.gz ZGLSWMYAQQSKGY-QWHCGFSZSA-N 2 1 212.381 2.306 20 0 BEADMP CC[C@H](C)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000121125139 171273208 /nfs/dbraw/zinc/27/32/08/171273208.db2.gz ZGLSWMYAQQSKGY-QWHCGFSZSA-N 2 1 212.381 2.306 20 0 BEADMP CC[C@H](C)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000120266394 171273359 /nfs/dbraw/zinc/27/33/59/171273359.db2.gz ACFQZXOQVFZYOH-LBPRGKRZSA-N 2 1 212.381 2.306 20 0 BEADMP CC[C@H](C)C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000309220313 171288274 /nfs/dbraw/zinc/28/82/74/171288274.db2.gz VDABTMBQWNUWGD-XQQFMLRXSA-N 2 1 212.381 2.352 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000336659924 171307839 /nfs/dbraw/zinc/30/78/39/171307839.db2.gz BQZICSIZAQBHIJ-ZDEQEGDKSA-N 2 1 212.381 2.351 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000336659924 171307840 /nfs/dbraw/zinc/30/78/40/171307840.db2.gz BQZICSIZAQBHIJ-ZDEQEGDKSA-N 2 1 212.381 2.351 20 0 BEADMP CC[C@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000336529253 171317692 /nfs/dbraw/zinc/31/76/92/171317692.db2.gz JPNFNRUQYHCZEX-LBPRGKRZSA-N 2 1 210.365 2.345 20 0 BEADMP FCCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293046 412080291 /nfs/dbraw/zinc/08/02/91/412080291.db2.gz IYQKPTRUHJANFF-CYBMUJFWSA-N 2 1 228.355 2.058 20 0 BEADMP CCc1cccc(C[N@H+](C)CC(C)(C)[NH3+])c1 ZINC000662292826 412082403 /nfs/dbraw/zinc/08/24/03/412082403.db2.gz AITOSTONNJDDCU-UHFFFAOYSA-N 2 1 220.360 2.418 20 0 BEADMP CCc1cccc(C[N@@H+](C)CC(C)(C)[NH3+])c1 ZINC000662292826 412082404 /nfs/dbraw/zinc/08/24/04/412082404.db2.gz AITOSTONNJDDCU-UHFFFAOYSA-N 2 1 220.360 2.418 20 0 BEADMP Cc1ccccc1CCC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662304396 412089548 /nfs/dbraw/zinc/08/95/48/412089548.db2.gz QSOCWESHENYVLK-UHFFFAOYSA-N 2 1 244.382 2.351 20 0 BEADMP C[C@H]1CCCC[C@@H]1C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662306311 412091436 /nfs/dbraw/zinc/09/14/36/412091436.db2.gz QEZUUWLVEZLVRM-RJZJGCCBSA-N 2 1 222.376 2.236 20 0 BEADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000662305439 412091773 /nfs/dbraw/zinc/09/17/73/412091773.db2.gz HPXQXOMYECBDKN-UKRRQHHQSA-N 2 1 236.403 2.498 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2CC3CC2(C[NH3+])C3)c1 ZINC000662308514 412092865 /nfs/dbraw/zinc/09/28/65/412092865.db2.gz UPDIASTZEOFFJZ-UHFFFAOYSA-N 2 1 230.355 2.227 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CC3CC2(C[NH3+])C3)c1 ZINC000662308514 412092869 /nfs/dbraw/zinc/09/28/69/412092869.db2.gz UPDIASTZEOFFJZ-UHFFFAOYSA-N 2 1 230.355 2.227 20 0 BEADMP CCC1(CC)CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000662308680 412092981 /nfs/dbraw/zinc/09/29/81/412092981.db2.gz COGHRFQCJOYCAU-ZDUSSCGKSA-N 2 1 224.392 2.498 20 0 BEADMP CCC(CC)CCC[N@@H+](C)C[C@@](C)(O)C[NH2+]C ZINC000662317735 412098016 /nfs/dbraw/zinc/09/80/16/412098016.db2.gz RMJGTMBTRRWDQN-AWEZNQCLSA-N 2 1 244.423 2.105 20 0 BEADMP C[N@H+](C[C@@H]1CCc2ccccc21)C[C@H]1CC[NH2+]C1 ZINC000662322550 412100898 /nfs/dbraw/zinc/10/08/98/412100898.db2.gz NAFDBNYXEDMZFS-ZFWWWQNUSA-N 2 1 244.382 2.258 20 0 BEADMP CC12CC(C1)C[N@H+]2Cc1ccc2c(c1)C[NH2+]CC2 ZINC000662337071 412108131 /nfs/dbraw/zinc/10/81/31/412108131.db2.gz JCMZWOOVQMSEBS-UHFFFAOYSA-N 2 1 242.366 2.317 20 0 BEADMP C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000665274067 412215874 /nfs/dbraw/zinc/21/58/74/412215874.db2.gz JGGNYLPYFMQJDO-DCAQKATOSA-N 2 1 246.345 2.398 20 0 BEADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000665243619 412187825 /nfs/dbraw/zinc/18/78/25/412187825.db2.gz NWDHSLRWNRGWDR-SCRDCRAPSA-N 2 1 248.370 2.139 20 0 BEADMP C[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)c1ccccn1 ZINC000665232055 412170118 /nfs/dbraw/zinc/17/01/18/412170118.db2.gz FCPINYRHYBEMNR-UMVBOHGHSA-N 2 1 247.386 2.305 20 0 BEADMP CC[C@@H]([NH2+]C[C@H](C)c1ccccn1)[C@@H]1CCC[NH2+]1 ZINC000665232809 412172073 /nfs/dbraw/zinc/17/20/73/412172073.db2.gz USFCKZPNATYRHG-GUTXKFCHSA-N 2 1 247.386 2.305 20 0 BEADMP C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)[C@@H]1CCC[NH2+]1 ZINC000665273732 412216142 /nfs/dbraw/zinc/21/61/42/412216142.db2.gz CKQMDMNMGXRJTR-GUBZILKMSA-N 2 1 232.318 2.008 20 0 BEADMP Cc1ccc2c(c1)[C@H]([NH2+]CC13CC(C1)C[NH2+]3)CC2 ZINC000665277019 412219476 /nfs/dbraw/zinc/21/94/76/412219476.db2.gz RIAXZGLWEWAILR-DSSZZKGTSA-N 2 1 242.366 2.324 20 0 BEADMP C[C@H]([NH2+]CCCc1ccco1)c1c[nH+]ccc1N ZINC000665283404 412229240 /nfs/dbraw/zinc/22/92/40/412229240.db2.gz NFVXTNITLAWTLD-NSHDSACASA-N 2 1 245.326 2.371 20 0 BEADMP C[C@H]([NH2+]CCCc1ccco1)[C@H]1CCCC[NH2+]1 ZINC000665283550 412229916 /nfs/dbraw/zinc/22/99/16/412229916.db2.gz PSOFIRHJWWRSES-GXTWGEPZSA-N 2 1 236.359 2.332 20 0 BEADMP C[NH2+]C[C@H](C)[NH2+][C@H](CCC(C)C)C1CC1 ZINC000665297345 412236994 /nfs/dbraw/zinc/23/69/94/412236994.db2.gz DMBYZDSWPYMBGI-WCQYABFASA-N 2 1 212.381 2.399 20 0 BEADMP CCCCO[C@@H]1C[C@H]([NH2+][C@H](C)C[NH2+]C)C1(C)C ZINC000665296059 412243438 /nfs/dbraw/zinc/24/34/38/412243438.db2.gz MIRCPBADMWICJM-FRRDWIJNSA-N 2 1 242.407 2.168 20 0 BEADMP CN(c1cc[nH+]c2ccsc21)[C@H](C[NH3+])C1CC1 ZINC000663241600 412398971 /nfs/dbraw/zinc/39/89/71/412398971.db2.gz IXLRKYGKHANGFT-GFCCVEGCSA-N 2 1 247.367 2.470 20 0 BEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCCCC1 ZINC000124616938 173050889 /nfs/dbraw/zinc/05/08/89/173050889.db2.gz UBPLILOIEIEQRR-ZDUSSCGKSA-N 2 1 210.365 2.347 20 0 BEADMP C[N@H+]1CC[C@@]2(CC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC000336268431 173137746 /nfs/dbraw/zinc/13/77/46/173137746.db2.gz LDPCAYYBVBMALG-GFCCVEGCSA-N 2 1 244.329 2.059 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@H+](CC3CC(F)(F)C3)C2)C1 ZINC000336268431 173137748 /nfs/dbraw/zinc/13/77/48/173137748.db2.gz LDPCAYYBVBMALG-GFCCVEGCSA-N 2 1 244.329 2.059 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC3CC(F)(F)C3)C2)C1 ZINC000336268431 173137750 /nfs/dbraw/zinc/13/77/50/173137750.db2.gz LDPCAYYBVBMALG-GFCCVEGCSA-N 2 1 244.329 2.059 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccco2)[C@H]2CCC[C@@H]21 ZINC000367619986 173151619 /nfs/dbraw/zinc/15/16/19/173151619.db2.gz XMQUOFYVMVJZKM-RDBSUJKOSA-N 2 1 234.343 2.242 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccoc2)[C@@H]2CCC[C@H]21 ZINC000367527914 173154976 /nfs/dbraw/zinc/15/49/76/173154976.db2.gz UHCYEEHGFMMIJS-MELADBBJSA-N 2 1 234.343 2.242 20 0 BEADMP C[N@H+]1C[C@@H]2C[NH+](C/C=C/c3ccccc3)C[C@@H]2C1 ZINC000193644834 173197814 /nfs/dbraw/zinc/19/78/14/173197814.db2.gz SLBOQABSKMJLDL-PIEANVHJSA-N 2 1 242.366 2.193 20 0 BEADMP C[N@@H+]1C[C@@H]2C[NH+](C/C=C/c3ccccc3)C[C@@H]2C1 ZINC000193644834 173197817 /nfs/dbraw/zinc/19/78/17/173197817.db2.gz SLBOQABSKMJLDL-PIEANVHJSA-N 2 1 242.366 2.193 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@@H]2C1 ZINC000193644834 173197820 /nfs/dbraw/zinc/19/78/20/173197820.db2.gz SLBOQABSKMJLDL-PIEANVHJSA-N 2 1 242.366 2.193 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+](C/C=C/c3ccccc3)C[C@@H]2C1 ZINC000193644834 173197822 /nfs/dbraw/zinc/19/78/22/173197822.db2.gz SLBOQABSKMJLDL-PIEANVHJSA-N 2 1 242.366 2.193 20 0 BEADMP C[NH2+]C1CC[NH+](CCCc2ccc(C)nc2)CC1 ZINC000339406407 173323094 /nfs/dbraw/zinc/32/30/94/173323094.db2.gz HITWFJWMJLBNNO-UHFFFAOYSA-N 2 1 247.386 2.006 20 0 BEADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1ccsc1 ZINC000309629240 173346729 /nfs/dbraw/zinc/34/67/29/173346729.db2.gz JZISHDHFCXARGZ-LBPRGKRZSA-N 2 1 224.373 2.495 20 0 BEADMP C[NH2+]CCC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000083357735 173349224 /nfs/dbraw/zinc/34/92/24/173349224.db2.gz JRNBPKDTLROIOJ-UHFFFAOYSA-N 2 1 230.714 2.178 20 0 BEADMP CNC[C@@H]1CCC[N@H+]1C[C@@H]1CCC[C@@H](C)C1 ZINC000227725542 173368782 /nfs/dbraw/zinc/36/87/82/173368782.db2.gz GLKWZGWZULAZFF-MCIONIFRSA-N 2 1 224.392 2.497 20 0 BEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2sccc2C)C1 ZINC000070798635 173371285 /nfs/dbraw/zinc/37/12/85/173371285.db2.gz PXCIQRYYTAQEFO-NSHDSACASA-N 2 1 224.373 2.098 20 0 BEADMP C[NH2+]C[C@H]1CC[N@H+](C/C=C/c2ccccc2)C1 ZINC000071147422 173381011 /nfs/dbraw/zinc/38/10/11/173381011.db2.gz PNVHGPMKHOVKRV-SBJJXXPASA-N 2 1 230.355 2.241 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000071147422 173381012 /nfs/dbraw/zinc/38/10/12/173381012.db2.gz PNVHGPMKHOVKRV-SBJJXXPASA-N 2 1 230.355 2.241 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000070499616 173382261 /nfs/dbraw/zinc/38/22/61/173382261.db2.gz JXEKONALGQNRPW-CQSZACIVSA-N 2 1 244.382 2.217 20 0 BEADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000336655250 174003815 /nfs/dbraw/zinc/00/38/15/174003815.db2.gz JCVRGXFDFNAUSM-QWHCGFSZSA-N 2 1 240.391 2.018 20 0 BEADMP COCCC[C@@H](C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000359620362 174260879 /nfs/dbraw/zinc/26/08/79/174260879.db2.gz LXSQFSPPFFYRNG-CYBMUJFWSA-N 2 1 242.407 2.266 20 0 BEADMP COCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340179970 174339806 /nfs/dbraw/zinc/33/98/06/174339806.db2.gz ZSZVWMSKYUHTIH-LSDHHAIUSA-N 2 1 248.370 2.058 20 0 BEADMP COCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340179970 174339808 /nfs/dbraw/zinc/33/98/08/174339808.db2.gz ZSZVWMSKYUHTIH-LSDHHAIUSA-N 2 1 248.370 2.058 20 0 BEADMP COc1ccc(C)cc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163209807 175074567 /nfs/dbraw/zinc/07/45/67/175074567.db2.gz ZKKNUYLSCFVGML-OLZOCXBDSA-N 2 1 248.370 2.173 20 0 BEADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000105480714 175112277 /nfs/dbraw/zinc/11/22/77/175112277.db2.gz DXMIZAQHJGFTMO-WFASDCNBSA-N 2 1 248.370 2.125 20 0 BEADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000105480712 175112348 /nfs/dbraw/zinc/11/23/48/175112348.db2.gz DXMIZAQHJGFTMO-DOMZBBRYSA-N 2 1 248.370 2.125 20 0 BEADMP COc1ccc2cc([C@@H](C)[NH2+]CC[NH3+])ccc2c1 ZINC000037712599 175224966 /nfs/dbraw/zinc/22/49/66/175224966.db2.gz PMNWHCPQOTYZHQ-LLVKDONJSA-N 2 1 244.338 2.458 20 0 BEADMP COc1cccc(C[N@@H+](C)CC2CC[NH2+]CC2)c1 ZINC000042442298 175255469 /nfs/dbraw/zinc/25/54/69/175255469.db2.gz PHTVALIQGOYHTR-UHFFFAOYSA-N 2 1 248.370 2.127 20 0 BEADMP COc1cccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000111695790 175258267 /nfs/dbraw/zinc/25/82/67/175258267.db2.gz GUWXPNDUXZQJOC-TZMCWYRMSA-N 2 1 248.370 2.254 20 0 BEADMP COc1cccc([C@@H](C)[NH2+]CC2([NH3+])CCC2)c1 ZINC000342125503 175287055 /nfs/dbraw/zinc/28/70/55/175287055.db2.gz IWXWADPGSGIJQN-LLVKDONJSA-N 2 1 234.343 2.227 20 0 BEADMP COc1cccc([C@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000224194779 175292545 /nfs/dbraw/zinc/29/25/45/175292545.db2.gz VCXTXKXNJZLDCD-RYUDHWBXSA-N 2 1 234.343 2.037 20 0 BEADMP COc1ccccc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000051253396 175325233 /nfs/dbraw/zinc/32/52/33/175325233.db2.gz YEOJUAFCVUKCAC-UHFFFAOYSA-N 2 1 236.359 2.112 20 0 BEADMP COc1ccccc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000051253396 175325234 /nfs/dbraw/zinc/32/52/34/175325234.db2.gz YEOJUAFCVUKCAC-UHFFFAOYSA-N 2 1 236.359 2.112 20 0 BEADMP CC(C)C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000087286701 487632551 /nfs/dbraw/zinc/63/25/51/487632551.db2.gz DEMHOEHIPGBDJB-CYBMUJFWSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H](c1ccccn1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000094011045 176026576 /nfs/dbraw/zinc/02/65/76/176026576.db2.gz KLJIBVNLPWHNNS-LBPRGKRZSA-N 2 1 233.359 2.074 20 0 BEADMP C[C@@H](c1cccnc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292100769 176030080 /nfs/dbraw/zinc/03/00/80/176030080.db2.gz HWHQCNQDJRWPIZ-ZFWWWQNUSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@@H](c1cccnc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292100769 176030081 /nfs/dbraw/zinc/03/00/81/176030081.db2.gz HWHQCNQDJRWPIZ-ZFWWWQNUSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@@H](c1cccnc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292100769 176030082 /nfs/dbraw/zinc/03/00/82/176030082.db2.gz HWHQCNQDJRWPIZ-ZFWWWQNUSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@@H](c1cccnc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292100769 176030083 /nfs/dbraw/zinc/03/00/83/176030083.db2.gz HWHQCNQDJRWPIZ-ZFWWWQNUSA-N 2 1 245.370 2.170 20 0 BEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000042864490 176076997 /nfs/dbraw/zinc/07/69/97/176076997.db2.gz MUDOHBMQSDVBSE-JHJVBQTASA-N 2 1 210.365 2.093 20 0 BEADMP C[C@@H]1CCCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335607811 176080722 /nfs/dbraw/zinc/08/07/22/176080722.db2.gz HVBMYMZDXBTGKI-OCCSQVGLSA-N 2 1 222.376 2.417 20 0 BEADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000042864495 176084293 /nfs/dbraw/zinc/08/42/93/176084293.db2.gz MUDOHBMQSDVBSE-UPJWGTAASA-N 2 1 210.365 2.093 20 0 BEADMP C[C@@H]1CCC[C@@H](CC[N@@H+]2CC[C@H]([NH3+])C2)C1 ZINC000070559897 176117402 /nfs/dbraw/zinc/11/74/02/176117402.db2.gz HCRQXGXLRVFCLG-AGIUHOORSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1CCC[C@@H](CC[N@H+]2CC[C@H]([NH3+])C2)C1 ZINC000070559897 176117403 /nfs/dbraw/zinc/11/74/03/176117403.db2.gz HCRQXGXLRVFCLG-AGIUHOORSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000235321630 176119466 /nfs/dbraw/zinc/11/94/66/176119466.db2.gz LFHCVPGZQVEYMQ-JHJVBQTASA-N 2 1 210.365 2.154 20 0 BEADMP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H](C[NH3+])C2)C1 ZINC000227572215 176137887 /nfs/dbraw/zinc/13/78/87/176137887.db2.gz KPKMVIXWUOYEPM-RDBSUJKOSA-N 2 1 224.392 2.483 20 0 BEADMP C[C@@H]1CC[C@@H](C)[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000251876418 176197516 /nfs/dbraw/zinc/19/75/16/176197516.db2.gz QWZKGKFWHLKVCX-JHJVBQTASA-N 2 1 210.365 2.106 20 0 BEADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336717142 176217885 /nfs/dbraw/zinc/21/78/85/176217885.db2.gz XUVHLWQQVGGQPA-NDBYEHHHSA-N 2 1 208.349 2.001 20 0 BEADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000336673287 176227372 /nfs/dbraw/zinc/22/73/72/176227372.db2.gz AKEPWHNPDBBDFQ-MQYQWHSLSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000336595680 176268662 /nfs/dbraw/zinc/26/86/62/176268662.db2.gz BLXUPCZIAPGCEI-ZYHUDNBSSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000336595680 176268663 /nfs/dbraw/zinc/26/86/63/176268663.db2.gz BLXUPCZIAPGCEI-ZYHUDNBSSA-N 2 1 246.345 2.494 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000300230005 176278356 /nfs/dbraw/zinc/27/83/56/176278356.db2.gz NPCBEIXOGQZEPK-NDBYEHHHSA-N 2 1 242.432 2.058 20 0 BEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCCC1 ZINC000036907481 176279117 /nfs/dbraw/zinc/27/91/17/176279117.db2.gz DPAJTUCYATWMFY-WZRBSPASSA-N 2 1 210.365 2.247 20 0 BEADMP C[C@@H]1C[N@@H+](CCc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000049708186 176293573 /nfs/dbraw/zinc/29/35/73/176293573.db2.gz LKJRAQRTOSXBCU-RISCZKNCSA-N 2 1 236.334 2.037 20 0 BEADMP C[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CCS1 ZINC000336467902 176293609 /nfs/dbraw/zinc/29/36/09/176293609.db2.gz UKGXMDKELSLFON-CHWSQXEVSA-N 2 1 242.432 2.298 20 0 BEADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CCS1 ZINC000336467902 176293611 /nfs/dbraw/zinc/29/36/11/176293611.db2.gz UKGXMDKELSLFON-CHWSQXEVSA-N 2 1 242.432 2.298 20 0 BEADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CCS1 ZINC000336467902 176293613 /nfs/dbraw/zinc/29/36/13/176293613.db2.gz UKGXMDKELSLFON-CHWSQXEVSA-N 2 1 242.432 2.298 20 0 BEADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CCS1 ZINC000336467902 176293615 /nfs/dbraw/zinc/29/36/15/176293615.db2.gz UKGXMDKELSLFON-CHWSQXEVSA-N 2 1 242.432 2.298 20 0 BEADMP C[C@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@H]1C ZINC000336650832 176294460 /nfs/dbraw/zinc/29/44/60/176294460.db2.gz TYIXCIYRMDZWGD-FRRDWIJNSA-N 2 1 210.365 2.059 20 0 BEADMP C[C@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000336650832 176294462 /nfs/dbraw/zinc/29/44/62/176294462.db2.gz TYIXCIYRMDZWGD-FRRDWIJNSA-N 2 1 210.365 2.059 20 0 BEADMP C[C@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC000336650832 176294464 /nfs/dbraw/zinc/29/44/64/176294464.db2.gz TYIXCIYRMDZWGD-FRRDWIJNSA-N 2 1 210.365 2.059 20 0 BEADMP C[C@@H]1C[C@@H](C)[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000336651733 176363286 /nfs/dbraw/zinc/36/32/86/176363286.db2.gz VSKQNTXYMCAYLV-JHJVBQTASA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@@H](C)[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000336651733 176363287 /nfs/dbraw/zinc/36/32/87/176363287.db2.gz VSKQNTXYMCAYLV-JHJVBQTASA-N 2 1 210.365 2.201 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC2(C)C)CC[NH2+]1 ZINC000235380851 176369259 /nfs/dbraw/zinc/36/92/59/176369259.db2.gz SKCSDAHEWGIHIJ-NEPJUHHUSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCCS2)CC[N@H+]1C ZINC000120399205 176376524 /nfs/dbraw/zinc/37/65/24/176376524.db2.gz SPGWQVHLELUAQB-AGIUHOORSA-N 2 1 242.432 2.344 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)CC[N@@H+]1C ZINC000090721553 176377403 /nfs/dbraw/zinc/37/74/03/176377403.db2.gz UXLBAUANSLMZAT-RISCZKNCSA-N 2 1 236.334 2.398 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)CC[N@H+]1C ZINC000090721553 176377404 /nfs/dbraw/zinc/37/74/04/176377404.db2.gz UXLBAUANSLMZAT-RISCZKNCSA-N 2 1 236.334 2.398 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000309775595 176397803 /nfs/dbraw/zinc/39/78/03/176397803.db2.gz LPSZJWSLJCBQIJ-RGDJUOJXSA-N 2 1 222.376 2.105 20 0 BEADMP C[C@H](c1ccccn1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000177170100 177043586 /nfs/dbraw/zinc/04/35/86/177043586.db2.gz BROXFNVAOGTROQ-CHWSQXEVSA-N 2 1 233.359 2.026 20 0 BEADMP C[C@H](c1ccccn1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000177170100 177043587 /nfs/dbraw/zinc/04/35/87/177043587.db2.gz BROXFNVAOGTROQ-CHWSQXEVSA-N 2 1 233.359 2.026 20 0 BEADMP C[C@H](c1cccnc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000358458796 177045775 /nfs/dbraw/zinc/04/57/75/177045775.db2.gz UGQNOYURJQJTRH-OLZOCXBDSA-N 2 1 233.359 2.026 20 0 BEADMP C[C@H](c1cccnc1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000358458796 177045777 /nfs/dbraw/zinc/04/57/77/177045777.db2.gz UGQNOYURJQJTRH-OLZOCXBDSA-N 2 1 233.359 2.026 20 0 BEADMP C[C@H](c1cccnc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169737 177045866 /nfs/dbraw/zinc/04/58/66/177045866.db2.gz GDEORWNAMOOVFX-CHWSQXEVSA-N 2 1 233.359 2.203 20 0 BEADMP C[C@H]1CCCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000069944970 177069945 /nfs/dbraw/zinc/06/99/45/177069945.db2.gz ZKYBDANLMGFETA-LBPRGKRZSA-N 2 1 210.365 2.251 20 0 BEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCSC1 ZINC000019912921 177074812 /nfs/dbraw/zinc/07/48/12/177074812.db2.gz SMJFOKQZKVIBGJ-QWHCGFSZSA-N 2 1 242.432 2.346 20 0 BEADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2C)CC[NH2+]1 ZINC000235381031 177076705 /nfs/dbraw/zinc/07/67/05/177076705.db2.gz OBLVBDRSHHJVOE-AGIUHOORSA-N 2 1 210.365 2.249 20 0 BEADMP C[C@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C[NH3+] ZINC000251619431 177101678 /nfs/dbraw/zinc/10/16/78/177101678.db2.gz CLPKYWAHLPJTMT-JSGCOSHPSA-N 2 1 218.344 2.246 20 0 BEADMP C[C@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C[NH3+] ZINC000251619431 177101676 /nfs/dbraw/zinc/10/16/76/177101676.db2.gz CLPKYWAHLPJTMT-JSGCOSHPSA-N 2 1 218.344 2.246 20 0 BEADMP C[C@H]1C[N@@H+](CC2CCCCC2)CC[C@@H]1[NH3+] ZINC000049710705 177246294 /nfs/dbraw/zinc/24/62/94/177246294.db2.gz JDTXEYQOJHLZCZ-AAEUAGOBSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H](CC[N@@H+]1C[C@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000300050417 177254294 /nfs/dbraw/zinc/25/42/94/177254294.db2.gz ZQXCVGMYELTCKF-VNHYZAJKSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@H](CC[N@H+]1C[C@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000300050417 177254295 /nfs/dbraw/zinc/25/42/95/177254295.db2.gz ZQXCVGMYELTCKF-VNHYZAJKSA-N 2 1 232.371 2.459 20 0 BEADMP C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000229420706 177313239 /nfs/dbraw/zinc/31/32/39/177313239.db2.gz LESAHKZIPUPBGK-XJFOESAGSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000229421077 177313741 /nfs/dbraw/zinc/31/37/41/177313741.db2.gz DYOKXNYRPWMRNI-FRRDWIJNSA-N 2 1 224.392 2.352 20 0 BEADMP C[C@H]1C[C@@H](C[N@@H+](C)CC(C)(C)C)CC[NH2+]1 ZINC000235657591 177323403 /nfs/dbraw/zinc/32/34/03/177323403.db2.gz FCYPYXKPLZXTPS-RYUDHWBXSA-N 2 1 212.381 2.352 20 0 BEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC1CCCC1 ZINC000049713046 177326422 /nfs/dbraw/zinc/32/64/22/177326422.db2.gz OCGLWQCRBLRXMP-AAEUAGOBSA-N 2 1 210.365 2.378 20 0 BEADMP C[C@H]1C[C@@H]([NH+](C)CCC2CC2)CC[N@@H+]1C ZINC000336699510 177327045 /nfs/dbraw/zinc/32/70/45/177327045.db2.gz XQDQGVRDLOREHC-AAEUAGOBSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]1C[C@@H]([NH+](C)CCC2CC2)CC[N@H+]1C ZINC000336699510 177327046 /nfs/dbraw/zinc/32/70/46/177327046.db2.gz XQDQGVRDLOREHC-AAEUAGOBSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]1C[C@@H]([N@H+](C)CCC2CC2)CC[NH+]1C ZINC000336699510 177327048 /nfs/dbraw/zinc/32/70/48/177327048.db2.gz XQDQGVRDLOREHC-AAEUAGOBSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]1C[C@@H]([N@@H+](C)CCC2CC2)CC[NH+]1C ZINC000336699510 177327049 /nfs/dbraw/zinc/32/70/49/177327049.db2.gz XQDQGVRDLOREHC-AAEUAGOBSA-N 2 1 210.365 2.201 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CCC2(F)CCC2)CC[N@H+]1C ZINC000309808496 177331096 /nfs/dbraw/zinc/33/10/96/177331096.db2.gz SUFSYYKKHQJNID-RYUDHWBXSA-N 2 1 228.355 2.341 20 0 BEADMP C[C@H]1C[C@@H]([NH2+]CCc2ccccc2O)CC[N@H+]1C ZINC000154920269 177332533 /nfs/dbraw/zinc/33/25/33/177332533.db2.gz IHAAYCHBXCUWIN-JSGCOSHPSA-N 2 1 248.370 2.007 20 0 BEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC1CCCCC1 ZINC000122312674 177361290 /nfs/dbraw/zinc/36/12/90/177361290.db2.gz CGUUJETWSSGYCW-WCQYABFASA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000131760200 177361560 /nfs/dbraw/zinc/36/15/60/177361560.db2.gz OXGZFWVRIBTNJD-GXTWGEPZSA-N 2 1 244.382 2.344 20 0 BEADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1F ZINC000049708655 177365508 /nfs/dbraw/zinc/36/55/08/177365508.db2.gz OSGWSRKFNGLUGL-CMPLNLGQSA-N 2 1 222.307 2.137 20 0 BEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccccc1F ZINC000049708655 177365510 /nfs/dbraw/zinc/36/55/10/177365510.db2.gz OSGWSRKFNGLUGL-CMPLNLGQSA-N 2 1 222.307 2.137 20 0 BEADMP C[C@H]1C[C@H]1C[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000309808052 177381893 /nfs/dbraw/zinc/38/18/93/177381893.db2.gz SRHIZQGMSAVSAM-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1C[C@H]1C[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000309808052 177381895 /nfs/dbraw/zinc/38/18/95/177381895.db2.gz SRHIZQGMSAVSAM-STQMWFEESA-N 2 1 224.392 2.497 20 0 BEADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000225984977 487642590 /nfs/dbraw/zinc/64/25/90/487642590.db2.gz FKKGFYYKAWFZGY-GXTWGEPZSA-N 2 1 222.376 2.251 20 0 BEADMP C[C@@H]1CC[C@@H]([NH2+]CCc2c[nH+]cn2C)[C@@H](C)C1 ZINC000401729734 226361952 /nfs/dbraw/zinc/36/19/52/226361952.db2.gz AUIOTEAZEZMGES-MBNYWOFBSA-N 2 1 235.375 2.377 20 0 BEADMP CCCCOCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397338386 262730084 /nfs/dbraw/zinc/73/00/84/262730084.db2.gz ZAYQNTLECAVDDW-RDBSUJKOSA-N 2 1 242.407 2.108 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](C)C(C)(C)C)C1 ZINC000162989324 487676998 /nfs/dbraw/zinc/67/69/98/487676998.db2.gz RXFKURYNWJQPFN-NWDGAFQWSA-N 2 1 212.381 2.210 20 0 BEADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)C[C@@H](C)C1 ZINC000401709050 487682938 /nfs/dbraw/zinc/68/29/38/487682938.db2.gz CSACSSPBWCYWDH-VJTDZRGJSA-N 2 1 224.392 2.399 20 0 BEADMP CCC[N@@H+](Cc1cncc(C)c1)C1CC[NH2+]CC1 ZINC000228618445 487690411 /nfs/dbraw/zinc/69/04/11/487690411.db2.gz HOFVRSRGFGNVDP-UHFFFAOYSA-N 2 1 247.386 2.354 20 0 BEADMP CC[C@@H]1C[C@H](C)C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000399148422 262777185 /nfs/dbraw/zinc/77/71/85/262777185.db2.gz GCVIQBLCXQRYEQ-YNEHKIRRSA-N 2 1 210.365 2.106 20 0 BEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)CCCOC ZINC000309948683 487731507 /nfs/dbraw/zinc/73/15/07/487731507.db2.gz FGAVVJYIYGBGKQ-CHWSQXEVSA-N 2 1 230.396 2.121 20 0 BEADMP CCCOc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000052920449 487732667 /nfs/dbraw/zinc/73/26/67/487732667.db2.gz QAJZATKFMFKIEX-CQSZACIVSA-N 2 1 248.370 2.256 20 0 BEADMP CC[N@H+](CCC(F)(F)F)C[C@@H]1CCC[NH2+]C1 ZINC000226437367 487745620 /nfs/dbraw/zinc/74/56/20/487745620.db2.gz IYXRVZMEMTWDPU-SNVBAGLBSA-N 2 1 238.297 2.260 20 0 BEADMP CC[N@@H+](CCC(F)(F)F)C[C@@H]1CCC[NH2+]C1 ZINC000226437367 487745628 /nfs/dbraw/zinc/74/56/28/487745628.db2.gz IYXRVZMEMTWDPU-SNVBAGLBSA-N 2 1 238.297 2.260 20 0 BEADMP C[C@H](c1ccncc1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251266709 487753071 /nfs/dbraw/zinc/75/30/71/487753071.db2.gz MUUPRRMLDMJSTE-SCRDCRAPSA-N 2 1 233.359 2.202 20 0 BEADMP CCC[C@H](C)C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000251363586 487754636 /nfs/dbraw/zinc/75/46/36/487754636.db2.gz SQABZFBHKYFATE-AVGNSLFASA-N 2 1 212.381 2.482 20 0 BEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CC1(F)F ZINC000666229557 487762356 /nfs/dbraw/zinc/76/23/56/487762356.db2.gz QXOWEWJJYUELNU-CABZTGNLSA-N 2 1 244.329 2.247 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CC1(F)F ZINC000666228487 487764727 /nfs/dbraw/zinc/76/47/27/487764727.db2.gz RSVNBEPZHANCJL-UKKRHICBSA-N 2 1 232.318 2.102 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CC1(F)F ZINC000666228487 487764736 /nfs/dbraw/zinc/76/47/36/487764736.db2.gz RSVNBEPZHANCJL-UKKRHICBSA-N 2 1 232.318 2.102 20 0 BEADMP CC[C@@H]1C[N@H+]([C@H](C)c2ccncc2)CC[C@@H]1[NH3+] ZINC000251585584 487772075 /nfs/dbraw/zinc/77/20/75/487772075.db2.gz CMWOQXROWDZXLO-BZPMIXESSA-N 2 1 233.359 2.202 20 0 BEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1F)C2 ZINC000385231109 487774306 /nfs/dbraw/zinc/77/43/06/487774306.db2.gz GYWSWSXDPRGNPR-ZFWWWQNUSA-N 2 1 248.345 2.387 20 0 BEADMP C[C@H](c1cccnc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000385302053 487780067 /nfs/dbraw/zinc/78/00/67/487780067.db2.gz VGYZTJOXFSAWTN-SNPRPXQTSA-N 2 1 245.370 2.203 20 0 BEADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)CC[C@H]1[NH3+] ZINC000251770957 487797040 /nfs/dbraw/zinc/79/70/40/487797040.db2.gz MLFBPYQMOPIRBW-UKRRQHHQSA-N 2 1 248.370 2.254 20 0 BEADMP CC[C@@H]1C[N@H+](Cc2cccc(F)c2)CC[C@H]1[NH3+] ZINC000251847280 487802996 /nfs/dbraw/zinc/80/29/96/487802996.db2.gz RKFYXIDMEKSQCE-TZMCWYRMSA-N 2 1 236.334 2.385 20 0 BEADMP CC[C@@H]1C[N@@H+](Cc2cccc(F)c2)CC[C@H]1[NH3+] ZINC000251847280 487803001 /nfs/dbraw/zinc/80/30/01/487803001.db2.gz RKFYXIDMEKSQCE-TZMCWYRMSA-N 2 1 236.334 2.385 20 0 BEADMP CC[C@@H](C)[N@@H+](CC)CC[C@H]1CCC[NH2+]C1 ZINC000251863235 487803860 /nfs/dbraw/zinc/80/38/60/487803860.db2.gz OSROTPFDVIGAMR-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@H]1C[N@@H+](Cc2cccc(OC)c2)CC[C@H]1[NH3+] ZINC000251922087 487807998 /nfs/dbraw/zinc/80/79/98/487807998.db2.gz YOBRXQPRMUSGAU-DZGCQCFKSA-N 2 1 248.370 2.254 20 0 BEADMP Cc1cccc([C@H]2CC[N@@H+](CCC[NH3+])C2)c1 ZINC000414739951 487820297 /nfs/dbraw/zinc/82/02/97/487820297.db2.gz CMRQNHSLHMBRKK-AWEZNQCLSA-N 2 1 218.344 2.133 20 0 BEADMP [NH3+]CCC[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000414750667 487821693 /nfs/dbraw/zinc/82/16/93/487821693.db2.gz YJVWECQVNZIKBV-JTQLQIEISA-N 2 1 240.297 2.103 20 0 BEADMP [NH3+]CCC[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000414750667 487821699 /nfs/dbraw/zinc/82/16/99/487821699.db2.gz YJVWECQVNZIKBV-JTQLQIEISA-N 2 1 240.297 2.103 20 0 BEADMP CC1(C[NH2+]CCC[NH2+]Cc2cccnc2)CCC1 ZINC000414880090 487826977 /nfs/dbraw/zinc/82/69/77/487826977.db2.gz PVNRALZOKLGWMX-UHFFFAOYSA-N 2 1 247.386 2.341 20 0 BEADMP Cc1cnccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253184600 487857667 /nfs/dbraw/zinc/85/76/67/487857667.db2.gz JWEJWPXTRUHLJY-GJZGRUSLSA-N 2 1 245.370 2.106 20 0 BEADMP Cc1cnccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253184600 487857672 /nfs/dbraw/zinc/85/76/72/487857672.db2.gz JWEJWPXTRUHLJY-GJZGRUSLSA-N 2 1 245.370 2.106 20 0 BEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc2cnccc2c1 ZINC000666741260 487869163 /nfs/dbraw/zinc/86/91/63/487869163.db2.gz HGIOPOMSFYNDHP-OAHLLOKOSA-N 2 1 243.354 2.308 20 0 BEADMP Clc1cscc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000666764393 487873957 /nfs/dbraw/zinc/87/39/57/487873957.db2.gz CLTRCXPXGXCXDU-VIFPVBQESA-N 2 1 244.791 2.491 20 0 BEADMP C[C@@H](C[NH3+])C[NH2+]Cc1cscc1Cl ZINC000666826440 487886883 /nfs/dbraw/zinc/88/68/83/487886883.db2.gz ZIKBKLUBNSZUEO-ZETCQYMHSA-N 2 1 218.753 2.086 20 0 BEADMP C[C@H](C[NH3+])[NH2+]Cc1ccccc1C1CC1 ZINC000666866766 487894610 /nfs/dbraw/zinc/89/46/10/487894610.db2.gz PKCWEKWXGWOIJV-SNVBAGLBSA-N 2 1 204.317 2.001 20 0 BEADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)nc1 ZINC000666996959 487903883 /nfs/dbraw/zinc/90/38/83/487903883.db2.gz NTXUWDLRDUIYOJ-ZDUSSCGKSA-N 2 1 245.370 2.154 20 0 BEADMP CN1CC(C[N@@H+](C)C/C=C/c2ccc(F)cc2)C1 ZINC000668539738 487904599 /nfs/dbraw/zinc/90/45/99/487904599.db2.gz KHHPBNLKDGVILH-ONEGZZNKSA-N 2 1 248.345 2.332 20 0 BEADMP C[NH2+]CCC[N@H+](C)C[C@@H]1CCC2(CCCC2)O1 ZINC000229370076 487907262 /nfs/dbraw/zinc/90/72/62/487907262.db2.gz ORYFRMCKWDLZHO-ZDUSSCGKSA-N 2 1 240.391 2.020 20 0 BEADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CCC2(CCCC2)O1 ZINC000229370076 487907265 /nfs/dbraw/zinc/90/72/65/487907265.db2.gz ORYFRMCKWDLZHO-ZDUSSCGKSA-N 2 1 240.391 2.020 20 0 BEADMP Cc1ccc(CNC[C@@H]2C[C@H](F)C[NH2+]2)cc1C ZINC000666943390 487909683 /nfs/dbraw/zinc/90/96/83/487909683.db2.gz AIXPMOPOFVAKLH-KBPBESRZSA-N 2 1 236.334 2.093 20 0 BEADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CCCO2)[C@@H]1CC[NH3+] ZINC000404296872 487917314 /nfs/dbraw/zinc/91/73/14/487917314.db2.gz OBYNMRCZALQCJE-MGPQQGTHSA-N 2 1 240.391 2.005 20 0 BEADMP Cc1ncccc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998432 487926375 /nfs/dbraw/zinc/92/63/75/487926375.db2.gz SZNNITBQMZIMAD-AWEZNQCLSA-N 2 1 245.370 2.154 20 0 BEADMP CCC[C@@H](C)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000564736271 323014365 /nfs/dbraw/zinc/01/43/65/323014365.db2.gz NQRFKYRAPDDCRK-NEPJUHHUSA-N 2 1 221.348 2.398 20 0 BEADMP C[N@H+]1CCC[C@H]2C[NH+](CC3(C)CC3)CC[C@H]21 ZINC000569904072 323043993 /nfs/dbraw/zinc/04/39/93/323043993.db2.gz CVXSMHBKIYJEFW-QWHCGFSZSA-N 2 1 222.376 2.203 20 0 BEADMP C[NH+]1CCC[C@H]2C[N@H+](CC3(C)CC3)CC[C@H]21 ZINC000569904072 323043994 /nfs/dbraw/zinc/04/39/94/323043994.db2.gz CVXSMHBKIYJEFW-QWHCGFSZSA-N 2 1 222.376 2.203 20 0 BEADMP CC(C)[C@H](C)[N@H+](C)CCCc1c[nH+]cn1C ZINC000570341949 323056696 /nfs/dbraw/zinc/05/66/96/323056696.db2.gz WCVVVDQEJZAWGW-LBPRGKRZSA-N 2 1 223.364 2.329 20 0 BEADMP CC(C)[C@H](C)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000570341949 323056697 /nfs/dbraw/zinc/05/66/97/323056697.db2.gz WCVVVDQEJZAWGW-LBPRGKRZSA-N 2 1 223.364 2.329 20 0 BEADMP C[C@H]1CCCC[C@H]1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000394824365 323085698 /nfs/dbraw/zinc/08/56/98/323085698.db2.gz JEDMBDYJGQQACR-CRWXNKLISA-N 2 1 222.376 2.106 20 0 BEADMP COc1ccc(C[NH2+][C@@H](C)C[NH3+])c2ccccc12 ZINC000414960128 323152318 /nfs/dbraw/zinc/15/23/18/323152318.db2.gz UJYNSVFQZTZXKL-NSHDSACASA-N 2 1 244.338 2.285 20 0 BEADMP C[C@H]([NH2+]CCc1ccc(F)cc1)[C@H]1CCC[NH2+]1 ZINC000400426710 323176558 /nfs/dbraw/zinc/17/65/58/323176558.db2.gz YYIIVCRBCOLDDS-SMDDNHRTSA-N 2 1 236.334 2.098 20 0 BEADMP Cc1cnccc1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000530225614 323218970 /nfs/dbraw/zinc/21/89/70/323218970.db2.gz OTFWXVWOSDRHPN-HNNXBMFYSA-N 2 1 247.386 2.387 20 0 BEADMP Cc1cnccc1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000530225623 323219084 /nfs/dbraw/zinc/21/90/84/323219084.db2.gz OTFWXVWOSDRHPN-OAHLLOKOSA-N 2 1 247.386 2.387 20 0 BEADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)o1 ZINC000532450368 323265024 /nfs/dbraw/zinc/26/50/24/323265024.db2.gz CVFGAVALJIIATO-FZMZJTMJSA-N 2 1 236.359 2.060 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@@H]1C ZINC000043324368 323273179 /nfs/dbraw/zinc/27/31/79/323273179.db2.gz QSPKIPKQDPKCGA-FDYHWXHSSA-N 2 1 210.365 2.153 20 0 BEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccoc1 ZINC000309228530 323331059 /nfs/dbraw/zinc/33/10/59/323331059.db2.gz SJSVREPEASJTHQ-SNVBAGLBSA-N 2 1 219.288 2.135 20 0 BEADMP C[C@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@@H]1C[C@H]1C ZINC000321658980 323386792 /nfs/dbraw/zinc/38/67/92/323386792.db2.gz WLQOZNQGDAARGU-MBNYWOFBSA-N 2 1 224.392 2.495 20 0 BEADMP C[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@@H]1C[C@H]1C ZINC000321658980 323386794 /nfs/dbraw/zinc/38/67/94/323386794.db2.gz WLQOZNQGDAARGU-MBNYWOFBSA-N 2 1 224.392 2.495 20 0 BEADMP C1=CCC(C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000527954075 323727911 /nfs/dbraw/zinc/72/79/11/323727911.db2.gz ZJCXPZOIHKLKFK-UHFFFAOYSA-N 2 1 220.360 2.169 20 0 BEADMP CCCCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397339383 324213205 /nfs/dbraw/zinc/21/32/05/324213205.db2.gz VBHNJPVWBHBDFS-AVGNSLFASA-N 2 1 212.381 2.482 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529542294 324332803 /nfs/dbraw/zinc/33/28/03/324332803.db2.gz IZTROQRQOWABBF-JBLDHEPKSA-N 2 1 246.345 2.493 20 0 BEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529542294 324332805 /nfs/dbraw/zinc/33/28/05/324332805.db2.gz IZTROQRQOWABBF-JBLDHEPKSA-N 2 1 246.345 2.493 20 0 BEADMP C[C@H](Cc1cccs1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000235462412 487966573 /nfs/dbraw/zinc/96/65/73/487966573.db2.gz MJLYMVYXEOZMAS-GHMZBOCLSA-N 2 1 224.373 2.021 20 0 BEADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000070643707 325020277 /nfs/dbraw/zinc/02/02/77/325020277.db2.gz DSABJECGWJNNGA-AGIUHOORSA-N 2 1 210.365 2.106 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cncs1 ZINC000133405370 325293969 /nfs/dbraw/zinc/29/39/69/325293969.db2.gz GXHVWMLMFGHMSG-QWRGUYRKSA-N 2 1 239.388 2.136 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cncs1 ZINC000133405370 325293970 /nfs/dbraw/zinc/29/39/70/325293970.db2.gz GXHVWMLMFGHMSG-QWRGUYRKSA-N 2 1 239.388 2.136 20 0 BEADMP C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000566849873 326087219 /nfs/dbraw/zinc/08/72/19/326087219.db2.gz WPTAGDQTUUEHOP-GVXVVHGQSA-N 2 1 238.400 2.409 20 0 BEADMP CC[N@@H+](C)CCNc1nccc2cc(F)ccc21 ZINC000567230109 326146794 /nfs/dbraw/zinc/14/67/94/326146794.db2.gz BQRYDYDOHNYQTD-UHFFFAOYSA-N 2 1 247.317 2.159 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000309987664 326178329 /nfs/dbraw/zinc/17/83/29/326178329.db2.gz ZEXSSEKPTANXGG-BNOWGMLFSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000567487370 326202708 /nfs/dbraw/zinc/20/27/08/326202708.db2.gz LEMGKGIQCSBGBA-HRCADAONSA-N 2 1 244.382 2.448 20 0 BEADMP [NH3+]C[C@@H]1CCC[N@@H+](CCCCC(F)(F)F)C1 ZINC000567893426 326278097 /nfs/dbraw/zinc/27/80/97/326278097.db2.gz WCSHPSANRNMOMK-JTQLQIEISA-N 2 1 238.297 2.390 20 0 BEADMP CC[C@@H](C)[C@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000314656954 326305364 /nfs/dbraw/zinc/30/53/64/326305364.db2.gz HPUHKLQUYZHDCY-NEPJUHHUSA-N 2 1 223.364 2.377 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000677236881 488003673 /nfs/dbraw/zinc/00/36/73/488003673.db2.gz VLBTZYFYIMMGPE-ZIAGYGMSSA-N 2 1 248.370 2.347 20 0 BEADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc(F)ccc1F ZINC000663497443 488046413 /nfs/dbraw/zinc/04/64/13/488046413.db2.gz ADQUOTJPDBTPQH-CYBMUJFWSA-N 2 1 242.313 2.428 20 0 BEADMP CC(C)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000084478513 488053900 /nfs/dbraw/zinc/05/39/00/488053900.db2.gz UQBUNANRKPVVNO-GFCCVEGCSA-N 2 1 212.381 2.495 20 0 BEADMP CC[C@H]1C[N@@H+](Cc2cccs2)CC[C@@H]1[NH3+] ZINC000166087426 488054318 /nfs/dbraw/zinc/05/43/18/488054318.db2.gz QZIHNVAVIARPDN-JQWIXIFHSA-N 2 1 224.373 2.307 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@]2(F)c2ccccc2)C1 ZINC000656200607 488066673 /nfs/dbraw/zinc/06/66/73/488066673.db2.gz SEJZOUDRJNPVRO-BARDWOONSA-N 2 1 248.345 2.483 20 0 BEADMP C[C@@H]1CC[C@@H](C)[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000667650035 488072545 /nfs/dbraw/zinc/07/25/45/488072545.db2.gz KCMXAFSYWUAFBH-VXGBXAGGSA-N 2 1 233.359 2.450 20 0 BEADMP CC[C@H]1CN(Cc2cnc(C)n2C)CCS1 ZINC000667650121 488072642 /nfs/dbraw/zinc/07/26/42/488072642.db2.gz MOIIWBRZNIXICN-LBPRGKRZSA-N 2 1 239.388 2.056 20 0 BEADMP CC[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000166327935 488074754 /nfs/dbraw/zinc/07/47/54/488074754.db2.gz OVIWBDNQTBPXQW-CYBMUJFWSA-N 2 1 224.392 2.498 20 0 BEADMP Fc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000257659667 488077173 /nfs/dbraw/zinc/07/71/73/488077173.db2.gz GAQHRYLDDCCMIQ-OAHLLOKOSA-N 2 1 248.345 2.401 20 0 BEADMP Fc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000257659667 488077175 /nfs/dbraw/zinc/07/71/75/488077175.db2.gz GAQHRYLDDCCMIQ-OAHLLOKOSA-N 2 1 248.345 2.401 20 0 BEADMP C[C@@H](c1cccnc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257674666 488079240 /nfs/dbraw/zinc/07/92/40/488079240.db2.gz FMTUFCZIDQZBPJ-DZGCQCFKSA-N 2 1 245.370 2.218 20 0 BEADMP C[C@@H](c1cccnc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257674666 488079244 /nfs/dbraw/zinc/07/92/44/488079244.db2.gz FMTUFCZIDQZBPJ-DZGCQCFKSA-N 2 1 245.370 2.218 20 0 BEADMP Cc1ccnc(CN(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000683010002 488089363 /nfs/dbraw/zinc/08/93/63/488089363.db2.gz BEOOTMXSNPJAFD-AWEZNQCLSA-N 2 1 247.386 2.164 20 0 BEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403506644 488124121 /nfs/dbraw/zinc/12/41/21/488124121.db2.gz BAQZPTLXGCIHPS-MRTXSQPYSA-N 2 1 222.376 2.092 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@H]1C[NH3+] ZINC000403676142 488130185 /nfs/dbraw/zinc/13/01/85/488130185.db2.gz VQKPSJBUTWGCDH-ARILJUKYSA-N 2 1 236.403 2.339 20 0 BEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C[C@@H]21 ZINC000403697565 488132342 /nfs/dbraw/zinc/13/23/42/488132342.db2.gz BMFJUTMJHJCEHR-FGZZBPHYSA-N 2 1 248.414 2.482 20 0 BEADMP c1ccc(C2CC2)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000094528303 487538974 /nfs/dbraw/zinc/53/89/74/487538974.db2.gz JEMQKMSJNIDYCV-GASCZTMLSA-N 2 1 242.366 2.215 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC[C@@H]1[NH3+] ZINC000403448159 487544029 /nfs/dbraw/zinc/54/40/29/487544029.db2.gz XMBYBCVMRXEWDR-POQQGIQPSA-N 2 1 222.376 2.092 20 0 BEADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccn1 ZINC000391180348 487474373 /nfs/dbraw/zinc/47/43/73/487474373.db2.gz JWVQGKPASVGVFM-GOOCMWNKSA-N 2 1 245.370 2.105 20 0 BEADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccn1 ZINC000391180348 487474382 /nfs/dbraw/zinc/47/43/82/487474382.db2.gz JWVQGKPASVGVFM-GOOCMWNKSA-N 2 1 245.370 2.105 20 0 BEADMP CC[C@@H]1C[N@@H+](CCc2ccccc2)CC[C@@H]1[NH3+] ZINC000022130142 487478349 /nfs/dbraw/zinc/47/83/49/487478349.db2.gz JBWFBMMQKGBHTC-CABCVRRESA-N 2 1 232.371 2.288 20 0 BEADMP C([NH2+]C[C@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000078845398 487487681 /nfs/dbraw/zinc/48/76/81/487487681.db2.gz LXHVWWXETDMGNW-CYBMUJFWSA-N 2 1 210.365 2.298 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000300670857 487500753 /nfs/dbraw/zinc/50/07/53/487500753.db2.gz XWYUCUWIFQDRMR-STQMWFEESA-N 2 1 242.407 2.264 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000300670857 487500755 /nfs/dbraw/zinc/50/07/55/487500755.db2.gz XWYUCUWIFQDRMR-STQMWFEESA-N 2 1 242.407 2.264 20 0 BEADMP c1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cs1 ZINC000334427855 487513903 /nfs/dbraw/zinc/51/39/03/487513903.db2.gz XOHXEEGKNIPHJS-CYBMUJFWSA-N 2 1 236.384 2.324 20 0 BEADMP c1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cs1 ZINC000334427855 487513906 /nfs/dbraw/zinc/51/39/06/487513906.db2.gz XOHXEEGKNIPHJS-CYBMUJFWSA-N 2 1 236.384 2.324 20 0 BEADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)C1 ZINC000300366620 487510903 /nfs/dbraw/zinc/51/09/03/487510903.db2.gz LHIIPHUNEOEBBJ-JHJVBQTASA-N 2 1 210.365 2.297 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000668236710 487518779 /nfs/dbraw/zinc/51/87/79/487518779.db2.gz UOSBEYXVALMPSV-APIJFGDWSA-N 2 1 236.403 2.497 20 0 BEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000668236713 487519111 /nfs/dbraw/zinc/51/91/11/487519111.db2.gz UOSBEYXVALMPSV-XGUBFFRZSA-N 2 1 236.403 2.497 20 0 BEADMP CC(C)=CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662274143 487523124 /nfs/dbraw/zinc/52/31/24/487523124.db2.gz RIWQBWNFNZCPPN-OKILXGFUSA-N 2 1 222.376 2.274 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+](C)C1CC([NH3+])C1 ZINC000662274265 487523147 /nfs/dbraw/zinc/52/31/47/487523147.db2.gz SJSIHNYCMFDKSY-XNWIYYODSA-N 2 1 220.307 2.089 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)C(C)(C)C ZINC000310563640 488168919 /nfs/dbraw/zinc/16/89/19/488168919.db2.gz WOTRDOKSYHWAAQ-CHWSQXEVSA-N 2 1 244.423 2.054 20 0 BEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)C(C)(C)C ZINC000310563640 488168921 /nfs/dbraw/zinc/16/89/21/488168921.db2.gz WOTRDOKSYHWAAQ-CHWSQXEVSA-N 2 1 244.423 2.054 20 0 BEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000310563640 488168924 /nfs/dbraw/zinc/16/89/24/488168924.db2.gz WOTRDOKSYHWAAQ-CHWSQXEVSA-N 2 1 244.423 2.054 20 0 BEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000392262187 487535304 /nfs/dbraw/zinc/53/53/04/487535304.db2.gz IVJMFMAPYMNJAY-HZSPNIEDSA-N 2 1 220.360 2.027 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C(C)(C)C ZINC000310563642 488168835 /nfs/dbraw/zinc/16/88/35/488168835.db2.gz WOTRDOKSYHWAAQ-OLZOCXBDSA-N 2 1 244.423 2.054 20 0 BEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)C(C)(C)C ZINC000310563642 488168840 /nfs/dbraw/zinc/16/88/40/488168840.db2.gz WOTRDOKSYHWAAQ-OLZOCXBDSA-N 2 1 244.423 2.054 20 0 BEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000310563642 488168842 /nfs/dbraw/zinc/16/88/42/488168842.db2.gz WOTRDOKSYHWAAQ-OLZOCXBDSA-N 2 1 244.423 2.054 20 0 BEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](C(F)F)C1 ZINC000678083523 488194253 /nfs/dbraw/zinc/19/42/53/488194253.db2.gz KHYQTPMZQLJZIG-GHMZBOCLSA-N 2 1 232.318 2.058 20 0 BEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](C(F)F)C1 ZINC000677729300 488204345 /nfs/dbraw/zinc/20/43/45/488204345.db2.gz BUNUNYHOHPUMGE-VXGBXAGGSA-N 2 1 246.345 2.448 20 0 BEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000677729300 488204349 /nfs/dbraw/zinc/20/43/49/488204349.db2.gz BUNUNYHOHPUMGE-VXGBXAGGSA-N 2 1 246.345 2.448 20 0 BEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](C(F)F)C1 ZINC000677729300 488204352 /nfs/dbraw/zinc/20/43/52/488204352.db2.gz BUNUNYHOHPUMGE-VXGBXAGGSA-N 2 1 246.345 2.448 20 0 BEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC3CCC3)C[C@H]21 ZINC000398648920 488221402 /nfs/dbraw/zinc/22/14/02/488221402.db2.gz KOQRZXPAAWOLSL-BFHYXJOUSA-N 2 1 222.376 2.236 20 0 BEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC2CCC2)C1 ZINC000398799002 488224635 /nfs/dbraw/zinc/22/46/35/488224635.db2.gz NDJLOEGAYJAMKA-AAEUAGOBSA-N 2 1 210.365 2.236 20 0 BEADMP C[C@H](CCCCO)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000679328805 488339780 /nfs/dbraw/zinc/33/97/80/488339780.db2.gz BBPPUNSMRBHXJU-CYBMUJFWSA-N 2 1 242.407 2.002 20 0 BEADMP C[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C[C@@H]1CCC[NH+](C)C1 ZINC000659949737 490113170 /nfs/dbraw/zinc/11/31/70/490113170.db2.gz VTYZPKAXOHUPHL-APIJFGDWSA-N 2 1 236.403 2.306 20 0 BEADMP C[NH+](C[C@@H]1C[C@H]2C[C@H]2C1)C[C@@H]1CCC[N@H+](C)C1 ZINC000659949737 490113177 /nfs/dbraw/zinc/11/31/77/490113177.db2.gz VTYZPKAXOHUPHL-APIJFGDWSA-N 2 1 236.403 2.306 20 0 BEADMP C[NH+](C[C@@H]1C[C@H]2C[C@H]2C1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000659949737 490113185 /nfs/dbraw/zinc/11/31/85/490113185.db2.gz VTYZPKAXOHUPHL-APIJFGDWSA-N 2 1 236.403 2.306 20 0 BEADMP C[N@H+]1CCC[C@H](CC[NH2+]CC2(C)CCC2)C1 ZINC000459726322 490132851 /nfs/dbraw/zinc/13/28/51/490132851.db2.gz BQMLYWFNXLRPPQ-CYBMUJFWSA-N 2 1 224.392 2.498 20 0 BEADMP C[NH2+]CCC[N@@H+](C)Cc1ccnc2ccccc12 ZINC000124744742 490401487 /nfs/dbraw/zinc/40/14/87/490401487.db2.gz VBZUCMKRYGJRKH-UHFFFAOYSA-N 2 1 243.354 2.276 20 0 BEADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000662275365 491085690 /nfs/dbraw/zinc/08/56/90/491085690.db2.gz BIORHJFHZDXEDQ-ARKGTOAJSA-N 2 1 248.414 2.497 20 0 BEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2Cc3ccccc32)CC[N@H+]1C ZINC000121596499 491106572 /nfs/dbraw/zinc/10/65/72/491106572.db2.gz UJPRUQVFDISSBM-VHDGCEQUSA-N 2 1 244.382 2.399 20 0 BEADMP CC[C@@H]1CC[C@@H](C)[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000304319110 491109968 /nfs/dbraw/zinc/10/99/68/491109968.db2.gz FJFBNEGDHWERFR-MGPQQGTHSA-N 2 1 224.392 2.497 20 0 BEADMP CC1=CCC[C@@H](C)[C@@H]1C[N@@H+](C)CC1CN(C)C1 ZINC000668538700 491127281 /nfs/dbraw/zinc/12/72/81/491127281.db2.gz AJAZHAXIQWLOSX-UKRRQHHQSA-N 2 1 236.403 2.472 20 0 BEADMP C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000133406146 491153338 /nfs/dbraw/zinc/15/33/38/491153338.db2.gz HERDWVCQHCTQSK-JSGCOSHPSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000488310704 533722813 /nfs/dbraw/zinc/72/28/13/533722813.db2.gz HJMONTNTFAWEAR-AAVRWANBSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000488310704 533722819 /nfs/dbraw/zinc/72/28/19/533722819.db2.gz HJMONTNTFAWEAR-AAVRWANBSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000488310704 533722824 /nfs/dbraw/zinc/72/28/24/533722824.db2.gz HJMONTNTFAWEAR-AAVRWANBSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@H]([NH2+]CCc1ccccc1F)[C@@H]1CCC[NH2+]1 ZINC000400386360 533873257 /nfs/dbraw/zinc/87/32/57/533873257.db2.gz LYCDCYQGFYKZHN-FZMZJTMJSA-N 2 1 236.334 2.098 20 0 BEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CC12CC2 ZINC000424377586 534178372 /nfs/dbraw/zinc/17/83/72/534178372.db2.gz RLLVCUIVFCRECG-YUTCNCBUSA-N 2 1 230.355 2.087 20 0 BEADMP CCc1ccccc1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261533336 535935951 /nfs/dbraw/zinc/93/59/51/535935951.db2.gz GSTXXYZVEPBRLU-BXUZGUMPSA-N 2 1 218.344 2.028 20 0 BEADMP CCc1ccccc1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261533336 535935954 /nfs/dbraw/zinc/93/59/54/535935954.db2.gz GSTXXYZVEPBRLU-BXUZGUMPSA-N 2 1 218.344 2.028 20 0 BEADMP CCc1nc(NCC[C@H]2CCC[NH2+]C2)cc(C)[nH+]1 ZINC000261569224 536126630 /nfs/dbraw/zinc/12/66/30/536126630.db2.gz JQUGYSYLPXFDSM-GFCCVEGCSA-N 2 1 248.374 2.149 20 0 BEADMP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000262023034 534720153 /nfs/dbraw/zinc/72/01/53/534720153.db2.gz YQNRSTMFAOZHBG-NWDGAFQWSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000262023034 534720155 /nfs/dbraw/zinc/72/01/55/534720155.db2.gz YQNRSTMFAOZHBG-NWDGAFQWSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000262023038 534720913 /nfs/dbraw/zinc/72/09/13/534720913.db2.gz YQNRSTMFAOZHBG-VXGBXAGGSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000262023038 534720918 /nfs/dbraw/zinc/72/09/18/534720918.db2.gz YQNRSTMFAOZHBG-VXGBXAGGSA-N 2 1 210.365 2.249 20 0 BEADMP CC(C)[C@@H]1CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000892403615 582877436 /nfs/dbraw/zinc/87/74/36/582877436.db2.gz OPIYXLDEFYFKJW-ZDUSSCGKSA-N 2 1 210.365 2.059 20 0 BEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@@H]2C)[C@H](C)C1 ZINC000488311709 527830910 /nfs/dbraw/zinc/83/09/10/527830910.db2.gz JUGZDWNKHNVVDO-CRWXNKLISA-N 2 1 224.392 2.305 20 0 BEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2C[C@@H]2C)[C@H](C)C1 ZINC000488311709 527830912 /nfs/dbraw/zinc/83/09/12/527830912.db2.gz JUGZDWNKHNVVDO-CRWXNKLISA-N 2 1 224.392 2.305 20 0 BEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2C[C@@H]2C)[C@H](C)C1 ZINC000488311709 527830915 /nfs/dbraw/zinc/83/09/15/527830915.db2.gz JUGZDWNKHNVVDO-CRWXNKLISA-N 2 1 224.392 2.305 20 0 BEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCSC2)C1 ZINC000494960059 527836973 /nfs/dbraw/zinc/83/69/73/527836973.db2.gz XPQLSXMEVCJQLA-OLZOCXBDSA-N 2 1 242.432 2.013 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCSC2)C1 ZINC000494960059 527836979 /nfs/dbraw/zinc/83/69/79/527836979.db2.gz XPQLSXMEVCJQLA-OLZOCXBDSA-N 2 1 242.432 2.013 20 0 BEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000494960059 527836983 /nfs/dbraw/zinc/83/69/83/527836983.db2.gz XPQLSXMEVCJQLA-OLZOCXBDSA-N 2 1 242.432 2.013 20 0 BEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2C)C1 ZINC000488351655 528176592 /nfs/dbraw/zinc/17/65/92/528176592.db2.gz FSKVYUXDQYLKJT-HZSPNIEDSA-N 2 1 224.392 2.306 20 0 BEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2C)C1 ZINC000488351659 528176800 /nfs/dbraw/zinc/17/68/00/528176800.db2.gz FSKVYUXDQYLKJT-MELADBBJSA-N 2 1 224.392 2.306 20 0 BEADMP CC(C)(C)[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000257769296 535075039 /nfs/dbraw/zinc/07/50/39/535075039.db2.gz HCZOXZOSZOAYBD-ZDUSSCGKSA-N 2 1 224.392 2.497 20 0 BEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000342410975 535235037 /nfs/dbraw/zinc/23/50/37/535235037.db2.gz FWRYPYRLNLMWOL-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000342410975 535235042 /nfs/dbraw/zinc/23/50/42/535235042.db2.gz FWRYPYRLNLMWOL-ZIAGYGMSSA-N 2 1 242.407 2.123 20 0 BEADMP CC(C)OCCC[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348205864 535324812 /nfs/dbraw/zinc/32/48/12/535324812.db2.gz ZFFIWPZNAASUGD-AWEZNQCLSA-N 2 1 242.407 2.218 20 0 BEADMP CC(C)OCCC[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000348205864 535324818 /nfs/dbraw/zinc/32/48/18/535324818.db2.gz ZFFIWPZNAASUGD-AWEZNQCLSA-N 2 1 242.407 2.218 20 0 BEADMP CC(C)OCCC[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000348205864 535324825 /nfs/dbraw/zinc/32/48/25/535324825.db2.gz ZFFIWPZNAASUGD-AWEZNQCLSA-N 2 1 242.407 2.218 20 0 BEADMP CCC(C)(C)[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000232827468 535356064 /nfs/dbraw/zinc/35/60/64/535356064.db2.gz NPAIHMJSYRRMLS-RYUDHWBXSA-N 2 1 212.381 2.495 20 0 BEADMP CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000261564571 535421006 /nfs/dbraw/zinc/42/10/06/535421006.db2.gz XTBOXCCVJPHZEX-UTUOFQBUSA-N 2 1 236.359 2.472 20 0 BEADMP CC[NH+](CC)CCC[N@H+](C)C[C@@H]1CCCCO1 ZINC000348316165 535502742 /nfs/dbraw/zinc/50/27/42/535502742.db2.gz XCIGENARBQPEQX-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](C)C[C@@H]1CCCCO1 ZINC000348316165 535502745 /nfs/dbraw/zinc/50/27/45/535502745.db2.gz XCIGENARBQPEQX-AWEZNQCLSA-N 2 1 242.407 2.219 20 0 BEADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@H](C)C1CCC1 ZINC000177794864 535651521 /nfs/dbraw/zinc/65/15/21/535651521.db2.gz RNYQCXVJJWWMRX-NWDGAFQWSA-N 2 1 212.381 2.495 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCC(F)(F)F)[C@@H](C)C1 ZINC000224510960 535768456 /nfs/dbraw/zinc/76/84/56/535768456.db2.gz YUTKJCWMDZNYID-UWVGGRQHSA-N 2 1 238.297 2.259 20 0 BEADMP CC[N@@H+](C[C@@H]1CCSC1)[C@H]1CCC[NH2+]CC1 ZINC000261995550 535773425 /nfs/dbraw/zinc/77/34/25/535773425.db2.gz SULOQBLFOQKYPQ-STQMWFEESA-N 2 1 242.432 2.204 20 0 BEADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCS1 ZINC000164179293 535860397 /nfs/dbraw/zinc/86/03/97/535860397.db2.gz AOSMSEJPAJJCTA-QWHCGFSZSA-N 2 1 242.432 2.204 20 0 BEADMP C[NH+](C)C[C@H]1CC[N@@H+](CC23CCC(CC2)C3)C1 ZINC000347775876 535964508 /nfs/dbraw/zinc/96/45/08/535964508.db2.gz GTPXDZYAIAICFO-SHARSMKWSA-N 2 1 236.403 2.450 20 0 BEADMP CC[C@@]1(C)CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178973857 536036913 /nfs/dbraw/zinc/03/69/13/536036913.db2.gz MWFYTGBUHMNYEE-AWEZNQCLSA-N 2 1 224.392 2.498 20 0 BEADMP CCc1nc(NC[C@@H]2CCC[C@@H]([NH3+])C2)cc(C)[nH+]1 ZINC000261585869 536126803 /nfs/dbraw/zinc/12/68/03/536126803.db2.gz UABYPYVSTOBLAI-VXGBXAGGSA-N 2 1 248.374 2.277 20 0 BEADMP C[N@@H+](CCC1SCCS1)CC(C)(C)C[NH3+] ZINC000853022898 588716451 /nfs/dbraw/zinc/71/64/51/588716451.db2.gz HBDPDLHSJODWFM-UHFFFAOYSA-N 2 1 248.461 2.099 20 0 BEADMP c1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)co1 ZINC000853093544 588719350 /nfs/dbraw/zinc/71/93/50/588719350.db2.gz MPYNIYITBSNMHJ-CQSZACIVSA-N 2 1 248.370 2.491 20 0 BEADMP c1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)co1 ZINC000853093544 588719351 /nfs/dbraw/zinc/71/93/51/588719351.db2.gz MPYNIYITBSNMHJ-CQSZACIVSA-N 2 1 248.370 2.491 20 0 BEADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cccnc1Cl ZINC000853247648 588729127 /nfs/dbraw/zinc/72/91/27/588729127.db2.gz WOFLINOJHQBFQK-LLVKDONJSA-N 2 1 241.766 2.198 20 0 BEADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CSC(C)(C)C ZINC000854231656 588781313 /nfs/dbraw/zinc/78/13/13/588781313.db2.gz ISPWYRBHXJCSSY-ZJUUUORDSA-N 2 1 218.410 2.104 20 0 BEADMP C[C@@H]1C[C@@H](C)[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000892105239 582792627 /nfs/dbraw/zinc/79/26/27/582792627.db2.gz XSWFJTQSIBHGRP-VXGBXAGGSA-N 2 1 210.365 2.059 20 0 BEADMP CCCSC[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000892757471 582976814 /nfs/dbraw/zinc/97/68/14/582976814.db2.gz IZWMEMRVGUZUSA-LLVKDONJSA-N 2 1 241.404 2.313 20 0 BEADMP [NH3+][C@]12CCC[C@H]1C[N@H+](CCc1cccs1)C2 ZINC000857086549 588887089 /nfs/dbraw/zinc/88/70/89/588887089.db2.gz LRRMGOWWVLEMJF-AAEUAGOBSA-N 2 1 236.384 2.104 20 0 BEADMP CC(C)C[C@H]1C[C@H]([NH2+]Cc2c[nH]cn2)CCO1 ZINC000894374904 583441819 /nfs/dbraw/zinc/44/18/19/583441819.db2.gz HIHDFQPDDAFSPA-YPMHNXCESA-N 2 1 237.347 2.093 20 0 BEADMP CC[C@H](CSC)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000894494543 583474097 /nfs/dbraw/zinc/47/40/97/583474097.db2.gz FZMRRFOMXKVYBU-CYBMUJFWSA-N 2 1 244.448 2.402 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CCCc3occc3C2)CC1 ZINC000894527233 583477668 /nfs/dbraw/zinc/47/76/68/583477668.db2.gz KYFXPDUXBBSAFD-UHFFFAOYSA-N 2 1 248.370 2.370 20 0 BEADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCC1(F)F ZINC000894533319 583479015 /nfs/dbraw/zinc/47/90/15/583479015.db2.gz FWDVYXLZZKVMOR-LLVKDONJSA-N 2 1 246.345 2.305 20 0 BEADMP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)CF)CC1 ZINC000894600761 583491407 /nfs/dbraw/zinc/49/14/07/583491407.db2.gz LBSSAMDNNSNCBC-LBPRGKRZSA-N 2 1 230.371 2.445 20 0 BEADMP C[NH+]1CCC(C[N@H+]2CCC[C@](C)(F)C2)CC1 ZINC000894659282 583504214 /nfs/dbraw/zinc/50/42/14/583504214.db2.gz QAWJSFSKNCCWMV-ZDUSSCGKSA-N 2 1 228.355 2.152 20 0 BEADMP c1nc(CNc2cc3c(cn2)CCCC3)c[nH]1 ZINC000894816907 583525626 /nfs/dbraw/zinc/52/56/26/583525626.db2.gz XWYWBXXSFVLCEI-UHFFFAOYSA-N 2 1 228.299 2.296 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCCCCC1 ZINC000129558245 583579865 /nfs/dbraw/zinc/57/98/65/583579865.db2.gz AREKODWKUXPTAP-AAEUAGOBSA-N 2 1 210.365 2.439 20 0 BEADMP C[C@H](CC[NH2+]Cc1cc2cccnc2o1)[NH+](C)C ZINC000895294643 583638408 /nfs/dbraw/zinc/63/84/08/583638408.db2.gz YVIKKBYOEZHBCB-LLVKDONJSA-N 2 1 247.342 2.258 20 0 BEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC=CO2)CC1(C)C ZINC000858158542 588936082 /nfs/dbraw/zinc/93/60/82/588936082.db2.gz LFAPBTNGLSCKHV-STQMWFEESA-N 2 1 238.375 2.142 20 0 BEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccoc1 ZINC000729681294 584022391 /nfs/dbraw/zinc/02/23/91/584022391.db2.gz OPFJAGNKURVALT-NSHDSACASA-N 2 1 233.315 2.210 20 0 BEADMP CC(C)C1(C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CC1 ZINC000897620029 584032370 /nfs/dbraw/zinc/03/23/70/584032370.db2.gz DMUKADCTADHFAX-UONOGXRCSA-N 2 1 236.403 2.306 20 0 BEADMP CC(C)C1(C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CC1 ZINC000897620029 584032371 /nfs/dbraw/zinc/03/23/71/584032371.db2.gz DMUKADCTADHFAX-UONOGXRCSA-N 2 1 236.403 2.306 20 0 BEADMP CC(C)C1(C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC1 ZINC000897620029 584032373 /nfs/dbraw/zinc/03/23/73/584032373.db2.gz DMUKADCTADHFAX-UONOGXRCSA-N 2 1 236.403 2.306 20 0 BEADMP C1[C@H]2CCC[C@H]2[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000897955449 584065429 /nfs/dbraw/zinc/06/54/29/584065429.db2.gz UVAGLQKMQOTMSJ-QMIVOQANSA-N 2 1 234.387 2.391 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000897955910 584065683 /nfs/dbraw/zinc/06/56/83/584065683.db2.gz YYJBXBCBDMPSPL-KWCYVHTRSA-N 2 1 245.370 2.426 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CCC[C@H]23)[C@H](C)C1 ZINC000897955914 584065882 /nfs/dbraw/zinc/06/58/82/584065882.db2.gz YZUXVYCFHVOUNC-CAEXGNQWSA-N 2 1 236.403 2.495 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]32)CC[N@@H+]1C ZINC000897959702 584067372 /nfs/dbraw/zinc/06/73/72/584067372.db2.gz WLRJIFWLOJFNOM-DHGKCCLASA-N 2 1 222.376 2.247 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]32)CC[N@H+]1C ZINC000897959702 584067373 /nfs/dbraw/zinc/06/73/73/584067373.db2.gz WLRJIFWLOJFNOM-DHGKCCLASA-N 2 1 222.376 2.247 20 0 BEADMP C[C@H]1C[C@@H]1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC000898307730 584109740 /nfs/dbraw/zinc/10/97/40/584109740.db2.gz GHZFSZFXTLSHEB-NWDGAFQWSA-N 2 1 212.381 2.162 20 0 BEADMP C(CC1CC1)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000866666086 584121604 /nfs/dbraw/zinc/12/16/04/584121604.db2.gz NFJZEHRPFQNKHD-LSDHHAIUSA-N 2 1 236.403 2.498 20 0 BEADMP CC1(C)C[NH2+]C[C@@H]1Nc1cc[nH+]c2ccsc21 ZINC000900019895 584267143 /nfs/dbraw/zinc/26/71/43/584267143.db2.gz HSBGRJXDJYMROS-NSHDSACASA-N 2 1 247.367 2.128 20 0 BEADMP CNc1ccc(C)cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000902041822 584515319 /nfs/dbraw/zinc/51/53/19/584515319.db2.gz KTIRNJUHSARNAM-UHFFFAOYSA-N 2 1 247.386 2.221 20 0 BEADMP CCNc1ccccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000902042536 584515408 /nfs/dbraw/zinc/51/54/08/584515408.db2.gz PTWNHRGCRRFKGD-UHFFFAOYSA-N 2 1 247.386 2.302 20 0 BEADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccco2)C1 ZINC000902315794 584556167 /nfs/dbraw/zinc/55/61/67/584556167.db2.gz DJKGLQGJYJFZNY-NSHDSACASA-N 2 1 222.332 2.147 20 0 BEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccoc2)C1 ZINC000902364301 584573388 /nfs/dbraw/zinc/57/33/88/584573388.db2.gz RGVXFSUIEAQNMT-GFCCVEGCSA-N 2 1 222.332 2.147 20 0 BEADMP NC1(C[NH2+][C@@H]2CCCc3ccccc3C2)CC1 ZINC000902407098 584574198 /nfs/dbraw/zinc/57/41/98/584574198.db2.gz PHEVXXKKAQRZAS-CQSZACIVSA-N 2 1 230.355 2.015 20 0 BEADMP C[C@H](Cc1coc2ccccc12)[NH2+]CC1([NH3+])CC1 ZINC000902409710 584575508 /nfs/dbraw/zinc/57/55/08/584575508.db2.gz MQRCGQMPCYYEKZ-LLVKDONJSA-N 2 1 244.338 2.445 20 0 BEADMP COc1cccc2c1CCC[C@H]2[NH2+]CC1([NH3+])CC1 ZINC000902404872 584589111 /nfs/dbraw/zinc/58/91/11/584589111.db2.gz GKJYJTLCQRDVGH-CYBMUJFWSA-N 2 1 246.354 2.154 20 0 BEADMP CCOc1ccc([C@@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902416685 584590142 /nfs/dbraw/zinc/59/01/42/584590142.db2.gz WIHCFDLMNDQVHG-LLVKDONJSA-N 2 1 234.343 2.227 20 0 BEADMP [NH3+]C1(C[NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000902416108 584590426 /nfs/dbraw/zinc/59/04/26/584590426.db2.gz RPARDCPZDHESIQ-ZDUSSCGKSA-N 2 1 216.328 2.145 20 0 BEADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1([NH3+])CC1 ZINC000902414262 584599478 /nfs/dbraw/zinc/59/94/78/584599478.db2.gz UWBHTUXMAKSBGJ-SNVBAGLBSA-N 2 1 238.762 2.352 20 0 BEADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000902414279 584599847 /nfs/dbraw/zinc/59/98/47/584599847.db2.gz VITCNRNAIQSNCF-CYBMUJFWSA-N 2 1 234.318 2.284 20 0 BEADMP Cc1ccc([C@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902414466 584600368 /nfs/dbraw/zinc/60/03/68/584600368.db2.gz BDUXPXZYTPELCH-NSHDSACASA-N 2 1 204.317 2.137 20 0 BEADMP C[C@@H](CCc1ccccc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473153 584601030 /nfs/dbraw/zinc/60/10/30/584601030.db2.gz SKFVLCCXPYXZMK-DRPJVOAASA-N 2 1 244.382 2.490 20 0 BEADMP C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902476160 584602633 /nfs/dbraw/zinc/60/26/33/584602633.db2.gz MQGIKZVQXKDFLT-WHOHXGKFSA-N 2 1 242.432 2.389 20 0 BEADMP CC1(C)C[NH2+]C[C@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000902447071 584604170 /nfs/dbraw/zinc/60/41/70/584604170.db2.gz RECZEZVJAJSYLA-LSDHHAIUSA-N 2 1 244.382 2.132 20 0 BEADMP C[C@H]([NH2+]C[C@H]1CCCC(C)(C)O1)[C@H]1CCC[NH2+]1 ZINC000902461276 584611599 /nfs/dbraw/zinc/61/15/99/584611599.db2.gz NLYXXBHELCNDNC-YNEHKIRRSA-N 2 1 240.391 2.064 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCCC(C)(C)O1 ZINC000902462168 584612684 /nfs/dbraw/zinc/61/26/84/584612684.db2.gz ULDRXDRKECCPMK-AVGNSLFASA-N 2 1 240.391 2.064 20 0 BEADMP CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902464589 584613153 /nfs/dbraw/zinc/61/31/53/584613153.db2.gz AORHWIFDRGYLID-CAOSSQGBSA-N 2 1 244.382 2.490 20 0 BEADMP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466873 584615052 /nfs/dbraw/zinc/61/50/52/584615052.db2.gz ODTILWIWIWNFGY-WAZAZEMKSA-N 2 1 248.345 2.239 20 0 BEADMP CCCC[C@@H](COC)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902481861 584623940 /nfs/dbraw/zinc/62/39/40/584623940.db2.gz HLNTXJFTJCJTCG-KBPBESRZSA-N 2 1 242.407 2.313 20 0 BEADMP CC1(C)[C@H]([NH2+]C/C=C/Cl)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902520585 584631664 /nfs/dbraw/zinc/63/16/64/584631664.db2.gz PJFFCGSURMFGBR-AHSGZEFJSA-N 2 1 228.767 2.105 20 0 BEADMP C[N@H+]1CCCC[C@H]1CCN1CCC[C@@H](F)C1 ZINC000903002140 584716252 /nfs/dbraw/zinc/71/62/52/584716252.db2.gz WUOVXZFABKJGLJ-OLZOCXBDSA-N 2 1 228.355 2.295 20 0 BEADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000903252496 584738937 /nfs/dbraw/zinc/73/89/37/584738937.db2.gz DITRWFOBDWPRHK-LWGJEFJTSA-N 2 1 234.387 2.247 20 0 BEADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)C1CC1 ZINC000903382308 584757351 /nfs/dbraw/zinc/75/73/51/584757351.db2.gz DOQDQFYNBOBJEY-IUODEOHRSA-N 2 1 247.386 2.463 20 0 BEADMP CC(C)[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)C1CCCC1 ZINC000903430911 584761557 /nfs/dbraw/zinc/76/15/57/584761557.db2.gz IGTFUHKPYNYGNN-OLZOCXBDSA-N 2 1 224.392 2.495 20 0 BEADMP C[N@@H+](Cc1ccc2cc[nH]c2c1)C1CC[NH2+]CC1 ZINC000903421694 584763978 /nfs/dbraw/zinc/76/39/78/584763978.db2.gz RUGJSICDJMGAAA-UHFFFAOYSA-N 2 1 243.354 2.352 20 0 BEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903422641 584764531 /nfs/dbraw/zinc/76/45/31/584764531.db2.gz HGZOJUUOGFXUON-CYBMUJFWSA-N 2 1 243.354 2.209 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000903454127 584772573 /nfs/dbraw/zinc/77/25/73/584772573.db2.gz VNFPXWVCVABOPR-CBBWQLFWSA-N 2 1 236.403 2.497 20 0 BEADMP c1csc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000903469716 584774895 /nfs/dbraw/zinc/77/48/95/584774895.db2.gz BACAMYXNANQIBG-GFCCVEGCSA-N 2 1 236.384 2.165 20 0 BEADMP c1ccc(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903481456 584778023 /nfs/dbraw/zinc/77/80/23/584778023.db2.gz CJBJEDADDKYCFZ-HNNXBMFYSA-N 2 1 244.382 2.493 20 0 BEADMP C[C@]12C[N@@H+](CC3CC[NH2+]CC3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903707900 584791363 /nfs/dbraw/zinc/79/13/63/584791363.db2.gz UWBVXMZVVIPVRL-XUWVNRHRSA-N 2 1 246.398 2.130 20 0 BEADMP CC1CC(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000903752458 584795730 /nfs/dbraw/zinc/79/57/30/584795730.db2.gz SSGLFIPHTABYHI-NEXFUWMNSA-N 2 1 236.403 2.497 20 0 BEADMP CC1CC(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)C1 ZINC000903752460 584795753 /nfs/dbraw/zinc/79/57/53/584795753.db2.gz SSGLFIPHTABYHI-PFSRBDOWSA-N 2 1 236.403 2.497 20 0 BEADMP CC1CC(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000903740886 584796310 /nfs/dbraw/zinc/79/63/10/584796310.db2.gz LTJDSCSDCWYTFY-CVSAEHQPSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]C1)c1ccccn1 ZINC000903759467 584796854 /nfs/dbraw/zinc/79/68/54/584796854.db2.gz QAJJHPSUXSUAJH-CHWSQXEVSA-N 2 1 233.359 2.122 20 0 BEADMP CC1CC(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000903743087 584796905 /nfs/dbraw/zinc/79/69/05/584796905.db2.gz IEPBWOKAWSQDSP-LFGDDXOXSA-N 2 1 222.376 2.092 20 0 BEADMP C[N@@H+](C[C@@H]1CC1(C)C)C[C@@H]1CCCC[NH2+]C1 ZINC000903769892 584797743 /nfs/dbraw/zinc/79/77/43/584797743.db2.gz QXQRTESYMMNWKE-OLZOCXBDSA-N 2 1 224.392 2.354 20 0 BEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccccc1CF ZINC000903767213 584798299 /nfs/dbraw/zinc/79/82/99/584798299.db2.gz FSIFYUYSBGDQMF-BXUZGUMPSA-N 2 1 236.334 2.468 20 0 BEADMP NC[C@@]12CC[C@@H]1CCC[N@H+]2CCc1ccccc1 ZINC000903795032 584799099 /nfs/dbraw/zinc/79/90/99/584799099.db2.gz HXXZJBYKJVMXCS-HOTGVXAUSA-N 2 1 244.382 2.432 20 0 BEADMP [NH3+]C[C@@]12CC[C@@H]1CCC[N@H+]2CCc1ccccc1 ZINC000903795032 584799102 /nfs/dbraw/zinc/79/91/02/584799102.db2.gz HXXZJBYKJVMXCS-HOTGVXAUSA-N 2 1 244.382 2.432 20 0 BEADMP C[C@H]1CSCCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903831609 584806326 /nfs/dbraw/zinc/80/63/26/584806326.db2.gz KXEYVSFJAQSKQP-STQMWFEESA-N 2 1 242.432 2.204 20 0 BEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCc1cccs1)C2 ZINC000903843244 584807749 /nfs/dbraw/zinc/80/77/49/584807749.db2.gz GNNGGQSOCBFYNW-TUAOUCFPSA-N 2 1 236.384 2.102 20 0 BEADMP CCCCCC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903849580 584808028 /nfs/dbraw/zinc/80/80/28/584808028.db2.gz DJSHFTZXKZEKQX-STQMWFEESA-N 2 1 210.365 2.380 20 0 BEADMP CCCCCC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903849580 584808029 /nfs/dbraw/zinc/80/80/29/584808029.db2.gz DJSHFTZXKZEKQX-STQMWFEESA-N 2 1 210.365 2.380 20 0 BEADMP CCCCCC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903849577 584808106 /nfs/dbraw/zinc/80/81/06/584808106.db2.gz DJSHFTZXKZEKQX-CHWSQXEVSA-N 2 1 210.365 2.380 20 0 BEADMP CCCCCC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903849577 584808107 /nfs/dbraw/zinc/80/81/07/584808107.db2.gz DJSHFTZXKZEKQX-CHWSQXEVSA-N 2 1 210.365 2.380 20 0 BEADMP Cc1ccc(CC[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903855092 584809039 /nfs/dbraw/zinc/80/90/39/584809039.db2.gz LIFGVQFIMJWEGT-JKSUJKDBSA-N 2 1 244.382 2.351 20 0 BEADMP Cc1ccc(CC[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903855092 584809040 /nfs/dbraw/zinc/80/90/40/584809040.db2.gz LIFGVQFIMJWEGT-JKSUJKDBSA-N 2 1 244.382 2.351 20 0 BEADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CC1CCCCC1 ZINC000903855298 584809523 /nfs/dbraw/zinc/80/95/23/584809523.db2.gz NSCQBAJTEZPAMR-UONOGXRCSA-N 2 1 222.376 2.380 20 0 BEADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CC1CCCCC1 ZINC000903855298 584809524 /nfs/dbraw/zinc/80/95/24/584809524.db2.gz NSCQBAJTEZPAMR-UONOGXRCSA-N 2 1 222.376 2.380 20 0 BEADMP CC(F)(F)CCC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903858136 584809919 /nfs/dbraw/zinc/80/99/19/584809919.db2.gz HFYWIHGNCXIREB-PWSUYJOCSA-N 2 1 232.318 2.235 20 0 BEADMP CC(F)(F)CCC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903858136 584809921 /nfs/dbraw/zinc/80/99/21/584809921.db2.gz HFYWIHGNCXIREB-PWSUYJOCSA-N 2 1 232.318 2.235 20 0 BEADMP CC[C@H](CC(F)F)C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903857360 584810138 /nfs/dbraw/zinc/81/01/38/584810138.db2.gz DKWPIWQFQJAFRP-MDZLAQPJSA-N 2 1 246.345 2.481 20 0 BEADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903857360 584810139 /nfs/dbraw/zinc/81/01/39/584810139.db2.gz DKWPIWQFQJAFRP-MDZLAQPJSA-N 2 1 246.345 2.481 20 0 BEADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCc1cccs1 ZINC000903858800 584811287 /nfs/dbraw/zinc/81/12/87/584811287.db2.gz ZOTZZRRKSZGAOF-WCQYABFASA-N 2 1 236.384 2.104 20 0 BEADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCc1cccs1 ZINC000903858800 584811289 /nfs/dbraw/zinc/81/12/89/584811289.db2.gz ZOTZZRRKSZGAOF-WCQYABFASA-N 2 1 236.384 2.104 20 0 BEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000903861828 584811856 /nfs/dbraw/zinc/81/18/56/584811856.db2.gz YNFHYSUPLXRSNG-UXXRCYHCSA-N 2 1 234.387 2.236 20 0 BEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000903861828 584811858 /nfs/dbraw/zinc/81/18/58/584811858.db2.gz YNFHYSUPLXRSNG-UXXRCYHCSA-N 2 1 234.387 2.236 20 0 BEADMP CCCC(C)(C)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903900157 584820455 /nfs/dbraw/zinc/82/04/55/584820455.db2.gz ZVAKLQSAWKVQMS-MRVPVSSYSA-N 2 1 208.296 2.137 20 0 BEADMP CC(C)([NH2+]C[C@@H]([NH3+])CC(F)F)c1ccccc1 ZINC000903898997 584820757 /nfs/dbraw/zinc/82/07/57/584820757.db2.gz PYRQDOUAPFZTKZ-NSHDSACASA-N 2 1 242.313 2.494 20 0 BEADMP C[C@@H]1CC[C@]2(CC[N@H+](C[C@H]([NH3+])CC(F)F)C2)C1 ZINC000903903578 584821173 /nfs/dbraw/zinc/82/11/73/584821173.db2.gz VWLPCKNEXVLGIH-WZRBSPASSA-N 2 1 246.345 2.481 20 0 BEADMP C[C@@H]1CC[C@]2(CC[N@@H+](C[C@H]([NH3+])CC(F)F)C2)C1 ZINC000903903578 584821175 /nfs/dbraw/zinc/82/11/75/584821175.db2.gz VWLPCKNEXVLGIH-WZRBSPASSA-N 2 1 246.345 2.481 20 0 BEADMP [NH3+][C@@H](CC(F)F)C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000903929153 584824352 /nfs/dbraw/zinc/82/43/52/584824352.db2.gz AZYCGOWJADZVPY-MNOVXSKESA-N 2 1 232.318 2.091 20 0 BEADMP [NH3+][C@@H](CC(F)F)C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000903929154 584824639 /nfs/dbraw/zinc/82/46/39/584824639.db2.gz AZYCGOWJADZVPY-QWRGUYRKSA-N 2 1 232.318 2.091 20 0 BEADMP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903963851 584833761 /nfs/dbraw/zinc/83/37/61/584833761.db2.gz HMQDTGSPXJVCAQ-VNHYZAJKSA-N 2 1 232.371 2.124 20 0 BEADMP C[C@H](C[NH2+][C@@H]1C[NH2+]C[C@H]1C)Cc1ccccc1 ZINC000903964413 584834168 /nfs/dbraw/zinc/83/41/68/584834168.db2.gz PUNJSQHBLVPEIA-GZBFAFLISA-N 2 1 232.371 2.063 20 0 BEADMP CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903965063 584834632 /nfs/dbraw/zinc/83/46/32/584834632.db2.gz YWBVLIOYSYGLDH-VHDGCEQUSA-N 2 1 232.371 2.205 20 0 BEADMP CC(C)[N@@H+](C)C[C@H]([NH3+])CCC(C)(C)C ZINC000904301639 584861197 /nfs/dbraw/zinc/86/11/97/584861197.db2.gz KZUAPSVFJVRRRJ-LLVKDONJSA-N 2 1 200.370 2.480 20 0 BEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000904307928 584863018 /nfs/dbraw/zinc/86/30/18/584863018.db2.gz YZUUQFLOLUVSEI-OWCLPIDISA-N 2 1 244.382 2.431 20 0 BEADMP C[C@@H]1CC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904313456 584863316 /nfs/dbraw/zinc/86/33/16/584863316.db2.gz UOGBKINGXFAPAY-NEPJUHHUSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904313456 584863317 /nfs/dbraw/zinc/86/33/17/584863317.db2.gz UOGBKINGXFAPAY-NEPJUHHUSA-N 2 1 212.381 2.482 20 0 BEADMP C[C@H](c1cccc(O)c1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904320790 584863949 /nfs/dbraw/zinc/86/39/49/584863949.db2.gz PGTYURGJHAXRBS-WZRBSPASSA-N 2 1 234.343 2.122 20 0 BEADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000904322139 584864611 /nfs/dbraw/zinc/86/46/11/584864611.db2.gz PUTNLXFZMAXZTN-GUTXKFCHSA-N 2 1 245.370 2.264 20 0 BEADMP C[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C[C@@H]1CCOC1 ZINC000904326954 584865264 /nfs/dbraw/zinc/86/52/64/584865264.db2.gz UOTZOKFAWBKNDD-QWHCGFSZSA-N 2 1 242.407 2.108 20 0 BEADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H]2CCCC[C@@H]12 ZINC000904330683 584866096 /nfs/dbraw/zinc/86/60/96/584866096.db2.gz AKVGUKXDOOBUCG-DGTMBMJNSA-N 2 1 222.376 2.234 20 0 BEADMP C[C@@H]1C[C@H](c2cccnc2)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904341784 584866977 /nfs/dbraw/zinc/86/69/77/584866977.db2.gz VXVXBZCPKMRNAY-RJZRQDKASA-N 2 1 245.370 2.202 20 0 BEADMP Cc1ccc(C)c(C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904345505 584868620 /nfs/dbraw/zinc/86/86/20/584868620.db2.gz IRDOMRFLYVAAAR-OTVXOJSOSA-N 2 1 232.371 2.473 20 0 BEADMP C[C@@]1(C[N@H+]2CC[C@@H](C3CCC3)C2)CCC[NH2+]C1 ZINC000904372694 584874088 /nfs/dbraw/zinc/87/40/88/584874088.db2.gz GRIGVQYNELRCEF-HUUCEWRRSA-N 2 1 236.403 2.498 20 0 BEADMP C[N@@H+](C[C@H]1CC1(C)C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904378497 584876103 /nfs/dbraw/zinc/87/61/03/584876103.db2.gz DVBXQPRSLZWICC-OCCSQVGLSA-N 2 1 224.392 2.354 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000904406509 584878291 /nfs/dbraw/zinc/87/82/91/584878291.db2.gz XMZPOFUAJMLHHK-KBMXLJTQSA-N 2 1 244.382 2.461 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)s1 ZINC000904412778 584879771 /nfs/dbraw/zinc/87/97/71/584879771.db2.gz XPOVGVRLOZEMHS-JQWIXIFHSA-N 2 1 238.400 2.473 20 0 BEADMP C[C@H]1C[N@@H+](Cc2cccs2)CC[C@@H]1C[NH3+] ZINC000904412844 584879930 /nfs/dbraw/zinc/87/99/30/584879930.db2.gz XTGVCKCWFCJMGY-WDEREUQCSA-N 2 1 224.373 2.165 20 0 BEADMP Cc1cc(F)ccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420591 584882408 /nfs/dbraw/zinc/88/24/08/584882408.db2.gz ATYNHAQQWJZAGV-UONOGXRCSA-N 2 1 248.345 2.175 20 0 BEADMP CSCCCCCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000817921848 584991217 /nfs/dbraw/zinc/99/12/17/584991217.db2.gz JBQPJKGZGABRKG-OLZOCXBDSA-N 2 1 244.448 2.497 20 0 BEADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(O)cc1 ZINC000685470095 585021711 /nfs/dbraw/zinc/02/17/11/585021711.db2.gz UPZOGQPCBSUKNY-IUODEOHRSA-N 2 1 248.370 2.164 20 0 BEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(O)cc1 ZINC000685470095 585021712 /nfs/dbraw/zinc/02/17/12/585021712.db2.gz UPZOGQPCBSUKNY-IUODEOHRSA-N 2 1 248.370 2.164 20 0 BEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(O)cc1 ZINC000685470095 585021713 /nfs/dbraw/zinc/02/17/13/585021713.db2.gz UPZOGQPCBSUKNY-IUODEOHRSA-N 2 1 248.370 2.164 20 0 BEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(O)cc1 ZINC000685470095 585021714 /nfs/dbraw/zinc/02/17/14/585021714.db2.gz UPZOGQPCBSUKNY-IUODEOHRSA-N 2 1 248.370 2.164 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccoc1 ZINC000742374092 585125185 /nfs/dbraw/zinc/12/51/85/585125185.db2.gz YJCMLBWNMLJFKX-UHFFFAOYSA-N 2 1 233.315 2.355 20 0 BEADMP CN(Cc1ccoc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000768545934 585539989 /nfs/dbraw/zinc/53/99/89/585539989.db2.gz GMQGWXXKUARCHY-LBPRGKRZSA-N 2 1 222.332 2.053 20 0 BEADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000774988685 585669977 /nfs/dbraw/zinc/66/99/77/585669977.db2.gz FNNIGHGXKYCZPY-KGLIPLIRSA-N 2 1 238.375 2.001 20 0 BEADMP C[C@H](CCO)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000779341419 585751696 /nfs/dbraw/zinc/75/16/96/585751696.db2.gz MLIORNHSTDKUFO-ZIAGYGMSSA-N 2 1 242.407 2.002 20 0 BEADMP C[C@@H](CCO)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000779341416 585751823 /nfs/dbraw/zinc/75/18/23/585751823.db2.gz MLIORNHSTDKUFO-KBPBESRZSA-N 2 1 242.407 2.002 20 0 BEADMP CCc1cc(NCC[N@H+]2CCC[C@@H]2C)nc(C)n1 ZINC000782148161 585808577 /nfs/dbraw/zinc/80/85/77/585808577.db2.gz LBMIVFRHNKSIQF-NSHDSACASA-N 2 1 248.374 2.244 20 0 BEADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C2CC2)C1 ZINC000782191548 585811362 /nfs/dbraw/zinc/81/13/62/585811362.db2.gz XAVGKFIIMJSRHD-RYUDHWBXSA-N 2 1 210.365 2.059 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C2CC2)C1 ZINC000782191548 585811363 /nfs/dbraw/zinc/81/13/63/585811363.db2.gz XAVGKFIIMJSRHD-RYUDHWBXSA-N 2 1 210.365 2.059 20 0 BEADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C2CC2)C1 ZINC000782191548 585811364 /nfs/dbraw/zinc/81/13/64/585811364.db2.gz XAVGKFIIMJSRHD-RYUDHWBXSA-N 2 1 210.365 2.059 20 0 BEADMP C[C@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000788471093 585925159 /nfs/dbraw/zinc/92/51/59/585925159.db2.gz UEYGHDUUEWYJHY-LBPRGKRZSA-N 2 1 210.365 2.203 20 0 BEADMP C[C@@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000788471091 585925187 /nfs/dbraw/zinc/92/51/87/585925187.db2.gz UEYGHDUUEWYJHY-GFCCVEGCSA-N 2 1 210.365 2.203 20 0 BEADMP C[N@@H+](CC1CC[NH+](C)CC1)C(C1CC1)C1CC1 ZINC000788476657 585925341 /nfs/dbraw/zinc/92/53/41/585925341.db2.gz SEUDBRJCFFFYMB-UHFFFAOYSA-N 2 1 236.403 2.449 20 0 BEADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC000809756113 586517705 /nfs/dbraw/zinc/51/77/05/586517705.db2.gz PXESPSWXOGXBDW-HNNXBMFYSA-N 2 1 248.370 2.443 20 0 BEADMP CCC(CC)(C[NH2+][C@H]1C[NH2+]CC[C@H]1C)SC ZINC000817900543 586835941 /nfs/dbraw/zinc/83/59/41/586835941.db2.gz PTIJLJWLEVHQFO-NEPJUHHUSA-N 2 1 244.448 2.496 20 0 BEADMP CCN(C)c1ccccc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000817902277 586836098 /nfs/dbraw/zinc/83/60/98/586836098.db2.gz MGVOACJFJVORJH-KGLIPLIRSA-N 2 1 247.386 2.112 20 0 BEADMP CC[C@H]([NH2+]CCNc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000817900482 586836434 /nfs/dbraw/zinc/83/64/34/586836434.db2.gz NABCFJGNNSPJOK-GJZGRUSLSA-N 2 1 247.386 2.219 20 0 BEADMP C[C@H]([NH2+]CCC1CCC1)c1c[nH+]ccc1N ZINC000817906948 586837596 /nfs/dbraw/zinc/83/75/96/586837596.db2.gz HZEWHTJQGRWVIN-JTQLQIEISA-N 2 1 219.332 2.335 20 0 BEADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Cl)nc1 ZINC000817924394 586841453 /nfs/dbraw/zinc/84/14/53/586841453.db2.gz WJUUYVCWQCTPJM-VIFPVBQESA-N 2 1 239.750 2.138 20 0 BEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000817943652 586846157 /nfs/dbraw/zinc/84/61/57/586846157.db2.gz QKNYHTYKUFKKPK-JTQLQIEISA-N 2 1 241.766 2.385 20 0 BEADMP CCOc1cccc([C@H](C)[NH2+]CC(C)(C)[NH3+])c1 ZINC000817959970 586851275 /nfs/dbraw/zinc/85/12/75/586851275.db2.gz JEFMBTXXEFLPGT-NSHDSACASA-N 2 1 236.359 2.473 20 0 BEADMP C[C@H](CSC(C)(C)C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000817959567 586851280 /nfs/dbraw/zinc/85/12/80/586851280.db2.gz GZZUJWJXEFIZLN-MWLCHTKSSA-N 2 1 230.421 2.234 20 0 BEADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccnc(Cl)c1 ZINC000817959963 586851978 /nfs/dbraw/zinc/85/19/78/586851978.db2.gz INKLQZKVTFYSKB-MRVPVSSYSA-N 2 1 227.739 2.123 20 0 BEADMP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC000817966068 586854869 /nfs/dbraw/zinc/85/48/69/586854869.db2.gz FPZKJTOTKURZOE-NXEZZACHSA-N 2 1 210.296 2.132 20 0 BEADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000817969637 586856455 /nfs/dbraw/zinc/85/64/55/586856455.db2.gz FPZKJTOTKURZOE-UWVGGRQHSA-N 2 1 210.296 2.132 20 0 BEADMP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000817973513 586859949 /nfs/dbraw/zinc/85/99/49/586859949.db2.gz UQMXLJZBDOZWAO-ZJUUUORDSA-N 2 1 210.296 2.132 20 0 BEADMP Clc1ccc(C[N@@H+]2CCc3nc[nH]c3C2)cn1 ZINC000821272830 587104772 /nfs/dbraw/zinc/10/47/72/587104772.db2.gz ZBPVYRAGJOBZGY-UHFFFAOYSA-N 2 1 248.717 2.016 20 0 BEADMP Clc1ccc(C[N@H+]2CCc3nc[nH]c3C2)cn1 ZINC000821272830 587104773 /nfs/dbraw/zinc/10/47/73/587104773.db2.gz ZBPVYRAGJOBZGY-UHFFFAOYSA-N 2 1 248.717 2.016 20 0 BEADMP [NH3+]C[C@H]([NH2+]Cc1cnc2ccccc2c1)C1CC1 ZINC000841028254 587936134 /nfs/dbraw/zinc/93/61/34/587936134.db2.gz NUUKQYRZELTRPO-HNNXBMFYSA-N 2 1 241.338 2.062 20 0 BEADMP [NH3+][C@@H](C[NH2+]Cc1cncc2ccccc21)C1CC1 ZINC000841050735 587939655 /nfs/dbraw/zinc/93/96/55/587939655.db2.gz SUCHAXCEEUNOPD-HNNXBMFYSA-N 2 1 241.338 2.062 20 0 BEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cncc2ccccc21 ZINC000841076732 587944365 /nfs/dbraw/zinc/94/43/65/587944365.db2.gz NIKLTQSTDDILIP-QWRGUYRKSA-N 2 1 229.327 2.060 20 0 BEADMP CC[C@H]([NH3+])C[NH2+]Cc1cncc2ccccc21 ZINC000841072542 587944484 /nfs/dbraw/zinc/94/44/84/587944484.db2.gz PDZVGMJCCCQDGF-ZDUSSCGKSA-N 2 1 229.327 2.062 20 0 BEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc2c(c1)COC2 ZINC000841088160 587945998 /nfs/dbraw/zinc/94/59/98/587945998.db2.gz ZFBVHNVYWBQPMN-AWEZNQCLSA-N 2 1 248.370 2.180 20 0 BEADMP [NH3+]CCCCCCC[N@H+]1CCOC[C@H]1C1CC1 ZINC000842475983 588029558 /nfs/dbraw/zinc/02/95/58/588029558.db2.gz CPUSAXZDHWDGAR-AWEZNQCLSA-N 2 1 240.391 2.006 20 0 BEADMP [NH3+]CCCCCCC[N@H+]1CCOC[C@@H]1C1CC1 ZINC000842475984 588029932 /nfs/dbraw/zinc/02/99/32/588029932.db2.gz CPUSAXZDHWDGAR-CQSZACIVSA-N 2 1 240.391 2.006 20 0 BEADMP CC1([NH3+])CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000843103725 588081871 /nfs/dbraw/zinc/08/18/71/588081871.db2.gz BRZBVYJRSGIQTN-UHFFFAOYSA-N 2 1 246.354 2.030 20 0 BEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C/C=C/Cl ZINC000846219472 588260630 /nfs/dbraw/zinc/26/06/30/588260630.db2.gz BJVBAZDIWULMIU-HFYMGGNWSA-N 2 1 214.740 2.083 20 0 BEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C/C=C/Cl ZINC000846219472 588260631 /nfs/dbraw/zinc/26/06/31/588260631.db2.gz BJVBAZDIWULMIU-HFYMGGNWSA-N 2 1 214.740 2.083 20 0 BEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc2c(c1)COC2 ZINC000846699881 588283399 /nfs/dbraw/zinc/28/33/99/588283399.db2.gz YBKFBJUEHSMURG-XHDPSFHLSA-N 2 1 246.354 2.028 20 0 BEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc2c(c1)COC2 ZINC000846699873 588283444 /nfs/dbraw/zinc/28/34/44/588283444.db2.gz YBKFBJUEHSMURG-ABAIWWIYSA-N 2 1 246.354 2.028 20 0 BEADMP C[C@H]1C[C@H]1C(N)=[NH+]OCCC[NH+]1CCCCC1 ZINC000848516927 588389934 /nfs/dbraw/zinc/38/99/34/588389934.db2.gz BKURCJPKWXQFEX-NWDGAFQWSA-N 2 1 239.363 2.017 20 0 BEADMP C(CC1CCC1)C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852750677 588700165 /nfs/dbraw/zinc/70/01/65/588700165.db2.gz BZYGFEXHLPDGCA-AWEZNQCLSA-N 2 1 222.376 2.395 20 0 BEADMP C(CC1CCC1)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852750677 588700166 /nfs/dbraw/zinc/70/01/66/588700166.db2.gz BZYGFEXHLPDGCA-AWEZNQCLSA-N 2 1 222.376 2.395 20 0 BEADMP C(C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)C1CCC1 ZINC000852750660 588700264 /nfs/dbraw/zinc/70/02/64/588700264.db2.gz BKDVCNDQFMNXKJ-ZDUSSCGKSA-N 2 1 208.349 2.005 20 0 BEADMP C(C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)C1CCC1 ZINC000852750660 588700265 /nfs/dbraw/zinc/70/02/65/588700265.db2.gz BKDVCNDQFMNXKJ-ZDUSSCGKSA-N 2 1 208.349 2.005 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000852760476 588700642 /nfs/dbraw/zinc/70/06/42/588700642.db2.gz GKDLDALETVAZNQ-AWEZNQCLSA-N 2 1 240.391 2.008 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000852760477 588700689 /nfs/dbraw/zinc/70/06/89/588700689.db2.gz GKDLDALETVAZNQ-CQSZACIVSA-N 2 1 240.391 2.008 20 0 BEADMP CC12CC(C1)C[N@H+]2CCCCCCC[NH3+] ZINC000852763046 588701060 /nfs/dbraw/zinc/70/10/60/588701060.db2.gz FPCOBLMRXMPRET-UHFFFAOYSA-N 2 1 210.365 2.380 20 0 BEADMP C[C@H]([NH3+])C[N@@H+](C)CC[C@@H]1CCC[C@@H](C)C1 ZINC000863567084 589299470 /nfs/dbraw/zinc/29/94/70/589299470.db2.gz AXNAUSJGABEUBV-AGIUHOORSA-N 2 1 212.381 2.482 20 0 BEADMP CS[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000865733258 589459186 /nfs/dbraw/zinc/45/91/86/589459186.db2.gz GSQRQQHTWZHUQP-CYDGBPFRSA-N 2 1 240.416 2.097 20 0 BEADMP CC(C)C[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866585150 589501963 /nfs/dbraw/zinc/50/19/63/589501963.db2.gz UMEMHDSUFDSGAE-MELADBBJSA-N 2 1 224.392 2.447 20 0 BEADMP CC(C)C[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866585150 589501964 /nfs/dbraw/zinc/50/19/64/589501964.db2.gz UMEMHDSUFDSGAE-MELADBBJSA-N 2 1 224.392 2.447 20 0 BEADMP CC(C)C[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866585150 589501965 /nfs/dbraw/zinc/50/19/65/589501965.db2.gz UMEMHDSUFDSGAE-MELADBBJSA-N 2 1 224.392 2.447 20 0 BEADMP CC(C)C[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866585150 589501966 /nfs/dbraw/zinc/50/19/66/589501966.db2.gz UMEMHDSUFDSGAE-MELADBBJSA-N 2 1 224.392 2.447 20 0 BEADMP C(CC1CC1)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000866665834 589509468 /nfs/dbraw/zinc/50/94/68/589509468.db2.gz IKVXVEQVBAKNSF-AWEZNQCLSA-N 2 1 222.376 2.252 20 0 BEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCCC1CC1 ZINC000866665630 589509799 /nfs/dbraw/zinc/50/97/99/589509799.db2.gz FVEUYONXFUYWKM-NQBHXWOUSA-N 2 1 210.365 2.153 20 0 BEADMP [NH3+]CCCCCC[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000866704866 589513869 /nfs/dbraw/zinc/51/38/69/589513869.db2.gz ZAFAXPRKSYZRKG-OLZOCXBDSA-N 2 1 242.432 2.190 20 0 BEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC2CC2)C1 ZINC000866709337 589514253 /nfs/dbraw/zinc/51/42/53/589514253.db2.gz WLLPYBLUEKSGOM-ZDUSSCGKSA-N 2 1 210.365 2.093 20 0 BEADMP CCOCCC[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705531 589514309 /nfs/dbraw/zinc/51/43/09/589514309.db2.gz BVKZNHWTVNIJID-AWEZNQCLSA-N 2 1 242.407 2.110 20 0 BEADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866706702 589514328 /nfs/dbraw/zinc/51/43/28/589514328.db2.gz CBRCWGPTCHANEN-MBNYWOFBSA-N 2 1 224.392 2.339 20 0 BEADMP CC(C)=CCC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866722693 589515517 /nfs/dbraw/zinc/51/55/17/589515517.db2.gz CDTIXGXGMBXAND-QWHCGFSZSA-N 2 1 208.349 2.169 20 0 BEADMP CC(C)=CCC[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866722693 589515519 /nfs/dbraw/zinc/51/55/19/589515519.db2.gz CDTIXGXGMBXAND-QWHCGFSZSA-N 2 1 208.349 2.169 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866726316 589516344 /nfs/dbraw/zinc/51/63/44/589516344.db2.gz YRZBNYHVACDMBS-MRLBHPIUSA-N 2 1 234.387 2.249 20 0 BEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866726316 589516345 /nfs/dbraw/zinc/51/63/45/589516345.db2.gz YRZBNYHVACDMBS-MRLBHPIUSA-N 2 1 234.387 2.249 20 0 BEADMP CC(C)([NH3+])C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872257566 589901645 /nfs/dbraw/zinc/90/16/45/589901645.db2.gz TVIQUBNDECWVCI-CYBMUJFWSA-N 2 1 240.391 2.147 20 0 BEADMP Cn1ccc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000873223923 590000317 /nfs/dbraw/zinc/00/03/17/590000317.db2.gz UUWGTQXMCJSUGW-HNNXBMFYSA-N 2 1 249.402 2.222 20 0 BEADMP CC(C)([NH3+])C[N@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000873226874 590000654 /nfs/dbraw/zinc/00/06/54/590000654.db2.gz CUGGEASLSNVCDP-INIZCTEOSA-N 2 1 244.382 2.314 20 0 BEADMP CC1(C)CC[C@@H](C[NH2+]C2CCSCC2)[NH2+]C1 ZINC000873235873 590004029 /nfs/dbraw/zinc/00/40/29/590004029.db2.gz TVCPVLDRKMYTFY-LBPRGKRZSA-N 2 1 242.432 2.250 20 0 BEADMP CC1(C)CC[C@@H](C[NH2+][C@@H]2CCCSC2)[NH2+]C1 ZINC000873236738 590004811 /nfs/dbraw/zinc/00/48/11/590004811.db2.gz JJWQAMFSIAAJOD-NWDGAFQWSA-N 2 1 242.432 2.250 20 0 BEADMP COC[C@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)C(C)C ZINC000873234210 590004960 /nfs/dbraw/zinc/00/49/60/590004960.db2.gz DIYJRHMECVLBDF-STQMWFEESA-N 2 1 242.407 2.025 20 0 BEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCCC1CC1 ZINC000873253233 590009573 /nfs/dbraw/zinc/00/95/73/590009573.db2.gz VKCVMAYAJDMOQM-WCQYABFASA-N 2 1 210.365 2.154 20 0 BEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)C(C)(F)F ZINC000873253149 590009774 /nfs/dbraw/zinc/00/97/74/590009774.db2.gz UMYAYTPPYCUPJB-UWVGGRQHSA-N 2 1 234.334 2.255 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC[C@@H]1C=CCC1 ZINC000873283033 590019513 /nfs/dbraw/zinc/01/95/13/590019513.db2.gz YLHGYVWQIBUJBX-MCIONIFRSA-N 2 1 222.376 2.320 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccs3)CC[C@H]21 ZINC000877742523 590408729 /nfs/dbraw/zinc/40/87/29/590408729.db2.gz DQLQQURZVXIWOY-DGCLKSJQSA-N 2 1 236.384 2.274 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccs3)CC[C@H]21 ZINC000877742523 590408731 /nfs/dbraw/zinc/40/87/31/590408731.db2.gz DQLQQURZVXIWOY-DGCLKSJQSA-N 2 1 236.384 2.274 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccs3)CC[C@H]21 ZINC000877742523 590408734 /nfs/dbraw/zinc/40/87/34/590408734.db2.gz DQLQQURZVXIWOY-DGCLKSJQSA-N 2 1 236.384 2.274 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccs3)CC[C@H]21 ZINC000877742523 590408736 /nfs/dbraw/zinc/40/87/36/590408736.db2.gz DQLQQURZVXIWOY-DGCLKSJQSA-N 2 1 236.384 2.274 20 0 BEADMP CC[C@H](C)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877742961 590409130 /nfs/dbraw/zinc/40/91/30/590409130.db2.gz SHYKWBFDSJOVBK-YNEHKIRRSA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@H](C)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877742961 590409133 /nfs/dbraw/zinc/40/91/33/590409133.db2.gz SHYKWBFDSJOVBK-YNEHKIRRSA-N 2 1 210.365 2.059 20 0 BEADMP CC[C@H](C)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877742961 590409135 /nfs/dbraw/zinc/40/91/35/590409135.db2.gz SHYKWBFDSJOVBK-YNEHKIRRSA-N 2 1 210.365 2.059 20 0 BEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCC2CC2)C1 ZINC000878104828 590495321 /nfs/dbraw/zinc/49/53/21/590495321.db2.gz QHXMKYABYXUKHE-ZDUSSCGKSA-N 2 1 210.365 2.060 20 0 BEADMP CC/C=C/CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879582308 590821229 /nfs/dbraw/zinc/82/12/29/590821229.db2.gz RJLDTEJXDQGFKO-KOABKASLSA-N 2 1 222.376 2.369 20 0 BEADMP CC/C=C/CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879582308 590821233 /nfs/dbraw/zinc/82/12/33/590821233.db2.gz RJLDTEJXDQGFKO-KOABKASLSA-N 2 1 222.376 2.369 20 0 BEADMP CC/C=C/CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879582308 590821236 /nfs/dbraw/zinc/82/12/36/590821236.db2.gz RJLDTEJXDQGFKO-KOABKASLSA-N 2 1 222.376 2.369 20 0 BEADMP CC/C=C/CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879582308 590821242 /nfs/dbraw/zinc/82/12/42/590821242.db2.gz RJLDTEJXDQGFKO-KOABKASLSA-N 2 1 222.376 2.369 20 0 BEADMP C=C/C=C\CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580324 590822172 /nfs/dbraw/zinc/82/21/72/590822172.db2.gz SLLDLCNTJBZXSU-OQOSRZTISA-N 2 1 220.360 2.145 20 0 BEADMP C=C/C=C\CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580324 590822174 /nfs/dbraw/zinc/82/21/74/590822174.db2.gz SLLDLCNTJBZXSU-OQOSRZTISA-N 2 1 220.360 2.145 20 0 BEADMP C=C/C=C\CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580324 590822177 /nfs/dbraw/zinc/82/21/77/590822177.db2.gz SLLDLCNTJBZXSU-OQOSRZTISA-N 2 1 220.360 2.145 20 0 BEADMP C=C/C=C\CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580324 590822181 /nfs/dbraw/zinc/82/21/81/590822181.db2.gz SLLDLCNTJBZXSU-OQOSRZTISA-N 2 1 220.360 2.145 20 0 BEADMP CC(C)=CCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580569 590822801 /nfs/dbraw/zinc/82/28/01/590822801.db2.gz UEJIFKYVDXAQQZ-KBPBESRZSA-N 2 1 222.376 2.369 20 0 BEADMP CC(C)=CCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580569 590822802 /nfs/dbraw/zinc/82/28/02/590822802.db2.gz UEJIFKYVDXAQQZ-KBPBESRZSA-N 2 1 222.376 2.369 20 0 BEADMP CC(C)=CCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580569 590822805 /nfs/dbraw/zinc/82/28/05/590822805.db2.gz UEJIFKYVDXAQQZ-KBPBESRZSA-N 2 1 222.376 2.369 20 0 BEADMP CC(C)=CCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580569 590822807 /nfs/dbraw/zinc/82/28/07/590822807.db2.gz UEJIFKYVDXAQQZ-KBPBESRZSA-N 2 1 222.376 2.369 20 0 BEADMP Cc1ccc(CN2CC[C@H]3[C@H]2CCC[N@@H+]3C)nc1 ZINC000880138550 590940235 /nfs/dbraw/zinc/94/02/35/590940235.db2.gz YJCCXXNXWBVLRS-LSDHHAIUSA-N 2 1 245.370 2.059 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCCN3C)nc1 ZINC000880138550 590940238 /nfs/dbraw/zinc/94/02/38/590940238.db2.gz YJCCXXNXWBVLRS-LSDHHAIUSA-N 2 1 245.370 2.059 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C)nc1 ZINC000880138550 590940240 /nfs/dbraw/zinc/94/02/40/590940240.db2.gz YJCCXXNXWBVLRS-LSDHHAIUSA-N 2 1 245.370 2.059 20 0 BEADMP Cc1ccc(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)nc1 ZINC000880138547 590940847 /nfs/dbraw/zinc/94/08/47/590940847.db2.gz YJCCXXNXWBVLRS-CABCVRRESA-N 2 1 245.370 2.059 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C)nc1 ZINC000880138547 590940849 /nfs/dbraw/zinc/94/08/49/590940849.db2.gz YJCCXXNXWBVLRS-CABCVRRESA-N 2 1 245.370 2.059 20 0 BEADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C)nc1 ZINC000880138547 590940851 /nfs/dbraw/zinc/94/08/51/590940851.db2.gz YJCCXXNXWBVLRS-CABCVRRESA-N 2 1 245.370 2.059 20 0 BEADMP CC[NH+](CC)CCC[N@@H+](C)C1(COC)CCC1 ZINC000880185588 590954661 /nfs/dbraw/zinc/95/46/61/590954661.db2.gz VLXMPAQRYHYKTO-UHFFFAOYSA-N 2 1 242.407 2.219 20 0 BEADMP CC[NH+](CC)CCC[NH+]1CCC(F)CC1 ZINC000880240151 590973726 /nfs/dbraw/zinc/97/37/26/590973726.db2.gz NJVAIFSFENFXAE-UHFFFAOYSA-N 2 1 216.344 2.152 20 0 BEADMP C[C@H]1C[N@@H+](CC2CCC2)CCN1c1cc[nH+]cc1 ZINC000880259089 590978705 /nfs/dbraw/zinc/97/87/05/590978705.db2.gz MKHNKCYSTJKYHC-ZDUSSCGKSA-N 2 1 245.370 2.392 20 0 BEADMP CCC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880262450 590981010 /nfs/dbraw/zinc/98/10/10/590981010.db2.gz ZSKBWWGAGYOBCQ-LBPRGKRZSA-N 2 1 219.332 2.002 20 0 BEADMP Cc1cccc(N2CCC(C)([NH+]3CCC3)CC2)[nH+]1 ZINC000882963642 591487616 /nfs/dbraw/zinc/48/76/16/591487616.db2.gz FHMWXMJHYDUDLV-UHFFFAOYSA-N 2 1 245.370 2.455 20 0 BEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2coc3ccccc23)C1 ZINC000131030693 591542395 /nfs/dbraw/zinc/54/23/95/591542395.db2.gz QCLXBQJIMLRZGB-NSHDSACASA-N 2 1 230.311 2.213 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1C=CCC1 ZINC000883238232 591583696 /nfs/dbraw/zinc/58/36/96/591583696.db2.gz WNAZKVSXYWSWCY-GFCCVEGCSA-N 2 1 231.343 2.203 20 0 BEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1C=CCC1 ZINC000883238233 591584015 /nfs/dbraw/zinc/58/40/15/591584015.db2.gz WNAZKVSXYWSWCY-LBPRGKRZSA-N 2 1 231.343 2.203 20 0 BEADMP C[N@@H+](CCC[NH3+])C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000883418098 591653897 /nfs/dbraw/zinc/65/38/97/591653897.db2.gz XDOVLWWUAPEBEN-GJZGRUSLSA-N 2 1 248.370 2.187 20 0 BEADMP C[N@@H+](CCC[NH3+])C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000883418099 591654659 /nfs/dbraw/zinc/65/46/59/591654659.db2.gz XDOVLWWUAPEBEN-HUUCEWRRSA-N 2 1 248.370 2.187 20 0 BEADMP C=C/C=C/CC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000883424622 591658350 /nfs/dbraw/zinc/65/83/50/591658350.db2.gz YCNLGTBRHWSFPZ-ONEGZZNKSA-N 2 1 220.360 2.194 20 0 BEADMP C=C/C=C/CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000883429909 591661866 /nfs/dbraw/zinc/66/18/66/591661866.db2.gz HZRJEFBBPYKIBK-RDFMZFSFSA-N 2 1 220.360 2.194 20 0 BEADMP CSCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000134022958 591875269 /nfs/dbraw/zinc/87/52/69/591875269.db2.gz ZRVXCJCKIIBMDI-SDDRHHMPSA-N 2 1 230.421 2.200 20 0 BEADMP CSCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000134022958 591875271 /nfs/dbraw/zinc/87/52/71/591875271.db2.gz ZRVXCJCKIIBMDI-SDDRHHMPSA-N 2 1 230.421 2.200 20 0 BEADMP CCc1nccc(NC[C@H]2CCCC[N@@H+](C)C2)n1 ZINC000884564902 591982548 /nfs/dbraw/zinc/98/25/48/591982548.db2.gz UJGQFHQUSYLSLJ-GFCCVEGCSA-N 2 1 248.374 2.183 20 0 BEADMP Cc1coc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000886142508 592163004 /nfs/dbraw/zinc/16/30/04/592163004.db2.gz DRDDWUTWAYEQBX-CYBMUJFWSA-N 2 1 236.359 2.410 20 0 BEADMP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@@H]3C[C@H]3C3CC3)CC[C@H]21 ZINC000886310039 592205232 /nfs/dbraw/zinc/20/52/32/592205232.db2.gz CDPUMNHQOMHXGD-LVQVYYBASA-N 2 1 248.414 2.449 20 0 BEADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@@H]3C[C@H]3C3CC3)CC[C@H]21 ZINC000886310039 592205234 /nfs/dbraw/zinc/20/52/34/592205234.db2.gz CDPUMNHQOMHXGD-LVQVYYBASA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@@H]3C[C@H]3C3CC3)CC[C@H]21 ZINC000886310039 592205236 /nfs/dbraw/zinc/20/52/36/592205236.db2.gz CDPUMNHQOMHXGD-LVQVYYBASA-N 2 1 248.414 2.449 20 0 BEADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@@H]3C[C@H]3C3CC3)CC[C@H]21 ZINC000886310039 592205239 /nfs/dbraw/zinc/20/52/39/592205239.db2.gz CDPUMNHQOMHXGD-LVQVYYBASA-N 2 1 248.414 2.449 20 0 BEADMP CCC1([NH+]2CCC2)CC[NH+](CCSC)CC1 ZINC000886709223 592308236 /nfs/dbraw/zinc/30/82/36/592308236.db2.gz MTBWMLMEUBACAQ-UHFFFAOYSA-N 2 1 242.432 2.300 20 0 BEADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCSC(F)(F)F ZINC000886829594 592350953 /nfs/dbraw/zinc/35/09/53/592350953.db2.gz CYVVZNPQVGTDCR-QMMMGPOBSA-N 2 1 244.326 2.202 20 0 BEADMP C(C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000886840204 592360593 /nfs/dbraw/zinc/36/05/93/592360593.db2.gz WJMSHOVGDLWKSO-QLFBSQMISA-N 2 1 234.387 2.251 20 0 BEADMP C(C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000886840204 592360595 /nfs/dbraw/zinc/36/05/95/592360595.db2.gz WJMSHOVGDLWKSO-QLFBSQMISA-N 2 1 234.387 2.251 20 0 BEADMP C[C@@H]1CC[N@H+](CC[NH3+])[C@H]1c1ccccc1 ZINC000886858385 592370587 /nfs/dbraw/zinc/37/05/87/592370587.db2.gz YRWINTXGRFPHCI-DGCLKSJQSA-N 2 1 204.317 2.028 20 0 BEADMP C[C@@H]1CC[N@@H+](CC[NH3+])[C@H]1c1ccccc1 ZINC000886858385 592370589 /nfs/dbraw/zinc/37/05/89/592370589.db2.gz YRWINTXGRFPHCI-DGCLKSJQSA-N 2 1 204.317 2.028 20 0 BEADMP CC[C@@H](CC(C)C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246540989 987913104 /nfs/dbraw/zinc/91/31/04/987913104.db2.gz LITKAQKPZYYPBP-XQQFMLRXSA-N 2 1 212.381 2.338 20 0 BEADMP C[C@H]([NH3+])[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1 ZINC000925708574 634401475 /nfs/dbraw/zinc/40/14/75/634401475.db2.gz RSMJERKERMMFTG-XKNKYKOPSA-N 2 1 230.355 2.463 20 0 BEADMP Cc1ccccc1C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000257726516 634481448 /nfs/dbraw/zinc/48/14/48/634481448.db2.gz WLLPCQHZLRQESA-OAHLLOKOSA-N 2 1 230.355 2.323 20 0 BEADMP Cc1ccccc1C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000257726516 634481457 /nfs/dbraw/zinc/48/14/57/634481457.db2.gz WLLPCQHZLRQESA-OAHLLOKOSA-N 2 1 230.355 2.323 20 0 BEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000125510772 634525524 /nfs/dbraw/zinc/52/55/24/634525524.db2.gz KMFXUTQRKPQGMA-ZDUSSCGKSA-N 2 1 244.382 2.346 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000931545808 634577620 /nfs/dbraw/zinc/57/76/20/634577620.db2.gz GJPZUCFKFZDNSZ-ZOBORPQBSA-N 2 1 222.376 2.059 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000931545808 634577627 /nfs/dbraw/zinc/57/76/27/634577627.db2.gz GJPZUCFKFZDNSZ-ZOBORPQBSA-N 2 1 222.376 2.059 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000931545808 634577633 /nfs/dbraw/zinc/57/76/33/634577633.db2.gz GJPZUCFKFZDNSZ-ZOBORPQBSA-N 2 1 222.376 2.059 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000931545808 634577640 /nfs/dbraw/zinc/57/76/40/634577640.db2.gz GJPZUCFKFZDNSZ-ZOBORPQBSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000925733409 634579074 /nfs/dbraw/zinc/57/90/74/634579074.db2.gz IOJAWUNQCJVQOR-YPMHNXCESA-N 2 1 222.376 2.297 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCCc2cccnc21)[C@@H]1CC[NH2+]C1 ZINC000925872161 635588364 /nfs/dbraw/zinc/58/83/64/635588364.db2.gz QGAKDFUDTPMDPK-IACUBPJLSA-N 2 1 245.370 2.047 20 0 BEADMP C[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)[C@H]1C ZINC000892212798 631786982 /nfs/dbraw/zinc/78/69/82/631786982.db2.gz UMCXTCYVOLKYRG-RYUDHWBXSA-N 2 1 210.365 2.059 20 0 BEADMP CC(C)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000051919294 632012241 /nfs/dbraw/zinc/01/22/41/632012241.db2.gz QBQBCYJTPABAKJ-ZDUSSCGKSA-N 2 1 224.392 2.497 20 0 BEADMP C[C@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000251718967 635706508 /nfs/dbraw/zinc/70/65/08/635706508.db2.gz PPDICNYAKYCLDD-FUDCBSFHSA-N 2 1 222.376 2.249 20 0 BEADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+]CC(C)C ZINC000052447351 632412103 /nfs/dbraw/zinc/41/21/03/632412103.db2.gz XTXJBKMMWWPFGI-ZDUSSCGKSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@H]1CCCC[N@H+]1CC[NH2+]CC(C)C ZINC000052447351 632412107 /nfs/dbraw/zinc/41/21/07/632412107.db2.gz XTXJBKMMWWPFGI-ZDUSSCGKSA-N 2 1 212.381 2.497 20 0 BEADMP CC(C)[C@@H](C)[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000219755026 632565312 /nfs/dbraw/zinc/56/53/12/632565312.db2.gz POZKBXFBYCFORJ-OLZOCXBDSA-N 2 1 212.381 2.352 20 0 BEADMP CC[C@@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000219755970 632565641 /nfs/dbraw/zinc/56/56/41/632565641.db2.gz XBYYMBDUUDYABM-KGLIPLIRSA-N 2 1 224.392 2.498 20 0 BEADMP CSC1CC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000926571715 632569486 /nfs/dbraw/zinc/56/94/86/632569486.db2.gz AUGJBMXUFGNBMT-HIFPTAJRSA-N 2 1 242.432 2.202 20 0 BEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1(Cl)CC1 ZINC000926573779 632570964 /nfs/dbraw/zinc/57/09/64/632570964.db2.gz QBVPQSPIFUDYCR-NWDGAFQWSA-N 2 1 244.810 2.468 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000235263699 632591895 /nfs/dbraw/zinc/59/18/95/632591895.db2.gz WXYHQOUBTSAQGF-SNPRPXQTSA-N 2 1 236.403 2.497 20 0 BEADMP Cc1ccc(C)c(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000235343861 632675365 /nfs/dbraw/zinc/67/53/65/632675365.db2.gz PASPCRFCOCPAPP-OCCSQVGLSA-N 2 1 218.344 2.082 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000235343861 632675362 /nfs/dbraw/zinc/67/53/62/632675362.db2.gz PASPCRFCOCPAPP-OCCSQVGLSA-N 2 1 218.344 2.082 20 0 BEADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CC(C(F)F)C1 ZINC000310033815 632696522 /nfs/dbraw/zinc/69/65/22/632696522.db2.gz SFMCOECMYSZWSK-WHXUTIOJSA-N 2 1 234.334 2.350 20 0 BEADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CC(C(F)F)C1 ZINC000310033815 632696526 /nfs/dbraw/zinc/69/65/26/632696526.db2.gz SFMCOECMYSZWSK-WHXUTIOJSA-N 2 1 234.334 2.350 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000926617398 632710439 /nfs/dbraw/zinc/71/04/39/632710439.db2.gz XXBSATHJSHOBKJ-DRWKLNATSA-N 2 1 234.387 2.105 20 0 BEADMP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)CC[NH2+]1 ZINC000310339639 632723478 /nfs/dbraw/zinc/72/34/78/632723478.db2.gz NRXAQMBWCAOXTI-TUVASFSCSA-N 2 1 234.387 2.273 20 0 BEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000925012921 635848467 /nfs/dbraw/zinc/84/84/67/635848467.db2.gz XSIKXARIZMZJKI-YJNKXOJESA-N 2 1 234.387 2.273 20 0 BEADMP C[N@H+]1CC[C@@]2(CC[NH+](CC3(C)CCC3)C2)C1 ZINC000334907634 636068544 /nfs/dbraw/zinc/06/85/44/636068544.db2.gz SPXRQZVKAWNHIX-CQSZACIVSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@H+](CC3(C)CCC3)C2)C1 ZINC000334907634 636068547 /nfs/dbraw/zinc/06/85/47/636068547.db2.gz SPXRQZVKAWNHIX-CQSZACIVSA-N 2 1 222.376 2.204 20 0 BEADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC3(C)CCC3)C2)C1 ZINC000334907634 636068552 /nfs/dbraw/zinc/06/85/52/636068552.db2.gz SPXRQZVKAWNHIX-CQSZACIVSA-N 2 1 222.376 2.204 20 0 BEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[C@H]1C ZINC000309828961 633788416 /nfs/dbraw/zinc/78/84/16/633788416.db2.gz XZNNYPLXNSLWAC-DGCLKSJQSA-N 2 1 221.348 2.360 20 0 BEADMP CC[C@@H](C[NH2+]C1CCCC1)[NH+]1CCCC1 ZINC000119290730 633810655 /nfs/dbraw/zinc/81/06/55/633810655.db2.gz QSKPDHIPWNJBHI-ZDUSSCGKSA-N 2 1 210.365 2.393 20 0 BEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000925506737 633840335 /nfs/dbraw/zinc/84/03/35/633840335.db2.gz WYTPRBMKELZUHH-AWEZNQCLSA-N 2 1 247.386 2.219 20 0 BEADMP Cc1ccccc1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925508395 633843713 /nfs/dbraw/zinc/84/37/13/633843713.db2.gz GFIIWXUJGGEYOR-OAHLLOKOSA-N 2 1 244.382 2.412 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1CCC1 ZINC000925519705 633878585 /nfs/dbraw/zinc/87/85/85/633878585.db2.gz VJKRRPMQYLDIHA-PBWFPOADSA-N 2 1 222.376 2.106 20 0 BEADMP C[C@H](C1CC1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000930576001 633906467 /nfs/dbraw/zinc/90/64/67/633906467.db2.gz AVXSLDMLKSYHIE-TZMCWYRMSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H](C1CC1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000930576001 633906469 /nfs/dbraw/zinc/90/64/69/633906469.db2.gz AVXSLDMLKSYHIE-TZMCWYRMSA-N 2 1 222.376 2.203 20 0 BEADMP C[C@H](C1CC1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000930576001 633906470 /nfs/dbraw/zinc/90/64/70/633906470.db2.gz AVXSLDMLKSYHIE-TZMCWYRMSA-N 2 1 222.376 2.203 20 0 BEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CC(C(F)F)C1 ZINC000309670066 633987288 /nfs/dbraw/zinc/98/72/88/633987288.db2.gz JMCQRXRLTLHOFB-WHXUTIOJSA-N 2 1 234.334 2.348 20 0 BEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CC(C(F)F)C1 ZINC000309670066 633987291 /nfs/dbraw/zinc/98/72/91/633987291.db2.gz JMCQRXRLTLHOFB-WHXUTIOJSA-N 2 1 234.334 2.348 20 0 BEADMP C[C@@]1(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CCC[NH2+]C1 ZINC000310555054 634160414 /nfs/dbraw/zinc/16/04/14/634160414.db2.gz HUZBXPHKSZYJRG-QLFBSQMISA-N 2 1 236.403 2.498 20 0 BEADMP FC1(F)CCC[C@H]1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925683383 634287576 /nfs/dbraw/zinc/28/75/76/634287576.db2.gz PPQBQHGBKXFKPH-QWRGUYRKSA-N 2 1 244.329 2.296 20 0 BEADMP CN(CC[NH3+])c1cc[nH+]c2cc(Cl)ccc21 ZINC000053663570 634292264 /nfs/dbraw/zinc/29/22/64/634292264.db2.gz MIKLXPWLDFMBTP-UHFFFAOYSA-N 2 1 235.718 2.283 20 0 BEADMP CCC[C@H](C)[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931314033 634333265 /nfs/dbraw/zinc/33/32/65/634333265.db2.gz ISGHWINWCLGHGB-IHRRRGAJSA-N 2 1 224.392 2.449 20 0 BEADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000925774559 635238722 /nfs/dbraw/zinc/23/87/22/635238722.db2.gz WNNGZRVXRSQNSC-GWCFXTLKSA-N 2 1 249.358 2.030 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000094338967 635298748 /nfs/dbraw/zinc/29/87/48/635298748.db2.gz ZMRSGTGXXAFISQ-HIFRSBDPSA-N 2 1 232.371 2.473 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CC[N@@H+]1C ZINC000925143518 636295689 /nfs/dbraw/zinc/29/56/89/636295689.db2.gz QRNOWPHGSKNJHM-QKGCVVFFSA-N 2 1 234.387 2.413 20 0 BEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CC[N@H+]1C ZINC000925143518 636295696 /nfs/dbraw/zinc/29/56/96/636295696.db2.gz QRNOWPHGSKNJHM-QKGCVVFFSA-N 2 1 234.387 2.413 20 0 BEADMP CCO[C@H](C[NH2+][C@H](CC)C(C)(C)C)C[NH+](C)C ZINC000926957731 636970628 /nfs/dbraw/zinc/97/06/28/636970628.db2.gz CRSCIHQMKJPJSN-CHWSQXEVSA-N 2 1 244.423 2.367 20 0 BEADMP CCC[C@H](CC)[NH2+]C[C@H](C[NH+](C)C)OCC ZINC000926957395 636970805 /nfs/dbraw/zinc/97/08/05/636970805.db2.gz AYPVVACTHMEEAH-QWHCGFSZSA-N 2 1 230.396 2.121 20 0 BEADMP CCO[C@@H](C[NH2+][C@H](C)C(C)(C)CC)C[NH+](C)C ZINC000926963095 636974375 /nfs/dbraw/zinc/97/43/75/636974375.db2.gz SGJYLHLTJQHEFD-OLZOCXBDSA-N 2 1 244.423 2.367 20 0 BEADMP CC[N@@H+](CCCCCCC[NH3+])C[C@H]1CCCO1 ZINC000042471409 637269508 /nfs/dbraw/zinc/26/95/08/637269508.db2.gz NHXKLAPBXSOMKM-CQSZACIVSA-N 2 1 242.407 2.397 20 0 BEADMP CC(C)C[N@H+](CC[NH2+]C(C)(C)C)C1CC1 ZINC000042559272 637283946 /nfs/dbraw/zinc/28/39/46/637283946.db2.gz WSIHACKABKPDMB-UHFFFAOYSA-N 2 1 212.381 2.495 20 0 BEADMP CC(C)C[N@@H+](CC[NH2+]C(C)(C)C)C1CC1 ZINC000042559272 637283950 /nfs/dbraw/zinc/28/39/50/637283950.db2.gz WSIHACKABKPDMB-UHFFFAOYSA-N 2 1 212.381 2.495 20 0 BEADMP CNc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000902266768 637288071 /nfs/dbraw/zinc/28/80/71/637288071.db2.gz UHFQBHOHBPMOPX-TZMCWYRMSA-N 2 1 247.386 2.301 20 0 BEADMP C[NH+](C)[C@H](C[NH2+]C1C[C@H]2CCC[C@@H]2C1)C1CC1 ZINC000902754509 637329883 /nfs/dbraw/zinc/32/98/83/637329883.db2.gz DXKMTPSQLBRCEQ-UMVBOHGHSA-N 2 1 236.403 2.495 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902751913 637331098 /nfs/dbraw/zinc/33/10/98/637331098.db2.gz DBDKQPGZXWIPKU-XQLPTFJDSA-N 2 1 236.403 2.497 20 0 BEADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC1(C)C)Cc1ccccc1 ZINC000904461976 637406823 /nfs/dbraw/zinc/40/68/23/637406823.db2.gz NCTVTYDHRWPJFS-ZFWWWQNUSA-N 2 1 246.398 2.453 20 0 BEADMP C[C@@H](C[NH2+][C@@H]1C[NH2+]CC1(C)C)c1ccccc1 ZINC000904464272 637408957 /nfs/dbraw/zinc/40/89/57/637408957.db2.gz XWLBQWPHCJFOMN-GXTWGEPZSA-N 2 1 232.371 2.378 20 0 BEADMP C[C@@]1(C[N@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)CC[NH2+]C1 ZINC000904465274 637409564 /nfs/dbraw/zinc/40/95/64/637409564.db2.gz ZDDOAYMULAFAKJ-JKJDWNRSSA-N 2 1 248.414 2.354 20 0 BEADMP CNc1ccc(C)cc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000904441235 637410134 /nfs/dbraw/zinc/41/01/34/637410134.db2.gz FLDHITPTCBQJBU-ZDUSSCGKSA-N 2 1 249.402 2.467 20 0 BEADMP C[C@H](CC[NH2+]CC1([NH3+])CC1)c1ccccc1 ZINC000904443296 637411538 /nfs/dbraw/zinc/41/15/38/637411538.db2.gz IWPAIWCFFQZFGW-GFCCVEGCSA-N 2 1 218.344 2.261 20 0 BEADMP CCCOc1ccc(C[NH2+]CC2([NH3+])CC2)cc1 ZINC000904449122 637413644 /nfs/dbraw/zinc/41/36/44/637413644.db2.gz FDMDFKKJLUQXMO-UHFFFAOYSA-N 2 1 234.343 2.056 20 0 BEADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1cncs1 ZINC000904469482 637422614 /nfs/dbraw/zinc/42/26/14/637422614.db2.gz NDFPJJLEOPLWPG-VWYCJHECSA-N 2 1 239.388 2.324 20 0 BEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000904476770 637428005 /nfs/dbraw/zinc/42/80/05/637428005.db2.gz RCOJWBJLDCQWQF-UPJWGTAASA-N 2 1 242.432 2.045 20 0 BEADMP CC(C)(C)c1ncc(C[NH2+][C@H]2C[C@H]([NH3+])C2)s1 ZINC000906507610 638178756 /nfs/dbraw/zinc/17/87/56/638178756.db2.gz AYQAYRYDOZQGMK-KYZUINATSA-N 2 1 239.388 2.020 20 0 BEADMP CCCC[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000906530039 638189220 /nfs/dbraw/zinc/18/92/20/638189220.db2.gz WFNUNMZRKDLSOV-UHFFFAOYSA-N 2 1 240.391 2.021 20 0 BEADMP CC[C@@H](CC(F)F)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931281457 640133943 /nfs/dbraw/zinc/13/39/43/640133943.db2.gz SQUBINLSEUIZDF-MEWQQHAOSA-N 2 1 246.345 2.160 20 0 BEADMP CC[C@@H](CC(F)F)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931281457 640133949 /nfs/dbraw/zinc/13/39/49/640133949.db2.gz SQUBINLSEUIZDF-MEWQQHAOSA-N 2 1 246.345 2.160 20 0 BEADMP C[NH+]1C[C@]2(C)C[NH+](CC3CCC3)C[C@@]2(C)C1 ZINC000931306565 640142961 /nfs/dbraw/zinc/14/29/61/640142961.db2.gz BBYAGNWRQLDFOV-ZIAGYGMSSA-N 2 1 222.376 2.060 20 0 BEADMP C[C@H](C1CC1)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931317159 640143358 /nfs/dbraw/zinc/14/33/58/640143358.db2.gz NCYSNCBQMTYIDL-BNOWGMLFSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@H](C1CC1)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931317159 640143363 /nfs/dbraw/zinc/14/33/63/640143363.db2.gz NCYSNCBQMTYIDL-BNOWGMLFSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@H](C1CC1)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931317159 640143368 /nfs/dbraw/zinc/14/33/68/640143368.db2.gz NCYSNCBQMTYIDL-BNOWGMLFSA-N 2 1 222.376 2.059 20 0 BEADMP C[C@H](C1CC1)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931317159 640143370 /nfs/dbraw/zinc/14/33/70/640143370.db2.gz NCYSNCBQMTYIDL-BNOWGMLFSA-N 2 1 222.376 2.059 20 0 BEADMP CC[C@H](C)C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931309851 640147287 /nfs/dbraw/zinc/14/72/87/640147287.db2.gz HFYYONGDMCBAFE-BFHYXJOUSA-N 2 1 224.392 2.306 20 0 BEADMP Cc1ccccc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931430993 640200215 /nfs/dbraw/zinc/20/02/15/640200215.db2.gz UOYJMQVERIFJCB-CVEARBPZSA-N 2 1 244.382 2.379 20 0 BEADMP Cc1ccccc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931430993 640200219 /nfs/dbraw/zinc/20/02/19/640200219.db2.gz UOYJMQVERIFJCB-CVEARBPZSA-N 2 1 244.382 2.379 20 0 BEADMP Cc1ccccc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931430993 640200225 /nfs/dbraw/zinc/20/02/25/640200225.db2.gz UOYJMQVERIFJCB-CVEARBPZSA-N 2 1 244.382 2.379 20 0 BEADMP CC/C=C/CC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435469 640203776 /nfs/dbraw/zinc/20/37/76/640203776.db2.gz DXYOLJINUXRKMC-OOPLNXAUSA-N 2 1 222.376 2.226 20 0 BEADMP CC/C=C/CC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931435469 640203784 /nfs/dbraw/zinc/20/37/84/640203784.db2.gz DXYOLJINUXRKMC-OOPLNXAUSA-N 2 1 222.376 2.226 20 0 BEADMP CC/C=C/CC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931435469 640203791 /nfs/dbraw/zinc/20/37/91/640203791.db2.gz DXYOLJINUXRKMC-OOPLNXAUSA-N 2 1 222.376 2.226 20 0 BEADMP CC(C)CCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439291 640207034 /nfs/dbraw/zinc/20/70/34/640207034.db2.gz TYTVZSGHUYDBGT-UONOGXRCSA-N 2 1 224.392 2.306 20 0 BEADMP CC(C)CCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931439291 640207042 /nfs/dbraw/zinc/20/70/42/640207042.db2.gz TYTVZSGHUYDBGT-UONOGXRCSA-N 2 1 224.392 2.306 20 0 BEADMP CC(C)CCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931439291 640207046 /nfs/dbraw/zinc/20/70/46/640207046.db2.gz TYTVZSGHUYDBGT-UONOGXRCSA-N 2 1 224.392 2.306 20 0 BEADMP CC(C)C[C@@H](C)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517485 640244591 /nfs/dbraw/zinc/24/45/91/640244591.db2.gz JJGRLHJBTLAFHY-LLVKDONJSA-N 2 1 233.359 2.457 20 0 BEADMP CC(C)C[C@@H](C)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517485 640244596 /nfs/dbraw/zinc/24/45/96/640244596.db2.gz JJGRLHJBTLAFHY-LLVKDONJSA-N 2 1 233.359 2.457 20 0 BEADMP CC1CC(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC000931547309 640266324 /nfs/dbraw/zinc/26/63/24/640266324.db2.gz QJTAXPCAYGHPFY-HOAMVYINSA-N 2 1 222.376 2.059 20 0 BEADMP CC1CC(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000931547309 640266330 /nfs/dbraw/zinc/26/63/30/640266330.db2.gz QJTAXPCAYGHPFY-HOAMVYINSA-N 2 1 222.376 2.059 20 0 BEADMP CC1CC(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000931547309 640266335 /nfs/dbraw/zinc/26/63/35/640266335.db2.gz QJTAXPCAYGHPFY-HOAMVYINSA-N 2 1 222.376 2.059 20 0 BEADMP CC1CC(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC000931547309 640266342 /nfs/dbraw/zinc/26/63/42/640266342.db2.gz QJTAXPCAYGHPFY-HOAMVYINSA-N 2 1 222.376 2.059 20 0 BEADMP CC1CC(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC000931547309 640266347 /nfs/dbraw/zinc/26/63/47/640266347.db2.gz QJTAXPCAYGHPFY-HOAMVYINSA-N 2 1 222.376 2.059 20 0 BEADMP C[N@H+]1CC[C@H]2CN(CCCC(C)(F)F)CC[C@@H]21 ZINC000931545661 640266637 /nfs/dbraw/zinc/26/66/37/640266637.db2.gz GGMKZMFRSWBUER-RYUDHWBXSA-N 2 1 246.345 2.448 20 0 BEADMP C[N@@H+]1CC[C@H]2C[NH+](CCCC(C)(F)F)CC[C@@H]21 ZINC000931545661 640266642 /nfs/dbraw/zinc/26/66/42/640266642.db2.gz GGMKZMFRSWBUER-RYUDHWBXSA-N 2 1 246.345 2.448 20 0 BEADMP C[N@H+]1CC[C@H]2C[NH+](CCCC(C)(F)F)CC[C@@H]21 ZINC000931545661 640266647 /nfs/dbraw/zinc/26/66/47/640266647.db2.gz GGMKZMFRSWBUER-RYUDHWBXSA-N 2 1 246.345 2.448 20 0 BEADMP C[NH+]1CC[C@H]2C[N@H+](CCCC(C)(F)F)CC[C@@H]21 ZINC000931545661 640266650 /nfs/dbraw/zinc/26/66/50/640266650.db2.gz GGMKZMFRSWBUER-RYUDHWBXSA-N 2 1 246.345 2.448 20 0 BEADMP C[NH+]1CC[C@H]2C[N@@H+](CCCC(C)(F)F)CC[C@@H]21 ZINC000931545661 640266655 /nfs/dbraw/zinc/26/66/55/640266655.db2.gz GGMKZMFRSWBUER-RYUDHWBXSA-N 2 1 246.345 2.448 20 0 BEADMP C=C/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000931719900 640335688 /nfs/dbraw/zinc/33/56/88/640335688.db2.gz OXKJUMOMJAHRDE-OQOSRZTISA-N 2 1 220.360 2.287 20 0 BEADMP C=C/C=C\CC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000931719900 640335694 /nfs/dbraw/zinc/33/56/94/640335694.db2.gz OXKJUMOMJAHRDE-OQOSRZTISA-N 2 1 220.360 2.287 20 0 BEADMP C=C/C=C\CC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000931719900 640335699 /nfs/dbraw/zinc/33/56/99/640335699.db2.gz OXKJUMOMJAHRDE-OQOSRZTISA-N 2 1 220.360 2.287 20 0 BEADMP C=C/C=C\CC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000931719900 640335702 /nfs/dbraw/zinc/33/57/02/640335702.db2.gz OXKJUMOMJAHRDE-OQOSRZTISA-N 2 1 220.360 2.287 20 0 BEADMP C=C/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000931719900 640335707 /nfs/dbraw/zinc/33/57/07/640335707.db2.gz OXKJUMOMJAHRDE-OQOSRZTISA-N 2 1 220.360 2.287 20 0 BEADMP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931727474 640344310 /nfs/dbraw/zinc/34/43/10/640344310.db2.gz SFXKXSURYOBVGI-OLZOCXBDSA-N 2 1 210.365 2.201 20 0 BEADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931727474 640344312 /nfs/dbraw/zinc/34/43/12/640344312.db2.gz SFXKXSURYOBVGI-OLZOCXBDSA-N 2 1 210.365 2.201 20 0 BEADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931727474 640344316 /nfs/dbraw/zinc/34/43/16/640344316.db2.gz SFXKXSURYOBVGI-OLZOCXBDSA-N 2 1 210.365 2.201 20 0 BEADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931727474 640344317 /nfs/dbraw/zinc/34/43/17/640344317.db2.gz SFXKXSURYOBVGI-OLZOCXBDSA-N 2 1 210.365 2.201 20 0 BEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccoc2)C1 ZINC000163800537 640420947 /nfs/dbraw/zinc/42/09/47/640420947.db2.gz QLPOIASKURAMSY-GFCCVEGCSA-N 2 1 222.332 2.101 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccoc2)C1 ZINC000163800537 640420951 /nfs/dbraw/zinc/42/09/51/640420951.db2.gz QLPOIASKURAMSY-GFCCVEGCSA-N 2 1 222.332 2.101 20 0 BEADMP [NH3+]C1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC000165067110 640529602 /nfs/dbraw/zinc/52/96/02/640529602.db2.gz XQTRYEDKDMUCCT-UHFFFAOYSA-N 2 1 241.338 2.158 20 0 BEADMP C[N@H+]1C[C@@H]2C[NH+](CCC3CCC3)C[C@]2(C)C1 ZINC000933733076 640753257 /nfs/dbraw/zinc/75/32/57/640753257.db2.gz ABUBBACBFMKWGP-KGLIPLIRSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+](CCC3CCC3)C[C@]2(C)C1 ZINC000933733076 640753261 /nfs/dbraw/zinc/75/32/61/640753261.db2.gz ABUBBACBFMKWGP-KGLIPLIRSA-N 2 1 222.376 2.060 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](CCC3CCC3)C[C@]2(C)C1 ZINC000933733076 640753264 /nfs/dbraw/zinc/75/32/64/640753264.db2.gz ABUBBACBFMKWGP-KGLIPLIRSA-N 2 1 222.376 2.060 20 0 BEADMP C[N@H+]1C[C@@H]2C[NH+](CC[C@@H]3C[C@H]3C3CC3)C[C@]2(C)C1 ZINC000933734877 640759661 /nfs/dbraw/zinc/75/96/61/640759661.db2.gz SNGBVJZJJKEDKS-WCVJEAGWSA-N 2 1 248.414 2.306 20 0 BEADMP C[NH+]1C[C@@H]2C[N@H+](CC[C@@H]3C[C@H]3C3CC3)C[C@]2(C)C1 ZINC000933734877 640759669 /nfs/dbraw/zinc/75/96/69/640759669.db2.gz SNGBVJZJJKEDKS-WCVJEAGWSA-N 2 1 248.414 2.306 20 0 BEADMP C[NH+]1C[C@@H]2C[N@@H+](CC[C@@H]3C[C@H]3C3CC3)C[C@]2(C)C1 ZINC000933734877 640759674 /nfs/dbraw/zinc/75/96/74/640759674.db2.gz SNGBVJZJJKEDKS-WCVJEAGWSA-N 2 1 248.414 2.306 20 0 BEADMP Cc1ccccc1C[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000227016441 640808866 /nfs/dbraw/zinc/80/88/66/640808866.db2.gz SSVDUVPVOMMYDF-HIFRSBDPSA-N 2 1 232.371 2.282 20 0 BEADMP Cc1ccc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000227055705 640814350 /nfs/dbraw/zinc/81/43/50/640814350.db2.gz CNATUTXXMAPJHG-DZGCQCFKSA-N 2 1 232.371 2.473 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000227170986 640817005 /nfs/dbraw/zinc/81/70/05/640817005.db2.gz MMMVVORZNAAQQD-RFGFWPKPSA-N 2 1 222.376 2.106 20 0 BEADMP Cc1ccc(C[N@H+](C)C2CCC([NH3+])CC2)cn1 ZINC000228859482 640901267 /nfs/dbraw/zinc/90/12/67/640901267.db2.gz CASOWRSCACPSNN-UHFFFAOYSA-N 2 1 233.359 2.092 20 0 BEADMP CO[C@@H]1C[N@@H+](CCCCCCC[NH3+])CC[C@@H]1C ZINC000230310669 641046659 /nfs/dbraw/zinc/04/66/59/641046659.db2.gz KSNULFSRECTKKI-UONOGXRCSA-N 2 1 242.407 2.252 20 0 BEADMP C[NH2+][C@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC000063145721 641137862 /nfs/dbraw/zinc/13/78/62/641137862.db2.gz UKBSTPCZRXOBFD-BPCQOVAHSA-N 2 1 210.365 2.106 20 0 BEADMP C[NH2+][C@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC000063145721 641137865 /nfs/dbraw/zinc/13/78/65/641137865.db2.gz UKBSTPCZRXOBFD-BPCQOVAHSA-N 2 1 210.365 2.106 20 0 BEADMP C[N@@H+](CCCCCC[NH3+])C[C@H]1CCCCO1 ZINC000042466630 641551422 /nfs/dbraw/zinc/55/14/22/641551422.db2.gz WALCPGYBJJCNAJ-CYBMUJFWSA-N 2 1 228.380 2.006 20 0 BEADMP C[N@@H+](CCCCCCC[NH3+])C[C@H]1CCCCO1 ZINC000042466669 641552699 /nfs/dbraw/zinc/55/26/99/641552699.db2.gz ALJVPGYCBYPJKH-CQSZACIVSA-N 2 1 242.407 2.397 20 0 BEADMP CCC[N@@H+](CCOCC(C)C)C1CC[NH2+]CC1 ZINC000233027562 642645177 /nfs/dbraw/zinc/64/51/77/642645177.db2.gz ULENRJVNMDYMQP-UHFFFAOYSA-N 2 1 242.407 2.123 20 0 BEADMP CC[N@@H+](CC(C)C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000233459995 642672381 /nfs/dbraw/zinc/67/23/81/642672381.db2.gz UBVWLVHWMKHXQM-QWHCGFSZSA-N 2 1 212.381 2.352 20 0 BEADMP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000305925607 642713323 /nfs/dbraw/zinc/71/33/23/642713323.db2.gz CLNBQWTZTQYVEC-NEPJUHHUSA-N 2 1 246.345 2.496 20 0 BEADMP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000305925607 642713324 /nfs/dbraw/zinc/71/33/24/642713324.db2.gz CLNBQWTZTQYVEC-NEPJUHHUSA-N 2 1 246.345 2.496 20 0 BEADMP CC[C@@H](C)C[NH2+]CC[N@H+](C)C1CCCC1 ZINC000070945311 643085877 /nfs/dbraw/zinc/08/58/77/643085877.db2.gz YYOHXZJJSROTDL-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@@H](C)C[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000070945311 643085881 /nfs/dbraw/zinc/08/58/81/643085881.db2.gz YYOHXZJJSROTDL-GFCCVEGCSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@H](C)C[N@@H+](CC)C[C@@H]1C[NH2+]C[C@H]1C ZINC000234007559 643176617 /nfs/dbraw/zinc/17/66/17/643176617.db2.gz YLWOODJKQSKPET-XQQFMLRXSA-N 2 1 212.381 2.210 20 0 BEADMP C[N@@H+](CC1CCCC1)C1CCC([NH3+])CC1 ZINC000082492440 643327033 /nfs/dbraw/zinc/32/70/33/643327033.db2.gz PHNBWXYSAIBFEM-UHFFFAOYSA-N 2 1 210.365 2.378 20 0 BEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCc2cccs2)C1 ZINC000082602426 643353579 /nfs/dbraw/zinc/35/35/79/643353579.db2.gz MLNLMZWHASRVET-GFCCVEGCSA-N 2 1 238.400 2.222 20 0 BEADMP C[NH+](C)[C@@H](C[NH2+]C[C@H]1CC=CCC1)C1CC1 ZINC000121037783 643440205 /nfs/dbraw/zinc/44/02/05/643440205.db2.gz XUGUQUMPOVNVCR-JSGCOSHPSA-N 2 1 222.376 2.273 20 0 BEADMP Cc1cc(C)cc(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000050245547 643661732 /nfs/dbraw/zinc/66/17/32/643661732.db2.gz CWSAHOCOKYKJDB-CYBMUJFWSA-N 2 1 218.344 2.084 20 0 BEADMP CC(C)[N@@H+](CC1CC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085015376 643678541 /nfs/dbraw/zinc/67/85/41/643678541.db2.gz PHBBPLHYVAEASG-OLZOCXBDSA-N 2 1 210.365 2.234 20 0 BEADMP CCc1cnc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000234251798 643687889 /nfs/dbraw/zinc/68/78/89/643687889.db2.gz SOYYJCFXFQPUDN-NXEZZACHSA-N 2 1 239.388 2.065 20 0 BEADMP CC[N@@H+](CC[NH2+]C(C)(C)C)CC1CCC1 ZINC000230311770 643766865 /nfs/dbraw/zinc/76/68/65/643766865.db2.gz ODCBVZPETKXWPH-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP CC[N@H+](CC[NH2+]C(C)(C)C)CC1CCC1 ZINC000230311770 643766861 /nfs/dbraw/zinc/76/68/61/643766861.db2.gz ODCBVZPETKXWPH-UHFFFAOYSA-N 2 1 212.381 2.497 20 0 BEADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000252439459 643808651 /nfs/dbraw/zinc/80/86/51/643808651.db2.gz OZWIZDBLMKUSEG-RWMBFGLXSA-N 2 1 224.392 2.495 20 0 BEADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000252439460 643809039 /nfs/dbraw/zinc/80/90/39/643809039.db2.gz OZWIZDBLMKUSEG-YNEHKIRRSA-N 2 1 224.392 2.495 20 0 BEADMP CCO[C@H](C[NH2+]C1CCCCCC1)C[NH+](C)C ZINC000922758286 644087846 /nfs/dbraw/zinc/08/78/46/644087846.db2.gz ARHONEKIXOCMPV-CQSZACIVSA-N 2 1 242.407 2.266 20 0 BEADMP CC[C@H](C)C[N@@H+](CC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000086440177 644137279 /nfs/dbraw/zinc/13/72/79/644137279.db2.gz LPZOZHPUVBIUSX-XQQFMLRXSA-N 2 1 212.381 2.482 20 0 BEADMP C[N@H+](Cc1ccnc(Cl)c1)CC(C)(C)C[NH3+] ZINC000086638144 644157349 /nfs/dbraw/zinc/15/73/49/644157349.db2.gz VUIQNMBRFUNDQI-UHFFFAOYSA-N 2 1 241.766 2.152 20 0 BEADMP C[N@@H+](Cc1ccnc(Cl)c1)CC(C)(C)C[NH3+] ZINC000086638144 644157354 /nfs/dbraw/zinc/15/73/54/644157354.db2.gz VUIQNMBRFUNDQI-UHFFFAOYSA-N 2 1 241.766 2.152 20 0 BEADMP C[C@](C[NH3+])([NH2+]CCc1cccc(F)c1)C1CC1 ZINC000923295793 644332164 /nfs/dbraw/zinc/33/21/64/644332164.db2.gz HMFZCTPSGLHUPG-CQSZACIVSA-N 2 1 236.334 2.085 20 0 BEADMP CC(C)[N@@H+](CCC[NH2+]C1CC1)C1CCC1 ZINC000923313681 644339813 /nfs/dbraw/zinc/33/98/13/644339813.db2.gz JTXAZRFILCGGDQ-UHFFFAOYSA-N 2 1 210.365 2.391 20 0 BEADMP Fc1cccc(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000923359373 644384983 /nfs/dbraw/zinc/38/49/83/644384983.db2.gz QQKBYKFFMCRZKD-UKRRQHHQSA-N 2 1 248.345 2.052 20 0 BEADMP Fc1cccc(CC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000923359373 644384986 /nfs/dbraw/zinc/38/49/86/644384986.db2.gz QQKBYKFFMCRZKD-UKRRQHHQSA-N 2 1 248.345 2.052 20 0 BEADMP C[C@@H]1CC[C@@H](C)[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000084386256 644422051 /nfs/dbraw/zinc/42/20/51/644422051.db2.gz QWZKGKFWHLKVCX-UPJWGTAASA-N 2 1 210.365 2.106 20 0 BEADMP CC[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000084384847 644423927 /nfs/dbraw/zinc/42/39/27/644423927.db2.gz LSRKSKBSNXYOBT-STQMWFEESA-N 2 1 210.365 2.108 20 0 BEADMP C[C@@H]1CCC(C)(C)[N@H+]1CCC[NH2+]C1CC1 ZINC000923420438 644425566 /nfs/dbraw/zinc/42/55/66/644425566.db2.gz IUWIDPMXXJABRW-LLVKDONJSA-N 2 1 210.365 2.391 20 0 BEADMP C[C@H]1CCCC[C@H]1C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455567 644434649 /nfs/dbraw/zinc/43/46/49/644434649.db2.gz YAAYCYPJVHIZHV-ZQDZILKHSA-N 2 1 236.403 2.497 20 0 BEADMP CCCCCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923459755 644436279 /nfs/dbraw/zinc/43/62/79/644436279.db2.gz FNNQGCXERUFXGN-QWHCGFSZSA-N 2 1 210.365 2.251 20 0 BEADMP CCCCCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923459755 644436283 /nfs/dbraw/zinc/43/62/83/644436283.db2.gz FNNQGCXERUFXGN-QWHCGFSZSA-N 2 1 210.365 2.251 20 0 BEADMP [NH3+]CC[C@@H]1CC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000923480685 644459328 /nfs/dbraw/zinc/45/93/28/644459328.db2.gz ZLRFWHRQACVXHC-NEPJUHHUSA-N 2 1 246.345 2.483 20 0 BEADMP C[C@H](c1ccncc1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500275 644472512 /nfs/dbraw/zinc/47/25/12/644472512.db2.gz NDAXBXDKJAZILY-YRGRVCCFSA-N 2 1 233.359 2.059 20 0 BEADMP C[C@@H](c1cccnc1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923501294 644474762 /nfs/dbraw/zinc/47/47/62/644474762.db2.gz PYLHVKMNDQBUGI-FRRDWIJNSA-N 2 1 233.359 2.059 20 0 BEADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923505095 644475792 /nfs/dbraw/zinc/47/57/92/644475792.db2.gz YEKFYGGMDFKZSR-UKRRQHHQSA-N 2 1 232.371 2.412 20 0 BEADMP C[C@H]1C[N@@H+](Cc2ccccc2F)CC[C@@H]1C[NH3+] ZINC000923504201 644476419 /nfs/dbraw/zinc/47/64/19/644476419.db2.gz PWNHQOLPDZCBNO-NWDGAFQWSA-N 2 1 236.334 2.242 20 0 BEADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CC[C@H]1C[NH3+] ZINC000923503680 644477200 /nfs/dbraw/zinc/47/72/00/644477200.db2.gz KTUJCNZISMZDIP-YPMHNXCESA-N 2 1 236.334 2.242 20 0 BEADMP C[C@@H](c1ccccc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519730 644483612 /nfs/dbraw/zinc/48/36/12/644483612.db2.gz HBBZAEJCEGHSDR-AEGPPILISA-N 2 1 230.355 2.289 20 0 BEADMP C[NH2+]CCC[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000923526682 644484914 /nfs/dbraw/zinc/48/49/14/644484914.db2.gz RXXPNFZSPCABPS-ZIAGYGMSSA-N 2 1 222.376 2.106 20 0 BEADMP C(C1CCC1)[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923533669 644488958 /nfs/dbraw/zinc/48/89/58/644488958.db2.gz MTGZQSZLXGZMRP-ZDUSSCGKSA-N 2 1 208.349 2.005 20 0 BEADMP C(C1CCC1)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923533669 644488964 /nfs/dbraw/zinc/48/89/64/644488964.db2.gz MTGZQSZLXGZMRP-ZDUSSCGKSA-N 2 1 208.349 2.005 20 0 BEADMP Cc1csc(C[N@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000087393678 644495643 /nfs/dbraw/zinc/49/56/43/644495643.db2.gz MOQNBOLSUMYNBP-LLVKDONJSA-N 2 1 239.388 2.012 20 0 BEADMP Cc1cc(N[C@@H]2CCCC[C@H]2C[NH3+])nc(C)[nH+]1 ZINC000089108715 644534450 /nfs/dbraw/zinc/53/44/50/644534450.db2.gz AVCPDMPUIHVCHR-NWDGAFQWSA-N 2 1 234.347 2.023 20 0 BEADMP Cc1cccc(C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)c1 ZINC000089749183 644565209 /nfs/dbraw/zinc/56/52/09/644565209.db2.gz UBJLARHAKPHPCW-AWEZNQCLSA-N 2 1 232.371 2.426 20 0 BEADMP COc1ccccc1C[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000091546095 644629610 /nfs/dbraw/zinc/62/96/10/644629610.db2.gz LZFFWKOXUDKBKW-OCCSQVGLSA-N 2 1 248.370 2.254 20 0 BEADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccoc3)CC[C@@H]21 ZINC000092043555 644646316 /nfs/dbraw/zinc/64/63/16/644646316.db2.gz CLODXPASSMILPV-KGLIPLIRSA-N 2 1 234.343 2.196 20 0 BEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccoc3)CC[C@@H]21 ZINC000092043555 644646320 /nfs/dbraw/zinc/64/63/20/644646320.db2.gz CLODXPASSMILPV-KGLIPLIRSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccoc3)CC[C@@H]21 ZINC000092043555 644646324 /nfs/dbraw/zinc/64/63/24/644646324.db2.gz CLODXPASSMILPV-KGLIPLIRSA-N 2 1 234.343 2.196 20 0 BEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccoc3)CC[C@@H]21 ZINC000092043555 644646326 /nfs/dbraw/zinc/64/63/26/644646326.db2.gz CLODXPASSMILPV-KGLIPLIRSA-N 2 1 234.343 2.196 20 0 BEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccnc1 ZINC000093513265 644693465 /nfs/dbraw/zinc/69/34/65/644693465.db2.gz XYKQCIPMSRYMOP-HIFRSBDPSA-N 2 1 247.386 2.482 20 0 BEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]3CCC[C@@H]32)C1 ZINC000251294420 644800538 /nfs/dbraw/zinc/80/05/38/644800538.db2.gz NZSLPMSNWYSLSQ-DGAVXFQQSA-N 2 1 222.376 2.378 20 0 BEADMP CC[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000251691228 644816625 /nfs/dbraw/zinc/81/66/25/644816625.db2.gz IJTWVYMJHXWYNI-UONOGXRCSA-N 2 1 224.392 2.498 20 0 BEADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC2(CCCC2)C1 ZINC000303390819 644820063 /nfs/dbraw/zinc/82/00/63/644820063.db2.gz BVOKYTCRNLSDCY-CYBMUJFWSA-N 2 1 222.376 2.252 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC2(CCCC2)C1 ZINC000304316928 644889858 /nfs/dbraw/zinc/88/98/58/644889858.db2.gz BRBWPKOHRHSWNH-OLZOCXBDSA-N 2 1 222.376 2.108 20 0 BEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000252754387 644900693 /nfs/dbraw/zinc/90/06/93/644900693.db2.gz BBLMGAFLDVWLFC-YIYPIFLZSA-N 2 1 224.392 2.482 20 0 BEADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ncco1 ZINC000926573492 645291889 /nfs/dbraw/zinc/29/18/89/645291889.db2.gz MFYUWURBPRLIMV-VXGBXAGGSA-N 2 1 237.347 2.057 20 0 BEADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ncco1 ZINC000926573492 645291896 /nfs/dbraw/zinc/29/18/96/645291896.db2.gz MFYUWURBPRLIMV-VXGBXAGGSA-N 2 1 237.347 2.057 20 0 BEADMP CSC1CC([NH2+]CCC[N@@H+](C)CC(C)C)C1 ZINC000926644278 645332284 /nfs/dbraw/zinc/33/22/84/645332284.db2.gz FNLGGVXIHLJIFO-UHFFFAOYSA-N 2 1 244.448 2.448 20 0 BEADMP CCO[C@H](C[NH2+][C@@H]1CCC(C)(C)C1)C[NH+](C)C ZINC000926963903 645502333 /nfs/dbraw/zinc/50/23/33/645502333.db2.gz VUANBVYXTFHPQG-CHWSQXEVSA-N 2 1 242.407 2.121 20 0 BEADMP CC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)OC)[C@H](C)C1 ZINC000866503730 645729403 /nfs/dbraw/zinc/72/94/03/645729403.db2.gz VTACXWYQWOGZQB-OLZOCXBDSA-N 2 1 242.407 2.121 20 0 BEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000925495998 645934665 /nfs/dbraw/zinc/93/46/65/645934665.db2.gz SURJBYNWTJPHEM-AWEZNQCLSA-N 2 1 232.371 2.349 20 0 BEADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccnnc1 ZINC000924583113 646074050 /nfs/dbraw/zinc/07/40/50/646074050.db2.gz WUMCXHPCYSXSTR-CYBMUJFWSA-N 2 1 248.374 2.003 20 0 BEADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccns2)C1 ZINC000924704449 646093815 /nfs/dbraw/zinc/09/38/15/646093815.db2.gz DTFJLYTWIHTOAC-MNOVXSKESA-N 2 1 239.388 2.136 20 0 BEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccns2)C1 ZINC000924704449 646093816 /nfs/dbraw/zinc/09/38/16/646093816.db2.gz DTFJLYTWIHTOAC-MNOVXSKESA-N 2 1 239.388 2.136 20 0 BEADMP C[C@@H]1CC[C@@H](C)C1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000925010285 646157286 /nfs/dbraw/zinc/15/72/86/646157286.db2.gz MESAGLRAYCBHOC-UPJWGTAASA-N 2 1 224.392 2.352 20 0 BEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000925490778 646298674 /nfs/dbraw/zinc/29/86/74/646298674.db2.gz OVTRTVVBCCDVPG-JSGCOSHPSA-N 2 1 230.355 2.056 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000929783372 646311417 /nfs/dbraw/zinc/31/14/17/646311417.db2.gz PYFLYORFLATQHM-CRWXNKLISA-N 2 1 224.392 2.447 20 0 BEADMP CC[C@@H]1C[C@H]1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000929783372 646311418 /nfs/dbraw/zinc/31/14/18/646311418.db2.gz PYFLYORFLATQHM-CRWXNKLISA-N 2 1 224.392 2.447 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000929783372 646311425 /nfs/dbraw/zinc/31/14/25/646311425.db2.gz PYFLYORFLATQHM-CRWXNKLISA-N 2 1 224.392 2.447 20 0 BEADMP CC[C@@H]1C[C@H]1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000929783372 646311434 /nfs/dbraw/zinc/31/14/34/646311434.db2.gz PYFLYORFLATQHM-CRWXNKLISA-N 2 1 224.392 2.447 20 0 BEADMP CCO[C@H](CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C)C(C)C ZINC000925525550 646317346 /nfs/dbraw/zinc/31/73/46/646317346.db2.gz DACPRFZOXPYGMT-MGPQQGTHSA-N 2 1 242.407 2.168 20 0 BEADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccncc1 ZINC000925543556 646325065 /nfs/dbraw/zinc/32/50/65/646325065.db2.gz VTPZBXDDOHGRPW-JSGCOSHPSA-N 2 1 245.370 2.059 20 0 BEADMP Cc1cccc(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)c1 ZINC000925547521 646326589 /nfs/dbraw/zinc/32/65/89/646326589.db2.gz OXBNEQJOBRPQCI-CQSZACIVSA-N 2 1 232.371 2.268 20 0 BEADMP CO[C@H](C)CCN[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925565430 646338000 /nfs/dbraw/zinc/33/80/00/646338000.db2.gz RBELTDUJQACHDT-DYEKYZERSA-N 2 1 236.359 2.090 20 0 BEADMP CC(C)(C)SCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925584623 646347030 /nfs/dbraw/zinc/34/70/30/646347030.db2.gz QCSZFEJEVMTGAS-NSHDSACASA-N 2 1 242.432 2.392 20 0 BEADMP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)o1 ZINC000925606142 646356909 /nfs/dbraw/zinc/35/69/09/646356909.db2.gz LXPPMICQOZAVJM-CYBMUJFWSA-N 2 1 234.343 2.005 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC12CCC(CC1)C2 ZINC000925624748 646369726 /nfs/dbraw/zinc/36/97/26/646369726.db2.gz BDHUVYZRFOTMFO-RJZJGCCBSA-N 2 1 222.376 2.297 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC12CCC(CC1)C2 ZINC000925624747 646370204 /nfs/dbraw/zinc/37/02/04/646370204.db2.gz BDHUVYZRFOTMFO-NELGMTEASA-N 2 1 222.376 2.297 20 0 BEADMP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCCCS1 ZINC000925636573 646379326 /nfs/dbraw/zinc/37/93/26/646379326.db2.gz YFPAHNUKKVNKGQ-NWDGAFQWSA-N 2 1 240.416 2.146 20 0 BEADMP CC[C@H](CSC)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925636923 646379347 /nfs/dbraw/zinc/37/93/47/646379347.db2.gz WBMMZTKPVNHKSK-GHMZBOCLSA-N 2 1 228.405 2.002 20 0 BEADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000925651476 646391950 /nfs/dbraw/zinc/39/19/50/646391950.db2.gz DGYWOMVWZAJFQP-GHMZBOCLSA-N 2 1 208.349 2.049 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000925656861 646394069 /nfs/dbraw/zinc/39/40/69/646394069.db2.gz QBEZWZBPIRYUCL-DCAQKATOSA-N 2 1 232.318 2.152 20 0 BEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000925666717 646398974 /nfs/dbraw/zinc/39/89/74/646398974.db2.gz QNNKUJMNQWXRAE-DTWKUNHWSA-N 2 1 238.297 2.305 20 0 BEADMP COCC(C)(C)CCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925673401 646402330 /nfs/dbraw/zinc/40/23/30/646402330.db2.gz NXENTNTUHQFPMD-QWHCGFSZSA-N 2 1 242.407 2.169 20 0 BEADMP CCC[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)OC ZINC000925679665 646407837 /nfs/dbraw/zinc/40/78/37/646407837.db2.gz KMYUDHQXVALUHU-OLZOCXBDSA-N 2 1 240.391 2.066 20 0 BEADMP C[C@@H]([NH2+]Cc1cscc1Cl)[C@@H]1CC[NH2+]C1 ZINC000925769436 646465889 /nfs/dbraw/zinc/46/58/89/646465889.db2.gz CRDUXSNVNOPAAZ-RKDXNWHRSA-N 2 1 244.791 2.489 20 0 BEADMP C[C@H]([NH2+]Cc1cscc1Cl)[C@@H]1CC[NH2+]C1 ZINC000925769433 646467040 /nfs/dbraw/zinc/46/70/40/646467040.db2.gz CRDUXSNVNOPAAZ-DTWKUNHWSA-N 2 1 244.791 2.489 20 0 BEADMP C[C@H]([NH2+]C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C)c1c[nH+]ccc1N ZINC000925773444 646473149 /nfs/dbraw/zinc/47/31/49/646473149.db2.gz NSCJXQKZLTWAFZ-MOLYVOAJSA-N 2 1 245.370 2.437 20 0 BEADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925782813 646479659 /nfs/dbraw/zinc/47/96/59/646479659.db2.gz ARNLUHDZNWXLST-BZPMIXESSA-N 2 1 247.386 2.150 20 0 BEADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000925784090 646480769 /nfs/dbraw/zinc/48/07/69/646480769.db2.gz PLHUJDZAQMTXFV-UHOFOFEASA-N 2 1 244.382 2.205 20 0 BEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@]12C[C@H]1CCCC2 ZINC000925799670 646487513 /nfs/dbraw/zinc/48/75/13/646487513.db2.gz AYFBITNJUFWFPN-MQYQWHSLSA-N 2 1 222.376 2.154 20 0 BEADMP c1ccc(C2(CC[NH2+][C@H]3CC[NH2+]C3)CC2)cc1 ZINC000925804495 646489157 /nfs/dbraw/zinc/48/91/57/646489157.db2.gz IMQRGPUYEQZYJR-AWEZNQCLSA-N 2 1 230.355 2.060 20 0 BEADMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccns1 ZINC000925811907 646489835 /nfs/dbraw/zinc/48/98/35/646489835.db2.gz FWOJXWRTHRWPNN-VHSXEESVSA-N 2 1 248.355 2.005 20 0 BEADMP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccccn1 ZINC000925847853 646510185 /nfs/dbraw/zinc/51/01/85/646510185.db2.gz YXORMBZESRQQEH-NWANDNLSSA-N 2 1 245.370 2.264 20 0 BEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)CCS1 ZINC000925855542 646511611 /nfs/dbraw/zinc/51/16/11/646511611.db2.gz CQBYPLJGHDSAMS-WRWGMCAJSA-N 2 1 228.405 2.001 20 0 BEADMP CCC[C@H](O)CC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000925856610 646511641 /nfs/dbraw/zinc/51/16/41/646511641.db2.gz JZFANHMKYTZZQQ-NILFDRSVSA-N 2 1 248.370 2.272 20 0 BEADMP C[C@@H]([NH2+]C[C@]12C[C@H]1CCC2)c1c[nH+]ccc1N ZINC000925881075 646531696 /nfs/dbraw/zinc/53/16/96/646531696.db2.gz QVCRVAXEVDOYHV-GYSYKLTISA-N 2 1 231.343 2.335 20 0 BEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC1(C)C ZINC000926421138 646634217 /nfs/dbraw/zinc/63/42/17/646634217.db2.gz LBWXKOSAVDAEPY-DAAZQVBGSA-N 2 1 222.376 2.105 20 0 BEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000926451169 646642146 /nfs/dbraw/zinc/64/21/46/646642146.db2.gz WRCBVUJKTZVIRO-UONOGXRCSA-N 2 1 249.402 2.331 20 0 BEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000926451169 646642150 /nfs/dbraw/zinc/64/21/50/646642150.db2.gz WRCBVUJKTZVIRO-UONOGXRCSA-N 2 1 249.402 2.331 20 0 BEADMP C[C@@H]1CCC[N@H+](CCCC(C)(F)F)[C@H]1C[NH3+] ZINC000718574270 711661318 /nfs/dbraw/zinc/66/13/18/711661318.db2.gz YZBSOVJMEVGMLJ-MNOVXSKESA-N 2 1 234.334 2.481 20 0 BEADMP C[C@@H]1CCC[N@@H+](CCCC(C)(F)F)[C@H]1C[NH3+] ZINC000718574270 711661320 /nfs/dbraw/zinc/66/13/20/711661320.db2.gz YZBSOVJMEVGMLJ-MNOVXSKESA-N 2 1 234.334 2.481 20 0 BEADMP C[C@H]1CCC[N@H+](CCCC(C)(F)F)[C@H]1C[NH3+] ZINC000718574283 711660966 /nfs/dbraw/zinc/66/09/66/711660966.db2.gz YZBSOVJMEVGMLJ-QWRGUYRKSA-N 2 1 234.334 2.481 20 0 BEADMP C[C@H]1CCC[N@@H+](CCCC(C)(F)F)[C@H]1C[NH3+] ZINC000718574283 711660967 /nfs/dbraw/zinc/66/09/67/711660967.db2.gz YZBSOVJMEVGMLJ-QWRGUYRKSA-N 2 1 234.334 2.481 20 0 BEADMP C[N@@H+](C[C@@]1(C)CCC[NH2+]C1)C1CC(C)(C)C1 ZINC000395458740 711694653 /nfs/dbraw/zinc/69/46/53/711694653.db2.gz DCXKFVCCBOJNGD-AWEZNQCLSA-N 2 1 224.392 2.497 20 0 BEADMP COC[C@H](C[N@@H+](C)C1CCC([NH3+])CC1)C(C)C ZINC000721911905 711917540 /nfs/dbraw/zinc/91/75/40/711917540.db2.gz LCPSIWXHPIMSER-HSBZDZAISA-N 2 1 242.407 2.107 20 0 BEADMP COC[C@H](C[N@H+]1CCCC[C@@H]1CC[NH3+])C(C)C ZINC000721959268 711948147 /nfs/dbraw/zinc/94/81/47/711948147.db2.gz HGMRSTZDTFIJAJ-UONOGXRCSA-N 2 1 242.407 2.108 20 0 BEADMP CCC[N@@H+](CC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000703806157 712089268 /nfs/dbraw/zinc/08/92/68/712089268.db2.gz ODIIGJCTBHQGMW-YHWZYXNKSA-N 2 1 210.365 2.249 20 0 BEADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CC(SC)C2)C1 ZINC000706816644 712156580 /nfs/dbraw/zinc/15/65/80/712156580.db2.gz RRMSDNBDIIMBKN-PNESKVBLSA-N 2 1 242.432 2.202 20 0 BEADMP CSC1CC([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000706920675 712160842 /nfs/dbraw/zinc/16/08/42/712160842.db2.gz XJZQLFJWWPIFQW-PNESKVBLSA-N 2 1 242.432 2.200 20 0 BEADMP CC1(C)CO[C@@H](C[N@H+]2CCCC[C@H]2CC[NH3+])C1 ZINC000708326001 712187588 /nfs/dbraw/zinc/18/75/88/712187588.db2.gz ZBTPOEPRXBBSNA-QWHCGFSZSA-N 2 1 240.391 2.005 20 0 BEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)C(C)(F)F ZINC000711245140 712291174 /nfs/dbraw/zinc/29/11/74/712291174.db2.gz JRDVKEQCLGZEKO-NXEZZACHSA-N 2 1 234.334 2.398 20 0 BEADMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CCS1 ZINC000379545346 712387806 /nfs/dbraw/zinc/38/78/06/712387806.db2.gz YOWUKECNSUZYDY-OLZOCXBDSA-N 2 1 242.432 2.204 20 0 BEADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC000714375217 712484318 /nfs/dbraw/zinc/48/43/18/712484318.db2.gz SEHQGDIAUYSEIS-GXTWGEPZSA-N 2 1 240.391 2.005 20 0 BEADMP CC1(C)CCC[C@H](C[N@H+]2CCC[C@@H](C[NH3+])C2)O1 ZINC000714373037 712484345 /nfs/dbraw/zinc/48/43/45/712484345.db2.gz BDIZJUPVVNTPEK-QWHCGFSZSA-N 2 1 240.391 2.005 20 0 BEADMP CC1(C)CCC[C@@H](C[N@H+]2CCC[C@H](C[NH3+])C2)O1 ZINC000714373033 712484353 /nfs/dbraw/zinc/48/43/53/712484353.db2.gz BDIZJUPVVNTPEK-OLZOCXBDSA-N 2 1 240.391 2.005 20 0 BEADMP C[N@H+](C[C@@H]1CCCC(C)(C)O1)[C@@H](C[NH3+])C1CC1 ZINC000714373450 712484456 /nfs/dbraw/zinc/48/44/56/712484456.db2.gz CXAFSIVWBPHYQF-STQMWFEESA-N 2 1 240.391 2.003 20 0 BEADMP C[N@@H+](C[C@@H]1CCCC(C)(C)O1)[C@@H](C[NH3+])C1CC1 ZINC000714373450 712484457 /nfs/dbraw/zinc/48/44/57/712484457.db2.gz CXAFSIVWBPHYQF-STQMWFEESA-N 2 1 240.391 2.003 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccns1 ZINC000716045890 712548079 /nfs/dbraw/zinc/54/80/79/712548079.db2.gz FFIGPHDYTHLILG-GHMZBOCLSA-N 2 1 239.388 2.136 20 0 BEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccns1 ZINC000716045890 712548080 /nfs/dbraw/zinc/54/80/80/712548080.db2.gz FFIGPHDYTHLILG-GHMZBOCLSA-N 2 1 239.388 2.136 20 0 BEADMP C[NH+]1CCC([NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)CC1 ZINC000717061230 712626482 /nfs/dbraw/zinc/62/64/82/712626482.db2.gz FEANRMHDKNZLIN-OBJOEFQTSA-N 2 1 222.376 2.106 20 0 BEADMP CCCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000037484314 712650799 /nfs/dbraw/zinc/65/07/99/712650799.db2.gz GALKURQDIPGZHO-CHWSQXEVSA-N 2 1 212.381 2.497 20 0 BEADMP CC(F)(F)CCC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000718631669 712773895 /nfs/dbraw/zinc/77/38/95/712773895.db2.gz FLGQDLDHHFHSJG-TXEJJXNPSA-N 2 1 246.345 2.353 20 0 BEADMP CC(F)(F)CCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000718571331 712775223 /nfs/dbraw/zinc/77/52/23/712775223.db2.gz MYEXYWJTICATEZ-GHMZBOCLSA-N 2 1 232.318 2.106 20 0 BEADMP CC(F)(F)CCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000718571331 712775225 /nfs/dbraw/zinc/77/52/25/712775225.db2.gz MYEXYWJTICATEZ-GHMZBOCLSA-N 2 1 232.318 2.106 20 0 BEADMP